data_nef_c16681_2kt1 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 ALA middle . . 3 A 3 GLY middle . false 4 A 4 PRO middle . false 5 A 5 GLU middle . . 6 A 6 GLY middle . false 7 A 7 PHE middle . . 8 A 8 GLN middle . . 9 A 9 TYR middle . . 10 A 10 ARG middle . . 11 A 11 ALA middle . . 12 A 12 LEU middle . . 13 A 13 TYR middle . . 14 A 14 PRO middle . false 15 A 15 PHE middle . . 16 A 16 ARG middle . . 17 A 17 ARG middle . . 18 A 18 GLU middle . . 19 A 19 ARG middle . . 20 A 20 PRO middle . false 21 A 21 GLU middle . . 22 A 22 ASP middle . . 23 A 23 LEU middle . . 24 A 24 GLU middle . . 25 A 25 LEU middle . . 26 A 26 LEU middle . . 27 A 27 PRO middle . false 28 A 28 GLY middle . false 29 A 29 ASP middle . . 30 A 30 VAL middle . . 31 A 31 LEU middle . . 32 A 32 VAL middle . . 33 A 33 VAL middle . . 34 A 34 SER middle . . 35 A 35 ARG middle . . 36 A 36 ALA middle . . 37 A 37 ALA middle . . 38 A 38 LEU middle . . 39 A 39 GLN middle . . 40 A 40 ALA middle . . 41 A 41 LEU middle . . 42 A 42 GLY middle . false 43 A 43 VAL middle . . 44 A 44 ALA middle . . 45 A 45 GLU middle . . 46 A 46 GLY middle . false 47 A 47 GLY middle . false 48 A 48 GLU middle . . 49 A 49 ARG middle . . 50 A 50 CYS middle . . 51 A 51 PRO middle . false 52 A 52 GLN middle . . 53 A 53 SER middle . . 54 A 54 VAL middle . . 55 A 55 GLY middle . false 56 A 56 TRP middle . . 57 A 57 MET middle . . 58 A 58 PRO middle . false 59 A 59 GLY middle . false 60 A 60 LEU middle . . 61 A 61 ASN middle . . 62 A 62 GLU middle . . 63 A 63 ARG middle . . 64 A 64 THR middle . . 65 A 65 ARG middle . . 66 A 66 GLN middle . . 67 A 67 ARG middle . . 68 A 68 GLY middle . false 69 A 69 ASP middle . . 70 A 70 PHE middle . . 71 A 71 PRO middle . false 72 A 72 GLY middle . false 73 A 73 THR middle . . 74 A 74 TYR middle . . 75 A 75 VAL middle . . 76 A 76 GLU middle . . 77 A 77 PHE middle . . 78 A 78 LEU middle . . 79 A 79 GLY middle . false 80 A 80 PRO middle . false 81 A 81 LEU middle . . 82 A 82 GLU middle . . 83 A 83 HIS middle . . 84 A 84 HIS middle . . 85 A 85 HIS middle . . 86 A 86 HIS middle . . 87 A 87 HIS middle . . 88 A 88 HIS 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 2 ALA HA H 1 4.085 0.02 A 2 ALA HB% H 1 1.511 0.02 A 2 ALA CA C 13 52.071 0.2 A 2 ALA CB C 13 19.683 0.2 A 3 GLY HAx H 1 4.117 0.02 A 3 GLY HAy H 1 4.117 0.02 A 3 GLY CA C 13 44.490 0.2 A 4 PRO HA H 1 4.435 0.02 A 4 PRO HBy H 1 2.199 0.02 A 4 PRO HBx H 1 1.726 0.02 A 4 PRO HDx H 1 3.624 0.02 A 4 PRO HDy H 1 3.624 0.02 A 4 PRO HGy H 1 2.038 0.02 A 4 PRO HGx H 1 1.958 0.02 A 4 PRO CA C 13 63.051 0.2 A 4 PRO CB C 13 32.310 0.2 A 4 PRO CD C 13 49.680 0.2 A 4 PRO CG C 13 27.518 0.2 A 5 GLU H H 1 8.627 0.02 A 5 GLU HA H 1 4.301 0.02 A 5 GLU HBy H 1 2.061 0.02 A 5 GLU HBx H 1 1.846 0.02 A 5 GLU HGy H 1 2.333 0.02 A 5 GLU HGx H 1 2.250 0.02 A 5 GLU C C 13 177.522 0.2 A 5 GLU CA C 13 56.869 0.2 A 5 GLU CB C 13 30.672 0.2 A 5 GLU CG C 13 36.427 0.2 A 5 GLU N N 15 119.666 0.2 A 6 GLY H H 1 7.617 0.02 A 6 GLY HAy H 1 4.167 0.02 A 6 GLY HAx H 1 3.991 0.02 A 6 GLY C C 13 170.113 0.2 A 6 GLY CA C 13 45.373 0.2 A 6 GLY N N 15 106.780 0.2 A 7 PHE H H 1 9.333 0.02 A 7 PHE HA H 1 5.026 0.02 A 7 PHE HBy H 1 3.043 0.02 A 7 PHE HBx H 1 2.792 0.02 A 7 PHE HDy H 1 7.102 0.02 A 7 PHE HDx H 1 7.100 0.02 A 7 PHE HE1 H 1 7.333 0.02 A 7 PHE HE2 H 1 7.333 0.02 A 7 PHE HZ H 1 7.303 0.02 A 7 PHE C C 13 173.125 0.2 A 7 PHE CA C 13 57.049 0.2 A 7 PHE CB C 13 44.428 0.2 A 7 PHE CDy C 13 132.241 0.2 A 7 PHE CDx C 13 132.218 0.2 A 7 PHE CE1 C 13 130.937 0.2 A 7 PHE CE2 C 13 130.937 0.2 A 7 PHE CZ C 13 130.257 0.2 A 7 PHE N N 15 117.460 0.2 A 8 GLN H H 1 8.874 0.02 A 8 GLN HA H 1 5.658 0.02 A 8 GLN HBx H 1 1.861 0.02 A 8 GLN HBy H 1 1.861 0.02 A 8 GLN HE21 H 1 6.947 0.02 A 8 GLN HE22 H 1 6.700 0.02 A 8 GLN HGy H 1 2.041 0.02 A 8 GLN HGx H 1 1.986 0.02 A 8 GLN C C 13 174.506 0.2 A 8 GLN CA C 13 53.804 0.2 A 8 GLN CB C 13 32.708 0.2 A 8 GLN CD C 13 178.82 0.2 A 8 GLN CG C 13 35.492 0.2 A 8 GLN N N 15 117.471 0.2 A 8 GLN NE2 N 15 112.204 0.2 A 9 TYR H H 1 9.296 0.02 A 9 TYR HA H 1 5.084 0.02 A 9 TYR HBy H 1 2.861 0.02 A 9 TYR HBx H 1 2.530 0.02 A 9 TYR HDy H 1 6.966 0.02 A 9 TYR HDx H 1 6.965 0.02 A 9 TYR HEy H 1 6.792 0.02 A 9 TYR HEx H 1 6.789 0.02 A 9 TYR C C 13 173.549 0.2 A 9 TYR CA C 13 56.866 0.2 A 9 TYR CB C 13 43.053 0.2 A 9 TYR CDy C 13 132.954 0.2 A 9 TYR CDx C 13 132.899 0.2 A 9 TYR CEy C 13 117.616 0.2 A 9 TYR CEx C 13 117.585 0.2 A 9 TYR N N 15 120.508 0.2 A 10 ARG H H 1 9.277 0.02 A 10 ARG HA H 1 5.546 0.02 A 10 ARG HBy H 1 1.872 0.02 A 10 ARG HBx H 1 1.538 0.02 A 10 ARG HDy H 1 3.234 0.02 A 10 ARG HDx H 1 3.126 0.02 A 10 ARG HGx H 1 1.434 0.02 A 10 ARG HGy H 1 1.434 0.02 A 10 ARG C C 13 176.181 0.2 A 10 ARG CA C 13 53.667 0.2 A 10 ARG CB C 13 34.481 0.2 A 10 ARG CD C 13 43.743 0.2 A 10 ARG CG C 13 26.723 0.2 A 10 ARG N N 15 120.366 0.2 A 11 ALA H H 1 9.360 0.02 A 11 ALA HA H 1 4.482 0.02 A 11 ALA HB% H 1 1.496 0.02 A 11 ALA C C 13 178.230 0.2 A 11 ALA CA C 13 52.887 0.2 A 11 ALA CB C 13 19.874 0.2 A 11 ALA N N 15 128.144 0.2 A 12 LEU H H 1 9.343 0.02 A 12 LEU HA H 1 4.156 0.02 A 12 LEU HBy H 1 0.848 0.02 A 12 LEU HBx H 1 0.549 0.02 A 12 LEU HD1% H 1 0.656 0.02 A 12 LEU HD2% H 1 0.634 0.02 A 12 LEU HG H 1 1.387 0.02 A 12 LEU C C 13 175.739 0.2 A 12 LEU CA C 13 55.258 0.2 A 12 LEU CB C 13 43.735 0.2 A 12 LEU CD1 C 13 25.416 0.2 A 12 LEU CD2 C 13 22.237 0.2 A 12 LEU CG C 13 26.849 0.2 A 12 LEU N N 15 123.349 0.2 A 13 TYR H H 1 6.938 0.02 A 13 TYR HA H 1 5.050 0.02 A 13 TYR HBy H 1 3.205 0.02 A 13 TYR HBx H 1 2.324 0.02 A 13 TYR HDx H 1 6.757 0.02 A 13 TYR HDy H 1 6.757 0.02 A 13 TYR HEx H 1 6.700 0.02 A 13 TYR HEy H 1 6.700 0.02 A 13 TYR C C 13 171.571 0.2 A 13 TYR CA C 13 53.285 0.2 A 13 TYR CB C 13 40.427 0.2 A 13 TYR CDy C 13 133.780 0.2 A 13 TYR CDx C 13 133.749 0.2 A 13 TYR CEx C 13 117.879 0.2 A 13 TYR CEy C 13 117.879 0.2 A 13 TYR N N 15 114.866 0.2 A 14 PRO HA H 1 4.626 0.02 A 14 PRO HBy H 1 2.358 0.02 A 14 PRO HBx H 1 2.079 0.02 A 14 PRO HDy H 1 3.890 0.02 A 14 PRO HDx H 1 3.785 0.02 A 14 PRO HGy H 1 2.283 0.02 A 14 PRO HGx H 1 2.071 0.02 A 14 PRO CA C 13 61.886 0.2 A 14 PRO CB C 13 32.286 0.2 A 14 PRO CD C 13 50.107 0.2 A 14 PRO CG C 13 27.261 0.2 A 15 PHE HA H 1 4.920 0.02 A 15 PHE HBy H 1 3.031 0.02 A 15 PHE HBx H 1 2.812 0.02 A 15 PHE HD1 H 1 7.317 0.02 A 15 PHE HD2 H 1 7.317 0.02 A 15 PHE HE1 H 1 7.397 0.02 A 15 PHE HE2 H 1 7.397 0.02 A 15 PHE HZ H 1 7.562 0.02 A 15 PHE CA C 13 57.646 0.2 A 15 PHE CB C 13 42.665 0.2 A 15 PHE CD1 C 13 132.219 0.2 A 15 PHE CD2 C 13 132.219 0.2 A 15 PHE CE1 C 13 131.205 0.2 A 15 PHE CE2 C 13 131.205 0.2 A 15 PHE CZ C 13 130.356 0.2 A 16 ARG HA H 1 4.317 0.02 A 16 ARG HBy H 1 1.620 0.02 A 16 ARG HBx H 1 1.564 0.02 A 16 ARG HDx H 1 3.161 0.02 A 16 ARG HDy H 1 3.161 0.02 A 16 ARG HGy H 1 1.606 0.02 A 16 ARG HGx H 1 1.503 0.02 A 16 ARG C C 13 174.727 0.2 A 16 ARG CA C 13 54.63 0.2 A 16 ARG CB C 13 30.77 0.2 A 16 ARG CD C 13 43.31 0.2 A 16 ARG CG C 13 27.15 0.2 A 17 ARG H H 1 8.417 0.02 A 17 ARG HA H 1 3.982 0.02 A 17 ARG HBy H 1 1.829 0.02 A 17 ARG HBx H 1 1.619 0.02 A 17 ARG HDy H 1 3.261 0.02 A 17 ARG HDx H 1 3.238 0.02 A 17 ARG HGy H 1 1.763 0.02 A 17 ARG HGx H 1 1.377 0.02 A 17 ARG C C 13 176.04 0.2 A 17 ARG CA C 13 56.81 0.2 A 17 ARG CB C 13 30.72 0.2 A 17 ARG CD C 13 44.52 0.2 A 17 ARG CG C 13 27.09 0.2 A 17 ARG N N 15 122.269 0.2 A 18 GLU HA H 1 4.461 0.02 A 18 GLU HBy H 1 2.103 0.02 A 18 GLU HBx H 1 1.929 0.02 A 18 GLU HGx H 1 2.134 0.02 A 18 GLU HGy H 1 2.134 0.02 A 18 GLU C C 13 176.27 0.2 A 18 GLU CA C 13 56.82 0.2 A 18 GLU CB C 13 31.60 0.2 A 18 GLU CG C 13 36.35 0.2 A 19 ARG H H 1 8.296 0.02 A 19 ARG HA H 1 4.677 0.02 A 19 ARG C C 13 175.58 0.2 A 19 ARG CA C 13 53.41 0.2 A 19 ARG N N 15 120.686 0.2 A 20 PRO HA H 1 4.207 0.02 A 20 PRO HBy H 1 2.345 0.02 A 20 PRO HBx H 1 1.880 0.02 A 20 PRO HDx H 1 3.785 0.02 A 20 PRO HDy H 1 3.785 0.02 A 20 PRO HGy H 1 2.155 0.02 A 20 PRO HGx H 1 1.975 0.02 A 20 PRO CA C 13 65.076 0.2 A 20 PRO CB C 13 31.867 0.2 A 20 PRO CD C 13 50.094 0.2 A 20 PRO CG C 13 27.691 0.2 A 21 GLU H H 1 8.902 0.02 A 21 GLU HA H 1 4.168 0.02 A 21 GLU HBy H 1 2.070 0.02 A 21 GLU HBx H 1 1.857 0.02 A 21 GLU HGy H 1 2.348 0.02 A 21 GLU HGx H 1 2.159 0.02 A 21 GLU C C 13 176.499 0.2 A 21 GLU CA C 13 58.247 0.2 A 21 GLU CB C 13 29.225 0.2 A 21 GLU CG C 13 36.959 0.2 A 21 GLU N N 15 114.251 0.2 A 22 ASP H H 1 7.522 0.02 A 22 ASP HA H 1 5.181 0.02 A 22 ASP HBx H 1 2.966 0.02 A 22 ASP HBy H 1 2.968 0.02 A 22 ASP C C 13 175.850 0.2 A 22 ASP CA C 13 55.094 0.2 A 22 ASP CB C 13 43.069 0.2 A 22 ASP N N 15 120.231 0.2 A 23 LEU H H 1 8.863 0.02 A 23 LEU HA H 1 4.419 0.02 A 23 LEU HBy H 1 1.772 0.02 A 23 LEU HBx H 1 0.992 0.02 A 23 LEU HD1% H 1 0.778 0.02 A 23 LEU HD2% H 1 0.762 0.02 A 23 LEU HG H 1 1.392 0.02 A 23 LEU C C 13 173.853 0.2 A 23 LEU CA C 13 53.281 0.2 A 23 LEU CB C 13 45.153 0.2 A 23 LEU CD1 C 13 24.952 0.2 A 23 LEU CD2 C 13 25.594 0.2 A 23 LEU CG C 13 26.249 0.2 A 23 LEU N N 15 123.392 0.2 A 24 GLU H H 1 7.710 0.02 A 24 GLU HA H 1 4.507 0.02 A 24 GLU HBy H 1 2.053 0.02 A 24 GLU HBx H 1 1.954 0.02 A 24 GLU HGy H 1 2.454 0.02 A 24 GLU HGx H 1 2.040 0.02 A 24 GLU CA C 13 56.72 0.2 A 24 GLU CB C 13 30.69 0.2 A 24 GLU CG C 13 36.71 0.2 A 24 GLU N N 15 121.367 0.2 A 25 LEU HA H 1 4.825 0.02 A 25 LEU HBy H 1 2.086 0.02 A 25 LEU HBx H 1 1.304 0.02 A 25 LEU HD1% H 1 0.796 0.02 A 25 LEU HD2% H 1 0.680 0.02 A 25 LEU HG H 1 2.093 0.02 A 25 LEU C C 13 176.917 0.2 A 25 LEU CA C 13 53.693 0.2 A 25 LEU CB C 13 45.436 0.2 A 25 LEU CD1 C 13 24.802 0.2 A 25 LEU CD2 C 13 25.389 0.2 A 25 LEU CG C 13 26.590 0.2 A 26 LEU H H 1 8.643 0.02 A 26 LEU HA H 1 4.751 0.02 A 26 LEU HBy H 1 1.607 0.02 A 26 LEU HBx H 1 1.330 0.02 A 26 LEU HD1% H 1 0.849 0.02 A 26 LEU HD2% H 1 1.011 0.02 A 26 LEU HG H 1 1.509 0.02 A 26 LEU C C 13 173.598 0.2 A 26 LEU CA C 13 52.145 0.2 A 26 LEU CB C 13 42.830 0.2 A 26 LEU CD1 C 13 24.992 0.2 A 26 LEU CD2 C 13 23.115 0.2 A 26 LEU CG C 13 27.100 0.2 A 26 LEU N N 15 123.850 0.2 A 27 PRO HA H 1 3.593 0.02 A 27 PRO HBy H 1 1.936 0.02 A 27 PRO HBx H 1 1.813 0.02 A 27 PRO HDy H 1 3.597 0.02 A 27 PRO HDx H 1 3.260 0.02 A 27 PRO HGy H 1 2.265 0.02 A 27 PRO HGx H 1 1.489 0.02 A 27 PRO C C 13 177.165 0.2 A 27 PRO CA C 13 63.660 0.2 A 27 PRO CB C 13 30.986 0.2 A 27 PRO CD C 13 50.264 0.2 A 27 PRO CG C 13 28.287 0.2 A 28 GLY H H 1 8.970 0.02 A 28 GLY HAy H 1 4.526 0.02 A 28 GLY HAx H 1 3.372 0.02 A 28 GLY C C 13 174.324 0.2 A 28 GLY CA C 13 44.734 0.2 A 28 GLY N N 15 113.325 0.2 A 29 ASP H H 1 8.146 0.02 A 29 ASP HA H 1 4.513 0.02 A 29 ASP HBx H 1 2.641 0.02 A 29 ASP HBy H 1 2.641 0.02 A 29 ASP C C 13 174.902 0.2 A 29 ASP CA C 13 56.136 0.2 A 29 ASP CB C 13 41.460 0.2 A 29 ASP N N 15 122.774 0.2 A 30 VAL H H 1 8.466 0.02 A 30 VAL HA H 1 4.776 0.02 A 30 VAL HB H 1 1.940 0.02 A 30 VAL HG1% H 1 0.866 0.02 A 30 VAL HG2% H 1 0.924 0.02 A 30 VAL C C 13 174.339 0.2 A 30 VAL CA C 13 62.045 0.2 A 30 VAL CB C 13 32.419 0.2 A 30 VAL CG1 C 13 21.717 0.2 A 30 VAL CG2 C 13 21.886 0.2 A 30 VAL N N 15 123.335 0.2 A 31 LEU H H 1 9.198 0.02 A 31 LEU HA H 1 5.577 0.02 A 31 LEU HBy H 1 1.370 0.02 A 31 LEU HBx H 1 1.050 0.02 A 31 LEU HD1% H 1 0.173 0.02 A 31 LEU HD2% H 1 0.442 0.02 A 31 LEU HG H 1 0.909 0.02 A 31 LEU C C 13 176.757 0.2 A 31 LEU CA C 13 51.594 0.2 A 31 LEU CB C 13 44.200 0.2 A 31 LEU CD1 C 13 24.503 0.2 A 31 LEU CD2 C 13 24.895 0.2 A 31 LEU CG C 13 27.064 0.2 A 31 LEU N N 15 127.257 0.2 A 32 VAL H H 1 9.080 0.02 A 32 VAL HA H 1 5.038 0.02 A 32 VAL HB H 1 1.988 0.02 A 32 VAL HG1% H 1 0.881 0.02 A 32 VAL HG2% H 1 1.012 0.02 A 32 VAL C C 13 176.644 0.2 A 32 VAL CA C 13 61.559 0.2 A 32 VAL CB C 13 34.505 0.2 A 32 VAL CG1 C 13 21.693 0.2 A 32 VAL CG2 C 13 21.963 0.2 A 32 VAL N N 15 120.491 0.2 A 33 VAL H H 1 9.334 0.02 A 33 VAL HA H 1 4.721 0.02 A 33 VAL HB H 1 2.309 0.02 A 33 VAL HG1% H 1 1.360 0.02 A 33 VAL HG2% H 1 1.338 0.02 A 33 VAL C C 13 175.333 0.2 A 33 VAL CA C 13 60.978 0.2 A 33 VAL CB C 13 36.719 0.2 A 33 VAL CG1 C 13 20.078 0.2 A 33 VAL CG2 C 13 21.755 0.2 A 33 VAL N N 15 130.474 0.2 A 34 SER H H 1 9.248 0.02 A 34 SER HA H 1 4.761 0.02 A 34 SER HBy H 1 4.423 0.02 A 34 SER HBx H 1 4.075 0.02 A 34 SER C C 13 174.973 0.2 A 34 SER CA C 13 58.009 0.2 A 34 SER CB C 13 64.614 0.2 A 34 SER N N 15 123.191 0.2 A 35 