data_nef_c17402_2l8d 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 GLY start . false 2 A 2 ALA middle . . 3 A 3 MET middle . . 4 A 4 GLY middle . false 5 A 5 MET middle . . 6 A 6 PRO middle . false 7 A 7 ASN middle . . 8 A 8 ARG middle . . 9 A 9 LYS middle . . 10 A 10 TYR middle . . 11 A 11 ALA middle . . 12 A 12 ASP middle . . 13 A 13 GLY middle . false 14 A 14 GLU middle . . 15 A 15 VAL middle . . 16 A 16 VAL middle . . 17 A 17 MET middle . . 18 A 18 GLY middle . false 19 A 19 ARG middle . . 20 A 20 TRP middle . . 21 A 21 PRO middle . false 22 A 22 GLY middle . false 23 A 23 SER middle . . 24 A 24 VAL middle . . 25 A 25 LEU middle . . 26 A 26 TYR middle . . 27 A 27 TYR middle . . 28 A 28 GLU middle . . 29 A 29 VAL middle . . 30 A 30 GLN middle . . 31 A 31 VAL middle . . 32 A 32 THR middle . . 33 A 33 SER middle . . 34 A 34 TYR middle . . 35 A 35 ASP middle . . 36 A 36 ASP middle . . 37 A 37 ALA middle . . 38 A 38 SER middle . . 39 A 39 HIS middle . . 40 A 40 LEU middle . . 41 A 41 TYR middle . . 42 A 42 THR middle . . 43 A 43 VAL middle . . 44 A 44 LYS middle . . 45 A 45 TYR middle . . 46 A 46 LYS middle . . 47 A 47 ASP middle . . 48 A 48 GLY middle . false 49 A 49 THR middle . . 50 A 50 GLU middle . . 51 A 51 LEU middle . . 52 A 52 ALA middle . . 53 A 53 LEU middle . . 54 A 54 LYS middle . . 55 A 55 GLU middle . . 56 A 56 SER middle . . 57 A 57 ASP middle . . 58 A 58 ILE middle . . 59 A 59 ARG middle . . 60 A 60 LEU middle . . 61 A 61 GLN middle . . 62 A 62 SER middle . . 63 A 63 SER middle . . 64 A 64 PHE middle . . 65 A 65 LYS middle . . 66 A 66 GLN end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY HAy H 1 3.780 0.020 A 1 GLY HAx H 1 3.744 0.020 A 1 GLY CA C 13 43.291 0.400 A 2 ALA HA H 1 4.309 0.020 A 2 ALA HB% H 1 1.345 0.020 A 2 ALA CA C 13 52.436 0.400 A 2 ALA CB C 13 19.305 0.400 A 3 MET H H 1 8.503 0.020 A 3 MET HA H 1 4.408 0.020 A 3 MET HBy H 1 2.064 0.020 A 3 MET HBx H 1 1.984 0.020 A 3 MET HGx H 1 2.505 0.020 A 3 MET HGy H 1 2.576 0.020 A 3 MET CA C 13 55.530 0.400 A 3 MET CB C 13 32.627 0.400 A 3 MET CG C 13 32.016 0.400 A 3 MET N N 15 119.945 0.400 A 4 GLY H H 1 8.410 0.020 A 4 GLY HAy H 1 3.894 0.020 A 4 GLY HAx H 1 3.850 0.020 A 4 GLY CA C 13 45.076 0.400 A 4 GLY N N 15 110.237 0.400 A 5 MET H H 1 8.148 0.020 A 5 MET HA H 1 4.760 0.020 A 5 MET HBy H 1 2.030 0.020 A 5 MET HBx H 1 1.914 0.020 A 5 MET HGx H 1 2.482 0.020 A 5 MET HGy H 1 2.607 0.020 A 5 MET CA C 13 53.156 0.400 A 5 MET CB C 13 32.418 0.400 A 5 MET CG C 13 32.060 0.400 A 5 MET N N 15 120.938 0.400 A 6 PRO HA H 1 4.361 0.020 A 6 PRO HBy H 1 2.225 0.020 A 6 PRO HBx H 1 1.794 0.020 A 6 PRO HDy H 1 3.763 0.020 A 6 PRO HDx H 1 3.607 0.020 A 6 PRO HGy H 1 1.958 0.020 A 6 PRO HGx H 1 1.929 0.020 A 6 PRO CA C 13 63.181 0.400 A 6 PRO CB C 13 32.071 0.400 A 6 PRO CD C 13 50.641 0.400 A 6 PRO CG C 13 27.340 0.400 A 7 ASN H H 1 8.487 0.020 A 7 ASN HA H 1 4.567 0.020 A 7 ASN HBy H 1 2.700 0.020 A 7 ASN HBx H 1 2.678 0.020 A 7 ASN HD2y H 1 7.597 0.020 A 7 ASN HD2x H 1 6.894 0.020 A 7 ASN CA C 13 53.038 0.400 A 7 ASN CB C 13 38.940 0.400 A 7 ASN N N 15 119.040 0.400 A 7 ASN ND2 N 15 113.191 0.400 A 8 ARG H H 1 7.893 0.020 A 8 ARG HA H 1 3.923 0.020 A 8 ARG HBy H 1 1.396 0.020 A 8 ARG HBx H 1 1.191 0.020 A 8 ARG HDy H 1 2.835 0.020 A 8 ARG HDx H 1 2.802 0.020 A 8 ARG HE H 1 6.592 0.020 A 8 ARG HGy H 1 1.139 0.020 A 8 ARG HGx H 1 1.116 0.020 A 8 ARG CA C 13 55.498 0.400 A 8 ARG CB C 13 30.539 0.400 A 8 ARG CD C 13 43.865 0.400 A 8 ARG CG C 13 25.418 0.400 A 8 ARG N N 15 119.580 0.400 A 8 ARG NE N 15 112.736 0.400 A 9 LYS H H 1 7.828 0.020 A 9 LYS HA H 1 3.773 0.020 A 9 LYS HBx H 1 0.852 0.020 A 9 LYS HBy H 1 1.088 0.020 A 9 LYS HDx H 1 1.312 0.020 A 9 LYS HDy H 1 1.347 0.020 A 9 LYS HEx H 1 2.818 0.020 A 9 LYS HEy H 1 2.893 0.020 A 9 LYS HGx H 1 0.593 0.020 A 9 LYS HGy H 1 0.975 0.020 A 9 LYS CA C 13 58.078 0.400 A 9 LYS CB C 13 33.917 0.400 A 9 LYS CD C 13 29.073 0.400 A 9 LYS CE C 13 41.779 0.400 A 9 LYS CG C 13 25.032 0.400 A 9 LYS N N 15 123.186 0.400 A 10 TYR H H 1 7.094 0.020 A 10 TYR HA H 1 4.888 0.020 A 10 TYR HBx H 1 2.367 0.020 A 10 TYR HBy H 1 2.642 0.020 A 10 TYR HD1 H 1 6.597 0.020 A 10 TYR HD2 H 1 6.597 0.020 A 10 TYR HE1 H 1 6.498 0.020 A 10 TYR HE2 H 1 6.498 0.020 A 10 TYR CA C 13 55.907 0.400 A 10 TYR CB C 13 40.021 0.400 A 10 TYR CD1 C 13 133.017 0.400 A 10 TYR CD2 C 13 133.017 0.400 A 10 TYR CE1 C 13 118.127 0.400 A 10 TYR CE2 C 13 118.127 0.400 A 10 TYR N N 15 115.178 0.400 A 11 ALA H H 1 9.369 0.020 A 11 ALA HA H 1 4.217 0.020 A 11 ALA HB% H 1 1.383 0.020 A 11 ALA CA C 13 51.315 0.400 A 11 ALA CB C 13 20.650 0.400 A 11 ALA N N 15 129.390 0.400 A 12 ASP H H 1 8.497 0.020 A 12 ASP HA H 1 4.004 0.020 A 12 ASP HBy H 1 2.529 0.020 A 12 ASP HBx H 1 2.495 0.020 A 12 ASP CA C 13 56.225 0.400 A 12 ASP CB C 13 39.143 0.400 A 12 ASP N N 15 120.801 0.400 A 13 GLY H H 1 9.156 0.020 A 13 GLY HAy H 1 4.309 0.020 A 13 GLY HAx H 1 3.613 0.020 A 13 GLY CA C 13 44.933 0.400 A 13 GLY N N 15 113.163 0.400 A 14 GLU H H 1 7.984 0.020 A 14 GLU HA H 1 4.081 0.020 A 14 GLU HBy H 1 2.078 0.020 A 14 GLU HBx H 1 2.025 0.020 A 14 GLU HGy H 1 2.354 0.020 A 14 GLU HGx H 1 2.196 0.020 A 14 GLU CA C 13 58.234 0.400 A 14 GLU CB C 13 31.216 0.400 A 14 GLU CG C 13 37.327 0.400 A 14 GLU N N 15 123.232 0.400 A 15 VAL H H 1 8.452 0.020 A 15 VAL HA H 1 4.646 0.020 A 15 VAL HB H 1 1.927 0.020 A 15 VAL HGx% H 1 0.957 0.020 A 15 VAL HGy% H 1 0.860 0.020 A 15 VAL CA C 13 62.888 0.400 A 15 VAL CB C 13 31.498 0.400 A 15 VAL CG1 C 13 21.504 0.400 A 15 VAL CG2 C 13 21.590 0.400 A 15 VAL N N 15 126.169 0.400 A 16 VAL H H 1 8.897 0.020 A 16 VAL HA H 1 4.634 0.020 A 16 VAL HB H 1 1.844 0.020 A 16 VAL HGx% H 1 0.380 0.020 A 16 VAL HGy% H 1 0.173 0.020 A 16 VAL CA C 13 58.761 0.400 A 16 VAL CB C 13 35.135 0.400 A 16 VAL CG1 C 13 21.815 0.400 A 16 VAL CG2 C 13 18.786 0.400 A 16 VAL N N 15 121.876 0.400 A 17 MET H H 1 8.481 0.020 A 17 MET HA H 1 5.481 0.020 A 17 MET HBx H 1 1.573 0.020 A 17 MET HBy H 1 1.849 0.020 A 17 MET HE% H 1 1.670 0.020 A 17 MET HGy H 1 2.296 0.020 A 17 MET HGx H 1 2.146 0.020 A 17 MET CA C 13 52.231 0.400 A 17 MET CB C 13 32.322 0.400 A 17 MET CE C 13 16.469 0.400 A 17 MET CG C 13 31.800 0.400 A 17 MET N N 15 115.176 0.400 A 18 GLY H H 1 9.720 0.020 A 18 GLY HAx H 1 3.015 0.020 A 18 GLY HAy H 1 5.178 0.020 A 18 GLY CA C 13 43.778 0.400 A 18 GLY N N 15 109.784 0.400 A 19 ARG H H 1 8.470 0.020 A 19 ARG HA H 1 3.887 0.020 A 19 ARG HBy H 1 1.370 0.020 A 19 ARG HBx H 1 0.841 0.020 A 19 ARG HDx H 1 2.753 0.020 A 19 ARG HDy H 1 3.171 0.020 A 19 ARG HE H 1 7.143 0.020 A 19 ARG HGx H 1 0.710 0.020 A 19 ARG HGy H 1 1.186 0.020 A 19 ARG CA C 13 55.411 0.400 A 19 ARG CB C 13 30.897 0.400 A 19 ARG CD C 13 43.633 0.400 A 19 ARG CG C 13 26.703 0.400 A 19 ARG N N 15 127.096 0.400 A 19 ARG NE N 15 112.238 0.400 A 20 TRP H H 1 8.353 0.020 A 20 TRP HA H 1 4.474 0.020 A 20 TRP HBy H 1 3.110 0.020 A 20 TRP HBx H 1 2.946 0.020 A 20 TRP HD1 H 1 7.137 0.020 A 20 TRP HE1 H 1 9.834 0.020 A 20 TRP HE3 H 1 6.783 0.020 A 20 TRP HH2 H 1 6.639 0.020 A 20 TRP HZ2 H 1 7.112 0.020 A 20 TRP HZ3 H 1 5.942 0.020 A 20 TRP CA C 13 55.042 0.400 A 20 TRP CB C 13 29.241 0.400 A 20 TRP CD1 C 13 126.876 0.400 A 20 TRP CE3 C 13 120.629 0.400 A 20 TRP CH2 C 13 123.793 0.400 A 20 TRP CZ2 C 13 114.176 0.400 A 20 TRP CZ3 C 13 120.492 0.400 A 20 TRP N N 15 130.507 0.400 A 20 TRP NE1 N 15 128.506 0.400 A 21 PRO HA H 1 4.147 0.020 A 21 PRO HBy H 1 2.114 0.020 A 21 PRO HBx H 1 1.671 0.020 A 21 PRO HDy H 1 3.368 0.020 A 21 PRO HDx H 1 2.354 0.020 A 21 PRO HGx H 1 1.689 0.020 A 21 PRO HGy H 1 1.692 0.020 A 21 PRO CA C 13 64.054 0.400 A 21 PRO CB C 13 31.565 0.400 A 21 PRO CD C 13 50.831 0.400 A 21 PRO CG C 13 27.307 0.400 A 22 GLY H H 1 8.689 0.020 A 22 GLY HAx H 1 3.695 0.020 A 22 GLY HAy H 1 4.097 0.020 A 22 GLY CA C 13 45.364 0.400 A 22 GLY N N 15 111.624 0.400 A 23 SER H H 1 8.252 0.020 A 23 SER HA H 1 4.954 0.020 A 23 SER HBy H 1 3.944 0.020 A 23 SER HBx H 1 3.844 0.020 A 23 SER CA C 13 56.308 0.400 A 23 SER CB C 13 66.534 0.400 A 23 SER N N 15 116.177 0.400 A 24 VAL H H 1 8.043 0.020 A 24 VAL HA H 1 4.381 0.020 A 24 VAL HB H 1 2.448 0.020 A 24 VAL HGx% H 1 0.934 0.020 A 24 VAL HGy% H 1 0.846 0.020 A 24 VAL CA C 13 61.130 0.400 A 24 VAL CB C 13 31.323 0.400 A 24 VAL CG1 C 13 21.423 0.400 A 24 VAL CG2 C 13 18.378 0.400 A 24 VAL N N 15 113.656 0.400 A 25 LEU H H 1 8.289 0.020 A 25 LEU HA H 1 4.398 0.020 A 25 LEU HBy H 1 1.682 0.020 A 25 LEU HBx H 1 1.156 0.020 A 25 LEU HDx% H 1 0.783 0.020 A 25 LEU HDy% H 1 0.858 0.020 A 25 LEU HG H 1 1.540 0.020 A 25 LEU CA C 13 54.432 0.400 A 25 LEU CB C 13 43.558 0.400 A 25 LEU CD1 C 13 22.765 0.400 A 25 LEU CD2 C 13 25.253 0.400 A 25 LEU CG C 13 27.080 0.400 A 25 LEU N N 15 123.116 0.400 A 26 TYR H