data_nef_c15547_2jx5 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 LEU middle . . 3 A 3 VAL middle . . 4 A 4 ILE middle . . 5 A 5 VAL middle . . 6 A 6 ARG middle . . 7 A 7 LEU middle . . 8 A 8 GLN middle . . 9 A 9 ASP middle . . 10 A 10 GLN middle . . 11 A 11 THR middle . . 12 A 12 LEU middle . . 13 A 13 PRO middle . false 14 A 14 PHE middle . . 15 A 15 GLU middle . . 16 A 16 LEU middle . . 17 A 17 PRO middle . false 18 A 18 ALA middle . . 19 A 19 GLY middle . false 20 A 20 ALA middle . . 21 A 21 ARG middle . . 22 A 22 ALA middle . . 23 A 23 SER middle . . 24 A 24 GLN middle . . 25 A 25 LEU middle . . 26 A 26 SER middle . . 27 A 27 ASN middle . . 28 A 28 LEU middle . . 29 A 29 LEU middle . . 30 A 30 SER middle . . 31 A 31 SER middle . . 32 A 32 SER middle . . 33 A 33 GLY middle . false 34 A 34 MET middle . . 35 A 35 ALA middle . . 36 A 36 PHE middle . . 37 A 37 SER middle . . 38 A 38 LEU middle . . 39 A 39 HIS middle . . 40 A 40 THR middle . . 41 A 41 GLN middle . . 42 A 42 GLY middle . false 43 A 43 ARG middle . . 44 A 44 VAL middle . . 45 A 45 LEU middle . . 46 A 46 SER middle . . 47 A 47 GLU middle . . 48 A 48 ALA middle . . 49 A 49 ALA middle . . 50 A 50 GLU middle . . 51 A 51 LEU middle . . 52 A 52 ASN middle . . 53 A 53 ASP middle . . 54 A 54 LYS middle . . 55 A 55 MET middle . . 56 A 56 VAL middle . . 57 A 57 ILE middle . . 58 A 58 ASP middle . . 59 A 59 ALA middle . . 60 A 60 PHE middle . . 61 A 61 VAL middle . . 62 A 62 PRO middle . false 63 A 63 ALA middle . . 64 A 64 ASP middle . . 65 A 65 GLY middle . false 66 A 66 ALA middle . . 67 A 67 GLY middle . false 68 A 68 LEU middle . . 69 A 69 GLU 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 1 MET H1 H 1 9.288 0.000 A 1 MET HA H 1 4.696 0.000 A 1 MET HBx H 1 1.844 0.000 A 1 MET HBy H 1 1.844 0.000 A 1 MET HE% H 1 1.994 0.000 A 1 MET HGy H 1 2.273 0.000 A 1 MET HGx H 1 2.193 0.000 A 1 MET C C 13 172.604 0.000 A 1 MET CA C 13 54.324 0.000 A 1 MET CB C 13 35.869 0.000 A 1 MET CE C 13 17.460 0.000 A 1 MET CG C 13 30.557 0.000 A 1 MET N N 15 120.420 0.000 A 2 LEU H H 1 9.099 0.000 A 2 LEU HA H 1 5.183 0.000 A 2 LEU HBy H 1 1.746 0.000 A 2 LEU HBx H 1 1.446 0.000 A 2 LEU HD1% H 1 0.823 0.000 A 2 LEU HD2% H 1 0.827 0.000 A 2 LEU C C 13 176.031 0.000 A 2 LEU CA C 13 53.682 0.000 A 2 LEU CB C 13 43.994 0.000 A 2 LEU CD1 C 13 23.687 0.000 A 2 LEU CD2 C 13 25.250 0.000 A 2 LEU N N 15 125.441 0.000 A 3 VAL H H 1 9.070 0.000 A 3 VAL HA H 1 4.720 0.000 A 3 VAL HB H 1 1.968 0.000 A 3 VAL HG1% H 1 0.888 0.000 A 3 VAL HG2% H 1 0.876 0.000 A 3 VAL C C 13 173.653 0.000 A 3 VAL CA C 13 59.935 0.000 A 3 VAL CB C 13 34.312 0.000 A 3 VAL CG1 C 13 22.119 0.000 A 3 VAL CG2 C 13 20.875 0.000 A 3 VAL N N 15 123.079 0.000 A 4 ILE H H 1 8.552 0.000 A 4 ILE HA H 1 4.530 0.000 A 4 ILE HB H 1 1.896 0.000 A 4 ILE HD1% H 1 0.702 0.000 A 4 ILE HG1y H 1 1.364 0.000 A 4 ILE HG1x H 1 1.131 0.000 A 4 ILE HG2% H 1 0.722 0.000 A 4 ILE C C 13 174.344 0.000 A 4 ILE CA C 13 59.313 0.000 A 4 ILE CB C 13 38.999 0.000 A 4 ILE CD1 C 13 11.813 0.000 A 4 ILE CG1 C 13 27.434 0.000 A 4 ILE CG2 C 13 18.375 0.000 A 4 ILE N N 15 124.929 0.000 A 5 VAL H H 1 8.911 0.000 A 5 VAL HA H 1 4.968 0.000 A 5 VAL HB H 1 2.301 0.000 A 5 VAL HG1% H 1 0.739 0.000 A 5 VAL HG2% H 1 0.910 0.000 A 5 VAL C C 13 174.722 0.000 A 5 VAL CA C 13 60.247 0.000 A 5 VAL CB C 13 33.369 0.000 A 5 VAL CG1 C 13 21.813 0.000 A 5 VAL CG2 C 13 23.375 0.000 A 5 VAL N N 15 127.032 0.000 A 6 ARG H H 1 9.417 0.000 A 6 ARG HA H 1 4.945 0.000 A 6 ARG HBy H 1 1.993 0.000 A 6 ARG HBx H 1 1.792 0.000 A 6 ARG HDx H 1 3.130 0.000 A 6 ARG HDy H 1 3.130 0.000 A 6 ARG HE H 1 7.532 0.000 A 6 ARG HGx H 1 1.506 0.000 A 6 ARG HGy H 1 1.506 0.000 A 6 ARG C C 13 174.662 0.000 A 6 ARG CA C 13 55.557 0.000 A 6 ARG CB C 13 30.557 0.000 A 6 ARG CD C 13 43.369 0.000 A 6 ARG CG C 13 27.119 0.000 A 6 ARG N N 15 127.895 0.000 A 6 ARG NE N 15 84.480 0.000 A 7 LEU H H 1 8.368 0.000 A 7 LEU HA H 1 4.761 0.000 A 7 LEU HBy H 1 1.715 0.000 A 7 LEU HBx H 1 1.305 0.000 A 7 LEU HD1% H 1 0.687 0.000 A 7 LEU HD2% H 1 0.695 0.000 A 7 LEU HG H 1 0.862 0.000 A 7 LEU C C 13 175.869 0.000 A 7 LEU CA C 13 53.682 0.000 A 7 LEU CB C 13 43.994 0.000 A 7 LEU CD1 C 13 24.937 0.000 A 7 LEU CD2 C 13 25.562 0.000 A 7 LEU N N 15 127.357 0.000 A 8 GLN H H 1 9.244 0.000 A 8 GLN HA H 1 3.825 0.000 A 8 GLN HBy H 1 2.268 0.000 A 8 GLN HBx H 1 2.140 0.000 A 8 GLN HGx H 1 2.386 0.000 A 8 GLN HGy H 1 2.386 0.000 A 8 GLN C C 13 175.478 0.000 A 8 GLN CA C 13 58.372 0.000 A 8 GLN CB C 13 27.125 0.000 A 8 GLN CG C 13 34.000 0.000 A 8 GLN N N 15 123.025 0.000 A 9 ASP H H 1 8.622 0.000 A 9 ASP HA H 1 4.609 0.000 A 9 ASP HBx H 1 2.786 0.000 A 9 ASP HBy H 1 2.786 0.000 A 9 ASP C C 13 175.352 0.000 A 9 ASP CA C 13 54.619 0.000 A 9 ASP CB C 13 40.576 0.000 A 9 ASP N N 15 117.207 0.000 A 10 GLN H H 1 7.972 0.000 A 10 GLN HA H 1 4.644 0.000 A 10 GLN HBx H 1 2.093 0.000 A 10 GLN HBy H 1 2.093 0.000 A 10 GLN HGx H 1 2.322 0.000 A 10 GLN HGy H 1 2.322 0.000 A 10 GLN C C 13 174.812 0.000 A 10 GLN CA C 13 54.932 0.000 A 10 GLN CB C 13 31.807 0.000 A 10 GLN CG C 13 33.682 0.000 A 10 GLN N N 15 118.451 0.000 A 11 THR H H 1 8.593 0.000 A 11 THR HA H 1 4.874 0.000 A 11 THR HB H 1 3.911 0.000 A 11 THR HG2% H 1 1.000 0.000 A 11 THR C C 13 173.521 0.000 A 11 THR CA C 13 61.810 0.000 A 11 THR CB C 13 69.934 0.000 A 11 THR CG2 C 13 22.125 0.000 A 11 THR N N 15 118.464 0.000 A 12 LEU H H 1 9.554 0.000 A 12 LEU HA H 1 4.872 0.000 A 12 LEU HBy H 1 1.805 0.000 A 12 LEU HBx H 1 1.238 0.000 A 12 LEU HD1% H 1 0.846 0.000 A 12 LEU HD2% H 1 0.831 0.000 A 12 LEU CA C 13 51.494 0.000 A 12 LEU CB C 13 44.932 0.000 A 12 LEU CD1 C 13 25.557 0.000 A 12 LEU CD2 C 13 23.682 0.000 A 12 LEU N N 15 128.567 0.000 A 13 PRO HA H 1 5.141 0.000 A 13 PRO HBy H 1 2.008 0.000 A 13 PRO HBx H 1 1.801 0.000 A 13 PRO HDy H 1 3.709 0.000 A 13 PRO HDx H 1 3.646 0.000 A 13 PRO HGy H 1 1.987 0.000 A 13 PRO HGx H 1 1.872 0.000 A 13 PRO C C 13 176.800 0.000 A 13 PRO CA C 13 60.869 0.000 A 13 PRO CB C 13 32.119 0.000 A 13 PRO CD C 13 50.244 0.000 A 13 PRO CG C 13 27.432 0.000 A 14 PHE H H 1 9.302 0.000 A 14 PHE HA H 1 4.622 0.000 A 14 PHE HBx H 1 2.649 0.000 A 14 PHE HBy H 1 2.649 0.000 A 14 PHE HDx H 1 7.144 0.000 A 14 PHE HDy H 1 7.144 0.000 A 14 PHE HEx H 1 7.073 0.000 A 14 PHE HEy H 1 7.073 0.000 A 14 PHE C C 13 173.677 0.000 A 14 PHE CA C 13 57.747 0.000 A 14 PHE CB C 13 42.749 0.000 A 14 PHE N N 15 121.778 0.000 A 15 GLU H H 1 8.516 0.000 A 15 GLU HA H 1 5.260 0.000 A 15 GLU HBy H 1 1.924 0.000 A 15 GLU HBx H 1 1.852 0.000 A 15 GLU HGy H 1 2.185 0.000 A 15 GLU HGx H 1 2.038 0.000 A 15 GLU C C 13 175.821 0.000 A 15 GLU CA C 13 54.932 0.000 A 15 GLU CB C 13 30.244 0.000 A 15 GLU CG C 13 36.494 0.000 A 15 GLU N N 15 123.002 0.000 A 16 LEU H H 1 8.937 0.000 A 16 LEU HA H 1 4.952 0.000 A 16 LEU HBx H 1 1.250 0.000 A 16 LEU HBy H 1 1.250 0.000 A 16 LEU HD1% H 1 0.829 0.000 A 16 LEU HD2% H 1 0.800 0.000 A 16 LEU HG H 1 1.392 0.000 A 16 LEU CA C 13 51.494 0.000 A 16 LEU CB C 13 44.941 0.000 A 16 LEU CD1 C 13 23.682 0.000 A 16 LEU CD2 C 13 23.994 0.000 A 16 LEU CG C 13 23.940 0.000 A 16 LEU N N 15 126.803 0.000 A 17 PRO HA H 1 4.547 0.000 A 17 PRO HBy H 1 2.328 0.000 A 17 PRO HBx H 1 1.905 0.000 A 17 PRO HDy H 1 3.790 0.000 A 17 PRO HDx H 1 3.440 0.000 A 17 PRO HGx H 1 2.015 0.000 A 17 PRO HGy H 1 2.015 0.000 A 17 PRO C C 13 175.472 0.000 A 17 PRO CA C 13 62.119 0.000 A 17 PRO CB C 13 32.119 0.000 A 17 PRO CD C 13 50.244 0.000 A 17 PRO CG C 13 27.432 0.000 A 18 ALA H H 1 7.892 0.000 A 18 ALA HA H 1 4.065 0.000 A 18 ALA HB% H 1 1.253 0.000 A 18 ALA C C 13 178.735 0.000 A 18 ALA CA C 13 53.060 0.000 A 18 ALA CB C 13 18.063 0.000 A 18 ALA N N 15 121.997 0.000 A 19 GLY H H 1 8.519 0.000 A 19 GLY HAx H 1 3.754 0.000 A 19 GLY HAy H 1 4.066 0.000 A 19 GLY C C 13 174.376 0.000 A 19 GLY CA C 13 44.625 0.000 A 19 GLY N N 15 110.335 0.000 A 20 ALA H H 1 7.459 0.000 A 20 ALA HA H 1 4.210 0.000 A 20 ALA HB% H 1 1.360 0.000 A 20 ALA C C 13 176.171 0.000 A 20 ALA CA C 13 52.751 0.000 A 20 ALA CB C 13 20.563 0.000 A 20 ALA N N 15 121.746 0.000 A 21 ARG H H 1 8.148 0.000 A 21 ARG HA H 1 5.132 0.000 A 21 ARG HBy H 1 1.957 0.000 A 21 ARG HBx H 1 1.765 0.000 A 21 ARG HDx H 1 3.135 0.000 A 21 ARG HDy H 1 3.135 0.000 A 21 ARG HGy H 1 1.608 0.000 A 21 ARG HGx H 1 1.598 0.000 A 21 ARG C C 13 178.292 0.000 A 21 ARG CA C 13 53.369 0.000 A 21 ARG CB C 13 32.921 0.000 A 21 ARG CD C 13 43.057 0.000 A 21 ARG CG C 13 27.430 0.000 A 21 ARG N N 15 118.121 0.000 A 22 ALA H H 1 8.867 0.000 A 22 ALA HA H 1 3.799 0.000 A 22 ALA HB% H 1 1.467 0.000 A 22 ALA C C 13 178.735 0.000 A 22 ALA CA C 13 55.872 0.000 A 22 ALA CB C 13 18.375 0.000 A 22 ALA N N 15 123.186 0.000 A 23 SER H H 1 8.383 0.000 A 23 SER HA H 1 4.205 0.000 A 23 SER HBx H 1 3.957 0.000 A 23 SER HBy H 1 3.957 0.000 A 23 SER C C 13 176.754 0.000 A 23 SER CA C 13 60.557 0.000 A 23 SER CB C 13 61.807 0.000 A 23 SER N N 15 111.612 0.000 A 24 GLN H H 1 7.744 0.000 A 24 GLN HA H 1 4.173 0.000 A 24 GLN HBy H 1 2.354 0.000 A 24 GLN HBx H 1 2.113 0.000 A 24 GLN HGy H 1 2.438 0.000 A 24 GLN HGx H 1 2.359 0.000 A 24 GLN C C 13 178.689 0.000 A 24 GLN CA C 13 58.682 0.000 A 24 GLN CB C 13 28.682 0.000 A 24 GLN CG C 13 35.244 0.000 A 24 GLN N N 15 121.537 