ARG H H 1 8.640 0.02 A 35 ARG HA H 1 4.209 0.02 A 35 ARG HBy H 1 1.877 0.02 A 35 ARG HBx H 1 1.619 0.02 A 35 ARG HDx H 1 3.311 0.02 A 35 ARG HDy H 1 3.311 0.02 A 35 ARG C C 13 178.346 0.2 A 35 ARG CA C 13 59.922 0.2 A 35 ARG CB C 13 29.703 0.2 A 35 ARG CD C 13 43.470 0.2 A 35 ARG N N 15 125.841 0.2 A 36 ALA H H 1 8.643 0.02 A 36 ALA HA H 1 4.217 0.02 A 36 ALA HB% H 1 1.463 0.02 A 36 ALA C C 13 180.654 0.2 A 36 ALA CA C 13 55.162 0.2 A 36 ALA CB C 13 18.058 0.2 A 36 ALA N N 15 120.872 0.2 A 37 ALA H H 1 8.020 0.02 A 37 ALA HA H 1 4.169 0.02 A 37 ALA HB% H 1 1.624 0.02 A 37 ALA C C 13 180.686 0.2 A 37 ALA CA C 13 55.087 0.2 A 37 ALA CB C 13 18.784 0.2 A 37 ALA N N 15 121.787 0.2 A 38 LEU H H 1 7.502 0.02 A 38 LEU HA H 1 4.062 0.02 A 38 LEU HBy H 1 2.152 0.02 A 38 LEU HBx H 1 1.406 0.02 A 38 LEU HD1% H 1 1.014 0.02 A 38 LEU HD2% H 1 0.857 0.02 A 38 LEU HG H 1 1.955 0.02 A 38 LEU C C 13 179.496 0.2 A 38 LEU CA C 13 58.007 0.2 A 38 LEU CB C 13 41.032 0.2 A 38 LEU CD1 C 13 26.805 0.2 A 38 LEU CD2 C 13 23.174 0.2 A 38 LEU CG C 13 26.959 0.2 A 38 LEU N N 15 117.533 0.2 A 39 GLN H H 1 8.652 0.02 A 39 GLN HA H 1 4.109 0.02 A 39 GLN HBy H 1 2.256 0.02 A 39 GLN HBx H 1 2.116 0.02 A 39 GLN HE21 H 1 7.593 0.02 A 39 GLN HE22 H 1 6.782 0.02 A 39 GLN HGy H 1 2.554 0.02 A 39 GLN HGx H 1 2.429 0.02 A 39 GLN C C 13 180.748 0.2 A 39 GLN CA C 13 59.351 0.2 A 39 GLN CB C 13 28.205 0.2 A 39 GLN CD C 13 180.17 0.2 A 39 GLN CG C 13 34.407 0.2 A 39 GLN N N 15 119.838 0.2 A 39 GLN NE2 N 15 111.496 0.2 A 40 ALA H H 1 7.985 0.02 A 40 ALA HA H 1 4.192 0.02 A 40 ALA HB% H 1 1.565 0.02 A 40 ALA C C 13 179.370 0.2 A 40 ALA CA C 13 54.906 0.2 A 40 ALA CB C 13 17.849 0.2 A 40 ALA N N 15 123.057 0.2 A 41 LEU H H 1 7.406 0.02 A 41 LEU HA H 1 4.338 0.02 A 41 LEU HBy H 1 1.970 0.02 A 41 LEU HBx H 1 1.742 0.02 A 41 LEU HD1% H 1 0.902 0.02 A 41 LEU HD2% H 1 0.950 0.02 A 41 LEU HG H 1 1.886 0.02 A 41 LEU C C 13 177.447 0.2 A 41 LEU CA C 13 55.110 0.2 A 41 LEU CB C 13 43.228 0.2 A 41 LEU CD1 C 13 25.373 0.2 A 41 LEU CD2 C 13 22.742 0.2 A 41 LEU CG C 13 26.842 0.2 A 41 LEU N N 15 117.421 0.2 A 42 GLY H H 1 7.894 0.02 A 42 GLY HAy H 1 4.119 0.02 A 42 GLY HAx H 1 3.747 0.02 A 42 GLY C C 13 174.578 0.2 A 42 GLY CA C 13 45.648 0.2 A 42 GLY N N 15 107.669 0.2 A 43 VAL H H 1 7.601 0.02 A 43 VAL HA H 1 3.772 0.02 A 43 VAL HB H 1 1.799 0.02 A 43 VAL HG1% H 1 0.817 0.02 A 43 VAL HG2% H 1 0.902 0.02 A 43 VAL C C 13 175.768 0.2 A 43 VAL CA C 13 62.794 0.2 A 43 VAL CB C 13 31.450 0.2 A 43 VAL CG1 C 13 20.605 0.2 A 43 VAL CG2 C 13 22.674 0.2 A 43 VAL N N 15 121.739 0.2 A 44 ALA H H 1 8.575 0.02 A 44 ALA HA H 1 4.308 0.02 A 44 ALA HB% H 1 1.386 0.02 A 44 ALA C C 13 177.777 0.2 A 44 ALA CA C 13 51.541 0.2 A 44 ALA CB C 13 19.812 0.2 A 44 ALA N N 15 132.493 0.2 A 45 GLU H H 1 8.574 0.02 A 45 GLU HA H 1 4.108 0.02 A 45 GLU HBy H 1 2.010 0.02 A 45 GLU HBx H 1 2.009 0.02 A 45 GLU HGy H 1 2.347 0.02 A 45 GLU HGx H 1 2.323 0.02 A 45 GLU C C 13 177.609 0.2 A 45 GLU CA C 13 59.067 0.2 A 45 GLU CB C 13 29.226 0.2 A 45 GLU CG C 13 36.308 0.2 A 45 GLU N N 15 121.821 0.2 A 46 GLY H H 1 9.206 0.02 A 46 GLY HAy H 1 4.335 0.02 A 46 GLY HAx H 1 3.532 0.02 A 46 GLY C C 13 177.005 0.2 A 46 GLY CA C 13 45.566 0.2 A 46 GLY N N 15 119.304 0.2 A 47 GLY H H 1 8.983 0.02 A 47 GLY HAy H 1 3.731 0.02 A 47 GLY HAx H 1 3.532 0.02 A 47 GLY C C 13 175.667 0.2 A 47 GLY CA C 13 46.382 0.2 A 47 GLY N N 15 110.930 0.2 A 48 GLU H H 1 9.667 0.02 A 48 GLU HA H 1 3.618 0.02 A 48 GLU HBy H 1 1.394 0.02 A 48 GLU HBx H 1 1.151 0.02 A 48 GLU HGy H 1 0.980 0.02 A 48 GLU HGx H 1 0.742 0.02 A 48 GLU C C 13 176.519 0.2 A 48 GLU CA C 13 57.962 0.2 A 48 GLU CB C 13 26.157 0.2 A 48 GLU CG C 13 33.942 0.2 A 48 GLU N N 15 120.574 0.2 A 49 ARG H H 1 6.577 0.02 A 49 ARG HA H 1 3.126 0.02 A 49 ARG HBy H 1 1.605 0.02 A 49 ARG HBx H 1 1.458 0.02 A 49 ARG HDx H 1 2.968 0.02 A 49 ARG HDy H 1 2.968 0.02 A 49 ARG HGy H 1 1.040 0.02 A 49 ARG HGx H 1 0.562 0.02 A 49 ARG C C 13 174.649 0.2 A 49 ARG CA C 13 56.372 0.2 A 49 ARG CB C 13 29.845 0.2 A 49 ARG CD C 13 43.204 0.2 A 49 ARG CG C 13 27.796 0.2 A 49 ARG N N 15 116.378 0.2 A 50 CYS H H 1 7.294 0.02 A 50 CYS HA H 1 5.029 0.02 A 50 CYS HBy H 1 2.914 0.02 A 50 CYS HBx H 1 2.711 0.02 A 50 CYS C C 13 172.734 0.2 A 50 CYS CA C 13 55.405 0.2 A 50 CYS CB C 13 27.188 0.2 A 50 CYS N N 15 117.066 0.2 A 51 PRO HA H 1 4.024 0.02 A 51 PRO HBy H 1 2.348 0.02 A 51 PRO HBx H 1 1.846 0.02 A 51 PRO HDy H 1 4.137 0.02 A 51 PRO HDx H 1 3.435 0.02 A 51 PRO HGy H 1 2.324 0.02 A 51 PRO HGx H 1 1.985 0.02 A 51 PRO C C 13 176.802 0.2 A 51 PRO CA C 13 64.744 0.2 A 51 PRO CB C 13 30.762 0.2 A 51 PRO CD C 13 51.114 0.2 A 51 PRO CG C 13 27.744 0.2 A 52 GLN H H 1 9.148 0.02 A 52 GLN HA H 1 3.653 0.02 A 52 GLN HBy H 1 2.127 0.02 A 52 GLN HBx H 1 2.056 0.02 A 52 GLN HE21 H 1 7.589 0.02 A 52 GLN HE22 H 1 7.011 0.02 A 52 GLN HGy H 1 2.547 0.02 A 52 GLN HGx H 1 2.425 0.02 A 52 GLN C C 13 176.851 0.2 A 52 GLN CA C 13 58.347 0.2 A 52 GLN CB C 13 26.816 0.2 A 52 GLN CD C 13 181.15 0.2 A 52 GLN CG C 13 33.164 0.2 A 52 GLN N N 15 116.900 0.2 A 52 GLN NE2 N 15 112.036 0.2 A 53 SER H H 1 7.724 0.02 A 53 SER HA H 1 4.468 0.02 A 53 SER HBy H 1 3.984 0.02 A 53 SER HBx H 1 3.924 0.02 A 53 SER C C 13 174.556 0.2 A 53 SER CA C 13 58.811 0.2 A 53 SER CB C 13 64.042 0.2 A 53 SER N N 15 114.659 0.2 A 54 VAL H H 1 7.477 0.02 A 54 VAL HA H 1 3.751 0.02 A 54 VAL HB H 1 1.980 0.02 A 54 VAL HG1% H 1 0.727 0.02 A 54 VAL HG2% H 1 0.777 0.02 A 54 VAL C C 13 175.977 0.2 A 54 VAL CA C 13 64.069 0.2 A 54 VAL CB C 13 32.365 0.2 A 54 VAL CG1 C 13 21.975 0.2 A 54 VAL CG2 C 13 21.900 0.2 A 54 VAL N N 15 122.988 0.2 A 55 GLY H H 1 7.638 0.02 A 55 GLY HAy H 1 4.245 0.02 A 55 GLY HAx H 1 3.426 0.02 A 55 GLY C C 13 173.971 0.2 A 55 GLY CA C 13 45.547 0.2 A 55 GLY N N 15 107.839 0.2 A 56 TRP H H 1 8.171 0.02 A 56 TRP HA H 1 4.578 0.02 A 56 TRP HBy H 1 2.813 0.02 A 56 TRP HBx H 1 2.742 0.02 A 56 TRP HD1 H 1 7.191 0.02 A 56 TRP C C 13 175.712 0.2 A 56 TRP CA C 13 57.305 0.2 A 56 TRP CB C 13 30.206 0.2 A 56 TRP CD1 C 13 126.608 0.2 A 56 TRP N N 15 124.633 0.2 A 57 MET H H 1 8.486 0.02 A 57 MET HA H 1 4.616 0.02 A 57 MET HBy H 1 1.362 0.02 A 57 MET HBx H 1 0.848 0.02 A 57 MET HE% H 1 1.427 0.02 A 57 MET HGy H 1 1.761 0.02 A 57 MET HGx H 1 1.701 0.02 A 57 MET C C 13 171.547 0.2 A 57 MET CA C 13 52.423 0.2 A 57 MET CB C 13 36.038 0.2 A 57 MET CE C 13 17.099 0.2 A 57 MET CG C 13 32.354 0.2 A 57 MET N N 15 120.382 0.2 A 58 PRO HA H 1 5.408 0.02 A 58 PRO HBy H 1 2.191 0.02 A 58 PRO HBx H 1 1.899 0.02 A 58 PRO HDy H 1 3.750 0.02 A 58 PRO HDx H 1 3.391 0.02 A 58 PRO HGy H 1 2.322 0.02 A 58 PRO HGx H 1 2.177 0.02 A 58 PRO C C 13 178.407 0.2 A 58 PRO CA C 13 61.034 0.2 A 58 PRO CB C 13 31.511 0.2 A 58 PRO CD C 13 49.651 0.2 A 58 PRO CG C 13 27.321 0.2 A 59 GLY H H 1 9.369 0.02 A 59 GLY HAy H 1 5.011 0.02 A 59 GLY HAx H 1 3.854 0.02 A 59 GLY C C 13 170.572 0.2 A 59 GLY CA C 13 46.028 0.2 A 59 GLY N N 15 108.562 0.2 A 60 LEU H H 1 8.225 0.02 A 60 LEU HA H 1 5.138 0.02 A 60 LEU HBy H 1 1.718 0.02 A 60 LEU HBx H 1 1.504 0.02 A 60 LEU HD1% H 1 0.687 0.02 A 60 LEU HD2% H 1 0.772 0.02 A 60 LEU HG H 1 1.272 0.02 A 60 LEU C C 13 175.484 0.2 A 60 LEU CA C 13 53.224 0.2 A 60 LEU CB C 13 45.778 0.2 A 60 LEU CD1 C 13 24.269 0.2 A 60 LEU CD2 C 13 25.763 0.2 A 60 LEU CG C 13 27.439 0.2 A 60 LEU N N 15 120.542 0.2 A 61 ASN H H 1 8.750 0.02 A 61 ASN HA H 1 4.992 0.02 A 61 ASN HBy H 1 3.494 0.02 A 61 ASN HBx H 1 2.227 0.02 A 61 ASN HD2y H 1 8.258 0.02 A 61 ASN HD2x H 1 6.186 0.02 A 61 ASN C C 13 176.100 0.2 A 61 ASN CA C 13 52.528 0.2 A 61 ASN CB C 13 40.417 0.2 A 61 ASN N N 15 124.567 0.2 A 61 ASN ND2 N 15 113.077 0.2 A 62 GLU H H 1 9.396 0.02 A 62 GLU HA H 1 3.951 0.02 A 62 GLU HBx H 1 2.081 0.02 A 62 GLU HBy H 1 2.081 0.02 A 62 GLU HGy H 1 2.353 0.02 A 62 GLU HGx H 1 2.041 0.02 A 62 GLU C C 13 178.045 0.2 A 62 GLU CA C 13 60.042 0.2 A 62 GLU CB C 13 30.453 0.2 A 62 GLU CG C 13 37.259 0.2 A 62 GLU N N 15 126.393 0.2 A 63 ARG H H 1 8.623 0.02 A 63 ARG HA H 1 4.253 0.02 A 63 ARG HBy H 1 2.066 0.02 A 63 ARG HBx H 1 1.876 0.02 A 63 ARG HDy H 1 3.449 0.02 A 63 ARG HDx H 1 3.041 0.02 A 63 ARG HE H 1 9.878 0.02 A 63 ARG C C 13 178.002 0.2 A 63 ARG CA C 13 59.397 0.2 A 63 ARG CB C 13 29.933 0.2 A 63 ARG CD C 13 41.946 0.2 A 63 ARG N N 15 118.730 0.2 A 63 ARG NE N 15 83.88 0.2 A 64 THR H H 1 7.072 0.02 A 64 THR HA H 1 4.178 0.02 A 64 THR HB H 1 4.391 0.02 A 64 THR HG1 H 1 5.972 0.02 A 64 THR HG2% H 1 1.174 0.02 A 64 THR C C 13 176.041 0.2 A 64 THR CA C 13 61.746 0.2 A 64 THR CB C 13 70.217 0.2 A 64 THR CG2 C 13 21.554 0.2 A 64 THR N N 15 105.669 0.2 A 65 ARG H H 1 8.808 0.02 A 65 ARG HA H 1 3.768 0.02 A 65 ARG HBy H 1 2.195 0.02 A 65 ARG HBx H 1 2.111 0.02 A 65 ARG HDy H 1 3.178 0.02 A 65 ARG HDx H 1 3.154 0.02 A 65 ARG HGy H 1 1.684 0.02 A 65 ARG HGx H 1 1.533 0.02 A 65 ARG C C 13 174.913 0.2 A 65 ARG CA C 13 57.254 0.2 A 65 ARG CB C 13 26.146 0.2 A 65 ARG CD C 13 42.855 0.2 A 65 ARG CG C 13 26.939 0.2 A 65 ARG N N 15 116.675 0.2 A 66 GLN H H 1 7.537 0.02 A 66 GLN HA H 1 4.456 0.02 A 66 GLN HBy H 1 2.143 0.02 A 66 GLN HBx H 1 1.847 0.02 A 66 GLN HE21 H 1 7.428 0.02 A 66 GLN HE22 H 1 6.979 0.02 A 66 GLN HGy H 1 2.422 0.02 A 66 GLN HGx H 1 2.412 0.02 A 66 GLN C C 13 173.880 0.2 A 66 GLN CA C 13 54.704 0.2 A 66 GLN CB C 13 30.462 0.2 A 66 GLN CD C 13 180.47 0.2 A 66 GLN CG C 13 33.846 0.2 A 66 GLN N N 15 117.007 0.2 A 66 GLN NE2 N 15 113.605 0.2 A 67 ARG H H 1 8.405 0.02 A 67 ARG HA H 1 5.663 0.02 A 67 ARG HBy H 1 1.883 0.02 A 67 ARG HBx H 1 1.651 0.02 A 67 ARG HDx H 1 3.197 0.02 A 67 ARG HDy H 1 3.197 0.02 A 67 ARG HGy H 1 1.649 0.02 A 67 ARG HGx H 1 1.581 0.02 A 67 ARG C C 13 176.734 0.2 A 67 ARG CA C 13 54.214 0.2 A 67 ARG CB C 13 33.516 0.2 A 67 ARG CD C 13 43.450 0.2 A 67 ARG CG C 13 28.749 0.2 A 67 ARG N N 15 118.870 0.2 A 68 GLY H H 1 8.616 0.02 A 68 GLY HAy H 1 4.159 0.02 A 68 GLY HAx H 1 3.992 0.02 A 68 GLY C C 13 170.653 0.2 A 68 GLY CA C 13 45.627 0.2 A 68 GLY N N 15 110.211 0.2 A 69 ASP H H 1 8.833 0.02 A 69 ASP HA H 1 5.746 0.02 A 69 ASP HBy H 1 2.525 0.02 A 69 ASP HBx H 1 2.446 0.02 A 69 ASP C C 13 175.871 0.2 A 69 ASP CA C 13 53.603 0.2 A 69 ASP CB C 13 42.898 0.2 A 69 ASP N N 15 121.088 0.2 A 70 PHE H H 1 8.997 0.02 A 70 PHE HA H 1 5.109 0.02 A 70 PHE HBy H 1 2.908 0.02 A 70 PHE HBx H 1 2.606 0.02 A 70 PHE HD1 H 1 6.813 0.02 A 70 PHE HD2 H 1 6.813 0.02 A 70 PHE HE1 H 1 6.613 0.02 A 70 PHE HE2 H 1 6.613 0.02 A 70 PHE HZ H 1 6.590 0.02 A 70 PHE C C 13 170.938 0.2 A 70 PHE CA C 13 53.913 0.2 A 70 PHE CB C 13 40.216 0.2 A 70 PHE CD1 C 13 133.348 0.2 A 70 PHE CD2 C 13 133.348 0.2 A 70 PHE CE1 C 13 130.105 0.2 A 70 PHE CE2 C 13 130.105 0.2 A 70 PHE CZ C 13 128.764 0.2 A 70 PHE N N 15 117.258 0.2 A 71 PRO HA H 1 3.451 0.02 A 71 PRO HBy H 1 1.239 0.02 A 71 PRO HBx H 1 0.677 0.02 A 71 PRO HDy H 1 2.364 0.02 A 71 PRO HDx H 1 2.144 0.02 A 71 PRO HGy H 1 0.614 0.02 A 71 PRO HGx H 1 0.057 0.02 A 71 PRO C C 13 178.939 0.2 A 71 PRO CA C 13 60.910 0.2 A 71 PRO CB C 13 30.494 0.2 A 71 PRO CD C 13 49.459 0.2 A 71 PRO CG C 13 26.590 0.2 A 72 GLY H H 1 7.832 0.02 A 72 GLY HAy H 1 3.983 0.02 A 72 GLY HAx H 1 3.418 0.02 A 72 GLY C C 13 174.571 0.2 A 72 GLY CA C 13 46.867 0.2 A 72 GLY N N 15 113.943 0.2 A 73 THR H H 1 7.256 0.02 A 73 THR HA H 1 3.993 0.02 A 73 THR HB H 1 4.386 0.02 A 73 THR HG2% H 1 1.275 0.02 A 73 THR C C 13 175.960 0.2 A 73 THR CA C 13 62.890 0.2 A 73 THR CB C 13 69.268 0.2 A 73 THR CG2 C 13 23.351 0.2 A 73 THR N N 15 103.961 0.2 A 74 TYR H H 1 7.911 0.02 A 74 TYR HA H 1 4.786 0.02 A 74 TYR HBy H 1 3.409 0.02 A 74 TYR HBx H 1 3.094 0.02 A 74 TYR HDx H 1 7.151 0.02 A 74 TYR HDy H 1 7.152 0.02 A 74 TYR HEy H 1 7.014 0.02 A 74 TYR HEx H 1 7.012 0.02 A 74 TYR C C 13 175.274 0.2 A 74 TYR CA C 13 58.500 0.2 A 74 TYR CB C 13 38.295 0.2 A 74 TYR CDx C 13 132.199 0.2 A 74 TYR CDy C 13 132.310 0.2 A 74 TYR CEx C 13 118.597 0.2 A 74 TYR CEy C 13 118.608 0.2 A 74 TYR N N 15 120.557 0.2 A 75 VAL H H 1 7.313 0.02 A 75 VAL HA H 1 5.472 0.02 A 75 VAL HB H 1 2.145 0.02 A 75 VAL HG1% H 1 0.655 0.02 A 75 VAL HG2% H 1 0.863 0.02 A 75 VAL C C 13 173.245 0.2 A 75 VAL CA C 13 58.826 0.2 A 75 VAL CB C 13 36.272 0.2 A 75 VAL CG1 C 13 21.230 0.2 A 75 VAL CG2 C 13 19.498 0.2 A 75 VAL N N 15 108.845 0.2 A 76 GLU H H 1 8.822 0.02 A 76 GLU HA H 1 5.117 