H 1 8.121 0.020 A 26 TYR HA H 1 4.955 0.020 A 26 TYR HBx H 1 2.341 0.020 A 26 TYR HBy H 1 2.679 0.020 A 26 TYR HD1 H 1 6.814 0.020 A 26 TYR HD2 H 1 6.814 0.020 A 26 TYR HE1 H 1 6.603 0.020 A 26 TYR HE2 H 1 6.603 0.020 A 26 TYR CA C 13 56.847 0.400 A 26 TYR CB C 13 41.345 0.400 A 26 TYR CD1 C 13 133.507 0.400 A 26 TYR CD2 C 13 133.507 0.400 A 26 TYR CE1 C 13 119.026 0.400 A 26 TYR CE2 C 13 119.026 0.400 A 26 TYR N N 15 117.878 0.400 A 27 TYR H H 1 8.998 0.020 A 27 TYR HA H 1 4.667 0.020 A 27 TYR HBx H 1 2.549 0.020 A 27 TYR HBy H 1 3.064 0.020 A 27 TYR HD1 H 1 6.856 0.020 A 27 TYR HD2 H 1 6.856 0.020 A 27 TYR HE1 H 1 6.336 0.020 A 27 TYR HE2 H 1 6.336 0.020 A 27 TYR CA C 13 56.097 0.400 A 27 TYR CB C 13 42.374 0.400 A 27 TYR CD1 C 13 132.870 0.400 A 27 TYR CD2 C 13 132.870 0.400 A 27 TYR CE1 C 13 117.666 0.400 A 27 TYR CE2 C 13 117.666 0.400 A 27 TYR N N 15 119.634 0.400 A 28 GLU H H 1 8.912 0.020 A 28 GLU HA H 1 4.888 0.020 A 28 GLU HBy H 1 2.029 0.020 A 28 GLU HBx H 1 1.866 0.020 A 28 GLU HGy H 1 2.141 0.020 A 28 GLU HGx H 1 2.025 0.020 A 28 GLU CA C 13 57.746 0.400 A 28 GLU CB C 13 30.451 0.400 A 28 GLU CG C 13 37.888 0.400 A 28 GLU N N 15 124.131 0.400 A 29 VAL H H 1 9.227 0.020 A 29 VAL HA H 1 4.922 0.020 A 29 VAL HB H 1 1.715 0.020 A 29 VAL HGx% H 1 0.707 0.020 A 29 VAL HGy% H 1 0.487 0.020 A 29 VAL CA C 13 58.841 0.400 A 29 VAL CB C 13 37.332 0.400 A 29 VAL CG1 C 13 22.141 0.400 A 29 VAL CG2 C 13 17.925 0.400 A 29 VAL N N 15 120.277 0.400 A 30 GLN H H 1 8.292 0.020 A 30 GLN HA H 1 5.210 0.020 A 30 GLN HBx H 1 1.826 0.020 A 30 GLN HBy H 1 1.857 0.020 A 30 GLN HE2y H 1 7.520 0.020 A 30 GLN HE2x H 1 6.817 0.020 A 30 GLN HGy H 1 2.018 0.020 A 30 GLN HGx H 1 2.004 0.020 A 30 GLN CA C 13 53.327 0.400 A 30 GLN CB C 13 32.061 0.400 A 30 GLN CG C 13 33.833 0.400 A 30 GLN N N 15 118.836 0.400 A 30 GLN NE2 N 15 111.872 0.400 A 31 VAL H H 1 9.012 0.020 A 31 VAL HA H 1 4.044 0.020 A 31 VAL HB H 1 2.498 0.020 A 31 VAL HGx% H 1 0.762 0.020 A 31 VAL HGy% H 1 1.045 0.020 A 31 VAL CA C 13 64.347 0.400 A 31 VAL CB C 13 32.055 0.400 A 31 VAL CG1 C 13 21.969 0.400 A 31 VAL CG2 C 13 23.129 0.400 A 31 VAL N N 15 127.137 0.400 A 32 THR H H 1 9.737 0.020 A 32 THR HA H 1 4.596 0.020 A 32 THR HB H 1 4.124 0.020 A 32 THR HG2% H 1 1.096 0.020 A 32 THR CA C 13 62.394 0.400 A 32 THR CB C 13 69.498 0.400 A 32 THR CG2 C 13 22.335 0.400 A 32 THR N N 15 122.610 0.400 A 33 SER H H 1 7.925 0.020 A 33 SER HA H 1 4.903 0.020 A 33 SER HBy H 1 3.906 0.020 A 33 SER HBx H 1 3.887 0.020 A 33 SER CA C 13 58.835 0.400 A 33 SER CB C 13 64.314 0.400 A 33 SER N N 15 113.908 0.400 A 34 TYR H H 1 8.474 0.020 A 34 TYR HA H 1 4.740 0.020 A 34 TYR HBx H 1 2.462 0.020 A 34 TYR HBy H 1 2.706 0.020 A 34 TYR HD1 H 1 5.826 0.020 A 34 TYR HD2 H 1 5.826 0.020 A 34 TYR HE1 H 1 6.336 0.020 A 34 TYR HE2 H 1 6.336 0.020 A 34 TYR CA C 13 57.221 0.400 A 34 TYR CB C 13 41.115 0.400 A 34 TYR CD1 C 13 132.801 0.400 A 34 TYR CD2 C 13 132.801 0.400 A 34 TYR CE1 C 13 117.666 0.400 A 34 TYR CE2 C 13 117.666 0.400 A 34 TYR N N 15 119.862 0.400 A 35 ASP H H 1 7.300 0.020 A 35 ASP HA H 1 4.585 0.020 A 35 ASP HBx H 1 2.264 0.020 A 35 ASP HBy H 1 2.676 0.020 A 35 ASP CA C 13 51.991 0.400 A 35 ASP CB C 13 42.576 0.400 A 35 ASP N N 15 127.894 0.400 A 36 ASP H H 1 8.376 0.020 A 36 ASP HA H 1 3.928 0.020 A 36 ASP HBy H 1 2.603 0.020 A 36 ASP HBx H 1 2.517 0.020 A 36 ASP CA C 13 55.880 0.400 A 36 ASP CB C 13 41.537 0.400 A 36 ASP N N 15 124.373 0.400 A 37 ALA H H 1 8.098 0.020 A 37 ALA HA H 1 4.107 0.020 A 37 ALA HB% H 1 1.338 0.020 A 37 ALA CA C 13 53.958 0.400 A 37 ALA CB C 13 18.600 0.400 A 37 ALA N N 15 119.736 0.400 A 38 SER H H 1 7.463 0.020 A 38 SER HA H 1 4.166 0.020 A 38 SER HBy H 1 3.733 0.020 A 38 SER HBx H 1 3.604 0.020 A 38 SER CA C 13 57.858 0.400 A 38 SER CB C 13 64.382 0.400 A 38 SER N N 15 110.678 0.400 A 39 HIS H H 1 7.879 0.020 A 39 HIS HA H 1 3.942 0.020 A 39 HIS HBy H 1 3.552 0.020 A 39 HIS HBx H 1 3.449 0.020 A 39 HIS HD2 H 1 7.051 0.020 A 39 HIS HE1 H 1 8.292 0.020 A 39 HIS CA C 13 56.378 0.400 A 39 HIS CB C 13 26.349 0.400 A 39 HIS CD2 C 13 119.419 0.400 A 39 HIS CE1 C 13 136.373 0.400 A 39 HIS N N 15 116.707 0.400 A 40 LEU H H 1 7.014 0.020 A 40 LEU HA H 1 4.870 0.020 A 40 LEU HBy H 1 1.489 0.020 A 40 LEU HBx H 1 1.006 0.020 A 40 LEU HDx% H 1 0.708 0.020 A 40 LEU HDy% H 1 0.728 0.020 A 40 LEU HG H 1 1.416 0.020 A 40 LEU CA C 13 53.578 0.400 A 40 LEU CB C 13 44.376 0.400 A 40 LEU CD1 C 13 23.748 0.400 A 40 LEU CD2 C 13 25.061 0.400 A 40 LEU CG C 13 25.994 0.400 A 40 LEU N N 15 116.339 0.400 A 41 TYR H H 1 9.664 0.020 A 41 TYR HA H 1 5.031 0.020 A 41 TYR HBx H 1 2.757 0.020 A 41 TYR HBy H 1 2.945 0.020 A 41 TYR HD1 H 1 7.278 0.020 A 41 TYR HD2 H 1 7.278 0.020 A 41 TYR HE1 H 1 7.036 0.020 A 41 TYR HE2 H 1 7.036 0.020 A 41 TYR CA C 13 58.234 0.400 A 41 TYR CB C 13 40.103 0.400 A 41 TYR CD1 C 13 133.900 0.400 A 41 TYR CD2 C 13 133.900 0.400 A 41 TYR CE1 C 13 118.278 0.400 A 41 TYR CE2 C 13 118.278 0.400 A 41 TYR N N 15 123.951 0.400 A 42 THR H H 1 8.939 0.020 A 42 THR HA H 1 5.044 0.020 A 42 THR HB H 1 3.988 0.020 A 42 THR HG2% H 1 1.029 0.020 A 42 THR CA C 13 62.960 0.400 A 42 THR CB C 13 68.892 0.400 A 42 THR CG2 C 13 21.289 0.400 A 42 THR N N 15 119.255 0.400 A 43 VAL H H 1 9.135 0.020 A 43 VAL HA H 1 5.462 0.020 A 43 VAL HB H 1 1.707 0.020 A 43 VAL HGx% H 1 0.681 0.020 A 43 VAL HGy% H 1 0.677 0.020 A 43 VAL CA C 13 57.563 0.400 A 43 VAL CB C 13 34.656 0.400 A 43 VAL CG1 C 13 21.021 0.400 A 43 VAL CG2 C 13 19.332 0.400 A 43 VAL N N 15 119.617 0.400 A 44 LYS H H 1 9.015 0.020 A 44 LYS HA H 1 5.387 0.020 A 44 LYS HBx H 1 1.653 0.020 A 44 LYS HBy H 1 1.738 0.020 A 44 LYS HDy H 1 1.648 0.020 A 44 LYS HDx H 1 1.614 0.020 A 44 LYS HEx H 1 2.869 0.020 A 44 LYS HEy H 1 2.933 0.020 A 44 LYS HGx H 1 1.296 0.020 A 44 LYS HGy H 1 1.491 0.020 A 44 LYS CA C 13 54.440 0.400 A 44 LYS CB C 13 36.479 0.400 A 44 LYS CD C 13 29.515 0.400 A 44 LYS CE C 13 41.912 0.400 A 44 LYS CG C 13 24.659 0.400 A 44 LYS N N 15 120.541 0.400 A 45 TYR H H 1 9.261 0.020 A 45 TYR HA H 1 5.002 0.020 A 45 TYR HBx H 1 3.103 0.020 A 45 TYR HBy H 1 3.154 0.020 A 45 TYR HD1 H 1 7.594 0.020 A 45 TYR HD2 H 1 7.594 0.020 A 45 TYR HE1 H 1 6.824 0.020 A 45 TYR HE2 H 1 6.824 0.020 A 45 TYR CA C 13 56.446 0.400 A 45 TYR CB C 13 40.363 0.400 A 45 TYR CD1 C 13 133.412 0.400 A 45 TYR CD2 C 13 133.412 0.400 A 45 TYR CE1 C 13 117.593 0.400 A 45 TYR CE2 C 13 117.593 0.400 A 45 TYR N N 15 127.642 0.400 A 46 LYS H H 1 7.451 0.020 A 46 LYS HA H 1 3.973 0.020 A 46 LYS HBy H 1 1.690 0.020 A 46 LYS HBx H 1 1.647 0.020 A 46 LYS HDx H 1 1.483 0.020 A 46 LYS HDy H 1 1.517 0.020 A 46 LYS HEy H 1 2.880 0.020 A 46 LYS HEx H 1 2.828 0.020 A 46 LYS HGx H 1 0.701 0.020 A 46 LYS HGy H 1 0.982 0.020 A 46 LYS CA C 13 58.834 0.400 A 46 LYS CB C 13 31.562 0.400 A 46 LYS CD C 13 29.058 0.400 A 46 LYS CE C 13 41.935 0.400 A 46 LYS CG C 13 23.287 0.400 A 46 LYS N N 15 123.683 0.400 A 47 ASP H H 1 7.071 0.020 A 47 ASP HA H 1 4.518 0.020 A 47 ASP HBx H 1 2.512 0.020 A 47 ASP HBy H 1 3.127 0.020 A 47 ASP CA C 13 53.356 0.400 A 47 ASP CB C 13 40.236 0.400 A 47 ASP N N 15 117.516 0.400 A 48 GLY H H 1 8.344 0.020 A 48 GLY HAy H 1 4.448 0.020 A 48 GLY HAx H 1 3.489 0.020 A 48 GLY CA C 13 44.804 0.400 A 48 GLY N N 15 108.759 0.400 A 49 THR H H 1 8.293 0.020 A 49 THR HA H 1 3.946 0.020 A 49 THR HB H 1 4.175 0.020 A 49 THR HG2% H 1 1.159 0.020 A 49 THR CA C 13 65.224 0.400 A 49 THR CB C 13 69.342 0.400 A 49 THR CG2 C 13 21.522 0.400 A 49 THR N N 15 119.066 0.400 A 50 GLU H H 1 8.520 0.020 A 50 GLU HA H 1 5.540 0.020 A 50 GLU HBx H 1 1.798 0.020 A 50 GLU HBy H 1 1.851 0.020 A 50 GLU HGy H 1 2.293 0.020 A 50 GLU HGx H 1 1.971 0.020 A 50 GLU CA C 13 54.502 0.400 A 50 GLU CB C 13 32.726 0.400 A 50 GLU CG C 13 37.458 0.400 A 50 GLU N N 15 125.669 0.400 A 51 LEU H H 1 8.589 0.020 A 51 LEU HA H 1 4.564 0.020 A 51 LEU HBx H 1 1.193 0.020 A 51 LEU HBy H 1 1.241 0.020 A 51 LEU HDx% H 1 0.176 0.020 A 51 LEU HDy% H 1 0.019 0.020 A 51 LEU HG H 1 1.052 0.020 A 51 LEU CA C 13 53.491 0.400 A 51 LEU CB C 13 45.642 0.400 A 51 LEU CD1 C 13 23.802 0.400 A 51 LEU CD2 C 13 24.717 0.400 A 51 LEU CG C 13 26.522 0.400 A 51 LEU N N 15 122.513 0.400 A 52 ALA H H 1 8.027 0.020 A 52 ALA HA H 1 5.561 0.020 A 52 ALA HB% H 1 1.205 0.020 A 52 ALA CA C 13 50.130 0.400 A 52 ALA CB C 13 19.947 0.400 A 52 ALA N N 15 123.854 0.400 A 53 LEU H H 1 9.268 0.020 A 53 LEU HA H 1 4.889 0.020 A 53 LEU HBy H 1 1.720 0.020 A 53 LEU HBx H 1 1.509 0.020 A 53 LEU HDx% H 1 0.894 0.020 A 53 LEU HDy% H 1 0.691 0.020 A 53 LEU HG H 1 1.465 0.020 A 53 LEU CA C 13 53.414 0.400 A 53 LEU CB C 13 46.542 0.400 A 53 LEU CD1 C 13 23.567 0.400 A 53 LEU CD2 C 13 26.806 0.400 A 53 LEU CG C 13 27.099 0.400 A 53 LEU N N 15 123.127 0.400 A 54 LYS H H 1 8.998 0.020 