0.000 A 25 LEU H H 1 7.199 0.000 A 25 LEU HA H 1 3.970 0.000 A 25 LEU HBy H 1 1.822 0.000 A 25 LEU HBx H 1 1.210 0.000 A 25 LEU HD1% H 1 0.356 0.000 A 25 LEU HD2% H 1 0.603 0.000 A 25 LEU HG H 1 1.214 0.000 A 25 LEU C C 13 177.966 0.000 A 25 LEU CA C 13 56.810 0.000 A 25 LEU CB C 13 41.494 0.000 A 25 LEU CD1 C 13 22.750 0.000 A 25 LEU CD2 C 13 26.500 0.000 A 25 LEU CG C 13 26.807 0.000 A 25 LEU N N 15 119.709 0.000 A 26 SER H H 1 8.650 0.000 A 26 SER HA H 1 3.970 0.000 A 26 SER HBx H 1 3.957 0.000 A 26 SER HBy H 1 3.957 0.000 A 26 SER C C 13 176.917 0.000 A 26 SER CA C 13 62.744 0.000 A 26 SER CB C 13 62.119 0.000 A 26 SER N N 15 114.988 0.000 A 27 ASN H H 1 7.876 0.000 A 27 ASN HA H 1 4.517 0.000 A 27 ASN HBx H 1 2.846 0.000 A 27 ASN HBy H 1 2.846 0.000 A 27 ASN C C 13 177.197 0.000 A 27 ASN CA C 13 55.869 0.000 A 27 ASN CB C 13 38.369 0.000 A 27 ASN N N 15 118.197 0.000 A 28 LEU H H 1 7.433 0.000 A 28 LEU HA H 1 4.219 0.000 A 28 LEU HBx H 1 1.761 0.000 A 28 LEU HBy H 1 1.761 0.000 A 28 LEU HD1% H 1 0.917 0.000 A 28 LEU HD2% H 1 0.906 0.000 A 28 LEU HG H 1 1.510 0.000 A 28 LEU C C 13 179.411 0.000 A 28 LEU CA C 13 57.122 0.000 A 28 LEU CB C 13 41.984 0.000 A 28 LEU CD1 C 13 23.063 0.000 A 28 LEU CD2 C 13 23.063 0.000 A 28 LEU CG C 13 26.950 0.000 A 28 LEU N N 15 120.223 0.000 A 29 LEU H H 1 7.866 0.000 A 29 LEU HA H 1 4.091 0.000 A 29 LEU HBx H 1 1.664 0.000 A 29 LEU HBy H 1 1.664 0.000 A 29 LEU HD1% H 1 0.471 0.000 A 29 LEU HD2% H 1 0.556 0.000 A 29 LEU HG H 1 1.394 0.000 A 29 LEU C C 13 178.386 0.000 A 29 LEU CA C 13 56.497 0.000 A 29 LEU CB C 13 42.124 0.000 A 29 LEU CD1 C 13 25.875 0.000 A 29 LEU CD2 C 13 23.375 0.000 A 29 LEU CG C 13 25.925 0.000 A 29 LEU N N 15 119.017 0.000 A 30 SER H H 1 8.117 0.000 A 30 SER HA H 1 4.615 0.000 A 30 SER HBx H 1 4.039 0.000 A 30 SER HBy H 1 4.039 0.000 A 30 SER C C 13 175.145 0.000 A 30 SER CA C 13 59.932 0.000 A 30 SER CB C 13 63.057 0.000 A 30 SER N N 15 114.044 0.000 A 31 SER H H 1 8.084 0.000 A 31 SER HA H 1 4.535 0.000 A 31 SER HBx H 1 4.262 0.000 A 31 SER HBy H 1 4.262 0.000 A 31 SER CA C 13 58.994 0.000 A 31 SER CB C 13 63.682 0.000 A 31 SER N N 15 115.938 0.000 A 32 SER HA H 1 4.547 0.000 A 32 SER HBx H 1 4.038 0.000 A 32 SER HBy H 1 4.038 0.000 A 32 SER CA C 13 58.682 0.000 A 32 SER CB C 13 63.369 0.000 A 33 GLY H H 1 8.080 0.000 A 33 GLY HAx H 1 3.786 0.000 A 33 GLY HAy H 1 4.160 0.000 A 33 GLY C C 13 173.746 0.000 A 33 GLY CA C 13 45.561 0.000 A 33 GLY N N 15 109.530 0.000 A 34 MET H H 1 7.781 0.000 A 34 MET HA H 1 4.371 0.000 A 34 MET HBy H 1 1.765 0.000 A 34 MET HBx H 1 1.661 0.000 A 34 MET HGx H 1 2.302 0.000 A 34 MET HGy H 1 2.302 0.000 A 34 MET C C 13 174.073 0.000 A 34 MET CA C 13 54.619 0.000 A 34 MET CB C 13 33.994 0.000 A 34 MET CG C 13 31.807 0.000 A 34 MET N N 15 119.527 0.000 A 35 ALA H H 1 7.956 0.000 A 35 ALA HA H 1 4.374 0.000 A 35 ALA HB% H 1 1.210 0.000 A 35 ALA C C 13 175.915 0.000 A 35 ALA CA C 13 51.185 0.000 A 35 ALA CB C 13 19.000 0.000 A 35 ALA N N 15 125.314 0.000 A 36 PHE H H 1 7.838 0.000 A 36 PHE HA H 1 4.858 0.000 A 36 PHE HBy H 1 2.938 0.000 A 36 PHE HBx H 1 2.613 0.000 A 36 PHE HDx H 1 6.962 0.000 A 36 PHE HDy H 1 6.962 0.000 A 36 PHE HEx H 1 7.210 0.000 A 36 PHE HEy H 1 7.210 0.000 A 36 PHE HZ H 1 7.235 0.000 A 36 PHE C C 13 175.868 0.000 A 36 PHE CA C 13 57.122 0.000 A 36 PHE CB C 13 41.812 0.000 A 36 PHE N N 15 117.347 0.000 A 37 SER H H 1 8.943 0.000 A 37 SER HA H 1 4.623 0.000 A 37 SER HBy H 1 3.769 0.000 A 37 SER HBx H 1 3.576 0.000 A 37 SER C C 13 173.490 0.000 A 37 SER CA C 13 57.432 0.000 A 37 SER CB C 13 63.994 0.000 A 37 SER N N 15 117.034 0.000 A 38 LEU H H 1 8.787 0.000 A 38 LEU HA H 1 5.072 0.000 A 38 LEU HBy H 1 1.961 0.000 A 38 LEU HBx H 1 1.116 0.000 A 38 LEU HD1% H 1 0.825 0.000 A 38 LEU HD2% H 1 0.633 0.000 A 38 LEU HG H 1 1.716 0.000 A 38 LEU C C 13 175.467 0.000 A 38 LEU CA C 13 53.994 0.000 A 38 LEU CB C 13 43.057 0.000 A 38 LEU CD1 C 13 25.869 0.000 A 38 LEU CD2 C 13 22.432 0.000 A 38 LEU CG C 13 26.182 0.000 A 38 LEU N N 15 124.534 0.000 A 39 HIS H H 1 9.132 0.000 A 39 HIS HA H 1 5.434 0.000 A 39 HIS HBx H 1 2.994 0.000 A 39 HIS HBy H 1 2.994 0.000 A 39 HIS C C 13 174.656 0.000 A 39 HIS CA C 13 53.994 0.000 A 39 HIS CB C 13 35.869 0.000 A 39 HIS N N 15 121.803 0.000 A 40 THR H H 1 9.101 0.000 A 40 THR HA H 1 4.947 0.000 A 40 THR HB H 1 4.160 0.000 A 40 THR HG2% H 1 1.185 0.000 A 40 THR C C 13 173.373 0.000 A 40 THR CA C 13 60.872 0.000 A 40 THR CB C 13 69.934 0.000 A 40 THR CG2 C 13 19.619 0.000 A 40 THR N N 15 114.826 0.000 A 41 GLN H H 1 9.462 0.000 A 41 GLN HA H 1 3.967 0.000 A 41 GLN HBy H 1 2.326 0.000 A 41 GLN HBx H 1 2.156 0.000 A 41 GLN HGy H 1 2.506 0.000 A 41 GLN HGx H 1 2.409 0.000 A 41 GLN C C 13 176.031 0.000 A 41 GLN CA C 13 56.809 0.000 A 41 GLN CB C 13 27.119 0.000 A 41 GLN CG C 13 34.307 0.000 A 41 GLN N N 15 125.458 0.000 A 42 GLY H H 1 9.114 0.000 A 42 GLY HAx H 1 3.681 0.000 A 42 GLY HAy H 1 4.177 0.000 A 42 GLY C C 13 173.977 0.000 A 42 GLY CA C 13 45.557 0.000 A 42 GLY N N 15 105.029 0.000 A 43 ARG H H 1 8.140 0.000 A 43 ARG HA H 1 4.725 0.000 A 43 ARG HBx H 1 1.852 0.000 A 43 ARG HBy H 1 1.852 0.000 A 43 ARG HDx H 1 3.203 0.000 A 43 ARG HDy H 1 3.203 0.000 A 43 ARG HGy H 1 1.689 0.000 A 43 ARG HGx H 1 1.596 0.000 A 43 ARG CA C 13 53.994 0.000 A 43 ARG CB C 13 32.744 0.000 A 43 ARG CD C 13 43.369 0.000 A 43 ARG CG C 13 26.807 0.000 A 43 ARG N N 15 121.025 0.000 A 44 VAL HA H 1 3.819 0.000 A 44 VAL HB H 1 1.837 0.000 A 44 VAL HG1% H 1 0.825 0.000 A 44 VAL HG2% H 1 0.787 0.000 A 44 VAL C C 13 176.124 0.000 A 44 VAL CA C 13 62.747 0.000 A 44 VAL CB C 13 32.125 0.000 A 44 VAL CG1 C 13 20.563 0.000 A 44 VAL CG2 C 13 21.813 0.000 A 45 LEU H H 1 8.513 0.000 A 45 LEU HA H 1 4.388 0.000 A 45 LEU HBx H 1 1.372 0.000 A 45 LEU HBy H 1 1.372 0.000 A 45 LEU HD1% H 1 0.706 0.000 A 45 LEU HD2% H 1 0.730 0.000 A 45 LEU HG H 1 1.486 0.000 A 45 LEU C C 13 177.197 0.000 A 45 LEU CA C 13 53.682 0.000 A 45 LEU CB C 13 42.437 0.000 A 45 LEU CD1 C 13 25.244 0.000 A 45 LEU CD2 C 13 24.619 0.000 A 45 LEU CG C 13 26.812 0.000 A 45 LEU N N 15 129.261 0.000 A 46 SER H H 1 8.238 0.000 A 46 SER HA H 1 4.441 0.000 A 46 SER HBy H 1 4.114 0.000 A 46 SER HBx H 1 3.875 0.000 A 46 SER C C 13 175.052 0.000 A 46 SER CA C 13 57.744 0.000 A 46 SER CB C 13 63.682 0.000 A 46 SER N N 15 116.459 0.000 A 47 GLU H H 1 8.743 0.000 A 47 GLU HA H 1 4.009 0.000 A 47 GLU HBx H 1 2.053 0.000 A 47 GLU HBy H 1 2.053 0.000 A 47 GLU HGx H 1 2.335 0.000 A 47 GLU HGy H 1 2.335 0.000 A 47 GLU C C 13 176.054 0.000 A 47 GLU CA C 13 59.307 0.000 A 47 GLU CB C 13 29.619 0.000 A 47 GLU CG C 13 36.182 0.000 A 47 GLU N N 15 121.669 0.000 A 48 ALA H H 1 7.738 0.000 A 48 ALA HA H 1 4.477 0.000 A 48 ALA HB% H 1 1.382 0.000 A 48 ALA C C 13 177.267 0.000 A 48 ALA CA C 13 50.873 0.000 A 48 ALA CB C 13 19.000 0.000 A 48 ALA N N 15 117.799 0.000 A 49 ALA H H 1 7.597 0.000 A 49 ALA HA H 1 4.086 0.000 A 49 ALA HB% H 1 1.428 0.000 A 49 ALA C C 13 177.104 0.000 A 49 ALA CA C 13 52.748 0.000 A 49 ALA CB C 13 19.938 0.000 A 49 ALA N N 15 122.785 0.000 A 50 GLU H H 1 8.511 0.000 A 50 GLU HA H 1 4.140 0.000 A 50 GLU HBy H 1 1.986 0.000 A 50 GLU HBx H 1 1.906 0.000 A 50 GLU HGx H 1 2.261 0.000 A 50 GLU HGy H 1 2.261 0.000 A 50 GLU C C 13 176.054 0.000 A 50 GLU CA C 13 56.807 0.000 A 50 GLU CB C 13 30.557 0.000 A 50 GLU CG C 13 36.494 0.000 A 50 GLU N N 15 121.303 0.000 A 51 LEU H H 1 8.047 0.000 A 51 LEU HA H 1 4.501 0.000 A 51 LEU HBx H 1 1.595 0.000 A 51 LEU HBy H 1 1.595 0.000 A 51 LEU HD1% H 1 0.697 0.000 A 51 LEU HD2% H 1 0.822 0.000 A 51 LEU HG H 1 1.547 0.000 A 51 LEU C C 13 174.656 0.000 A 51 LEU CA C 13 53.379 0.000 A 51 LEU CB C 13 42.121 0.000 A 51 LEU CD1 C 13 27.209 0.000 A 51 LEU CD2 C 13 23.946 0.000 A 51 LEU CG C 13 27.241 0.000 A 51 LEU N N 15 122.325 0.000 A 52 ASN H H 1 7.424 0.000 A 52 ASN HA H 1 5.067 0.000 A 52 ASN HBy H 1 2.763 0.000 A 52 ASN HBx H 1 2.612 0.000 A 52 ASN HD21 H 1 7.340 0.000 A 52 ASN HD22 H 1 6.940 0.000 A 52 ASN C C 13 173.094 0.000 A 52 ASN CA C 13 52.119 0.000 A 52 ASN CB C 13 42.744 0.000 A 52 ASN N N 15 115.275 0.000 A 52 ASN ND2 N 15 112.828 0.000 A 53 ASP H H 1 8.495 0.000 A 53 ASP HA H 1 4.376 0.000 A 53 ASP HBy H 1 2.788 0.000 A 53 ASP HBx H 1 2.594 0.000 A 53 ASP C C 13 176.544 0.000 A 53 ASP CA C 13 55.869 0.000 A 53 ASP CB C 13 41.807 0.000 A 53 ASP N N 15 118.480 0.000 A 54 LYS H H 1 9.479 0.000 A 54 LYS HA H 1 3.713 0.000 A 54 LYS C C 13 175.495 0.000 A 54 LYS CA C 13 57.750 0.000 A 54 LYS N N 15 119.414 0.000 A 55 MET H H 1 7.665 0.000 A 55 MET HA H 1 4.198 0.000 A 55 MET HBy H 1 2.265 0.000 A 55 MET HBx H 1 1.957 0.000 A 55 MET HGy H 1 2.593 0.000 A 55 MET HGx H 1 2.245 0.000 A 55 MET C C 13 173.746 0.000 A 55 MET CA C 13 57.119 0.000 A 55 MET CB C 13 34.932 0.000 A 55 MET CG C 13 32.432 0.000 A 55 MET N N 15 119.804 0.000 A 56 VAL H H 1 8.282 0.000 A 56 VAL HA H 1 4.831 0.000 A 56 VAL HB H 1 1.954 0.000 A 56 VAL HG1% H 1 0.774 0.000 A 56 VAL HG2% H 1 0.924 0.000 A 56 VAL C C 13 176.264 0.000 A 56 VAL CA C 13 61.497 0.000 A 56 VAL CB C 13 32.437 0.000 A 56 VAL CG1 C 13 20.557 0.000 A 56 VAL CG2 C 13 20.875 0.000 A 56 VAL N N 15 122.814 0.000 A 57 ILE H H 1 9.651 0.000 A 57 ILE HA H 1 4.644 0.000 A 57 ILE HB H 1 1.734 