0.02 A 76 GLU HBy H 1 2.167 0.02 A 76 GLU HBx H 1 1.985 0.02 A 76 GLU HGy H 1 2.399 0.02 A 76 GLU HGx H 1 2.166 0.02 A 76 GLU C C 13 175.918 0.2 A 76 GLU CA C 13 53.224 0.2 A 76 GLU CB C 13 33.253 0.2 A 76 GLU CG C 13 35.337 0.2 A 76 GLU N N 15 115.410 0.2 A 77 PHE H H 1 9.463 0.02 A 77 PHE HA H 1 4.306 0.02 A 77 PHE HBy H 1 3.092 0.02 A 77 PHE HBx H 1 3.021 0.02 A 77 PHE HDx H 1 6.969 0.02 A 77 PHE HDy H 1 6.971 0.02 A 77 PHE HE1 H 1 7.047 0.02 A 77 PHE HE2 H 1 7.047 0.02 A 77 PHE HZ H 1 7.235 0.02 A 77 PHE C C 13 174.292 0.2 A 77 PHE CA C 13 59.410 0.2 A 77 PHE CB C 13 40.019 0.2 A 77 PHE CDy C 13 132.716 0.2 A 77 PHE CDx C 13 132.681 0.2 A 77 PHE CE1 C 13 131.06 0.2 A 77 PHE CE2 C 13 131.06 0.2 A 77 PHE CZ C 13 129.22 0.2 A 77 PHE N N 15 124.873 0.2 A 78 LEU H H 1 8.241 0.02 A 78 LEU HA H 1 4.415 0.02 A 78 LEU HBx H 1 1.199 0.02 A 78 LEU HBy H 1 1.199 0.02 A 78 LEU HD1% H 1 0.706 0.02 A 78 LEU HD2% H 1 0.679 0.02 A 78 LEU HG H 1 1.349 0.02 A 78 LEU C C 13 176.426 0.2 A 78 LEU CA C 13 55.079 0.2 A 78 LEU CB C 13 43.378 0.2 A 78 LEU CD1 C 13 25.307 0.2 A 78 LEU CD2 C 13 22.871 0.2 A 78 LEU CG C 13 26.426 0.2 A 78 LEU N N 15 127.607 0.2 A 79 GLY H H 1 6.230 0.02 A 79 GLY HAy H 1 4.181 0.02 A 79 GLY HAx H 1 3.508 0.02 A 79 GLY C C 13 169.690 0.2 A 79 GLY CA C 13 45.955 0.2 A 79 GLY N N 15 103.912 0.2 A 80 PRO HA H 1 4.897 0.02 A 80 PRO HBy H 1 2.400 0.02 A 80 PRO HBx H 1 1.966 0.02 A 80 PRO HDy H 1 3.783 0.02 A 80 PRO HDx H 1 3.705 0.02 A 80 PRO HGy H 1 2.235 0.02 A 80 PRO HGx H 1 2.123 0.02 A 80 PRO C C 13 176.160 0.2 A 80 PRO CA C 13 62.565 0.2 A 80 PRO CB C 13 32.754 0.2 A 80 PRO CD C 13 49.655 0.2 A 80 PRO CG C 13 26.910 0.2 A 81 LEU H H 1 7.908 0.02 A 81 LEU HA H 1 4.206 0.02 A 81 LEU HBy H 1 1.358 0.02 A 81 LEU HBx H 1 1.074 0.02 A 81 LEU HD1% H 1 0.704 0.02 A 81 LEU HD2% H 1 0.698 0.02 A 81 LEU HG H 1 1.199 0.02 A 81 LEU C C 13 176.201 0.2 A 81 LEU CA C 13 54.838 0.2 A 81 LEU CB C 13 43.108 0.2 A 81 LEU CD1 C 13 24.747 0.2 A 81 LEU CD2 C 13 24.652 0.2 A 81 LEU CG C 13 26.958 0.2 A 81 LEU N N 15 121.598 0.2 A 82 GLU H H 1 8.574 0.02 A 82 GLU HA H 1 4.224 0.02 A 82 GLU HBy H 1 1.866 0.02 A 82 GLU HBx H 1 1.764 0.02 A 82 GLU HGy H 1 2.149 0.02 A 82 GLU HGx H 1 2.059 0.02 A 82 GLU C C 13 175.94 0.2 A 82 GLU CA C 13 56.578 0.2 A 82 GLU CB C 13 30.83 0.2 A 82 GLU CG C 13 36.22 0.2 A 82 GLU N N 15 124.195 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 59 GLY H A 68 GLY H 1.0 1.8 4.18 2 2 A 59 GLY H A 60 LEU H 1.0 1.8 5.33 3 3 A 59 GLY H A 69 ASP HA 1.0 1.8 4.48 4 4 A 59 GLY H A 58 PRO HA 1.0 1.8 3.53 5 5 A 59 GLY H A 58 PRO HBx 1.0 1.8 4.93 6 6 A 68 GLY H A 67 ARG HA 1.0 1.8 3.47 7 7 A 68 GLY H A 23 LEU HD1% 1.0 1.8 4.50 8 8 A 68 GLY H A 60 LEU HA 1.0 1.8 4.94 9 9 A 61 ASN HD2x A 29 ASP HBx 1.0 1.8 4.97 10 9 A 29 ASP HBy A 61 ASN HD2x 1.0 1.8 4.97 11 10 A 61 ASN HD2y A 29 ASP HBx 1.0 1.8 4.97 12 10 A 29 ASP HBy A 61 ASN HD2y 1.0 1.8 4.97 13 11 A 8 GLN HE22 A 30 VAL HG1% 1.0 1.8 4.86 14 12 A 8 GLN HE22 A 81 LEU HD2% 1.0 1.8 5.04 15 13 A 39 GLN H A 39 GLN HGy 1.0 1.8 4.58 16 14 A 39 GLN H A 39 GLN HGx 1.0 1.8 4.58 17 15 A 39 GLN H A 39 GLN HBy 1.0 1.8 3.72 18 16 A 39 GLN H A 38 LEU HBy 1.0 1.8 3.79 19 17 A 39 GLN H A 38 LEU HBx 1.0 1.8 4.70 20 18 A 61 ASN HD2x A 25 LEU HA 1.0 1.8 4.97 21 19 A 61 ASN HD2y A 25 LEU HA 1.0 1.8 4.97 22 20 A 61 ASN HD2y A 25 LEU HD2% 1.0 1.8 4.87 23 21 A 8 GLN H A 79 GLY H 1.0 1.8 4.52 24 22 A 79 GLY H A 78 LEU H 1.0 1.8 3.70 25 23 A 79 GLY H A 77 PHE HD% 1.0 1.8 4.93 26 24 A 79 GLY H A 9 TYR HA 1.0 1.8 5.75 27 25 A 79 GLY H A 77 PHE HA 1.0 1.8 4.96 28 26 A 79 GLY H A 8 GLN HBx 1.0 1.8 4.63 29 26 A 79 GLY H A 8 GLN HBy 1.0 1.8 4.63 30 27 A 79 GLY H A 78 LEU HG 1.0 1.8 4.95 31 28 A 79 GLY H A 78 LEU HBx 1.0 1.8 3.78 32 28 A 79 GLY H A 78 LEU HBy 1.0 1.8 3.78 33 29 A 79 GLY H A 78 LEU HD1% 1.0 1.8 5.49 34 30 A 79 GLY H A 78 LEU HD2% 1.0 1.8 5.93 35 31 A 73 THR H A 73 THR HG2% 1.0 1.8 5.06 36 32 A 64 THR H A 65 ARG H 1.0 1.8 3.58 37 33 A 64 THR H A 64 THR HG1 1.0 1.8 4.85 38 34 A 64 THR H A 65 ARG HA 1.0 1.8 5.05 39 35 A 64 THR H A 63 ARG HBy 1.0 1.8 4.69 40 36 A 64 THR H A 63 ARG HBx 1.0 1.8 4.69 41 37 A 64 THR H A 64 THR HG2% 1.0 1.8 3.70 42 38 A 42 GLY H A 43 VAL H 1.0 1.8 3.70 43 39 A 42 GLY H A 41 LEU H 1.0 1.8 3.74 44 40 A 42 GLY H A 41 LEU HBy 1.0 1.8 4.87 45 41 A 42 GLY H A 41 LEU HBx 1.0 1.8 4.87 46 42 A 42 GLY H A 43 VAL HG2% 1.0 1.8 4.61 47 43 A 55 GLY H A 56 TRP H 1.0 1.8 5.01 48 44 A 55 GLY H A 54 VAL HB 1.0 1.8 4.21 49 45 A 55 GLY H A 54 VAL HG1% 1.0 1.8 4.57 50 46 A 55 GLY H A 54 VAL HG2% 1.0 1.8 4.99 51 47 A 59 GLY H A 70 PHE HE% 1.0 1.8 4.72 52 48 A 59 GLY H A 58 PRO HBy 1.0 1.8 4.93 53 49 A 59 GLY H A 23 LEU HD2% 1.0 1.8 5.04 54 50 A 75 VAL H A 75 VAL HG2% 1.0 1.8 3.62 55 51 A 75 VAL H A 75 VAL HG1% 1.0 1.8 4.06 56 52 A 46 GLY H A 47 GLY H 1.0 1.8 4.06 57 53 A 47 GLY H A 45 GLU HA 1.0 1.8 4.64 58 54 A 47 GLY H A 44 ALA HB% 1.0 1.8 5.08 59 55 A 47 GLY H A 43 VAL HG1% 1.0 1.8 4.35 60 56 A 27 PRO HA A 28 GLY H 1.0 1.8 3.39 61 57 A 28 GLY H A 11 ALA HB% 1.0 1.8 3.98 62 58 A 73 THR H A 72 GLY H 1.0 1.8 4.77 63 59 A 72 GLY H A 56 TRP HA 1.0 1.8 4.73 64 60 A 72 GLY H A 71 PRO HA 1.0 1.8 3.73 65 61 A 19 ARG HA A 21 GLU H 1.0 1.8 5.15 66 62 A 21 GLU H A 20 PRO HDx 1.0 1.8 4.43 67 62 A 21 GLU H A 20 PRO HDy 1.0 1.8 4.43 68 63 A 21 GLU H A 20 PRO HBy 1.0 1.8 4.96 69 64 A 21 GLU H A 17 ARG HBx 1.0 1.8 5.62 70 65 A 52 GLN H A 53 SER H 1.0 1.8 4.31 71 66 A 53 SER H A 54 VAL H 1.0 1.8 3.74 72 67 A 54 VAL HG2% A 53 SER H 1.0 1.8 4.74 73 68 A 12 LEU H A 13 TYR H 1.0 1.8 3.63 74 69 A 13 TYR H A 11 ALA HA 1.0 1.8 4.55 75 70 A 11 ALA HB% A 13 TYR H 1.0 1.8 4.36 76 71 A 13 TYR H A 12 LEU HBy 1.0 1.8 4.95 77 72 A 13 TYR H A 12 LEU HD1% 1.0 1.8 5.56 78 73 A 13 TYR H A 12 LEU HD2% 1.0 1.8 5.96 79 74 A 75 VAL HA A 76 GLU H 1.0 1.8 3.62 80 75 A 11 ALA HA A 76 GLU H 1.0 1.8 5.16 81 76 A 76 GLU H A 9 TYR HBx 1.0 1.8 4.95 82 77 A 76 GLU H A 76 GLU HGy 1.0 1.8 4.09 83 78 A 76 GLU H A 75 VAL HB 1.0 1.8 3.76 84 79 A 76 GLU H A 76 GLU HGx 1.0 1.8 4.26 85 80 A 76 GLU H A 10 ARG HGx 1.0 1.8 5.89 86 80 A 76 GLU H A 10 ARG HGy 1.0 1.8 5.89 87 81 A 75 VAL HG2% A 76 GLU H 1.0 1.8 4.55 88 82 A 75 VAL HG1% A 76 GLU H 1.0 1.8 4.41 89 83 A 49 ARG H A 50 CYS H 1.0 1.8 3.81 90 84 A 49 ARG H A 49 ARG HDx 1.0 1.8 4.93 91 84 A 49 ARG H A 49 ARG HDy 1.0 1.8 4.93 92 85 A 49 ARG H A 49 ARG HBy 1.0 1.8 4.41 93 86 A 49 ARG H A 49 ARG HBx 1.0 1.8 4.41 94 87 A 49 ARG H A 49 ARG HGy 1.0 1.8 4.54 95 88 A 49 ARG H A 49 ARG HGx 1.0 1.8 4.54 96 89 A 65 ARG H A 66 GLN H 1.0 1.8 3.83 97 90 A 65 ARG H A 62 GLU HA 1.0 1.8 4.89 98 91 A 65 ARG H A 66 GLN HBy 1.0 1.8 5.15 99 92 A 65 ARG H A 65 ARG HGy 1.0 1.8 4.79 100 93 A 65 ARG H A 65 ARG HGx 1.0 1.8 4.79 101 94 A 65 ARG H A 64 THR HG2% 1.0 1.8 4.79 102 95 A 65 ARG H A 60 LEU HD1% 1.0 1.8 5.37 103 96 A 52 GLN H A 50 CYS HA 1.0 1.8 5.10 104 97 A 64 THR H A 66 GLN H 1.0 1.8 5.02 105 98 A 64 THR HG1 A 66 GLN H 1.0 1.8 4.54 106 99 A 66 GLN H A 66 GLN HGy 1.0 1.8 5.81 107 100 A 66 GLN H A 66 GLN HGx 1.0 1.8 5.81 108 101 A 66 GLN H A 66 GLN HBy 1.0 1.8 3.86 109 102 A 23 LEU HD1% A 66 GLN H 1.0 1.8 4.99 110 103 A 23 LEU HD2% A 66 GLN H 1.0 1.8 5.53 111 104 A 50 CYS H A 50 CYS HBy 1.0 1.8 4.40 112 105 A 50 CYS H A 50 CYS HBx 1.0 1.8 4.40 113 106 A 57 MET H A 70 PHE H 1.0 1.8 4.44 114 107 A 70 PHE H A 70 PHE HD% 1.0 1.8 4.80 115 108 A 69 ASP HA A 70 PHE H 1.0 1.8 3.82 116 109 A 58 PRO HA A 70 PHE H 1.0 1.8 5.08 117 110 A 41 LEU H A 38 LEU HA 1.0 1.8 4.41 118 111 A 41 LEU H A 41 LEU HBy 1.0 1.8 4.11 119 112 A 41 LEU H A 41 LEU HBx 1.0 1.8 4.11 120 113 A 41 LEU H A 40 ALA HB% 1.0 1.8 4.00 121 114 A 41 LEU H A 41 LEU HD1% 1.0 1.8 4.33 122 115 A 41 LEU H A 41 LEU HD2% 1.0 1.8 4.74 123 116 A 7 PHE H A 7 PHE HD% 1.0 1.8 4.69 124 117 A 7 PHE H A 7 PHE HBy 1.0 1.8 4.50 125 118 A 7 PHE H A 33 VAL HB 1.0 1.8 5.18 126 119 A 7 PHE H A 33 VAL HG1% 1.0 1.8 5.36 127 120 A 7 PHE H A 81 LEU HD1% 1.0 1.8 5.96 128 121 A 8 GLN H A 7 PHE H 1.0 1.8 5.58 129 122 A 8 GLN H A 9 TYR H 1.0 1.8 5.95 130 123 A 8 GLN H A 7 PHE HD% 1.0 1.8 5.69 131 124 A 8 GLN H A 7 PHE HA 1.0 1.8 3.65 132 125 A 8 GLN H A 80 PRO HA 1.0 1.8 4.83 133 126 A 8 GLN H A 7 PHE HBx 1.0 1.8 4.40 134 127 A 8 GLN H A 7 PHE HBy 1.0 1.8 4.85 135 128 A 8 GLN H A 8 GLN HGx 1.0 1.8 4.30 136 129 A 8 GLN H A 8 GLN HBx 1.0 1.8 4.07 137 129 A 8 GLN H A 8 GLN HBy 1.0 1.8 4.07 138 130 A 8 GLN H A 78 LEU HBx 1.0 1.8 6.05 139 130 A 8 GLN H A 78 LEU HBy 1.0 1.8 6.05 140 131 A 8 GLN H A 81 LEU HG 1.0 1.8 6.05 141 132 A 81 LEU HD2% A 8 GLN H 1.0 1.8 5.08 142 133 A 39 GLN H A 38 LEU H 1.0 1.8 3.81 143 134 A 38 LEU H A 37 ALA H 1.0 1.8 3.82 144 135 A 38 LEU H A 35 ARG HA 1.0 1.8 4.38 145 136 A 38 LEU HBy A 38 LEU H 1.0 1.8 3.74 146 137 A 38 LEU H A 38 LEU HG 1.0 1.8 3.70 147 138 A 38 LEU H A 37 ALA HB% 1.0 1.8 3.82 148 139 A 38 LEU HBx A 38 LEU H 1.0 1.8 4.00 149 140 A 38 LEU H A 38 LEU HD1% 1.0 1.8 4.65 150 141 A 41 LEU HD1% A 38 LEU H 1.0 1.8 5.09 151 142 A 62 GLU H A 63 ARG H 1.0 1.8 4.17 152 143 A 64 THR H A 63 ARG H 1.0 1.8 3.81 153 144 A 63 ARG H A 62 GLU HBx 1.0 1.8 3.81 154 144 A 63 ARG H A 62 GLU HBy 1.0 1.8 3.81 155 145 A 63 ARG H A 63 ARG HBy 1.0 1.8 4.16 156 146 A 63 ARG H A 63 ARG HBx 1.0 1.8 4.16 157 147 A 64 THR HG2% A 63 ARG H 1.0 1.8 5.07 158 148 A 66 GLN HA A 67 ARG H 1.0 1.8 3.41 159 149 A 67 ARG H A 66 GLN HGy 1.0 1.8 5.80 160 150 A 67 ARG H A 66 GLN HGx 1.0 1.8 5.80 161 151 A 67 ARG H A 66 GLN HBx 1.0 1.8 4.03 162 152 A 66 GLN HBy A 67 ARG H 1.0 1.8 4.55 163 153 A 23 LEU HD1% A 67 ARG H 1.0 1.8 5.13 164 154 A 46 GLY H A 45 GLU HGy 1.0 1.8 6.05 165 155 A 46 GLY H A 45 GLU HGx 1.0 1.8 6.05 166 156 A 46 GLY H A 45 GLU HBy 1.0 1.8 4.94 167 156 A 46 GLY H A 45 GLU HBx 1.0 1.8 4.94 168 157 A 5 GLU H A 6 GLY H 1.0 1.8 4.97 169 158 A 21 GLU H A 22 ASP H 1.0 1.8 4.09 170 159 A 22 ASP H A 20 PRO HA 1.0 1.8 5.21 171 160 A 22 ASP H A 22 ASP HBx 1.0 1.8 3.70 172 160 A 22 ASP H A 22 ASP HBy 1.0 1.8 3.70 173 161 A 22 ASP H A 21 GLU HBy 1.0 1.8 4.99 174 162 A 22 ASP H A 21 GLU HBx 1.0 1.8 4.99 175 163 A 17 ARG HBx A 22 ASP H 1.0 1.8 4.68 176 164 A 76 GLU H A 10 ARG H 1.0 1.8 4.04 177 165 A 78 LEU H A 10 ARG H 1.0 1.8 5.48 178 166 A 9 TYR H A 8 GLN HA 1.0 1.8 3.40 179 167 A 9 TYR HBx A 10 ARG H 1.0 1.8 4.20 180 168 A 9 TYR H A 9 TYR HBy 1.0 1.8 4.16 181 169 A 76 GLU HGy A 10 ARG H 1.0 1.8 4.83 182 170 A 75 VAL HB A 10 ARG H 1.0 1.8 4.23 183 171 A 9 TYR H A 8 GLN HGy 1.0 1.8 4.62 184 172 A 9 TYR H A 8 GLN HBx 1.0 1.8 4.31 185 172 A 8 GLN HBy A 9 TYR H 1.0 1.8 4.31 186 173 A 10 ARG H A 10 ARG HBy 1.0 1.8 4.28 187 174 A 78 LEU HG A 10 ARG H 1.0 1.8 4.87 188 175 A 30 VAL HG1% A 9 TYR H 1.0 1.8 4.22 189 176 A 75 VAL HG1% A 10 ARG H 1.0 1.8 5.09 190 177 A 78 LEU HD2% A 10 ARG H 1.0 1.8 5.82 191 178 A 56 TRP HA A 57 MET H 1.0 1.8 3.65 192 179 A 71 PRO HA A 57 MET H 1.0 1.8 5.09 193 180 A 57 MET H A 57 MET HBx 1.0 1.8 4.60 194 181 A 57 MET H A 57 MET HBy 1.0 1.8 4.18 195 182 A 31 LEU HA A 32 VAL H 1.0 1.8 3.56 196 183 A 32 VAL H A 32 VAL HB 1.0 1.8 3.93 197 184 A 32 VAL H A 33 VAL HG2% 1.0 1.8 5.69 198 185 A 32 VAL H A 31 LEU HG 1.0 1.8 4.85 199 186 A 32 VAL H A 32 VAL HG1% 1.0 1.8 5.31 200 187 A 60 LEU H A 32 VAL H 1.0 1.8 4.07 201 188 A 60 LEU H A 59 GLY HAy 1.0 1.8 3.88 202 189 A 60 LEU H A 59 GLY HAx 1.0 1.8 3.88 203 190 A 60 LEU H A 32 VAL HB 1.0 1.8 4.49 204 191 A 60 LEU H A 60 LEU HBy 1.0 1.8 4.18 205 192 A 60 LEU H A 60 LEU HBx 1.0 1.8 4.18 206 193 A 60 LEU H A 33 VAL HG2% 1.0 1.8 4.75 207 194 A 60 LEU H A 23 LEU HD2% 1.0 1.8 5.56 208 195 A 60 LEU H A 60 LEU HD2% 1.0 1.8 5.94 209 196 A 75 VAL H A 74 TYR H 1.0 1.8 3.71 210 197 A 74 TYR H A 74 TYR HD% 1.0 1.8 4.29 211 198 A 74 TYR H A 74 TYR HBy 1.0 1.8 4.26 212 199 A 74 TYR H A 74 TYR HBx 1.0 1.8 4.26 213 200 A 73 THR HG2% A 74 TYR H 1.0 1.8 5.43 214 201 A 75 VAL HG2% A 74 TYR H 1.0 1.8 4.81 215 202 A 75 VAL HG1% A 74 TYR H 1.0 1.8 4.49 216 203 A 46 GLY H A 48 GLU H 1.0 1.8 4.94 217 204 A 47 GLY H A 48 GLU H 1.0 1.8 4.08 218 205 A 50 CYS H A 48 GLU H 1.0 1.8 5.17 219 206 A 49 ARG H A 48 GLU H 1.0 1.8 4.21 220 207 A 48 GLU H A 48 GLU HBy 1.0 1.8 4.60 221 208 A 48 GLU H A 48 GLU HBx 1.0 1.8 4.60 222 209 A 43 VAL HG1% A 48 GLU H 1.0 1.8 4.29 223 210 A 17 ARG HA A 19 ARG H 1.0 1.8 4.93 224 211 A 19 ARG H A 22 ASP HBx 1.0 1.8 5.29 225 211 A 22 ASP HBy A 19 ARG H 1.0 