A 54 LYS HA H 1 4.797 0.020 A 54 LYS HBy H 1 2.112 0.020 A 54 LYS HBx H 1 1.857 0.020 A 54 LYS HDy H 1 1.795 0.020 A 54 LYS HDx H 1 1.722 0.020 A 54 LYS HEx H 1 3.004 0.020 A 54 LYS HEy H 1 3.028 0.020 A 54 LYS HGy H 1 1.621 0.020 A 54 LYS HGx H 1 1.582 0.020 A 54 LYS CA C 13 55.791 0.400 A 54 LYS CB C 13 33.993 0.400 A 54 LYS CD C 13 29.338 0.400 A 54 LYS CE C 13 41.553 0.400 A 54 LYS CG C 13 25.307 0.400 A 54 LYS N N 15 120.634 0.400 A 55 GLU H H 1 9.738 0.020 A 55 GLU HA H 1 4.036 0.020 A 55 GLU HBy H 1 2.621 0.020 A 55 GLU HBx H 1 2.432 0.020 A 55 GLU HGy H 1 2.542 0.020 A 55 GLU HGx H 1 2.451 0.020 A 55 GLU CA C 13 60.916 0.400 A 55 GLU CB C 13 30.920 0.400 A 55 GLU CG C 13 38.462 0.400 A 55 GLU N N 15 121.831 0.400 A 56 SER H H 1 7.933 0.020 A 56 SER HA H 1 4.367 0.020 A 56 SER HBy H 1 4.133 0.020 A 56 SER HBx H 1 3.898 0.020 A 56 SER CA C 13 59.717 0.400 A 56 SER CB C 13 62.428 0.400 A 56 SER N N 15 108.440 0.400 A 57 ASP H H 1 7.981 0.020 A 57 ASP HA H 1 5.007 0.020 A 57 ASP HBy H 1 3.190 0.020 A 57 ASP HBx H 1 2.916 0.020 A 57 ASP CA C 13 54.874 0.400 A 57 ASP CB C 13 43.134 0.400 A 57 ASP N N 15 122.975 0.400 A 58 ILE H H 1 7.509 0.020 A 58 ILE HA H 1 5.014 0.020 A 58 ILE HB H 1 1.427 0.020 A 58 ILE HD1% H 1 0.126 0.020 A 58 ILE HG1y H 1 1.526 0.020 A 58 ILE HG1x H 1 0.414 0.020 A 58 ILE HG2% H 1 -0.112 0.020 A 58 ILE CA C 13 60.201 0.400 A 58 ILE CB C 13 40.488 0.400 A 58 ILE CD1 C 13 13.778 0.400 A 58 ILE CG1 C 13 28.319 0.400 A 58 ILE CG2 C 13 17.586 0.400 A 58 ILE N N 15 119.469 0.400 A 59 ARG H H 1 9.165 0.020 A 59 ARG HA H 1 4.648 0.020 A 59 ARG HBx H 1 1.321 0.020 A 59 ARG HBy H 1 1.684 0.020 A 59 ARG HDx H 1 2.524 0.020 A 59 ARG HDy H 1 2.631 0.020 A 59 ARG HGx H 1 1.242 0.020 A 59 ARG HGy H 1 1.384 0.020 A 59 ARG CA C 13 53.757 0.400 A 59 ARG CB C 13 34.917 0.400 A 59 ARG CD C 13 43.181 0.400 A 59 ARG CG C 13 26.299 0.400 A 59 ARG N N 15 124.711 0.400 A 60 LEU H H 1 8.419 0.020 A 60 LEU HA H 1 4.480 0.020 A 60 LEU HBx H 1 1.642 0.020 A 60 LEU HBy H 1 1.674 0.020 A 60 LEU HDx% H 1 1.066 0.020 A 60 LEU HDy% H 1 1.000 0.020 A 60 LEU HG H 1 1.843 0.020 A 60 LEU CA C 13 54.536 0.400 A 60 LEU CB C 13 42.942 0.400 A 60 LEU CD1 C 13 23.756 0.400 A 60 LEU CD2 C 13 25.450 0.400 A 60 LEU CG C 13 27.236 0.400 A 60 LEU N N 15 119.433 0.400 A 61 GLN H H 1 9.216 0.020 A 61 GLN HA H 1 4.056 0.020 A 61 GLN HBy H 1 2.084 0.020 A 61 GLN HBx H 1 1.940 0.020 A 61 GLN HE2y H 1 7.262 0.020 A 61 GLN HE2x H 1 6.936 0.020 A 61 GLN HGx H 1 2.226 0.020 A 61 GLN HGy H 1 2.264 0.020 A 61 GLN CA C 13 58.401 0.400 A 61 GLN CB C 13 29.056 0.400 A 61 GLN CG C 13 34.292 0.400 A 61 GLN N N 15 122.835 0.400 A 61 GLN NE2 N 15 111.784 0.400 A 62 SER H H 1 8.345 0.020 A 62 SER HA H 1 4.269 0.020 A 62 SER HBx H 1 3.793 0.020 A 62 SER HBy H 1 3.895 0.020 A 62 SER CA C 13 58.915 0.400 A 62 SER CB C 13 63.052 0.400 A 62 SER N N 15 114.763 0.400 A 63 SER H H 1 7.897 0.020 A 63 SER HA H 1 4.345 0.020 A 63 SER HBx H 1 3.738 0.020 A 63 SER HBy H 1 3.811 0.020 A 63 SER CA C 13 58.842 0.400 A 63 SER CB C 13 63.764 0.400 A 63 SER N N 15 116.893 0.400 A 64 PHE H H 1 7.853 0.020 A 64 PHE HA H 1 4.469 0.020 A 64 PHE HBy H 1 3.059 0.020 A 64 PHE HBx H 1 2.921 0.020 A 64 PHE HD1 H 1 7.158 0.020 A 64 PHE HD2 H 1 7.158 0.020 A 64 PHE HE1 H 1 7.010 0.020 A 64 PHE HE2 H 1 7.010 0.020 A 64 PHE HZ H 1 6.685 0.020 A 64 PHE CA C 13 57.943 0.400 A 64 PHE CB C 13 39.489 0.400 A 64 PHE CD1 C 13 132.022 0.400 A 64 PHE CD2 C 13 132.022 0.400 A 64 PHE CE1 C 13 131.221 0.400 A 64 PHE CE2 C 13 131.221 0.400 A 64 PHE CZ C 13 129.209 0.400 A 64 PHE N N 15 121.919 0.400 A 65 LYS H H 1 7.960 0.020 A 65 LYS HA H 1 4.243 0.020 A 65 LYS HBx H 1 1.649 0.020 A 65 LYS HBy H 1 1.762 0.020 A 65 LYS HDy H 1 1.615 0.020 A 65 LYS HDx H 1 1.585 0.020 A 65 LYS HEy H 1 2.917 0.020 A 65 LYS HEx H 1 2.887 0.020 A 65 LYS HGx H 1 1.286 0.020 A 65 LYS HGy H 1 1.352 0.020 A 65 LYS CA C 13 56.006 0.400 A 65 LYS CB C 13 33.175 0.400 A 65 LYS CD C 13 28.905 0.400 A 65 LYS CE C 13 41.728 0.400 A 65 LYS CG C 13 24.467 0.400 A 65 LYS N N 15 123.475 0.400 A 66 GLN H H 1 7.941 0.020 A 66 GLN HA H 1 4.065 0.020 A 66 GLN HE2y H 1 7.490 0.020 A 66 GLN HE2x H 1 6.790 0.020 A 66 GLN CA C 13 57.342 0.400 A 66 GLN CB C 13 30.408 0.400 A 66 GLN N N 15 127.248 0.400 A 66 GLN NE2 N 15 112.399 0.400 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 41 TYR HD% A 58 ILE HD1% 1.0 . 3.87 2 2 A 58 ILE HD1% A 41 TYR HE% 1.0 . 4.51 3 3 A 58 ILE HD1% A 10 TYR HD% 1.0 . 4.25 4 4 A 58 ILE HD1% A 10 TYR HE% 1.0 . 4.32 5 5 A 58 ILE HD1% A 58 ILE HA 1.0 . 4.24 6 6 A 58 ILE HD1% A 41 TYR HBy 1.0 . 4.45 7 7 A 58 ILE HD1% A 58 ILE HG2% 1.0 . 3.55 8 8 A 58 ILE HD1% A 53 LEU HDy% 1.0 . 3.32 9 9 A 17 MET HE% A 26 TYR HBx 1.0 . 4.13 10 10 A 17 MET HE% A 28 GLU HA 1.0 . 3.91 11 11 A 17 MET HE% A 26 TYR HBy 1.0 . 4.13 12 12 A 17 MET HE% A 17 MET HA 1.0 . 4.25 13 13 A 17 MET HE% A 26 TYR HD% 1.0 . 5.38 14 14 A 17 MET HE% A 27 TYR HD% 1.0 . 5.50 15 15 A 58 ILE HG2% A 16 VAL HGx% 1.0 . 3.73 16 16 A 58 ILE HG2% A 53 LEU HDy% 1.0 . 4.32 17 17 A 58 ILE HG2% A 16 VAL HB 1.0 . 3.69 18 18 A 58 ILE HG2% A 16 VAL HA 1.0 . 4.68 19 19 A 58 ILE HG2% A 59 ARG HA 1.0 . 4.87 20 20 A 58 ILE HA A 58 ILE HG2% 1.0 . 3.80 21 21 A 10 TYR HE% A 58 ILE HG2% 1.0 . 3.95 22 22 A 10 TYR HD% A 58 ILE HG2% 1.0 . 4.32 23 23 A 58 ILE HD1% A 55 GLU HA 1.0 . 3.85 24 24 A 29 VAL HGy% A 43 VAL HGx% 1.0 . 3.57 25 25 A 29 VAL HGy% A 43 VAL HGy% 1.0 . 3.53 26 26 A 29 VAL HGy% A 43 VAL HB 1.0 . 3.81 27 27 A 29 VAL HGy% A 18 GLY HAx 1.0 . 4.24 28 28 A 28 GLU HA A 29 VAL HGy% 1.0 . 4.89 29 29 A 29 VAL HGy% A 18 GLY HAy 1.0 . 5.29 30 30 A 29 VAL HGy% A 30 GLN HA 1.0 . 5.48 31 31 A 17 MET HA A 29 VAL HGy% 1.0 . 4.33 32 32 A 29 VAL HGy% A 45 TYR HD% 1.0 . 5.38 33 33 A 24 VAL HA A 24 VAL HGy% 1.0 . 3.89 34 34 A 42 THR HA A 52 ALA HB% 1.0 . 4.09 35 35 A 43 VAL HGy% A 45 TYR HE% 1.0 . 4.39 36 36 A 43 VAL HGy% A 43 VAL HA 1.0 . 4.23 37 37 A 58 ILE HG2% A 16 VAL HGy% 1.0 . 3.50 38 38 A 29 VAL HGy% A 16 VAL HGy% 1.0 . 3.22 39 39 A 16 VAL HGy% A 31 VAL HGx% 1.0 . 3.32 40 40 A 16 VAL HGy% A 15 VAL HA 1.0 . 4.51 41 41 A 30 GLN HA A 16 VAL HGy% 1.0 . 4.98 42 42 A 17 MET HA A 16 VAL HGy% 1.0 . 4.86 43 43 A 16 VAL HGx% A 10 TYR HBx 1.0 . 5.06 44 44 A 16 VAL HGx% A 10 TYR HBy 1.0 . 5.06 45 45 A 16 VAL HGx% A 16 VAL HA 1.0 . 3.47 46 46 A 10 TYR HE% A 16 VAL HGx% 1.0 . 4.44 47 47 A 10 TYR HD% A 16 VAL HGx% 1.0 . 4.05 48 48 A 43 VAL HGx% A 31 VAL HA 1.0 . 3.33 49 49 A 43 VAL HGx% A 41 TYR HBx 1.0 . 4.42 50 50 A 29 VAL HA A 29 VAL HGx% 1.0 . 3.44 51 51 A 45 TYR HD% A 29 VAL HGx% 1.0 . 3.58 52 52 A 45 TYR HE% A 29 VAL HGx% 1.0 . 4.07 53 53 A 10 TYR HD% A 31 VAL HGx% 1.0 . 4.70 54 54 A 41 TYR HE% A 31 VAL HGx% 1.0 . 4.96 55 55 A 25 LEU HA A 25 LEU HDx% 1.0 . 3.23 56 56 A 12 ASP HA A 31 VAL HGy% 1.0 . 3.49 57 57 A 32 THR HA A 32 THR HG2% 1.0 . 3.38 58 58 A 20 TRP HH2 A 49 THR HG2% 1.0 . 4.17 59 59 A 45 TYR HE% A 49 THR HG2% 1.0 . 5.50 60 60 A 49 THR HG2% A 20 TRP HZ2 1.0 . 5.24 61 61 A 45 TYR HD% A 49 THR HG2% 1.0 . 4.68 62 62 A 49 THR HG2% A 20 TRP HZ3 1.0 . 5.01 63 63 A 41 TYR HD% A 31 VAL HGy% 1.0 . 3.69 64 64 A 41 TYR HE% A 31 VAL HGy% 1.0 . 4.42 65 65 A 20 TRP HZ2 A 51 LEU HDx% 1.0 . 5.50 66 66 A 45 TYR HE% A 51 LEU HDx% 1.0 . 5.50 67 67 A 20 TRP HH2 A 51 LEU HDx% 1.0 . 5.37 68 68 A 20 TRP HZ3 A 51 LEU HDx% 1.0 . 5.20 69 69 A 21 PRO HDy A 51 LEU HDx% 1.0 . 4.51 70 70 A 21 PRO HDx A 51 LEU HDx% 1.0 . 4.51 71 71 A 21 PRO HGx A 51 LEU HDx% 1.0 . 4.67 72 72 A 21 PRO HGy A 51 LEU HDx% 1.0 . 4.67 73 73 A 45 TYR HE% A 51 LEU HDy% 1.0 . 5.50 74 74 A 20 TRP HZ3 A 51 LEU HDy% 1.0 . 5.20 75 75 A 51 LEU HDy% A 21 PRO HDy 1.0 . 4.51 76 76 A 51 LEU HDy% A 21 PRO HDx 1.0 . 4.51 77 77 A 51 LEU HDy% A 21 PRO HGx 1.0 . 4.67 78 78 A 51 LEU HDy% A 21 PRO HGy 1.0 . 4.67 79 79 A 51 LEU HBx A 51 LEU HDy% 1.0 . 3.95 80 80 A 10 TYR HE% A 9 LYS HGy 1.0 . 5.27 81 81 A 41 TYR HE% A 8 ARG HGy 1.0 . 5.50 82 82 A 41 TYR HE% A 8 ARG HGx 1.0 . 5.50 83 83 A 34 TYR HD% A 8 ARG HGy 1.0 . 5.50 84 84 A 34 TYR HD% A 8 ARG HGx 1.0 . 5.50 85 85 A 53 LEU HDx% A 54 LYS HA 1.0 . 4.28 86 86 A 26 TYR HE% A 19 ARG HGx 1.0 . 4.91 87 87 A 58 ILE HA A 53 LEU HDx% 1.0 . 5.03 88 88 A 18 GLY HAx A 53 LEU HDx% 1.0 . 4.14 89 89 A 53 LEU HDy% A 53 LEU HBy 1.0 . 3.85 90 90 A 10 TYR HE% A 60 LEU HG 1.0 . 4.26 91 91 A 58 ILE HA A 58 ILE HG1y 1.0 . 4.09 92 92 A 10 TYR HE% A 9 LYS HDx 1.0 . 5.50 93 93 A 10 TYR HE% A 9 LYS HDy 1.0 . 5.50 94 94 A 10 TYR HD% A 9 LYS HDx 1.0 . 5.50 95 95 A 10 TYR HD% A 9 LYS HDy 1.0 . 5.50 96 96 A 9 LYS HA A 9 LYS HDx 1.0 . 5.44 97 97 A 9 LYS HA A 9 LYS HDy 1.0 . 5.44 98 98 A 27 TYR HE% A 20 TRP HBx 1.0 . 4.16 99 99 A 41 TYR HD% A 55 GLU HBy 1.0 . 5.03 100 100 A 16 VAL HGx% A 14 GLU HBx 1.0 . 4.08 101 101 A 11 ALA HB% A 14 GLU HBy 1.0 . 