data_nef_c17324_2mc3 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 -5 GLY start . false 2 A -4 PRO middle . false 3 A -3 THR middle . . 4 A -2 MET middle . . 5 A -1 GLY middle . false 6 A 0 SER middle . . 7 A 1 GLY middle . false 8 A 2 SER middle . . 9 A 3 TYR middle . . 10 A 4 TRP middle . . 11 A 5 PRO middle . false 12 A 6 ALA middle . . 13 A 7 ARG middle . . 14 A 8 HIS middle . . 15 A 9 SER middle . . 16 A 10 GLY middle . false 17 A 11 ALA middle . . 18 A 12 ARG middle . . 19 A 13 VAL middle . . 20 A 14 ILE middle . . 21 A 15 LEU middle . . 22 A 16 LEU middle . . 23 A 17 VAL middle . . 24 A 18 LEU middle . . 25 A 19 TYR middle . . 26 A 20 ARG middle . . 27 A 21 GLU middle . . 28 A 22 HIS middle . . 29 A 23 LEU middle . . 30 A 24 ASN middle . . 31 A 25 PRO middle . false 32 A 26 ASN middle . . 33 A 27 GLY middle . false 34 A 28 HIS middle . . 35 A 29 HIS middle . . 36 A 30 PHE middle . . 37 A 31 LEU middle . . 38 A 32 THR middle . . 39 A 33 LYS middle . . 40 A 34 GLU middle . . 41 A 35 GLU middle . . 42 A 36 LEU middle . . 43 A 37 LEU middle . . 44 A 38 GLN middle . . 45 A 39 ARG middle . . 46 A 40 CYS middle . . 47 A 41 ALA middle . . 48 A 42 GLN middle . . 49 A 43 LYS middle . . 50 A 44 SER middle . . 51 A 45 PRO middle . false 52 A 46 ARG middle . . 53 A 47 VAL middle . . 54 A 48 ALA middle . . 55 A 49 PRO middle . false 56 A 50 GLY middle . false 57 A 51 SER middle . . 58 A 52 ALA middle . . 59 A 53 PRO middle . false 60 A 54 PRO middle . false 61 A 55 TRP middle . . 62 A 56 PRO middle . false 63 A 57 ALA middle . . 64 A 58 LEU middle . . 65 A 59 ARG middle . . 66 A 60 SER middle . . 67 A 61 LEU middle . . 68 A 62 LEU middle . . 69 A 63 HIS middle . . 70 A 64 ARG middle . . 71 A 65 ASN middle . . 72 A 66 LEU middle . . 73 A 67 VAL middle . true 74 A 68 LEU middle . . 75 A 69 ARG middle . . 76 A 70 THR middle . . 77 A 71 HIS middle . . 78 A 72 GLN middle . . 79 A 73 PRO middle . false 80 A 74 ALA middle . . 81 A 75 ARG middle . . 82 A 76 TYR middle . . 83 A 77 SER middle . . 84 A 78 LEU middle . . 85 A 79 THR middle . . 86 A 80 PRO middle . false 87 A 81 GLU middle . . 88 A 82 GLY middle . false 89 A 83 LEU middle . . 90 A 84 GLU middle . . 91 A 85 LEU middle . . 92 A 86 ALA middle . . 93 A 87 GLN middle . . 94 A 88 LYS middle . . 95 A 89 LEU middle . . 96 A 90 ALA middle . . 97 A 91 GLU middle . . 98 A 92 SER middle . . 99 A 93 GLU middle . . 100 A 94 GLY middle . false 101 A 95 LEU middle . . 102 A 96 SER middle . . 103 A 97 LEU middle . . 104 A 98 LEU middle . . 105 A 99 ASN middle . . 106 A 100 VAL middle . . 107 A 101 GLY middle . false 108 A 102 ILE middle . . 109 A 103 GLY end . false 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 HA2 H 1 3.923 0.02 A 1 GLY HA3 H 1 3.923 0.02 A 1 GLY CA C 13 43.269 0.4 A 2 SER HA H 1 4.486 0.02 A 2 SER HB2 H 1 3.879 0.02 A 2 SER HB3 H 1 3.879 0.02 A 2 SER CA C 13 58.371 0.4 A 2 SER CB C 13 63.526 0.4 A 3 TYR HA H 1 4.546 0.02 A 3 TYR HBx H 1 2.768 0.02 A 3 TYR HBy H 1 3.046 0.02 A 3 TYR HD1 H 1 6.932 0.02 A 3 TYR HD2 H 1 6.932 0.02 A 3 TYR HE1 H 1 6.423 0.02 A 3 TYR HE2 H 1 6.423 0.02 A 3 TYR C C 13 174.407 0.4 A 3 TYR CA C 13 58.464 0.4 A 3 TYR CB C 13 39.465 0.4 A 3 TYR CD1 C 13 133.087 0.4 A 3 TYR CD2 C 13 133.087 0.4 A 3 TYR CE1 C 13 117.385 0.4 A 3 TYR CE2 C 13 117.385 0.4 A 4 TRP H H 1 8.193 0.02 A 4 TRP HA H 1 4.751 0.02 A 4 TRP HBx H 1 2.793 0.02 A 4 TRP HBy H 1 3.066 0.02 A 4 TRP HD1 H 1 6.892 0.02 A 4 TRP HE1 H 1 9.885 0.02 A 4 TRP HE3 H 1 7.582 0.02 A 4 TRP HH2 H 1 6.857 0.02 A 4 TRP HZ2 H 1 7.401 0.02 A 4 TRP HZ3 H 1 6.867 0.02 A 4 TRP CA C 13 53.266 0.4 A 4 TRP CB C 13 30.524 0.4 A 4 TRP CD1 C 13 127.405 0.4 A 4 TRP CE3 C 13 121.441 0.4 A 4 TRP CH2 C 13 123.563 0.4 A 4 TRP CZ2 C 13 114.559 0.4 A 4 TRP CZ3 C 13 121.246 0.4 A 4 TRP N N 15 128.915 0.1 A 4 TRP NE1 N 15 128.501 0.1 A 5 PRO HA H 1 4.021 0.02 A 5 PRO HBx H 1 1.558 0.02 A 5 PRO HBy H 1 1.929 0.02 A 5 PRO HDx H 1 2.449 0.02 A 5 PRO HDy H 1 2.744 0.02 A 5 PRO HG2 H 1 1.339 0.02 A 5 PRO HG3 H 1 1.339 0.02 A 5 PRO C C 13 176.371 0.4 A 5 PRO CA C 13 61.993 0.4 A 5 PRO CB C 13 31.553 0.4 A 5 PRO CD C 13 49.226 0.4 A 5 PRO CG C 13 26.805 0.4 A 6 ALA H H 1 8.585 0.02 A 6 ALA HA H 1 4.077 0.02 A 6 ALA HB% H 1 1.469 0.02 A 6 ALA CA C 13 52.199 0.4 A 6 ALA CB C 13 19.964 0.4 A 6 ALA N N 15 126.354 0.1 A 7 ARG HA H 1 3.501 0.02 A 7 ARG HBx H 1 1.378 0.02 A 7 ARG HBy H 1 1.598 0.02 A 7 ARG HD2 H 1 3.055 0.02 A 7 ARG HD3 H 1 3.055 0.02 A 7 ARG HGx H 1 1.025 0.02 A 7 ARG HGy H 1 1.45 0.02 A 7 ARG CA C 13 59.051 0.4 A 7 ARG CB C 13 29.978 0.4 A 7 ARG CD C 13 43.294 0.4 A 7 ARG CG C 13 27.472 0.4 A 8 HIS HA H 1 4.303 0.02 A 8 HIS HBx H 1 3.235 0.02 A 8 HIS HBy H 1 3.378 0.02 A 8 HIS HD2 H 1 6.949 0.02 A 8 HIS C C 13 174.736 0.4 A 8 HIS CA C 13 57.105 0.4 A 8 HIS CB C 13 28.929 0.4 A 9 SER H H 1 7.797 0.02 A 9 SER HA H 1 4.424 0.02 A 9 SER HBx H 1 3.86 0.02 A 9 SER HBy H 1 4.324 0.02 A 9 SER CA C 13 58.411 0.4 A 9 SER CB C 13 65.289 0.4 A 9 SER N N 15 115.5 0.1 A 10 GLY HA2 H 1 3.823 0.02 A 10 GLY HA3 H 1 3.823 0.02 A 10 GLY C C 13 175.547 0.4 A 10 GLY CA C 13 47.461 0.4 A 11 ALA H H 1 8.533 0.02 A 11 ALA HA H 1 3.816 0.02 A 11 ALA HB% H 1 1.376 0.02 A 11 ALA C C 13 178.486 0.4 A 11 ALA CA C 13 55.104 0.4 A 11 ALA CB C 13 18.973 0.4 A 11 ALA N N 15 121.001 0.1 A 12 ARG H H 1 7.405 0.02 A 12 ARG HA H 1 3.466 0.02 A 12 ARG HBx H 1 1.343 0.02 A 12 ARG HBy H 1 1.771 0.02 A 12 ARG HDx H 1 2.97 0.02 A 12 ARG HDy H 1 3.338 0.02 A 12 ARG HGx H 1 1.146 0.02 A 12 ARG HGy H 1 1.512 0.02 A 12 ARG C C 13 176.933 0.4 A 12 ARG CA C 13 60.14 0.4 A 12 ARG CB C 13 30.742 0.4 A 12 ARG CD C 13 43.94 0.4 A 12 ARG CG C 13 28.39 0.4 A 12 ARG N N 15 115.319 0.1 A 13 VAL H H 1 7.742 0.02 A 13 VAL HA H 1 3.514 0.02 A 13 VAL HB H 1 2.191 0.02 A 13 VAL HGx% H 1 1.049 0.02 A 13 VAL HGy% H 1 1.075 0.02 A 13 VAL C C 13 177.735 0.4 A 13 VAL CA C 13 67.072 0.4 A 13 VAL CB C 13 31.788 0.4 A 13 VAL CGy C 13 22.907 0.4 A 13 VAL CGx C 13 21.573 0.4 A 13 VAL N N 15 117.05 0.1 A 14 ILE H H 1 7.887 0.02 A 14 ILE HA H 1 3.385 0.02 A 14 ILE HB H 1 1.534 0.02 A 14 ILE HD1% H 1 0.159 0.02 A 14 ILE HG1x H 1 0.72 0.02 A 14 ILE HG1y H 1 1.781 0.02 A 14 ILE HG2% H 1 0.525 0.02 A 14 ILE C C 13 177.697 0.4 A 14 ILE CA C 13 66.055 0.4 A 14 ILE CB C 13 38.368 0.4 A 14 ILE CD1 C 13 14.431 0.4 A 14 ILE CG1 C 13 30.187 0.4 A 14 ILE CG2 C 13 18.145 0.4 A 14 ILE N N 15 118.375 0.1 A 15 LEU H H 1 7.454 0.02 A 15 LEU HA H 1 3.8 0.02 A 15 LEU HBx H 1 0.987 0.02 A 15 LEU HBy H 1 1.857 0.02 A 15 LEU HDx% H 1 0.632 0.02 A 15 LEU HDy% H 1 0.703 0.02 A 15 LEU C C 13 178.928 0.4 A 15 LEU CA C 13 58.684 0.4 A 15 LEU CB C 13 42.038 0.4 A 15 LEU CDy C 13 27.153 0.4 A 15 LEU CDx C 13 23.741 0.4 A 15 LEU N N 15 116.518 0.1 A 16 LEU H H 1 8.191 0.02 A 16 LEU HA H 1 4.158 0.02 A 16 LEU HBx H 1 1.361 0.02 A 16 LEU HBy H 1 1.983 0.02 A 16 LEU HDx% H 1 0.678 0.02 A 16 LEU HDy% H 1 0.719 0.02 A 16 LEU HG H 1 1.72 0.02 A 16 LEU C C 13 180.202 0.4 A 16 LEU CA C 13 58.154 0.4 A 16 LEU CB C 13 41.598 0.4 A 16 LEU CDx C 13 22.486 0.4 A 16 LEU CDy C 13 26.116 0.4 A 16 LEU CG C 13 26.733 0.4 A 16 LEU N N 15 117.134 0.1 A 17 VAL H H 1 8.718 0.02 A 17 VAL HA H 1 3.722 0.02 A 17 VAL HB H 1 2.187 0.02 A 17 VAL HGx% H 1 0.886 0.02 A 17 VAL HGy% H 1 1.069 0.02 A 17 VAL C C 13 179.958 0.4 A 17 VAL CA C 13 66.973 0.4 A 17 VAL CB C 13 31.789 0.4 A 17 VAL CGx C 13 22.794 0.4 A 17 VAL CGy C 13 23.871 0.4 A 17 VAL N N 15 122.275 0.1 A 18 LEU H H 1 8.282 0.02 A 18 LEU HA H 1 4.05 0.02 A 18 LEU HBx H 1 1.391 0.02 A 18 LEU HBy H 1 2.005 0.02 A 18 LEU HDx% H 1 0.695 0.02 A 18 LEU HDy% H 1 0.904 0.02 A 18 LEU HG H 1 1.71 0.02 A 18 LEU C C 13 179.857 0.4 A 18 LEU CA C 13 58.137 0.4 A 18 LEU CB C 13 41.848 0.4 A 18 LEU CDy C 13 27.563 0.4 A 18 LEU CDx C 13 24.059 0.4 A 18 LEU CG C 13 27.536 0.4 A 18 LEU N N 15 120.133 0.1 A 19 TYR H H 1 8.805 0.02 A 19 TYR HA H 1 4.13 0.02 A 19 TYR HBx H 1 3.037 0.02 A 19 TYR HBy H 1 3.178 0.02 A 19 TYR HD1 H 1 6.75 0.02 A 19 TYR HD2 H 1 6.75 0.02 A 19 TYR HE1 H 1 6.649 0.02 A 19 TYR HE2 H 1 6.649 0.02 A 19 TYR C C 13 176.614 0.4 A 19 TYR CA C 13 61 0.4 A 19 TYR CB C 13 39.379 0.4 A 19 TYR CD1 C 13 132.18 0.4 A 19 TYR CD2 C 13 132.18 0.4 A 19 TYR CE1 C 13 118.045 0.4 A 19 TYR CE2 C 13 118.045 0.4 A 19 TYR N N 15 122.584 0.1 A 20 ARG H H 1 8.227 0.02 A 20 ARG HA H 1 3.672 0.02 A 20 ARG HB2 H 1 1.941 0.02 A 20 ARG HB3 H 1 1.941 0.02 A 20 ARG HD2 H 1 3.206 0.02 A 20 ARG HD3 H 1 3.206 0.02 A 20 ARG HGx H 1 1.667 0.02 A 20 ARG HGy H 1 1.855 0.02 A 20 ARG C C 13 179.233 0.4 A 20 ARG CA C 13 59.738 0.4 A 20 ARG CB C 13 29.772 0.4 A 20 ARG CD C 13 43.505 0.4 A 20 ARG CG C 13 28.267 0.4 A 20 ARG N N 15 117.419 0.1 A 21 GLU H H 1 7.386 0.02 A 21 GLU HA H 1 4.239 0.02 A 21 GLU HBx H 1 1.988 0.02 A 21 GLU HBy H 1 2.096 0.02 A 21 GLU HG2 H 1 2.274 0.02 A 21 GLU HG3 H 1 2.274 0.02 A 21 GLU C C 13 178.697 0.4 A 21 GLU CA C 13 58.222 0.4 A 21 GLU CB C 13 28.804 0.4 A 21 GLU CG C 13 35.392 0.4 A 21 GLU N N 15 117.638 0.1 A 22 HIS H H 1 8.107 0.02 A 22 HIS HA H 1 3.865 0.02 A 22 HIS HBx H 1 3.152 0.02 A 22 HIS HBy H 1 3.266 0.02 A 22 HIS HD2 H 1 6.675 0.02 A 22 HIS HE1 H 1 7.751 0.02 A 22 HIS C C 13 176.479 0.4 A 22 HIS CA C 13 59.874 0.4 A 22 HIS CB C 13 30.121 0.4 A 22 HIS CE1 C 13 138.379 0.4 A 22 HIS N N 15 120.683 0.1 A 23 LEU H H 1 7.302 0.02 A 23 LEU HA H 1 3.892 0.02 A 23 LEU HB2 H 1 1.433 0.02 A 23 LEU HB3 H 1 1.433 0.02 A 23 LEU HDx% H 1 0.444 0.02 A 23 LEU HDy% H 1 0.628 0.02 A 23 LEU HG H 1 1.23 0.02 A 23 LEU C C 13 177.136 0.4 A 23 LEU CA C 13 54.974 0.4 A 23 LEU CB C 13 42.524 0.4 A 23 LEU CDy C 13 25.454 0.4 A 23 LEU CDx C 13 22.242 0.4 A 23 LEU CG C 13 26.55 0.4 A 23 LEU N N 15 115.983 0.1 A 24 ASN H H 1 7.3 0.02 A 24 ASN HA H 1 4.757 0.02 A 24 ASN HBx H 1 2.86 0.02 A 24 ASN HBy H 1 3.1 0.02 A 24 ASN HD2x H 1 6.978 0.02 A 24 ASN HD2y H 1 7.918 0.02 A 24 ASN CA C 13 50.698 0.4 A 24 ASN CB C 13 38.877 0.4 A 24 ASN N N 15 120.037 0.1 A 24 ASN ND2 N 15 112.844 0.1 A 25 PRO HA H 1 4.42 0.02 A 25 PRO HBx H 1 1.926 0.02 A 25 PRO HBy H 1 2.311 0.02 A 25 PRO HDx H 1 3.895 0.02 A 25 PRO HDy H 1 4.078 0.02 A 25 PRO HG2 H 1 1.994 0.02 A 25 PRO HG3 H 1 1.994 0.02 A 25 PRO C C 13 177.332 0.4 A 25 PRO CA C 13 64.531 0.4 A 25 PRO CB C 13 32.146 0.4 A 25 PRO CD C 13 51.227 0.4 A 25 PRO CG C 13 