1.8 5.29 226 212 A 19 ARG H A 18 GLU HBy 1.0 1.8 4.95 227 213 A 19 ARG H A 18 GLU HGx 1.0 1.8 5.51 228 213 A 19 ARG H A 18 GLU HGy 1.0 1.8 5.51 229 214 A 19 ARG H A 18 GLU HBx 1.0 1.8 4.95 230 215 A 17 ARG HBx A 19 ARG H 1.0 1.8 4.49 231 216 A 36 ALA H A 35 ARG HBy 1.0 1.8 5.28 232 217 A 36 ALA H A 36 ALA HB% 1.0 1.8 4.04 233 218 A 22 ASP HA A 69 ASP H 1.0 1.8 4.47 234 219 A 24 GLU H A 24 GLU HBy 1.0 1.8 4.07 235 220 A 24 GLU H A 23 LEU HG 1.0 1.8 5.13 236 221 A 7 PHE HA A 81 LEU H 1.0 1.8 4.22 237 222 A 80 PRO HA A 81 LEU H 1.0 1.8 3.64 238 223 A 81 LEU H A 80 PRO HBy 1.0 1.8 4.76 239 224 A 81 LEU H A 80 PRO HBx 1.0 1.8 4.76 240 225 A 81 LEU H A 81 LEU HBy 1.0 1.8 4.17 241 226 A 81 LEU HG A 81 LEU H 1.0 1.8 4.58 242 227 A 81 LEU H A 81 LEU HBx 1.0 1.8 4.17 243 228 A 81 LEU HD1% A 81 LEU H 1.0 1.8 4.97 244 229 A 81 LEU HD2% A 81 LEU H 1.0 1.8 5.54 245 230 A 43 VAL H A 43 VAL HB 1.0 1.8 3.58 246 231 A 38 LEU HBx A 43 VAL H 1.0 1.8 5.16 247 232 A 43 VAL H A 43 VAL HG2% 1.0 1.8 3.49 248 233 A 37 ALA H A 36 ALA H 1.0 1.8 4.53 249 234 A 37 ALA H A 34 SER HBy 1.0 1.8 5.05 250 235 A 37 ALA H A 37 ALA HB% 1.0 1.8 3.33 251 236 A 37 ALA H A 36 ALA HB% 1.0 1.8 3.86 252 237 A 44 ALA HA A 45 GLU H 1.0 1.8 3.65 253 238 A 45 GLU H A 45 GLU HGy 1.0 1.8 5.92 254 239 A 45 GLU H A 45 GLU HGx 1.0 1.8 5.92 255 240 A 45 GLU H A 45 GLU HBy 1.0 1.8 3.55 256 240 A 45 GLU HBx A 45 GLU H 1.0 1.8 3.55 257 241 A 44 ALA HB% A 45 GLU H 1.0 1.8 3.88 258 242 A 17 ARG H A 24 GLU HA 1.0 1.8 5.01 259 243 A 17 ARG H A 16 ARG HA 1.0 1.8 3.31 260 244 A 17 ARG H A 24 GLU HGy 1.0 1.8 5.16 261 245 A 17 ARG H A 24 GLU HGx 1.0 1.8 5.16 262 246 A 17 ARG H A 17 ARG HBy 1.0 1.8 3.81 263 247 A 17 ARG H A 16 ARG HBy 1.0 1.8 4.37 264 248 A 28 GLY H A 29 ASP H 1.0 1.8 3.93 265 249 A 29 ASP H A 26 LEU H 1.0 1.8 5.47 266 250 A 27 PRO HA A 29 ASP H 1.0 1.8 4.65 267 251 A 29 ASP H A 29 ASP HBx 1.0 1.8 3.59 268 251 A 29 ASP HBy A 29 ASP H 1.0 1.8 3.59 269 252 A 11 ALA HB% A 29 ASP H 1.0 1.8 3.66 270 253 A 54 VAL H A 51 PRO HA 1.0 1.8 4.64 271 254 A 54 VAL HB A 54 VAL H 1.0 1.8 3.82 272 255 A 54 VAL HG2% A 54 VAL H 1.0 1.8 3.63 273 256 A 39 GLN H A 40 ALA H 1.0 1.8 3.82 274 257 A 41 LEU H A 40 ALA H 1.0 1.8 3.74 275 258 A 39 GLN HBy A 40 ALA H 1.0 1.8 4.06 276 259 A 40 ALA H A 39 GLN HBx 1.0 1.8 4.28 277 260 A 40 ALA HB% A 40 ALA H 1.0 1.8 3.20 278 261 A 33 VAL HA A 34 SER H 1.0 1.8 3.32 279 262 A 34 SER H A 34 SER HBy 1.0 1.8 4.40 280 263 A 34 SER H A 34 SER HBx 1.0 1.8 4.40 281 264 A 37 ALA HB% A 34 SER H 1.0 1.8 4.36 282 265 A 33 VAL HG1% A 34 SER H 1.0 1.8 3.84 283 266 A 29 ASP H A 30 VAL H 1.0 1.8 5.18 284 267 A 30 VAL H A 29 ASP HA 1.0 1.8 3.31 285 268 A 30 VAL H A 29 ASP HBx 1.0 1.8 4.16 286 268 A 29 ASP HBy A 30 VAL H 1.0 1.8 4.16 287 269 A 30 VAL H A 62 GLU HBx 1.0 1.8 4.60 288 269 A 62 GLU HBy A 30 VAL H 1.0 1.8 4.60 289 270 A 30 VAL H A 30 VAL HB 1.0 1.8 3.59 290 271 A 30 VAL H A 30 VAL HG2% 1.0 1.8 3.70 291 272 A 12 LEU H A 11 ALA HA 1.0 1.8 3.64 292 273 A 12 LEU H A 12 LEU HG 1.0 1.8 4.28 293 274 A 12 LEU H A 12 LEU HD2% 1.0 1.8 4.37 294 275 A 23 LEU H A 22 ASP HBx 1.0 1.8 4.52 295 275 A 22 ASP HBy A 23 LEU H 1.0 1.8 4.52 296 276 A 23 LEU H A 23 LEU HBy 1.0 1.8 4.54 297 277 A 23 LEU H A 23 LEU HBx 1.0 1.8 4.54 298 278 A 23 LEU HD1% A 23 LEU H 1.0 1.8 5.51 299 279 A 23 LEU HD2% A 23 LEU H 1.0 1.8 5.91 300 280 A 25 LEU HA A 26 LEU H 1.0 1.8 3.55 301 281 A 26 LEU H A 29 ASP HBx 1.0 1.8 4.38 302 281 A 29 ASP HBy A 26 LEU H 1.0 1.8 4.38 303 282 A 26 LEU H A 25 LEU HBy 1.0 1.8 4.76 304 283 A 26 LEU H A 26 LEU HBy 1.0 1.8 4.15 305 284 A 26 LEU H A 25 LEU HBx 1.0 1.8 4.76 306 285 A 26 LEU H A 26 LEU HD2% 1.0 1.8 4.96 307 286 A 26 LEU H A 26 LEU HD1% 1.0 1.8 4.93 308 287 A 25 LEU HD2% A 26 LEU H 1.0 1.8 4.80 309 288 A 66 GLN H A 61 ASN H 1.0 1.8 4.99 310 289 A 67 ARG HA A 61 ASN H 1.0 1.8 4.70 311 290 A 60 LEU HA A 61 ASN H 1.0 1.8 3.42 312 291 A 61 ASN H A 61 ASN HBy 1.0 1.8 4.21 313 292 A 61 ASN H A 61 ASN HBx 1.0 1.8 4.21 314 293 A 61 ASN H A 60 LEU HBy 1.0 1.8 5.10 315 294 A 61 ASN H A 60 LEU HBx 1.0 1.8 5.10 316 295 A 61 ASN H A 60 LEU HG 1.0 1.8 4.44 317 296 A 23 LEU HD2% A 61 ASN H 1.0 1.8 3.85 318 297 A 56 TRP H A 54 VAL HG1% 1.0 1.8 4.85 319 298 A 76 GLU HA A 77 PHE H 1.0 1.8 3.40 320 299 A 77 PHE H A 77 PHE HBy 1.0 1.8 4.26 321 300 A 77 PHE H A 76 GLU HBy 1.0 1.8 4.75 322 301 A 77 PHE H A 76 GLU HBx 1.0 1.8 4.75 323 302 A 34 SER HA A 35 ARG H 1.0 1.8 3.58 324 303 A 35 ARG H A 6 GLY HAy 1.0 1.8 4.48 325 304 A 35 ARG H A 6 GLY HAx 1.0 1.8 4.48 326 305 A 35 ARG H A 35 ARG HBy 1.0 1.8 4.08 327 306 A 35 ARG H A 35 ARG HBx 1.0 1.8 4.08 328 307 A 62 GLU H A 31 LEU HA 1.0 1.8 4.59 329 308 A 62 GLU H A 61 ASN HA 1.0 1.8 3.44 330 309 A 62 GLU H A 62 GLU HGx 1.0 1.8 4.16 331 310 A 62 GLU H A 62 GLU HBx 1.0 1.8 3.48 332 310 A 62 GLU H A 62 GLU HBy 1.0 1.8 3.48 333 311 A 10 ARG HA A 31 LEU H 1.0 1.8 4.85 334 312 A 31 LEU H A 30 VAL HA 1.0 1.8 3.53 335 313 A 30 VAL HB A 31 LEU H 1.0 1.8 5.09 336 314 A 30 VAL HG1% A 31 LEU H 1.0 1.8 3.74 337 315 A 78 LEU H A 9 TYR H 1.0 1.8 6.05 338 316 A 78 LEU H A 9 TYR HA 1.0 1.8 4.02 339 317 A 78 LEU H A 77 PHE HA 1.0 1.8 3.67 340 318 A 78 LEU H A 78 LEU HG 1.0 1.8 4.62 341 319 A 78 LEU H A 78 LEU HBx 1.0 1.8 3.95 342 319 A 78 LEU H A 78 LEU HBy 1.0 1.8 3.95 343 320 A 78 LEU H A 78 LEU HD1% 1.0 1.8 5.52 344 321 A 78 LEU H A 78 LEU HD2% 1.0 1.8 5.73 345 322 A 10 ARG HA A 11 ALA H 1.0 1.8 3.48 346 323 A 30 VAL HA A 11 ALA H 1.0 1.8 5.02 347 324 A 11 ALA HB% A 11 ALA H 1.0 1.8 3.52 348 325 A 8 GLN HA A 33 VAL H 1.0 1.8 5.14 349 326 A 33 VAL H A 32 VAL HA 1.0 1.8 3.42 350 327 A 33 VAL HB A 33 VAL H 1.0 1.8 4.02 351 328 A 8 GLN HGy A 33 VAL H 1.0 1.8 5.40 352 329 A 32 VAL HB A 33 VAL H 1.0 1.8 5.89 353 330 A 33 VAL HG2% A 33 VAL H 1.0 1.8 4.03 354 331 A 32 VAL HG1% A 33 VAL H 1.0 1.8 4.04 355 332 A 43 VAL HA A 44 ALA H 1.0 1.8 3.31 356 333 A 43 VAL HG1% A 44 ALA H 1.0 1.8 4.07 357 334 A 11 ALA HB% A 12 LEU H 1.0 1.8 4.40 358 335 A 13 TYR H A 12 LEU HBx 1.0 1.8 4.95 359 336 A 17 ARG H A 16 ARG HBx 1.0 1.8 4.37 360 337 A 11 ALA HB% A 26 LEU H 1.0 1.8 4.44 361 338 A 29 ASP H A 11 ALA H 1.0 1.8 5.19 362 339 A 37 ALA H A 34 SER HBx 1.0 1.8 5.05 363 340 A 39 GLN H A 36 ALA HA 1.0 1.8 4.29 364 341 A 55 GLY H A 54 VAL H 1.0 1.8 4.07 365 342 A 60 LEU HD1% A 61 ASN H 1.0 1.8 3.92 366 343 A 73 THR H A 74 TYR H 1.0 1.8 3.97 367 344 A 24 GLU H A 24 GLU HBx 1.0 1.8 4.07 368 345 A 31 LEU HA A 61 ASN HA 1.0 1.8 4.26 369 346 A 31 LEU HA A 31 LEU HG 1.0 1.8 4.58 370 347 A 12 LEU H A 75 VAL HA 1.0 1.8 4.13 371 348 A 11 ALA HA A 75 VAL HA 1.0 1.8 3.95 372 349 A 75 VAL HA A 12 LEU HG 1.0 1.8 4.30 373 350 A 75 VAL HG1% A 75 VAL HA 1.0 1.8 3.78 374 351 A 69 ASP HA A 58 PRO HA 1.0 1.8 3.87 375 352 A 10 ARG HA A 30 VAL HA 1.0 1.8 4.27 376 353 A 10 ARG HA A 10 ARG HGx 1.0 1.8 3.85 377 353 A 10 ARG HGy A 10 ARG HA 1.0 1.8 3.85 378 354 A 30 VAL HG2% A 10 ARG HA 1.0 1.8 4.75 379 355 A 8 GLN HA A 9 TYR HD% 1.0 1.8 5.07 380 356 A 8 GLN HA A 32 VAL HA 1.0 1.8 4.23 381 357 A 8 GLN HA A 32 VAL HG2% 1.0 1.8 5.06 382 358 A 30 VAL HG1% A 8 GLN HA 1.0 1.8 5.28 383 359 A 8 GLN HA A 32 VAL HG1% 1.0 1.8 5.68 384 360 A 67 ARG HA A 60 LEU HA 1.0 1.8 3.98 385 361 A 67 ARG HA A 23 LEU HD2% 1.0 1.8 5.42 386 362 A 54 VAL HB A 51 PRO HA 1.0 1.8 4.29 387 363 A 54 VAL HG2% A 51 PRO HA 1.0 1.8 3.90 388 364 A 62 GLU HA A 62 GLU HGy 1.0 1.8 3.98 389 365 A 62 GLU HA A 60 LEU HD2% 1.0 1.8 5.09 390 366 A 64 THR HG2% A 64 THR HA 1.0 1.8 3.63 391 367 A 66 GLN H A 64 THR HB 1.0 1.8 5.01 392 368 A 64 THR HB A 66 GLN HGy 1.0 1.8 5.20 393 369 A 64 THR HB A 66 GLN HGx 1.0 1.8 5.20 394 370 A 73 THR HG2% A 73 THR HA 1.0 1.8 4.05 395 371 A 27 PRO HA A 11 ALA HB% 1.0 1.8 3.98 396 372 A 80 PRO HA A 7 PHE HE% 1.0 1.8 5.05 397 373 A 7 PHE HD% A 80 PRO HA 1.0 1.8 4.06 398 374 A 7 PHE HA A 80 PRO HA 1.0 1.8 4.00 399 375 A 8 GLN HGy A 32 VAL HA 1.0 1.8 4.71 400 376 A 33 VAL HG2% A 32 VAL HA 1.0 1.8 4.98 401 377 A 73 THR HA A 52 GLN HA 1.0 1.8 3.99 402 378 A 73 THR HG2% A 52 GLN HA 1.0 1.8 4.55 403 379 A 43 VAL HG1% A 48 GLU HA 1.0 1.8 4.15 404 380 A 42 GLY H A 39 GLN HA 1.0 1.8 5.02 405 381 A 43 VAL H A 39 GLN HA 1.0 1.8 5.65 406 382 A 39 GLN HA A 39 GLN HGx 1.0 1.8 4.63 407 383 A 38 LEU HBx A 39 GLN HA 1.0 1.8 5.40 408 384 A 38 LEU HA A 38 LEU HG 1.0 1.8 4.41 409 385 A 38 LEU HA A 43 VAL HB 1.0 1.8 5.92 410 386 A 17 ARG HA A 22 ASP HBx 1.0 1.8 4.91 411 386 A 22 ASP HBy A 17 ARG HA 1.0 1.8 4.91 412 387 A 35 ARG HA A 7 PHE HE% 1.0 1.8 4.53 413 388 A 35 ARG HA A 35 ARG HDx 1.0 1.8 4.76 414 388 A 35 ARG HA A 35 ARG HDy 1.0 1.8 4.76 415 389 A 38 LEU HBy A 35 ARG HA 1.0 1.8 4.52 416 390 A 9 TYR HA A 77 PHE HA 1.0 1.8 4.30 417 391 A 49 ARG HA A 49 ARG HDx 1.0 1.8 4.72 418 391 A 49 ARG HDy A 49 ARG HA 1.0 1.8 4.72 419 392 A 56 TRP HA A 71 PRO HA 1.0 1.8 4.75 420 393 A 41 LEU HD2% A 41 LEU HA 1.0 1.8 3.43 421 394 A 78 LEU HD2% A 78 LEU HA 1.0 1.8 3.61 422 395 A 39 GLN HBy A 36 ALA HA 1.0 1.8 4.05 423 396 A 39 GLN HBx A 36 ALA HA 1.0 1.8 5.42 424 397 A 39 GLN HBx A 40 ALA HA 1.0 1.8 5.76 425 398 A 12 LEU HG A 12 LEU HA 1.0 1.8 4.36 426 399 A 12 LEU HD2% A 12 LEU HA 1.0 1.8 3.43 427 400 A 44 ALA HA A 45 GLU HBy 1.0 1.8 4.96 428 400 A 45 GLU HBx A 44 ALA HA 1.0 1.8 4.96 429 401 A 24 GLU H A 23 LEU HA 1.0 1.8 3.73 430 402 A 54 VAL HG1% A 57 MET HA 1.0 1.8 5.06 431 403 A 15 PHE HA A 15 PHE HD% 1.0 1.8 4.79 432 404 A 7 PHE HA A 8 GLN HGy 1.0 1.8 6.05 433 405 A 9 TYR HA A 78 LEU HG 1.0 1.8 4.60 434 406 A 9 TYR HA A 78 LEU HBx 1.0 1.8 5.01 435 406 A 9 TYR HA A 78 LEU HBy 1.0 1.8 5.01 436 407 A 50 CYS HA A 51 PRO HDy 1.0 1.8 4.36 437 408 A 50 CYS HA A 51 PRO HDx 1.0 1.8 4.36 438 409 A 22 ASP HA A 23 LEU H 1.0 1.8 3.70 439 410 A 70 PHE HD% A 70 PHE HA 1.0 1.8 4.70 440 411 A 70 PHE HA A 71 PRO HDy 1.0 1.8 4.46 441 412 A 70 PHE HA A 71 PRO HDx 1.0 1.8 4.46 442 413 A 25 LEU HD2% A 70 PHE HA 1.0 1.8 5.79 443 414 A 11 ALA HB% A 13 TYR HA 1.0 1.8 5.82 444 415 A 61 ASN HA A 62 GLU HBx 1.0 1.8 5.13 445 415 A 62 GLU HBy A 61 ASN HA 1.0 1.8 5.13 446 416 A 61 ASN HA A 62 GLU HGy 1.0 1.8 5.79 447 417 A 23 LEU HD2% A 61 ASN HA 1.0 1.8 4.82 448 418 A 61 ASN HA A 31 LEU HD2% 1.0 1.8 4.38 449 419 A 26 LEU HA A 27 PRO HDx 1.0 1.8 4.13 450 420 A 14 PRO HA A 27 PRO HDx 1.0 1.8 5.30 451 421 A 26 LEU HBx A 27 PRO HDx 1.0 1.8 4.70 452 422 A 26 LEU HD2% A 27 PRO HDx 1.0 1.8 4.84 453 423 A 57 MET HA A 58 PRO HDx 1.0 1.8 3.95 454 424 A 57 MET HBx A 58 PRO HDx 1.0 1.8 4.71 455 425 A 41 LEU HD1% A 58 PRO HDx 1.0 1.8 4.29 456 426 A 3 GLY HAy A 4 PRO HDx 1.0 1.8 3.37 457 426 A 3 GLY HAx A 4 PRO HDx 1.0 1.8 3.37 458 426 A 4 PRO HDy A 3 GLY HAx 1.0 1.8 3.37 459 426 A 3 GLY HAy A 4 PRO HDy 1.0 1.8 3.37 460 427 A 79 GLY HAx A 80 PRO HDx 1.0 1.8 4.16 461 428 A 79 GLY HAy A 80 PRO HDy 1.0 1.8 4.16 462 429 A 80 PRO HDy A 79 GLY HAx 1.0 1.8 4.16 463 430 A 13 TYR HA A 14 PRO HDx 1.0 1.8 3.98 464 431 A 19 ARG HA A 20 PRO HDx 1.0 1.8 3.99 465 431 A 19 ARG HA A 20 PRO HDy 1.0 1.8 3.99 466 432 A 17 ARG HBx A 20 PRO HDx 1.0 1.8 6.05 467 432 A 20 PRO HDy A 17 ARG HBx 1.0 1.8 6.05 468 433 A 14 PRO HDy A 13 TYR HBy 1.0 1.8 4.48 469 434 A 14 PRO HDy A 13 TYR HBx 1.0 1.8 4.48 470 435 A 26 LEU HA A 27 PRO HDy 1.0 1.8 4.13 471 436 A 14 PRO HA A 27 PRO HDy 1.0 1.8 5.30 472 437 A 26 LEU HBx A 27 PRO HDy 1.0 1.8 4.70 473 438 A 34 SER HA A 6 GLY HAy 1.0 1.8 4.42 474 439 A 9 TYR HBx A 75 VAL HB 1.0 1.8 4.27 475 440 A 75 VAL HG2% A 70 PHE HD% 1.0 1.8 5.19 476 441 A 75 VAL HG2% A 75 VAL HA 1.0 1.8 4.55 477 442 A 75 VAL HG2% A 76 GLU HA 1.0 1.8 5.19 478 443 A 75 VAL HG2% A 72 GLY HAy 1.0 1.8 4.59 479 444 A 75 VAL HG2% A 72 GLY HAx 1.0 1.8 4.59 480 445 A 75 VAL HG2% A 9 TYR HBx 1.0 1.8 4.16 481 446 A 75 VAL HG2% A 9 TYR HBy 1.0 1.8 4.59 482 447 A 75 VAL HG2% A 51 PRO HGy 1.0 1.8 4.40 483 448 A 75 VAL HG2% A 51 PRO HGx 1.0 1.8 4.40 484 449 A 75 VAL HG2% A 51 PRO HBx 1.0 1.8 4.46 485 450 A 75 VAL HG2% A 57 MET HE% 1.0 1.8 4.54 486 451 A 75 VAL HG1% A 11 ALA H 1.0 1.8 5.04 487 452 A 75 VAL HG1% A 12 LEU H 1.0 1.8 5.32 488 453 A 75 VAL HG1% A 70 PHE HD% 1.0 1.8 4.55 489 454 A 75 VAL HG1% A 11 ALA HA 1.0 1.8 3.74 490 455 A 75 VAL HG1% A 74 TYR HBy 1.0 1.8 4.83 491 456 A 75 VAL HG1% A 9 TYR HBy 1.0 1.8 4.88 492 457 A 75 VAL HG1% A 11 ALA HB% 1.0 1.8 4.16 493 458 A 75 VAL HG1% A 31 LEU HD1% 1.0 1.8 4.64 494 459 A 75 VAL HG1% A 31 LEU HD2% 