0.000 A 57 ILE HD1% H 1 0.725 0.000 A 57 ILE HG1x H 1 1.414 0.000 A 57 ILE HG1y H 1 1.414 0.000 A 57 ILE HG2% H 1 0.864 0.000 A 57 ILE C C 13 173.770 0.000 A 57 ILE CA C 13 59.307 0.000 A 57 ILE CB C 13 41.494 0.000 A 57 ILE CD1 C 13 14.625 0.000 A 57 ILE CG1 C 13 28.369 0.000 A 57 ILE CG2 C 13 19.000 0.000 A 57 ILE N N 15 132.467 0.000 A 58 ASP H H 1 9.257 0.000 A 58 ASP HA H 1 5.173 0.000 A 58 ASP HBx H 1 2.309 0.000 A 58 ASP HBy H 1 2.309 0.000 A 58 ASP C C 13 173.886 0.000 A 58 ASP CA C 13 53.994 0.000 A 58 ASP CB C 13 43.682 0.000 A 58 ASP N N 15 127.121 0.000 A 59 ALA H H 1 8.424 0.000 A 59 ALA HA H 1 5.335 0.000 A 59 ALA HB% H 1 0.888 0.000 A 59 ALA C C 13 175.611 0.000 A 59 ALA CA C 13 49.935 0.000 A 59 ALA CB C 13 20.875 0.000 A 59 ALA N N 15 125.860 0.000 A 60 PHE H H 1 8.621 0.000 A 60 PHE HA H 1 4.986 0.000 A 60 PHE HBy H 1 3.148 0.000 A 60 PHE HBx H 1 2.809 0.000 A 60 PHE HDx H 1 6.939 0.000 A 60 PHE HDy H 1 6.939 0.000 A 60 PHE HEx H 1 7.198 0.000 A 60 PHE HEy H 1 7.198 0.000 A 60 PHE C C 13 174.469 0.000 A 60 PHE CA C 13 55.872 0.000 A 60 PHE CB C 13 41.187 0.000 A 60 PHE N N 15 119.918 0.000 A 61 VAL H H 1 8.648 0.000 A 61 VAL HA H 1 4.458 0.000 A 61 VAL HB H 1 2.033 0.000 A 61 VAL HG1% H 1 0.920 0.000 A 61 VAL HG2% H 1 0.876 0.000 A 61 VAL CA C 13 59.622 0.000 A 61 VAL CB C 13 32.437 0.000 A 61 VAL CG1 C 13 20.875 0.000 A 61 VAL CG2 C 13 20.875 0.000 A 61 VAL N N 15 123.408 0.000 A 62 PRO HA H 1 4.395 0.000 A 62 PRO HBy H 1 2.281 0.000 A 62 PRO HBx H 1 1.923 0.000 A 62 PRO HDy H 1 3.809 0.000 A 62 PRO HDx H 1 3.660 0.000 A 62 PRO HGy H 1 1.960 0.000 A 62 PRO HGx H 1 1.870 0.000 A 62 PRO C C 13 176.614 0.000 A 62 PRO CA C 13 63.057 0.000 A 62 PRO CB C 13 32.119 0.000 A 62 PRO CD C 13 50.869 0.000 A 62 PRO CG C 13 27.432 0.000 A 63 ALA H H 1 8.410 0.000 A 63 ALA HA H 1 4.281 0.000 A 63 ALA HB% H 1 1.376 0.000 A 63 ALA C C 13 177.527 0.000 A 63 ALA CA C 13 52.435 0.000 A 63 ALA CB C 13 19.000 0.000 A 63 ALA N N 15 124.350 0.000 A 64 ASP H H 1 8.264 0.000 A 64 ASP HA H 1 4.571 0.000 A 64 ASP HBx H 1 2.681 0.000 A 64 ASP HBy H 1 2.681 0.000 A 64 ASP C C 13 176.824 0.000 A 64 ASP CA C 13 53.994 0.000 A 64 ASP CB C 13 41.182 0.000 A 64 ASP N N 15 118.930 0.000 A 65 GLY H H 1 8.289 0.000 A 65 GLY HAx H 1 3.906 0.000 A 65 GLY HAy H 1 3.906 0.000 A 65 GLY C C 13 174.096 0.000 A 65 GLY CA C 13 45.249 0.000 A 65 GLY N N 15 109.281 0.000 A 66 ALA H H 1 8.147 0.000 A 66 ALA HA H 1 4.306 0.000 A 66 ALA HB% H 1 1.384 0.000 A 66 ALA CA C 13 52.435 0.000 A 66 ALA CB C 13 19.000 0.000 A 66 ALA N N 15 123.586 0.000 A 67 GLY H H 1 8.414 0.000 A 67 GLY HAx H 1 3.921 0.000 A 67 GLY HAy H 1 3.921 0.000 A 67 GLY C C 13 174.306 0.000 A 67 GLY CA C 13 45.561 0.000 A 67 GLY N N 15 108.025 0.000 A 68 LEU H H 1 7.994 0.000 A 68 LEU HA H 1 4.265 0.000 A 68 LEU HBy H 1 1.556 0.000 A 68 LEU HBx H 1 1.513 0.000 A 68 LEU HD1% H 1 0.858 0.000 A 68 LEU HD2% H 1 0.798 0.000 A 68 LEU HG H 1 1.531 0.000 A 68 LEU C C 13 177.430 0.000 A 68 LEU CA C 13 54.935 0.000 A 68 LEU CB C 13 42.124 0.000 A 68 LEU CD1 C 13 24.937 0.000 A 68 LEU CD2 C 13 23.063 0.000 A 68 LEU CG C 13 26.812 0.000 A 68 LEU N N 15 121.101 0.000 A 69 GLU H H 1 8.447 0.000 A 69 GLU HA H 1 4.156 0.000 A 69 GLU HBx H 1 1.858 0.000 A 69 GLU HBy H 1 1.858 0.000 A 69 GLU HGy H 1 2.183 0.000 A 69 GLU HGx H 1 2.103 0.000 A 69 GLU CA C 13 56.807 0.000 A 69 GLU CB C 13 29.619 0.000 A 69 GLU CG C 13 35.869 0.000 A 69 GLU N N 15 120.768 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 MET H1 A 16 LEU H 1.0 . 4.01 2 2 A 7 LEU H A 10 GLN H 1.0 . 5.30 3 3 A 10 GLN H A 9 ASP H 1.0 . 3.37 4 4 A 5 VAL H A 12 LEU H 1.0 . 5.50 5 5 A 3 VAL H A 14 PHE H 1.0 . 5.27 6 6 A 22 ALA H A 23 SER H 1.0 . 4.35 7 7 A 23 SER H A 24 GLN H 1.0 . 4.31 8 8 A 24 GLN H A 25 LEU H 1.0 . 3.82 9 9 A 24 GLN H A 26 SER H 1.0 . 5.50 10 10 A 25 LEU H A 26 SER H 1.0 . 3.69 11 11 A 26 SER H A 27 ASN H 1.0 . 4.22 12 12 A 27 ASN H A 28 LEU H 1.0 . 3.78 13 13 A 28 LEU H A 29 LEU H 1.0 . 3.78 14 14 A 29 LEU H A 30 SER H 1.0 . 3.33 15 15 A 19 GLY H A 20 ALA H 1.0 . 3.73 16 16 A 20 ALA H A 21 ARG H 1.0 . 5.50 17 17 A 37 SER H A 60 PHE H 1.0 . 4.44 18 18 A 1 MET H1 A 1 MET HA 1.0 . 3.46 19 19 A 1 MET HA A 2 LEU H 1.0 . 3.10 20 20 A 2 LEU H A 2 LEU HA 1.0 . 5.41 21 21 A 3 VAL H A 2 LEU HA 1.0 . 3.00 22 22 A 5 VAL H A 5 VAL HA 1.0 . 4.10 23 23 A 5 VAL HA A 6 ARG H 1.0 . 3.06 24 24 A 7 LEU H A 6 ARG HA 1.0 . 2.90 25 25 A 9 ASP H A 9 ASP HA 1.0 . 3.29 26 26 A 10 GLN H A 9 ASP HA 1.0 . 3.05 27 27 A 9 ASP H A 9 ASP HBx 1.0 . 3.69 28 27 A 9 ASP H A 9 ASP HBy 1.0 . 3.69 29 28 A 10 GLN H A 9 ASP HBx 1.0 . 4.27 30 28 A 10 GLN H A 9 ASP HBy 1.0 . 4.27 31 29 A 10 GLN HA A 11 THR H 1.0 . 2.88 32 30 A 11 THR H A 11 THR HA 1.0 . 4.33 33 31 A 12 LEU H A 11 THR HA 1.0 . 2.99 34 32 A 9 ASP H A 8 GLN H 1.0 . 4.64 35 33 A 14 PHE H A 14 PHE HA 1.0 . 3.49 36 34 A 14 PHE HA A 15 GLU H 1.0 . 2.78 37 35 A 14 PHE H A 14 PHE HD% 1.0 . 4.06 38 36 A 15 GLU H A 14 PHE HD% 1.0 . 4.50 39 37 A 15 GLU H A 15 GLU HA 1.0 . 4.10 40 38 A 16 LEU H A 15 GLU HA 1.0 . 3.04 41 39 A 16 LEU H A 16 LEU HA 1.0 . 4.09 42 40 A 60 PHE H A 60 PHE HD% 1.0 . 4.33 43 41 A 60 PHE H A 60 PHE HE% 1.0 . 5.50 44 42 A 60 PHE HD% A 61 VAL H 1.0 . 4.86 45 43 A 60 PHE HE% A 61 VAL H 1.0 . 5.46 46 44 A 66 ALA H A 65 GLY HAx 1.0 . 2.96 47 44 A 65 GLY HAy A 66 ALA H 1.0 . 2.96 48 45 A 66 ALA H A 66 ALA HB% 1.0 . 2.68 49 46 A 65 GLY H A 65 GLY HAx 1.0 . 2.64 50 46 A 65 GLY HAy A 65 GLY H 1.0 . 2.64 51 47 A 67 GLY H A 67 GLY HAx 1.0 . 2.76 52 47 A 67 GLY H A 67 GLY HAy 1.0 . 2.76 53 48 A 68 LEU H A 67 GLY HAx 1.0 . 2.72 54 48 A 67 GLY HAy A 68 LEU H 1.0 . 2.72 55 49 A 61 VAL H A 61 VAL HG2% 1.0 . 3.49 56 50 A 54 LYS H A 55 MET H 1.0 . 3.67 57 51 A 49 ALA H A 49 ALA HB% 1.0 . 2.54 58 52 A 49 ALA HB% A 50 GLU H 1.0 . 3.17 59 53 A 48 ALA H A 48 ALA HB% 1.0 . 2.78 60 54 A 40 THR H A 40 THR HG2% 1.0 . 3.83 61 55 A 36 PHE H A 36 PHE HD% 1.0 . 4.19 62 56 A 36 PHE H A 36 PHE HE% 1.0 . 5.34 63 57 A 37 SER H A 36 PHE HD% 1.0 . 4.86 64 58 A 35 ALA H A 35 ALA HB% 1.0 . 3.06 65 59 A 36 PHE H A 35 ALA HB% 1.0 . 3.64 66 60 A 5 VAL H A 5 VAL HG2% 1.0 . 3.98 67 61 A 5 VAL H A 4 ILE HG2% 1.0 . 3.81 68 62 A 6 ARG H A 59 ALA HB% 1.0 . 3.52 69 63 A 6 ARG H A 5 VAL HG1% 1.0 . 3.71 70 64 A 7 LEU H A 7 LEU HG 1.0 . 4.14 71 65 A 7 LEU H A 7 LEU HD1% 1.0 . 3.72 72 65 A 7 LEU H A 7 LEU HD2% 1.0 . 3.72 73 66 A 60 PHE H A 60 PHE HA 1.0 . 4.05 74 67 A 61 VAL H A 60 PHE HA 1.0 . 3.09 75 68 A 60 PHE H A 59 ALA HA 1.0 . 3.17 76 69 A 8 GLN H A 7 LEU HD1% 1.0 . 4.30 77 69 A 8 GLN H A 7 LEU HD2% 1.0 . 4.30 78 70 A 57 ILE H A 57 ILE HA 1.0 . 4.81 79 71 A 57 ILE HA A 58 ASP H 1.0 . 3.23 80 72 A 57 ILE H A 56 VAL HA 1.0 . 3.28 81 73 A 69 GLU H A 69 GLU HA 1.0 . 3.13 82 74 A 69 GLU H A 69 GLU HBx 1.0 . 2.72 83 74 A 69 GLU H A 69 GLU HBy 1.0 . 2.72 84 75 A 69 GLU H A 69 GLU HGx 1.0 . 3.82 85 76 A 69 GLU H A 69 GLU HGy 1.0 . 3.68 86 77 A 68 LEU H A 68 LEU HA 1.0 . 3.08 87 78 A 68 LEU H A 68 LEU HD1% 1.0 . 3.39 88 78 A 68 LEU H A 68 LEU HD2% 1.0 . 3.39 89 79 A 68 LEU H A 68 LEU HBx 1.0 . 3.13 90 80 A 69 GLU H A 68 LEU HBx 1.0 . 3.28 91 81 A 69 GLU H A 68 LEU HBy 1.0 . 3.39 92 82 A 69 GLU H A 68 LEU HD1% 1.0 . 3.52 93 82 A 69 GLU H A 68 LEU HD2% 1.0 . 3.52 94 83 A 69 GLU H A 67 GLY HAx 1.0 . 4.30 95 83 A 67 GLY HAy A 69 GLU H 1.0 . 4.30 96 84 A 66 ALA H A 66 ALA HA 1.0 . 3.33 97 85 A 67 GLY H A 66 ALA HA 1.0 . 3.10 98 86 A 64 ASP H A 64 ASP HA 1.0 . 2.87 99 87 A 64 ASP H A 64 ASP HBx 1.0 . 2.85 100 87 A 64 ASP H A 64 ASP HBy 1.0 . 2.85 101 88 A 65 GLY H A 64 ASP HA 1.0 . 2.68 102 89 A 65 GLY H A 64 ASP HBx 1.0 . 3.58 103 89 A 65 GLY H A 64 ASP HBy 1.0 . 3.58 104 90 A 63 ALA H A 63 ALA HA 1.0 . 3.18 105 91 A 63 ALA H A 63 ALA HB% 1.0 . 2.59 106 92 A 64 ASP H A 63 ALA HB% 1.0 . 2.99 107 93 A 64 ASP H A 63 ALA HA 1.0 . 2.62 108 94 A 61 VAL H A 61 VAL HA 1.0 . 4.15 109 95 A 63 ALA H A 62 PRO HA 1.0 . 2.56 110 96 A 63 ALA H A 62 PRO HBy 1.0 . 3.34 111 97 A 49 ALA H A 48 ALA H 1.0 . 3.24 112 98 A 67 GLY H A 68 LEU H 1.0 . 3.80 113 99 A 68 LEU H A 69 GLU H 1.0 . 3.54 114 100 A 61 VAL H A 60 PHE HBy 1.0 . 4.10 115 101 A 60 PHE H A 60 PHE HBy 1.0 . 4.14 116 102 A 58 ASP H A 58 ASP HA 1.0 . 5.50 117 103 A 5 VAL HG2% A 57 ILE H 1.0 . 3.67 118 104 A 57 ILE H A 56 VAL HG1% 1.0 . 3.40 119 105 A 57 ILE H A 57 ILE HG1x 1.0 . 4.47 120 105 A 57 ILE H A 57 ILE HG1y 1.0 . 4.47 121 106 A 57 ILE H A 57 ILE HB 1.0 . 3.70 122 107 A 55 MET H A 55 MET HA 1.0 . 3.33 123 108 A 51 LEU H A 51 LEU HA 1.0 . 4.06 124 109 A 49 ALA H A 49 ALA HA 1.0 . 3.19 125 110 A 50 GLU H A 49 ALA HA 1.0 . 2.70 126 111 A 48 ALA H A 48 ALA HA 1.0 . 3.26 127 112 A 49 ALA H A 48 ALA HA 1.0 . 3.61 128 113 A 45 LEU H A 45 LEU HA 1.0 . 3.94 129 114 A 40 THR H A 40 THR HA 1.0 . 4.33 130 115 A 40 THR HA A 41 GLN H 1.0 . 3.53 131 116 A 40 THR H A 40 THR HB 1.0 . 4.81 132 117 A 41 GLN H A 40 THR HB 1.0 . 4.28 133 118 A 38 LEU H A 38 LEU HA 1.0 . 4.88 134 119 A 37 SER H A 37 SER HA 1.0 . 3.66 135 120 A 38 LEU H A 37 SER HA 1.0 . 3.45 136 121 A 37 SER H A 37 SER HBy 1.0 . 3.68 137 122 A 37 SER H A 37 SER HBx 1.0 . 4.12 138 123 A 38 LEU H A 37 SER HBy 1.0 . 4.44 139 124 A 38 LEU H A 37 SER HBx 1.0 . 4.98 140 125 A 36 PHE H A 36 PHE HA 1.0 . 3.80 141 126 A 37 SER H A 36 PHE HA 1.0 . 