4.88 102 102 A 14 GLU HBx A 11 ALA HB% 1.0 . 5.33 103 103 A 10 TYR HE% A 9 LYS HBx 1.0 . 5.17 104 104 A 10 TYR HD% A 9 LYS HBx 1.0 . 4.94 105 105 A 10 TYR HE% A 9 LYS HBy 1.0 . 5.17 106 106 A 44 LYS HA A 50 GLU HGx 1.0 . 5.12 107 107 A 44 LYS HA A 50 GLU HGy 1.0 . 5.12 108 108 A 45 TYR HD% A 29 VAL HB 1.0 . 5.50 109 109 A 10 TYR HE% A 58 ILE HB 1.0 . 3.95 110 110 A 58 ILE HD1% A 58 ILE HB 1.0 . 3.72 111 111 A 20 TRP HH2 A 45 TYR HBx 1.0 . 5.50 112 112 A 20 TRP HH2 A 45 TYR HBy 1.0 . 5.50 113 113 A 20 TRP HZ3 A 45 TYR HBx 1.0 . 5.50 114 114 A 20 TRP HZ3 A 45 TYR HBy 1.0 . 5.50 115 115 A 41 TYR HE% A 10 TYR HBx 1.0 . 4.83 116 116 A 41 TYR HE% A 10 TYR HBy 1.0 . 4.83 117 117 A 45 TYR HE% A 27 TYR HBx 1.0 . 4.34 118 118 A 45 TYR HE% A 27 TYR HBy 1.0 . 4.34 119 119 A 45 TYR HD% A 27 TYR HBy 1.0 . 5.08 120 120 A 45 TYR HD% A 27 TYR HBx 1.0 . 5.08 121 121 A 26 TYR HD% A 18 GLY HAy 1.0 . 4.84 122 122 A 18 GLY HAy A 26 TYR HE% 1.0 . 5.25 123 123 A 26 TYR HE% A 19 ARG HDy 1.0 . 4.89 124 124 A 26 TYR HE% A 19 ARG HDx 1.0 . 4.89 125 125 A 34 TYR HD% A 8 ARG HDy 1.0 . 5.50 126 126 A 34 TYR HD% A 8 ARG HDx 1.0 . 5.50 127 127 A 45 TYR HE% A 51 LEU HBy 1.0 . 4.81 128 128 A 51 LEU HBy A 50 GLU HA 1.0 . 5.50 129 129 A 51 LEU HBy A 52 ALA HA 1.0 . 5.50 130 130 A 51 LEU HBx A 51 LEU HDx% 1.0 . 3.95 131 131 A 43 VAL HGy% A 51 LEU HBy 1.0 . 3.74 132 132 A 58 ILE HD1% A 53 LEU HBy 1.0 . 4.95 133 133 A 53 LEU HDy% A 53 LEU HBx 1.0 . 3.92 134 134 A 53 LEU HBy A 57 ASP HBx 1.0 . 4.75 135 135 A 42 THR HA A 52 ALA HA 1.0 . 3.42 136 136 A 20 TRP HE3 A 21 PRO HDx 1.0 . 5.50 137 137 A 20 TRP HD1 A 21 PRO HDx 1.0 . 5.37 138 138 A 20 TRP HE3 A 21 PRO HDy 1.0 . 5.50 139 139 A 20 TRP HD1 A 21 PRO HDy 1.0 . 5.37 140 140 A 28 GLU HA A 17 MET HA 1.0 . 3.81 141 141 A 53 LEU HDx% A 53 LEU HA 1.0 . 4.18 142 142 A 5 MET HA A 6 PRO HDx 1.0 . 3.61 143 143 A 5 MET HA A 6 PRO HDy 1.0 . 3.61 144 144 A 16 VAL HGx% A 60 LEU HA 1.0 . 5.25 145 145 A 19 ARG HA A 19 ARG HGx 1.0 . 4.14 146 146 A 19 ARG HA A 19 ARG HGy 1.0 . 4.14 147 147 A 60 LEU HG A 60 LEU HA 1.0 . 3.90 148 148 A 20 TRP HA A 21 PRO HDx 1.0 . 3.61 149 149 A 20 TRP HA A 21 PRO HDy 1.0 . 3.61 150 150 A 34 TYR HD% A 36 ASP HA 1.0 . 5.30 151 151 A 34 TYR HD% A 39 HIS HA 1.0 . 5.50 152 152 A 36 ASP HA A 34 TYR HE% 1.0 . 3.80 153 153 A 39 HIS HA A 34 TYR HE% 1.0 . 3.93 154 154 A 26 TYR HD% A 19 ARG HA 1.0 . 4.59 155 155 A 20 TRP HE3 A 20 TRP HA 1.0 . 4.38 156 156 A 45 TYR HD% A 45 TYR HA 1.0 . 3.49 157 157 A 26 TYR HD% A 26 TYR HA 1.0 . 4.20 158 158 A 27 TYR HD% A 27 TYR HA 1.0 . 4.33 159 159 A 43 VAL HGx% A 43 VAL HA 1.0 . 3.34 160 160 A 43 VAL HA A 31 VAL HA 1.0 . 3.53 161 161 A 41 TYR HD% A 41 TYR HA 1.0 . 4.19 162 162 A 45 TYR HD% A 29 VAL HA 1.0 . 5.19 163 163 A 64 PHE HA A 64 PHE HD% 1.0 . 4.22 164 164 A 58 ILE HA A 58 ILE HG1x 1.0 . 4.09 165 165 A 58 ILE HA A 26 TYR HE% 1.0 . 5.50 166 166 A 58 ILE HA A 18 GLY HAy 1.0 . 3.99 167 167 A 41 TYR HE% A 55 GLU HA 1.0 . 3.94 168 168 A 10 TYR HE% A 55 GLU HA 1.0 . 4.59 169 169 A 31 VAL HA A 31 VAL HGy% 1.0 . 3.67 170 170 A 45 TYR HD% A 49 THR HB 1.0 . 4.51 171 171 A 20 TRP HH2 A 49 THR HB 1.0 . 4.80 172 172 A 41 TYR HA A 34 TYR HA 1.0 . 3.53 173 173 A 9 LYS HA A 9 LYS HGx 1.0 . 4.19 174 174 A 15 VAL HA A 15 VAL HGx% 1.0 . 3.62 175 175 A 15 VAL HA A 15 VAL HGy% 1.0 . 3.81 176 176 A 49 THR HG2% A 49 THR HA 1.0 . 3.41 177 177 A 31 VAL HGx% A 31 VAL HA 1.0 . 3.59 178 178 A 24 VAL HA A 24 VAL HGx% 1.0 . 3.89 179 179 A 19 ARG HA A 26 TYR HA 1.0 . 3.45 180 180 A 9 LYS HA A 9 LYS HGy 1.0 . 4.19 181 181 A 30 GLN HA A 15 VAL HA 1.0 . 3.35 182 182 A 55 GLU HA A 58 ILE HB 1.0 . 4.38 183 183 A 10 TYR HE% A 60 LEU HBx 1.0 . 5.50 184 184 A 10 TYR HE% A 60 LEU HBy 1.0 . 5.50 185 185 A 27 TYR HD% A 25 LEU HBy 1.0 . 5.47 186 186 A 34 TYR HD% A 34 TYR HA 1.0 . 4.07 187 187 A 8 ARG HA A 8 ARG HE 1.0 . 5.50 188 188 A 26 TYR HE% A 19 ARG HA 1.0 . 5.50 189 189 A 57 ASP HA A 19 ARG HBy 1.0 . 5.50 190 190 A 26 TYR HA A 19 ARG HBy 1.0 . 5.50 191 191 A 26 TYR HA A 19 ARG HBx 1.0 . 5.50 192 192 A 57 ASP HA A 19 ARG HBx 1.0 . 5.50 193 193 A 58 ILE HA A 18 GLY HAx 1.0 . 4.67 194 194 A 58 ILE HA A 26 TYR HD% 1.0 . 5.50 195 195 A 58 ILE HG2% A 18 GLY HAy 1.0 . 5.30 196 196 A 26 TYR HE% A 19 ARG HGy 1.0 . 4.91 197 197 A 45 TYR HE% A 51 LEU HG 1.0 . 4.72 198 198 A 27 TYR HE% A 25 LEU HDy% 1.0 . 4.52 199 199 A 43 VAL HA A 32 THR HG2% 1.0 . 4.53 200 200 A 53 LEU HDy% A 18 GLY HAy 1.0 . 4.11 201 201 A 26 TYR HD% A 17 MET HBy 1.0 . 5.05 202 202 A 26 TYR HD% A 17 MET HBx 1.0 . 5.05 203 203 A 26 TYR HE% A 19 ARG HBx 1.0 . 5.02 204 204 A 26 TYR HE% A 19 ARG HBy 1.0 . 5.02 205 205 A 50 GLU HA A 51 LEU HDx% 1.0 . 5.50 206 206 A 20 TRP HH2 A 51 LEU HDy% 1.0 . 5.37 207 207 A 52 ALA HB% A 53 LEU HG 1.0 . 5.43 208 208 A 53 LEU HDx% A 53 LEU HBx 1.0 . 3.96 209 209 A 53 LEU HDx% A 53 LEU HBy 1.0 . 4.15 210 210 A 53 LEU HBy A 57 ASP HBy 1.0 . 4.75 211 211 A 58 ILE HD1% A 53 LEU HDx% 1.0 . 4.35 212 212 A 15 VAL HGx% A 30 GLN HGy 1.0 . 5.50 213 213 A 15 VAL HGx% A 30 GLN HGx 1.0 . 5.50 214 214 A 10 TYR HD% A 55 GLU HA 1.0 . 5.10 215 215 A 58 ILE HD1% A 41 TYR HBx 1.0 . 4.45 216 216 A 58 ILE HD1% A 18 GLY HAy 1.0 . 5.50 217 217 A 58 ILE HG2% A 55 GLU HA 1.0 . 5.12 218 218 A 26 TYR HE% A 59 ARG HBx 1.0 . 5.50 219 219 A 26 TYR HE% A 59 ARG HBy 1.0 . 5.50 220 220 A 43 VAL HB A 31 VAL HA 1.0 . 4.77 221 221 A 31 VAL HGx% A 10 TYR HBy 1.0 . 4.36 222 222 A 31 VAL HGx% A 10 TYR HBx 1.0 . 4.36 223 223 A 42 THR HA A 42 THR HG2% 1.0 . 3.39 224 224 A 52 ALA HA A 42 THR HG2% 1.0 . 4.16 225 225 A 43 VAL HA A 42 THR HG2% 1.0 . 4.97 226 226 A 43 VAL HGx% A 41 TYR HBy 1.0 . 4.42 227 227 A 43 VAL HGy% A 29 VAL HA 1.0 . 5.06 228 228 A 43 VAL HGy% A 45 TYR HD% 1.0 . 5.20 229 229 A 44 LYS HA A 44 LYS HDy 1.0 . 5.25 230 230 A 44 LYS HA A 44 LYS HDx 1.0 . 5.25 231 231 A 34 TYR HE% A 8 ARG HBy 1.0 . 5.31 232 232 A 10 TYR HD% A 14 GLU HBx 1.0 . 5.50 233 233 A 34 TYR HD% A 8 ARG HBx 1.0 . 5.50 234 234 A 34 TYR HD% A 8 ARG HBy 1.0 . 5.50 235 235 A 29 VAL HGx% A 20 TRP HZ3 1.0 . 5.50 236 236 A 20 TRP HZ2 A 51 LEU HDy% 1.0 . 5.50 237 237 A 10 TYR HE% A 9 LYS HGx 1.0 . 5.27 238 238 A 27 TYR HE% A 25 LEU HBx 1.0 . 4.58 239 239 A 25 LEU HA A 25 LEU HG 1.0 . 4.19 240 240 A 34 TYR HE% A 34 TYR HA 1.0 . 4.85 241 241 A 34 TYR HE% A 41 TYR HA 1.0 . 5.15 242 242 A 20 TRP HZ3 A 49 THR HB 1.0 . 5.50 243 243 A 49 THR HB A 47 ASP H 1.0 . 5.50 244 244 A 41 TYR HD% A 40 LEU HA 1.0 . 4.86 245 245 A 17 MET HA A 26 TYR HD% 1.0 . 5.50 246 246 A 27 TYR HE% A 25 LEU HG 1.0 . 5.50 247 247 A 34 TYR HE% A 8 ARG HGy 1.0 . 5.50 248 248 A 34 TYR HE% A 8 ARG HGx 1.0 . 5.50 249 249 A 29 VAL HGx% A 45 TYR HA 1.0 . 3.71 250 250 A 45 TYR HD% A 46 LYS HBy 1.0 . 5.50 251 251 A 45 TYR HD% A 46 LYS HBx 1.0 . 5.50 252 252 A 44 LYS HA A 50 GLU HBx 1.0 . 5.23 253 253 A 44 LYS HA A 50 GLU HBy 1.0 . 5.23 254 254 A 31 VAL HA A 31 VAL HB 1.0 . 4.08 255 255 A 43 VAL HGx% A 42 THR HA 1.0 . 4.60 256 256 A 43 VAL HGy% A 42 THR HA 1.0 . 4.97 257 257 A 19 ARG HA A 20 TRP H 1.0 . 3.09 258 258 A 26 TYR HA A 20 TRP H 1.0 . 4.13 259 259 A 20 TRP H A 20 TRP HBx 1.0 . 3.61 260 260 A 20 TRP H A 20 TRP HBy 1.0 . 3.61 261 261 A 20 TRP H A 19 ARG HGx 1.0 . 4.28 262 262 A 20 TRP H A 19 ARG HBx 1.0 . 4.67 263 263 A 20 TRP H A 19 ARG HGy 1.0 . 4.28 264 264 A 20 TRP H A 19 ARG HBy 1.0 . 4.67 265 265 A 11 ALA HB% A 11 ALA H 1.0 . 3.07 266 266 A 11 ALA H A 10 TYR HBy 1.0 . 4.43 267 267 A 11 ALA H A 10 TYR HBx 1.0 . 4.43 268 268 A 14 GLU HBy A 11 ALA H 1.0 . 4.87 269 269 A 14 GLU HBx A 11 ALA H 1.0 . 4.27 270 270 A 11 ALA H A 10 TYR HA 1.0 . 2.95 271 271 A 34 TYR HD% A 35 ASP H 1.0 . 4.19 272 272 A 41 TYR HA A 35 ASP H 1.0 . 4.07 273 273 A 34 TYR HA A 35 ASP H 1.0 . 3.23 274 274 A 35 ASP H A 35 ASP HBx 1.0 . 3.72 275 275 A 35 ASP H A 35 ASP HBy 1.0 . 3.72 276 276 A 45 TYR HD% A 45 TYR H 1.0 . 3.73 277 277 A 44 LYS HA A 45 TYR H 1.0 . 2.96 278 278 A 50 GLU HA A 45 TYR H 1.0 . 4.15 279 279 A 45 TYR H A 49 THR H 1.0 . 5.10 280 280 A 29 VAL HGx% A 45 TYR H 1.0 . 5.50 281 281 A 43 VAL HGy% A 45 TYR H 1.0 . 5.50 282 282 A 45 TYR H A 44 LYS HGx 1.0 . 4.49 283 283 A 45 TYR H A 44 LYS HGy 1.0 . 4.49 284 284 A 45 TYR H A 44 LYS HBx 1.0 . 4.51 285 285 A 45 TYR H A 44 LYS HBy 1.0 . 4.51 286 286 A 30 GLN HA A 31 VAL H 1.0 . 3.02 287 287 A 15 VAL HA A 31 VAL H 1.0 . 4.06 288 288 A 31 VAL HB A 31 VAL H 1.0 . 3.33 289 289 A 31 VAL HGy% A 31 VAL H 1.0 . 4.20 290 290 A 31 VAL HGx% A 31 VAL H 1.0 . 3.29 291 291 A 18 GLY HAy A 19 ARG H 1.0 . 3.35 292 292 A 26 TYR HA A 19 ARG H 1.0 . 5.50 293 293 A 57 ASP HA A 19 ARG H 1.0 . 5.50 294 294 A 58 ILE HA A 19 ARG H 1.0 . 5.50 295 295 A 19 ARG H A 19 ARG HBy 1.0 . 3.69 296 296 A 19 ARG H A 19 ARG HBx 1.0 . 3.69 297 297 A 53 LEU HDy% A 19 ARG H 1.0 . 5.33 298 298 A 26 TYR HD% A 19 ARG H 1.0 . 4.28 299 299 A 26 TYR HE% A 19 ARG H 1.0 . 