1.0 1.8 4.05 495 460 A 64 THR HG1 A 64 THR HG2% 1.0 1.8 3.81 496 461 A 64 THR HG2% A 66 GLN HGy 1.0 1.8 6.05 497 462 A 64 THR HG2% A 66 GLN HGx 1.0 1.8 6.05 498 463 A 64 THR HG2% A 66 GLN HBy 1.0 1.8 5.59 499 464 A 23 LEU HD2% A 61 ASN HBx 1.0 1.8 4.43 500 465 A 75 VAL HG1% A 74 TYR HBx 1.0 1.8 4.83 501 466 A 75 VAL HB A 9 TYR HBy 1.0 1.8 4.68 502 467 A 44 ALA HB% A 44 ALA H 1.0 1.8 3.47 503 468 A 33 VAL HG1% A 33 VAL HA 1.0 1.8 3.92 504 469 A 45 GLU HA A 44 ALA HB% 1.0 1.8 5.76 505 470 A 44 ALA HB% A 43 VAL HA 1.0 1.8 4.49 506 471 A 38 LEU HBy A 33 VAL HG1% 1.0 1.8 6.05 507 472 A 33 VAL HG1% A 38 LEU HG 1.0 1.8 3.82 508 473 A 44 ALA HB% A 43 VAL HB 1.0 1.8 6.05 509 474 A 74 TYR HD% A 71 PRO HBy 1.0 1.8 5.03 510 475 A 77 PHE H A 77 PHE HBx 1.0 1.8 4.26 511 476 A 25 LEU HD1% A 70 PHE HBy 1.0 1.8 4.57 512 477 A 43 VAL HG1% A 47 GLY HAy 1.0 1.8 4.47 513 478 A 70 PHE HE% A 59 GLY HAx 1.0 1.8 4.79 514 479 A 33 VAL HG2% A 59 GLY HAx 1.0 1.8 4.50 515 480 A 34 SER HA A 6 GLY HAx 1.0 1.8 4.42 516 481 A 76 GLU HGy A 10 ARG HBx 1.0 1.8 4.81 517 482 A 76 GLU HGy A 10 ARG HGx 1.0 1.8 5.72 518 482 A 76 GLU HGy A 10 ARG HGy 1.0 1.8 5.72 519 483 A 76 GLU HGy A 12 LEU HG 1.0 1.8 5.91 520 484 A 54 VAL HG2% A 54 VAL HA 1.0 1.8 3.70 521 485 A 54 VAL HG2% A 57 MET HE% 1.0 1.8 4.40 522 486 A 54 VAL HG1% A 54 VAL H 1.0 1.8 4.85 523 487 A 54 VAL HG1% A 54 VAL HA 1.0 1.8 3.83 524 488 A 54 VAL HG1% A 57 MET HGx 1.0 1.8 4.03 525 489 A 54 VAL HG1% A 57 MET HE% 1.0 1.8 4.23 526 490 A 43 VAL HG2% A 54 VAL HG1% 1.0 1.8 3.28 527 491 A 33 VAL HG2% A 9 TYR HE% 1.0 1.8 4.22 528 492 A 33 VAL HG2% A 59 GLY HAy 1.0 1.8 4.50 529 493 A 33 VAL HG2% A 33 VAL HA 1.0 1.8 3.90 530 494 A 33 VAL HG2% A 32 VAL HG1% 1.0 1.8 5.30 531 495 A 57 MET HBy A 33 VAL HG2% 1.0 1.8 5.98 532 496 A 9 TYR HD% A 57 MET HE% 1.0 1.8 5.03 533 497 A 57 MET HE% A 9 TYR HE% 1.0 1.8 4.41 534 498 A 70 PHE HE% A 57 MET HE% 1.0 1.8 5.25 535 499 A 57 MET HE% A 70 PHE HZ 1.0 1.8 5.51 536 500 A 38 LEU HBx A 35 ARG HA 1.0 1.8 4.99 537 501 A 51 PRO HA A 57 MET HE% 1.0 1.8 3.79 538 502 A 57 MET HE% A 51 PRO HBy 1.0 1.8 4.27 539 503 A 54 VAL HB A 57 MET HE% 1.0 1.8 4.49 540 504 A 57 MET HE% A 57 MET HGy 1.0 1.8 4.25 541 505 A 57 MET HE% A 57 MET HGx 1.0 1.8 4.25 542 506 A 38 LEU HBx A 38 LEU HD1% 1.0 1.8 4.23 543 507 A 57 MET HBy A 57 MET HE% 1.0 1.8 4.05 544 508 A 40 ALA HB% A 41 LEU HA 1.0 1.8 5.05 545 509 A 37 ALA HB% A 36 ALA H 1.0 1.8 5.51 546 510 A 39 GLN H A 37 ALA HB% 1.0 1.8 5.92 547 511 A 37 ALA HB% A 33 VAL HA 1.0 1.8 5.24 548 512 A 37 ALA HB% A 58 PRO HDx 1.0 1.8 4.81 549 513 A 37 ALA HB% A 58 PRO HGy 1.0 1.8 4.08 550 514 A 37 ALA HB% A 58 PRO HGx 1.0 1.8 4.08 551 515 A 33 VAL HG1% A 37 ALA HB% 1.0 1.8 3.39 552 516 A 37 ALA HB% A 38 LEU HD1% 1.0 1.8 4.85 553 517 A 37 ALA HB% A 38 LEU HD2% 1.0 1.8 4.98 554 518 A 11 ALA HB% A 10 ARG HA 1.0 1.8 4.63 555 519 A 11 ALA HB% A 29 ASP HBx 1.0 1.8 3.96 556 519 A 29 ASP HBy A 11 ALA HB% 1.0 1.8 3.96 557 520 A 11 ALA HB% A 25 LEU HBy 1.0 1.8 4.48 558 521 A 25 LEU HD2% A 11 ALA HB% 1.0 1.8 4.33 559 522 A 39 GLN HA A 39 GLN HGy 1.0 1.8 4.63 560 523 A 62 GLU H A 62 GLU HGy 1.0 1.8 4.76 561 524 A 32 VAL HG2% A 62 GLU HGy 1.0 1.8 4.66 562 525 A 60 LEU HD2% A 62 GLU HGy 1.0 1.8 4.96 563 526 A 76 GLU HGx A 10 ARG HBx 1.0 1.8 4.88 564 527 A 8 GLN HGx A 32 VAL HG2% 1.0 1.8 4.64 565 528 A 8 GLN HGx A 32 VAL HG1% 1.0 1.8 4.66 566 529 A 8 GLN H A 8 GLN HGy 1.0 1.8 5.03 567 530 A 8 GLN HA A 8 GLN HGy 1.0 1.8 4.66 568 531 A 81 LEU HD2% A 8 GLN HGy 1.0 1.8 4.51 569 532 A 67 ARG HDy A 67 ARG HBx 1.0 1.8 4.41 570 532 A 67 ARG HBx A 67 ARG HDx 1.0 1.8 4.41 571 533 A 70 PHE HE% A 33 VAL HG1% 1.0 1.8 5.35 572 534 A 33 VAL HG1% A 70 PHE HZ 1.0 1.8 5.84 573 535 A 33 VAL HG1% A 38 LEU HD1% 1.0 1.8 3.45 574 536 A 33 VAL HG1% A 38 LEU HD2% 1.0 1.8 3.84 575 537 A 33 VAL H A 32 VAL HG2% 1.0 1.8 4.63 576 538 A 32 VAL H A 32 VAL HG2% 1.0 1.8 4.13 577 539 A 31 LEU HA A 32 VAL HG2% 1.0 1.8 4.97 578 540 A 32 VAL HA A 32 VAL HG2% 1.0 1.8 3.88 579 541 A 62 GLU HGx A 32 VAL HG2% 1.0 1.8 4.21 580 542 A 81 LEU HD2% A 32 VAL HG2% 1.0 1.8 3.71 581 543 A 30 VAL HG1% A 30 VAL H 1.0 1.8 4.77 582 544 A 30 VAL HG1% A 8 GLN HE21 1.0 1.8 4.86 583 545 A 30 VAL HG1% A 10 ARG HA 1.0 1.8 5.17 584 546 A 30 VAL HG1% A 31 LEU HA 1.0 1.8 5.49 585 547 A 32 VAL HG1% A 32 VAL HA 1.0 1.8 3.96 586 548 A 30 VAL HG1% A 30 VAL HA 1.0 1.8 3.86 587 549 A 30 VAL HG1% A 62 GLU HGx 1.0 1.8 4.30 588 550 A 30 VAL HG1% A 10 ARG HGx 1.0 1.8 6.05 589 550 A 30 VAL HG1% A 10 ARG HGy 1.0 1.8 6.05 590 551 A 81 LEU HG A 32 VAL HG1% 1.0 1.8 6.05 591 552 A 30 VAL HG2% A 31 LEU H 1.0 1.8 4.88 592 553 A 30 VAL HG2% A 30 VAL HA 1.0 1.8 3.79 593 554 A 29 ASP HA A 30 VAL HG2% 1.0 1.8 4.71 594 555 A 30 VAL HG2% A 29 ASP HBx 1.0 1.8 5.01 595 555 A 29 ASP HBy A 30 VAL HG2% 1.0 1.8 5.01 596 556 A 30 VAL HG2% A 10 ARG HGx 1.0 1.8 4.13 597 556 A 10 ARG HGy A 30 VAL HG2% 1.0 1.8 4.13 598 557 A 78 LEU HD1% A 30 VAL HG2% 1.0 1.8 3.94 599 558 A 11 ALA H A 31 LEU HD2% 1.0 1.8 6.05 600 559 A 59 GLY H A 31 LEU HD2% 1.0 1.8 6.05 601 560 A 70 PHE HE% A 31 LEU HD2% 1.0 1.8 4.94 602 561 A 31 LEU HD2% A 70 PHE HZ 1.0 1.8 5.56 603 562 A 31 LEU HA A 31 LEU HD2% 1.0 1.8 4.20 604 563 A 11 ALA HB% A 31 LEU HD2% 1.0 1.8 4.51 605 564 A 31 LEU HD2% A 31 LEU HBy 1.0 1.8 4.46 606 565 A 31 LEU HD2% A 31 LEU HBx 1.0 1.8 4.46 607 566 A 25 LEU HD2% A 31 LEU HD2% 1.0 1.8 3.54 608 567 A 11 ALA H A 31 LEU HD1% 1.0 1.8 4.86 609 568 A 62 GLU H A 31 LEU HD1% 1.0 1.8 5.24 610 569 A 31 LEU H A 31 LEU HD1% 1.0 1.8 4.39 611 570 A 31 LEU HA A 31 LEU HD1% 1.0 1.8 4.25 612 571 A 61 ASN HA A 31 LEU HD1% 1.0 1.8 4.23 613 572 A 30 VAL HA A 31 LEU HD1% 1.0 1.8 4.85 614 573 A 31 LEU HD1% A 29 ASP HBx 1.0 1.8 4.55 615 573 A 29 ASP HBy A 31 LEU HD1% 1.0 1.8 4.55 616 574 A 31 LEU HD1% A 25 LEU HG 1.0 1.8 6.05 617 575 A 31 LEU HD1% A 62 GLU HBx 1.0 1.8 5.87 618 575 A 62 GLU HBy A 31 LEU HD1% 1.0 1.8 5.87 619 576 A 11 ALA HB% A 31 LEU HD1% 1.0 1.8 4.16 620 577 A 31 LEU HD1% A 31 LEU HBy 1.0 1.8 4.44 621 578 A 31 LEU HD1% A 31 LEU HBx 1.0 1.8 4.44 622 579 A 25 LEU HD2% A 31 LEU HD1% 1.0 1.8 3.45 623 580 A 31 LEU HG A 31 LEU H 1.0 1.8 4.98 624 581 A 9 TYR HBy A 31 LEU HBx 1.0 1.8 5.04 625 582 A 38 LEU HBx A 43 VAL HB 1.0 1.8 4.15 626 583 A 43 VAL H A 43 VAL HG1% 1.0 1.8 4.88 627 584 A 45 GLU HA A 43 VAL HG1% 1.0 1.8 4.88 628 585 A 43 VAL HG1% A 43 VAL HA 1.0 1.8 3.60 629 586 A 43 VAL HG1% A 47 GLY HAx 1.0 1.8 4.47 630 587 A 43 VAL HG1% A 38 LEU HG 1.0 1.8 6.05 631 588 A 54 VAL HB A 43 VAL HG1% 1.0 1.8 6.05 632 589 A 38 LEU HBx A 43 VAL HG1% 1.0 1.8 4.33 633 590 A 44 ALA HB% A 43 VAL HG1% 1.0 1.8 4.64 634 591 A 43 VAL HG1% A 38 LEU HD1% 1.0 1.8 4.19 635 592 A 43 VAL HG2% A 38 LEU HA 1.0 1.8 4.40 636 593 A 43 VAL HG2% A 43 VAL HA 1.0 1.8 3.69 637 594 A 38 LEU HBy A 43 VAL HG2% 1.0 1.8 4.91 638 595 A 38 LEU HBx A 43 VAL HG2% 1.0 1.8 4.08 639 596 A 43 VAL HG2% A 54 VAL HG2% 1.0 1.8 3.40 640 597 A 26 LEU HD2% A 26 LEU HA 1.0 1.8 3.64 641 598 A 26 LEU HD2% A 27 PRO HDy 1.0 1.8 4.84 642 599 A 26 LEU HD2% A 14 PRO HBx 1.0 1.8 4.27 643 600 A 26 LEU HD2% A 26 LEU HBx 1.0 1.8 3.81 644 601 A 40 ALA HB% A 41 LEU HD2% 1.0 1.8 4.58 645 602 A 41 LEU HD2% A 57 MET HBx 1.0 1.8 4.65 646 603 A 38 LEU H A 38 LEU HD2% 1.0 1.8 4.61 647 604 A 38 LEU HA A 38 LEU HD2% 1.0 1.8 3.56 648 605 A 38 LEU HBy A 38 LEU HD2% 1.0 1.8 4.19 649 606 A 43 VAL HB A 38 LEU HD2% 1.0 1.8 4.20 650 607 A 38 LEU HBx A 38 LEU HD2% 1.0 1.8 3.37 651 608 A 78 LEU HD2% A 10 ARG HDx 1.0 1.8 5.35 652 609 A 78 LEU HD2% A 76 GLU HGy 1.0 1.8 4.81 653 610 A 78 LEU HD2% A 76 GLU HGx 1.0 1.8 4.51 654 611 A 78 LEU HD2% A 10 ARG HBx 1.0 1.8 4.27 655 612 A 78 LEU HD2% A 10 ARG HBy 1.0 1.8 4.25 656 613 A 78 LEU HD2% A 78 LEU HBx 1.0 1.8 3.82 657 613 A 78 LEU HBy A 78 LEU HD2% 1.0 1.8 3.82 658 614 A 12 LEU HD2% A 10 ARG HDy 1.0 1.8 5.06 659 615 A 12 LEU HD2% A 10 ARG HDx 1.0 1.8 5.06 660 616 A 12 LEU HD2% A 76 GLU HGy 1.0 1.8 4.31 661 617 A 12 LEU HD2% A 76 GLU HGx 1.0 1.8 5.10 662 618 A 12 LEU HD2% A 10 ARG HBx 1.0 1.8 4.95 663 619 A 41 LEU HD1% A 57 MET HA 1.0 1.8 4.32 664 620 A 41 LEU HD1% A 41 LEU HA 1.0 1.8 4.80 665 621 A 38 LEU HA A 41 LEU HD1% 1.0 1.8 4.06 666 622 A 41 LEU HD1% A 58 PRO HDy 1.0 1.8 4.29 667 623 A 41 LEU HD1% A 41 LEU HBx 1.0 1.8 3.94 668 624 A 41 LEU HD1% A 57 MET HBx 1.0 1.8 4.30 669 625 A 26 LEU HD1% A 26 LEU HA 1.0 1.8 4.59 670 626 A 26 LEU HD1% A 27 PRO HDy 1.0 1.8 5.01 671 627 A 26 LEU HD1% A 27 PRO HDx 1.0 1.8 5.01 672 628 A 26 LEU HD1% A 14 PRO HBy 1.0 1.8 4.89 673 629 A 26 LEU HD1% A 26 LEU HBx 1.0 1.8 3.67 674 630 A 23 LEU HD2% A 70 PHE HD% 1.0 1.8 4.83 675 631 A 65 ARG HA A 60 LEU HD2% 1.0 1.8 4.75 676 632 A 32 VAL HB A 60 LEU HD2% 1.0 1.8 4.03 677 633 A 60 LEU HD2% A 60 LEU HBy 1.0 1.8 3.84 678 634 A 60 LEU HD2% A 60 LEU HBx 1.0 1.8 3.84 679 635 A 61 ASN HD2x A 25 LEU HD2% 1.0 1.8 4.87 680 636 A 25 LEU HA A 25 LEU HD2% 1.0 1.8 4.09 681 637 A 12 LEU HD1% A 12 LEU HA 1.0 1.8 4.92 682 638 A 12 LEU HD1% A 76 GLU HGy 1.0 1.8 4.91 683 639 A 78 LEU HD1% A 9 TYR H 1.0 1.8 5.47 684 640 A 78 LEU HD1% A 10 ARG H 1.0 1.8 5.69 685 641 A 78 LEU HD1% A 10 ARG HA 1.0 1.8 5.05 686 642 A 9 TYR HA A 78 LEU HD1% 1.0 1.8 4.92 687 643 A 78 LEU HD1% A 78 LEU HA 1.0 1.8 4.88 688 644 A 78 LEU HD1% A 8 GLN HBx 1.0 1.8 4.41 689 644 A 8 GLN HBy A 78 LEU HD1% 1.0 1.8 4.41 690 645 A 78 LEU HD1% A 10 ARG HBx 1.0 1.8 4.58 691 646 A 78 LEU HD1% A 10 ARG HBy 1.0 1.8 3.87 692 647 A 78 LEU HD1% A 78 LEU HBx 1.0 1.8 3.32 693 647 A 78 LEU HBy A 78 LEU HD1% 1.0 1.8 3.32 694 648 A 25 LEU HD2% A 31 LEU HG 1.0 1.8 4.64 695 649 A 23 LEU HD1% A 61 ASN H 1.0 1.8 4.46 696 650 A 23 LEU HD1% A 24 GLU H 1.0 1.8 4.42 697 651 A 67 ARG HA A 23 LEU HD1% 1.0 1.8 4.44 698 652 A 23 LEU HD1% A 23 LEU HA 1.0 1.8 3.70 699 653 A 25 LEU HD1% A 70 PHE HBx 1.0 1.8 4.57 700 654 A 25 LEU HD1% A 25 LEU HBy 1.0 1.8 4.05 701 655 A 23 LEU HD1% A 66 GLN HBy 1.0 1.8 3.95 702 656 A 11 ALA HB% A 25 LEU HD1% 1.0 1.8 3.86 703 657 A 25 LEU HD1% A 25 LEU HBx 1.0 1.8 4.05 704 658 A 81 LEU HD2% A 8 GLN HE21 1.0 1.8 5.04 705 659 A 60 LEU HA A 60 LEU HD1% 1.0 1.8 3.99 706 660 A 65 ARG HA A 60 LEU HD1% 1.0 1.8 3.92 707 661 A 60 LEU HD1% A 67 ARG HDx 1.0 1.8 4.35 708 661 A 60 LEU HD1% A 67 ARG HDy 1.0 1.8 4.35 709 662 A 81 LEU HD2% A 7 PHE H 1.0 1.8 6.05 710 663 A 81 LEU HD1% A 7 PHE HA 1.0 1.8 6.05 711 664 A 81 LEU HD2% A 7 PHE HA 1.0 1.8 6.05 712 665 A 81 LEU HD1% A 81 LEU HA 1.0 1.8 4.76 713 666 A 81 LEU HD2% A 81 LEU HA 1.0 1.8 4.99 714 667 A 81 LEU HD2% A 8 GLN HGx 1.0 1.8 3.92 715 668 A 38 LEU HBy A 43 VAL HB 1.0 1.8 4.79 716 669 A 38 LEU HD1% A 7 PHE HE% 1.0 1.8 4.77 717 670 A 35 ARG HA A 38 LEU HD1% 1.0 1.8 4.54 718 671 A 38 LEU HD1% A 48 GLU HA 1.0 1.8 4.55 719 672 A 38 LEU HBy A 38 LEU HD1% 1.0 1.8 4.04 720 673 A 38 LEU HD1% A 43 VAL HB 1.0 1.8 5.07 721 674 A 23 LEU HD1% A 23 LEU HBx 1.0 1.8 4.26 722 675 A 11 ALA HB% A 25 LEU HBx 1.0 1.8 4.48 723 676 A 32 VAL HB A 60 LEU HBy 1.0 1.8 4.72 724 677 A 32 VAL HB A 60 LEU HBx 1.0 1.8 4.72 725 678 A 68 GLY H A 23 LEU HD2% 1.0 1.8 4.55 726 679 A 60 LEU HA A 23 LEU HD2% 1.0 1.8 4.68 727 680 A 23 LEU HD2% A 61 ASN HBy 1.0 1.8 4.43 728 681 A 23 LEU HD2% A 23 LEU HBx 1.0 1.8 3.89 729 682 A 60 LEU HD2% A 32 VAL HG2% 1.0 1.8 4.42 730 683 A 26 LEU HG A 63 ARG HDy 1.0 1.8 4.63 731 684 A 26 LEU HBx A 63 ARG HDy 1.0 1.8 4.72 732 685 A 17 ARG HBx A 22 ASP HBx 1.0 1.8 4.27 733 685 A 17 ARG HBx A 22 ASP HBy 1.0 1.8 4.27 734 686 A 49 ARG HDy A 49 ARG HBx 1.0 1.8 4.39 735 686 A 49 ARG HBx A 49 ARG HDx 1.0 1.8 4.39 736 687 A 7 PHE HBx A 9 TYR HE% 1.0 1.8 5.02 737 688 A 7 PHE HBy A 33 VAL HB 1.0 1.8 5.06 738 689 A 7 PHE HE% A 35 ARG HDx 1.0 1.8 4.97 739 689 A 7 PHE HE% A 35 ARG HDy 1.0 1.8 4.97 740 690 A 26 LEU HG A 63 ARG HDx 1.0 1.8 4.63 741 691 A 26 LEU HBx A 63 ARG HDx 1.0 1.8 4.72 742 692 A 25 LEU HD2% A 29 ASP HBx 1.0 1.8 5.06 743 692 A 29 ASP HBy A 25 LEU HD2% 1.0 1.8 5.06 744 693 A 16 ARG HA A 16 ARG HDx 1.0 1.8 4.89 745 693 A 16 ARG HA A 16 ARG HDy 1.0 1.8 4.89 746 694 A 78 LEU HD1% A 10 ARG HDx 1.0 1.8 5.02 747 695 A 78 LEU HD1% A 10 ARG HDy 1.0 1.8 5.02 748 696 A 78 LEU HD2% A 10 ARG HDy 1.0 1.8 5.35 749 697 A 75 VAL HG1% A 9 TYR HBx 1.0 1.8 4.92 750 698 A 9 TYR HBy A 31 LEU HBy 1.0 1.8 5.04 751 699 A 38 LEU HA A 41 LEU HBy 1.0 1.8 5.06 752 700 A 41 LEU HD1% A 41 LEU HBy 1.0 1.8 3.94 753 701 