3.27 142 127 A 36 PHE H A 36 PHE HBy 1.0 . 3.84 143 128 A 36 PHE H A 36 PHE HBx 1.0 . 3.75 144 129 A 37 SER H A 36 PHE HBy 1.0 . 3.87 145 130 A 37 SER H A 36 PHE HBx 1.0 . 4.24 146 131 A 35 ALA H A 34 MET HA 1.0 . 2.71 147 132 A 36 PHE H A 35 ALA HA 1.0 . 2.82 148 133 A 34 MET HA A 34 MET H 1.0 . 3.49 149 134 A 47 GLU H A 47 GLU HGx 1.0 . 3.54 150 134 A 47 GLU H A 47 GLU HGy 1.0 . 3.54 151 135 A 47 GLU H A 47 GLU HBx 1.0 . 3.06 152 135 A 47 GLU H A 47 GLU HBy 1.0 . 3.06 153 136 A 48 ALA H A 47 GLU HGx 1.0 . 4.25 154 136 A 48 ALA H A 47 GLU HGy 1.0 . 4.25 155 137 A 48 ALA H A 47 GLU HBx 1.0 . 3.71 156 137 A 48 ALA H A 47 GLU HBy 1.0 . 3.71 157 138 A 34 MET H A 34 MET HGx 1.0 . 3.80 158 138 A 34 MET H A 34 MET HGy 1.0 . 3.80 159 139 A 34 MET H A 34 MET HBy 1.0 . 3.48 160 140 A 34 MET H A 34 MET HBx 1.0 . 3.75 161 141 A 35 ALA H A 34 MET HGx 1.0 . 5.21 162 141 A 35 ALA H A 34 MET HGy 1.0 . 5.21 163 142 A 35 ALA H A 34 MET HBy 1.0 . 5.02 164 143 A 35 ALA H A 34 MET HBx 1.0 . 4.35 165 144 A 1 MET H1 A 1 MET HE% 1.0 . 4.13 166 145 A 1 MET H1 A 1 MET HBx 1.0 . 4.42 167 145 A 1 MET H1 A 1 MET HBy 1.0 . 4.42 168 146 A 1 MET H1 A 1 MET HGx 1.0 . 3.93 169 147 A 1 MET H1 A 1 MET HGy 1.0 . 3.82 170 148 A 2 LEU H A 2 LEU HD1% 1.0 . 4.00 171 148 A 2 LEU H A 2 LEU HD2% 1.0 . 4.00 172 149 A 2 LEU H A 2 LEU HBx 1.0 . 3.82 173 150 A 2 LEU H A 2 LEU HBy 1.0 . 3.59 174 151 A 5 VAL H A 5 VAL HB 1.0 . 3.93 175 152 A 6 ARG H A 6 ARG HBx 1.0 . 3.64 176 153 A 6 ARG H A 6 ARG HGx 1.0 . 4.11 177 153 A 6 ARG H A 6 ARG HGy 1.0 . 4.11 178 154 A 10 GLN H A 10 GLN HGx 1.0 . 3.40 179 154 A 10 GLN H A 10 GLN HGy 1.0 . 3.40 180 155 A 10 GLN H A 10 GLN HBx 1.0 . 3.13 181 155 A 10 GLN H A 10 GLN HBy 1.0 . 3.13 182 156 A 11 THR H A 10 GLN HGx 1.0 . 4.10 183 156 A 11 THR H A 10 GLN HGy 1.0 . 4.10 184 157 A 11 THR H A 10 GLN HBx 1.0 . 3.33 185 157 A 11 THR H A 10 GLN HBy 1.0 . 3.33 186 158 A 11 THR H A 11 THR HB 1.0 . 3.83 187 159 A 12 LEU H A 11 THR HB 1.0 . 5.50 188 160 A 12 LEU H A 12 LEU HD1% 1.0 . 3.75 189 160 A 12 LEU H A 12 LEU HD2% 1.0 . 3.75 190 161 A 12 LEU H A 4 ILE HD1% 1.0 . 4.28 191 162 A 14 PHE H A 14 PHE HBx 1.0 . 3.63 192 162 A 14 PHE H A 14 PHE HBy 1.0 . 3.63 193 163 A 15 GLU H A 14 PHE HBx 1.0 . 3.63 194 163 A 15 GLU H A 14 PHE HBy 1.0 . 3.63 195 164 A 15 GLU H A 15 GLU HBx 1.0 . 3.11 196 165 A 15 GLU H A 15 GLU HBy 1.0 . 3.26 197 166 A 15 GLU H A 15 GLU HGx 1.0 . 5.43 198 167 A 15 GLU H A 15 GLU HGy 1.0 . 5.08 199 168 A 16 LEU H A 15 GLU HGy 1.0 . 4.91 200 169 A 16 LEU H A 15 GLU HGx 1.0 . 4.77 201 170 A 16 LEU H A 15 GLU HBy 1.0 . 4.17 202 171 A 16 LEU H A 15 GLU HBx 1.0 . 4.24 203 172 A 16 LEU H A 16 LEU HD1% 1.0 . 4.21 204 172 A 16 LEU H A 16 LEU HD2% 1.0 . 4.21 205 173 A 20 ALA H A 20 ALA HA 1.0 . 3.29 206 174 A 20 ALA H A 20 ALA HB% 1.0 . 2.76 207 175 A 21 ARG H A 20 ALA HA 1.0 . 2.89 208 176 A 21 ARG H A 20 ALA HB% 1.0 . 3.33 209 177 A 21 ARG H A 21 ARG HA 1.0 . 4.43 210 178 A 22 ALA H A 21 ARG HA 1.0 . 3.40 211 179 A 21 ARG H A 21 ARG HDx 1.0 . 5.48 212 179 A 21 ARG H A 21 ARG HDy 1.0 . 5.48 213 180 A 21 ARG H A 21 ARG HBx 1.0 . 3.37 214 181 A 21 ARG H A 21 ARG HGy 1.0 . 4.01 215 181 A 21 ARG H A 21 ARG HGx 1.0 . 4.01 216 182 A 22 ALA H A 21 ARG HBx 1.0 . 3.69 217 183 A 22 ALA H A 21 ARG HGy 1.0 . 4.02 218 183 A 22 ALA H A 21 ARG HGx 1.0 . 4.02 219 184 A 22 ALA H A 21 ARG HDx 1.0 . 5.13 220 184 A 22 ALA H A 21 ARG HDy 1.0 . 5.13 221 185 A 22 ALA H A 22 ALA HB% 1.0 . 2.86 222 186 A 23 SER H A 22 ALA HB% 1.0 . 3.56 223 187 A 23 SER H A 23 SER HBx 1.0 . 3.09 224 187 A 23 SER H A 23 SER HBy 1.0 . 3.09 225 188 A 24 GLN H A 23 SER HBx 1.0 . 4.24 226 188 A 24 GLN H A 23 SER HBy 1.0 . 4.24 227 189 A 24 GLN H A 24 GLN HA 1.0 . 3.39 228 190 A 25 LEU H A 24 GLN HA 1.0 . 3.93 229 191 A 24 GLN H A 24 GLN HBx 1.0 . 3.30 230 192 A 25 LEU H A 24 GLN HBx 1.0 . 4.08 231 193 A 25 LEU H A 24 GLN HBy 1.0 . 3.89 232 194 A 25 LEU H A 25 LEU HA 1.0 . 3.48 233 195 A 26 SER H A 26 SER HA 1.0 . 2.96 234 196 A 25 LEU H A 25 LEU HBy 1.0 . 3.88 235 197 A 25 LEU H A 25 LEU HBx 1.0 . 3.74 236 198 A 25 LEU H A 25 LEU HD1% 1.0 . 5.45 237 199 A 25 LEU H A 25 LEU HD2% 1.0 . 3.95 238 200 A 26 SER H A 25 LEU HBy 1.0 . 4.40 239 201 A 26 SER H A 25 LEU HBx 1.0 . 4.42 240 202 A 26 SER H A 25 LEU HD2% 1.0 . 4.76 241 203 A 26 SER H A 23 SER HA 1.0 . 4.35 242 204 A 27 ASN H A 26 SER HA 1.0 . 3.27 243 205 A 27 ASN H A 27 ASN HA 1.0 . 3.42 244 206 A 27 ASN H A 27 ASN HBx 1.0 . 2.98 245 206 A 27 ASN H A 27 ASN HBy 1.0 . 2.98 246 207 A 28 LEU H A 27 ASN HBx 1.0 . 3.53 247 207 A 28 LEU H A 27 ASN HBy 1.0 . 3.53 248 208 A 28 LEU H A 27 ASN HA 1.0 . 4.56 249 209 A 28 LEU H A 28 LEU HA 1.0 . 3.47 250 210 A 29 LEU H A 28 LEU HA 1.0 . 3.89 251 211 A 28 LEU H A 28 LEU HD1% 1.0 . 3.31 252 211 A 28 LEU H A 28 LEU HD2% 1.0 . 3.31 253 212 A 28 LEU H A 28 LEU HG 1.0 . 3.48 254 213 A 28 LEU H A 28 LEU HBx 1.0 . 2.89 255 213 A 28 LEU H A 28 LEU HBy 1.0 . 2.89 256 214 A 29 LEU H A 29 LEU HA 1.0 . 3.74 257 215 A 29 LEU H A 29 LEU HD2% 1.0 . 4.22 258 216 A 29 LEU H A 29 LEU HD1% 1.0 . 4.23 259 217 A 29 LEU H A 29 LEU HG 1.0 . 3.45 260 218 A 29 LEU H A 29 LEU HBx 1.0 . 2.96 261 218 A 29 LEU H A 29 LEU HBy 1.0 . 2.96 262 219 A 30 SER H A 29 LEU HBx 1.0 . 3.52 263 219 A 30 SER H A 29 LEU HBy 1.0 . 3.52 264 220 A 30 SER H A 29 LEU HD2% 1.0 . 5.15 265 221 A 30 SER H A 29 LEU HD1% 1.0 . 5.09 266 222 A 30 SER H A 30 SER HBx 1.0 . 2.89 267 222 A 30 SER H A 30 SER HBy 1.0 . 2.89 268 223 A 30 SER H A 30 SER HA 1.0 . 3.30 269 224 A 31 SER H A 30 SER HBx 1.0 . 4.09 270 224 A 30 SER HBy A 31 SER H 1.0 . 4.09 271 225 A 31 SER H A 31 SER HA 1.0 . 4.13 272 226 A 34 MET H A 33 GLY HAy 1.0 . 3.94 273 227 A 34 MET H A 33 GLY HAx 1.0 . 3.91 274 228 A 55 MET H A 3 VAL HA 1.0 . 4.00 275 229 A 5 VAL HA A 57 ILE H 1.0 . 4.59 276 230 A 7 LEU H A 7 LEU HA 1.0 . 4.13 277 231 A 8 GLN H A 7 LEU HA 1.0 . 3.29 278 232 A 6 ARG H A 58 ASP HA 1.0 . 3.69 279 233 A 8 GLN H A 8 GLN HA 1.0 . 3.26 280 234 A 34 MET H A 33 GLY H 1.0 . 4.19 281 235 A 45 LEU H A 44 VAL HG1% 1.0 . 3.33 282 236 A 41 GLN H A 41 GLN HBx 1.0 . 4.43 283 237 A 45 LEU H A 44 VAL HA 1.0 . 3.09 284 238 A 58 ASP H A 40 THR HB 1.0 . 3.86 285 239 A 37 SER H A 61 VAL HA 1.0 . 4.24 286 240 A 58 ASP H A 40 THR HA 1.0 . 5.50 287 241 A 59 ALA HA A 59 ALA H 1.0 . 4.34 288 242 A 59 ALA HB% A 59 ALA H 1.0 . 3.46 289 243 A 59 ALA H A 58 ASP HBx 1.0 . 4.35 290 243 A 59 ALA H A 58 ASP HBy 1.0 . 4.35 291 244 A 58 ASP H A 58 ASP HBx 1.0 . 3.61 292 244 A 58 ASP H A 58 ASP HBy 1.0 . 3.61 293 245 A 60 PHE H A 59 ALA HB% 1.0 . 3.80 294 246 A 58 ASP HA A 59 ALA H 1.0 . 3.31 295 247 A 61 VAL H A 61 VAL HB 1.0 . 3.54 296 248 A 55 MET H A 55 MET HBx 1.0 . 2.99 297 248 A 55 MET H A 55 MET HBy 1.0 . 2.99 298 249 A 55 MET H A 55 MET HGx 1.0 . 3.19 299 250 A 55 MET HA A 56 VAL H 1.0 . 2.99 300 251 A 56 VAL HA A 56 VAL H 1.0 . 3.89 301 252 A 56 VAL H A 56 VAL HG2% 1.0 . 3.28 302 253 A 56 VAL HG1% A 56 VAL H 1.0 . 3.85 303 254 A 56 VAL H A 56 VAL HB 1.0 . 3.52 304 255 A 40 THR HG2% A 56 VAL H 1.0 . 4.76 305 256 A 52 ASN H A 52 ASN HA 1.0 . 3.71 306 257 A 52 ASN H A 51 LEU HD1% 1.0 . 3.60 307 258 A 52 ASN H A 55 MET HBx 1.0 . 3.77 308 258 A 55 MET HBy A 52 ASN H 1.0 . 3.77 309 259 A 52 ASN H A 55 MET HGx 1.0 . 4.71 310 260 A 53 ASP H A 53 ASP HBy 1.0 . 2.92 311 261 A 53 ASP H A 53 ASP HBx 1.0 . 2.84 312 262 A 52 ASN HA A 53 ASP H 1.0 . 3.12 313 263 A 38 LEU HA A 39 HIS H 1.0 . 3.59 314 264 A 39 HIS H A 39 HIS HA 1.0 . 5.50 315 265 A 40 THR H A 39 HIS HA 1.0 . 3.57 316 266 A 39 HIS H A 39 HIS HBx 1.0 . 3.91 317 266 A 39 HIS H A 39 HIS HBy 1.0 . 3.91 318 267 A 40 THR H A 39 HIS HBx 1.0 . 3.73 319 267 A 40 THR H A 39 HIS HBy 1.0 . 3.73 320 268 A 42 GLY H A 43 ARG H 1.0 . 3.47 321 269 A 41 GLN H A 42 GLY H 1.0 . 4.63 322 270 A 42 GLY H A 42 GLY HAy 1.0 . 3.51 323 271 A 42 GLY H A 41 GLN HA 1.0 . 3.42 324 272 A 48 ALA H A 47 GLU H 1.0 . 3.89 325 273 A 49 ALA H A 50 GLU H 1.0 . 4.62 326 274 A 47 GLU H A 46 SER HA 1.0 . 2.89 327 275 A 25 LEU H A 22 ALA HB% 1.0 . 4.76 328 276 A 40 THR HG2% A 41 GLN H 1.0 . 5.50 329 277 A 4 ILE H A 3 VAL HG1% 1.0 . 3.31 330 277 A 3 VAL HG2% A 4 ILE H 1.0 . 3.31 331 278 A 4 ILE HD1% A 4 ILE H 1.0 . 3.93 332 279 A 55 MET H A 3 VAL HG1% 1.0 . 3.53 333 279 A 55 MET H A 3 VAL HG2% 1.0 . 3.53 334 280 A 58 ASP H A 57 ILE HG2% 1.0 . 3.41 335 281 A 36 PHE H A 61 VAL HG1% 1.0 . 5.15 336 281 A 36 PHE H A 61 VAL HG2% 1.0 . 5.15 337 282 A 37 SER H A 61 VAL HG1% 1.0 . 4.27 338 282 A 37 SER H A 61 VAL HG2% 1.0 . 4.27 339 283 A 5 VAL H A 14 PHE HD% 1.0 . 4.73 340 284 A 5 VAL H A 14 PHE HE% 1.0 . 5.34 341 285 A 60 PHE HD% A 63 ALA H 1.0 . 5.50 342 286 A 14 PHE H A 13 PRO HA 1.0 . 3.09 343 287 A 3 VAL H A 3 VAL HB 1.0 . 3.88 344 288 A 4 ILE H A 3 VAL HB 1.0 . 3.99 345 289 A 4 ILE H A 4 ILE HB 1.0 . 3.40 346 290 A 4 ILE H A 4 ILE HG1x 1.0 . 3.72 347 291 A 4 ILE H A 4 ILE HG1y 1.0 . 4.04 348 292 A 19 GLY H A 1 MET HBx 1.0 . 3.27 349 292 A 19 GLY H A 1 MET HBy 1.0 . 3.27 350 293 A 20 ALA H A 1 MET HBx 1.0 . 3.05 351 293 A 20 ALA H A 1 MET HBy 1.0 . 3.05 352 294 A 19 GLY H A 18 ALA HB% 1.0 . 3.20 353 295 A 18 ALA HB% A 18 ALA H 1.0 . 2.95 354 296 A 20 ALA H A 18 ALA HB% 1.0 . 4.13 355 297 A 50 GLU H A 50 GLU HBy 1.0 . 5.50 356 298 A 50 GLU H A 50 GLU HGx 1.0 . 3.45 357 298 A 50 GLU H A 50 GLU HGy 1.0 . 