4.29 300 300 A 65 LYS HA A 66 GLN H 1.0 . 3.26 301 301 A 14 GLU HA A 15 VAL H 1.0 . 2.80 302 302 A 15 VAL H A 15 VAL HB 1.0 . 3.21 303 303 A 15 VAL HGx% A 15 VAL H 1.0 . 3.43 304 304 A 15 VAL HGy% A 15 VAL H 1.0 . 4.01 305 305 A 15 VAL H A 14 GLU HGy 1.0 . 4.36 306 306 A 15 VAL H A 14 GLU HGx 1.0 . 4.36 307 307 A 49 THR HA A 50 GLU H 1.0 . 2.82 308 308 A 49 THR HB A 50 GLU H 1.0 . 4.26 309 309 A 49 THR HG2% A 50 GLU H 1.0 . 3.41 310 310 A 50 GLU H A 50 GLU HGx 1.0 . 4.46 311 311 A 50 GLU H A 50 GLU HGy 1.0 . 4.46 312 312 A 17 MET H A 59 ARG H 1.0 . 3.93 313 313 A 58 ILE HA A 59 ARG H 1.0 . 3.01 314 314 A 18 GLY HAy A 59 ARG H 1.0 . 4.37 315 315 A 58 ILE HG2% A 59 ARG H 1.0 . 3.36 316 316 A 16 VAL HB A 59 ARG H 1.0 . 4.93 317 317 A 59 ARG H A 59 ARG HBy 1.0 . 4.18 318 318 A 59 ARG H A 59 ARG HBx 1.0 . 4.18 319 319 A 35 ASP HA A 36 ASP H 1.0 . 2.86 320 320 A 36 ASP H A 36 ASP HBy 1.0 . 3.74 321 321 A 36 ASP H A 36 ASP HBx 1.0 . 3.74 322 322 A 27 TYR HA A 28 GLU H 1.0 . 3.07 323 323 A 28 GLU H A 27 TYR HBy 1.0 . 4.23 324 324 A 28 GLU H A 27 TYR HBx 1.0 . 4.23 325 325 A 17 MET HE% A 28 GLU H 1.0 . 4.14 326 326 A 41 TYR H A 53 LEU H 1.0 . 4.00 327 327 A 41 TYR HD% A 41 TYR H 1.0 . 3.57 328 328 A 41 TYR H A 40 LEU H 1.0 . 4.61 329 329 A 40 LEU HA A 41 TYR H 1.0 . 3.06 330 330 A 41 TYR H A 41 TYR HBy 1.0 . 4.03 331 331 A 41 TYR H A 41 TYR HBx 1.0 . 4.03 332 332 A 41 TYR H A 40 LEU HBy 1.0 . 4.54 333 333 A 53 LEU HG A 41 TYR H 1.0 . 5.00 334 334 A 41 TYR H A 40 LEU HBx 1.0 . 4.54 335 335 A 41 TYR H A 40 LEU HDx% 1.0 . 4.72 336 336 A 51 LEU HA A 52 ALA H 1.0 . 2.90 337 337 A 52 ALA HB% A 52 ALA H 1.0 . 3.48 338 338 A 52 ALA H A 51 LEU HDx% 1.0 . 5.01 339 339 A 52 ALA H A 51 LEU HDy% 1.0 . 5.01 340 340 A 45 TYR HD% A 46 LYS H 1.0 . 3.80 341 341 A 45 TYR HA A 46 LYS H 1.0 . 3.40 342 342 A 46 LYS H A 46 LYS HDx 1.0 . 5.50 343 343 A 46 LYS H A 46 LYS HDy 1.0 . 5.50 344 344 A 46 LYS H A 46 LYS HGy 1.0 . 4.63 345 345 A 46 LYS H A 46 LYS HGx 1.0 . 4.63 346 346 A 8 ARG HA A 9 LYS H 1.0 . 3.01 347 347 A 9 LYS H A 9 LYS HBy 1.0 . 3.88 348 348 A 9 LYS H A 9 LYS HBx 1.0 . 3.88 349 349 A 9 LYS H A 9 LYS HGy 1.0 . 4.81 350 350 A 9 LYS H A 9 LYS HGx 1.0 . 4.81 351 351 A 57 ASP H A 58 ILE H 1.0 . 3.27 352 352 A 12 ASP HA A 14 GLU H 1.0 . 4.43 353 353 A 55 GLU HA A 57 ASP H 1.0 . 4.64 354 354 A 31 VAL HB A 14 GLU H 1.0 . 4.23 355 355 A 14 GLU HBy A 14 GLU H 1.0 . 3.65 356 356 A 14 GLU HBx A 14 GLU H 1.0 . 3.45 357 357 A 11 ALA HB% A 14 GLU H 1.0 . 4.39 358 358 A 31 VAL HGx% A 14 GLU H 1.0 . 4.39 359 359 A 57 ASP H A 57 ASP HBx 1.0 . 3.95 360 360 A 57 ASP H A 57 ASP HBy 1.0 . 3.95 361 361 A 14 GLU H A 13 GLY H 1.0 . 3.59 362 362 A 57 ASP H A 54 LYS H 1.0 . 4.36 363 363 A 24 VAL H A 25 LEU H 1.0 . 3.50 364 364 A 25 LEU H A 23 SER HA 1.0 . 4.55 365 365 A 25 LEU H A 23 SER HBy 1.0 . 4.47 366 366 A 25 LEU H A 23 SER HBx 1.0 . 4.47 367 367 A 25 LEU HBy A 25 LEU H 1.0 . 3.49 368 368 A 25 LEU HG A 25 LEU H 1.0 . 3.44 369 369 A 25 LEU HBx A 25 LEU H 1.0 . 3.87 370 370 A 25 LEU HDx% A 25 LEU H 1.0 . 4.33 371 371 A 25 LEU HDy% A 25 LEU H 1.0 . 4.15 372 372 A 52 ALA HA A 53 LEU H 1.0 . 2.93 373 373 A 42 THR HA A 53 LEU H 1.0 . 4.10 374 374 A 53 LEU HG A 53 LEU H 1.0 . 3.55 375 375 A 52 ALA HB% A 53 LEU H 1.0 . 3.75 376 376 A 53 LEU HDy% A 53 LEU H 1.0 . 4.40 377 377 A 53 LEU HDx% A 53 LEU H 1.0 . 4.57 378 378 A 60 LEU HA A 61 GLN H 1.0 . 3.12 379 379 A 61 GLN H A 61 GLN HBy 1.0 . 3.93 380 380 A 61 GLN H A 61 GLN HBx 1.0 . 3.93 381 381 A 61 GLN H A 60 LEU HDx% 1.0 . 5.50 382 382 A 61 GLN H A 60 LEU HDy% 1.0 . 5.50 383 383 A 31 VAL H A 32 THR H 1.0 . 5.17 384 384 A 32 THR H A 44 LYS H 1.0 . 5.43 385 385 A 43 VAL HA A 32 THR H 1.0 . 3.58 386 386 A 31 VAL HA A 32 THR H 1.0 . 3.16 387 387 A 32 THR H A 32 THR HB 1.0 . 3.36 388 388 A 31 VAL HGy% A 32 THR H 1.0 . 3.77 389 389 A 43 VAL HGx% A 32 THR H 1.0 . 4.14 390 390 A 31 VAL HGx% A 32 THR H 1.0 . 4.35 391 391 A 32 THR H A 33 SER HA 1.0 . 4.96 392 392 A 43 VAL H A 51 LEU H 1.0 . 3.77 393 393 A 50 GLU HA A 51 LEU H 1.0 . 2.93 394 394 A 44 LYS HA A 51 LEU H 1.0 . 4.19 395 395 A 42 THR HA A 51 LEU H 1.0 . 5.18 396 396 A 51 LEU HBy A 51 LEU H 1.0 . 4.03 397 397 A 42 THR HG2% A 51 LEU H 1.0 . 4.67 398 398 A 51 LEU HG A 51 LEU H 1.0 . 4.85 399 399 A 43 VAL HGy% A 51 LEU H 1.0 . 3.68 400 400 A 51 LEU H A 51 LEU HDx% 1.0 . 4.71 401 401 A 51 LEU H A 51 LEU HDy% 1.0 . 4.71 402 402 A 64 PHE HD% A 64 PHE H 1.0 . 4.53 403 403 A 16 VAL H A 29 VAL H 1.0 . 3.93 404 404 A 30 GLN HA A 16 VAL H 1.0 . 4.04 405 405 A 15 VAL HA A 16 VAL H 1.0 . 2.96 406 406 A 28 GLU HA A 16 VAL H 1.0 . 5.50 407 407 A 15 VAL HGx% A 16 VAL H 1.0 . 4.34 408 408 A 15 VAL HGy% A 16 VAL H 1.0 . 3.58 409 409 A 29 VAL HGy% A 16 VAL H 1.0 . 4.41 410 410 A 16 VAL HGx% A 16 VAL H 1.0 . 4.00 411 411 A 16 VAL HGy% A 16 VAL H 1.0 . 3.33 412 412 A 15 VAL HB A 16 VAL H 1.0 . 4.65 413 413 A 41 TYR HD% A 55 GLU H 1.0 . 4.39 414 414 A 41 TYR HE% A 55 GLU H 1.0 . 4.49 415 415 A 55 GLU H A 55 GLU HBy 1.0 . 3.93 416 416 A 55 GLU H A 55 GLU HBx 1.0 . 3.93 417 417 A 55 GLU H A 54 LYS HBy 1.0 . 4.24 418 418 A 55 GLU H A 54 LYS HBx 1.0 . 4.24 419 419 A 55 GLU H A 54 LYS HGy 1.0 . 5.50 420 420 A 55 GLU H A 54 LYS HGx 1.0 . 5.50 421 421 A 55 GLU H A 40 LEU HDx% 1.0 . 4.79 422 422 A 11 ALA HA A 12 ASP H 1.0 . 2.96 423 423 A 11 ALA HB% A 12 ASP H 1.0 . 3.28 424 424 A 31 VAL HGy% A 12 ASP H 1.0 . 4.82 425 425 A 43 VAL HA A 44 LYS H 1.0 . 3.15 426 426 A 53 LEU HA A 54 LYS H 1.0 . 3.01 427 427 A 54 LYS H A 57 ASP HBy 1.0 . 4.45 428 428 A 54 LYS H A 57 ASP HBx 1.0 . 4.45 429 429 A 54 LYS H A 54 LYS HBy 1.0 . 4.06 430 430 A 54 LYS H A 54 LYS HBx 1.0 . 4.06 431 431 A 54 LYS H A 54 LYS HGy 1.0 . 4.37 432 432 A 54 LYS H A 54 LYS HGx 1.0 . 4.37 433 433 A 53 LEU HBx A 54 LYS H 1.0 . 4.04 434 434 A 53 LEU HDx% A 54 LYS H 1.0 . 5.05 435 435 A 43 VAL HB A 44 LYS H 1.0 . 3.58 436 436 A 53 LEU HBy A 54 LYS H 1.0 . 4.11 437 437 A 32 THR HG2% A 44 LYS H 1.0 . 4.25 438 438 A 43 VAL HGy% A 44 LYS H 1.0 . 4.06 439 439 A 53 LEU HDy% A 54 LYS H 1.0 . 4.08 440 440 A 31 VAL HA A 44 LYS H 1.0 . 4.91 441 441 A 17 MET HA A 29 VAL H 1.0 . 4.02 442 442 A 28 GLU HA A 29 VAL H 1.0 . 2.87 443 443 A 15 VAL HGy% A 29 VAL H 1.0 . 4.46 444 444 A 29 VAL HGx% A 29 VAL H 1.0 . 4.00 445 445 A 29 VAL HGy% A 29 VAL H 1.0 . 3.39 446 446 A 16 VAL HGy% A 29 VAL H 1.0 . 4.32 447 447 A 33 SER HA A 34 TYR H 1.0 . 2.98 448 448 A 34 TYR H A 33 SER HBy 1.0 . 3.97 449 449 A 34 TYR H A 33 SER HBx 1.0 . 3.97 450 450 A 34 TYR H A 34 TYR HBy 1.0 . 3.98 451 451 A 34 TYR H A 34 TYR HBx 1.0 . 3.98 452 452 A 36 ASP H A 37 ALA H 1.0 . 3.45 453 453 A 37 ALA H A 38 SER H 1.0 . 3.14 454 454 A 37 ALA H A 39 HIS H 1.0 . 4.01 455 455 A 35 ASP HA A 37 ALA H 1.0 . 4.32 456 456 A 37 ALA H A 36 ASP HBy 1.0 . 4.31 457 457 A 37 ALA H A 36 ASP HBx 1.0 . 4.31 458 458 A 37 ALA H A 37 ALA HB% 1.0 . 2.89 459 459 A 52 ALA HA A 43 VAL H 1.0 . 3.98 460 460 A 42 THR HA A 43 VAL H 1.0 . 2.94 461 461 A 43 VAL H A 42 THR HB 1.0 . 4.38 462 462 A 42 THR HG2% A 43 VAL H 1.0 . 3.49 463 463 A 43 VAL HGy% A 43 VAL H 1.0 . 3.26 464 464 A 18 GLY H A 27 TYR H 1.0 . 3.73 465 465 A 27 TYR HD% A 27 TYR H 1.0 . 4.00 466 466 A 26 TYR HA A 27 TYR H 1.0 . 3.17 467 467 A 19 ARG HA A 27 TYR H 1.0 . 4.30 468 468 A 27 TYR H A 27 TYR HBy 1.0 . 4.15 469 469 A 27 TYR H A 27 TYR HBx 1.0 . 4.15 470 470 A 27 TYR H A 26 TYR HBx 1.0 . 4.56 471 471 A 27 TYR H A 26 TYR HBy 1.0 . 4.56 472 472 A 7 ASN HA A 8 ARG H 1.0 . 3.50 473 473 A 8 ARG H A 7 ASN HBy 1.0 . 5.06 474 474 A 8 ARG H A 7 ASN HBx 1.0 . 5.06 475 475 A 8 ARG H A 8 ARG HBy 1.0 . 4.14 476 476 A 8 ARG H A 8 ARG HBx 1.0 . 4.14 477 477 A 58 ILE H A 56 SER HA 1.0 . 4.75 478 478 A 55 GLU HA A 58 ILE H 1.0 . 4.43 479 479 A 58 ILE H A 57 ASP HBy 1.0 . 4.95 480 480 A 58 ILE H A 57 ASP HBx 1.0 . 4.95 481 481 A 58 ILE H A 58 ILE HG1y 1.0 . 4.50 482 482 A 58 ILE HB A 58 ILE H 1.0 . 3.37 483 483 A 58 ILE H A 58 ILE HG1x 1.0 . 4.50 484 484 A 58 ILE HD1% A 58 ILE H 1.0 . 4.49 485 485 A 58 ILE HG2% A 58 ILE H 1.0 . 4.35 486 486 A 60 LEU HG A 60 LEU H 1.0 . 3.39 487 487 A 44 LYS H A 30 GLN H 1.0 . 3.58 488 488 A 29 VAL H A 30 GLN H 1.0 . 5.00 489 489 A 29 VAL HA A 30 GLN H 1.0 . 3.08 490 490 A 49 THR HB A 49 THR H 1.0 . 3.40 491 491 A 29 VAL HB A 30 GLN H 1.0 . 3.82 492 492 A 43 VAL HB A 30 GLN H 1.0 . 4.32 493 493 A 29 VAL HGx% A 30 GLN H 1.0 . 4.03 494 494 A 43 VAL HGx% A 30 GLN H 1.0 . 4.57 495 495 A 29 VAL HGy% A 30 GLN H 1.0 . 4.36 496 496 A 49 THR HG2% A 49 THR H 1.0 . 3.91 497 497 A 47 ASP H A 49 THR H 1.0 . 4.79 498 498 A 41 TYR HD% A 42 THR H 1.0 . 4.71 499 499 A 41 TYR HA A 42 THR H 1.0 . 3.09 500 500 A 42 THR HB A 42 THR H 1.0 . 3.47 501 501 A 42 THR HG2% A 42 THR H 1.0 . 3.90 502 502 A 26 TYR HD% A 26 TYR H 1.0 . 3.48 503 503 A 25 LEU HA A 26 TYR H 1.0 . 