27.1 0.4 A 26 ASN H H 1 7.999 0.02 A 26 ASN HA H 1 4.816 0.02 A 26 ASN HBx H 1 2.544 0.02 A 26 ASN HBy H 1 2.891 0.02 A 26 ASN HD2x H 1 6.975 0.02 A 26 ASN HD2y H 1 7.639 0.02 A 26 ASN C C 13 175.357 0.4 A 26 ASN CA C 13 52.558 0.4 A 26 ASN CB C 13 39.12 0.4 A 26 ASN N N 15 115.359 0.1 A 26 ASN ND2 N 15 113.858 0.1 A 27 GLY H H 1 7.541 0.02 A 27 GLY HA2 H 1 3.891 0.02 A 27 GLY HA3 H 1 3.891 0.02 A 27 GLY C C 13 173.105 0.4 A 27 GLY CA C 13 44.761 0.4 A 27 GLY N N 15 107.959 0.1 A 28 HIS H H 1 8.588 0.02 A 28 HIS HA H 1 4.478 0.02 A 28 HIS HBx H 1 2.718 0.02 A 28 HIS HBy H 1 2.849 0.02 A 28 HIS HD2 H 1 6.943 0.02 A 28 HIS CA C 13 55.375 0.4 A 28 HIS CB C 13 29.733 0.4 A 28 HIS N N 15 118.544 0.1 A 29 HIS HA H 1 4.212 0.02 A 29 HIS HBx H 1 3.144 0.02 A 29 HIS HBy H 1 3.355 0.02 A 29 HIS HD2 H 1 6.93 0.02 A 29 HIS C C 13 173.68 0.4 A 29 HIS CA C 13 56.796 0.4 A 29 HIS CB C 13 28.195 0.4 A 30 PHE H H 1 7.53 0.02 A 30 PHE HA H 1 5.116 0.02 A 30 PHE HBx H 1 2.886 0.02 A 30 PHE HBy H 1 2.943 0.02 A 30 PHE HD1 H 1 6.956 0.02 A 30 PHE HD2 H 1 6.956 0.02 A 30 PHE HE1 H 1 7.216 0.02 A 30 PHE HE2 H 1 7.216 0.02 A 30 PHE HZ H 1 7.079 0.02 A 30 PHE C C 13 174.589 0.4 A 30 PHE CA C 13 55.863 0.4 A 30 PHE CB C 13 41.382 0.4 A 30 PHE CD1 C 13 132.514 0.4 A 30 PHE CD2 C 13 132.514 0.4 A 30 PHE CE1 C 13 131.498 0.4 A 30 PHE CE2 C 13 131.498 0.4 A 30 PHE CZ C 13 130.031 0.4 A 30 PHE N N 15 115.538 0.1 A 31 LEU H H 1 8.846 0.02 A 31 LEU HA H 1 5.138 0.02 A 31 LEU HBx H 1 1.604 0.02 A 31 LEU HBy H 1 1.718 0.02 A 31 LEU HDx% H 1 0.768 0.02 A 31 LEU HDy% H 1 0.839 0.02 A 31 LEU HG H 1 1.603 0.02 A 31 LEU C C 13 177.833 0.4 A 31 LEU CA C 13 53.811 0.4 A 31 LEU CB C 13 46.648 0.4 A 31 LEU CDy C 13 27.444 0.4 A 31 LEU CDx C 13 23.627 0.4 A 31 LEU CG C 13 27.365 0.4 A 31 LEU N N 15 119.697 0.1 A 32 THR H H 1 9.149 0.02 A 32 THR HA H 1 5.053 0.02 A 32 THR HB H 1 4.931 0.02 A 32 THR HG2% H 1 1.439 0.02 A 32 THR C C 13 175.427 0.4 A 32 THR CA C 13 61.211 0.4 A 32 THR CB C 13 71.218 0.4 A 32 THR CG2 C 13 21.946 0.4 A 32 THR N N 15 113.24 0.1 A 33 LYS H H 1 9.551 0.02 A 33 LYS HA H 1 3.862 0.02 A 33 LYS HBx H 1 1.966 0.02 A 33 LYS HBy H 1 2.203 0.02 A 33 LYS HDx H 1 1.308 0.02 A 33 LYS HDy H 1 1.385 0.02 A 33 LYS HE2 H 1 2.74 0.02 A 33 LYS HE3 H 1 2.74 0.02 A 33 LYS HG2 H 1 1.728 0.02 A 33 LYS HG3 H 1 1.728 0.02 A 33 LYS C C 13 177.939 0.4 A 33 LYS CA C 13 61.096 0.4 A 33 LYS CB C 13 32.687 0.4 A 33 LYS CD C 13 25.703 0.4 A 33 LYS CE C 13 41.919 0.4 A 33 LYS CG C 13 29.69 0.4 A 33 LYS N N 15 121.119 0.1 A 34 GLU H H 1 8.879 0.02 A 34 GLU HA H 1 3.962 0.02 A 34 GLU HBx H 1 1.957 0.02 A 34 GLU HBy H 1 2.109 0.02 A 34 GLU HGx H 1 2.253 0.02 A 34 GLU HGy H 1 2.464 0.02 A 34 GLU C C 13 179.68 0.4 A 34 GLU CA C 13 60.808 0.4 A 34 GLU CB C 13 28.953 0.4 A 34 GLU CG C 13 37.323 0.4 A 34 GLU N N 15 116.386 0.1 A 35 GLU H H 1 7.684 0.02 A 35 GLU HA H 1 4.061 0.02 A 35 GLU HBx H 1 1.93 0.02 A 35 GLU HBy H 1 2.355 0.02 A 35 GLU C C 13 179.293 0.4 A 35 GLU CB C 13 31.337 0.4 A 35 GLU N N 15 119.818 0.1 A 36 LEU H H 1 8.704 0.02 A 36 LEU HA H 1 3.964 0.02 A 36 LEU HBx H 1 1.76 0.02 A 36 LEU HBy H 1 1.948 0.02 A 36 LEU HDx% H 1 0.614 0.02 A 36 LEU HDy% H 1 0.723 0.02 A 36 LEU HG H 1 1.647 0.02 A 36 LEU C C 13 179.109 0.4 A 36 LEU CA C 13 58.688 0.4 A 36 LEU CB C 13 42.704 0.4 A 36 LEU CDy C 13 26.06 0.4 A 36 LEU CDx C 13 24.913 0.4 A 36 LEU CG C 13 27.278 0.4 A 36 LEU N N 15 120.572 0.1 A 37 LEU H H 1 8.808 0.02 A 37 LEU HA H 1 3.738 0.02 A 37 LEU HBx H 1 1.425 0.02 A 37 LEU HBy H 1 1.814 0.02 A 37 LEU HDx% H 1 0.349 0.02 A 37 LEU HDy% H 1 0.634 0.02 A 37 LEU HG H 1 1.637 0.02 A 37 LEU C C 13 179.754 0.4 A 37 LEU CA C 13 58.667 0.4 A 37 LEU CB C 13 41.654 0.4 A 37 LEU CDx C 13 23.38 0.4 A 37 LEU CDy C 13 25.478 0.4 A 37 LEU CG C 13 27.027 0.4 A 37 LEU N N 15 119.898 0.1 A 38 GLN H H 1 7.856 0.02 A 38 GLN HA H 1 4.031 0.02 A 38 GLN HB2 H 1 2.184 0.02 A 38 GLN HB3 H 1 2.184 0.02 A 38 GLN HE2x H 1 6.779 0.02 A 38 GLN HE2y H 1 7.424 0.02 A 38 GLN HGx H 1 2.37 0.02 A 38 GLN HGy H 1 2.504 0.02 A 38 GLN C C 13 179.419 0.4 A 38 GLN CA C 13 59.063 0.4 A 38 GLN CB C 13 28.443 0.4 A 38 GLN CG C 13 33.723 0.4 A 38 GLN N N 15 118.292 0.1 A 38 GLN NE2 N 15 111.576 0.1 A 39 ARG H H 1 8.162 0.02 A 39 ARG HA H 1 4.136 0.02 A 39 ARG HB2 H 1 1.97 0.02 A 39 ARG HB3 H 1 1.97 0.02 A 39 ARG HDx H 1 2.874 0.02 A 39 ARG HDy H 1 3.252 0.02 A 39 ARG HGx H 1 1.826 0.02 A 39 ARG HGy H 1 1.99 0.02 A 39 ARG C C 13 179.198 0.4 A 39 ARG CA C 13 58.658 0.4 A 39 ARG CB C 13 31.311 0.4 A 39 ARG CD C 13 43.604 0.4 A 39 ARG CG C 13 28.017 0.4 A 39 ARG N N 15 117.858 0.1 A 40 CYS H H 1 8.227 0.02 A 40 CYS HA H 1 4.125 0.02 A 40 CYS HBx H 1 2.882 0.02 A 40 CYS HBy H 1 3.034 0.02 A 40 CYS C C 13 175.19 0.4 A 40 CYS CA C 13 62.123 0.4 A 40 CYS CB C 13 27.51 0.4 A 40 CYS N N 15 116.269 0.1 A 41 ALA H H 1 7.787 0.02 A 41 ALA HA H 1 4.144 0.02 A 41 ALA HB% H 1 1.399 0.02 A 41 ALA C C 13 178.121 0.4 A 41 ALA CA C 13 53.635 0.4 A 41 ALA CB C 13 18.034 0.4 A 41 ALA N N 15 122.023 0.1 A 42 GLN H H 1 7.764 0.02 A 42 GLN HA H 1 4.153 0.02 A 42 GLN HBx H 1 1.899 0.02 A 42 GLN HBy H 1 2.002 0.02 A 42 GLN HE2x H 1 6.816 0.02 A 42 GLN HE2y H 1 7.398 0.02 A 42 GLN HG2 H 1 2.237 0.02 A 42 GLN HG3 H 1 2.237 0.02 A 42 GLN CA C 13 56.528 0.4 A 42 GLN CB C 13 29.189 0.4 A 42 GLN CG C 13 33.849 0.4 A 42 GLN N N 15 116.595 0.1 A 42 GLN NE2 N 15 112.397 0.1 A 43 LYS HA H 1 4.293 0.02 A 43 LYS HBx H 1 1.718 0.02 A 43 LYS HBy H 1 1.848 0.02 A 43 LYS HD2 H 1 1.642 0.02 A 43 LYS HD3 H 1 1.642 0.02 A 43 LYS HE2 H 1 2.941 0.02 A 43 LYS HE3 H 1 2.941 0.02 A 43 LYS HG2 H 1 1.417 0.02 A 43 LYS HG3 H 1 1.417 0.02 A 43 LYS C C 13 176.375 0.4 A 43 LYS CA C 13 55.939 0.4 A 43 LYS CB C 13 32.915 0.4 A 43 LYS CD C 13 28.583 0.4 A 43 LYS CE C 13 41.999 0.4 A 43 LYS CG C 13 24.716 0.4 A 44 SER H H 1 8.01 0.02 A 44 SER HA H 1 4.704 0.02 A 44 SER HB2 H 1 3.752 0.02 A 44 SER HB3 H 1 3.752 0.02 A 44 SER CA C 13 55.959 0.4 A 44 SER CB C 13 63.729 0.4 A 44 SER N N 15 116.032 0.1 A 45 PRO HA H 1 4.432 0.02 A 45 PRO HBx H 1 1.874 0.02 A 45 PRO HBy H 1 2.261 0.02 A 45 PRO HD2 H 1 3.603 0.02 A 45 PRO HD3 H 1 3.603 0.02 A 45 PRO HG2 H 1 1.943 0.02 A 45 PRO HG3 H 1 1.943 0.02 A 45 PRO C C 13 176.989 0.4 A 45 PRO CA C 13 63.608 0.4 A 45 PRO CB C 13 32.168 0.4 A 45 PRO CG C 13 27.349 0.4 A 46 ARG H H 1 8.186 0.02 A 46 ARG HA H 1 4.259 0.02 A 46 ARG HBx H 1 1.708 0.02 A 46 ARG HBy H 1 1.795 0.02 A 46 ARG HD2 H 1 3.138 0.02 A 46 ARG HD3 H 1 3.138 0.02 A 46 ARG HG2 H 1 1.603 0.02 A 46 ARG HG3 H 1 1.603 0.02 A 46 ARG C C 13 176.301 0.4 A 46 ARG CA C 13 56.216 0.4 A 46 ARG CB C 13 30.457 0.4 A 46 ARG CD C 13 43.251 0.4 A 46 ARG CG C 13 27.177 0.4 A 46 ARG N N 15 119.451 0.1 A 47 VAL H H 1 7.898 0.02 A 47 VAL HA H 1 4.145 0.02 A 47 VAL HB H 1 2.049 0.02 A 47 VAL HGx% H 1 0.848 0.02 A 47 VAL HGy% H 1 0.845 0.02 A 47 VAL C C 13 175.221 0.4 A 47 VAL CA C 13 61.558 0.4 A 47 VAL CB C 13 33.088 0.4 A 47 VAL CGx C 13 20.423 0.4 A 47 VAL CGy C 13 21.464 0.4 A 47 VAL N N 15 120.314 0.1 A 48 ALA H H 1 8.15 0.02 A 48 ALA HA H 1 4.535 0.02 A 48 ALA HB% H 1 1.279 0.02 A 48 ALA CA C 13 50.37 0.4 A 48 ALA CB C 13 18.358 0.4 A 48 ALA N N 15 127.994 0.1 A 49 PRO HA H 1 4.359 0.02 A 49 PRO HBx H 1 1.909 0.02 A 49 PRO HBy H 1 2.245 0.02 A 49 PRO HDx H 1 3.554 0.02 A 49 PRO HDy H 1 3.723 0.02 A 49 PRO HGx H 1 1.903 0.02 A 49 PRO HGy H 1 2.001 0.02 A 49 PRO CA C 13 63.812 0.4 A 49 PRO CB C 13 31.93 0.4 A 49 PRO CD C 13 50.573 0.4 A 49 PRO CG C 13 27.515 0.4 A 50 GLY HA2 H 1 3.538 0.02 A 50 GLY HA3 H 1 3.893 0.02 A 50 GLY CA C 13 43.102 0.4 A 51 SER HA H 1 4.416 0.02 A 51 SER HBx H 1 3.751 0.02 A 51 SER HBy H 1 3.827 0.02 A 51 SER CA C 13 58.707 0.4 A 51 SER CB C 13 64.171 0.4 A 52 ALA HA H 1 4.572 0.02 A 52 ALA HB% H 1 1.346 0.02 A 52 ALA CA C 13 51.158 0.4 A 52 ALA CB C 13 18.37 0.4 A 53 PRO HA H 1 4.636 0.02 A 53 PRO HBx H 1 1.696 0.02 A 53 PRO HBy H 1 2.256 0.02 A 53 PRO HDx H 1 3.547 0.02 A 53 PRO HDy H 1 3.759 0.02 A 53 PRO HG2 H 1 1.956 0.02 A 53 PRO HG3 H 1 1.956 0.02 A 53 PRO CA C 13 61.759 0.4 A 53 PRO CB C 13 31.026 0.4 A 53 PRO CD C 13 50.529 0.4 A 53 PRO CG C 13 27.49 0.4 A 54 PRO HA H 1 4.517 0.02 A 54 PRO HBx H 1 1.891 0.02 A 54 PRO HBy H 1 2.172 0.02 A 54 PRO HDx H 1 3.436 0.02 A 54 PRO HDy H 1 3.732 0.02 A 54 PRO HG2 H 1 1.929 0.02 A 54 PRO HG3 H 1 1.929 0.02 A 54 PRO CA C 13 63.821 0.4 A 54 PRO CB C 13 31.871 0.4 A 54 PRO CD C 13 50.457 0.4 A 54 PRO CG C 13 27.523 0.4 A 55 TRP HA H 1 5.123 0.02 A 55 TRP HBx H 1 3.133 0.02 A 55 TRP HBy H 1 3.551 0.02 A 55 TRP HD1 H 1 7.275 0.02 A 55 TRP HE1 H 1 10.391 0.02 A 55 TRP HE3 H 1 7.285 0.02 A 55 TRP HH2 H 1 7.065 0.02 A 55 TRP HZ2 H 1 7.367 0.02 A 55 TRP HZ3 H 1 6.776 0.02 A 55 TRP CA C 13 55.867 0.4 A 55 TRP CB C 13 29.194 0.4 A 55 TRP CD1 C 13 124.731 0.4 A 55 TRP CE3 C 13 121.474 0.4 A 55 TRP CH2 C 13 124.768 0.4 A 55 TRP CZ2 C 13 114.838 0.4 A 55 TRP CZ3 C 13 121.348 0.4 A 55 TRP NE1 N 15 128.872 0.1 A 56 PRO HA H 1 4.141 0.02 A 56 PRO HBx H 1 1.999 0.02 A 56 PRO HBy H 1 2.391 0.02 A 56 PRO HD2 H 1 3.99 0.02 A 56 PRO HD3 H 1 3.99 0.02 A 56 PRO HGx H 1 2.001 0.02 A 56 PRO HGy H 1 2.246 0.02 A 56 PRO CA C 13 66.316 0.4 A 56 PRO CB C 13 32.144 0.4 A 56 PRO CD C 13 50.617 0.4 A 56 PRO CG C 13 28.177 0.4 A 57 ALA HA H 1 4.086 0.02 A 57 ALA HB% H 1 1.168 0.02 A 57 ALA CA C 13 54.844 0.4 A 57 ALA CB C 13 18.5 0.4 A 58 LEU HA H 1 3.587 0.02 A 58 LEU HBx H 1 0.509 0.02 A 58 LEU HBy H 1 1.724 0.02 A 58 LEU HDx% H 1 0.373 0.02 A 58 LEU HDy% H 1 0.38 0.02 A 58 LEU HG H 1 1.251 0.02 A 58 LEU C C 13 178.091 0.4 A 58 LEU CA C 13 57.45 0.4 A 58 LEU CB C 13 41.396 0.4 A 58 LEU CDy C 13 25.209 0.4 A 58 LEU CDx C 13 22.335 0.4 A 58 LEU CG C 13 26.767 0.4 A 59 ARG H H 1 7.794 0.02 A 59 ARG HA H 1 3.8 0.02 A 59 ARG HB2 H 1 1.822 0.02 A 59 ARG HB3 H 1 1.822 0.02 A 59 ARG HD2 H 1 3.15 0.02 A 59 ARG HD3 H 1 3.15 0.02 A 59 ARG HGx H 1 1.461 0.02 A 59 ARG HGy H 1 1.658 0.02 A 59 ARG C C 13 179.057 0.4 A 59 ARG CA C 13 59.703 0.4 A 59 ARG CB C 13 29.563 0.4 A 59 ARG CD C 13 43.483 0.4 A 59 ARG CG C 13 27.457 0.4 A 59 ARG N N 15 117.459 0.1 A 60 SER H H 1 8.074 0.02 A 60 SER HA H 1 4.212 0.02 A 60 SER HB2 H 1 3.945 0.02 A 60 SER HB3 H 1 3.945 0.02 A 60 SER C C 13 176.474 0.4 A 60 SER CA C 13 61.594 0.4 A 60 SER CB C 13 62.809 0.4 A 60 SER N N 15 114.743 