A 38 LEU HA A 41 LEU HBx 1.0 1.8 5.06 754 702 A 8 GLN HBx A 78 LEU HBx 1.0 1.8 4.50 755 702 A 78 LEU HBy A 8 GLN HBx 1.0 1.8 4.50 756 702 A 8 GLN HBy A 78 LEU HBy 1.0 1.8 4.50 757 702 A 8 GLN HBy A 78 LEU HBx 1.0 1.8 4.50 758 703 A 30 VAL HG1% A 78 LEU HBx 1.0 1.8 5.36 759 703 A 30 VAL HG1% A 78 LEU HBy 1.0 1.8 5.36 760 704 A 26 LEU HA A 14 PRO HBx 1.0 1.8 5.02 761 705 A 14 PRO HBx A 27 PRO HDy 1.0 1.8 4.97 762 706 A 14 PRO HBx A 27 PRO HDx 1.0 1.8 4.97 763 707 A 9 TYR HE% A 51 PRO HBy 1.0 1.8 4.99 764 708 A 75 VAL HG2% A 51 PRO HBy 1.0 1.8 4.46 765 709 A 36 ALA H A 35 ARG HBx 1.0 1.8 5.28 766 710 A 49 ARG HDy A 49 ARG HBy 1.0 1.8 4.39 767 710 A 49 ARG HBy A 49 ARG HDx 1.0 1.8 4.39 768 711 A 70 PHE HE% A 57 MET HBy 1.0 1.8 4.89 769 712 A 54 VAL HG1% A 57 MET HGy 1.0 1.8 4.03 770 713 A 41 LEU H A 41 LEU HG 1.0 1.8 4.44 771 714 A 46 GLY H A 45 GLU HA 1.0 1.8 3.45 772 715 A 11 ALA H A 10 ARG HGx 1.0 1.8 4.88 773 715 A 10 ARG HGy A 11 ALA H 1.0 1.8 4.88 774 716 A 76 GLU H A 12 LEU HG 1.0 1.8 5.03 775 717 A 67 ARG HDy A 67 ARG HBy 1.0 1.8 4.41 776 717 A 67 ARG HBy A 67 ARG HDx 1.0 1.8 4.41 777 718 A 26 LEU H A 26 LEU HG 1.0 1.8 5.05 778 719 A 11 ALA HA A 10 ARG HGx 1.0 1.8 5.41 779 719 A 11 ALA HA A 10 ARG HGy 1.0 1.8 5.41 780 720 A 67 ARG HA A 60 LEU HD1% 1.0 1.8 4.63 781 721 A 57 MET HA A 58 PRO HDy 1.0 1.8 3.95 782 722 A 37 ALA HB% A 58 PRO HDy 1.0 1.8 4.81 783 723 A 57 MET HBx A 58 PRO HDy 1.0 1.8 4.71 784 724 A 26 LEU HD2% A 14 PRO HBy 1.0 1.8 5.15 785 725 A 39 GLN H A 39 GLN HBx 1.0 1.8 4.33 786 726 A 30 VAL HG1% A 62 GLU HBx 1.0 1.8 4.92 787 726 A 30 VAL HG1% A 62 GLU HBy 1.0 1.8 4.92 788 727 A 23 LEU HD1% A 66 GLN HBx 1.0 1.8 4.63 789 728 A 57 MET HE% A 51 PRO HBx 1.0 1.8 4.27 790 729 A 21 GLU H A 20 PRO HBx 1.0 1.8 4.96 791 730 A 81 LEU HG A 8 GLN HBx 1.0 1.8 5.58 792 730 A 8 GLN HBy A 81 LEU HG 1.0 1.8 5.58 793 731 A 30 VAL HG1% A 8 GLN HBx 1.0 1.8 4.55 794 731 A 30 VAL HG1% A 8 GLN HBy 1.0 1.8 4.55 795 732 A 81 LEU HD2% A 8 GLN HBx 1.0 1.8 5.44 796 732 A 81 LEU HD2% A 8 GLN HBy 1.0 1.8 5.44 797 733 A 23 LEU HD2% A 31 LEU HD2% 1.0 1.8 4.09 798 734 A 31 LEU HD2% A 25 LEU HD1% 1.0 1.8 4.50 799 735 A 23 LEU HD2% A 31 LEU HD1% 1.0 1.8 5.22 800 736 A 31 LEU HD1% A 25 LEU HD1% 1.0 1.8 5.47 801 737 A 23 LEU HD1% A 23 LEU HBy 1.0 1.8 4.26 802 738 A 23 LEU HD2% A 23 LEU HBy 1.0 1.8 3.89 803 739 A 79 GLY HAy A 80 PRO HDx 1.0 1.8 4.16 804 740 A 16 ARG HDy A 16 ARG HBx 1.0 1.8 4.03 805 740 A 16 ARG HBx A 16 ARG HDx 1.0 1.8 4.03 806 741 A 16 ARG HDy A 16 ARG HBy 1.0 1.8 4.03 807 741 A 16 ARG HBy A 16 ARG HDx 1.0 1.8 4.03 808 742 A 13 TYR HA A 13 TYR HD% 1.0 1.8 4.39 809 743 A 14 PRO HDy A 13 TYR HD% 1.0 1.8 4.85 810 744 A 12 LEU HD1% A 13 TYR HD% 1.0 1.8 4.54 811 745 A 7 PHE HBx A 77 PHE HE% 1.0 1.8 4.22 812 746 A 70 PHE HE% A 59 GLY HAy 1.0 1.8 4.79 813 747 A 70 PHE HE% A 33 VAL HG2% 1.0 1.8 3.76 814 748 A 70 PHE HE% A 75 VAL HG2% 1.0 1.8 3.85 815 749 A 70 PHE HE% A 75 VAL HG1% 1.0 1.8 4.03 816 750 A 33 VAL HG2% A 70 PHE HZ 1.0 1.8 3.86 817 751 A 56 TRP H A 56 TRP HD1 1.0 1.8 4.53 818 752 A 7 PHE HD% A 7 PHE HA 1.0 1.8 4.40 819 753 A 7 PHE HD% A 38 LEU HD1% 1.0 1.8 4.09 820 754 A 7 PHE HD% A 35 ARG HA 1.0 1.8 5.42 821 755 A 73 THR HG2% A 74 TYR HD% 1.0 1.8 5.70 822 756 A 74 TYR HD% A 25 LEU HD1% 1.0 1.8 4.76 823 757 A 74 TYR HD% A 71 PRO HBx 1.0 1.8 5.03 824 758 A 75 VAL HG1% A 74 TYR HD% 1.0 1.8 5.57 825 759 A 77 PHE H A 9 TYR HD% 1.0 1.8 5.08 826 760 A 77 PHE HD% A 77 PHE H 1.0 1.8 5.47 827 761 A 9 TYR H A 9 TYR HD% 1.0 1.8 4.09 828 762 A 8 GLN H A 77 PHE HD% 1.0 1.8 4.80 829 763 A 78 LEU H A 77 PHE HD% 1.0 1.8 4.27 830 764 A 9 TYR HA A 9 TYR HD% 1.0 1.8 3.98 831 765 A 77 PHE HD% A 77 PHE HA 1.0 1.8 3.74 832 766 A 33 VAL HB A 9 TYR HD% 1.0 1.8 4.07 833 767 A 75 VAL HB A 9 TYR HD% 1.0 1.8 4.61 834 768 A 33 VAL HG2% A 9 TYR HD% 1.0 1.8 3.62 835 769 A 75 VAL HG2% A 9 TYR HD% 1.0 1.8 3.69 836 770 A 7 PHE H A 9 TYR HE% 1.0 1.8 6.05 837 771 A 9 TYR H A 9 TYR HE% 1.0 1.8 6.05 838 772 A 33 VAL H A 9 TYR HE% 1.0 1.8 6.05 839 773 A 77 PHE HA A 9 TYR HE% 1.0 1.8 4.77 840 774 A 9 TYR HE% A 51 PRO HDx 1.0 1.8 4.61 841 775 A 7 PHE HBy A 9 TYR HE% 1.0 1.8 4.32 842 776 A 33 VAL HB A 9 TYR HE% 1.0 1.8 3.62 843 777 A 9 TYR HE% A 51 PRO HBx 1.0 1.8 4.99 844 778 A 33 VAL HG1% A 9 TYR HE% 1.0 1.8 4.26 845 779 A 75 VAL HG2% A 9 TYR HE% 1.0 1.8 4.46 846 780 A 9 TYR HE% A 51 PRO HDy 1.0 1.8 4.61 847 781 A 12 LEU HD1% A 13 TYR HE% 1.0 1.8 5.09 848 782 A 77 PHE HZ A 79 GLY HAx 1.0 1.8 5.22 849 783 A 7 PHE HBx A 77 PHE HZ 1.0 1.8 5.15 850 784 A 77 PHE HZ A 79 GLY HAy 1.0 1.8 5.22 851 785 A 8 GLN H A 77 PHE HE% 1.0 1.8 4.99 852 786 A 77 PHE HE% A 48 GLU HGy 1.0 1.8 4.97 853 787 A 77 PHE HE% A 48 GLU HGx 1.0 1.8 4.97 854 788 A 57 MET HBy A 70 PHE HZ 1.0 1.8 5.53 855 789 A 75 VAL HG2% A 70 PHE HZ 1.0 1.8 5.71 856 790 A 75 VAL HG1% A 70 PHE HZ 1.0 1.8 5.01 857 791 A 15 PHE HD% A 25 LEU HG 1.0 1.8 6.05 858 792 A 70 PHE HD% A 25 LEU HD1% 1.0 1.8 5.02 859 793 A 6 GLY H A 4 PRO HBy 1.0 1.8 4.65 860 793 A 6 GLY H A 4 PRO HBx 1.0 1.8 4.65 861 794 A 5 GLU H A 5 GLU HBy 1.0 1.8 3.79 862 794 A 5 GLU H A 5 GLU HBx 1.0 1.8 3.79 863 795 A 5 GLU HA A 5 GLU HGy 1.0 1.8 4.11 864 795 A 5 GLU HA A 5 GLU HGx 1.0 1.8 4.11 865 796 A 81 LEU HD1% A 5 GLU HBy 1.0 1.8 5.46 866 796 A 81 LEU HD1% A 5 GLU HBx 1.0 1.8 5.46 867 797 A 7 PHE HD% A 6 GLY HAx 1.0 1.8 4.99 868 797 A 7 PHE HD% A 6 GLY HAy 1.0 1.8 4.99 869 798 A 34 SER HA A 6 GLY HAx 1.0 1.8 3.72 870 798 A 34 SER HA A 6 GLY HAy 1.0 1.8 3.72 871 799 A 35 ARG H A 6 GLY HAx 1.0 1.8 3.77 872 799 A 35 ARG H A 6 GLY HAy 1.0 1.8 3.77 873 800 A 81 LEU HD1% A 6 GLY HAx 1.0 1.8 4.43 874 800 A 81 LEU HD1% A 6 GLY HAy 1.0 1.8 4.43 875 801 A 81 LEU HD2% A 6 GLY HAx 1.0 1.8 5.46 876 801 A 81 LEU HD2% A 6 GLY HAy 1.0 1.8 5.46 877 802 A 7 PHE HA A 80 PRO HBx 1.0 1.8 5.87 878 802 A 7 PHE HA A 80 PRO HBy 1.0 1.8 5.87 879 803 A 7 PHE HE% A 35 ARG HBx 1.0 1.8 5.40 880 803 A 7 PHE HE% A 35 ARG HBy 1.0 1.8 5.40 881 804 A 7 PHE HE% A 80 PRO HBx 1.0 1.8 4.83 882 804 A 7 PHE HE% A 80 PRO HBy 1.0 1.8 4.83 883 805 A 8 GLN HGy A 8 GLN HE21 1.0 1.8 3.74 884 805 A 8 GLN HE22 A 8 GLN HGy 1.0 1.8 3.74 885 806 A 8 GLN HGx A 81 LEU HBx 1.0 1.8 4.84 886 806 A 8 GLN HGx A 81 LEU HBy 1.0 1.8 4.84 887 807 A 30 VAL HG1% A 8 GLN HE21 1.0 1.8 4.27 888 807 A 8 GLN HE22 A 30 VAL HG1% 1.0 1.8 4.27 889 808 A 32 VAL HG1% A 8 GLN HE21 1.0 1.8 5.13 890 808 A 8 GLN HE22 A 32 VAL HG1% 1.0 1.8 5.13 891 809 A 32 VAL HG2% A 8 GLN HE21 1.0 1.8 4.51 892 809 A 8 GLN HE22 A 32 VAL HG2% 1.0 1.8 4.51 893 810 A 81 LEU HD1% A 8 GLN HE21 1.0 1.8 4.91 894 810 A 8 GLN HE22 A 81 LEU HD1% 1.0 1.8 4.91 895 811 A 81 LEU HD2% A 8 GLN HE21 1.0 1.8 4.38 896 811 A 8 GLN HE22 A 81 LEU HD2% 1.0 1.8 4.38 897 812 A 9 TYR H A 31 LEU HBx 1.0 1.8 4.43 898 812 A 9 TYR H A 31 LEU HBy 1.0 1.8 4.43 899 813 A 9 TYR HBy A 31 LEU HBx 1.0 1.8 4.20 900 813 A 9 TYR HBy A 31 LEU HBy 1.0 1.8 4.20 901 814 A 9 TYR HD% A 51 PRO HGx 1.0 1.8 4.13 902 814 A 9 TYR HD% A 51 PRO HGy 1.0 1.8 4.13 903 815 A 9 TYR HE% A 51 PRO HBx 1.0 1.8 4.16 904 815 A 9 TYR HE% A 51 PRO HBy 1.0 1.8 4.16 905 816 A 9 TYR HE% A 51 PRO HGx 1.0 1.8 4.42 906 816 A 9 TYR HE% A 51 PRO HGy 1.0 1.8 4.42 907 817 A 9 TYR HE% A 51 PRO HDx 1.0 1.8 3.92 908 817 A 9 TYR HE% A 51 PRO HDy 1.0 1.8 3.92 909 818 A 9 TYR HE% A 77 PHE HBx 1.0 1.8 5.79 910 818 A 9 TYR HE% A 77 PHE HBy 1.0 1.8 5.79 911 819 A 10 ARG HGy A 28 GLY HAy 1.0 1.8 4.23 912 819 A 10 ARG HGx A 28 GLY HAy 1.0 1.8 4.23 913 819 A 28 GLY HAx A 10 ARG HGx 1.0 1.8 4.23 914 819 A 10 ARG HGy A 28 GLY HAx 1.0 1.8 4.23 915 820 A 30 VAL HG2% A 10 ARG HDx 1.0 1.8 4.82 916 820 A 30 VAL HG2% A 10 ARG HDy 1.0 1.8 4.82 917 821 A 78 LEU HD1% A 10 ARG HDx 1.0 1.8 4.35 918 821 A 78 LEU HD1% A 10 ARG HDy 1.0 1.8 4.35 919 822 A 78 LEU HD2% A 10 ARG HDx 1.0 1.8 4.43 920 822 A 78 LEU HD2% A 10 ARG HDy 1.0 1.8 4.43 921 823 A 12 LEU H A 12 LEU HBx 1.0 1.8 3.97 922 823 A 12 LEU H A 12 LEU HBy 1.0 1.8 3.97 923 824 A 13 TYR H A 12 LEU HBx 1.0 1.8 4.17 924 824 A 13 TYR H A 12 LEU HBy 1.0 1.8 4.17 925 825 A 13 TYR HD% A 12 LEU HBx 1.0 1.8 4.48 926 825 A 13 TYR HD% A 12 LEU HBy 1.0 1.8 4.48 927 826 A 13 TYR HE% A 12 LEU HBx 1.0 1.8 4.62 928 826 A 13 TYR HE% A 12 LEU HBy 1.0 1.8 4.62 929 827 A 12 LEU HD1% A 76 GLU HBy 1.0 1.8 4.63 930 827 A 12 LEU HD1% A 76 GLU HBx 1.0 1.8 4.63 931 828 A 12 LEU HD2% A 76 GLU HBy 1.0 1.8 4.47 932 828 A 12 LEU HD2% A 76 GLU HBx 1.0 1.8 4.47 933 829 A 13 TYR H A 13 TYR HBx 1.0 1.8 4.02 934 829 A 13 TYR H A 13 TYR HBy 1.0 1.8 4.02 935 830 A 13 TYR HA A 27 PRO HGy 1.0 1.8 4.92 936 830 A 13 TYR HA A 27 PRO HGx 1.0 1.8 4.92 937 831 A 14 PRO HDy A 13 TYR HBx 1.0 1.8 3.92 938 831 A 14 PRO HDy A 13 TYR HBy 1.0 1.8 3.92 939 832 A 14 PRO HA A 27 PRO HDx 1.0 1.8 4.40 940 832 A 14 PRO HA A 27 PRO HDy 1.0 1.8 4.40 941 833 A 14 PRO HBx A 27 PRO HDx 1.0 1.8 4.26 942 833 A 14 PRO HBx A 27 PRO HDy 1.0 1.8 4.26 943 834 A 26 LEU HD1% A 14 PRO HGy 1.0 1.8 5.32 944 834 A 26 LEU HD1% A 14 PRO HGx 1.0 1.8 5.32 945 835 A 14 PRO HGy A 27 PRO HDx 1.0 1.8 4.53 946 835 A 14 PRO HGx A 27 PRO HDx 1.0 1.8 4.53 947 835 A 27 PRO HDy A 14 PRO HGy 1.0 1.8 4.53 948 835 A 27 PRO HDy A 14 PRO HGx 1.0 1.8 4.53 949 836 A 14 PRO HDx A 27 PRO HGy 1.0 1.8 4.32 950 836 A 14 PRO HDx A 27 PRO HGx 1.0 1.8 4.32 951 837 A 14 PRO HDx A 27 PRO HDx 1.0 1.8 4.59 952 837 A 14 PRO HDx A 27 PRO HDy 1.0 1.8 4.59 953 838 A 15 PHE HBy A 25 LEU HBx 1.0 1.8 4.60 954 838 A 25 LEU HBy A 15 PHE HBy 1.0 1.8 4.60 955 838 A 15 PHE HBx A 25 LEU HBy 1.0 1.8 4.60 956 838 A 15 PHE HBx A 25 LEU HBx 1.0 1.8 4.60 957 839 A 25 LEU HG A 15 PHE HBy 1.0 1.8 5.16 958 839 A 25 LEU HG A 15 PHE HBx 1.0 1.8 5.16 959 840 A 25 LEU HD1% A 15 PHE HBy 1.0 1.8 4.58 960 840 A 25 LEU HD1% A 15 PHE HBx 1.0 1.8 4.58 961 841 A 15 PHE HD% A 25 LEU HBx 1.0 1.8 5.56 962 841 A 15 PHE HD% A 25 LEU HBy 1.0 1.8 5.56 963 842 A 16 ARG HA A 24 GLU HGy 1.0 1.8 4.55 964 842 A 16 ARG HA A 24 GLU HGx 1.0 1.8 4.55 965 843 A 16 ARG HBx A 16 ARG HDx 1.0 1.8 3.41 966 843 A 16 ARG HBy A 16 ARG HDx 1.0 1.8 3.41 967 843 A 16 ARG HDy A 16 ARG HBx 1.0 1.8 3.41 968 843 A 16 ARG HDy A 16 ARG HBy 1.0 1.8 3.41 969 844 A 16 ARG HBx A 24 GLU HGy 1.0 1.8 4.41 970 844 A 16 ARG HBy A 24 GLU HGy 1.0 1.8 4.41 971 844 A 24 GLU HGx A 16 ARG HBx 1.0 1.8 4.41 972 844 A 24 GLU HGx A 16 ARG HBy 1.0 1.8 4.41 973 845 A 17 ARG H A 17 ARG HGy 1.0 1.8 5.03 974 845 A 17 ARG H A 17 ARG HGx 1.0 1.8 5.03 975 846 A 17 ARG H A 24 GLU HGy 1.0 1.8 4.36 976 846 A 17 ARG H A 24 GLU HGx 1.0 1.8 4.36 977 847 A 19 ARG H A 17 ARG HGy 1.0 1.8 4.94 978 847 A 19 ARG H A 17 ARG HGx 1.0 1.8 4.94 979 848 A 17 ARG HGx A 22 ASP HBx 1.0 1.8 4.49 980 848 A 17 ARG HGy A 22 ASP HBx 1.0 1.8 4.49 981 848 A 22 ASP HBy A 17 ARG HGy 1.0 1.8 4.49 982 848 A 22 ASP HBy A 17 ARG HGx 1.0 1.8 4.49 983 849 A 21 GLU H A 20 PRO HBx 1.0 1.8 4.35 984 849 A 21 GLU H A 20 PRO HBy 1.0 1.8 4.35 985 850 A 21 GLU H A 20 PRO HGy 1.0 1.8 4.14 986 850 A 21 GLU H A 20 PRO HGx 1.0 1.8 4.14 987 851 A 21 GLU H A 21 GLU HBy 1.0 1.8 3.66 988 851 A 21 GLU H A 21 GLU HBx 1.0 1.8 3.66 989 852 A 21 GLU H A 21 GLU HGy 1.0 1.8 5.05 990 852 A 21 GLU H A 21 GLU HGx 1.0 1.8 5.05 991 853 A 21 GLU HA A 21 GLU HGy 1.0 1.8 4.02 992 853 A 21 GLU HGx A 21 GLU HA 1.0 1.8 4.02 993 854 A 22 ASP H A 21 GLU HBy 1.0 1.8 4.35 994 854 A 22 ASP H A 21 GLU HBx 1.0 1.8 4.35 995 855 A 22 ASP HA A 69 ASP HBy 1.0 1.8 4.68 996 855 A 22 ASP HA A 69 ASP HBx 1.0 1.8 4.68 997 856 A 23 LEU HD1% A 23 LEU HBx 1.0 1.8 3.73 998 856 A 23 LEU HD1% A 23 LEU HBy 1.0 1.8 3.73 999 857 A 23 LEU HBy A 70 PHE HBx 1.0 1.8 4.71 1000 857 A 23 LEU HBx A 70 PHE HBx 1.0 1.8 4.71 1001 857 A 70 PHE HBy A 23 LEU HBx 1.0 1.8 4.71 1002 857 A 23 LEU HBy A 70 PHE HBy 1.0 1.8 4.71 1003 858 A 23 LEU HD1% A 61 ASN HBy 1.0 1.8 4.26 1004 858 A 23 LEU HD1% A 61 ASN HBx 1.0 1.8 4.26 1005 859 A 23 LEU HD1% A 68 GLY HAy 1.0 1.8 5.39 1006 859 A 23 LEU HD1% A 68 GLY HAx 1.0 1.8 5.39 1007 860 A 23 LEU HD2% A 61 ASN HBy 1.0 1.8 3.81 1008 860 A 23 LEU HD2% A 61 ASN HBx 1.0 1.8 3.81 1009 861 A 61 ASN HD2y A 23 LEU HD2% 1.0 1.8 4.77 1010 861 A 61 ASN HD2x A 23 LEU HD2% 1.0 1.8 4.77 1011 862 A 23 LEU HD2% A 68 GLY HAy 1.0 1.8 4.36 1012 862 A 23 LEU HD2% A 68 GLY HAx 1.0 1.8 4.36 1013 863 A 23 LEU HD2% A 70 PHE HBx 1.0 1.8 4.87 1014 863 A 23 LEU HD2% A 70 PHE HBy 1.0 1.8 4.87 1015 864 A 24 GLU H A 24 