3.45 358 299 A 20 ALA H A 19 GLY HAx 1.0 . 3.67 359 300 A 19 GLY H A 19 GLY HAx 1.0 . 3.06 360 301 A 19 GLY H A 18 ALA HA 1.0 . 2.62 361 302 A 20 ALA H A 19 GLY HAy 1.0 . 3.42 362 303 A 51 LEU H A 21 ARG HA 1.0 . 3.66 363 304 A 54 LYS H A 54 LYS HA 1.0 . 3.54 364 305 A 51 LEU H A 52 ASN H 1.0 . 4.83 365 306 A 18 ALA H A 17 PRO HBy 1.0 . 3.59 366 307 A 18 ALA H A 17 PRO HA 1.0 . 2.90 367 308 A 9 ASP H A 8 GLN HA 1.0 . 3.98 368 309 A 8 GLN H A 8 GLN HBx 1.0 . 4.36 369 310 A 8 GLN H A 8 GLN HBy 1.0 . 4.46 370 311 A 8 GLN H A 8 GLN HGx 1.0 . 4.24 371 311 A 8 GLN H A 8 GLN HGy 1.0 . 4.24 372 312 A 9 ASP H A 8 GLN HBx 1.0 . 3.03 373 313 A 9 ASP H A 8 GLN HBy 1.0 . 3.36 374 314 A 9 ASP H A 8 GLN HGx 1.0 . 3.82 375 314 A 9 ASP H A 8 GLN HGy 1.0 . 3.82 376 315 A 37 SER H A 36 PHE H 1.0 . 5.50 377 316 A 14 PHE H A 2 LEU HD1% 1.0 . 3.25 378 316 A 14 PHE H A 2 LEU HD2% 1.0 . 3.25 379 317 A 14 PHE H A 4 ILE HD1% 1.0 . 3.98 380 318 A 16 LEU H A 17 PRO HDy 1.0 . 4.49 381 319 A 18 ALA H A 18 ALA HA 1.0 . 3.72 382 320 A 22 ALA H A 22 ALA HA 1.0 . 4.23 383 321 A 51 LEU H A 51 LEU HD1% 1.0 . 3.49 384 322 A 51 LEU H A 51 LEU HD2% 1.0 . 4.08 385 323 A 22 ALA H A 51 LEU HD1% 1.0 . 4.14 386 324 A 58 ASP H A 57 ILE HD1% 1.0 . 4.51 387 325 A 41 GLN H A 41 GLN HA 1.0 . 3.37 388 326 A 5 VAL H A 4 ILE HA 1.0 . 3.18 389 327 A 6 ARG H A 5 VAL HB 1.0 . 5.50 390 328 A 5 VAL HG1% A 59 ALA H 1.0 . 4.21 391 329 A 68 LEU H A 68 LEU HBy 1.0 . 2.62 392 330 A 38 LEU H A 38 LEU HD1% 1.0 . 3.82 393 331 A 11 THR H A 11 THR HG2% 1.0 . 4.64 394 332 A 12 LEU H A 11 THR HG2% 1.0 . 4.40 395 333 A 11 THR H A 12 LEU HD1% 1.0 . 5.09 396 333 A 11 THR H A 12 LEU HD2% 1.0 . 5.09 397 334 A 29 LEU H A 25 LEU HD1% 1.0 . 5.42 398 335 A 40 THR H A 57 ILE HG2% 1.0 . 5.50 399 336 A 40 THR H A 45 LEU HD2% 1.0 . 5.42 400 337 A 39 HIS H A 57 ILE HG2% 1.0 . 3.47 401 338 A 39 HIS H A 38 LEU HD2% 1.0 . 4.67 402 339 A 40 THR HG2% A 42 GLY H 1.0 . 5.50 403 340 A 41 GLN HBx A 42 GLY H 1.0 . 5.50 404 341 A 55 MET H A 54 LYS HA 1.0 . 3.76 405 342 A 54 LYS H A 53 ASP HA 1.0 . 3.29 406 343 A 53 ASP H A 53 ASP HA 1.0 . 3.96 407 344 A 6 ARG H A 6 ARG HBy 1.0 . 3.77 408 345 A 6 ARG H A 6 ARG HDx 1.0 . 5.50 409 345 A 6 ARG H A 6 ARG HDy 1.0 . 5.50 410 346 A 1 MET H1 A 17 PRO HA 1.0 . 3.83 411 347 A 2 LEU H A 53 ASP HA 1.0 . 3.92 412 348 A 2 LEU H A 1 MET HBx 1.0 . 5.50 413 348 A 2 LEU H A 1 MET HBy 1.0 . 5.50 414 349 A 2 LEU H A 1 MET HGx 1.0 . 5.45 415 350 A 7 LEU H A 7 LEU HBx 1.0 . 4.04 416 351 A 7 LEU H A 6 ARG HDx 1.0 . 5.50 417 351 A 7 LEU H A 6 ARG HDy 1.0 . 5.50 418 352 A 7 LEU H A 7 LEU HBy 1.0 . 3.61 419 353 A 7 LEU H A 6 ARG HBx 1.0 . 4.03 420 354 A 7 LEU H A 6 ARG HBy 1.0 . 5.06 421 355 A 7 LEU H A 10 GLN HBx 1.0 . 4.64 422 355 A 7 LEU H A 10 GLN HBy 1.0 . 4.64 423 356 A 7 LEU H A 10 GLN HGx 1.0 . 5.50 424 356 A 7 LEU H A 10 GLN HGy 1.0 . 5.50 425 357 A 8 GLN H A 7 LEU HBy 1.0 . 4.14 426 358 A 8 GLN H A 7 LEU HBx 1.0 . 5.50 427 359 A 10 GLN H A 7 LEU HBy 1.0 . 5.21 428 360 A 10 GLN H A 7 LEU HD1% 1.0 . 5.26 429 360 A 10 GLN H A 7 LEU HD2% 1.0 . 5.26 430 361 A 12 LEU H A 5 VAL HB 1.0 . 5.50 431 362 A 12 LEU H A 12 LEU HBy 1.0 . 4.14 432 363 A 12 LEU H A 14 PHE HD% 1.0 . 5.50 433 364 A 12 LEU H A 12 LEU HBx 1.0 . 4.64 434 365 A 14 PHE H A 3 VAL HB 1.0 . 3.95 435 366 A 15 GLU H A 2 LEU HD1% 1.0 . 4.20 436 366 A 15 GLU H A 2 LEU HD2% 1.0 . 4.20 437 367 A 18 ALA H A 17 PRO HBx 1.0 . 3.70 438 368 A 18 ALA H A 17 PRO HGx 1.0 . 3.95 439 368 A 18 ALA H A 17 PRO HGy 1.0 . 3.95 440 369 A 21 ARG H A 21 ARG HBy 1.0 . 4.86 441 370 A 21 ARG H A 24 GLN HBx 1.0 . 5.50 442 371 A 21 ARG H A 24 GLN HBy 1.0 . 4.49 443 372 A 22 ALA H A 21 ARG HBy 1.0 . 3.80 444 373 A 22 ALA H A 50 GLU HA 1.0 . 4.25 445 374 A 23 SER H A 23 SER HA 1.0 . 3.88 446 375 A 23 SER H A 21 ARG HGy 1.0 . 4.52 447 375 A 23 SER H A 21 ARG HGx 1.0 . 4.52 448 376 A 23 SER H A 21 ARG HBx 1.0 . 3.83 449 377 A 23 SER H A 21 ARG HBy 1.0 . 4.08 450 378 A 24 GLN H A 22 ALA HA 1.0 . 5.50 451 379 A 25 LEU H A 22 ALA HA 1.0 . 4.52 452 380 A 27 ASN H A 24 GLN HA 1.0 . 3.96 453 381 A 28 LEU H A 25 LEU HA 1.0 . 4.31 454 382 A 29 LEU H A 26 SER HA 1.0 . 3.99 455 383 A 30 SER H A 27 ASN HA 1.0 . 3.74 456 384 A 33 GLY HAx A 33 GLY H 1.0 . 3.41 457 385 A 33 GLY H A 32 SER HBx 1.0 . 3.64 458 385 A 33 GLY H A 32 SER HBy 1.0 . 3.64 459 386 A 33 GLY HAy A 33 GLY H 1.0 . 3.40 460 387 A 38 LEU H A 38 LEU HD2% 1.0 . 5.00 461 388 A 38 LEU H A 38 LEU HBx 1.0 . 4.78 462 389 A 38 LEU H A 38 LEU HBy 1.0 . 4.31 463 390 A 41 GLN H A 41 GLN HGx 1.0 . 3.83 464 391 A 41 GLN H A 41 GLN HBy 1.0 . 4.42 465 392 A 41 GLN H A 41 GLN HGy 1.0 . 4.23 466 393 A 42 GLY H A 42 GLY HAx 1.0 . 3.52 467 394 A 42 GLY H A 41 GLN HBy 1.0 . 4.95 468 395 A 45 LEU H A 39 HIS HA 1.0 . 4.08 469 396 A 45 LEU H A 45 LEU HD1% 1.0 . 3.86 470 396 A 45 LEU H A 45 LEU HD2% 1.0 . 3.86 471 397 A 45 LEU H A 45 LEU HBx 1.0 . 3.34 472 397 A 45 LEU H A 45 LEU HBy 1.0 . 3.34 473 398 A 45 LEU H A 45 LEU HG 1.0 . 3.56 474 399 A 45 LEU H A 44 VAL HB 1.0 . 4.77 475 400 A 47 GLU H A 46 SER HBy 1.0 . 3.65 476 401 A 47 GLU H A 47 GLU HA 1.0 . 3.46 477 402 A 47 GLU H A 46 SER HBx 1.0 . 3.83 478 403 A 48 ALA HB% A 47 GLU H 1.0 . 4.37 479 404 A 48 ALA H A 46 SER HBy 1.0 . 4.11 480 405 A 48 ALA H A 47 GLU HA 1.0 . 4.04 481 406 A 48 ALA H A 46 SER HBx 1.0 . 4.25 482 407 A 49 ALA H A 46 SER HBx 1.0 . 4.16 483 408 A 49 ALA H A 45 LEU HD1% 1.0 . 5.28 484 408 A 49 ALA H A 45 LEU HD2% 1.0 . 5.28 485 409 A 51 LEU H A 51 LEU HBx 1.0 . 2.93 486 409 A 51 LEU H A 51 LEU HBy 1.0 . 2.93 487 410 A 51 LEU H A 50 GLU HA 1.0 . 2.80 488 411 A 54 LYS H A 53 ASP HBy 1.0 . 5.50 489 412 A 54 LYS H A 53 ASP HBx 1.0 . 5.50 490 413 A 54 LYS H A 2 LEU HBy 1.0 . 5.50 491 414 A 54 LYS H A 2 LEU HBx 1.0 . 4.87 492 415 A 55 MET H A 55 MET HGy 1.0 . 3.39 493 416 A 56 VAL H A 55 MET HGx 1.0 . 5.02 494 417 A 56 VAL H A 55 MET HGy 1.0 . 3.97 495 418 A 60 PHE H A 60 PHE HBx 1.0 . 4.03 496 419 A 60 PHE H A 36 PHE HBy 1.0 . 4.89 497 420 A 60 PHE H A 36 PHE HBx 1.0 . 5.50 498 421 A 61 VAL H A 60 PHE HBx 1.0 . 4.31 499 422 A 65 GLY H A 63 ALA HB% 1.0 . 5.25 500 423 A 66 ALA HB% A 67 GLY H 1.0 . 3.51 501 424 A 66 ALA H A 67 GLY H 1.0 . 4.14 502 425 A 60 PHE H A 37 SER HBy 1.0 . 5.50 503 426 A 60 PHE H A 37 SER HBx 1.0 . 5.50 504 427 A 56 VAL H A 55 MET HBx 1.0 . 3.43 505 427 A 55 MET HBy A 56 VAL H 1.0 . 3.43 506 428 A 2 LEU H A 1 MET HGy 1.0 . 5.50 507 429 A 52 ASN H A 52 ASN HBx 1.0 . 3.51 508 430 A 52 ASN H A 52 ASN HBy 1.0 . 4.04 509 431 A 29 LEU H A 27 ASN HA 1.0 . 5.50 510 432 A 24 GLN H A 24 GLN HBy 1.0 . 2.99 511 433 A 19 GLY H A 1 MET HGy 1.0 . 5.18 512 434 A 20 ALA H A 1 MET HGx 1.0 . 5.50 513 435 A 20 ALA H A 1 MET HGy 1.0 . 5.50 514 436 A 6 ARG HE A 6 ARG HGx 1.0 . 5.00 515 436 A 6 ARG HGy A 6 ARG HE 1.0 . 5.00 516 437 A 6 ARG HE A 6 ARG HBx 1.0 . 5.50 517 438 A 6 ARG HE A 6 ARG HBy 1.0 . 5.50 518 439 A 6 ARG HE A 6 ARG HDx 1.0 . 4.39 519 439 A 6 ARG HDy A 6 ARG HE 1.0 . 4.39 520 440 A 52 ASN HA A 52 ASN HD21 1.0 . 4.64 521 441 A 52 ASN HBy A 52 ASN HD21 1.0 . 3.75 522 442 A 52 ASN HBx A 52 ASN HD21 1.0 . 3.85 523 443 A 12 LEU H A 14 PHE HE% 1.0 . 5.50 524 444 A 45 LEU HA A 46 SER H 1.0 . 3.07 525 445 A 46 SER HBx A 46 SER H 1.0 . 4.26 526 446 A 46 SER H A 45 LEU HD1% 1.0 . 4.60 527 446 A 45 LEU HD2% A 46 SER H 1.0 . 4.60 528 447 A 49 ALA HB% A 46 SER H 1.0 . 3.83 529 448 A 1 MET H1 A 15 GLU HA 1.0 . 5.19 530 449 A 2 LEU H A 54 LYS H 1.0 . 5.50 531 450 A 2 LEU H A 53 ASP HBx 1.0 . 5.50 532 451 A 2 LEU H A 53 ASP HBy 1.0 . 5.50 533 452 A 56 VAL HA A 4 ILE H 1.0 . 3.68 534 453 A 5 VAL H A 14 PHE H 1.0 . 4.57 535 454 A 5 VAL H A 13 PRO HA 1.0 . 4.61 536 455 A 4 ILE HG2% A 4 ILE H 1.0 . 3.93 537 456 A 6 ARG H A 59 ALA H 1.0 . 5.50 538 457 A 7 LEU H A 12 LEU H 1.0 . 5.50 539 458 A 10 GLN H A 11 THR H 1.0 . 5.45 540 459 A 14 PHE H A 4 ILE HA 1.0 . 3.87 541 460 A 1 MET H1 A 18 ALA H 1.0 . 5.47 542 461 A 28 LEU H A 30 SER H 1.0 . 5.50 543 462 A 40 THR H A 43 ARG H 1.0 . 4.14 544 463 A 43 ARG H A 42 GLY HAx 1.0 . 3.41 545 464 A 43 ARG H A 43 ARG HGx 1.0 . 3.29 546 465 A 43 ARG H A 43 ARG HBx 1.0 . 2.71 547 465 A 43 ARG H A 43 ARG HBy 1.0 . 2.71 548 466 A 43 ARG H A 43 ARG HDx 1.0 . 4.90 549 466 A 43 ARG H A 43 ARG HDy 1.0 . 4.90 550 467 A 46 SER HBy A 46 SER H 1.0 . 4.78 551 468 A 49 ALA H A 47 GLU H 1.0 . 5.50 552 469 A 50 GLU H A 51 LEU H 1.0 . 5.15 553 470 A 10 GLN H A 7 LEU HBx 1.0 . 5.50 554 471 A 52 ASN HD21 A 52 ASN HD22 1.0 . 2.40 555 472 A 52 ASN HBy A 52 ASN HD22 1.0 . 3.52 556 473 A 52 ASN HBx A 52 ASN HD22 1.0 . 3.65 557 474 A 52 ASN HA A 52 ASN HD22 1.0 . 4.09 558 475 A 55 MET H A 4 ILE H 1.0 . 4.99 559 476 A 57 ILE H A 56 VAL HB 1.0 . 4.80 560 477 A 57 ILE H A 57 ILE HG2% 1.0 . 3.56 561 478 A 26 SER H A 26 SER HBx 1.0 . 2.96 562 478 A 26 SER H A 26 SER HBy 1.0 . 2.96 563 479 A 27 ASN H A 26 SER HBx 1.0 . 3.27 564 479 A 27 ASN H A 26 SER HBy 1.0 . 3.27 565 480 A 63 ALA H A 62 PRO HBx 1.0 . 3.71 566 481 A 61 VAL H A 61 VAL HG1% 1.0 . 4.39 567 482 A 33 GLY HAy A 33 GLY HAx 1.0 . 2.40 568 483 A 18 ALA HB% A 18 ALA HA 1.0 . 2.40 569 484 A 20 ALA HA A 20 ALA HB% 1.0 . 2.40 570 485 A 22 ALA HB% A 22 ALA HA 1.0 . 2.52 571 486 A 35 ALA HB% A 35 ALA HA 1.0 . 2.40 572 487 A 48 ALA HB% A 48 ALA HA 1.0 . 2.40 573 488 A 49 ALA HB% A 49 ALA HA 1.0 . 