0.1 A 61 LEU H H 1 7.55 0.02 A 61 LEU HA H 1 3.925 0.02 A 61 LEU HBx H 1 1.206 0.02 A 61 LEU HBy H 1 1.98 0.02 A 61 LEU HDx% H 1 0.841 0.02 A 61 LEU HDy% H 1 0.875 0.02 A 61 LEU HG H 1 1.991 0.02 A 61 LEU C C 13 180.131 0.4 A 61 LEU CA C 13 57.855 0.4 A 61 LEU CB C 13 42.672 0.4 A 61 LEU CDy C 13 27.056 0.4 A 61 LEU CDx C 13 24.254 0.4 A 61 LEU CG C 13 26.221 0.4 A 61 LEU N N 15 120.984 0.1 A 62 LEU H H 1 8.157 0.02 A 62 LEU HA H 1 4.461 0.02 A 62 LEU HBx H 1 1.614 0.02 A 62 LEU HBy H 1 1.949 0.02 A 62 LEU HDx% H 1 0.934 0.02 A 62 LEU HDy% H 1 0.968 0.02 A 62 LEU HG H 1 1.712 0.02 A 62 LEU C C 13 181.779 0.4 A 62 LEU CA C 13 57.901 0.4 A 62 LEU CB C 13 41.753 0.4 A 62 LEU CDx C 13 24.286 0.4 A 62 LEU CDy C 13 26.653 0.4 A 62 LEU CG C 13 27.205 0.4 A 62 LEU N N 15 121.536 0.1 A 63 HIS H H 1 8.325 0.02 A 63 HIS HA H 1 4.398 0.02 A 63 HIS HB2 H 1 3.247 0.02 A 63 HIS HB3 H 1 3.247 0.02 A 63 HIS HD2 H 1 6.982 0.02 A 63 HIS C C 13 177.286 0.4 A 63 HIS CA C 13 58.716 0.4 A 63 HIS CB C 13 30.127 0.4 A 63 HIS N N 15 121.117 0.1 A 64 ARG H H 1 7.477 0.02 A 64 ARG HA H 1 4.132 0.02 A 64 ARG HBx H 1 1.322 0.02 A 64 ARG HBy H 1 1.885 0.02 A 64 ARG HD2 H 1 2.294 0.02 A 64 ARG HD3 H 1 2.294 0.02 A 64 ARG HGx H 1 1.448 0.02 A 64 ARG HGy H 1 1.678 0.02 A 64 ARG C C 13 175.029 0.4 A 64 ARG CA C 13 56.183 0.4 A 64 ARG CB C 13 31.34 0.4 A 64 ARG CD C 13 42.998 0.4 A 64 ARG CG C 13 28.83 0.4 A 64 ARG N N 15 115.154 0.1 A 65 ASN H H 1 8.1 0.02 A 65 ASN HA H 1 4.392 0.02 A 65 ASN HBx H 1 2.768 0.02 A 65 ASN HBy H 1 3.135 0.02 A 65 ASN HD2x H 1 6.704 0.02 A 65 ASN HD2y H 1 7.554 0.02 A 65 ASN C C 13 174.887 0.4 A 65 ASN CA C 13 54.887 0.4 A 65 ASN CB C 13 37.303 0.4 A 65 ASN N N 15 114.655 0.1 A 65 ASN ND2 N 15 112.714 0.1 A 66 LEU H H 1 8.089 0.02 A 66 LEU HA H 1 4.194 0.02 A 66 LEU HBx H 1 1.378 0.02 A 66 LEU HBy H 1 1.708 0.02 A 66 LEU HDx% H 1 0.723 0.02 A 66 LEU HDy% H 1 0.887 0.02 A 66 LEU HG H 1 1.581 0.02 A 66 LEU C C 13 175.408 0.4 A 66 LEU CA C 13 55.857 0.4 A 66 LEU CB C 13 43.676 0.4 A 66 LEU CDx C 13 21.727 0.4 A 66 LEU CDy C 13 27.364 0.4 A 66 LEU CG C 13 27.251 0.4 A 66 LEU N N 15 116.396 0.1 A 67 VAL H H 1 6.967 0.02 A 67 VAL HA H 1 4.778 0.02 A 67 VAL HB H 1 1.459 0.02 A 67 VAL HGx% H 1 0.702 0.02 A 67 VAL HGy% H 1 0.998 0.02 A 67 VAL C C 13 172.609 0.4 A 67 VAL CA C 13 59.231 0.4 A 67 VAL CB C 13 36.319 0.4 A 67 VAL CGy C 13 23.738 0.4 A 67 VAL CGx C 13 22.531 0.4 A 67 VAL N N 15 116.636 0.1 A 68 LEU H H 1 9.422 0.02 A 68 LEU HA H 1 4.527 0.02 A 68 LEU HBx H 1 1.262 0.02 A 68 LEU HBy H 1 1.678 0.02 A 68 LEU HDx% H 1 0.759 0.02 A 68 LEU HDy% H 1 0.859 0.02 A 68 LEU HG H 1 1.37 0.02 A 68 LEU C C 13 174.353 0.4 A 68 LEU CA C 13 53.597 0.4 A 68 LEU CB C 13 45.433 0.4 A 68 LEU CDy C 13 25.827 0.4 A 68 LEU CDx C 13 24.118 0.4 A 68 LEU CG C 13 26.809 0.4 A 68 LEU N N 15 128.121 0.1 A 69 ARG H H 1 8.393 0.02 A 69 ARG HA H 1 5.156 0.02 A 69 ARG HBx H 1 1.457 0.02 A 69 ARG HBy H 1 1.669 0.02 A 69 ARG HDx H 1 2.994 0.02 A 69 ARG HDy H 1 3.083 0.02 A 69 ARG HG2 H 1 1.233 0.02 A 69 ARG HG3 H 1 1.233 0.02 A 69 ARG C C 13 175.848 0.4 A 69 ARG CA C 13 53.854 0.4 A 69 ARG CB C 13 32.405 0.4 A 69 ARG CD C 13 43.61 0.4 A 69 ARG CG C 13 26.875 0.4 A 69 ARG N N 15 124.575 0.1 A 70 THR H H 1 8.58 0.02 A 70 THR HA H 1 4.478 0.02 A 70 THR HB H 1 4.068 0.02 A 70 THR HG2% H 1 1.013 0.02 A 70 THR C C 13 173.061 0.4 A 70 THR CA C 13 60.672 0.4 A 70 THR CB C 13 71.428 0.4 A 70 THR CG2 C 13 21.291 0.4 A 70 THR N N 15 118.544 0.1 A 71 HIS H H 1 8.106 0.02 A 71 HIS HA H 1 4 0.02 A 71 HIS HBx H 1 3.045 0.02 A 71 HIS HBy H 1 3.32 0.02 A 71 HIS HD2 H 1 6.925 0.02 A 71 HIS C C 13 173.904 0.4 A 71 HIS CA C 13 59.085 0.4 A 71 HIS CB C 13 30.681 0.4 A 71 HIS N N 15 112.22 0.1 A 72 GLN H H 1 7.687 0.02 A 72 GLN HA H 1 4.228 0.02 A 72 GLN HB2 H 1 1.876 0.02 A 72 GLN HB3 H 1 1.876 0.02 A 72 GLN HE2x H 1 6.824 0.02 A 72 GLN HE2y H 1 7.482 0.02 A 72 GLN HG2 H 1 2.221 0.02 A 72 GLN HG3 H 1 2.221 0.02 A 72 GLN CA C 13 53.871 0.4 A 72 GLN CB C 13 30.943 0.4 A 72 GLN CG C 13 33.497 0.4 A 72 GLN N N 15 117.578 0.1 A 72 GLN NE2 N 15 112.152 0.1 A 73 PRO HA H 1 4.621 0.02 A 73 PRO HBx H 1 2.018 0.02 A 73 PRO HBy H 1 2.498 0.02 A 73 PRO HD2 H 1 3.534 0.02 A 73 PRO HD3 H 1 3.534 0.02 A 73 PRO HG2 H 1 1.902 0.02 A 73 PRO HG3 H 1 1.902 0.02 A 73 PRO C C 13 175.492 0.4 A 73 PRO CA C 13 63.126 0.4 A 73 PRO CB C 13 34.716 0.4 A 73 PRO CD C 13 50.682 0.4 A 73 PRO CG C 13 25.646 0.4 A 74 ALA H H 1 8.299 0.02 A 74 ALA HA H 1 4.083 0.02 A 74 ALA HB% H 1 1.185 0.02 A 74 ALA C C 13 177.063 0.4 A 74 ALA CA C 13 53.376 0.4 A 74 ALA CB C 13 19.891 0.4 A 74 ALA N N 15 122.849 0.1 A 75 ARG H H 1 8.818 0.02 A 75 ARG HA H 1 4.468 0.02 A 75 ARG HBx H 1 1.103 0.02 A 75 ARG HBy H 1 1.418 0.02 A 75 ARG HDx H 1 1.492 0.02 A 75 ARG HDy H 1 1.909 0.02 A 75 ARG HG2 H 1 1.424 0.02 A 75 ARG HG3 H 1 1.424 0.02 A 75 ARG C C 13 175.106 0.4 A 75 ARG CA C 13 54.353 0.4 A 75 ARG CB C 13 33.496 0.4 A 75 ARG CD C 13 43.004 0.4 A 75 ARG CG C 13 26.82 0.4 A 75 ARG N N 15 120.422 0.1 A 76 TYR H H 1 9.286 0.02 A 76 TYR HA H 1 5.626 0.02 A 76 TYR HBx H 1 2.68 0.02 A 76 TYR HBy H 1 2.83 0.02 A 76 TYR HD1 H 1 7.055 0.02 A 76 TYR HD2 H 1 7.055 0.02 A 76 TYR HE1 H 1 6.628 0.02 A 76 TYR HE2 H 1 6.628 0.02 A 76 TYR C C 13 174.859 0.4 A 76 TYR CA C 13 57.678 0.4 A 76 TYR CB C 13 41.085 0.4 A 76 TYR CD1 C 13 133.197 0.4 A 76 TYR CD2 C 13 133.197 0.4 A 76 TYR CE1 C 13 117.286 0.4 A 76 TYR CE2 C 13 117.286 0.4 A 76 TYR N N 15 120.598 0.1 A 77 SER H H 1 8.613 0.02 A 77 SER HA H 1 4.896 0.02 A 77 SER HB2 H 1 3.904 0.02 A 77 SER HB3 H 1 3.904 0.02 A 77 SER C C 13 173.56 0.4 A 77 SER CA C 13 57.061 0.4 A 77 SER CB C 13 65.956 0.4 A 77 SER N N 15 112.804 0.1 A 78 LEU H H 1 9.498 0.02 A 78 LEU HA H 1 4.841 0.02 A 78 LEU HBx H 1 1.447 0.02 A 78 LEU HBy H 1 1.623 0.02 A 78 LEU HDx% H 1 0.756 0.02 A 78 LEU HDy% H 1 0.881 0.02 A 78 LEU HG H 1 1.944 0.02 A 78 LEU C C 13 179.011 0.4 A 78 LEU CA C 13 55.363 0.4 A 78 LEU CB C 13 42.942 0.4 A 78 LEU CDy C 13 25.34 0.4 A 78 LEU CDx C 13 24.655 0.4 A 78 LEU CG C 13 27.49 0.4 A 78 LEU N N 15 120.882 0.1 A 79 THR H H 1 7.306 0.02 A 79 THR HA H 1 4.552 0.02 A 79 THR HB H 1 4.846 0.02 A 79 THR HG2% H 1 0.998 0.02 A 79 THR CA C 13 60.061 0.4 A 79 THR CB C 13 68.204 0.4 A 79 THR CG2 C 13 22.522 0.4 A 79 THR N N 15 112.454 0.1 A 80 PRO HA H 1 4.179 0.02 A 80 PRO HBx H 1 1.961 0.02 A 80 PRO HBy H 1 2.388 0.02 A 80 PRO HD2 H 1 3.905 0.02 A 80 PRO HD3 H 1 3.905 0.02 A 80 PRO HGx H 1 1.989 0.02 A 80 PRO HGy H 1 2.256 0.02 A 80 PRO C C 13 179.638 0.4 A 80 PRO CA C 13 66.894 0.4 A 80 PRO CB C 13 31.593 0.4 A 80 PRO CD C 13 50.26 0.4 A 80 PRO CG C 13 28.457 0.4 A 81 GLU H H 1 8.971 0.02 A 81 GLU HA H 1 4.085 0.02 A 81 GLU HBx H 1 1.853 0.02 A 81 GLU HBy H 1 2.087 0.02 A 81 GLU HGx H 1 2.314 0.02 A 81 GLU HGy H 1 2.406 0.02 A 81 GLU C C 13 180.24 0.4 A 81 GLU CA C 13 60.296 0.4 A 81 GLU CB C 13 29.567 0.4 A 81 GLU CG C 13 37.454 0.4 A 81 GLU N N 15 118.331 0.1 A 82 GLY H H 1 8.292 0.02 A 82 GLY HA2 H 1 3.71 0.02 A 82 GLY HA3 H 1 4.639 0.02 A 82 GLY C C 13 175.2 0.4 A 82 GLY CA C 13 48.186 0.4 A 82 GLY N N 15 111.501 0.1 A 83 LEU H H 1 8.907 0.02 A 83 LEU HA H 1 3.916 0.02 A 83 LEU HBx H 1 1.445 0.02 A 83 LEU HBy H 1 1.711 0.02 A 83 LEU HDx% H 1 0.606 0.02 A 83 LEU HDy% H 1 0.616 0.02 A 83 LEU HG H 1 1.437 0.02 A 83 LEU C C 13 178.524 0.4 A 83 LEU CA C 13 58.449 0.4 A 83 LEU CB C 13 41.842 0.4 A 83 LEU CDx C 13 24.136 0.4 A 83 LEU CDy C 13 24.832 0.4 A 83 LEU CG C 13 27.078 0.4 A 83 LEU N N 15 123.737 0.1 A 84 GLU H H 1 7.682 0.02 A 84 GLU HA H 1 3.976 0.02 A 84 GLU HB2 H 1 2.089 0.02 A 84 GLU HB3 H 1 2.089 0.02 A 84 GLU HGx H 1 2.192 0.02 A 84 GLU HGy H 1 2.386 0.02 A 84 GLU C C 13 179.139 0.4 A 84 GLU CA C 13 59.52 0.4 A 84 GLU CB C 13 29.625 0.4 A 84 GLU CG C 13 36.492 0.4 A 84 GLU N N 15 118.89 0.1 A 85 LEU H H 1 7.611 0.02 A 85 LEU HA H 1 4.262 0.02 A 85 LEU HBx H 1 1.711 0.02 A 85 LEU HBy H 1 1.854 0.02 A 85 LEU HDx% H 1 0.927 0.02 A 85 LEU HDy% H 1 1.115 0.02 A 85 LEU HG H 1 1.357 0.02 A 85 LEU C C 13 178.299 0.4 A 85 LEU CA C 13 57.851 0.4 A 85 LEU CB C 13 41.815 0.4 A 85 LEU CDy C 13 27.931 0.4 A 85 LEU CDx C 13 23.118 0.4 A 85 LEU CG C 13 27.702 0.4 A 85 LEU N N 15 119.369 0.1 A 86 ALA H H 1 8.99 0.02 A 86 ALA HA H 1 3.558 0.02 A 86 ALA HB% H 1 1.146 0.02 A 86 ALA C C 13 178.256 0.4 A 86 ALA CA C 13 55.676 0.4 A 86 ALA CB C 13 18.94 0.4 A 86 ALA N N 15 121.268 0.1 A 87 GLN H H 1 7.866 0.02 A 87 GLN HA H 1 3.375 0.02 A 87 GLN HBx H 1 2.025 0.02 A 87 GLN HBy H 1 2.089 0.02 A 87 GLN HE2x H 1 6.831 0.02 A 87 GLN HE2y H 1 7.576 0.02 A 87 GLN HGx H 1 2.328 0.02 A 87 GLN HGy H 1 2.428 0.02 A 87 GLN C C 13 178.54 0.4 A 87 GLN CA C 13 59.388 0.4 A 87 GLN CB C 13 28.09 0.4 A 87 GLN CG C 13 33.734 0.4 A 87 GLN N N 15 115.754 0.1 A 87 GLN NE2 N 15 111.792 0.1 A 88 LYS H H 1 7.348 0.02 A 88 LYS HA H 1 4.165 0.02 A 88 LYS HBx H 1 2.155 0.02 A 88 LYS HBy H 1 2.274 0.02 A 88 LYS HD2 H 1 1.786 0.02 A 88 LYS HD3 H 1 1.786 0.02 A 88 LYS HE2 H 1 2.974 0.02 A 88 LYS HE3 H 1 2.974 0.02 A 88 LYS HGx H 1 1.625 0.02 A 88 LYS HGy H 1 1.812 0.02 A 88 LYS C C 13 180.95 0.4 A 88 LYS CA C 13 59.327 0.4 A 88 LYS CB C 13 32.853 0.4 A 88 LYS CD C 13 29.266 0.4 A 88 LYS CE C 13 42.144 0.4 A 88 LYS CG C 13 25.621 0.4 A 88 LYS N N 15 119.144 0.1 A 89 LEU H H 1 8.649 0.02 A 89 LEU HA H 1 3.806 0.02 A 89 LEU HBx H 1 0.787 0.02 A 89 LEU HBy H 1 1.773 0.02 A 89 LEU HDx% H 1 -0.447 0.02 A 89 LEU HDy% H 1 0.382 0.02 A 89 LEU HG H 1 1.295 0.02 A 89 LEU C C 13 179.379 0.4 A 89 LEU CA C 13 57.619 0.4 A 89 LEU CB C 13 42.35 0.4 A 89 LEU CDx C 13 21.176 0.4 A 89 LEU CDy C 13 27.851 0.4 A 89 LEU CG C 13 25.856 0.4 A 89 LEU N N 15 122.67 0.1 A 90 ALA H H 1 8.719 0.02 A 90 ALA HA H 1 3.801 0.02 A 90 ALA HB% H 1 1.398 0.02 A 90 ALA C C 13 180.589 0.4 A 90 ALA CA C 13 55.473 0.4 A 90 ALA CB C 13 18.244 0.4 A 90 ALA N N 15 123.29 0.1 A 91 GLU H H 1 8.158 0.02 A 91 GLU HA H 1 4.107 0.02 A 91 GLU HB2 H 1 2.146 0.02 A 91 GLU HB3 H 1 2.146 0.02 A 91 GLU HGx H 1 2.282 0.02 A 91 GLU HGy H 1 2.518 0.02 A 91 GLU C C 13 179.853 0.4 A 91 GLU CA C 13 59.185 0.4 A 91 GLU CB C 13 29.568 0.4 A 91 GLU CG C 13 36.667 0.4 A 91 GLU N N 15 118.679 0.1 A 92 SER H H 1 8.014 0.02 A 92 SER HA H 1 4.383 0.02 A 92 SER HB2 H 1 4.294 0.02 A 92 SER HB3 H 1 4.294 0.02 A 92 SER C C 