GLU HGy 1.0 1.8 4.92 1016 864 A 24 GLU H A 24 GLU HGx 1.0 1.8 4.92 1017 865 A 61 ASN HD2y A 25 LEU HA 1.0 1.8 4.27 1018 865 A 61 ASN HD2x A 25 LEU HA 1.0 1.8 4.27 1019 866 A 25 LEU HD1% A 25 LEU HBx 1.0 1.8 3.52 1020 866 A 25 LEU HD1% A 25 LEU HBy 1.0 1.8 3.52 1021 867 A 26 LEU H A 25 LEU HBx 1.0 1.8 3.99 1022 867 A 26 LEU H A 25 LEU HBy 1.0 1.8 3.99 1023 868 A 25 LEU HD1% A 71 PRO HDx 1.0 1.8 4.59 1024 868 A 25 LEU HD1% A 71 PRO HDy 1.0 1.8 4.59 1025 869 A 25 LEU HD1% A 74 TYR HBx 1.0 1.8 4.73 1026 869 A 25 LEU HD1% A 74 TYR HBy 1.0 1.8 4.73 1027 870 A 61 ASN HD2y A 25 LEU HD2% 1.0 1.8 4.20 1028 870 A 61 ASN HD2x A 25 LEU HD2% 1.0 1.8 4.20 1029 871 A 25 LEU HD2% A 70 PHE HBx 1.0 1.8 4.59 1030 871 A 25 LEU HD2% A 70 PHE HBy 1.0 1.8 4.59 1031 872 A 61 ASN HD2y A 26 LEU H 1.0 1.8 5.04 1032 872 A 61 ASN HD2x A 26 LEU H 1.0 1.8 5.04 1033 873 A 26 LEU HA A 27 PRO HDx 1.0 1.8 3.59 1034 873 A 26 LEU HA A 27 PRO HDy 1.0 1.8 3.59 1035 874 A 26 LEU HBx A 27 PRO HDx 1.0 1.8 3.96 1036 874 A 26 LEU HBx A 27 PRO HDy 1.0 1.8 3.96 1037 875 A 26 LEU HBx A 63 ARG HBx 1.0 1.8 5.81 1038 875 A 26 LEU HBx A 63 ARG HBy 1.0 1.8 5.81 1039 876 A 26 LEU HBx A 63 ARG HDx 1.0 1.8 4.15 1040 876 A 26 LEU HBx A 63 ARG HDy 1.0 1.8 4.15 1041 877 A 26 LEU HG A 63 ARG HBx 1.0 1.8 4.71 1042 877 A 26 LEU HG A 63 ARG HBy 1.0 1.8 4.71 1043 878 A 26 LEU HD1% A 27 PRO HBy 1.0 1.8 5.67 1044 878 A 26 LEU HD1% A 27 PRO HBx 1.0 1.8 5.67 1045 879 A 26 LEU HD1% A 27 PRO HGy 1.0 1.8 4.83 1046 879 A 26 LEU HD1% A 27 PRO HGx 1.0 1.8 4.83 1047 880 A 26 LEU HD1% A 27 PRO HDx 1.0 1.8 4.38 1048 880 A 26 LEU HD1% A 27 PRO HDy 1.0 1.8 4.38 1049 881 A 26 LEU HD2% A 27 PRO HDx 1.0 1.8 4.18 1050 881 A 26 LEU HD2% A 27 PRO HDy 1.0 1.8 4.18 1051 882 A 26 LEU HD2% A 63 ARG HBx 1.0 1.8 4.26 1052 882 A 26 LEU HD2% A 63 ARG HBy 1.0 1.8 4.26 1053 883 A 28 GLY H A 27 PRO HBy 1.0 1.8 4.42 1054 883 A 28 GLY H A 27 PRO HBx 1.0 1.8 4.42 1055 884 A 61 ASN HD2y A 29 ASP HBx 1.0 1.8 4.16 1056 884 A 29 ASP HBy A 61 ASN HD2y 1.0 1.8 4.16 1057 884 A 29 ASP HBy A 61 ASN HD2x 1.0 1.8 4.16 1058 884 A 61 ASN HD2x A 29 ASP HBx 1.0 1.8 4.16 1059 885 A 30 VAL HG1% A 31 LEU HBx 1.0 1.8 5.12 1060 885 A 30 VAL HG1% A 31 LEU HBy 1.0 1.8 5.12 1061 886 A 31 LEU H A 31 LEU HBx 1.0 1.8 3.95 1062 886 A 31 LEU H A 31 LEU HBy 1.0 1.8 3.95 1063 887 A 32 VAL H A 31 LEU HBx 1.0 1.8 4.02 1064 887 A 32 VAL H A 31 LEU HBy 1.0 1.8 4.02 1065 888 A 33 VAL HG2% A 31 LEU HBx 1.0 1.8 4.46 1066 888 A 33 VAL HG2% A 31 LEU HBy 1.0 1.8 4.46 1067 889 A 60 LEU H A 31 LEU HBx 1.0 1.8 4.99 1068 889 A 60 LEU H A 31 LEU HBy 1.0 1.8 4.99 1069 890 A 70 PHE HE% A 31 LEU HBx 1.0 1.8 5.32 1070 890 A 70 PHE HE% A 31 LEU HBy 1.0 1.8 5.32 1071 891 A 70 PHE HZ A 31 LEU HBx 1.0 1.8 5.65 1072 891 A 70 PHE HZ A 31 LEU HBy 1.0 1.8 5.65 1073 892 A 31 LEU HD1% A 61 ASN HBy 1.0 1.8 4.82 1074 892 A 31 LEU HD1% A 61 ASN HBx 1.0 1.8 4.82 1075 893 A 31 LEU HD2% A 59 GLY HAx 1.0 1.8 4.65 1076 893 A 31 LEU HD2% A 59 GLY HAy 1.0 1.8 4.65 1077 894 A 61 ASN HD2y A 31 LEU HD2% 1.0 1.8 4.95 1078 894 A 61 ASN HD2x A 31 LEU HD2% 1.0 1.8 4.95 1079 895 A 31 LEU HD2% A 70 PHE HBx 1.0 1.8 4.87 1080 895 A 31 LEU HD2% A 70 PHE HBy 1.0 1.8 4.87 1081 896 A 32 VAL H A 60 LEU HBx 1.0 1.8 4.71 1082 896 A 32 VAL H A 60 LEU HBy 1.0 1.8 4.71 1083 897 A 32 VAL HB A 60 LEU HBx 1.0 1.8 3.94 1084 897 A 32 VAL HB A 60 LEU HBy 1.0 1.8 3.94 1085 898 A 32 VAL HG1% A 60 LEU HBx 1.0 1.8 4.77 1086 898 A 32 VAL HG1% A 60 LEU HBy 1.0 1.8 4.77 1087 899 A 33 VAL HA A 59 GLY HAx 1.0 1.8 4.75 1088 899 A 33 VAL HA A 59 GLY HAy 1.0 1.8 4.75 1089 900 A 33 VAL HG1% A 34 SER HBy 1.0 1.8 5.19 1090 900 A 33 VAL HG1% A 34 SER HBx 1.0 1.8 5.19 1091 901 A 33 VAL HG1% A 58 PRO HGx 1.0 1.8 5.89 1092 901 A 33 VAL HG1% A 58 PRO HGy 1.0 1.8 5.89 1093 902 A 33 VAL HG1% A 58 PRO HDx 1.0 1.8 4.88 1094 902 A 33 VAL HG1% A 58 PRO HDy 1.0 1.8 4.88 1095 903 A 34 SER H A 34 SER HBy 1.0 1.8 3.74 1096 903 A 34 SER H A 34 SER HBx 1.0 1.8 3.74 1097 904 A 35 ARG H A 34 SER HBy 1.0 1.8 4.13 1098 904 A 35 ARG H A 34 SER HBx 1.0 1.8 4.13 1099 905 A 36 ALA H A 34 SER HBy 1.0 1.8 4.79 1100 905 A 36 ALA H A 34 SER HBx 1.0 1.8 4.79 1101 906 A 36 ALA HB% A 34 SER HBy 1.0 1.8 4.77 1102 906 A 36 ALA HB% A 34 SER HBx 1.0 1.8 4.77 1103 907 A 37 ALA H A 34 SER HBy 1.0 1.8 4.35 1104 907 A 37 ALA H A 34 SER HBx 1.0 1.8 4.35 1105 908 A 37 ALA HB% A 34 SER HBy 1.0 1.8 4.46 1106 908 A 37 ALA HB% A 34 SER HBx 1.0 1.8 4.46 1107 909 A 35 ARG H A 35 ARG HBx 1.0 1.8 3.58 1108 909 A 35 ARG H A 35 ARG HBy 1.0 1.8 3.58 1109 910 A 36 ALA H A 35 ARG HBx 1.0 1.8 4.54 1110 910 A 36 ALA H A 35 ARG HBy 1.0 1.8 4.54 1111 911 A 36 ALA HA A 39 GLN HGx 1.0 1.8 4.95 1112 911 A 36 ALA HA A 39 GLN HGy 1.0 1.8 4.95 1113 912 A 37 ALA HB% A 58 PRO HDx 1.0 1.8 4.17 1114 912 A 37 ALA HB% A 58 PRO HDy 1.0 1.8 4.17 1115 913 A 38 LEU HA A 41 LEU HBx 1.0 1.8 4.29 1116 913 A 38 LEU HA A 41 LEU HBy 1.0 1.8 4.29 1117 914 A 38 LEU HD1% A 48 GLU HBy 1.0 1.8 4.36 1118 914 A 38 LEU HD1% A 48 GLU HBx 1.0 1.8 4.36 1119 915 A 38 LEU HD2% A 48 GLU HBy 1.0 1.8 4.74 1120 915 A 38 LEU HD2% A 48 GLU HBx 1.0 1.8 4.74 1121 916 A 39 GLN H A 39 GLN HGx 1.0 1.8 3.82 1122 916 A 39 GLN H A 39 GLN HGy 1.0 1.8 3.82 1123 917 A 39 GLN HA A 39 GLN HGx 1.0 1.8 3.82 1124 917 A 39 GLN HA A 39 GLN HGy 1.0 1.8 3.82 1125 918 A 39 GLN HA A 39 GLN HE21 1.0 1.8 5.27 1126 918 A 39 GLN HA A 39 GLN HE22 1.0 1.8 5.27 1127 919 A 40 ALA H A 39 GLN HGx 1.0 1.8 5.01 1128 919 A 40 ALA H A 39 GLN HGy 1.0 1.8 5.01 1129 920 A 41 LEU H A 41 LEU HBx 1.0 1.8 3.39 1130 920 A 41 LEU H A 41 LEU HBy 1.0 1.8 3.39 1131 921 A 41 LEU HD2% A 41 LEU HBx 1.0 1.8 3.62 1132 921 A 41 LEU HD2% A 41 LEU HBy 1.0 1.8 3.62 1133 922 A 43 VAL H A 41 LEU HBx 1.0 1.8 4.77 1134 922 A 43 VAL H A 41 LEU HBy 1.0 1.8 4.77 1135 923 A 43 VAL HG1% A 41 LEU HBx 1.0 1.8 5.87 1136 923 A 43 VAL HG1% A 41 LEU HBy 1.0 1.8 5.87 1137 924 A 43 VAL HG2% A 41 LEU HBx 1.0 1.8 4.29 1138 924 A 43 VAL HG2% A 41 LEU HBy 1.0 1.8 4.29 1139 925 A 41 LEU HD1% A 57 MET HGx 1.0 1.8 4.16 1140 925 A 41 LEU HD1% A 57 MET HGy 1.0 1.8 4.16 1141 926 A 41 LEU HD1% A 58 PRO HGx 1.0 1.8 4.75 1142 926 A 41 LEU HD1% A 58 PRO HGy 1.0 1.8 4.75 1143 927 A 41 LEU HD2% A 58 PRO HGx 1.0 1.8 4.91 1144 927 A 41 LEU HD2% A 58 PRO HGy 1.0 1.8 4.91 1145 928 A 43 VAL HG1% A 47 GLY HAx 1.0 1.8 3.66 1146 928 A 43 VAL HG1% A 47 GLY HAy 1.0 1.8 3.66 1147 929 A 45 GLU H A 45 GLU HGy 1.0 1.8 5.02 1148 929 A 45 GLU H A 45 GLU HGx 1.0 1.8 5.02 1149 930 A 49 ARG H A 47 GLY HAx 1.0 1.8 5.30 1150 930 A 49 ARG H A 47 GLY HAy 1.0 1.8 5.30 1151 931 A 48 GLU H A 48 GLU HBy 1.0 1.8 3.82 1152 931 A 48 GLU H A 48 GLU HBx 1.0 1.8 3.82 1153 932 A 48 GLU H A 48 GLU HGy 1.0 1.8 4.49 1154 932 A 48 GLU H A 48 GLU HGx 1.0 1.8 4.49 1155 933 A 49 ARG H A 48 GLU HGy 1.0 1.8 4.95 1156 933 A 49 ARG H A 48 GLU HGx 1.0 1.8 4.95 1157 934 A 49 ARG H A 49 ARG HBx 1.0 1.8 3.67 1158 934 A 49 ARG H A 49 ARG HBy 1.0 1.8 3.67 1159 935 A 49 ARG H A 49 ARG HGy 1.0 1.8 3.65 1160 935 A 49 ARG H A 49 ARG HGx 1.0 1.8 3.65 1161 936 A 49 ARG HA A 49 ARG HGy 1.0 1.8 3.96 1162 936 A 49 ARG HA A 49 ARG HGx 1.0 1.8 3.96 1163 937 A 49 ARG HBy A 49 ARG HDx 1.0 1.8 3.74 1164 937 A 49 ARG HBx A 49 ARG HDx 1.0 1.8 3.74 1165 937 A 49 ARG HDy A 49 ARG HBx 1.0 1.8 3.74 1166 937 A 49 ARG HDy A 49 ARG HBy 1.0 1.8 3.74 1167 938 A 50 CYS H A 49 ARG HBx 1.0 1.8 4.66 1168 938 A 50 CYS H A 49 ARG HBy 1.0 1.8 4.66 1169 939 A 50 CYS H A 50 CYS HBx 1.0 1.8 3.83 1170 939 A 50 CYS H A 50 CYS HBy 1.0 1.8 3.83 1171 940 A 50 CYS HA A 51 PRO HDx 1.0 1.8 3.51 1172 940 A 50 CYS HA A 51 PRO HDy 1.0 1.8 3.51 1173 941 A 53 SER H A 50 CYS HBx 1.0 1.8 5.03 1174 941 A 53 SER H A 50 CYS HBy 1.0 1.8 5.03 1175 942 A 50 CYS HBy A 53 SER HBy 1.0 1.8 4.76 1176 942 A 50 CYS HBx A 53 SER HBy 1.0 1.8 4.76 1177 942 A 53 SER HBx A 50 CYS HBx 1.0 1.8 4.76 1178 942 A 50 CYS HBy A 53 SER HBx 1.0 1.8 4.76 1179 943 A 51 PRO HA A 72 GLY HAx 1.0 1.8 5.85 1180 943 A 51 PRO HA A 72 GLY HAy 1.0 1.8 5.85 1181 944 A 57 MET HE% A 51 PRO HBx 1.0 1.8 3.72 1182 944 A 57 MET HE% A 51 PRO HBy 1.0 1.8 3.72 1183 945 A 51 PRO HBx A 72 GLY HAx 1.0 1.8 4.30 1184 945 A 51 PRO HBy A 72 GLY HAx 1.0 1.8 4.30 1185 945 A 72 GLY HAy A 51 PRO HBx 1.0 1.8 4.30 1186 945 A 51 PRO HBy A 72 GLY HAy 1.0 1.8 4.30 1187 946 A 52 GLN H A 51 PRO HGx 1.0 1.8 4.37 1188 946 A 52 GLN H A 51 PRO HGy 1.0 1.8 4.37 1189 947 A 57 MET HE% A 51 PRO HGx 1.0 1.8 4.27 1190 947 A 57 MET HE% A 51 PRO HGy 1.0 1.8 4.27 1191 948 A 75 VAL HG2% A 51 PRO HGx 1.0 1.8 3.75 1192 948 A 75 VAL HG2% A 51 PRO HGy 1.0 1.8 3.75 1193 949 A 52 GLN H A 51 PRO HDx 1.0 1.8 4.76 1194 949 A 52 GLN H A 51 PRO HDy 1.0 1.8 4.76 1195 950 A 75 VAL HG2% A 51 PRO HDx 1.0 1.8 4.69 1196 950 A 75 VAL HG2% A 51 PRO HDy 1.0 1.8 4.69 1197 951 A 52 GLN H A 52 GLN HBy 1.0 1.8 3.77 1198 951 A 52 GLN H A 52 GLN HBx 1.0 1.8 3.77 1199 952 A 52 GLN H A 52 GLN HGy 1.0 1.8 4.87 1200 952 A 52 GLN H A 52 GLN HGx 1.0 1.8 4.87 1201 953 A 53 SER H A 52 GLN HBy 1.0 1.8 4.80 1202 953 A 53 SER H A 52 GLN HBx 1.0 1.8 4.80 1203 954 A 73 THR HA A 52 GLN HBy 1.0 1.8 4.59 1204 954 A 73 THR HA A 52 GLN HBx 1.0 1.8 4.59 1205 955 A 73 THR HG2% A 52 GLN HBy 1.0 1.8 5.47 1206 955 A 73 THR HG2% A 52 GLN HBx 1.0 1.8 5.47 1207 956 A 53 SER H A 52 GLN HGy 1.0 1.8 4.55 1208 956 A 53 SER H A 52 GLN HGx 1.0 1.8 4.55 1209 957 A 53 SER H A 53 SER HBy 1.0 1.8 3.76 1210 957 A 53 SER H A 53 SER HBx 1.0 1.8 3.76 1211 958 A 54 VAL HB A 57 MET HGx 1.0 1.8 4.99 1212 958 A 54 VAL HB A 57 MET HGy 1.0 1.8 4.99 1213 959 A 54 VAL HG1% A 55 GLY HAy 1.0 1.8 4.91 1214 959 A 54 VAL HG1% A 55 GLY HAx 1.0 1.8 4.91 1215 960 A 56 TRP HD1 A 55 GLY HAy 1.0 1.8 4.87 1216 960 A 56 TRP HD1 A 55 GLY HAx 1.0 1.8 4.87 1217 961 A 56 TRP H A 56 TRP HBy 1.0 1.8 3.87 1218 961 A 56 TRP H A 56 TRP HBx 1.0 1.8 3.87 1219 962 A 57 MET H A 56 TRP HBy 1.0 1.8 4.63 1220 962 A 57 MET H A 56 TRP HBx 1.0 1.8 4.63 1221 963 A 57 MET H A 57 MET HGx 1.0 1.8 4.84 1222 963 A 57 MET H A 57 MET HGy 1.0 1.8 4.84 1223 964 A 57 MET HA A 58 PRO HDx 1.0 1.8 3.42 1224 964 A 57 MET HA A 58 PRO HDy 1.0 1.8 3.42 1225 965 A 57 MET HBx A 58 PRO HDx 1.0 1.8 3.98 1226 965 A 57 MET HBx A 58 PRO HDy 1.0 1.8 3.98 1227 966 A 57 MET HE% A 57 MET HGx 1.0 1.8 3.58 1228 966 A 57 MET HE% A 57 MET HGy 1.0 1.8 3.58 1229 967 A 57 MET HE% A 72 GLY HAx 1.0 1.8 3.85 1230 967 A 57 MET HE% A 72 GLY HAy 1.0 1.8 3.85 1231 968 A 70 PHE HE% A 59 GLY HAx 1.0 1.8 4.03 1232 968 A 70 PHE HE% A 59 GLY HAy 1.0 1.8 4.03 1233 969 A 60 LEU H A 60 LEU HBx 1.0 1.8 3.53 1234 969 A 60 LEU H A 60 LEU HBy 1.0 1.8 3.53 1235 970 A 60 LEU HA A 67 ARG HGy 1.0 1.8 4.88 1236 970 A 60 LEU HA A 67 ARG HGx 1.0 1.8 4.88 1237 971 A 60 LEU HD1% A 60 LEU HBx 1.0 1.8 3.62 1238 971 A 60 LEU HD1% A 60 LEU HBy 1.0 1.8 3.62 1239 972 A 61 ASN H A 60 LEU HBx 1.0 1.8 4.42 1240 972 A 61 ASN H A 60 LEU HBy 1.0 1.8 4.42 1241 973 A 60 LEU HD1% A 67 ARG HGy 1.0 1.8 3.60 1242 973 A 60 LEU HD1% A 67 ARG HGx 1.0 1.8 3.60 1243 974 A 61 ASN H A 61 ASN HBy 1.0 1.8 3.65 1244 974 A 61 ASN H A 61 ASN HBx 1.0 1.8 3.65 1245 975 A 64 THR H A 61 ASN HBy 1.0 1.8 4.77 1246 975 A 64 THR H A 61 ASN HBx 1.0 1.8 4.77 1247 976 A 64 THR HG1 A 61 ASN HBy 1.0 1.8 4.68 1248 976 A 64 THR HG1 A 61 ASN HBx 1.0 1.8 4.68 1249 977 A 65 ARG H A 61 ASN HBy 1.0 1.8 5.05 1250 977 A 65 ARG H A 61 ASN HBx 1.0 1.8 5.05 1251 978 A 66 GLN H A 61 ASN HBy 1.0 1.8 4.48 1252 978 A 66 GLN H A 61 ASN HBx 1.0 1.8 4.48 1253 979 A 63 ARG H A 63 ARG HBx 1.0 1.8 3.65 1254 979 A 63 ARG H A 63 ARG HBy 1.0 1.8 3.65 1255 980 A 64 THR H A 63 ARG HBx 1.0 1.8 3.93 1256 980 A 64 THR H A 63 ARG HBy 1.0 1.8 3.93 1257 981 A 64 THR HA A 63 ARG HBx 1.0 1.8 4.69 1258 981 A 64 THR HA A 63 ARG HBy 1.0 1.8 4.69 1259 982 A 64 THR HG2% A 63 ARG HBx 1.0 1.8 4.08 1260 982 A 64 THR HG2% A 63 ARG HBy 1.0 1.8 4.08 1261 983 A 64 THR HB A 66 GLN HGx 1.0 1.8 4.52 1262 983 A 64 THR HB A 66 GLN HGy 1.0 1.8 4.52 1263 984 A 65 ARG H A 65 ARG HGy 1.0 1.8 4.16 1264 984 A 65 ARG H A 65 ARG HGx 1.0 1.8 4.16 1265 985 A 65 ARG H A 65 ARG HDy 1.0 1.8 4.50 1266 985 A 65 ARG H A 65 ARG HDx 1.0 1.8 4.50 1267 986 A 65 ARG HA A 65 ARG HGy 1.0 1.8 4.07 1268 986 A 65 ARG HA A 65 ARG HGx 1.0 1.8 4.07 1269 987 A 65 ARG HA A 65 ARG HDy 1.0 1.8 4.63 1270 987 A 65 ARG HA A 65 ARG HDx 1.0 1.8 4.63 1271 988 A 66 GLN H A 66 GLN HGx 1.0 1.8 4.88 1272 988 A 66 GLN H A 66 GLN HGy 