2.40 574 489 A 59 ALA HB% A 59 ALA HA 1.0 . 2.75 575 490 A 63 ALA HA A 63 ALA HB% 1.0 . 2.40 576 491 A 66 ALA HB% A 66 ALA HA 1.0 . 2.40 577 492 A 40 THR HA A 40 THR HB 1.0 . 2.60 578 493 A 40 THR HG2% A 40 THR HA 1.0 . 3.87 579 494 A 11 THR HA A 11 THR HG2% 1.0 . 2.80 580 495 A 11 THR HA A 11 THR HB 1.0 . 3.66 581 496 A 11 THR HB A 11 THR HG2% 1.0 . 2.57 582 497 A 4 ILE HD1% A 4 ILE HB 1.0 . 2.99 583 498 A 4 ILE HD1% A 4 ILE HG1y 1.0 . 2.60 584 499 A 4 ILE HD1% A 4 ILE HG1x 1.0 . 2.70 585 500 A 4 ILE HG2% A 4 ILE HG1y 1.0 . 3.18 586 501 A 4 ILE HG2% A 4 ILE HG1x 1.0 . 2.95 587 502 A 4 ILE HG2% A 4 ILE HB 1.0 . 2.60 588 503 A 4 ILE HD1% A 4 ILE HA 1.0 . 2.80 589 504 A 4 ILE HG2% A 4 ILE HA 1.0 . 2.80 590 505 A 57 ILE HG2% A 57 ILE HD1% 1.0 . 2.40 591 506 A 57 ILE HA A 57 ILE HG2% 1.0 . 2.58 592 507 A 61 VAL HA A 61 VAL HG1% 1.0 . 2.72 593 508 A 61 VAL HA A 61 VAL HG2% 1.0 . 2.89 594 509 A 61 VAL HB A 61 VAL HG1% 1.0 . 2.40 595 510 A 61 VAL HB A 61 VAL HG2% 1.0 . 2.40 596 511 A 61 VAL HA A 61 VAL HB 1.0 . 3.94 597 512 A 3 VAL HB A 3 VAL HG1% 1.0 . 2.40 598 512 A 3 VAL HG2% A 3 VAL HB 1.0 . 2.40 599 513 A 3 VAL HA A 3 VAL HG1% 1.0 . 2.71 600 513 A 3 VAL HA A 3 VAL HG2% 1.0 . 2.71 601 514 A 3 VAL HA A 3 VAL HB 1.0 . 2.93 602 515 A 3 VAL HA A 3 VAL HG2% 1.0 . 3.73 603 516 A 3 VAL HG2% A 3 VAL HB 1.0 . 2.40 604 517 A 5 VAL HG2% A 5 VAL HG1% 1.0 . 2.40 605 518 A 5 VAL HG1% A 5 VAL HB 1.0 . 2.88 606 519 A 5 VAL HA A 5 VAL HG1% 1.0 . 2.66 607 520 A 5 VAL HA A 5 VAL HG2% 1.0 . 2.57 608 521 A 56 VAL HG1% A 56 VAL HB 1.0 . 2.40 609 522 A 56 VAL HA A 56 VAL HG1% 1.0 . 2.66 610 523 A 56 VAL HA A 56 VAL HG2% 1.0 . 2.67 611 524 A 56 VAL HG2% A 56 VAL HB 1.0 . 2.40 612 525 A 44 VAL HA A 44 VAL HG2% 1.0 . 3.10 613 526 A 44 VAL HG1% A 44 VAL HA 1.0 . 3.01 614 527 A 44 VAL HG1% A 44 VAL HB 1.0 . 2.40 615 528 A 44 VAL HB A 44 VAL HG2% 1.0 . 2.40 616 529 A 44 VAL HA A 44 VAL HB 1.0 . 3.23 617 530 A 68 LEU HD2% A 68 LEU HBx 1.0 . 3.28 618 531 A 68 LEU HD2% A 68 LEU HBy 1.0 . 3.19 619 532 A 68 LEU HBx A 68 LEU HBy 1.0 . 2.40 620 533 A 68 LEU HBx A 68 LEU HD1% 1.0 . 2.49 621 534 A 68 LEU HA A 68 LEU HD2% 1.0 . 2.81 622 535 A 68 LEU HA A 68 LEU HD1% 1.0 . 3.91 623 536 A 68 LEU HA A 68 LEU HBx 1.0 . 2.72 624 537 A 68 LEU HA A 68 LEU HBy 1.0 . 3.13 625 538 A 68 LEU HA A 68 LEU HG 1.0 . 2.72 626 539 A 68 LEU HD2% A 68 LEU HG 1.0 . 3.28 627 540 A 29 LEU HD2% A 29 LEU HG 1.0 . 3.33 628 541 A 29 LEU HA A 29 LEU HD2% 1.0 . 2.83 629 542 A 29 LEU HD2% A 29 LEU HBx 1.0 . 3.61 630 542 A 29 LEU HD2% A 29 LEU HBy 1.0 . 3.61 631 543 A 29 LEU HD2% A 29 LEU HD1% 1.0 . 2.40 632 544 A 25 LEU HA A 29 LEU HD1% 1.0 . 3.61 633 545 A 29 LEU HD1% A 29 LEU HBx 1.0 . 2.83 634 545 A 29 LEU HD1% A 29 LEU HBy 1.0 . 2.83 635 546 A 29 LEU HD1% A 29 LEU HG 1.0 . 2.65 636 547 A 29 LEU HA A 29 LEU HD1% 1.0 . 3.93 637 548 A 29 LEU HA A 29 LEU HBx 1.0 . 3.29 638 548 A 29 LEU HA A 29 LEU HBy 1.0 . 3.29 639 549 A 25 LEU HD1% A 25 LEU HG 1.0 . 2.93 640 550 A 25 LEU HA A 25 LEU HD1% 1.0 . 2.78 641 551 A 25 LEU HBy A 25 LEU HD1% 1.0 . 5.50 642 552 A 25 LEU HD1% A 25 LEU HD2% 1.0 . 2.54 643 553 A 25 LEU HD2% A 25 LEU HG 1.0 . 2.40 644 554 A 25 LEU HA A 25 LEU HD2% 1.0 . 4.04 645 555 A 25 LEU HA A 25 LEU HBx 1.0 . 4.40 646 556 A 25 LEU HA A 25 LEU HBy 1.0 . 3.90 647 557 A 45 LEU HA A 45 LEU HD1% 1.0 . 3.58 648 558 A 45 LEU HA A 45 LEU HBx 1.0 . 2.85 649 558 A 45 LEU HA A 45 LEU HBy 1.0 . 2.85 650 559 A 49 ALA HB% A 45 LEU HD1% 1.0 . 2.58 651 560 A 45 LEU HA A 45 LEU HD2% 1.0 . 2.51 652 561 A 45 LEU HG A 45 LEU HD1% 1.0 . 2.45 653 562 A 38 LEU HA A 38 LEU HD1% 1.0 . 3.49 654 563 A 2 LEU HA A 2 LEU HD1% 1.0 . 2.71 655 564 A 2 LEU HA A 2 LEU HD2% 1.0 . 5.18 656 565 A 28 LEU HA A 28 LEU HD2% 1.0 . 2.52 657 566 A 28 LEU HBy A 28 LEU HD1% 1.0 . 3.02 658 566 A 28 LEU HBx A 28 LEU HD1% 1.0 . 3.02 659 567 A 28 LEU HD2% A 28 LEU HBy 1.0 . 2.88 660 567 A 28 LEU HD2% A 28 LEU HBx 1.0 . 2.88 661 568 A 28 LEU HD2% A 28 LEU HG 1.0 . 3.04 662 569 A 28 LEU HA A 28 LEU HD1% 1.0 . 2.67 663 569 A 28 LEU HA A 28 LEU HD2% 1.0 . 2.67 664 570 A 28 LEU HA A 28 LEU HBx 1.0 . 3.07 665 570 A 28 LEU HA A 28 LEU HBy 1.0 . 3.07 666 571 A 7 LEU HA A 7 LEU HD1% 1.0 . 3.23 667 572 A 60 PHE HA A 60 PHE HBy 1.0 . 3.27 668 573 A 60 PHE HA A 60 PHE HBx 1.0 . 4.22 669 574 A 36 PHE HA A 36 PHE HBy 1.0 . 3.56 670 575 A 36 PHE HA A 36 PHE HBx 1.0 . 4.09 671 576 A 14 PHE HA A 14 PHE HBx 1.0 . 2.54 672 576 A 14 PHE HA A 14 PHE HBy 1.0 . 2.54 673 577 A 14 PHE HD% A 14 PHE HBx 1.0 . 4.35 674 577 A 14 PHE HD% A 14 PHE HBy 1.0 . 4.35 675 578 A 60 PHE HD% A 60 PHE HBx 1.0 . 4.22 676 579 A 5 VAL HG2% A 14 PHE HE% 1.0 . 3.19 677 580 A 14 PHE HD% A 25 LEU HD1% 1.0 . 4.03 678 581 A 29 LEU HD2% A 14 PHE HE% 1.0 . 2.92 679 582 A 36 PHE HE% A 7 LEU HD1% 1.0 . 3.71 680 583 A 7 LEU HD2% A 36 PHE HZ 1.0 . 4.01 681 584 A 36 PHE HE% A 59 ALA HB% 1.0 . 3.25 682 585 A 59 ALA HB% A 36 PHE HZ 1.0 . 3.58 683 586 A 36 PHE HZ A 61 VAL HG1% 1.0 . 4.08 684 587 A 36 PHE HD% A 59 ALA HB% 1.0 . 3.21 685 588 A 29 LEU HD2% A 38 LEU HD1% 1.0 . 2.40 686 589 A 36 PHE HE% A 29 LEU HD2% 1.0 . 3.72 687 590 A 5 VAL HG1% A 29 LEU HD1% 1.0 . 2.40 688 591 A 5 VAL HB A 14 PHE HE% 1.0 . 3.16 689 592 A 19 GLY HAx A 19 GLY HAy 1.0 . 2.40 690 593 A 4 ILE HG2% A 56 VAL HA 1.0 . 5.25 691 594 A 4 ILE HD1% A 13 PRO HA 1.0 . 3.54 692 595 A 5 VAL HG2% A 25 LEU HD2% 1.0 . 2.56 693 596 A 25 LEU HBy A 25 LEU HD2% 1.0 . 2.99 694 597 A 5 VAL HG2% A 25 LEU HD1% 1.0 . 2.45 695 598 A 25 LEU HD1% A 3 VAL HG2% 1.0 . 2.40 696 599 A 25 LEU HD2% A 3 VAL HG2% 1.0 . 2.40 697 600 A 7 LEU HD2% A 7 LEU HBy 1.0 . 2.96 698 601 A 4 ILE HG2% A 11 THR HG2% 1.0 . 2.59 699 602 A 20 ALA HB% A 17 PRO HBy 1.0 . 3.68 700 603 A 20 ALA HB% A 17 PRO HGx 1.0 . 2.82 701 603 A 20 ALA HB% A 17 PRO HGy 1.0 . 2.82 702 604 A 22 ALA HB% A 45 LEU HD1% 1.0 . 2.40 703 605 A 8 GLN HBy A 8 GLN HGx 1.0 . 2.40 704 605 A 8 GLN HBy A 8 GLN HGy 1.0 . 2.40 705 606 A 8 GLN HBx A 8 GLN HGx 1.0 . 2.40 706 606 A 8 GLN HBx A 8 GLN HGy 1.0 . 2.40 707 607 A 8 GLN HBx A 8 GLN HBy 1.0 . 2.40 708 608 A 8 GLN HA A 8 GLN HGx 1.0 . 2.68 709 608 A 8 GLN HA A 8 GLN HGy 1.0 . 2.68 710 609 A 1 MET HE% A 1 MET HGy 1.0 . 3.08 711 610 A 1 MET HE% A 1 MET HGx 1.0 . 4.10 712 611 A 2 LEU HA A 2 LEU HD1% 1.0 . 2.72 713 611 A 2 LEU HA A 2 LEU HD2% 1.0 . 2.72 714 612 A 38 LEU HA A 38 LEU HD2% 1.0 . 2.99 715 613 A 38 LEU HD2% A 38 LEU HG 1.0 . 2.92 716 614 A 38 LEU HD2% A 38 LEU HBy 1.0 . 4.72 717 615 A 38 LEU HD2% A 38 LEU HBx 1.0 . 4.98 718 616 A 38 LEU HD1% A 38 LEU HG 1.0 . 2.40 719 617 A 38 LEU HD1% A 38 LEU HBy 1.0 . 3.18 720 618 A 38 LEU HD1% A 38 LEU HBx 1.0 . 3.84 721 619 A 38 LEU HBx A 38 LEU HBy 1.0 . 3.07 722 620 A 38 LEU HA A 38 LEU HBx 1.0 . 5.09 723 621 A 38 LEU HA A 38 LEU HBy 1.0 . 4.90 724 622 A 59 ALA HA A 38 LEU HD2% 1.0 . 3.19 725 623 A 2 LEU HA A 2 LEU HBx 1.0 . 2.92 726 624 A 2 LEU HA A 2 LEU HBy 1.0 . 3.15 727 625 A 2 LEU HBy A 2 LEU HD1% 1.0 . 3.03 728 625 A 2 LEU HD2% A 2 LEU HBy 1.0 . 3.03 729 626 A 2 LEU HBx A 2 LEU HBy 1.0 . 2.40 730 627 A 2 LEU HBx A 2 LEU HD1% 1.0 . 3.15 731 627 A 2 LEU HD2% A 2 LEU HBx 1.0 . 3.15 732 628 A 2 LEU HD2% A 2 LEU HBy 1.0 . 2.54 733 629 A 2 LEU HBy A 2 LEU HD1% 1.0 . 2.79 734 630 A 3 VAL HA A 3 VAL HG1% 1.0 . 3.24 735 631 A 3 VAL HB A 3 VAL HG1% 1.0 . 2.52 736 632 A 59 ALA HA A 38 LEU HA 1.0 . 4.34 737 633 A 38 LEU HA A 57 ILE HG2% 1.0 . 3.47 738 634 A 10 GLN HA A 10 GLN HBx 1.0 . 2.51 739 634 A 10 GLN HA A 10 GLN HBy 1.0 . 2.51 740 635 A 10 GLN HA A 10 GLN HGx 1.0 . 2.88 741 635 A 10 GLN HA A 10 GLN HGy 1.0 . 2.88 742 636 A 6 ARG HA A 6 ARG HBx 1.0 . 3.68 743 636 A 6 ARG HA A 6 ARG HBy 1.0 . 3.68 744 637 A 6 ARG HA A 6 ARG HDx 1.0 . 3.46 745 637 A 6 ARG HA A 6 ARG HDy 1.0 . 3.46 746 638 A 60 PHE HD% A 60 PHE HA 1.0 . 4.09 747 639 A 29 LEU HA A 29 LEU HG 1.0 . 3.19 748 640 A 41 GLN HBx A 41 GLN HA 1.0 . 3.29 749 641 A 41 GLN HA A 41 GLN HGx 1.0 . 2.58 750 642 A 28 LEU HA A 28 LEU HG 1.0 . 3.46 751 643 A 69 GLU HA A 69 GLU HBx 1.0 . 2.40 752 643 A 69 GLU HA A 69 GLU HBy 1.0 . 2.40 753 644 A 62 PRO HA A 62 PRO HBx 1.0 . 2.70 754 645 A 6 ARG HDx A 6 ARG HGx 1.0 . 2.40 755 645 A 6 ARG HDy A 6 ARG HGx 1.0 . 2.40 756 645 A 6 ARG HGy A 6 ARG HDx 1.0 . 2.40 757 645 A 6 ARG HGy A 6 ARG HDy 1.0 . 2.40 758 646 A 6 ARG HBy A 6 ARG HDx 1.0 . 2.91 759 646 A 6 ARG HBx A 6 ARG HDx 1.0 . 2.91 760 646 A 6 ARG HDy A 6 ARG HBx 1.0 . 2.91 761 646 A 6 ARG HDy A 6 ARG HBy 1.0 . 2.91 762 647 A 6 ARG HA A 6 ARG HGx 1.0 . 2.88 763 647 A 6 ARG HA A 6 ARG HGy 1.0 . 2.88 764 648 A 7 LEU HA A 7 LEU HBy 1.0 . 3.06 765 649 A 7 LEU HBx A 7 LEU HBy 1.0 . 2.40 766 650 A 7 LEU HBy A 7 LEU HD1% 1.0 . 3.21 767 650 A 7 LEU HD2% A 7 LEU HBy 1.0 . 3.21 768 651 A 10 GLN HBx A 10 GLN HGx 1.0 . 2.40 769 651 A 10 GLN HBy A 10 GLN HGx 1.0 . 2.40 770 651 A 10 GLN HGy A 10 GLN HBx 1.0 . 2.40 771 651 A 10 GLN HGy A 10 GLN HBy 1.0 . 2.40 772 652 A 12 LEU HBx A 12 LEU HA 1.0 . 4.41 773 653 A 12 LEU HBy A 12 LEU HBx 1.0 . 2.70 774 654 A 12 LEU HBy A 12 LEU HD1% 1.0 . 3.37 775 654 A 12 LEU HD2% A 12 LEU HBy 1.0 . 3.37 776 655 A 12 LEU HBx A 12 LEU HD1% 1.0 . 3.17 777 655 A 12 LEU HD2% A 12 LEU HBx 1.0 . 3.17 778 656 A 12 LEU HBx A 12 LEU HD1% 1.0 . 5.50 779 657 A 12 LEU HD2% A 12 LEU HA 1.0 . 2.85 780 658 A 12 LEU HD2% A 12 LEU HBy 1.0 . 2.78 781 659 A 12 LEU HD2% A 12 LEU HBx 1.0 . 