13 176.339 0.4 A 92 SER CA C 13 61.131 0.4 A 92 SER CB C 13 63.419 0.4 A 92 SER N N 15 115.658 0.1 A 93 GLU H H 1 7.735 0.02 A 93 GLU HA H 1 4.299 0.02 A 93 GLU HBx H 1 1.895 0.02 A 93 GLU HBy H 1 2.248 0.02 A 93 GLU HGx H 1 2.13 0.02 A 93 GLU HGy H 1 2.286 0.02 A 93 GLU C C 13 177.272 0.4 A 93 GLU CA C 13 57.256 0.4 A 93 GLU CB C 13 30.341 0.4 A 93 GLU CG C 13 36.467 0.4 A 93 GLU N N 15 119.684 0.1 A 94 GLY H H 1 7.893 0.02 A 94 GLY HA2 H 1 3.892 0.02 A 94 GLY HA3 H 1 4.043 0.02 A 94 GLY C C 13 175.072 0.4 A 94 GLY CA C 13 46.094 0.4 A 94 GLY N N 15 108.354 0.1 A 95 LEU H H 1 7.991 0.02 A 95 LEU HA H 1 4.33 0.02 A 95 LEU HB2 H 1 1.624 0.02 A 95 LEU HB3 H 1 1.624 0.02 A 95 LEU HDx% H 1 0.892 0.02 A 95 LEU HDy% H 1 0.928 0.02 A 95 LEU C C 13 177.445 0.4 A 95 LEU CA C 13 55.421 0.4 A 95 LEU CB C 13 42.469 0.4 A 95 LEU CDy C 13 25.535 0.4 A 95 LEU CDx C 13 25.362 0.4 A 95 LEU N N 15 121.009 0.1 A 96 SER H H 1 8.34 0.02 A 96 SER HA H 1 4.458 0.02 A 96 SER HB2 H 1 3.871 0.02 A 96 SER HB3 H 1 3.871 0.02 A 96 SER C C 13 175.071 0.4 A 96 SER CA C 13 58.366 0.4 A 96 SER CB C 13 63.901 0.4 A 96 SER N N 15 116.965 0.1 A 97 LEU H H 1 8.287 0.02 A 97 LEU HA H 1 4.32 0.02 A 97 LEU HB2 H 1 1.604 0.02 A 97 LEU HB3 H 1 1.604 0.02 A 97 LEU HDx% H 1 0.878 0.02 A 97 LEU HDy% H 1 0.901 0.02 A 97 LEU C C 13 177.317 0.4 A 97 LEU CA C 13 55.428 0.4 A 97 LEU CB C 13 42.155 0.4 A 97 LEU CDx C 13 23.62 0.4 A 97 LEU CDy C 13 25.536 0.4 A 97 LEU N N 15 123.829 0.1 A 98 LEU H H 1 7.902 0.02 A 98 LEU HA H 1 4.261 0.02 A 98 LEU HB2 H 1 1.597 0.02 A 98 LEU HB3 H 1 1.597 0.02 A 98 LEU HDx% H 1 0.831 0.02 A 98 LEU HDy% H 1 0.891 0.02 A 98 LEU HG H 1 1.374 0.02 A 98 LEU C C 13 177.204 0.4 A 98 LEU CA C 13 55.507 0.4 A 98 LEU CB C 13 42.465 0.4 A 98 LEU CDx C 13 23.665 0.4 A 98 LEU CDy C 13 25.029 0.4 A 98 LEU CG C 13 27.12 0.4 A 98 LEU N N 15 120.316 0.1 A 99 ASN H H 1 8.264 0.02 A 99 ASN HA H 1 4.703 0.02 A 99 ASN HBx H 1 2.733 0.02 A 99 ASN HBy H 1 2.838 0.02 A 99 ASN HD2x H 1 7.17 0.02 A 99 ASN HD2y H 1 7.568 0.02 A 99 ASN C C 13 175.236 0.4 A 99 ASN CA C 13 53.234 0.4 A 99 ASN CB C 13 38.736 0.4 A 99 ASN N N 15 118.71 0.1 A 99 ASN ND2 N 15 112.68 0.1 A 100 VAL H H 1 7.921 0.02 A 100 VAL HA H 1 4.119 0.02 A 100 VAL HB H 1 2.122 0.02 A 100 VAL HGx% H 1 0.909 0.02 A 100 VAL HGy% H 1 0.91 0.02 A 100 VAL C C 13 176.604 0.4 A 100 VAL CA C 13 62.487 0.4 A 100 VAL CB C 13 32.665 0.4 A 100 VAL CGx C 13 20.515 0.4 A 100 VAL CGy C 13 21.346 0.4 A 100 VAL N N 15 119.241 0.1 A 101 GLY H H 1 8.413 0.02 A 101 GLY HA2 H 1 3.932 0.02 A 101 GLY HA3 H 1 3.932 0.02 A 101 GLY C C 13 174.045 0.4 A 101 GLY CA C 13 45.288 0.4 A 101 GLY N N 15 112.021 0.1 A 102 ILE H H 1 7.895 0.02 A 102 ILE HA H 1 4.222 0.02 A 102 ILE HB H 1 1.872 0.02 A 102 ILE HD1% H 1 0.826 0.02 A 102 ILE HG1x H 1 1.11 0.02 A 102 ILE HG1y H 1 1.409 0.02 A 102 ILE HG2% H 1 0.882 0.02 A 102 ILE C C 13 175.843 0.4 A 102 ILE CA C 13 61.074 0.4 A 102 ILE CB C 13 39.117 0.4 A 102 ILE CD1 C 13 13.254 0.4 A 102 ILE CG1 C 13 27.107 0.4 A 102 ILE CG2 C 13 17.698 0.4 A 102 ILE N N 15 119.497 0.1 A 103 GLY H H 1 8.038 0.02 A 103 GLY HA2 H 1 3.728 0.02 A 103 GLY HA3 H 1 3.728 0.02 A 103 GLY CA C 13 46.108 0.4 A 103 GLY N N 15 118.913 0.1 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 3 TYR HA A 3 TYR HE% 1.0 1.8 5.0 2 2 A 3 TYR HA A 3 TYR HD% 1.0 1.8 5.0 3 3 A 3 TYR HD% A 3 TYR HBy 1.0 1.8 5.0 4 4 A 3 TYR HE% A 3 TYR HBy 1.0 1.8 5.0 5 5 A 3 TYR HD% A 3 TYR HBx 1.0 1.8 5.0 6 6 A 3 TYR HE% A 3 TYR HBx 1.0 1.8 3.0 7 7 A 4 TRP HBy A 4 TRP H 1.0 1.8 3.5 8 8 A 4 TRP H A 4 TRP HBx 1.0 1.8 5.0 9 9 A 4 TRP HBy A 4 TRP HD1 1.0 1.8 4.0 10 10 A 4 TRP HBy A 4 TRP HE3 1.0 1.8 4.0 11 11 A 4 TRP HBx A 4 TRP HE3 1.0 1.8 5.0 12 12 A 4 TRP HD1 A 4 TRP HA 1.0 1.8 3.5 13 13 A 4 TRP HE3 A 4 TRP HA 1.0 1.8 5.5 14 14 A 4 TRP HBx A 4 TRP HD1 1.0 1.8 5.0 15 15 A 5 PRO HA A 5 PRO HG2 1.0 1.8 3.0 16 15 A 5 PRO HA A 5 PRO HG3 1.0 1.8 3.0 17 16 A 5 PRO HBy A 5 PRO HDy 1.0 1.8 5.5 18 17 A 5 PRO HBy A 5 PRO HDx 1.0 1.8 5.0 19 18 A 5 PRO HDx A 5 PRO HBx 1.0 1.8 3.5 20 19 A 5 PRO HA A 5 PRO HDy 1.0 1.8 5.0 21 20 A 6 ALA HB% A 6 ALA H 1.0 1.8 3.5 22 21 A 7 ARG HA A 7 ARG HGy 1.0 1.8 3.0 23 22 A 7 ARG HBy A 7 ARG HD2 1.0 1.8 4.0 24 22 A 7 ARG HBy A 7 ARG HD3 1.0 1.8 4.0 25 23 A 7 ARG HBx A 7 ARG HD2 1.0 1.8 4.0 26 23 A 7 ARG HD3 A 7 ARG HBx 1.0 1.8 4.0 27 24 A 7 ARG HA A 7 ARG HD2 1.0 1.8 4.0 28 24 A 7 ARG HA A 7 ARG HD3 1.0 1.8 4.0 29 25 A 7 ARG HA A 7 ARG HGx 1.0 1.8 3.0 30 26 A 8 HIS HBy A 8 HIS HD2 1.0 1.8 4.0 31 27 A 8 HIS HD2 A 8 HIS HBx 1.0 1.8 4.0 32 28 A 9 SER HBy A 9 SER H 1.0 1.8 5.0 33 29 A 11 ALA HB% A 11 ALA H 1.0 1.8 4.0 34 30 A 12 ARG HBy A 12 ARG H 1.0 1.8 5.0 35 31 A 12 ARG H A 12 ARG HBx 1.0 1.8 5.0 36 32 A 12 ARG H A 12 ARG HGy 1.0 1.8 3.5 37 33 A 12 ARG H A 12 ARG HGx 1.0 1.8 3.5 38 34 A 12 ARG HGy A 12 ARG HA 1.0 1.8 3.5 39 35 A 12 ARG HGx A 12 ARG HA 1.0 1.8 5.0 40 36 A 12 ARG HBy A 12 ARG HDx 1.0 1.8 3.0 41 37 A 12 ARG HBx A 12 ARG HDx 1.0 1.8 3.5 42 38 A 12 ARG HBy A 12 ARG HDy 1.0 1.8 3.5 43 39 A 12 ARG HBx A 12 ARG HDy 1.0 1.8 4.0 44 40 A 13 VAL HB A 13 VAL H 1.0 1.8 3.5 45 41 A 13 VAL H A 13 VAL HGx% 1.0 1.8 3.5 46 41 A 13 VAL H A 13 VAL HGy% 1.0 1.8 3.5 47 42 A 13 VAL HA A 13 VAL HGx% 1.0 1.8 5.0 48 43 A 13 VAL HGy% A 13 VAL HA 1.0 1.8 3.0 49 44 A 14 ILE HB A 14 ILE H 1.0 1.8 5.0 50 45 A 14 ILE H A 14 ILE HD1% 1.0 1.8 5.0 51 46 A 14 ILE H A 14 ILE HG1y 1.0 1.8 4.0 52 47 A 14 ILE H A 14 ILE HG1x 1.0 1.8 5.0 53 48 A 14 ILE H A 14 ILE HG2% 1.0 1.8 5.0 54 49 A 14 ILE HA A 14 ILE HG1y 1.0 1.8 3.5 55 50 A 14 ILE HG2% A 14 ILE HA 1.0 1.8 5.0 56 51 A 14 ILE HB A 14 ILE HD1% 1.0 1.8 5.0 57 52 A 14 ILE HA A 14 ILE HG1y 1.0 1.8 3.5 58 52 A 14 ILE HA A 14 ILE HG1x 1.0 1.8 3.5 59 53 A 14 ILE HA A 14 ILE HG1x 1.0 1.8 5.0 60 54 A 15 LEU HBy A 15 LEU H 1.0 1.8 5.0 61 55 A 15 LEU H A 15 LEU HBx 1.0 1.8 5.0 62 56 A 15 LEU H A 15 LEU HDx% 1.0 1.8 5.0 63 57 A 15 LEU H A 15 LEU HDy% 1.0 1.8 5.0 64 58 A 15 LEU HA A 15 LEU HDx% 1.0 1.8 5.0 65 59 A 15 LEU HA A 15 LEU HDy% 1.0 1.8 5.0 66 60 A 15 LEU HBy A 15 LEU HDx% 1.0 1.8 5.0 67 61 A 15 LEU HBx A 15 LEU HDx% 1.0 1.8 5.0 68 62 A 15 LEU HBx A 15 LEU HDy% 1.0 1.8 5.0 69 63 A 15 LEU HBy A 15 LEU HDy% 1.0 1.8 5.0 70 63 A 15 LEU HBy A 15 LEU HDx% 1.0 1.8 5.0 71 64 A 15 LEU HBx A 15 LEU HDy% 1.0 1.8 3.5 72 64 A 15 LEU HBx A 15 LEU HDx% 1.0 1.8 3.5 73 65 A 16 LEU HBy A 16 LEU H 1.0 1.8 3.5 74 66 A 16 LEU H A 16 LEU HBx 1.0 1.8 5.0 75 67 A 16 LEU H A 16 LEU HDx% 1.0 1.8 5.0 76 68 A 16 LEU H A 16 LEU HDy% 1.0 1.8 5.0 77 69 A 16 LEU H A 16 LEU HG 1.0 1.8 5.0 78 70 A 16 LEU HA A 16 LEU HDx% 1.0 1.8 4.0 79 71 A 16 LEU HA A 16 LEU HDy% 1.0 1.8 5.0 80 72 A 16 LEU HBy A 16 LEU HDx% 1.0 1.8 4.0 81 73 A 16 LEU HBy A 16 LEU HDy% 1.0 1.8 3.5 82 74 A 16 LEU HBx A 16 LEU HDx% 1.0 1.8 3.5 83 75 A 16 LEU HBx A 16 LEU HDy% 1.0 1.8 5.0 84 76 A 16 LEU HBy A 16 LEU HDy% 1.0 1.8 5.0 85 76 A 16 LEU HBy A 16 LEU HDx% 1.0 1.8 5.0 86 77 A 17 VAL HB A 17 VAL H 1.0 1.8 4.0 87 78 A 17 VAL H A 17 VAL HGx% 1.0 1.8 4.0 88 79 A 17 VAL H A 17 VAL HGy% 1.0 1.8 3.5 89 80 A 17 VAL HGx% A 17 VAL HA 1.0 1.8 3.5 90 81 A 17 VAL HGy% A 17 VAL HA 1.0 1.8 5.0 91 82 A 18 LEU HBy A 18 LEU H 1.0 1.8 5.0 92 83 A 18 LEU H A 18 LEU HBx 1.0 1.8 3.5 93 84 A 18 LEU H A 18 LEU HDx% 1.0 1.8 4.0 94 85 A 18 LEU H A 18 LEU HDy% 1.0 1.8 3.5 95 86 A 18 LEU H A 18 LEU HG 1.0 1.8 5.0 96 87 A 18 LEU HDx% A 18 LEU HA 1.0 1.8 5.0 97 88 A 18 LEU HDy% A 18 LEU HA 1.0 1.8 3.0 98 89 A 18 LEU HBy A 18 LEU HDx% 1.0 1.8 5.0 99 90 A 18 LEU HBy A 18 LEU HDy% 1.0 1.8 5.0 100 91 A 18 LEU HBx A 18 LEU HDx% 1.0 1.8 5.0 101 92 A 18 LEU HBx A 18 LEU HDy% 1.0 1.8 3.0 102 93 A 18 LEU HG A 18 LEU HA 1.0 1.8 5.0 103 94 A 19 TYR HBy A 19 TYR H 1.0 1.8 4.0 104 95 A 19 TYR H A 19 TYR HBx 1.0 1.8 5.0 105 96 A 19 TYR H A 19 TYR HD% 1.0 1.8 5.0 106 97 A 19 TYR HD% A 19 TYR HA 1.0 1.8 5.0 107 98 A 19 TYR HBy A 19 TYR HD% 1.0 1.8 4.0 108 99 A 19 TYR HBx A 19 TYR HD% 1.0 1.8 5.0 109 100 A 20 ARG H A 20 ARG HB2 1.0 1.8 5.0 110 100 A 20 ARG HB3 A 20 ARG H 1.0 1.8 5.0 111 101 A 20 ARG HA A 20 ARG HD2 1.0 1.8 5.0 112 101 A 20 ARG HA A 20 ARG HD3 1.0 1.8 5.0 113 102 A 20 ARG HA A 20 ARG HGy 1.0 1.8 5.0 114 103 A 20 ARG HB3 A 20 ARG HD2 1.0 1.8 5.0 115 103 A 20 ARG HD3 A 20 ARG HB2 1.0 1.8 5.0 116 103 A 20 ARG HB3 A 20 ARG HD3 1.0 1.8 5.0 117 103 A 20 ARG HB2 A 20 ARG HD2 1.0 1.8 5.0 118 104 A 20 ARG HA A 20 ARG HGx 1.0 1.8 5.0 119 105 A 21 GLU HBy A 21 GLU H 1.0 1.8 3.0 120 106 A 21 GLU H A 21 GLU HBx 1.0 1.8 5.0 121 107 A 21 GLU H A 21 GLU HG2 1.0 1.8 3.5 122 107 A 21 GLU H A 21 GLU HG3 1.0 1.8 3.5 123 108 A 21 GLU HA A 21 GLU HG2 1.0 1.8 4.0 124 108 A 21 GLU HG3 A 21 GLU HA 1.0 1.8 4.0 125 109 A 22 HIS HBy A 22 HIS H 1.0 1.8 5.0 126 110 A 22 HIS H A 22 HIS HBx 1.0 1.8 4.0 127 111 A 22 HIS H A 22 HIS HD2 1.0 1.8 5.0 128 112 A 22 HIS HBy A 22 HIS HD2 1.0 1.8 3.5 129 113 A 22 HIS HBx A 22 HIS HD2 1.0 1.8 3.5 130 114 A 22 HIS HD2 A 22 HIS HA 1.0 1.8 5.0 131 115 A 23 LEU H A 23 LEU HB2 1.0 1.8 5.0 132 115 A 23 LEU HB3 A 23 LEU H 1.0 1.8 5.0 133 116 A 23 LEU H A 23 LEU HDx% 1.0 1.8 4.0 134 117 A 23 LEU H A 23 LEU HDy% 1.0 1.8 3.5 135 118 A 23 LEU H A 23 LEU HG 1.0 1.8 4.0 136 119 A 23 LEU HDx% A 23 LEU HA 1.0 1.8 5.0 137 120 A 23 LEU HDy% A 23 LEU HA 1.0 1.8 3.5 138 121 A 23 LEU HDx% A 23 LEU HB2 1.0 1.8 4.0 139 121 A 23 LEU HB3 A 23 LEU HDx% 1.0 1.8 4.0 140 122 A 23 LEU HDy% A 23 LEU HB2 1.0 1.8 5.0 141 122 A 23 LEU HB3 A 23 LEU HDy% 1.0 1.8 5.0 142 123 A 23 LEU HG A 23 LEU HA 1.0 1.8 5.0 143 124 A 24 ASN HBy A 24 ASN HD2x 1.0 1.8 5.0 144 125 A 24 ASN HBy A 24 ASN HD2y 1.0 1.8 5.0 145 126 A 24 ASN HBy A 24 ASN H 1.0 1.8 5.0 146 127 A 24 ASN HD2x A 24 ASN HBx 1.0 1.8 5.0 147 128 A 24 ASN HD2y A 24 ASN HBx 1.0 1.8 5.0 148 129 A 24 ASN H A 24 ASN HBx 1.0 1.8 5.0 149 130 A 24 ASN HD2y A 24 ASN H 1.0 1.8 4.0 150 131 A 25 PRO HA A 25 PRO HDx 1.0 1.8 3.5 151 132 A 25 PRO HBy A 25 PRO HDy 1.0 1.8 5.0 152 133 A 25 PRO HDx A 25 PRO HBy 1.0 1.8 5.0 153 134 A 25 PRO HDy A 25 PRO HBx 1.0 1.8 4.0 154 135 A 25 PRO HDx A 25 PRO HBx 1.0 1.8 4.0 155 136 A 25 PRO HA A 25 PRO HDy 1.0 1.8 5.0 156 137 A 25 PRO HA A 25 PRO HG2 1.0 1.8 5.0 157 137 A 25 PRO HA A 25 PRO HG3 1.0 1.8 5.0 158 138 A 26 ASN HBy A 26 ASN HD2x 1.0 1.8 5.0 159 139 A 26 ASN HBy A 26 ASN HD2y 1.0 1.8 5.0 160 140 A 26 ASN HBy A 26 ASN H 1.0 1.8 5.0 