1.0 1.8 4.88 1273 989 A 66 GLN HA A 66 GLN HGx 1.0 1.8 3.99 1274 989 A 66 GLN HA A 66 GLN HGy 1.0 1.8 3.99 1275 990 A 67 ARG H A 66 GLN HGx 1.0 1.8 4.87 1276 990 A 67 ARG H A 66 GLN HGy 1.0 1.8 4.87 1277 991 A 67 ARG H A 67 ARG HBx 1.0 1.8 3.63 1278 991 A 67 ARG H A 67 ARG HBy 1.0 1.8 3.63 1279 992 A 67 ARG HBy A 67 ARG HDx 1.0 1.8 3.74 1280 992 A 67 ARG HBx A 67 ARG HDx 1.0 1.8 3.74 1281 992 A 67 ARG HDy A 67 ARG HBx 1.0 1.8 3.74 1282 992 A 67 ARG HDy A 67 ARG HBy 1.0 1.8 3.74 1283 993 A 68 GLY H A 67 ARG HBx 1.0 1.8 4.07 1284 993 A 68 GLY H A 67 ARG HBy 1.0 1.8 4.07 1285 994 A 68 GLY H A 67 ARG HGy 1.0 1.8 5.36 1286 994 A 68 GLY H A 67 ARG HGx 1.0 1.8 5.36 1287 995 A 69 ASP H A 69 ASP HBy 1.0 1.8 3.98 1288 995 A 69 ASP H A 69 ASP HBx 1.0 1.8 3.98 1289 996 A 70 PHE H A 69 ASP HBy 1.0 1.8 4.73 1290 996 A 70 PHE H A 69 ASP HBx 1.0 1.8 4.73 1291 997 A 70 PHE HA A 71 PRO HBx 1.0 1.8 5.75 1292 997 A 70 PHE HA A 71 PRO HBy 1.0 1.8 5.75 1293 998 A 70 PHE HA A 71 PRO HDx 1.0 1.8 3.67 1294 998 A 70 PHE HA A 71 PRO HDy 1.0 1.8 3.67 1295 999 A 70 PHE HBy A 71 PRO HDx 1.0 1.8 4.64 1296 999 A 70 PHE HBx A 71 PRO HDx 1.0 1.8 4.64 1297 999 A 71 PRO HDy A 70 PHE HBx 1.0 1.8 4.64 1298 999 A 70 PHE HBy A 71 PRO HDy 1.0 1.8 4.64 1299 1000 A 73 THR H A 71 PRO HBx 1.0 1.8 4.46 1300 1000 A 73 THR H A 71 PRO HBy 1.0 1.8 4.46 1301 1001 A 74 TYR H A 71 PRO HBx 1.0 1.8 4.84 1302 1001 A 74 TYR H A 71 PRO HBy 1.0 1.8 4.84 1303 1002 A 71 PRO HGx A 74 TYR HBx 1.0 1.8 4.73 1304 1002 A 74 TYR HBy A 71 PRO HGy 1.0 1.8 4.73 1305 1002 A 74 TYR HBy A 71 PRO HGx 1.0 1.8 4.73 1306 1002 A 71 PRO HGy A 74 TYR HBx 1.0 1.8 4.73 1307 1003 A 74 TYR HD% A 71 PRO HDx 1.0 1.8 4.73 1308 1003 A 74 TYR HD% A 71 PRO HDy 1.0 1.8 4.73 1309 1004 A 74 TYR H A 72 GLY HAx 1.0 1.8 5.39 1310 1004 A 74 TYR H A 72 GLY HAy 1.0 1.8 5.39 1311 1005 A 75 VAL HG2% A 72 GLY HAx 1.0 1.8 3.84 1312 1005 A 75 VAL HG2% A 72 GLY HAy 1.0 1.8 3.84 1313 1006 A 77 PHE H A 76 GLU HBy 1.0 1.8 3.85 1314 1006 A 77 PHE H A 76 GLU HBx 1.0 1.8 3.85 1315 1007 A 78 LEU HD2% A 76 GLU HBy 1.0 1.8 4.48 1316 1007 A 78 LEU HD2% A 76 GLU HBx 1.0 1.8 4.48 1317 1008 A 77 PHE H A 77 PHE HBx 1.0 1.8 3.50 1318 1008 A 77 PHE H A 77 PHE HBy 1.0 1.8 3.50 1319 1009 A 77 PHE HE% A 79 GLY HAx 1.0 1.8 4.71 1320 1009 A 77 PHE HE% A 79 GLY HAy 1.0 1.8 4.71 1321 1010 A 77 PHE HZ A 79 GLY HAx 1.0 1.8 4.32 1322 1010 A 77 PHE HZ A 79 GLY HAy 1.0 1.8 4.32 1323 1011 A 77 PHE HZ A 80 PRO HDx 1.0 1.8 4.57 1324 1011 A 77 PHE HZ A 80 PRO HDy 1.0 1.8 4.57 1325 1012 A 79 GLY H A 80 PRO HDx 1.0 1.8 5.33 1326 1012 A 79 GLY H A 80 PRO HDy 1.0 1.8 5.33 1327 1013 A 79 GLY HAx A 80 PRO HDx 1.0 1.8 3.21 1328 1013 A 79 GLY HAy A 80 PRO HDx 1.0 1.8 3.21 1329 1013 A 80 PRO HDy A 79 GLY HAx 1.0 1.8 3.21 1330 1013 A 79 GLY HAy A 80 PRO HDy 1.0 1.8 3.21 1331 1014 A 81 LEU H A 80 PRO HBx 1.0 1.8 4.13 1332 1014 A 81 LEU H A 80 PRO HBy 1.0 1.8 4.13 1333 1015 A 81 LEU H A 80 PRO HGy 1.0 1.8 4.81 1334 1015 A 81 LEU H A 80 PRO HGx 1.0 1.8 4.81 1335 1016 A 81 LEU H A 81 LEU HBx 1.0 1.8 3.64 1336 1016 A 81 LEU H A 81 LEU HBy 1.0 1.8 3.64 1337 1017 A 81 LEU HD1% A 81 LEU HBx 1.0 1.8 3.55 1338 1017 A 81 LEU HD1% A 81 LEU HBy 1.0 1.8 3.55 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 4 PRO C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -117.95 -57.95 PHI 2 2 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 GLY N 1.0 -47.83 12.17 PSI 3 3 A 6 GLY C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -166.09 -106.09 PHI 4 4 A 7 PHE N A 7 PHE CA A 7 PHE C A 8 GLN N 1.0 127.43 187.43 PSI 5 5 A 7 PHE C A 8 GLN N A 8 GLN CA A 8 GLN C 1.0 -153.36 -93.36 PHI 6 6 A 8 GLN N A 8 GLN CA A 8 GLN C A 9 TYR N 1.0 110.85 170.85 PSI 7 7 A 8 GLN C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -161.67 -101.67 PHI 8 8 A 9 TYR N A 9 TYR CA A 9 TYR C A 10 ARG N 1.0 114.53 174.53 PSI 9 9 A 9 TYR C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -158.61 -98.61 PHI 10 10 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 ALA N 1.0 112.38 172.38 PSI 11 11 A 10 ARG C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -103.40 -43.40 PHI 12 12 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 LEU N 1.0 105.86 165.86 PSI 13 13 A 11 ALA C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -120.00 -60.00 PHI 14 14 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 TYR N 1.0 -63.30 -3.30 PSI 15 15 A 14 PRO N A 14 PRO CA A 14 PRO C A 15 PHE N 1.0 119.97 179.97 PSI 16 16 A 14 PRO C A 15 PHE N A 15 PHE CA A 15 PHE C 1.0 -150.77 -90.77 PHI 17 17 A 15 PHE N A 15 PHE CA A 15 PHE C A 16 ARG N 1.0 111.86 171.86 PSI 18 18 A 15 PHE C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -134.76 -74.76 PHI 19 19 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 ARG N 1.0 99.42 159.42 PSI 20 20 A 20 PRO N A 20 PRO CA A 20 PRO C A 21 GLU N 1.0 -55.06 4.94 PSI 21 21 A 20 PRO C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -96.47 -36.47 PHI 22 22 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 ASP N 1.0 -53.31 6.69 PSI 23 23 A 22 ASP C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -160.80 -100.80 PHI 24 24 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 GLU N 1.0 120.20 180.20 PSI 25 25 A 23 LEU C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -116.11 -56.11 PHI 26 26 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 LEU N 1.0 106.10 166.10 PSI 27 27 A 24 GLU C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -148.67 -88.67 PHI 28 28 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 LEU N 1.0 119.26 179.26 PSI 29 29 A 25 LEU C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -145.10 -85.10 PHI 30 30 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 PRO N 1.0 95.15 155.15 PSI 31 31 A 27 PRO N A 27 PRO CA A 27 PRO C A 28 GLY N 1.0 106.43 166.43 PSI 32 32 A 28 GLY C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -105.85 -45.85 PHI 33 33 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 VAL N 1.0 112.24 172.24 PSI 34 34 A 29 ASP C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -135.20 -75.20 PHI 35 35 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 LEU N 1.0 93.76 153.76 PSI 36 36 A 30 VAL C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -136.10 -76.10 PHI 37 37 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 VAL N 1.0 104.39 164.39 PSI 38 38 A 31 LEU C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -154.07 -94.07 PHI 39 39 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 VAL N 1.0 96.81 156.81 PSI 40 40 A 32 VAL C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -148.37 -88.37 PHI 41 41 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 SER N 1.0 100.80 160.80 PSI 42 42 A 33 VAL C A 34 SER N A 34 SER CA A 34 SER C 1.0 -111.72 -51.72 PHI 43 43 A 34 SER N A 34 SER CA A 34 SER C A 35 ARG N 1.0 111.95 171.95 PSI 44 44 A 34 SER C A 35 ARG N A 35 ARG CA A 35 ARG C 1.0 -88.63 -28.63 PHI 45 45 A 35 ARG N A 35 ARG CA A 35 ARG C A 36 ALA N 1.0 -70.43 -10.43 PSI 46 46 A 35 ARG C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -92.07 -32.07 PHI 47 47 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 ALA N 1.0 -70.81 -10.81 PSI 48 48 A 36 ALA C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -96.92 -36.92 PHI 49 49 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 LEU N 1.0 -70.49 -10.49 PSI 50 50 A 37 ALA C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -94.01 -34.01 PHI 51 51 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 GLN N 1.0 -72.96 -12.96 PSI 52 52 A 38 LEU C A 39 GLN N A 39 GLN CA A 39 GLN C 1.0 -91.05 -31.05 PHI 53 53 A 39 GLN N A 39 GLN CA A 39 GLN C A 40 ALA N 1.0 -73.64 -13.64 PSI 54 54 A 39 GLN C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -94.96 -34.96 PHI 55 55 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 LEU N 1.0 -58.21 1.79 PSI 56 56 A 40 ALA C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -117.95 -57.95 PHI 57 57 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 GLY N 1.0 -28.23 31.77 PSI 58 58 A 42 GLY C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -104.75 -44.75 PHI 59 59 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 ALA N 1.0 101.09 161.09 PSI 60 60 A 43 VAL C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -127.83 -67.83 PHI 61 61 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 GLU N 1.0 89.41 149.41 PSI 62 62 A 44 ALA C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -93.56 -33.56 PHI 63 63 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 GLY N 1.0 99.03 159.03 PSI 64 64 A 47 GLY C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -94.53 -34.53 PHI 65 65 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 ARG N 1.0 -54.27 5.73 PSI 66 66 A 48 GLU C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -108.85 -48.85 PHI 67 67 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 CYS N 1.0 -51.57 8.43 PSI 68 68 A 51 PRO N A 51 PRO CA A 51 PRO C A 52 GLN N 1.0 -52.36 7.64 PSI 69 69 A 51 PRO C A 52 GLN N A 52 GLN CA A 52 GLN C 1.0 -99.57 -39.57 PHI 70 70 A 52 GLN N A 52 GLN CA A 52 GLN C A 53 SER N 1.0 -50.83 9.17 PSI 71 71 A 52 GLN C A 53 SER N A 53 SER CA A 53 SER C 1.0 -111.44 -51.44 PHI 72 72 A 53 SER N A 53 SER CA A 53 SER C A 54 VAL N 1.0 -48.56 11.44 PSI 73 73 A 53 SER C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -106.12 -46.12 PHI 74 74 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 GLY N 1.0 -58.16 1.84 PSI 75 75 A 55 GLY C A 56 TRP N A 56 TRP CA A 56 TRP C 1.0 -120.77 -60.77 PHI 76 76 A 56 TRP N A 56 TRP CA A 56 TRP C A 57 MET N 1.0 103.96 163.96 PSI 77 77 A 56 TRP C A 57 MET N A 57 MET CA A 57 MET C 1.0 -155.30 -95.30 PHI 78 78 A 57 MET N A 57 MET CA A 57 MET C A 58 PRO N 1.0 109.07 169.07 PSI 79 79 A 58 PRO N A 58 PRO CA A 58 PRO C A 59 GLY N 1.0 117.84 177.84 PSI 80 80 A 59 GLY C A 60 LEU N A 60 LEU CA A 60 LEU C 1.0 -157.79 -97.79 PHI 81 81 A 60 LEU N A 60 LEU CA A 60 LEU C A 61 ASN N 1.0 108.59 168.59 PSI 82 82 A 60 LEU C A 61 ASN N A 61 ASN CA A 61 ASN C 1.0 -124.35 -64.35 PHI 83 83 A 61 ASN N A 61 ASN CA A 61 ASN C A 62 GLU N 1.0 91.44 151.44 PSI 84 84 A 61 ASN C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -91.83 -31.83 PHI 85 85 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 ARG N 1.0 -59.97 0.03 PSI 86 86 A 62 GLU C A 63 ARG N A 63 ARG CA A 63 ARG C 1.0 -105.22 -45.22 PHI 87 87 A 63 ARG N A 63 ARG CA A 63 ARG C A 64 THR N 1.0 -67.60 -7.60 PSI 88 88 A 63 ARG C A 64 THR N A 64 THR CA A 64 THR C 1.0 -128.57 -68.57 PHI 89 89 A 64 THR N A 64 THR CA A 64 THR C A 65 ARG N 1.0 -32.44 27.56 PSI 90 90 A 64 THR C A 65 ARG N A 65 ARG CA A 65 ARG C 1.0 29.53 89.53 PHI 91 91 A 65 ARG N A 65 ARG CA A 65 ARG C A 66 GLN N 1.0 5.09 65.09 PSI 92 92 A 65 ARG C A 66 GLN N A 66 GLN CA A 66 GLN C 1.0 -131.01 -71.01 PHI 93 93 A 66 GLN N A 66 GLN CA A 66 GLN C A 67 ARG N 1.0 120.14 180.14 PSI 94 94 A 66 GLN C A 67 ARG N A 67 ARG CA A 67 ARG C 1.0 -152.51 -92.51 PHI 95 95 A 67 ARG N A 67 ARG CA A 67 ARG C A 68 GLY N 1.0 121.71 181.71 PSI 96 96 A 68 GLY C A 69 ASP N A 69 ASP CA A 69 ASP C 1.0 -149.34 -89.34 PHI 97 97 A 69 ASP N A 69 ASP CA A 69 ASP C A 70 PHE N 1.0 108.83 168.83 PSI 98 98 A 72 GLY C A 73 THR N A 73 THR CA A 73 THR C 1.0 -112.65 -52.65 PHI 99 99 A 73 THR N A 73 THR CA A 73 THR C A 74 TYR N 1.0 -47.52 12.48 PSI 100 100 A 74 TYR C A 75 VAL N A 75 VAL CA A 75 VAL C 1.0 -160.77 -100.77 PHI 101 101 A 75 VAL N A 75 VAL CA A 75 VAL C A 76 GLU N 1.0 134.01 194.01 PSI 102 102 A 76 GLU C A 77 PHE N A 77 PHE CA A 77 PHE C 1.0 -110.53 -50.53 PHI 103 103 A 77 PHE N A 77 PHE CA A 77 PHE C A 78 LEU N 1.0 91.85 151.85 PSI 104 104 A 77 PHE C A 78 LEU N A 78 LEU CA A 78 LEU C 1.0 -127.30 -67.30 PHI 105 105 A 78 LEU N A 78 LEU CA A 78 LEU C A 79 GLY N 1.0 -67.24 -7.24 PSI 106 106 A 80 PRO N A 80 PRO CA A 80 PRO C A 81 LEU N 1.0 123.52 183.52 PSI 107 107 A 80 PRO C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -126.10 -66.10 PHI 108 108 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 GLU N 1.0 100.26 160.26 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 11160.71 2 15N 2189.488 3 1H 8802.13 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 11160.71 2 13C 4829.178 3 1H 8802.13 stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 11160.71 2 13C 6036.993 3 1H 8802.13 stop_ save_