2.99 504 504 A 26 TYR H A 26 TYR HBy 1.0 . 4.04 505 505 A 26 TYR H A 26 TYR HBx 1.0 . 4.04 506 506 A 25 LEU HBy A 26 TYR H 1.0 . 4.38 507 507 A 25 LEU HBx A 26 TYR H 1.0 . 3.80 508 508 A 25 LEU HDx% A 26 TYR H 1.0 . 4.04 509 509 A 47 ASP H A 48 GLY H 1.0 . 3.39 510 510 A 45 TYR HD% A 47 ASP H 1.0 . 4.35 511 511 A 47 ASP H A 46 LYS H 1.0 . 4.08 512 512 A 47 ASP H A 46 LYS HBy 1.0 . 5.21 513 513 A 47 ASP H A 46 LYS HBx 1.0 . 5.21 514 514 A 38 SER H A 39 HIS H 1.0 . 3.16 515 515 A 39 HIS HA A 39 HIS H 1.0 . 2.93 516 516 A 39 HIS H A 37 ALA HB% 1.0 . 4.46 517 517 A 40 LEU H A 39 HIS H 1.0 . 3.43 518 518 A 35 ASP H A 40 LEU H 1.0 . 4.21 519 519 A 40 LEU H A 35 ASP HBy 1.0 . 4.52 520 520 A 40 LEU H A 35 ASP HBx 1.0 . 4.52 521 521 A 40 LEU H A 40 LEU HBy 1.0 . 4.04 522 522 A 40 LEU H A 40 LEU HBx 1.0 . 4.04 523 523 A 40 LEU H A 40 LEU HDx% 1.0 . 4.74 524 524 A 40 LEU H A 40 LEU HDy% 1.0 . 4.74 525 525 A 22 GLY H A 23 SER H 1.0 . 4.55 526 526 A 23 SER H A 23 SER HBy 1.0 . 3.89 527 527 A 23 SER H A 23 SER HBx 1.0 . 3.89 528 528 A 16 VAL HA A 17 MET H 1.0 . 3.36 529 529 A 60 LEU HA A 17 MET H 1.0 . 5.24 530 530 A 17 MET H A 17 MET HGy 1.0 . 4.30 531 531 A 17 MET H A 17 MET HGx 1.0 . 4.30 532 532 A 16 VAL HB A 17 MET H 1.0 . 2.98 533 533 A 17 MET HE% A 17 MET H 1.0 . 5.50 534 534 A 17 MET H A 59 ARG HBy 1.0 . 5.50 535 535 A 17 MET H A 59 ARG HBx 1.0 . 5.50 536 536 A 16 VAL HGx% A 17 MET H 1.0 . 4.02 537 537 A 16 VAL HGy% A 17 MET H 1.0 . 3.93 538 538 A 58 ILE HG2% A 17 MET H 1.0 . 3.96 539 539 A 9 LYS H A 10 TYR H 1.0 . 3.55 540 540 A 10 TYR HD% A 10 TYR H 1.0 . 3.76 541 541 A 10 TYR HE% A 10 TYR H 1.0 . 4.76 542 542 A 8 ARG HA A 10 TYR H 1.0 . 4.46 543 543 A 10 TYR H A 10 TYR HBy 1.0 . 4.02 544 544 A 10 TYR H A 10 TYR HBx 1.0 . 4.02 545 545 A 10 TYR H A 9 LYS HBy 1.0 . 4.25 546 546 A 10 TYR H A 9 LYS HBx 1.0 . 4.25 547 547 A 34 TYR H A 33 SER H 1.0 . 4.58 548 548 A 42 THR H A 33 SER H 1.0 . 4.06 549 549 A 32 THR H A 33 SER H 1.0 . 3.00 550 550 A 43 VAL HA A 33 SER H 1.0 . 4.47 551 551 A 41 TYR HA A 33 SER H 1.0 . 5.50 552 552 A 42 THR HA A 33 SER H 1.0 . 5.50 553 553 A 32 THR HB A 33 SER H 1.0 . 4.14 554 554 A 42 THR HB A 33 SER H 1.0 . 3.49 555 555 A 31 VAL HGy% A 33 SER H 1.0 . 3.62 556 556 A 24 VAL H A 23 SER HA 1.0 . 3.33 557 557 A 24 VAL H A 23 SER HBy 1.0 . 4.57 558 558 A 24 VAL H A 23 SER HBx 1.0 . 4.57 559 559 A 25 LEU HG A 24 VAL H 1.0 . 4.86 560 560 A 24 VAL H A 24 VAL HGx% 1.0 . 4.00 561 561 A 24 VAL H A 24 VAL HGy% 1.0 . 4.00 562 562 A 12 ASP HA A 13 GLY H 1.0 . 3.00 563 563 A 13 GLY H A 12 ASP HBy 1.0 . 3.72 564 564 A 14 GLU HBx A 13 GLY H 1.0 . 4.50 565 565 A 31 VAL HGy% A 13 GLY H 1.0 . 4.12 566 566 A 40 LEU H A 38 SER H 1.0 . 4.58 567 567 A 36 ASP HA A 38 SER H 1.0 . 4.91 568 568 A 39 HIS HA A 38 SER H 1.0 . 5.30 569 569 A 38 SER H A 38 SER HBy 1.0 . 4.06 570 570 A 38 SER H A 38 SER HBx 1.0 . 4.06 571 571 A 38 SER H A 37 ALA HB% 1.0 . 3.29 572 572 A 17 MET H A 18 GLY H 1.0 . 4.90 573 573 A 19 ARG H A 18 GLY H 1.0 . 5.20 574 574 A 26 TYR HD% A 18 GLY H 1.0 . 4.57 575 575 A 17 MET HA A 18 GLY H 1.0 . 3.17 576 576 A 28 GLU HA A 18 GLY H 1.0 . 4.65 577 577 A 29 VAL HGy% A 18 GLY H 1.0 . 3.99 578 578 A 18 GLY H A 17 MET HBx 1.0 . 4.78 579 579 A 17 MET HE% A 18 GLY H 1.0 . 5.11 580 580 A 29 VAL HB A 18 GLY H 1.0 . 5.50 581 581 A 18 GLY H A 17 MET HBy 1.0 . 4.78 582 582 A 48 GLY H A 46 LYS HA 1.0 . 4.29 583 583 A 55 GLU H A 56 SER H 1.0 . 3.88 584 584 A 56 SER H A 56 SER HBy 1.0 . 4.01 585 585 A 56 SER H A 56 SER HBx 1.0 . 4.01 586 586 A 56 SER H A 55 GLU HBx 1.0 . 4.68 587 587 A 56 SER H A 55 GLU HGx 1.0 . 5.02 588 588 A 56 SER H A 54 LYS HBy 1.0 . 4.24 589 589 A 56 SER H A 54 LYS HBx 1.0 . 4.24 590 590 A 56 SER H A 55 GLU HGy 1.0 . 5.02 591 591 A 56 SER H A 55 GLU HBy 1.0 . 4.68 592 592 A 56 SER H A 54 LYS HGy 1.0 . 5.50 593 593 A 56 SER H A 54 LYS HGx 1.0 . 5.50 594 594 A 31 VAL HGy% A 14 GLU H 1.0 . 4.91 595 595 A 20 TRP H A 27 TYR H 1.0 . 5.04 596 596 A 20 TRP HE3 A 20 TRP H 1.0 . 5.44 597 597 A 26 TYR HD% A 20 TRP H 1.0 . 5.50 598 598 A 27 TYR HD% A 20 TRP H 1.0 . 4.57 599 599 A 27 TYR HE% A 20 TRP H 1.0 . 4.85 600 600 A 10 TYR HD% A 11 ALA H 1.0 . 4.40 601 601 A 39 HIS HA A 35 ASP H 1.0 . 4.88 602 602 A 29 VAL HGx% A 18 GLY H 1.0 . 5.10 603 603 A 35 ASP HA A 38 SER H 1.0 . 4.83 604 604 A 19 ARG HE A 19 ARG HBy 1.0 . 5.17 605 605 A 19 ARG HE A 19 ARG HBx 1.0 . 5.17 606 606 A 31 VAL HGx% A 13 GLY H 1.0 . 4.87 607 607 A 13 GLY H A 12 ASP H 1.0 . 4.86 608 608 A 43 VAL HGx% A 42 THR H 1.0 . 4.76 609 609 A 59 ARG H A 58 ILE H 1.0 . 4.79 610 610 A 25 LEU H A 24 VAL HB 1.0 . 4.85 611 611 A 43 VAL HGy% A 52 ALA H 1.0 . 5.50 612 612 A 53 LEU HDx% A 52 ALA H 1.0 . 5.50 613 613 A 42 THR HG2% A 52 ALA H 1.0 . 5.31 614 614 A 51 LEU HG A 52 ALA H 1.0 . 5.50 615 615 A 45 TYR HE% A 28 GLU H 1.0 . 4.75 616 616 A 16 VAL HGy% A 59 ARG H 1.0 . 5.50 617 617 A 58 ILE HD1% A 59 ARG H 1.0 . 5.50 618 618 A 35 ASP H A 36 ASP H 1.0 . 4.68 619 619 A 35 ASP H A 34 TYR H 1.0 . 4.86 620 620 A 25 LEU HBy A 20 TRP H 1.0 . 5.50 621 621 A 10 TYR HD% A 10 TYR HA 1.0 . 3.76 622 622 A 27 TYR HD% A 45 TYR HD% 1.0 . 5.35 623 623 A 27 TYR HD% A 26 TYR HA 1.0 . 3.90 624 624 A 34 TYR HE% A 35 ASP H 1.0 . 4.63 625 625 A 34 TYR HD% A 41 TYR HA 1.0 . 4.20 626 626 A 41 TYR HD% A 34 TYR HE% 1.0 . 4.65 627 627 A 41 TYR HD% A 34 TYR HD% 1.0 . 4.49 628 628 A 41 TYR HD% A 55 GLU HA 1.0 . 4.33 629 629 A 41 TYR HE% A 55 GLU HBy 1.0 . 4.16 630 630 A 41 TYR HE% A 55 GLU HBx 1.0 . 4.16 631 631 A 27 TYR HE% A 20 TRP HBy 1.0 . 4.16 632 632 A 27 TYR HE% A 25 LEU HBy 1.0 . 4.23 633 633 A 34 TYR HE% A 8 ARG HBx 1.0 . 5.31 634 634 A 41 TYR HE% A 34 TYR HD% 1.0 . 5.02 635 635 A 45 TYR HD% A 20 TRP HH2 1.0 . 4.74 636 636 A 45 TYR HD% A 20 TRP HZ3 1.0 . 4.87 637 637 A 34 TYR HD% A 40 LEU HA 1.0 . 4.80 638 638 A 41 TYR HD% A 31 VAL HGx% 1.0 . 4.13 639 639 A 41 TYR HD% A 55 GLU HBx 1.0 . 5.03 640 640 A 10 TYR HD% A 9 LYS HBy 1.0 . 4.94 641 641 A 27 TYR HD% A 19 ARG HA 1.0 . 4.51 642 642 A 5 MET HA A 6 PRO HDx 1.0 . 3.16 643 642 A 5 MET HA A 6 PRO HDy 1.0 . 3.16 644 643 A 8 ARG H A 7 ASN HBx 1.0 . 4.33 645 643 A 8 ARG H A 7 ASN HBy 1.0 . 4.33 646 644 A 8 ARG H A 8 ARG HGx 1.0 . 3.92 647 644 A 8 ARG H A 8 ARG HGy 1.0 . 3.92 648 645 A 8 ARG HA A 8 ARG HGx 1.0 . 3.74 649 645 A 8 ARG HA A 8 ARG HGy 1.0 . 3.74 650 646 A 8 ARG HE A 8 ARG HBy 1.0 . 4.30 651 646 A 8 ARG HE A 8 ARG HBx 1.0 . 4.30 652 647 A 9 LYS H A 8 ARG HBy 1.0 . 4.32 653 647 A 9 LYS H A 8 ARG HBx 1.0 . 4.32 654 648 A 10 TYR H A 8 ARG HBy 1.0 . 4.44 655 648 A 10 TYR H A 8 ARG HBx 1.0 . 4.44 656 649 A 34 TYR HE% A 8 ARG HBy 1.0 . 4.60 657 649 A 34 TYR HE% A 8 ARG HBx 1.0 . 4.60 658 650 A 41 TYR HE% A 8 ARG HBy 1.0 . 5.24 659 650 A 41 TYR HE% A 8 ARG HBx 1.0 . 5.24 660 651 A 41 TYR HE% A 8 ARG HDx 1.0 . 4.67 661 651 A 41 TYR HE% A 8 ARG HDy 1.0 . 4.67 662 652 A 9 LYS H A 9 LYS HBy 1.0 . 3.29 663 652 A 9 LYS H A 9 LYS HBx 1.0 . 3.29 664 653 A 9 LYS H A 9 LYS HGx 1.0 . 4.04 665 653 A 9 LYS H A 9 LYS HGy 1.0 . 4.04 666 654 A 9 LYS HA A 9 LYS HDy 1.0 . 4.58 667 654 A 9 LYS HA A 9 LYS HDx 1.0 . 4.58 668 655 A 10 TYR HD% A 9 LYS HBy 1.0 . 4.25 669 655 A 10 TYR HD% A 9 LYS HBx 1.0 . 4.25 670 656 A 10 TYR HE% A 9 LYS HBy 1.0 . 4.43 671 656 A 10 TYR HE% A 9 LYS HBx 1.0 . 4.43 672 657 A 10 TYR H A 10 TYR HBx 1.0 . 3.47 673 657 A 10 TYR H A 10 TYR HBy 1.0 . 3.47 674 658 A 11 ALA H A 10 TYR HBx 1.0 . 3.73 675 658 A 11 ALA H A 10 TYR HBy 1.0 . 3.73 676 659 A 16 VAL HGx% A 10 TYR HBx 1.0 . 4.18 677 659 A 16 VAL HGx% A 10 TYR HBy 1.0 . 4.18 678 660 A 31 VAL HGx% A 10 TYR HBx 1.0 . 3.60 679 660 A 31 VAL HGx% A 10 TYR HBy 1.0 . 3.60 680 661 A 41 TYR HD% A 10 TYR HBx 1.0 . 4.99 681 661 A 41 TYR HD% A 10 TYR HBy 1.0 . 4.99 682 662 A 41 TYR HE% A 10 TYR HBx 1.0 . 3.98 683 662 A 41 TYR HE% A 10 TYR HBy 1.0 . 3.98 684 663 A 10 TYR HD% A 55 GLU HBx 1.0 . 5.34 685 663 A 10 TYR HD% A 55 GLU HBy 1.0 . 5.34 686 664 A 10 TYR HD% A 60 LEU HDx% 1.0 . 4.29 687 664 A 10 TYR HD% A 60 LEU HDy% 1.0 . 4.29 688 665 A 10 TYR HE% A 55 GLU HBx 1.0 . 4.83 689 665 A 10 TYR HE% A 55 GLU HBy 1.0 . 4.83 690 666 A 10 TYR HE% A 60 LEU HDx% 1.0 . 3.69 691 666 A 10 TYR HE% A 60 LEU HDy% 1.0 . 3.69 692 667 A 12 ASP H A 12 ASP HBx 1.0 . 3.33 693 667 A 12 ASP H A 12 ASP HBy 1.0 . 3.33 694 668 A 14 GLU H A 14 GLU HGy 1.0 . 4.48 695 668 A 14 GLU H A 14 GLU HGx 1.0 . 4.48 696 669 A 14 GLU HA A 14 GLU HGy 1.0 . 3.37 697 669 A 14 GLU HA A 14 GLU HGx 1.0 . 3.37 698 670 A 15 VAL H A 14 GLU HGy 1.0 . 3.71 699 670 A 15 VAL H A 14 GLU HGx 1.0 . 3.71 700 671 A 16 VAL HGx% A 14 GLU HGy 1.0 . 3.94 701 671 A 16 VAL HGx% A 14 GLU HGx 1.0 . 3.94 702 672 A 15 VAL HGy% A 28 GLU HGy 1.0 . 4.16 703 672 A 15 VAL HGy% A 28 GLU HGx 1.0 . 4.16 704 673 A 15 VAL HGx% A 30 GLN HGx 1.0 . 4.73 705 673 A 15 VAL HGx% A 30 GLN HGy 1.0 . 