3.01 782 660 A 13 PRO HA A 4 ILE HA 1.0 . 2.80 783 661 A 62 PRO HDx A 62 PRO HDy 1.0 . 2.40 784 662 A 62 PRO HDy A 62 PRO HGy 1.0 . 4.08 785 663 A 13 PRO HGx A 13 PRO HDx 1.0 . 3.50 786 664 A 13 PRO HDx A 13 PRO HGy 1.0 . 2.80 787 665 A 13 PRO HBy A 13 PRO HBx 1.0 . 2.40 788 666 A 62 PRO HBx A 62 PRO HDx 1.0 . 3.80 789 667 A 62 PRO HBy A 62 PRO HDy 1.0 . 5.33 790 668 A 13 PRO HA A 13 PRO HBy 1.0 . 3.01 791 669 A 13 PRO HA A 13 PRO HBx 1.0 . 3.14 792 670 A 15 GLU HA A 15 GLU HBy 1.0 . 2.57 793 670 A 15 GLU HA A 15 GLU HBx 1.0 . 2.57 794 671 A 15 GLU HA A 15 GLU HGx 1.0 . 3.35 795 672 A 15 GLU HGy A 15 GLU HBy 1.0 . 2.40 796 672 A 15 GLU HGy A 15 GLU HBx 1.0 . 2.40 797 673 A 15 GLU HGx A 15 GLU HBy 1.0 . 2.46 798 673 A 15 GLU HGx A 15 GLU HBx 1.0 . 2.46 799 674 A 15 GLU HA A 15 GLU HGy 1.0 . 5.50 800 675 A 17 PRO HA A 17 PRO HGx 1.0 . 3.29 801 675 A 17 PRO HA A 17 PRO HGy 1.0 . 3.29 802 676 A 17 PRO HBy A 17 PRO HA 1.0 . 2.65 803 677 A 17 PRO HBy A 17 PRO HDy 1.0 . 3.83 804 678 A 17 PRO HBy A 17 PRO HGx 1.0 . 2.65 805 678 A 17 PRO HBy A 17 PRO HGy 1.0 . 2.65 806 679 A 21 ARG HA A 21 ARG HDx 1.0 . 4.20 807 679 A 21 ARG HA A 21 ARG HDy 1.0 . 4.20 808 680 A 21 ARG HA A 21 ARG HBy 1.0 . 2.54 809 681 A 21 ARG HA A 21 ARG HBx 1.0 . 2.49 810 682 A 24 GLN HA A 24 GLN HBx 1.0 . 3.10 811 683 A 24 GLN HA A 24 GLN HGy 1.0 . 3.39 812 684 A 24 GLN HBx A 24 GLN HGy 1.0 . 4.69 813 685 A 24 GLN HA A 24 GLN HGx 1.0 . 2.67 814 686 A 24 GLN HBx A 24 GLN HBy 1.0 . 2.40 815 687 A 24 GLN HA A 24 GLN HBy 1.0 . 3.01 816 688 A 23 SER HA A 23 SER HBx 1.0 . 2.40 817 688 A 23 SER HBy A 23 SER HA 1.0 . 2.40 818 689 A 27 ASN HA A 27 ASN HBx 1.0 . 2.40 819 689 A 27 ASN HA A 27 ASN HBy 1.0 . 2.40 820 690 A 30 SER HA A 30 SER HBx 1.0 . 2.56 821 690 A 30 SER HBy A 30 SER HA 1.0 . 2.56 822 691 A 32 SER HA A 32 SER HBx 1.0 . 2.40 823 691 A 32 SER HBy A 32 SER HA 1.0 . 2.40 824 692 A 34 MET HA A 34 MET HBy 1.0 . 3.35 825 693 A 34 MET HA A 34 MET HGx 1.0 . 2.52 826 693 A 34 MET HA A 34 MET HGy 1.0 . 2.52 827 694 A 34 MET HBx A 34 MET HGx 1.0 . 4.37 828 694 A 34 MET HGy A 34 MET HBx 1.0 . 4.37 829 695 A 34 MET HBy A 34 MET HBx 1.0 . 2.40 830 696 A 34 MET HA A 34 MET HBx 1.0 . 3.05 831 697 A 37 SER HA A 37 SER HBy 1.0 . 2.94 832 698 A 37 SER HA A 37 SER HBx 1.0 . 3.05 833 699 A 37 SER HBy A 37 SER HBx 1.0 . 2.40 834 700 A 41 GLN HA A 41 GLN HBy 1.0 . 2.60 835 701 A 41 GLN HA A 41 GLN HGy 1.0 . 3.03 836 702 A 41 GLN HBx A 41 GLN HGy 1.0 . 2.51 837 703 A 41 GLN HBy A 41 GLN HGy 1.0 . 2.92 838 704 A 41 GLN HBx A 41 GLN HBy 1.0 . 2.40 839 705 A 46 SER HA A 46 SER HBy 1.0 . 2.40 840 706 A 46 SER HA A 46 SER HBx 1.0 . 2.40 841 707 A 46 SER HBy A 46 SER HBx 1.0 . 2.40 842 708 A 47 GLU HA A 47 GLU HGx 1.0 . 2.87 843 708 A 47 GLU HGy A 47 GLU HA 1.0 . 2.87 844 709 A 47 GLU HBx A 47 GLU HGx 1.0 . 2.40 845 709 A 47 GLU HBy A 47 GLU HGx 1.0 . 2.40 846 709 A 47 GLU HGy A 47 GLU HBx 1.0 . 2.40 847 709 A 47 GLU HGy A 47 GLU HBy 1.0 . 2.40 848 710 A 47 GLU HA A 47 GLU HBx 1.0 . 2.40 849 710 A 47 GLU HBy A 47 GLU HA 1.0 . 2.40 850 711 A 50 GLU HA A 50 GLU HGx 1.0 . 2.96 851 711 A 50 GLU HGy A 50 GLU HA 1.0 . 2.96 852 712 A 50 GLU HA A 50 GLU HBx 1.0 . 5.50 853 713 A 52 ASN HA A 52 ASN HBy 1.0 . 2.87 854 714 A 52 ASN HA A 52 ASN HBx 1.0 . 3.05 855 715 A 52 ASN HBx A 52 ASN HBy 1.0 . 2.40 856 716 A 53 ASP HBy A 53 ASP HA 1.0 . 3.08 857 717 A 53 ASP HBx A 53 ASP HA 1.0 . 3.41 858 718 A 55 MET HA A 55 MET HBy 1.0 . 3.29 859 719 A 55 MET HA A 55 MET HBx 1.0 . 3.05 860 720 A 55 MET HA A 55 MET HGx 1.0 . 3.27 861 720 A 55 MET HA A 55 MET HGy 1.0 . 3.27 862 721 A 55 MET HBy A 55 MET HGy 1.0 . 2.95 863 721 A 55 MET HBy A 55 MET HGx 1.0 . 2.95 864 722 A 55 MET HGy A 55 MET HBx 1.0 . 3.34 865 722 A 55 MET HBx A 55 MET HGx 1.0 . 3.34 866 723 A 55 MET HBy A 55 MET HBx 1.0 . 2.71 867 724 A 57 ILE HB A 57 ILE HG1x 1.0 . 3.22 868 724 A 57 ILE HG1y A 57 ILE HB 1.0 . 3.22 869 725 A 57 ILE HB A 57 ILE HG2% 1.0 . 2.40 870 726 A 57 ILE HB A 57 ILE HD1% 1.0 . 3.18 871 727 A 57 ILE HD1% A 57 ILE HG1x 1.0 . 2.61 872 727 A 57 ILE HG1y A 57 ILE HD1% 1.0 . 2.61 873 728 A 57 ILE HG2% A 57 ILE HG1x 1.0 . 2.40 874 728 A 57 ILE HG1y A 57 ILE HG2% 1.0 . 2.40 875 729 A 57 ILE HA A 57 ILE HD1% 1.0 . 3.62 876 730 A 57 ILE HA A 57 ILE HG1x 1.0 . 3.95 877 730 A 57 ILE HA A 57 ILE HG1y 1.0 . 3.95 878 731 A 57 ILE HA A 57 ILE HB 1.0 . 5.29 879 732 A 58 ASP HA A 58 ASP HBx 1.0 . 3.44 880 732 A 58 ASP HA A 58 ASP HBy 1.0 . 3.44 881 733 A 64 ASP HA A 64 ASP HBx 1.0 . 2.40 882 733 A 64 ASP HA A 64 ASP HBy 1.0 . 2.40 883 734 A 69 GLU HA A 69 GLU HGx 1.0 . 5.50 884 735 A 69 GLU HGx A 69 GLU HBx 1.0 . 2.40 885 735 A 69 GLU HBy A 69 GLU HGx 1.0 . 2.40 886 736 A 69 GLU HGy A 69 GLU HBx 1.0 . 2.40 887 736 A 69 GLU HBy A 69 GLU HGy 1.0 . 2.40 888 737 A 62 PRO HA A 62 PRO HBy 1.0 . 2.59 889 738 A 62 PRO HBy A 62 PRO HBx 1.0 . 2.40 890 739 A 62 PRO HDx A 62 PRO HGy 1.0 . 2.60 891 740 A 62 PRO HA A 62 PRO HGy 1.0 . 5.27 892 741 A 16 LEU HA A 16 LEU HD2% 1.0 . 2.63 893 742 A 16 LEU HD2% A 16 LEU HG 1.0 . 2.40 894 743 A 2 LEU HD2% A 2 LEU HBx 1.0 . 2.45 895 744 A 3 VAL HG2% A 55 MET HGy 1.0 . 3.63 896 744 A 3 VAL HG2% A 55 MET HGx 1.0 . 3.63 897 745 A 57 ILE HD1% A 55 MET HGx 1.0 . 4.13 898 745 A 57 ILE HD1% A 55 MET HGy 1.0 . 4.13 899 746 A 4 ILE HB A 4 ILE HA 1.0 . 5.02 900 747 A 56 VAL HA A 4 ILE HB 1.0 . 3.12 901 748 A 56 VAL HA A 56 VAL HB 1.0 . 3.38 902 749 A 4 ILE HB A 4 ILE HG1y 1.0 . 5.41 903 750 A 4 ILE HG1x A 4 ILE HA 1.0 . 4.33 904 751 A 4 ILE HB A 4 ILE HG1x 1.0 . 3.54 905 752 A 4 ILE HG1x A 4 ILE HG1y 1.0 . 2.40 906 753 A 5 VAL HA A 57 ILE HB 1.0 . 3.47 907 754 A 5 VAL HG2% A 5 VAL HB 1.0 . 2.60 908 755 A 56 VAL HG1% A 6 ARG HBx 1.0 . 4.76 909 755 A 56 VAL HG1% A 6 ARG HBy 1.0 . 4.76 910 756 A 6 ARG HBx A 6 ARG HGx 1.0 . 2.40 911 756 A 6 ARG HBy A 6 ARG HGx 1.0 . 2.40 912 756 A 6 ARG HGy A 6 ARG HBx 1.0 . 2.40 913 756 A 6 ARG HGy A 6 ARG HBy 1.0 . 2.40 914 757 A 56 VAL HG1% A 6 ARG HDx 1.0 . 2.94 915 757 A 56 VAL HG1% A 6 ARG HDy 1.0 . 2.94 916 758 A 59 ALA HB% A 7 LEU HA 1.0 . 3.46 917 759 A 8 GLN HA A 8 GLN HBx 1.0 . 2.80 918 760 A 8 GLN HA A 8 GLN HBy 1.0 . 5.36 919 761 A 12 LEU HBy A 12 LEU HA 1.0 . 5.50 920 762 A 12 LEU HA A 13 PRO HDx 1.0 . 2.63 921 763 A 62 PRO HBx A 62 PRO HDy 1.0 . 5.26 922 764 A 61 VAL HA A 62 PRO HDx 1.0 . 2.83 923 765 A 61 VAL HA A 62 PRO HDy 1.0 . 3.09 924 766 A 62 PRO HDy A 62 PRO HGx 1.0 . 3.38 925 767 A 62 PRO HDx A 62 PRO HGx 1.0 . 2.70 926 768 A 12 LEU HA A 13 PRO HDy 1.0 . 2.61 927 769 A 17 PRO HDy A 17 PRO HGx 1.0 . 2.66 928 769 A 17 PRO HDy A 17 PRO HGy 1.0 . 2.66 929 770 A 14 PHE HA A 14 PHE HD% 1.0 . 3.92 930 771 A 16 LEU HA A 17 PRO HDy 1.0 . 2.68 931 772 A 17 PRO HA A 17 PRO HDy 1.0 . 4.93 932 773 A 17 PRO HDy A 17 PRO HDx 1.0 . 2.44 933 774 A 16 LEU HA A 17 PRO HDx 1.0 . 3.41 934 775 A 20 ALA HB% A 17 PRO HDy 1.0 . 4.47 935 776 A 20 ALA HB% A 17 PRO HDx 1.0 . 3.55 936 777 A 17 PRO HDx A 17 PRO HGx 1.0 . 2.84 937 777 A 17 PRO HGy A 17 PRO HDx 1.0 . 2.84 938 778 A 17 PRO HA A 17 PRO HBx 1.0 . 2.96 939 779 A 17 PRO HBy A 17 PRO HBx 1.0 . 2.40 940 780 A 17 PRO HBx A 17 PRO HDx 1.0 . 5.04 941 781 A 17 PRO HDy A 17 PRO HBx 1.0 . 4.33 942 782 A 16 LEU HA A 16 LEU HG 1.0 . 4.74 943 783 A 23 SER HBx A 47 GLU HBx 1.0 . 4.06 944 783 A 23 SER HBy A 47 GLU HBx 1.0 . 4.06 945 783 A 47 GLU HBy A 23 SER HBx 1.0 . 4.06 946 783 A 47 GLU HBy A 23 SER HBy 1.0 . 4.06 947 784 A 24 GLN HA A 27 ASN HBx 1.0 . 3.35 948 784 A 24 GLN HA A 27 ASN HBy 1.0 . 3.35 949 785 A 25 LEU HD1% A 28 LEU HD2% 1.0 . 3.38 950 786 A 36 PHE HBy A 36 PHE HBx 1.0 . 2.40 951 787 A 57 ILE HA A 40 THR HB 1.0 . 3.10 952 788 A 44 VAL HA A 39 HIS HA 1.0 . 3.13 953 789 A 39 HIS HA A 39 HIS HBx 1.0 . 3.08 954 789 A 39 HIS HA A 39 HIS HBy 1.0 . 3.08 955 790 A 45 LEU HBx A 45 LEU HD1% 1.0 . 2.40 956 790 A 45 LEU HBy A 45 LEU HD1% 1.0 . 2.40 957 791 A 40 THR HG2% A 40 THR HB 1.0 . 2.60 958 792 A 40 THR HG2% A 45 LEU HD2% 1.0 . 2.40 959 793 A 49 ALA HB% A 46 SER HBx 1.0 . 3.15 960 794 A 49 ALA HB% A 46 SER HBy 1.0 . 3.31 961 795 A 22 ALA HB% A 47 GLU HA 1.0 . 2.70 962 796 A 48 ALA HA A 21 ARG HDx 1.0 . 3.32 963 796 A 48 ALA HA A 21 ARG HDy 1.0 . 3.32 964 797 A 48 ALA HB% A 21 ARG HDx 1.0 . 3.68 965 797 A 48 ALA HB% A 21 ARG HDy 1.0 . 3.68 966 798 A 43 ARG HA A 43 ARG HBx 1.0 . 2.40 967 798 A 43 ARG HBy A 43 ARG HA 1.0 . 2.40 968 799 A 60 PHE HBy A 60 PHE HBx 1.0 . 2.40 969 800 A 43 ARG HGx A 43 ARG HA 1.0 . 3.62 970 801 A 45 LEU HD2% A 45 LEU HBx 1.0 . 2.40 971 801 A 45 LEU HD2% A 45 LEU HBy 1.0 . 2.40 972 802 A 14 PHE HD% A 5 VAL HG2% 1.0 . 3.27 973 803 A 40 THR HG2% A 45 LEU HD1% 1.0 . 2.40 974 804 A 49 ALA HB% A 45 LEU HA 1.0 . 2.81 975 805 A 25 LEU HBy A 25 LEU HBx 1.0 . 2.55 976 806 A 25 LEU HBy A 25 LEU HG 1.0 . 3.03 977 807 A 42 GLY HAy A 42 GLY HAx 1.0 . 2.40 978 808 A 43 ARG HA A 43 ARG HGy 1.0 . 3.73 979 809 A 43 ARG HGx A 43 ARG HBx 1.0 . 2.40 980 809 A 43 ARG HGx A 43 ARG HBy 1.0 . 2.40 981 810 A 43 ARG HGy A 43 ARG HBx 1.0 . 2.47 982 810 A 43 ARG HBy A 43 ARG HGy 1.0 . 2.47 983 811 A 43 ARG HBy A 43 ARG HDx 1.0 . 2.41 984 811 A 43 ARG HBx A 43 ARG HDx 1.0 . 2.41 985 811 A 43 ARG HDy A 43 ARG HBx 1.0 . 2.41 986 811 A 43 ARG HBy A 43 ARG HDy 1.0 . 2.41 987 812 A 43 ARG HGy A 43 ARG HDx 1.0 . 