161 141 A 26 ASN HD2x A 26 ASN HBx 1.0 1.8 5.0 162 142 A 26 ASN HD2y A 26 ASN HBx 1.0 1.8 5.0 163 143 A 26 ASN H A 26 ASN HBx 1.0 1.8 5.0 164 144 A 28 HIS HBy A 28 HIS H 1.0 1.8 4.0 165 145 A 28 HIS H A 28 HIS HBx 1.0 1.8 5.0 166 146 A 28 HIS HBy A 28 HIS HD2 1.0 1.8 5.0 167 147 A 28 HIS HBx A 28 HIS HD2 1.0 1.8 5.5 168 148 A 28 HIS HD2 A 28 HIS HA 1.0 1.8 5.0 169 149 A 29 HIS HBy A 29 HIS HD2 1.0 1.8 5.0 170 150 A 29 HIS HD2 A 29 HIS HBx 1.0 1.8 4.0 171 151 A 29 HIS HD2 A 29 HIS HA 1.0 1.8 5.0 172 152 A 30 PHE H A 30 PHE HBx 1.0 1.8 5.0 173 152 A 30 PHE HBy A 30 PHE H 1.0 1.8 5.0 174 153 A 30 PHE H A 30 PHE HD% 1.0 1.8 5.0 175 154 A 30 PHE HBy A 30 PHE HD% 1.0 1.8 4.0 176 155 A 30 PHE HD% A 30 PHE HBx 1.0 1.8 5.0 177 156 A 30 PHE HD% A 30 PHE HA 1.0 1.8 3.5 178 157 A 30 PHE HD% A 30 PHE HBx 1.0 1.8 5.0 179 157 A 30 PHE HBy A 30 PHE HD% 1.0 1.8 5.0 180 158 A 30 PHE HD% A 30 PHE HZ 1.0 1.8 5.0 181 159 A 31 LEU H A 31 LEU HBy 1.0 1.8 5.0 182 160 A 31 LEU H A 31 LEU HBx 1.0 1.8 5.0 183 161 A 31 LEU H A 31 LEU HDx% 1.0 1.8 5.0 184 162 A 31 LEU H A 31 LEU HDy% 1.0 1.8 4.0 185 163 A 31 LEU HA A 31 LEU HDx% 1.0 1.8 4.0 186 164 A 31 LEU HA A 31 LEU HDy% 1.0 1.8 5.0 187 165 A 31 LEU HA A 31 LEU HG 1.0 1.8 5.0 188 166 A 31 LEU HBx A 31 LEU HDx% 1.0 1.8 5.0 189 167 A 31 LEU HDx% A 31 LEU HBy 1.0 1.8 3.0 190 168 A 31 LEU HBy A 31 LEU HDy% 1.0 1.8 5.0 191 169 A 31 LEU HBx A 31 LEU HDy% 1.0 1.8 4.0 192 170 A 32 THR HB A 32 THR H 1.0 1.8 3.5 193 171 A 32 THR H A 32 THR HG2% 1.0 1.8 3.5 194 172 A 32 THR HG2% A 32 THR HA 1.0 1.8 4.0 195 173 A 33 LYS HBy A 33 LYS H 1.0 1.8 4.0 196 174 A 33 LYS H A 33 LYS HBx 1.0 1.8 3.0 197 175 A 33 LYS H A 33 LYS HG2 1.0 1.8 3.5 198 175 A 33 LYS H A 33 LYS HG3 1.0 1.8 3.5 199 176 A 33 LYS HA A 33 LYS HDy 1.0 1.8 5.0 200 176 A 33 LYS HA A 33 LYS HDx 1.0 1.8 5.0 201 177 A 33 LYS HBy A 33 LYS HDy 1.0 1.8 3.0 202 177 A 33 LYS HBy A 33 LYS HDx 1.0 1.8 3.0 203 178 A 33 LYS HBx A 33 LYS HDy 1.0 1.8 3.0 204 178 A 33 LYS HBx A 33 LYS HDx 1.0 1.8 3.0 205 179 A 33 LYS HBy A 33 LYS HDy 1.0 1.8 3.5 206 180 A 33 LYS HBx A 33 LYS HDy 1.0 1.8 3.0 207 181 A 33 LYS HBy A 33 LYS HDx 1.0 1.8 3.5 208 182 A 33 LYS HBx A 33 LYS HDx 1.0 1.8 5.0 209 183 A 33 LYS HE2 A 33 LYS HG2 1.0 1.8 5.0 210 183 A 33 LYS HE3 A 33 LYS HG2 1.0 1.8 5.0 211 183 A 33 LYS HG3 A 33 LYS HE2 1.0 1.8 5.0 212 183 A 33 LYS HG3 A 33 LYS HE3 1.0 1.8 5.0 213 184 A 33 LYS HA A 33 LYS HDy 1.0 1.8 5.0 214 185 A 33 LYS HA A 33 LYS HDx 1.0 1.8 4.0 215 186 A 33 LYS HA A 33 LYS HG2 1.0 1.8 4.0 216 186 A 33 LYS HG3 A 33 LYS HA 1.0 1.8 4.0 217 187 A 34 GLU HBy A 34 GLU H 1.0 1.8 4.0 218 188 A 34 GLU H A 34 GLU HBx 1.0 1.8 5.0 219 189 A 34 GLU H A 34 GLU HGy 1.0 1.8 5.0 220 190 A 34 GLU H A 34 GLU HGx 1.0 1.8 5.0 221 191 A 34 GLU HGy A 34 GLU HA 1.0 1.8 5.0 222 192 A 34 GLU HGx A 34 GLU HA 1.0 1.8 3.5 223 193 A 35 GLU HBy A 35 GLU H 1.0 1.8 3.5 224 194 A 35 GLU H A 35 GLU HBx 1.0 1.8 5.0 225 195 A 36 LEU HBy A 36 LEU H 1.0 1.8 3.5 226 196 A 36 LEU H A 36 LEU HBx 1.0 1.8 3.5 227 197 A 36 LEU H A 36 LEU HDx% 1.0 1.8 3.5 228 198 A 36 LEU H A 36 LEU HDy% 1.0 1.8 5.0 229 199 A 36 LEU H A 36 LEU HG 1.0 1.8 5.0 230 200 A 36 LEU HDx% A 36 LEU HA 1.0 1.8 3.5 231 201 A 36 LEU HDy% A 36 LEU HA 1.0 1.8 3.5 232 202 A 36 LEU HBy A 36 LEU HDy% 1.0 1.8 3.0 233 203 A 36 LEU HBx A 36 LEU HDx% 1.0 1.8 3.5 234 204 A 36 LEU HBx A 36 LEU HDy% 1.0 1.8 5.0 235 205 A 37 LEU HBy A 37 LEU H 1.0 1.8 3.0 236 206 A 37 LEU H A 37 LEU HBx 1.0 1.8 3.5 237 207 A 37 LEU H A 37 LEU HDx% 1.0 1.8 3.5 238 208 A 37 LEU H A 37 LEU HDy% 1.0 1.8 3.5 239 209 A 37 LEU HDx% A 37 LEU HA 1.0 1.8 3.5 240 210 A 37 LEU HDy% A 37 LEU HA 1.0 1.8 5.0 241 211 A 37 LEU HBy A 37 LEU HDx% 1.0 1.8 5.0 242 212 A 37 LEU HBy A 37 LEU HDy% 1.0 1.8 3.0 243 213 A 37 LEU HBx A 37 LEU HDx% 1.0 1.8 5.0 244 214 A 37 LEU HBx A 37 LEU HDy% 1.0 1.8 4.0 245 215 A 37 LEU HA A 37 LEU HG 1.0 1.8 5.0 246 216 A 38 GLN H A 38 GLN HB2 1.0 1.8 5.0 247 216 A 38 GLN HB3 A 38 GLN H 1.0 1.8 5.0 248 217 A 38 GLN H A 38 GLN HGy 1.0 1.8 5.0 249 218 A 38 GLN HE2y A 38 GLN HGx 1.0 1.8 5.0 250 219 A 38 GLN H A 38 GLN HGx 1.0 1.8 5.0 251 220 A 38 GLN HGy A 38 GLN HA 1.0 1.8 5.0 252 221 A 38 GLN HGx A 38 GLN HA 1.0 1.8 5.0 253 222 A 39 ARG H A 39 ARG HB2 1.0 1.8 5.0 254 222 A 39 ARG HB3 A 39 ARG H 1.0 1.8 5.0 255 223 A 39 ARG H A 39 ARG HDy 1.0 1.8 5.0 256 224 A 39 ARG H A 39 ARG HGy 1.0 1.8 5.0 257 224 A 39 ARG H A 39 ARG HGx 1.0 1.8 5.0 258 225 A 39 ARG HDy A 39 ARG HA 1.0 1.8 5.0 259 226 A 39 ARG HA A 39 ARG HDx 1.0 1.8 5.0 260 227 A 39 ARG HA A 39 ARG HGy 1.0 1.8 5.0 261 228 A 39 ARG HGx A 39 ARG HA 1.0 1.8 5.0 262 229 A 39 ARG HDy A 39 ARG HB2 1.0 1.8 5.0 263 229 A 39 ARG HB3 A 39 ARG HDy 1.0 1.8 5.0 264 230 A 39 ARG HA A 39 ARG HGy 1.0 1.8 5.0 265 230 A 39 ARG HGx A 39 ARG HA 1.0 1.8 5.0 266 231 A 40 CYS HBy A 40 CYS H 1.0 1.8 5.0 267 232 A 40 CYS H A 40 CYS HBx 1.0 1.8 5.0 268 233 A 41 ALA HB% A 41 ALA H 1.0 1.8 5.0 269 234 A 42 GLN H A 42 GLN HBx 1.0 1.8 5.0 270 234 A 42 GLN HBy A 42 GLN H 1.0 1.8 5.0 271 235 A 42 GLN HE2x A 42 GLN HG2 1.0 1.8 5.0 272 235 A 42 GLN HE2x A 42 GLN HG3 1.0 1.8 5.0 273 236 A 42 GLN HE2y A 42 GLN HG2 1.0 1.8 5.0 274 236 A 42 GLN HG3 A 42 GLN HE2y 1.0 1.8 5.0 275 237 A 42 GLN H A 42 GLN HG2 1.0 1.8 5.0 276 237 A 42 GLN H A 42 GLN HG3 1.0 1.8 5.0 277 238 A 42 GLN HA A 42 GLN HG2 1.0 1.8 5.0 278 238 A 42 GLN HG3 A 42 GLN HA 1.0 1.8 5.0 279 239 A 43 LYS HA A 43 LYS HG2 1.0 1.8 5.5 280 239 A 43 LYS HA A 43 LYS HG3 1.0 1.8 5.5 281 240 A 43 LYS HE3 A 43 LYS HG2 1.0 1.8 5.5 282 240 A 43 LYS HG3 A 43 LYS HE2 1.0 1.8 5.5 283 240 A 43 LYS HG3 A 43 LYS HE3 1.0 1.8 5.5 284 240 A 43 LYS HE2 A 43 LYS HG2 1.0 1.8 5.5 285 241 A 43 LYS HA A 43 LYS HD2 1.0 1.8 5.0 286 241 A 43 LYS HA A 43 LYS HD3 1.0 1.8 5.0 287 242 A 45 PRO HA A 45 PRO HD2 1.0 1.8 5.5 288 242 A 45 PRO HA A 45 PRO HD3 1.0 1.8 5.5 289 243 A 46 ARG HBy A 46 ARG H 1.0 1.8 5.5 290 244 A 46 ARG HA A 46 ARG HD2 1.0 1.8 5.5 291 244 A 46 ARG HA A 46 ARG HD3 1.0 1.8 5.5 292 245 A 46 ARG HA A 46 ARG HG2 1.0 1.8 5.5 293 245 A 46 ARG HA A 46 ARG HG3 1.0 1.8 5.5 294 246 A 47 VAL HB A 47 VAL H 1.0 1.8 4.0 295 247 A 47 VAL HA A 47 VAL HGx% 1.0 1.8 5.0 296 248 A 47 VAL HA A 47 VAL HGy% 1.0 1.8 5.0 297 249 A 48 ALA HB% A 48 ALA H 1.0 1.8 5.5 298 250 A 49 PRO HA A 49 PRO HDy 1.0 1.8 5.0 299 251 A 49 PRO HA A 49 PRO HDx 1.0 1.8 5.0 300 252 A 49 PRO HA A 49 PRO HGx 1.0 1.8 5.5 301 252 A 49 PRO HA A 49 PRO HGy 1.0 1.8 5.5 302 253 A 53 PRO HBy A 53 PRO HDy 1.0 1.8 3.5 303 254 A 53 PRO HDy A 53 PRO HBx 1.0 1.8 4.0 304 255 A 53 PRO HBy A 53 PRO HDx 1.0 1.8 5.5 305 256 A 53 PRO HBx A 53 PRO HDx 1.0 1.8 5.5 306 257 A 53 PRO HA A 53 PRO HG2 1.0 1.8 5.0 307 257 A 53 PRO HA A 53 PRO HG3 1.0 1.8 5.0 308 258 A 54 PRO HBy A 54 PRO HDy 1.0 1.8 5.5 309 259 A 54 PRO HDy A 54 PRO HA 1.0 1.8 5.5 310 260 A 54 PRO HA A 54 PRO HDx 1.0 1.8 5.5 311 261 A 55 TRP HBy A 55 TRP HE3 1.0 1.8 5.0 312 262 A 55 TRP HE3 A 55 TRP HBx 1.0 1.8 5.5 313 263 A 55 TRP HA A 55 TRP HD1 1.0 1.8 3.5 314 264 A 55 TRP HBx A 55 TRP HD1 1.0 1.8 5.5 315 265 A 56 PRO HA A 56 PRO HGy 1.0 1.8 3.5 316 266 A 56 PRO HBx A 56 PRO HD2 1.0 1.8 5.0 317 266 A 56 PRO HBx A 56 PRO HD3 1.0 1.8 5.0 318 267 A 58 LEU HA A 58 LEU HDx% 1.0 1.8 5.0 319 268 A 58 LEU HA A 58 LEU HDy% 1.0 1.8 5.0 320 269 A 58 LEU HBx A 58 LEU HDx% 1.0 1.8 5.0 321 269 A 58 LEU HDx% A 58 LEU HBy 1.0 1.8 5.0 322 270 A 58 LEU HBx A 58 LEU HDy% 1.0 1.8 5.0 323 270 A 58 LEU HBy A 58 LEU HDy% 1.0 1.8 5.0 324 271 A 58 LEU HA A 58 LEU HDy% 1.0 1.8 5.0 325 271 A 58 LEU HA A 58 LEU HDx% 1.0 1.8 5.0 326 272 A 58 LEU HA A 58 LEU HG 1.0 1.8 5.5 327 273 A 59 ARG H A 59 ARG HB2 1.0 1.8 5.0 328 273 A 59 ARG HB3 A 59 ARG H 1.0 1.8 5.0 329 274 A 59 ARG H A 59 ARG HGy 1.0 1.8 5.0 330 275 A 59 ARG H A 59 ARG HGx 1.0 1.8 5.0 331 276 A 59 ARG HA A 59 ARG HD2 1.0 1.8 5.0 332 276 A 59 ARG HA A 59 ARG HD3 1.0 1.8 5.0 333 277 A 59 ARG HGy A 59 ARG HA 1.0 1.8 5.0 334 278 A 59 ARG HGx A 59 ARG HA 1.0 1.8 5.0 335 279 A 60 SER H A 60 SER HB2 1.0 1.8 5.0 336 279 A 60 SER HB3 A 60 SER H 1.0 1.8 5.0 337 280 A 61 LEU HBy A 61 LEU H 1.0 1.8 5.5 338 281 A 61 LEU H A 61 LEU HBx 1.0 1.8 5.5 339 282 A 61 LEU H A 61 LEU HDy% 1.0 1.8 5.5 340 282 A 61 LEU H A 61 LEU HDx% 1.0 1.8 5.5 341 283 A 61 LEU HA A 61 LEU HG 1.0 1.8 5.0 342 284 A 61 LEU HBy A 61 LEU HDy% 1.0 1.8 5.0 343 284 A 61 LEU HBy A 61 LEU HDx% 1.0 1.8 5.0 344 285 A 61 LEU HBx A 61 LEU HDy% 1.0 1.8 4.0 345 285 A 61 LEU HBx A 61 LEU HDx% 1.0 1.8 4.0 346 286 A 61 LEU HDx% A 61 LEU HA 1.0 1.8 5.5 347 287 A 61 LEU HA A 61 LEU HDy% 1.0 1.8 5.5 348 288 A 62 LEU HBy A 62 LEU H 1.0 1.8 5.5 349 289 A 62 LEU H A 62 LEU HBx 1.0 1.8 5.0 350 290 A 62 LEU H A 62 LEU HDy% 1.0 1.8 5.0 351 290 A 62 LEU H A 62 LEU HDx% 1.0 1.8 5.0 352 291 A 62 LEU H A 62 LEU HG 1.0 1.8 5.0 353 292 A 62 LEU HDx% A 62 LEU HA 1.0 1.8 5.0 354 293 A 62 LEU HBy A 62 LEU HDy% 1.0 1.8 5.0 355 294 A 62 LEU HBx A 62 LEU HDy% 1.0 1.8 5.0 356 295 A 62 LEU HA A 62 LEU HDy% 1.0 1.8 5.0 357 296 A 62 LEU HG A 62 LEU HA 1.0 1.8 5.0 358 297 A 63 HIS H A 63 HIS HB2 1.0 1.8 5.0 359 297 A 63 HIS HB3 A 63 HIS H 1.0 1.8 5.0 360 298 A 63 HIS HA A 63 HIS HD2 1.0 1.8 5.0 361 299 A 63 HIS HD2 A 63 HIS HB2 1.0 1.8 5.0 362 299 A 63 HIS HB3 A 63 HIS HD2 1.0 1.8 5.0 363 300 A 64 ARG HBy A 64 ARG H 1.0 1.8 5.5 364 301 A 64 ARG H A 64 ARG HBx 1.0 1.8 5.0 365 302 A 64 ARG H A 64 ARG HD2 1.0 1.8 4.0 366 302 A 64 ARG H A 64 ARG HD3 1.0 1.8 4.0 367 303 A 64 ARG H A 64 ARG HGy 1.0 1.8 5.5 368 304 A 64 ARG H A 64 ARG HGx 1.0 1.8 5.0 369 305 A 64 ARG HA A 64 ARG HD2 1.0 1.8 5.5 370 305 A 64 ARG HD3 A 64 ARG HA 1.0 1.8 5.5 371 306 A 64 ARG HGx A 64 ARG HA 1.0 1.8 5.5 372 307 A 64 ARG HBy A 64 ARG HD2 1.0 1.8 5.5 373 307 A 64 ARG HBy A 64 ARG HD3 1.0 1.8 5.5 374 308 A 64 ARG HBx A 64 ARG HD2 1.0 1.8 5.0 375 308 A 64 ARG HBx A 64 ARG HD3 1.0 1.8 5.0 376 309 A 64 ARG HGy A 64 ARG HA 1.0 1.8 5.5 377 310 A 65 ASN HA A 65 ASN HD2y 1.0 1.8 5.0 378 311 A 65 ASN HBy A 65 ASN HD2x 1.0 1.8 5.0 379 312 A 65 ASN HD2y A 65 ASN HBy 1.0 1.8 5.0 380 313 A 65 ASN HBy A 65 ASN H 1.0 1.8 5.0 381 314 A 65 ASN HD2x A 65 ASN HBx 1.0 1.8 4.0 382 315 A 65 ASN HD2y A 65 ASN HBx 1.0 1.8 5.0 383 316 A 65 ASN H A 65 ASN HBx 1.0 1.8 5.0 384 317 A 65 ASN HD2y A 65 ASN H 1.0 1.8 5.0 385 318 A 66 LEU HBy A 66 LEU H 1.0 1.8 5.0 386 319 A 66 LEU H A 66 LEU HBx 1.0 1.8 5.0 