4.73 706 674 A 16 VAL HGx% A 60 LEU HDx% 1.0 . 4.09 707 674 A 16 VAL HGx% A 60 LEU HDy% 1.0 . 4.09 708 675 A 17 MET H A 17 MET HGx 1.0 . 3.70 709 675 A 17 MET H A 17 MET HGy 1.0 . 3.70 710 676 A 17 MET H A 59 ARG HBx 1.0 . 4.78 711 676 A 17 MET H A 59 ARG HBy 1.0 . 4.78 712 677 A 26 TYR HD% A 17 MET HBx 1.0 . 4.28 713 677 A 26 TYR HD% A 17 MET HBy 1.0 . 4.28 714 678 A 59 ARG H A 17 MET HBx 1.0 . 5.09 715 678 A 59 ARG H A 17 MET HBy 1.0 . 5.09 716 679 A 17 MET HE% A 17 MET HGx 1.0 . 3.50 717 679 A 17 MET HE% A 17 MET HGy 1.0 . 3.50 718 680 A 18 GLY HAy A 58 ILE HG1x 1.0 . 5.12 719 680 A 18 GLY HAy A 58 ILE HG1y 1.0 . 5.12 720 681 A 19 ARG H A 19 ARG HBy 1.0 . 3.23 721 681 A 19 ARG H A 19 ARG HBx 1.0 . 3.23 722 682 A 19 ARG H A 19 ARG HGy 1.0 . 4.83 723 682 A 19 ARG H A 19 ARG HGx 1.0 . 4.83 724 683 A 19 ARG H A 57 ASP HBx 1.0 . 4.11 725 683 A 19 ARG H A 57 ASP HBy 1.0 . 4.11 726 684 A 19 ARG HA A 19 ARG HGy 1.0 . 3.63 727 684 A 19 ARG HA A 19 ARG HGx 1.0 . 3.63 728 685 A 19 ARG HBy A 19 ARG HDy 1.0 . 3.33 729 685 A 19 ARG HBx A 19 ARG HDy 1.0 . 3.33 730 685 A 19 ARG HDx A 19 ARG HBy 1.0 . 3.33 731 685 A 19 ARG HBx A 19 ARG HDx 1.0 . 3.33 732 686 A 19 ARG HE A 19 ARG HBy 1.0 . 4.41 733 686 A 19 ARG HE A 19 ARG HBx 1.0 . 4.41 734 687 A 20 TRP H A 19 ARG HBy 1.0 . 4.10 735 687 A 20 TRP H A 19 ARG HBx 1.0 . 4.10 736 688 A 26 TYR HD% A 19 ARG HBy 1.0 . 5.29 737 688 A 26 TYR HD% A 19 ARG HBx 1.0 . 5.29 738 689 A 26 TYR HE% A 19 ARG HBy 1.0 . 4.23 739 689 A 26 TYR HE% A 19 ARG HBx 1.0 . 4.23 740 690 A 57 ASP HA A 19 ARG HBy 1.0 . 4.66 741 690 A 57 ASP HA A 19 ARG HBx 1.0 . 4.66 742 691 A 19 ARG HBy A 57 ASP HBx 1.0 . 4.89 743 691 A 19 ARG HBx A 57 ASP HBx 1.0 . 4.89 744 691 A 57 ASP HBy A 19 ARG HBy 1.0 . 4.89 745 691 A 19 ARG HBx A 57 ASP HBy 1.0 . 4.89 746 692 A 24 VAL HA A 19 ARG HGy 1.0 . 4.49 747 692 A 24 VAL HA A 19 ARG HGx 1.0 . 4.49 748 693 A 26 TYR HD% A 19 ARG HGy 1.0 . 4.90 749 693 A 26 TYR HD% A 19 ARG HGx 1.0 . 4.90 750 694 A 26 TYR HE% A 19 ARG HGy 1.0 . 4.09 751 694 A 26 TYR HE% A 19 ARG HGx 1.0 . 4.09 752 695 A 24 VAL HA A 19 ARG HDy 1.0 . 3.81 753 695 A 24 VAL HA A 19 ARG HDx 1.0 . 3.81 754 696 A 26 TYR HE% A 19 ARG HDy 1.0 . 4.19 755 696 A 26 TYR HE% A 19 ARG HDx 1.0 . 4.19 756 697 A 20 TRP H A 20 TRP HBy 1.0 . 3.16 757 697 A 20 TRP H A 20 TRP HBx 1.0 . 3.16 758 698 A 20 TRP HA A 51 LEU HDx% 1.0 . 4.52 759 698 A 20 TRP HA A 51 LEU HDy% 1.0 . 4.52 760 699 A 27 TYR HD% A 20 TRP HBy 1.0 . 4.03 761 699 A 27 TYR HD% A 20 TRP HBx 1.0 . 4.03 762 700 A 20 TRP HD1 A 21 PRO HGy 1.0 . 5.33 763 700 A 20 TRP HD1 A 21 PRO HGx 1.0 . 5.33 764 701 A 20 TRP HD1 A 21 PRO HDx 1.0 . 4.63 765 701 A 20 TRP HD1 A 21 PRO HDy 1.0 . 4.63 766 702 A 20 TRP HE3 A 51 LEU HDx% 1.0 . 5.41 767 702 A 20 TRP HE3 A 51 LEU HDy% 1.0 . 5.41 768 703 A 20 TRP HZ3 A 45 TYR HBx 1.0 . 4.76 769 703 A 20 TRP HZ3 A 45 TYR HBy 1.0 . 4.76 770 704 A 20 TRP HZ3 A 51 LEU HDx% 1.0 . 4.42 771 704 A 20 TRP HZ3 A 51 LEU HDy% 1.0 . 4.42 772 705 A 20 TRP HZ2 A 21 PRO HGy 1.0 . 5.35 773 705 A 20 TRP HZ2 A 21 PRO HGx 1.0 . 5.35 774 706 A 20 TRP HZ2 A 51 LEU HDx% 1.0 . 4.63 775 706 A 20 TRP HZ2 A 51 LEU HDy% 1.0 . 4.63 776 707 A 21 PRO HGy A 51 LEU HDx% 1.0 . 3.58 777 707 A 21 PRO HGx A 51 LEU HDx% 1.0 . 3.58 778 707 A 51 LEU HDy% A 21 PRO HGy 1.0 . 3.58 779 707 A 51 LEU HDy% A 21 PRO HGx 1.0 . 3.58 780 708 A 45 TYR HE% A 21 PRO HDx 1.0 . 5.35 781 708 A 45 TYR HE% A 21 PRO HDy 1.0 . 5.35 782 709 A 21 PRO HDx A 51 LEU HDx% 1.0 . 3.49 783 709 A 21 PRO HDy A 51 LEU HDx% 1.0 . 3.49 784 709 A 51 LEU HDy% A 21 PRO HDx 1.0 . 3.49 785 709 A 51 LEU HDy% A 21 PRO HDy 1.0 . 3.49 786 710 A 53 LEU HDx% A 21 PRO HDx 1.0 . 5.31 787 710 A 53 LEU HDx% A 21 PRO HDy 1.0 . 5.31 788 711 A 23 SER H A 23 SER HBx 1.0 . 3.34 789 711 A 23 SER H A 23 SER HBy 1.0 . 3.34 790 712 A 24 VAL H A 23 SER HBx 1.0 . 3.72 791 712 A 24 VAL H A 23 SER HBy 1.0 . 3.72 792 713 A 25 LEU H A 23 SER HBx 1.0 . 3.71 793 713 A 25 LEU H A 23 SER HBy 1.0 . 3.71 794 714 A 24 VAL H A 24 VAL HGy% 1.0 . 3.31 795 714 A 24 VAL H A 24 VAL HGx% 1.0 . 3.31 796 715 A 25 LEU H A 24 VAL HGy% 1.0 . 3.83 797 715 A 25 LEU H A 24 VAL HGx% 1.0 . 3.83 798 716 A 26 TYR H A 26 TYR HBx 1.0 . 3.36 799 716 A 26 TYR H A 26 TYR HBy 1.0 . 3.36 800 717 A 27 TYR H A 26 TYR HBx 1.0 . 3.84 801 717 A 27 TYR H A 26 TYR HBy 1.0 . 3.84 802 718 A 26 TYR HD% A 59 ARG HBx 1.0 . 5.34 803 718 A 26 TYR HD% A 59 ARG HBy 1.0 . 5.34 804 719 A 27 TYR H A 27 TYR HBx 1.0 . 3.53 805 719 A 27 TYR H A 27 TYR HBy 1.0 . 3.53 806 720 A 28 GLU H A 27 TYR HBx 1.0 . 3.50 807 720 A 28 GLU H A 27 TYR HBy 1.0 . 3.50 808 721 A 45 TYR HD% A 27 TYR HBx 1.0 . 4.23 809 721 A 45 TYR HD% A 27 TYR HBy 1.0 . 4.23 810 722 A 28 GLU H A 28 GLU HGy 1.0 . 4.51 811 722 A 28 GLU H A 28 GLU HGx 1.0 . 4.51 812 723 A 28 GLU HA A 28 GLU HGy 1.0 . 3.73 813 723 A 28 GLU HA A 28 GLU HGx 1.0 . 3.73 814 724 A 29 VAL H A 28 GLU HGy 1.0 . 4.34 815 724 A 29 VAL H A 28 GLU HGx 1.0 . 4.34 816 725 A 29 VAL HGx% A 45 TYR HBx 1.0 . 5.34 817 725 A 29 VAL HGx% A 45 TYR HBy 1.0 . 5.34 818 726 A 30 GLN HA A 30 GLN HGx 1.0 . 3.70 819 726 A 30 GLN HA A 30 GLN HGy 1.0 . 3.70 820 727 A 32 THR HG2% A 44 LYS HBy 1.0 . 3.39 821 727 A 32 THR HG2% A 44 LYS HBx 1.0 . 3.39 822 728 A 33 SER H A 33 SER HBx 1.0 . 3.60 823 728 A 33 SER H A 33 SER HBy 1.0 . 3.60 824 729 A 34 TYR H A 33 SER HBx 1.0 . 3.46 825 729 A 34 TYR H A 33 SER HBy 1.0 . 3.46 826 730 A 34 TYR H A 34 TYR HBx 1.0 . 3.43 827 730 A 34 TYR H A 34 TYR HBy 1.0 . 3.43 828 731 A 41 TYR HD% A 34 TYR HBx 1.0 . 4.44 829 731 A 41 TYR HD% A 34 TYR HBy 1.0 . 4.44 830 732 A 34 TYR HE% A 36 ASP HBx 1.0 . 4.56 831 732 A 34 TYR HE% A 36 ASP HBy 1.0 . 4.56 832 733 A 34 TYR HE% A 39 HIS HBy 1.0 . 4.99 833 733 A 34 TYR HE% A 39 HIS HBx 1.0 . 4.99 834 734 A 36 ASP H A 35 ASP HBy 1.0 . 4.24 835 734 A 36 ASP H A 35 ASP HBx 1.0 . 4.24 836 735 A 38 SER H A 35 ASP HBy 1.0 . 4.48 837 735 A 38 SER H A 35 ASP HBx 1.0 . 4.48 838 736 A 39 HIS H A 35 ASP HBy 1.0 . 4.50 839 736 A 39 HIS H A 35 ASP HBx 1.0 . 4.50 840 737 A 40 LEU H A 35 ASP HBy 1.0 . 3.75 841 737 A 40 LEU H A 35 ASP HBx 1.0 . 3.75 842 738 A 37 ALA H A 36 ASP HBx 1.0 . 3.72 843 738 A 37 ALA H A 36 ASP HBy 1.0 . 3.72 844 739 A 38 SER H A 38 SER HBx 1.0 . 3.41 845 739 A 38 SER H A 38 SER HBy 1.0 . 3.41 846 740 A 38 SER HA A 40 LEU HDx% 1.0 . 4.73 847 740 A 38 SER HA A 40 LEU HDy% 1.0 . 4.73 848 741 A 40 LEU H A 38 SER HBx 1.0 . 4.59 849 741 A 40 LEU H A 38 SER HBy 1.0 . 4.59 850 742 A 40 LEU HG A 38 SER HBx 1.0 . 4.32 851 742 A 38 SER HBy A 40 LEU HG 1.0 . 4.32 852 743 A 38 SER HBx A 40 LEU HDx% 1.0 . 3.62 853 743 A 40 LEU HDy% A 38 SER HBx 1.0 . 3.62 854 743 A 38 SER HBy A 40 LEU HDy% 1.0 . 3.62 855 743 A 38 SER HBy A 40 LEU HDx% 1.0 . 3.62 856 744 A 40 LEU H A 40 LEU HBy 1.0 . 3.32 857 744 A 40 LEU H A 40 LEU HBx 1.0 . 3.32 858 745 A 40 LEU H A 40 LEU HDx% 1.0 . 4.03 859 745 A 40 LEU H A 40 LEU HDy% 1.0 . 4.03 860 746 A 40 LEU HA A 40 LEU HDx% 1.0 . 3.46 861 746 A 40 LEU HA A 40 LEU HDy% 1.0 . 3.46 862 747 A 41 TYR H A 40 LEU HBy 1.0 . 3.81 863 747 A 41 TYR H A 40 LEU HBx 1.0 . 3.81 864 748 A 52 ALA HB% A 40 LEU HBy 1.0 . 4.65 865 748 A 52 ALA HB% A 40 LEU HBx 1.0 . 4.65 866 749 A 53 LEU H A 40 LEU HBy 1.0 . 4.39 867 749 A 53 LEU H A 40 LEU HBx 1.0 . 4.39 868 750 A 41 TYR H A 40 LEU HDx% 1.0 . 4.19 869 750 A 41 TYR H A 40 LEU HDy% 1.0 . 4.19 870 751 A 52 ALA H A 40 LEU HDx% 1.0 . 5.44 871 751 A 52 ALA H A 40 LEU HDy% 1.0 . 5.44 872 752 A 52 ALA HB% A 40 LEU HDx% 1.0 . 3.16 873 752 A 52 ALA HB% A 40 LEU HDy% 1.0 . 3.16 874 753 A 53 LEU H A 40 LEU HDx% 1.0 . 4.40 875 753 A 53 LEU H A 40 LEU HDy% 1.0 . 4.40 876 754 A 41 TYR H A 41 TYR HBx 1.0 . 3.39 877 754 A 41 TYR H A 41 TYR HBy 1.0 . 3.39 878 755 A 42 THR H A 41 TYR HBx 1.0 . 3.85 879 755 A 42 THR H A 41 TYR HBy 1.0 . 3.85 880 756 A 43 VAL HGx% A 41 TYR HBx 1.0 . 3.77 881 756 A 43 VAL HGx% A 41 TYR HBy 1.0 . 3.77 882 757 A 53 LEU H A 41 TYR HBx 1.0 . 4.51 883 757 A 53 LEU H A 41 TYR HBy 1.0 . 4.51 884 758 A 53 LEU HDy% A 41 TYR HBx 1.0 . 4.85 885 758 A 53 LEU HDy% A 41 TYR HBy 1.0 . 4.85 886 759 A 58 ILE HD1% A 41 TYR HBx 1.0 . 3.77 887 759 A 58 ILE HD1% A 41 TYR HBy 1.0 . 3.77 888 760 A 41 TYR HD% A 55 GLU HGy 1.0 . 5.34 889 760 A 41 TYR HD% A 55 GLU HGx 1.0 . 5.34 890 761 A 41 TYR HE% A 55 GLU HBx 1.0 . 3.47 891 761 A 41 TYR HE% A 55 GLU HBy 1.0 . 3.47 892 762 A 41 TYR HE% A 55 GLU HGy 1.0 . 4.30 893 762 A 41 TYR HE% A 55 GLU HGx 1.0 . 4.30 894 763 A 42 THR HG2% A 50 GLU HBy 1.0 . 3.69 895 763 A 42 THR HG2% A 50 GLU HBx 1.0 . 3.69 896 764 A 43 VAL HGy% A 51 LEU HDx% 1.0 . 4.00 897 764 A 43 VAL HGy% A 51 LEU HDy% 1.0 . 4.00 898 765 A 44 LYS HA A 44 LYS HDx 1.0 . 4.49 899 765 A 44 LYS HA A 44 LYS HDy 1.0 . 4.49 900 766 A 44 LYS HA A 50 GLU HBy 1.0 . 4.58 901 766 A 44 LYS HA A 50 GLU HBx 1.0 . 4.58 902 767 A 44 LYS HA A 50 GLU HGy 1.0 . 