2.40 988 812 A 43 ARG HDy A 43 ARG HGy 1.0 . 2.40 989 813 A 43 ARG HGx A 43 ARG HDx 1.0 . 2.40 990 813 A 43 ARG HGx A 43 ARG HDy 1.0 . 2.40 991 814 A 7 LEU HA A 7 LEU HBx 1.0 . 3.64 992 815 A 7 LEU HBx A 7 LEU HD1% 1.0 . 3.83 993 815 A 7 LEU HD2% A 7 LEU HBx 1.0 . 3.83 994 816 A 7 LEU HG A 7 LEU HBx 1.0 . 4.67 995 817 A 16 LEU HD2% A 17 PRO HDy 1.0 . 4.34 996 818 A 16 LEU HD2% A 17 PRO HDx 1.0 . 3.54 997 819 A 16 LEU HG A 16 LEU HD1% 1.0 . 2.40 998 820 A 50 GLU HBy A 50 GLU HA 1.0 . 2.47 999 821 A 16 LEU HA A 16 LEU HD1% 1.0 . 2.82 1000 822 A 45 LEU HD2% A 45 LEU HG 1.0 . 2.40 1001 823 A 22 ALA HB% A 45 LEU HD2% 1.0 . 2.40 1002 824 A 13 PRO HGx A 13 PRO HDy 1.0 . 5.09 1003 825 A 25 LEU HBx A 25 LEU HD2% 1.0 . 4.23 1004 826 A 4 ILE HD1% A 13 PRO HBx 1.0 . 3.84 1005 827 A 4 ILE HD1% A 13 PRO HBy 1.0 . 3.83 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 16 LEU H A 1 MET O 1.0 . 2.0 2 2 A 1 MET O A 16 LEU N 1.0 . 3.0 3 3 A 1 MET H1 A 16 LEU O 1.0 . 2.0 4 4 A 16 LEU O A 1 MET N 1.0 . 3.0 5 5 A 14 PHE H A 3 VAL O 1.0 . 2.0 6 6 A 3 VAL O A 14 PHE N 1.0 . 3.0 7 7 A 3 VAL H A 14 PHE O 1.0 . 2.0 8 8 A 14 PHE O A 3 VAL N 1.0 . 3.0 9 9 A 12 LEU H A 5 VAL O 1.0 . 2.0 10 10 A 5 VAL O A 12 LEU N 1.0 . 3.0 11 11 A 10 GLN H A 7 LEU O 1.0 . 2.0 12 12 A 7 LEU O A 10 GLN N 1.0 . 3.0 13 13 A 7 LEU H A 10 GLN O 1.0 . 2.0 14 14 A 10 GLN O A 7 LEU N 1.0 . 3.0 15 15 A 25 LEU H A 21 ARG O 1.0 . 2.0 16 16 A 21 ARG O A 25 LEU N 1.0 . 3.0 17 17 A 26 SER H A 22 ALA O 1.0 . 2.0 18 18 A 22 ALA O A 26 SER N 1.0 . 3.0 19 19 A 27 ASN H A 23 SER O 1.0 . 2.0 20 20 A 23 SER O A 27 ASN N 1.0 . 3.0 21 21 A 28 LEU H A 24 GLN O 1.0 . 2.0 22 22 A 24 GLN O A 28 LEU N 1.0 . 3.0 23 23 A 29 LEU H A 25 LEU O 1.0 . 2.0 24 24 A 25 LEU O A 29 LEU N 1.0 . 3.0 25 25 A 30 SER H A 26 SER O 1.0 . 2.0 26 26 A 26 SER O A 30 SER N 1.0 . 3.0 27 27 A 31 SER H A 27 ASN O 1.0 . 2.0 28 28 A 27 ASN O A 31 SER N 1.0 . 3.0 29 29 A 4 ILE H A 55 MET O 1.0 . 2.0 30 30 A 55 MET O A 4 ILE N 1.0 . 3.0 31 31 A 57 ILE H A 4 ILE O 1.0 . 2.0 32 32 A 4 ILE O A 57 ILE N 1.0 . 3.0 33 33 A 6 ARG H A 57 ILE O 1.0 . 2.0 34 34 A 57 ILE O A 6 ARG N 1.0 . 3.0 35 35 A 59 ALA H A 6 ARG O 1.0 . 2.0 36 36 A 6 ARG O A 59 ALA N 1.0 . 3.0 37 37 A 60 PHE H A 37 SER O 1.0 . 2.0 38 38 A 37 SER O A 60 PHE N 1.0 . 3.0 39 39 A 37 SER H A 60 PHE O 1.0 . 2.0 40 40 A 60 PHE O A 37 SER N 1.0 . 3.0 41 41 A 58 ASP H A 39 HIS O 1.0 . 2.0 42 42 A 39 HIS O A 58 ASP N 1.0 . 3.0 43 43 A 39 HIS H A 58 ASP O 1.0 . 2.0 44 44 A 58 ASP O A 39 HIS N 1.0 . 3.0 45 45 A 43 ARG H A 40 THR O 1.0 . 2.0 46 46 A 40 THR O A 43 ARG N 1.0 . 3.0 47 47 A 40 THR H A 43 ARG O 1.0 . 2.0 48 48 A 43 ARG O A 40 THR N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 LEU N A 2 LEU CA A 2 LEU C 1.0 -137.0 -77.0 PHI 2 2 A 2 LEU N A 2 LEU CA A 2 LEU C A 3 VAL N 1.0 102.0 162.0 PSI 3 3 A 2 LEU C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -149.0 -89.0 PHI 4 4 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 ILE N 1.0 103.0 163.0 PSI 5 5 A 3 VAL C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -137.0 -77.0 PHI 6 6 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 VAL N 1.0 95.0 155.0 PSI 7 7 A 4 ILE C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -143.0 -83.0 PHI 8 8 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 ARG N 1.0 99.0 159.0 PSI 9 9 A 5 VAL C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -131.0 -71.0 PHI 10 10 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 LEU N 1.0 96.0 156.0 PSI 11 11 A 6 ARG C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -142.0 -82.0 PHI 12 12 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 GLN N 1.0 103.0 163.0 PSI 13 13 A 7 LEU C A 8 GLN N A 8 GLN CA A 8 GLN C 1.0 -90.0 -30.0 PHI 14 14 A 8 GLN N A 8 GLN CA A 8 GLN C A 9 ASP N 1.0 -61.0 -1.0 PSI 15 15 A 9 ASP C A 10 GLN N A 10 GLN CA A 10 GLN C 1.0 -153.0 -93.0 PHI 16 16 A 10 GLN N A 10 GLN CA A 10 GLN C A 11 THR N 1.0 110.0 170.0 PSI 17 17 A 10 GLN C A 11 THR N A 11 THR CA A 11 THR C 1.0 -132.0 -72.0 PHI 18 18 A 11 THR N A 11 THR CA A 11 THR C A 12 LEU N 1.0 91.0 151.0 PSI 19 19 A 11 THR C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -155.0 -95.0 PHI 20 20 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 PRO N 1.0 114.0 174.0 PSI 21 21 A 13 PRO N A 13 PRO CA A 13 PRO C A 14 PHE N 1.0 103.0 163.0 PSI 22 22 A 13 PRO C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -158.0 -98.0 PHI 23 23 A 14 PHE N A 14 PHE CA A 14 PHE C A 15 GLU N 1.0 116.0 176.0 PSI 24 24 A 14 PHE C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -135.0 -75.0 PHI 25 25 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 LEU N 1.0 97.0 157.0 PSI 26 26 A 15 GLU C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -141.0 -81.0 PHI 27 27 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 PRO N 1.0 104.0 164.0 PSI 28 28 A 17 PRO N A 17 PRO CA A 17 PRO C A 18 ALA N 1.0 114.0 174.0 PSI 29 29 A 20 ALA C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -148.0 -88.0 PHI 30 30 A 21 ARG N A 21 ARG CA A 21 ARG C A 22 ALA N 1.0 124.0 184.0 PSI 31 31 A 21 ARG C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -90.0 -30.0 PHI 32 32 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 SER N 1.0 -69.0 -9.0 PSI 33 33 A 22 ALA C A 23 SER N A 23 SER CA A 23 SER C 1.0 -93.0 -33.0 PHI 34 34 A 23 SER N A 23 SER CA A 23 SER C A 24 GLN N 1.0 -72.0 -12.0 PSI 35 35 A 23 SER C A 24 GLN N A 24 GLN CA A 24 GLN C 1.0 -94.0 -34.0 PHI 36 36 A 24 GLN N A 24 GLN CA A 24 GLN C A 25 LEU N 1.0 -71.0 -11.0 PSI 37 37 A 24 GLN C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -96.0 -36.0 PHI 38 38 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 SER N 1.0 -69.0 -9.0 PSI 39 39 A 25 LEU C A 26 SER N A 26 SER CA A 26 SER C 1.0 -92.0 -32.0 PHI 40 40 A 26 SER N A 26 SER CA A 26 SER C A 27 ASN N 1.0 -69.0 -9.0 PSI 41 41 A 26 SER C A 27 ASN N A 27 ASN CA A 27 ASN C 1.0 -94.0 -34.0 PHI 42 42 A 27 ASN N A 27 ASN CA A 27 ASN C A 28 LEU N 1.0 -69.0 -9.0 PSI 43 43 A 27 ASN C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -96.0 -36.0 PHI 44 44 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 LEU N 1.0 -68.0 -8.0 PSI 45 45 A 28 LEU C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -98.0 -38.0 PHI 46 46 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 SER N 1.0 -66.0 -6.0 PSI 47 47 A 29 LEU C A 30 SER N A 30 SER CA A 30 SER C 1.0 -97.0 -37.0 PHI 48 48 A 30 SER N A 30 SER CA A 30 SER C A 31 SER N 1.0 -55.0 5.0 PSI 49 49 A 30 SER C A 31 SER N A 31 SER CA A 31 SER C 1.0 -103.0 -43.0 PHI 50 50 A 31 SER N A 31 SER CA A 31 SER C A 32 SER N 1.0 -51.0 9.0 PSI 51 51 A 35 ALA C A 36 PHE N A 36 PHE CA A 36 PHE C 1.0 -127.0 -67.0 PHI 52 52 A 36 PHE N A 36 PHE CA A 36 PHE C A 37 SER N 1.0 114.0 174.0 PSI 53 53 A 36 PHE C A 37 SER N A 37 SER CA A 37 SER C 1.0 -124.0 -64.0 PHI 54 54 A 37 SER N A 37 SER CA A 37 SER C A 38 LEU N 1.0 96.0 156.0 PSI 55 55 A 37 SER C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -130.0 -70.0 PHI 56 56 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 HIS N 1.0 99.0 159.0 PSI 57 57 A 38 LEU C A 39 HIS N A 39 HIS CA A 39 HIS C 1.0 -167.0 -107.0 PHI 58 58 A 39 HIS N A 39 HIS CA A 39 HIS C A 40 THR N 1.0 121.0 181.0 PSI 59 59 A 39 HIS C A 40 THR N A 40 THR CA A 40 THR C 1.0 -126.0 -66.0 PHI 60 60 A 40 THR N A 40 THR CA A 40 THR C A 41 GLN N 1.0 104.0 164.0 PSI 61 61 A 41 GLN C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 48.0 108.0 PHI 62 62 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 ARG N 1.0 -31.0 29.0 PSI 63 63 A 42 GLY C A 43 ARG N A 43 ARG CA A 43 ARG C 1.0 -135.0 -75.0 PHI 64 64 A 43 ARG N A 43 ARG CA A 43 ARG C A 44 VAL N 1.0 100.0 160.0 PSI 65 65 A 43 ARG C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -113.0 -53.0 PHI 66 66 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 LEU N 1.0 101.0 161.0 PSI 67 67 A 45 LEU C A 46 SER N A 46 SER CA A 46 SER C 1.0 -123.0 -63.0 PHI 68 68 A 46 SER N A 46 SER CA A 46 SER C A 47 GLU N 1.0 127.0 187.0 PSI 69 69 A 46 SER C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -89.0 -29.0 PHI 70 70 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 ALA N 1.0 -58.0 2.0 PSI 71 71 A 47 GLU C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -126.0 -66.0 PHI 72 72 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 ALA N 1.0 -33.0 27.0 PSI 73 73 A 55 MET C A 56 VAL N A 56 VAL CA A 56 VAL C 1.0 -140.0 -80.0 PHI 74 74 A 56 VAL N A 56 VAL CA A 56 VAL C A 57 ILE N 1.0 97.0 157.0 PSI 75 75 A 56 VAL C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -147.0 -87.0 PHI 76 76 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 ASP N 1.0 100.0 160.0 PSI 77 77 A 57 ILE C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -148.0 -88.0 PHI 78 78 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 ALA N 1.0 104.0 164.0 PSI 79 79 A 58 ASP C A 59 ALA N A 59 ALA CA A 59 ALA C 1.0 -145.0 -85.0 PHI 80 80 A 59 ALA N A 59 ALA CA A 59 ALA C A 60 PHE N 1.0 111.0 171.0 PSI 81 81 A 59 ALA C A 60 PHE N A 60 PHE CA A 60 PHE C 1.0 -153.0 -93.0 PHI 82 82 A 60 PHE N A 60 PHE CA A 60 PHE C A 61 VAL N 1.0 105.0 165.0 PSI 83 83 A 60 PHE C A 61 VAL N A 61 VAL CA A 61 VAL C 1.0 -124.0 -64.0 PHI 84 84 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 PRO N 1.0 93.0 153.0 PSI stop_ save_