387 320 A 66 LEU H A 66 LEU HDx% 1.0 1.8 5.5 388 321 A 66 LEU H A 66 LEU HDy% 1.0 1.8 5.5 389 322 A 66 LEU H A 66 LEU HG 1.0 1.8 5.0 390 323 A 66 LEU HDx% A 66 LEU HA 1.0 1.8 5.0 391 324 A 66 LEU HDy% A 66 LEU HA 1.0 1.8 5.0 392 325 A 66 LEU HG A 66 LEU HA 1.0 1.8 5.0 393 326 A 66 LEU HBy A 66 LEU HDx% 1.0 1.8 5.0 394 327 A 66 LEU HBx A 66 LEU HDx% 1.0 1.8 5.0 395 328 A 66 LEU HBy A 66 LEU HDy% 1.0 1.8 4.0 396 329 A 66 LEU HBx A 66 LEU HDy% 1.0 1.8 5.5 397 330 A 67 VAL HB A 67 VAL H 1.0 1.8 5.5 398 331 A 67 VAL H A 67 VAL HGx% 1.0 1.8 5.5 399 332 A 67 VAL H A 67 VAL HGy% 1.0 1.8 5.5 400 333 A 67 VAL HGx% A 67 VAL HA 1.0 1.8 5.0 401 334 A 67 VAL HGy% A 67 VAL HA 1.0 1.8 5.0 402 335 A 68 LEU HBy A 68 LEU H 1.0 1.8 5.5 403 336 A 68 LEU H A 68 LEU HBx 1.0 1.8 5.0 404 337 A 68 LEU H A 68 LEU HDx% 1.0 1.8 5.0 405 338 A 68 LEU H A 68 LEU HDy% 1.0 1.8 4.0 406 339 A 68 LEU H A 68 LEU HG 1.0 1.8 5.0 407 340 A 68 LEU HDx% A 68 LEU HA 1.0 1.8 5.0 408 341 A 68 LEU HDy% A 68 LEU HA 1.0 1.8 5.0 409 342 A 68 LEU HBy A 68 LEU HDx% 1.0 1.8 5.0 410 343 A 68 LEU HBx A 68 LEU HDx% 1.0 1.8 5.0 411 344 A 68 LEU HBy A 68 LEU HDy% 1.0 1.8 5.0 412 345 A 68 LEU HBx A 68 LEU HDy% 1.0 1.8 5.5 413 346 A 68 LEU HG A 68 LEU HA 1.0 1.8 5.0 414 347 A 69 ARG HBy A 69 ARG H 1.0 1.8 5.0 415 348 A 69 ARG H A 69 ARG HBx 1.0 1.8 5.0 416 349 A 69 ARG H A 69 ARG HG2 1.0 1.8 5.5 417 349 A 69 ARG H A 69 ARG HG3 1.0 1.8 5.5 418 350 A 69 ARG HA A 69 ARG HDy 1.0 1.8 5.5 419 351 A 69 ARG HBy A 69 ARG HDy 1.0 1.8 5.5 420 352 A 69 ARG HBx A 69 ARG HDy 1.0 1.8 5.0 421 353 A 69 ARG HBy A 69 ARG HDx 1.0 1.8 5.5 422 354 A 69 ARG HBx A 69 ARG HDx 1.0 1.8 5.0 423 355 A 69 ARG HA A 69 ARG HG2 1.0 1.8 4.0 424 355 A 69 ARG HG3 A 69 ARG HA 1.0 1.8 4.0 425 356 A 70 THR HB A 70 THR H 1.0 1.8 4.0 426 357 A 70 THR H A 70 THR HG2% 1.0 1.8 5.5 427 358 A 70 THR HG2% A 70 THR HA 1.0 1.8 5.5 428 359 A 71 HIS HBy A 71 HIS H 1.0 1.8 5.0 429 360 A 71 HIS H A 71 HIS HBx 1.0 1.8 4.0 430 361 A 71 HIS HBx A 71 HIS HD2 1.0 1.8 5.0 431 362 A 71 HIS HD2 A 71 HIS HA 1.0 1.8 5.0 432 363 A 71 HIS HBy A 71 HIS HD2 1.0 1.8 5.0 433 364 A 72 GLN H A 72 GLN HB2 1.0 1.8 5.0 434 364 A 72 GLN HB3 A 72 GLN H 1.0 1.8 5.0 435 365 A 72 GLN HE2x A 72 GLN HG2 1.0 1.8 5.0 436 365 A 72 GLN HE2x A 72 GLN HG3 1.0 1.8 5.0 437 366 A 72 GLN HE2y A 72 GLN HG2 1.0 1.8 5.0 438 366 A 72 GLN HG3 A 72 GLN HE2y 1.0 1.8 5.0 439 367 A 72 GLN H A 72 GLN HG2 1.0 1.8 5.0 440 367 A 72 GLN H A 72 GLN HG3 1.0 1.8 5.0 441 368 A 72 GLN HA A 72 GLN HG2 1.0 1.8 5.0 442 368 A 72 GLN HG3 A 72 GLN HA 1.0 1.8 5.0 443 369 A 73 PRO HA A 73 PRO HG2 1.0 1.8 5.0 444 369 A 73 PRO HA A 73 PRO HG3 1.0 1.8 5.0 445 370 A 73 PRO HBy A 73 PRO HD2 1.0 1.8 5.0 446 370 A 73 PRO HBy A 73 PRO HD3 1.0 1.8 5.0 447 371 A 73 PRO HBx A 73 PRO HD2 1.0 1.8 5.5 448 371 A 73 PRO HD3 A 73 PRO HBx 1.0 1.8 5.5 449 372 A 73 PRO HA A 73 PRO HD2 1.0 1.8 4.0 450 372 A 73 PRO HA A 73 PRO HD3 1.0 1.8 4.0 451 373 A 74 ALA HB% A 74 ALA H 1.0 1.8 3.5 452 374 A 75 ARG HBy A 75 ARG H 1.0 1.8 5.5 453 375 A 75 ARG H A 75 ARG HBx 1.0 1.8 5.0 454 376 A 75 ARG HBy A 75 ARG HDx 1.0 1.8 4.0 455 377 A 75 ARG HBx A 75 ARG HDx 1.0 1.8 4.0 456 378 A 75 ARG HDx A 75 ARG HA 1.0 1.8 5.5 457 379 A 76 TYR HBy A 76 TYR H 1.0 1.8 5.5 458 380 A 76 TYR H A 76 TYR HBx 1.0 1.8 5.0 459 381 A 76 TYR H A 76 TYR HD% 1.0 1.8 5.0 460 382 A 76 TYR H A 76 TYR HE% 1.0 1.8 5.0 461 383 A 76 TYR HD% A 76 TYR HA 1.0 1.8 5.0 462 384 A 76 TYR HE% A 76 TYR HA 1.0 1.8 5.5 463 385 A 76 TYR HBy A 76 TYR HD% 1.0 1.8 5.5 464 386 A 76 TYR HBx A 76 TYR HD% 1.0 1.8 5.0 465 387 A 77 SER H A 77 SER HB2 1.0 1.8 5.0 466 387 A 77 SER HB3 A 77 SER H 1.0 1.8 5.0 467 388 A 78 LEU HBy A 78 LEU H 1.0 1.8 5.0 468 389 A 78 LEU H A 78 LEU HBx 1.0 1.8 5.0 469 390 A 78 LEU H A 78 LEU HDx% 1.0 1.8 5.0 470 391 A 78 LEU H A 78 LEU HDy% 1.0 1.8 5.0 471 392 A 78 LEU H A 78 LEU HG 1.0 1.8 5.0 472 393 A 78 LEU HDx% A 78 LEU HA 1.0 1.8 5.0 473 394 A 78 LEU HBy A 78 LEU HDx% 1.0 1.8 5.0 474 395 A 78 LEU HBx A 78 LEU HDx% 1.0 1.8 4.0 475 396 A 78 LEU HDy% A 78 LEU HA 1.0 1.8 5.5 476 397 A 79 THR HB A 79 THR H 1.0 1.8 5.5 477 398 A 79 THR H A 79 THR HG1 1.0 1.8 5.0 478 399 A 79 THR H A 79 THR HG2% 1.0 1.8 5.5 479 400 A 79 THR HG2% A 79 THR HA 1.0 1.8 5.5 480 401 A 80 PRO HBx A 80 PRO HD2 1.0 1.8 5.5 481 401 A 80 PRO HBx A 80 PRO HD3 1.0 1.8 5.5 482 402 A 80 PRO HA A 80 PRO HD2 1.0 1.8 5.5 483 402 A 80 PRO HD3 A 80 PRO HA 1.0 1.8 5.5 484 403 A 80 PRO HA A 80 PRO HGx 1.0 1.8 5.0 485 404 A 81 GLU HBy A 81 GLU H 1.0 1.8 5.5 486 405 A 81 GLU H A 81 GLU HBx 1.0 1.8 5.5 487 406 A 81 GLU H A 81 GLU HGy 1.0 1.8 5.5 488 407 A 81 GLU H A 81 GLU HGx 1.0 1.8 5.0 489 408 A 81 GLU HGy A 81 GLU HA 1.0 1.8 5.5 490 409 A 81 GLU HGx A 81 GLU HA 1.0 1.8 5.5 491 410 A 83 LEU HBy A 83 LEU H 1.0 1.8 5.5 492 411 A 83 LEU H A 83 LEU HBx 1.0 1.8 5.0 493 412 A 83 LEU H A 83 LEU HDy% 1.0 1.8 5.0 494 412 A 83 LEU H A 83 LEU HDx% 1.0 1.8 5.0 495 413 A 83 LEU HDx% A 83 LEU HA 1.0 1.8 5.0 496 414 A 83 LEU HA A 83 LEU HDy% 1.0 1.8 5.0 497 415 A 83 LEU HBx A 83 LEU HDx% 1.0 1.8 5.0 498 416 A 83 LEU HBx A 83 LEU HDy% 1.0 1.8 5.0 499 417 A 83 LEU HBy A 83 LEU HDy% 1.0 1.8 5.0 500 417 A 83 LEU HBy A 83 LEU HDx% 1.0 1.8 5.0 501 418 A 84 GLU H A 84 GLU HB2 1.0 1.8 5.0 502 418 A 84 GLU HB3 A 84 GLU H 1.0 1.8 5.0 503 419 A 84 GLU H A 84 GLU HGy 1.0 1.8 5.0 504 420 A 84 GLU H A 84 GLU HGx 1.0 1.8 4.0 505 421 A 84 GLU HGx A 84 GLU HA 1.0 1.8 5.0 506 422 A 84 GLU HGy A 84 GLU HA 1.0 1.8 5.0 507 423 A 85 LEU HBy A 85 LEU H 1.0 1.8 5.0 508 424 A 85 LEU H A 85 LEU HBx 1.0 1.8 4.0 509 425 A 85 LEU H A 85 LEU HDx% 1.0 1.8 5.0 510 426 A 85 LEU H A 85 LEU HDy% 1.0 1.8 5.0 511 427 A 85 LEU H A 85 LEU HG 1.0 1.8 5.0 512 428 A 85 LEU HDx% A 85 LEU HA 1.0 1.8 5.0 513 429 A 85 LEU HDy% A 85 LEU HA 1.0 1.8 4.0 514 430 A 85 LEU HBy A 85 LEU HDx% 1.0 1.8 5.0 515 431 A 85 LEU HBy A 85 LEU HDy% 1.0 1.8 5.0 516 432 A 85 LEU HBx A 85 LEU HDx% 1.0 1.8 5.5 517 433 A 85 LEU HBx A 85 LEU HDy% 1.0 1.8 5.0 518 434 A 85 LEU HG A 85 LEU HA 1.0 1.8 5.0 519 435 A 86 ALA HB% A 86 ALA H 1.0 1.8 5.0 520 436 A 87 GLN HBy A 87 GLN H 1.0 1.8 5.0 521 437 A 87 GLN H A 87 GLN HBx 1.0 1.8 3.5 522 438 A 87 GLN HE2y A 87 GLN HGy 1.0 1.8 4.0 523 439 A 87 GLN H A 87 GLN HGy 1.0 1.8 3.5 524 440 A 87 GLN HE2y A 87 GLN HGx 1.0 1.8 3.0 525 441 A 87 GLN H A 87 GLN HGx 1.0 1.8 5.0 526 442 A 87 GLN HA A 87 GLN HGy 1.0 1.8 3.0 527 443 A 87 GLN HA A 87 GLN HGx 1.0 1.8 5.0 528 444 A 88 LYS H A 88 LYS HBy 1.0 1.8 5.0 529 445 A 88 LYS H A 88 LYS HBx 1.0 1.8 5.0 530 446 A 88 LYS H A 88 LYS HGy 1.0 1.8 5.0 531 447 A 88 LYS H A 88 LYS HGx 1.0 1.8 4.0 532 448 A 88 LYS HA A 88 LYS HE2 1.0 1.8 5.0 533 448 A 88 LYS HA A 88 LYS HE3 1.0 1.8 5.0 534 449 A 88 LYS HGy A 88 LYS HA 1.0 1.8 5.0 535 450 A 88 LYS HGy A 88 LYS HE2 1.0 1.8 5.0 536 450 A 88 LYS HGy A 88 LYS HE3 1.0 1.8 5.0 537 451 A 88 LYS HGx A 88 LYS HE2 1.0 1.8 5.0 538 451 A 88 LYS HGx A 88 LYS HE3 1.0 1.8 5.0 539 452 A 88 LYS HGx A 88 LYS HA 1.0 1.8 5.5 540 453 A 89 LEU HBy A 89 LEU H 1.0 1.8 5.0 541 454 A 89 LEU H A 89 LEU HBx 1.0 1.8 5.0 542 455 A 89 LEU H A 89 LEU HDx% 1.0 1.8 5.0 543 456 A 89 LEU H A 89 LEU HDy% 1.0 1.8 4.0 544 457 A 89 LEU H A 89 LEU HG 1.0 1.8 5.0 545 458 A 89 LEU HDx% A 89 LEU HA 1.0 1.8 5.0 546 459 A 89 LEU HDy% A 89 LEU HA 1.0 1.8 5.0 547 460 A 89 LEU HG A 89 LEU HA 1.0 1.8 5.0 548 461 A 89 LEU HBy A 89 LEU HDx% 1.0 1.8 4.0 549 462 A 89 LEU HBy A 89 LEU HDy% 1.0 1.8 5.0 550 463 A 89 LEU HBx A 89 LEU HDx% 1.0 1.8 5.0 551 464 A 89 LEU HBx A 89 LEU HDy% 1.0 1.8 5.0 552 465 A 90 ALA HB% A 90 ALA H 1.0 1.8 5.0 553 466 A 91 GLU H A 91 GLU HB2 1.0 1.8 5.0 554 466 A 91 GLU HB3 A 91 GLU H 1.0 1.8 5.0 555 467 A 91 GLU H A 91 GLU HGy 1.0 1.8 5.0 556 468 A 91 GLU H A 91 GLU HGx 1.0 1.8 5.5 557 469 A 91 GLU HGx A 91 GLU HA 1.0 1.8 5.5 558 470 A 91 GLU HGy A 91 GLU HA 1.0 1.8 5.5 559 471 A 92 SER H A 92 SER HB2 1.0 1.8 5.0 560 471 A 92 SER HB3 A 92 SER H 1.0 1.8 5.0 561 472 A 93 GLU HBy A 93 GLU H 1.0 1.8 5.0 562 473 A 93 GLU H A 93 GLU HBx 1.0 1.8 3.5 563 474 A 93 GLU H A 93 GLU HGy 1.0 1.8 5.0 564 475 A 93 GLU HGy A 93 GLU HA 1.0 1.8 4.0 565 476 A 93 GLU HA A 93 GLU HGx 1.0 1.8 3.0 566 477 A 95 LEU H A 95 LEU HB2 1.0 1.8 4.0 567 477 A 95 LEU HB3 A 95 LEU H 1.0 1.8 4.0 568 478 A 95 LEU H A 95 LEU HDy% 1.0 1.8 4.0 569 478 A 95 LEU H A 95 LEU HDx% 1.0 1.8 4.0 570 479 A 97 LEU H A 97 LEU HB2 1.0 1.8 4.0 571 479 A 97 LEU HB3 A 97 LEU H 1.0 1.8 4.0 572 480 A 98 LEU H A 98 LEU HB2 1.0 1.8 4.0 573 480 A 98 LEU HB3 A 98 LEU H 1.0 1.8 4.0 574 481 A 98 LEU H A 98 LEU HDy% 1.0 1.8 5.0 575 481 A 98 LEU H A 98 LEU HDx% 1.0 1.8 5.0 576 482 A 98 LEU HDx% A 98 LEU HA 1.0 1.8 5.0 577 483 A 98 LEU HA A 98 LEU HDy% 1.0 1.8 4.0 578 484 A 100 VAL HB A 100 VAL H 1.0 1.8 5.5 579 485 A 100 VAL H A 100 VAL HGx% 1.0 1.8 4.0 580 485 A 100 VAL H A 100 VAL HGy% 1.0 1.8 4.0 581 486 A 100 VAL HA A 100 VAL HGx% 1.0 1.8 5.5 582 487 A 100 VAL HGy% A 100 VAL HA 1.0 1.8 5.0 583 488 A 102 ILE HB A 102 ILE H 1.0 1.8 5.0 584 489 A 102 ILE H A 102 ILE HD1% 1.0 1.8 5.0 585 490 A 102 ILE H A 102 ILE HG1y 1.0 1.8 4.0 586 491 A 102 ILE H A 102 ILE HG1x 1.0 1.8 4.0 587 492 A 102 ILE H A 102 ILE HG2% 1.0 1.8 4.0 588 493 A 102 ILE HD1% A 102 ILE HA 1.0 1.8 5.0 589 494 A 102 ILE HG1y A 102 ILE HA 1.0 1.8 4.0 590 495 A 102 ILE HG2% A 102 ILE HA 1.0 1.8 5.0 591 496 A 102 ILE HB A 102 ILE HD1% 1.0 1.8 5.0 592 497 A 102 ILE HG1x A 102 ILE HA 1.0 1.8 5.0 593 498 A 3 TYR HA A 4 TRP H 1.0 1.8 5.0 594 499 A 3 TYR HD% A 4 TRP H 1.0 1.8 5.0 595 500 A 4 TRP HA A 5 PRO HG2 1.0 1.8 3.5 596 500 A 4 TRP HA A 5 PRO HG3 1.0 1.8 3.5 597 501 A 4 TRP HA A 5 PRO HA 1.0 1.8 5.0 598 502 A 4 TRP HA A 5 PRO HDy 1.0 1.8 5.0 599 503 A 4 TRP HA A 5 PRO HDx 1.0 1.8 5.0 600 504 A 5 PRO HA A 6 ALA H 1.0 1.8 5.0 601 505 A 5 PRO HBy A 6 ALA H 1.0 1.8 5.0 602 506 A 5 PRO HBx A 6 ALA H 1.0 1.8 5.0 603 507 A 6 ALA H A 5 PRO HG2 1.0 1.8 5.0 604 507 A 5 PRO HG3 A 6 ALA H 1.0 1.8 5.0 605 508 A 6 ALA HB% A 7 ARG HA 1.0 1.8 5.0 606 509 A 7 ARG HBy A 8 HIS HD2 1.0 1.8 5.0 607 510 A 7 ARG HBx A 8 HIS HD2 1.0 1.8 5.0 608 511 A 9 SER H A 8 HIS HA 1.0 1.8 3.0 609 512 A 8 HIS HBx A 9 SER H 1.0 1.8 5.5 610 513 A 12 ARG H A 11 ALA HA 1.0 1.8 5.5 611 514 A 11 ALA H A 12 ARG H 1.0 1.8 4.0 612 515 A 12 ARG HA A 13 VAL H 1.0 1.8 5.5 613 516 A 12 ARG H A 13 VAL H 1.0 1.8 5.0 614 517 A 12 