4.46 903 767 A 44 LYS HA A 50 GLU HGx 1.0 . 4.46 904 768 A 45 TYR H A 44 LYS HBy 1.0 . 3.85 905 768 A 45 TYR H A 44 LYS HBx 1.0 . 3.85 906 769 A 50 GLU HA A 44 LYS HGx 1.0 . 5.02 907 769 A 50 GLU HA A 44 LYS HGy 1.0 . 5.02 908 770 A 45 TYR H A 45 TYR HBx 1.0 . 3.24 909 770 A 45 TYR H A 45 TYR HBy 1.0 . 3.24 910 771 A 46 LYS H A 45 TYR HBx 1.0 . 4.10 911 771 A 46 LYS H A 45 TYR HBy 1.0 . 4.10 912 772 A 45 TYR HBy A 46 LYS HGx 1.0 . 5.18 913 772 A 45 TYR HBx A 46 LYS HGx 1.0 . 5.18 914 772 A 46 LYS HGy A 45 TYR HBx 1.0 . 5.18 915 772 A 45 TYR HBy A 46 LYS HGy 1.0 . 5.18 916 773 A 47 ASP H A 45 TYR HBx 1.0 . 3.75 917 773 A 47 ASP H A 45 TYR HBy 1.0 . 3.75 918 774 A 48 GLY H A 45 TYR HBx 1.0 . 4.62 919 774 A 48 GLY H A 45 TYR HBy 1.0 . 4.62 920 775 A 49 THR H A 45 TYR HBx 1.0 . 4.61 921 775 A 49 THR H A 45 TYR HBy 1.0 . 4.61 922 776 A 49 THR HB A 45 TYR HBx 1.0 . 4.05 923 776 A 49 THR HB A 45 TYR HBy 1.0 . 4.05 924 777 A 45 TYR HD% A 47 ASP HBx 1.0 . 5.34 925 777 A 45 TYR HD% A 47 ASP HBy 1.0 . 5.34 926 778 A 45 TYR HD% A 51 LEU HDx% 1.0 . 5.27 927 778 A 45 TYR HD% A 51 LEU HDy% 1.0 . 5.27 928 779 A 45 TYR HE% A 51 LEU HDx% 1.0 . 4.23 929 779 A 45 TYR HE% A 51 LEU HDy% 1.0 . 4.23 930 780 A 46 LYS H A 46 LYS HBx 1.0 . 3.68 931 780 A 46 LYS H A 46 LYS HBy 1.0 . 3.68 932 781 A 47 ASP H A 46 LYS HBx 1.0 . 4.43 933 781 A 47 ASP H A 46 LYS HBy 1.0 . 4.43 934 782 A 47 ASP H A 46 LYS HGx 1.0 . 4.23 935 782 A 47 ASP H A 46 LYS HGy 1.0 . 4.23 936 783 A 47 ASP H A 47 ASP HBx 1.0 . 3.55 937 783 A 47 ASP H A 47 ASP HBy 1.0 . 3.55 938 784 A 49 THR H A 47 ASP HBx 1.0 . 4.74 939 784 A 49 THR H A 47 ASP HBy 1.0 . 4.74 940 785 A 49 THR HB A 47 ASP HBx 1.0 . 4.48 941 785 A 49 THR HB A 47 ASP HBy 1.0 . 4.48 942 786 A 49 THR HG2% A 51 LEU HDx% 1.0 . 3.82 943 786 A 49 THR HG2% A 51 LEU HDy% 1.0 . 3.82 944 787 A 50 GLU H A 50 GLU HGy 1.0 . 3.85 945 787 A 50 GLU H A 50 GLU HGx 1.0 . 3.85 946 788 A 50 GLU HA A 50 GLU HGy 1.0 . 3.69 947 788 A 50 GLU HA A 50 GLU HGx 1.0 . 3.69 948 789 A 51 LEU H A 50 GLU HBy 1.0 . 3.79 949 789 A 51 LEU H A 50 GLU HBx 1.0 . 3.79 950 790 A 51 LEU H A 50 GLU HGy 1.0 . 4.59 951 790 A 51 LEU H A 50 GLU HGx 1.0 . 4.59 952 791 A 51 LEU H A 51 LEU HDx% 1.0 . 4.08 953 791 A 51 LEU H A 51 LEU HDy% 1.0 . 4.08 954 792 A 51 LEU HA A 51 LEU HDx% 1.0 . 3.53 955 792 A 51 LEU HA A 51 LEU HDy% 1.0 . 3.53 956 793 A 52 ALA H A 51 LEU HDx% 1.0 . 4.00 957 793 A 52 ALA H A 51 LEU HDy% 1.0 . 4.00 958 794 A 53 LEU HDx% A 51 LEU HDx% 1.0 . 4.30 959 794 A 53 LEU HDx% A 51 LEU HDy% 1.0 . 4.30 960 795 A 53 LEU HBy A 57 ASP HBx 1.0 . 3.97 961 795 A 53 LEU HBy A 57 ASP HBy 1.0 . 3.97 962 796 A 53 LEU HDy% A 57 ASP HBx 1.0 . 4.24 963 796 A 53 LEU HDy% A 57 ASP HBy 1.0 . 4.24 964 797 A 53 LEU HDx% A 57 ASP HBx 1.0 . 4.49 965 797 A 53 LEU HDx% A 57 ASP HBy 1.0 . 4.49 966 798 A 54 LYS H A 54 LYS HBx 1.0 . 3.38 967 798 A 54 LYS H A 54 LYS HBy 1.0 . 3.38 968 799 A 54 LYS H A 54 LYS HGy 1.0 . 3.78 969 799 A 54 LYS H A 54 LYS HGx 1.0 . 3.78 970 800 A 54 LYS H A 57 ASP HBx 1.0 . 3.80 971 800 A 54 LYS H A 57 ASP HBy 1.0 . 3.80 972 801 A 54 LYS HA A 54 LYS HGy 1.0 . 3.74 973 801 A 54 LYS HA A 54 LYS HGx 1.0 . 3.74 974 802 A 55 GLU H A 54 LYS HBx 1.0 . 3.56 975 802 A 55 GLU H A 54 LYS HBy 1.0 . 3.56 976 803 A 56 SER H A 54 LYS HBx 1.0 . 3.62 977 803 A 56 SER H A 54 LYS HBy 1.0 . 3.62 978 804 A 55 GLU H A 54 LYS HGy 1.0 . 4.85 979 804 A 55 GLU H A 54 LYS HGx 1.0 . 4.85 980 805 A 55 GLU H A 55 GLU HBx 1.0 . 3.34 981 805 A 55 GLU H A 55 GLU HBy 1.0 . 3.34 982 806 A 55 GLU H A 55 GLU HGy 1.0 . 4.19 983 806 A 55 GLU H A 55 GLU HGx 1.0 . 4.19 984 807 A 56 SER H A 55 GLU HGy 1.0 . 4.30 985 807 A 56 SER H A 55 GLU HGx 1.0 . 4.30 986 808 A 56 SER H A 56 SER HBx 1.0 . 3.38 987 808 A 56 SER H A 56 SER HBy 1.0 . 3.38 988 809 A 57 ASP H A 57 ASP HBx 1.0 . 3.28 989 809 A 57 ASP H A 57 ASP HBy 1.0 . 3.28 990 810 A 58 ILE H A 57 ASP HBx 1.0 . 4.28 991 810 A 58 ILE H A 57 ASP HBy 1.0 . 4.28 992 811 A 58 ILE H A 58 ILE HG1x 1.0 . 3.68 993 811 A 58 ILE H A 58 ILE HG1y 1.0 . 3.68 994 812 A 59 ARG H A 59 ARG HBx 1.0 . 3.63 995 812 A 59 ARG H A 59 ARG HBy 1.0 . 3.63 996 813 A 59 ARG HA A 59 ARG HGx 1.0 . 3.50 997 813 A 59 ARG HA A 59 ARG HGy 1.0 . 3.50 998 814 A 60 LEU H A 59 ARG HBx 1.0 . 3.86 999 814 A 60 LEU H A 59 ARG HBy 1.0 . 3.86 1000 815 A 60 LEU H A 60 LEU HBx 1.0 . 2.96 1001 815 A 60 LEU H A 60 LEU HBy 1.0 . 2.96 1002 816 A 60 LEU H A 60 LEU HDx% 1.0 . 4.11 1003 816 A 60 LEU H A 60 LEU HDy% 1.0 . 4.11 1004 817 A 60 LEU HA A 60 LEU HDx% 1.0 . 3.54 1005 817 A 60 LEU HA A 60 LEU HDy% 1.0 . 3.54 1006 818 A 60 LEU HBy A 60 LEU HDx% 1.0 . 2.82 1007 818 A 60 LEU HBx A 60 LEU HDx% 1.0 . 2.82 1008 818 A 60 LEU HDy% A 60 LEU HBx 1.0 . 2.82 1009 818 A 60 LEU HDy% A 60 LEU HBy 1.0 . 2.82 1010 819 A 61 GLN H A 60 LEU HBx 1.0 . 3.97 1011 819 A 61 GLN H A 60 LEU HBy 1.0 . 3.97 1012 820 A 61 GLN H A 60 LEU HDx% 1.0 . 4.55 1013 820 A 61 GLN H A 60 LEU HDy% 1.0 . 4.55 1014 821 A 61 GLN H A 61 GLN HBy 1.0 . 3.39 1015 821 A 61 GLN H A 61 GLN HBx 1.0 . 3.39 1016 822 A 61 GLN H A 61 GLN HGx 1.0 . 4.21 1017 822 A 61 GLN H A 61 GLN HGy 1.0 . 4.21 1018 823 A 61 GLN HA A 61 GLN HGx 1.0 . 3.54 1019 823 A 61 GLN HGy A 61 GLN HA 1.0 . 3.54 1020 824 A 64 PHE H A 64 PHE HBy 1.0 . 3.61 1021 824 A 64 PHE H A 64 PHE HBx 1.0 . 3.61 1022 825 A 65 LYS H A 65 LYS HGx 1.0 . 4.78 1023 825 A 65 LYS H A 65 LYS HGy 1.0 . 4.78 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 16 VAL H A 29 VAL O 1.0 . 2.0 2 2 A 29 VAL O A 16 VAL N 1.0 . 3.0 3 3 A 17 MET H A 59 ARG O 1.0 . 2.0 4 4 A 59 ARG O A 17 MET N 1.0 . 3.0 5 5 A 18 GLY H A 27 TYR O 1.0 . 2.0 6 6 A 27 TYR O A 18 GLY N 1.0 . 3.0 7 7 A 27 TYR H A 18 GLY O 1.0 . 2.0 8 8 A 18 GLY O A 27 TYR N 1.0 . 3.0 9 9 A 31 VAL H A 14 GLU O 1.0 . 2.0 10 10 A 14 GLU O A 31 VAL N 1.0 . 3.0 11 11 A 32 THR H A 42 THR O 1.0 . 2.0 12 12 A 42 THR O A 32 THR N 1.0 . 3.0 13 13 A 33 SER H A 42 THR O 1.0 . 2.0 14 14 A 42 THR O A 33 SER N 1.0 . 3.0 15 15 A 35 ASP H A 40 LEU O 1.0 . 2.0 16 16 A 40 LEU O A 35 ASP N 1.0 . 3.0 17 17 A 40 LEU H A 35 ASP O 1.0 . 2.0 18 18 A 35 ASP O A 40 LEU N 1.0 . 3.0 19 19 A 41 TYR H A 53 LEU O 1.0 . 2.0 20 20 A 53 LEU O A 41 TYR N 1.0 . 3.0 21 21 A 42 THR H A 33 SER O 1.0 . 2.0 22 22 A 33 SER O A 42 THR N 1.0 . 3.0 23 23 A 43 VAL H A 51 LEU O 1.0 . 2.0 24 24 A 51 LEU O A 43 VAL N 1.0 . 3.0 25 25 A 44 LYS H A 30 GLN O 1.0 . 2.0 26 26 A 30 GLN O A 44 LYS N 1.0 . 3.0 27 27 A 29 VAL H A 16 VAL O 1.0 . 2.0 28 28 A 16 VAL O A 29 VAL N 1.0 . 3.0 29 29 A 51 LEU H A 43 VAL O 1.0 . 2.0 30 30 A 43 VAL O A 51 LEU N 1.0 . 3.0 31 31 A 53 LEU H A 41 TYR O 1.0 . 2.0 32 32 A 41 TYR O A 53 LEU N 1.0 . 3.0 33 33 A 59 ARG H A 17 MET O 1.0 . 2.0 34 34 A 17 MET O A 59 ARG N 1.0 . 3.0 35 35 A 58 ILE H A 55 GLU O 1.0 . 2.0 36 36 A 55 GLU O A 58 ILE N 1.0 . 3.0 37 37 A 45 TYR H A 49 THR O 1.0 . 2.0 38 38 A 49 THR O A 45 TYR N 1.0 . 3.0 39 39 A 19 ARG H A 57 ASP O 1.0 . 2.0 40 40 A 57 ASP O A 19 ARG N 1.0 . 3.0 41 41 A 30 GLN H A 44 LYS O 1.0 . 2.0 42 42 A 44 LYS O A 30 GLN N 1.0 . 3.0 43 43 A 20 TRP H A 25 LEU O 1.0 . 2.0 44 44 A 25 LEU O A 20 TRP N 1.0 . 3.0 45 45 A 16 VAL H A 29 VAL O 1.0 . 1.8 46 46 A 29 VAL O A 16 VAL N 1.0 . 2.7 47 47 A 17 MET H A 59 ARG O 1.0 . 1.8 48 48 A 59 ARG O A 17 MET N 1.0 . 2.7 49 49 A 18 GLY H A 27 TYR O 1.0 . 1.8 50 50 A 27 TYR O A 18 GLY N 1.0 . 2.7 51 51 A 27 TYR H A 18 GLY O 1.0 . 1.8 52 52 A 18 GLY O A 27 TYR N 1.0 . 2.7 53 53 A 31 VAL H A 14 GLU O 1.0 . 1.8 54 54 A 14 GLU O A 31 VAL N 1.0 . 2.7 55 55 A 32 THR H A 42 THR O 1.0 . 1.8 56 56 A 42 THR O A 32 THR N 1.0 . 2.7 57 57 A 33 SER H A 42 THR O 1.0 . 1.8 58 58 A 42 THR O A 33 SER N 1.0 . 2.7 59 59 A 35 ASP H A 40 LEU O 1.0 . 1.8 60 60 A 40 LEU O A 35 ASP N 1.0 . 2.7 61 61 A 40 LEU H A 35 ASP O 1.0 . 1.8 62 62 A 35 ASP O A 40 LEU N 1.0 . 2.7 63 63 A 41 TYR H A 53 LEU O 1.0 . 1.8 64 64 A 53 LEU O A 41 TYR N 1.0 . 2.7 65 65 A 42 THR H A 33 SER O 1.0 . 1.8 66 66 A 33 SER O A 42 THR N 1.0 . 2.7 67 67 A 43 VAL H A 51 LEU O 1.0 . 1.8 68 68 A 51 LEU O A 43 VAL N 1.0 . 2.7 69 69 A 44 LYS H A 30 GLN O 1.0 . 1.8 70 70 A 30 GLN O A 44 LYS N 1.0 . 2.7 71 71 A 29 VAL H A 16 VAL O 1.0 . 1.8 72 72 A 16 VAL O A 29 VAL N 1.0 . 2.7 73 73 A 51 LEU H A 43 VAL O 1.0 . 1.8 74 74 A 43 VAL O A 51 LEU N 1.0 . 2.7 75 75 A 53 LEU H A 41 TYR O 1.0 . 1.8 76 76 A 41 TYR O A 53 LEU N 1.0 . 2.7 77 77 A 59 ARG H A 17 MET O 1.0 . 1.8 78 78 A 17 MET O A 59 ARG N 1.0 . 2.7 79 79 A 58 ILE H A 55 GLU O 1.0 . 1.8 80 80 A 55 GLU O A 58 ILE N 1.0 . 2.7 81 81 A 45 TYR H A 49 THR O 1.0 . 1.8 82 82 A 49 THR O A 45 TYR N 1.0 . 2.7 83 83 A 19 ARG H A 57 ASP O 1.0 . 1.8 84 84 A 57 ASP O A 19 ARG N 1.0 . 2.7 85 85 A 30 GLN H A 44 LYS O 1.0 . 1.8 86 86 A 44 LYS O A 30 GLN N 1.0 . 2.7 87 87 A 20 TRP H A 25 LEU O 1.0 . 1.8 88 88 A 25 LEU O A 20 TRP N 1.0 . 2.7 stop_ save_