ARG H A 13 VAL HGx% 1.0 1.8 5.0 615 518 A 12 ARG HBx A 13 VAL HA 1.0 1.8 4.0 616 519 A 13 VAL HA A 14 ILE H 1.0 1.8 3.0 617 520 A 13 VAL HB A 14 ILE H 1.0 1.8 5.0 618 521 A 13 VAL HGy% A 14 ILE H 1.0 1.8 5.0 619 522 A 13 VAL HGy% A 14 ILE HA 1.0 1.8 3.5 620 523 A 13 VAL HB A 14 ILE HA 1.0 1.8 4.0 621 524 A 14 ILE HB A 15 LEU H 1.0 1.8 4.0 622 525 A 14 ILE HG2% A 15 LEU H 1.0 1.8 3.5 623 526 A 14 ILE H A 15 LEU H 1.0 1.8 3.5 624 527 A 14 ILE HB A 15 LEU HDx% 1.0 1.8 5.0 625 528 A 14 ILE HG1x A 15 LEU HDx% 1.0 1.8 4.0 626 529 A 14 ILE HG2% A 15 LEU HA 1.0 1.8 5.0 627 530 A 15 LEU HA A 16 LEU H 1.0 1.8 5.5 628 531 A 15 LEU HBy A 16 LEU H 1.0 1.8 4.0 629 532 A 15 LEU HBx A 16 LEU H 1.0 1.8 4.0 630 533 A 15 LEU H A 16 LEU H 1.0 1.8 4.0 631 534 A 16 LEU HA A 17 VAL H 1.0 1.8 5.0 632 535 A 16 LEU HBy A 17 VAL H 1.0 1.8 5.0 633 536 A 16 LEU HBx A 17 VAL H 1.0 1.8 3.5 634 537 A 17 VAL H A 16 LEU HDy% 1.0 1.8 3.5 635 538 A 16 LEU HG A 17 VAL H 1.0 1.8 3.5 636 539 A 16 LEU H A 17 VAL H 1.0 1.8 5.0 637 540 A 16 LEU H A 17 VAL HB 1.0 1.8 5.0 638 541 A 16 LEU HBy A 17 VAL HGx% 1.0 1.8 5.0 639 542 A 16 LEU HBx A 17 VAL HGx% 1.0 1.8 5.0 640 543 A 17 VAL HA A 18 LEU H 1.0 1.8 3.5 641 544 A 17 VAL HB A 18 LEU H 1.0 1.8 5.0 642 545 A 17 VAL HGy% A 18 LEU H 1.0 1.8 3.0 643 546 A 17 VAL H A 18 LEU H 1.0 1.8 5.0 644 547 A 18 LEU HA A 19 TYR H 1.0 1.8 5.0 645 548 A 18 LEU HBy A 19 TYR H 1.0 1.8 5.0 646 549 A 18 LEU HBx A 19 TYR H 1.0 1.8 4.0 647 550 A 18 LEU HDy% A 19 TYR H 1.0 1.8 5.0 648 551 A 18 LEU HG A 19 TYR H 1.0 1.8 4.0 649 552 A 18 LEU H A 19 TYR H 1.0 1.8 5.0 650 553 A 18 LEU H A 19 TYR HBx 1.0 1.8 5.0 651 554 A 18 LEU HBy A 19 TYR HA 1.0 1.8 4.0 652 555 A 19 TYR HA A 20 ARG H 1.0 1.8 3.5 653 556 A 19 TYR HBy A 20 ARG H 1.0 1.8 5.0 654 557 A 19 TYR HBx A 20 ARG H 1.0 1.8 5.0 655 558 A 19 TYR HD% A 20 ARG H 1.0 1.8 5.0 656 559 A 19 TYR H A 20 ARG H 1.0 1.8 4.0 657 560 A 19 TYR HD% A 20 ARG HA 1.0 1.8 5.0 658 561 A 19 TYR HD% A 20 ARG HGy 1.0 1.8 5.0 659 562 A 20 ARG HA A 21 GLU H 1.0 1.8 5.5 660 563 A 21 GLU H A 20 ARG HB2 1.0 1.8 5.5 661 563 A 20 ARG HB3 A 21 GLU H 1.0 1.8 5.5 662 564 A 20 ARG HD3 A 21 GLU H 1.0 1.8 5.5 663 565 A 21 GLU H A 20 ARG HD2 1.0 1.8 5.0 664 566 A 20 ARG HGy A 21 GLU H 1.0 1.8 3.5 665 567 A 20 ARG HGx A 21 GLU H 1.0 1.8 3.5 666 568 A 20 ARG H A 21 GLU H 1.0 1.8 5.0 667 569 A 21 GLU HA A 22 HIS H 1.0 1.8 5.0 668 570 A 21 GLU HBy A 22 HIS H 1.0 1.8 5.0 669 571 A 21 GLU HBx A 22 HIS H 1.0 1.8 3.0 670 572 A 22 HIS H A 21 GLU HG2 1.0 1.8 5.0 671 572 A 21 GLU HG3 A 22 HIS H 1.0 1.8 5.0 672 573 A 21 GLU H A 22 HIS H 1.0 1.8 5.0 673 574 A 21 GLU HA A 22 HIS HA 1.0 1.8 5.0 674 575 A 22 HIS HBy A 23 LEU H 1.0 1.8 5.0 675 576 A 22 HIS HBx A 23 LEU H 1.0 1.8 5.0 676 577 A 22 HIS HD2 A 23 LEU H 1.0 1.8 4.0 677 578 A 22 HIS H A 23 LEU HB2 1.0 1.8 5.0 678 578 A 22 HIS H A 23 LEU HB3 1.0 1.8 5.0 679 579 A 22 HIS H A 23 LEU HDy% 1.0 1.8 3.5 680 580 A 22 HIS H A 23 LEU H 1.0 1.8 5.0 681 581 A 22 HIS HBy A 23 LEU HDy% 1.0 1.8 5.0 682 582 A 22 HIS HD2 A 23 LEU HDy% 1.0 1.8 5.5 683 583 A 22 HIS HD2 A 23 LEU HG 1.0 1.8 5.0 684 584 A 22 HIS HD2 A 23 LEU HA 1.0 1.8 5.0 685 585 A 23 LEU HA A 24 ASN H 1.0 1.8 3.5 686 586 A 24 ASN H A 23 LEU HB2 1.0 1.8 3.5 687 586 A 23 LEU HB3 A 24 ASN H 1.0 1.8 3.5 688 587 A 23 LEU HDx% A 24 ASN H 1.0 1.8 5.0 689 588 A 23 LEU HDy% A 24 ASN H 1.0 1.8 5.0 690 589 A 23 LEU HG A 24 ASN H 1.0 1.8 3.5 691 590 A 24 ASN H A 25 PRO HDx 1.0 1.8 5.0 692 591 A 25 PRO HDx A 24 ASN HA 1.0 1.8 5.0 693 592 A 24 ASN HBy A 25 PRO HDy 1.0 1.8 5.0 694 593 A 24 ASN HBy A 25 PRO HDx 1.0 1.8 3.5 695 594 A 24 ASN HBx A 25 PRO HDy 1.0 1.8 3.5 696 595 A 24 ASN HBx A 25 PRO HDx 1.0 1.8 5.0 697 596 A 25 PRO HDy A 24 ASN HA 1.0 1.8 5.0 698 597 A 24 ASN HA A 25 PRO HG2 1.0 1.8 5.0 699 597 A 25 PRO HG3 A 24 ASN HA 1.0 1.8 5.0 700 598 A 25 PRO HA A 26 ASN H 1.0 1.8 3.5 701 599 A 25 PRO HBy A 26 ASN H 1.0 1.8 4.0 702 600 A 25 PRO HBx A 26 ASN H 1.0 1.8 5.5 703 601 A 25 PRO HBy A 26 ASN HA 1.0 1.8 3.5 704 602 A 26 ASN HA A 27 GLY H 1.0 1.8 5.0 705 603 A 26 ASN HBy A 27 GLY H 1.0 1.8 4.0 706 604 A 26 ASN HBx A 27 GLY H 1.0 1.8 3.0 707 605 A 26 ASN H A 27 GLY H 1.0 1.8 5.0 708 606 A 28 HIS H A 27 GLY HA2 1.0 1.8 4.0 709 606 A 28 HIS H A 27 GLY HA3 1.0 1.8 4.0 710 607 A 28 HIS HD2 A 27 GLY HA2 1.0 1.8 5.0 711 607 A 28 HIS HD2 A 27 GLY HA3 1.0 1.8 5.0 712 608 A 29 HIS HA A 30 PHE H 1.0 1.8 3.0 713 609 A 31 LEU H A 30 PHE HBx 1.0 1.8 5.0 714 609 A 30 PHE HBy A 31 LEU H 1.0 1.8 5.0 715 610 A 30 PHE HD% A 31 LEU H 1.0 1.8 4.0 716 611 A 30 PHE H A 31 LEU H 1.0 1.8 3.5 717 612 A 30 PHE HD% A 31 LEU HA 1.0 1.8 3.5 718 613 A 30 PHE HA A 31 LEU HBy 1.0 1.8 4.0 719 613 A 30 PHE HA A 31 LEU HBx 1.0 1.8 4.0 720 614 A 31 LEU HA A 32 THR H 1.0 1.8 4.0 721 615 A 32 THR H A 31 LEU HBy 1.0 1.8 5.0 722 616 A 32 THR H A 31 LEU HBx 1.0 1.8 5.0 723 617 A 32 THR H A 31 LEU HDy% 1.0 1.8 5.0 724 617 A 32 THR H A 31 LEU HDx% 1.0 1.8 5.0 725 618 A 31 LEU H A 32 THR H 1.0 1.8 5.5 726 619 A 32 THR HA A 33 LYS H 1.0 1.8 5.5 727 620 A 32 THR HB A 33 LYS H 1.0 1.8 4.0 728 621 A 32 THR HG2% A 33 LYS H 1.0 1.8 5.0 729 622 A 33 LYS HA A 34 GLU H 1.0 1.8 5.0 730 623 A 33 LYS HBx A 34 GLU H 1.0 1.8 5.0 731 624 A 34 GLU H A 33 LYS HDy 1.0 1.8 5.5 732 624 A 33 LYS HDx A 34 GLU H 1.0 1.8 5.5 733 625 A 34 GLU H A 33 LYS HG2 1.0 1.8 5.0 734 625 A 33 LYS HG3 A 34 GLU H 1.0 1.8 5.0 735 626 A 33 LYS H A 34 GLU H 1.0 1.8 5.0 736 627 A 34 GLU HA A 35 GLU H 1.0 1.8 5.5 737 628 A 34 GLU H A 35 GLU H 1.0 1.8 5.0 738 629 A 36 LEU H A 35 GLU HA 1.0 1.8 5.0 739 630 A 35 GLU HBx A 36 LEU H 1.0 1.8 5.0 740 631 A 35 GLU H A 36 LEU H 1.0 1.8 5.0 741 632 A 35 GLU H A 36 LEU HG 1.0 1.8 5.0 742 633 A 36 LEU HA A 37 LEU H 1.0 1.8 5.0 743 634 A 36 LEU HBx A 37 LEU H 1.0 1.8 5.5 744 635 A 36 LEU HDy% A 37 LEU H 1.0 1.8 4.0 745 636 A 36 LEU HBx A 37 LEU HDx% 1.0 1.8 5.0 746 637 A 36 LEU HBx A 37 LEU HDy% 1.0 1.8 5.0 747 638 A 37 LEU HA A 38 GLN H 1.0 1.8 5.0 748 639 A 37 LEU HBy A 38 GLN H 1.0 1.8 5.0 749 640 A 37 LEU HBx A 38 GLN H 1.0 1.8 5.5 750 641 A 37 LEU H A 38 GLN H 1.0 1.8 5.0 751 642 A 37 LEU H A 38 GLN HB2 1.0 1.8 4.0 752 642 A 37 LEU H A 38 GLN HB3 1.0 1.8 4.0 753 643 A 38 GLN HA A 39 ARG H 1.0 1.8 5.0 754 644 A 39 ARG H A 38 GLN HB2 1.0 1.8 4.0 755 644 A 38 GLN HB3 A 39 ARG H 1.0 1.8 4.0 756 645 A 38 GLN HGx A 39 ARG H 1.0 1.8 5.0 757 646 A 38 GLN H A 39 ARG HB2 1.0 1.8 5.0 758 646 A 38 GLN H A 39 ARG HB3 1.0 1.8 5.0 759 647 A 38 GLN H A 39 ARG H 1.0 1.8 4.0 760 648 A 40 CYS H A 39 ARG HB2 1.0 1.8 5.0 761 648 A 39 ARG HB3 A 40 CYS H 1.0 1.8 5.0 762 649 A 40 CYS H A 39 ARG HGy 1.0 1.8 5.0 763 649 A 39 ARG HGx A 40 CYS H 1.0 1.8 5.0 764 650 A 41 ALA H A 40 CYS HA 1.0 1.8 5.0 765 651 A 40 CYS HBy A 41 ALA H 1.0 1.8 4.0 766 652 A 40 CYS HBx A 41 ALA H 1.0 1.8 3.5 767 653 A 40 CYS H A 41 ALA H 1.0 1.8 5.0 768 654 A 40 CYS H A 41 ALA HB% 1.0 1.8 5.0 769 655 A 41 ALA HB% A 42 GLN H 1.0 1.8 4.0 770 656 A 42 GLN H A 43 LYS HBy 1.0 1.8 5.0 771 657 A 44 SER HA A 45 PRO HD2 1.0 1.8 5.5 772 657 A 45 PRO HD3 A 44 SER HA 1.0 1.8 5.5 773 658 A 44 SER HA A 45 PRO HG3 1.0 1.8 5.5 774 659 A 45 PRO HA A 46 ARG H 1.0 1.8 5.0 775 660 A 46 ARG HA A 47 VAL HGx% 1.0 1.8 5.0 776 660 A 46 ARG HA A 47 VAL HGy% 1.0 1.8 5.0 777 661 A 47 VAL HA A 48 ALA H 1.0 1.8 3.5 778 662 A 47 VAL HB A 48 ALA H 1.0 1.8 5.0 779 663 A 48 ALA H A 47 VAL HGx% 1.0 1.8 5.5 780 663 A 48 ALA H A 47 VAL HGy% 1.0 1.8 5.5 781 664 A 48 ALA HB% A 47 VAL HGx% 1.0 1.8 4.0 782 664 A 48 ALA HB% A 47 VAL HGy% 1.0 1.8 4.0 783 665 A 48 ALA HB% A 49 PRO HDy 1.0 1.8 3.5 784 666 A 48 ALA HB% A 49 PRO HDx 1.0 1.8 5.0 785 667 A 49 PRO HDy A 48 ALA HA 1.0 1.8 3.0 786 668 A 49 PRO HDx A 48 ALA HA 1.0 1.8 5.0 787 669 A 49 PRO HGy A 48 ALA HA 1.0 1.8 4.0 788 670 A 48 ALA HA A 49 PRO HGx 1.0 1.8 4.0 789 671 A 51 SER HA A 52 ALA HB% 1.0 1.8 5.0 790 672 A 53 PRO HDy A 52 ALA HB% 1.0 1.8 3.5 791 673 A 53 PRO HDx A 52 ALA HB% 1.0 1.8 5.0 792 674 A 53 PRO HDy A 52 ALA HA 1.0 1.8 5.0 793 675 A 53 PRO HDx A 52 ALA HA 1.0 1.8 5.0 794 676 A 52 ALA HA A 53 PRO HG2 1.0 1.8 5.0 795 676 A 53 PRO HG3 A 52 ALA HA 1.0 1.8 5.0 796 677 A 53 PRO HBy A 54 PRO HDy 1.0 1.8 4.0 797 678 A 53 PRO HBx A 54 PRO HDy 1.0 1.8 5.5 798 679 A 53 PRO HA A 54 PRO HDy 1.0 1.8 5.0 799 680 A 53 PRO HA A 54 PRO HDx 1.0 1.8 4.0 800 681 A 55 TRP HBy A 56 PRO HD2 1.0 1.8 5.0 801 681 A 55 TRP HBy A 56 PRO HD3 1.0 1.8 5.0 802 682 A 55 TRP HBx A 56 PRO HD2 1.0 1.8 5.0 803 682 A 55 TRP HBx A 56 PRO HD3 1.0 1.8 5.0 804 683 A 55 TRP HA A 56 PRO HD2 1.0 1.8 3.0 805 683 A 55 TRP HA A 56 PRO HD3 1.0 1.8 3.0 806 684 A 55 TRP HD1 A 56 PRO HD2 1.0 1.8 5.0 807 684 A 55 TRP HD1 A 56 PRO HD3 1.0 1.8 5.0 808 685 A 58 LEU HA A 59 ARG H 1.0 1.8 5.0 809 686 A 59 ARG H A 58 LEU HBy 1.0 1.8 5.0 810 687 A 59 ARG H A 58 LEU HDy% 1.0 1.8 3.5 811 687 A 58 LEU HDx% A 59 ARG H 1.0 1.8 3.5 812 688 A 58 LEU HG A 59 ARG H 1.0 1.8 5.0 813 689 A 59 ARG HGy A 58 LEU HDy% 1.0 1.8 4.0 814 690 A 60 SER H A 59 ARG HB2 1.0 1.8 5.0 815 690 A 59 ARG HB3 A 60 SER H 1.0 1.8 5.0 816 691 A 59 ARG H A 60 SER H 1.0 1.8 5.0 817 692 A 61 LEU H A 60 SER HA 1.0 1.8 5.0 818 693 A 60 SER H A 61 LEU H 1.0 1.8 3.5 819 694 A 61 LEU HBx A 60 SER HB2 1.0 1.8 5.0 820 694 A 60 SER HB3 A 61 LEU HBx 1.0 1.8 5.0 821 695 A 60 SER HB3 A 61 LEU HDy% 1.0 1.8 5.0 822 695 A 60 SER HB2 A 61 LEU HDy% 1.0 1.8 5.0 823 696 A 61 LEU HA A 62 LEU H 1.0 1.8 5.0 824 697 A 61 LEU HBy A 62 LEU H 1.0 1.8 3.5 825 698 A 62 LEU H A 61 LEU HDy% 1.0 1.8 4.0 826 698 A 61 LEU HDx% A 62 LEU H 1.0 1.8 4.0 827 699 A 61 LEU H A 62 LEU H 1.0 1.8 5.0 828 700 A 62 LEU HA A 63 HIS H 1.0 1.8 3.0 829 701 A 62 LEU HBy A 63 HIS H 1.0 1.8 5.0 830 702 A 62 LEU HBx A 63 HIS H 1.0 1.8 5.0 831 703 A 63 HIS H A 62 LEU HDy% 1.0 1.8 5.0 832 704 A 62 LEU HG A 63 HIS H 1.0 1.8 5.0 833 705 A 62 LEU H A 63 HIS H 1.0 1.8 4.0 834 706 A 62 LEU H A 63 HIS HB2 1.0 1.8 3.5 835 706 A 62 LEU H A 63 HIS HB3 1.0 1.8 3.5 836 707 A 63 HIS HA A 64 ARG H 1.0 1.8 5.0 837 708 A 64 ARG H A 63 HIS HB2 1.0 1.8 5.0 838 708 A 63 HIS HB3 A 64 ARG H 1.0 1.8 5.0 839 709 A 63 HIS H A 64 ARG H 1.0 1.8 5.0 840 710 A 64 ARG HGx A 63 HIS HB2 1.0 1.8 5.0 841 710 A 63 HIS HB3 A 64 ARG HGx 1.0 1.8 5.0 842 711 A 63 HIS HD2 A 64 ARG HGx 1.0 1.8 5.0 843 712 A 64 ARG HA A 65 ASN H 1.0 1.8 5.0 844 713 A 64 ARG HBy A 65 ASN H 1.0 1.8 5.0 845 714 A 64 ARG HBx A 65 ASN H 1.0 1.8 3.5 846 715 A 64 ARG HGx A 65 ASN H 1.0 1.8 5.0 847 716 A 64 ARG H A 65 ASN H 1.0 1.8 5.0 848 717 A 65 ASN HA A 66 LEU H 1.0 1.8 5.0 849 718 A 65 ASN HBx A 66 LEU H 1.0 1.8 3.5 850 719 A 65 ASN H A 66 LEU HDx% 1.0 1.8 4.0 851 720 A 65 ASN H A 66 LEU HDy% 1.0 1.8 3.0 852 721 A 65 ASN H A 66 LEU HG 1.0 1.8 5.5 853 722 A 66 LEU HA A 67 VAL H 1.0 1.8 3.5 854 723 A 66 LEU HBy A 67 VAL H 1.0 1.8 3.5 855 724 A 66 LEU HBx A 67 VAL H 1.0 1.8 3.5 856 725 A 66 LEU HDy% A 67 VAL H 1.0 1.8 5.0 857 726 A 66 LEU HG A 67 VAL H 1.0 1.8 3.0 858 727 A 66 LEU H A 67 VAL H 1.0 1.8 5.0 859 728 A 67 VAL HA A 68 LEU H 1.0 1.8 4.0 860 729 A 67 VAL HB A 68 LEU H 1.0 1.8 5.0 861 730 A 67 VAL HGx% A 68 LEU H 1.0 1.8 5.0 862 731 A 67 VAL HGy% A 68 LEU H 1.0 1.8 5.5 863 732 A 67 VAL H A 68 LEU H 1.0 1.8 5.0 864 733 A 67 VAL HGy% A 68 LEU HBy 1.0 1.8 5.0 865 734 A 67 VAL HGy% A 68 LEU HBx 1.0 1.8 5.0 866 735 A 67 VAL HGy% A 68 LEU HA 1.0 1.8 3.5 867 736 A 67 VAL HA A 68 LEU HBx 1.0 1.8 5.0 868 737 A 68 LEU HA A 69 ARG H 1.0 1.8 5.0 869 738 A 68 LEU HDx% A 69 ARG H 1.0 1.8 3.5 870 739 A 68 LEU HDy% A 69 ARG H 1.0 1.8 5.0 871 740 A 68 LEU HG A 69 ARG H 1.0 1.8 5.0 872 741 A 68 LEU H A 69 ARG H 1.0 1.8 4.0 873 742 A 68 LEU HA A 69 ARG HBy 1.0 1.8 4.0 874 743 A 69 ARG HA A 70 THR H 1.0 1.8 5.0 875 744 A 69 ARG HBy A 70 THR H 1.0 1.8 3.5 876 745 A 69 ARG HBx A 70 THR H 1.0 1.8 3.5 877 746 A 70 THR H A 69 ARG HG2 1.0 1.8 5.5 878 746 A 69 ARG HG3 A 70 THR H 1.0 1.8 5.5 879 747 A 69 ARG H A 70 THR H 1.0 1.8 4.0 880 748 A 69 ARG HA A 70 THR HG2% 1.0 1.8 5.0 881 749 A 69 ARG HBx A 70 THR HG2% 1.0 1.8 4.0 882 750 A 70 THR HA A 69 ARG HDx 1.0 1.8 5.0 883 750 A 70 THR HA A 69 ARG HDy 1.0 1.8 5.0 884 751 A 70 THR HA A 71 HIS H 1.0 1.8 4.0 885 752 A 70 THR HB A 71 HIS H 1.0 1.8 4.0 886 753 A 70 THR HG2% A 71 HIS H 1.0 1.8 4.0 887 754 A 70 THR HG2% A 71 HIS HBy 1.0 1.8 5.0 888 755 A 70 THR HG2% A 71 HIS HBx 1.0 1.8 3.5 889 756 A 71 HIS HA A 72 GLN H 1.0 1.8 3.0 890 757 A 71 HIS HBy A 72 GLN H 1.0 1.8 4.0 891 758 A 71 HIS HBx A 72 GLN H 1.0 1.8 5.0 892 759 A 72 GLN HA A 73 PRO HBy 1.0 1.8 4.0 893 760 A 72 GLN HA A 73 PRO HBx 1.0 1.8 5.0 894 761 A 73 PRO HA A 72 GLN HB2 1.0 1.8 5.0 895 761 A 72 GLN HB3 A 73 PRO HA 1.0 1.8 5.0 896 762 A 73 PRO HA A 72 GLN HG2 1.0 1.8 5.0 897 762 A 72 GLN HG3 A 73 PRO HA 1.0 1.8 5.0 898 763 A 72 GLN HA A 73 PRO HA 1.0 1.8 5.0 899 764 A 73 PRO HA A 74 ALA H 1.0 1.8 5.0 900 765 A 73 PRO HBy A 74 ALA H 1.0 1.8 4.0 901 766 A 73 PRO HBx A 74 ALA H 1.0 1.8 5.0 902 767 A 74 ALA H A 73 PRO HD2 1.0 1.8 5.0 903 767 A 73 PRO HD3 A 74 ALA H 1.0 1.8 5.0 904 768 A 73 PRO HA A 74 ALA HB% 1.0 1.8 5.0 905 769 A 73 PRO HA A 74 ALA HA 1.0 1.8 3.5 906 770 A 75 ARG H A 74 ALA HA 1.0 1.8 5.0 907 771 A 74 ALA HB% A 75 ARG H 1.0 1.8 5.0 908 772 A 74 ALA H A 75 ARG H 1.0 1.8 3.0 909 773 A 74 ALA HB% A 75 ARG HA 1.0 1.8 5.0 910 774 A 75 ARG HA A 76 TYR H 1.0 1.8 4.0 911 775 A 75 ARG HBy A 76 TYR H 1.0 1.8 5.0 912 776 A 75 ARG HBx A 76 TYR H 1.0 1.8 5.0 913 777 A 75 ARG HA A 76 TYR HD% 1.0 1.8 5.5 914 778 A 76 TYR HA A 77 SER H 1.0 1.8 5.0 915 779 A 76 TYR HBy A 77 SER H 1.0 1.8 5.0 916 780 A 76 TYR HBx A 77 SER H 1.0 1.8 5.0 917 781 A 76 TYR HD% A 77 SER H 1.0 1.8 5.0 918 782 A 76 TYR H A 77 SER H 1.0 1.8 5.0 919 783 A 78 LEU H A 77 SER HA 1.0 1.8 5.5 920 784 A 78 LEU H A 77 SER HB2 1.0 1.8 5.5 921 784 A 77 SER HB3 A 78 LEU H 1.0 1.8 5.5 922 785 A 78 LEU HA A 79 THR H 1.0 1.8 5.5 923 786 A 78 LEU HBy A 79 THR H 1.0 1.8 4.0 924 787 A 78 LEU HBx A 79 THR H 1.0 1.8 5.5 925 788 A 78 LEU HDx% A 79 THR H 1.0 1.8 5.5 926 789 A 78 LEU HDy% A 79 THR H 1.0 1.8 5.5 927 790 A 79 THR H A 80 PRO HD2 1.0 1.8 5.5 928 790 A 79 THR H A 80 PRO HD3 1.0 1.8 5.5 929 791 A 79 THR HG2% A 80 PRO HD2 1.0 1.8 5.5 930 791 A 79 THR HG2% A 80 PRO HD3 1.0 1.8 5.5 931 792 A 79 THR HA A 80 PRO HD2 1.0 1.8 5.0 932 792 A 79 THR HA A 80 PRO HD3 1.0 1.8 5.0 933 793 A 79 THR HB A 80 PRO HD2 1.0 1.8 5.0 934 793 A 79 THR HB A 80 PRO HD3 1.0 1.8 5.0 935 794 A 79 THR HA A 80 PRO HGy 1.0 1.8 5.5 936 795 A 79 THR HB A 80 PRO HGy 1.0 1.8 5.5 937 796 A 79 THR HA A 80 PRO HGx 1.0 1.8 5.5 938 797 A 79 THR HB A 80 PRO HGx 1.0 1.8 5.5 939 798 A 80 PRO HA A 81 GLU H 1.0 1.8 5.5 940 799 A 81 GLU H A 80 PRO HBy 1.0 1.8 5.5 941 800 A 81 GLU H A 80 PRO HD2 1.0 1.8 4.0 942 800 A 80 PRO HD3 A 81 GLU H 1.0 1.8 4.0 943 801 A 80 PRO HGx A 81 GLU H 1.0 1.8 5.0 944 802 A 81 GLU HA A 82 GLY H 1.0 1.8 5.0 945 803 A 81 GLU HBy A 82 GLY H 1.0 1.8 5.0 946 804 A 81 GLU HBx A 82 GLY H 1.0 1.8 5.0 947 805 A 81 GLU HGy A 82 GLY H 1.0 1.8 5.5 948 806 A 81 GLU HGx A 82 GLY H 1.0 1.8 5.0 949 807 A 81 GLU H A 82 GLY H 1.0 1.8 5.5 950 808 A 83 LEU H A 82 GLY HA3 1.0 1.8 5.5 951 809 A 83 LEU H A 82 GLY HA2 1.0 1.8 5.5 952 810 A 83 LEU HA A 82 GLY H 1.0 1.8 5.5 953 811 A 83 LEU H A 82 GLY H 1.0 1.8 5.5 954 812 A 83 LEU HA A 84 GLU H 1.0 1.8 5.5 955 813 A 83 LEU HBy A 84 GLU H 1.0 1.8 5.0 956 814 A 83 LEU HBx A 84 GLU H 1.0 1.8 5.0 957 815 A 84 GLU H A 83 LEU HDy% 1.0 1.8 5.0 958 816 A 83 LEU H A 84 GLU H 1.0 1.8 5.0 959 817 A 83 LEU H A 84 GLU HB2 1.0 1.8 5.5 960 817 A 83 LEU H A 84 GLU HB3 1.0 1.8 5.5 961 818 A 84 GLU HA A 85 LEU H 1.0 1.8 5.5 962 819 A 85 LEU H A 84 GLU HB2 1.0 1.8 5.5 963 819 A 84 GLU HB3 A 85 LEU H 1.0 1.8 5.5 964 820 A 84 GLU H A 85 LEU HBx 1.0 1.8 5.5 965 821 A 85 LEU HA A 84 GLU HB2 1.0 1.8 5.5 966 821 A 84 GLU HB3 A 85 LEU HA 1.0 1.8 5.5 967 822 A 85 LEU HA A 86 ALA H 1.0 1.8 5.5 968 823 A 85 LEU HBy A 86 ALA H 1.0 1.8 5.5 969 824 A 85 LEU HBx A 86 ALA H 1.0 1.8 5.0 970 825 A 85 LEU HDx% A 86 ALA H 1.0 1.8 5.0 971 826 A 85 LEU HG A 86 ALA H 1.0 1.8 5.0 972 827 A 85 LEU H A 86 ALA H 1.0 1.8 5.0 973 828 A 87 GLN H A 86 ALA HA 1.0 1.8 5.0 974 829 A 86 ALA HB% A 87 GLN H 1.0 1.8 5.0 975 830 A 86 ALA H A 87 GLN H 1.0 1.8 5.5 976 831 A 87 GLN HA A 88 LYS H 1.0 1.8 5.0 977 832 A 87 GLN HBy A 88 LYS H 1.0 1.8 5.0 978 833 A 87 GLN H A 88 LYS H 1.0 1.8 5.0 979 834 A 87 GLN H A 88 LYS HGx 1.0 1.8 5.0 980 835 A 88 LYS HA A 89 LEU H 1.0 1.8 5.0 981 836 A 89 LEU H A 88 LYS HBy 1.0 1.8 5.0 982 837 A 89 LEU H A 88 LYS HBx 1.0 1.8 5.0 983 838 A 88 LYS H A 89 LEU H 1.0 1.8 5.0 984 839 A 89 LEU HBy A 90 ALA H 1.0 1.8 4.0 985 840 A 89 LEU HBx A 90 ALA H 1.0 1.8 5.0 986 841 A 89 LEU HDy% A 90 ALA H 1.0 1.8 5.5 987 842 A 89 LEU H A 90 ALA HB% 1.0 1.8 5.0 988 843 A 89 LEU HA A 90 ALA HB% 1.0 1.8 4.0 989 844 A 91 GLU H A 90 ALA HA 1.0 1.8 5.0 990 845 A 90 ALA HB% A 91 GLU H 1.0 1.8 5.0 991 846 A 90 ALA H A 91 GLU HGy 1.0 1.8 4.0 992 847 A 90 ALA H A 91 GLU H 1.0 1.8 4.0 993 848 A 90 ALA HB% A 91 GLU HGy 1.0 1.8 5.0 994 849 A 90 ALA HB% A 91 GLU HGx 1.0 1.8 5.0 995 850 A 90 ALA HB% A 91 GLU HA 1.0 1.8 5.5 996 851 A 91 GLU HA A 92 SER H 1.0 1.8 5.0 997 852 A 92 SER H A 91 GLU HB2 1.0 1.8 4.0 998 852 A 91 GLU HB3 A 92 SER H 1.0 1.8 4.0 999 853 A 91 GLU HGy A 92 SER H 1.0 1.8 4.0 1000 854 A 91 GLU H A 92 SER H 1.0 1.8 5.0 1001 855 A 91 GLU H A 92 SER HB2 1.0 1.8 5.0 1002 855 A 91 GLU H A 92 SER HB3 1.0 1.8 5.0 1003 856 A 91 GLU HB3 A 92 SER HB2 1.0 1.8 5.0 1004 856 A 91 GLU HB2 A 92 SER HB2 1.0 1.8 5.0 1005 856 A 92 SER HB3 A 91 GLU HB2 1.0 1.8 5.0 1006 856 A 91 GLU HB3 A 92 SER HB3 1.0 1.8 5.0 1007 857 A 91 GLU HGy A 92 SER HB2 1.0 1.8 5.0 1008 857 A 91 GLU HGy A 92 SER HB3 1.0 1.8 5.0 1009 858 A 93 GLU H A 92 SER HA 1.0 1.8 5.0 1010 859 A 92 SER H A 93 GLU H 1.0 1.8 5.5 1011 860 A 93 GLU HA A 94 GLY H 1.0 1.8 5.5 1012 861 A 93 GLU HBy A 94 GLY H 1.0 1.8 5.0 1013 862 A 93 GLU HBx A 94 GLY H 1.0 1.8 5.0 1014 863 A 93 GLU H A 94 GLY H 1.0 1.8 5.0 1015 864 A 95 LEU H A 94 GLY HA3 1.0 1.8 4.0 1016 865 A 95 LEU H A 94 GLY HA2 1.0 1.8 5.0 1017 866 A 95 LEU HA A 96 SER H 1.0 1.8 5.5 1018 867 A 97 LEU H A 96 SER HA 1.0 1.8 5.0 1019 868 A 97 LEU H A 96 SER HB2 1.0 1.8 5.0 1020 868 A 97 LEU H A 96 SER HB3 1.0 1.8 5.0 1021 869 A 98 LEU H A 97 LEU HA 1.0 1.8 5.0 1022 870 A 97 LEU H A 98 LEU H 1.0 1.8 5.0 1023 871 A 98 LEU HA A 99 ASN H 1.0 1.8 5.0 1024 872 A 99 ASN HA A 98 LEU HB2 1.0 1.8 5.0 1025 872 A 98 LEU HB3 A 99 ASN HA 1.0 1.8 5.0 1026 873 A 99 ASN HA A 98 LEU HDy% 1.0 1.8 4.0 1027 874 A 100 VAL H A 99 ASN HA 1.0 1.8 5.5 1028 875 A 100 VAL H A 99 ASN HBy 1.0 1.8 5.5 1029 876 A 100 VAL H A 99 ASN HBx 1.0 1.8 5.0 1030 877 A 100 VAL HA A 101 GLY H 1.0 1.8 5.0 1031 878 A 101 GLY HA3 A 100 VAL HGx% 1.0 1.8 5.0 1032 878 A 100 VAL HGx% A 101 GLY HA2 1.0 1.8 5.0 1033 879 A 100 VAL HGy% A 101 GLY HA3 1.0 1.8 5.5 1034 879 A 100 VAL HGy% A 101 GLY HA2 1.0 1.8 5.5 1035 880 A 102 ILE H A 101 GLY HA2 1.0 1.8 5.0 1036 880 A 102 ILE H A 101 GLY HA3 1.0 1.8 5.0 1037 881 A 102 ILE HA A 103 GLY H 1.0 1.8 5.0 1038 882 A 102 ILE HB A 103 GLY H 1.0 1.8 5.5 1039 883 A 102 ILE HG2% A 103 GLY H 1.0 1.8 5.0 1040 884 A 3 TYR HD% A 5 PRO HG2 1.0 1.8 5.5 1041 884 A 3 TYR HD% A 5 PRO HG3 1.0 1.8 5.5 1042 885 A 3 TYR HE% A 5 PRO HG2 1.0 1.8 5.0 1043 885 A 3 TYR HE% A 5 PRO HG3 1.0 1.8 5.0 1044 886 A 3 TYR HE% A 5 PRO HA 1.0 1.8 5.0 1045 887 A 3 TYR HE% A 5 PRO HBy 1.0 1.8 5.0 1046 888 A 3 TYR HE% A 5 PRO HBx 1.0 1.8 5.5 1047 889 A 3 TYR HD% A 5 PRO HDy 1.0 1.8 5.0 1048 890 A 3 TYR HE% A 5 PRO HDy 1.0 1.8 5.0 1049 891 A 4 TRP HD1 A 6 ALA HA 1.0 1.8 5.0 1050 892 A 4 TRP HD1 A 6 ALA HB% 1.0 1.8 5.0 1051 893 A 6 ALA HB% A 9 SER H 1.0 1.8 5.0 1052 894 A 6 ALA HB% A 9 SER HA 1.0 1.8 5.0 1053 895 A 6 ALA HB% A 9 SER HBy 1.0 1.8 5.0 1054 896 A 6 ALA HB% A 9 SER HBx 1.0 1.8 5.5 1055 897 A 7 ARG HA A 12 ARG HDy 1.0 1.8 5.0 1056 898 A 7 ARG HA A 12 ARG HDx 1.0 1.8 5.0 1057 899 A 8 HIS HA A 13 VAL HGx% 1.0 1.8 5.0 1058 899 A 13 VAL HGy% A 8 HIS HA 1.0 1.8 5.0 1059 900 A 11 ALA H A 9 SER HBx 1.0 1.8 5.0 1060 901 A 12 ARG HBy A 9 SER HBx 1.0 1.8 5.0 1061 902 A 13 VAL H A 10 GLY HA2 1.0 1.8 5.0 1062 902 A 13 VAL H A 10 GLY HA3 1.0 1.8 5.0 1063 903 A 13 VAL HB A 10 GLY HA2 1.0 1.8 5.5 1064 903 A 13 VAL HB A 10 GLY HA3 1.0 1.8 5.5 1065 904 A 10 GLY HA2 A 13 VAL HGx% 1.0 1.8 5.0 1066 904 A 10 GLY HA3 A 13 VAL HGx% 1.0 1.8 5.0 1067 905 A 13 VAL HGy% A 10 GLY HA2 1.0 1.8 5.0 1068 905 A 13 VAL HGy% A 10 GLY HA3 1.0 1.8 5.0 1069 906 A 11 ALA HB% A 13 VAL H 1.0 1.8 5.0 1070 907 A 14 ILE H A 11 ALA HA 1.0 1.8 5.0 1071 908 A 14 ILE HB A 11 ALA HA 1.0 1.8 5.0 1072 909 A 14 ILE HD1% A 11 ALA HA 1.0 1.8 5.0 1073 910 A 14 ILE HG1x A 11 ALA HA 1.0 1.8 5.0 1074 911 A 14 ILE HG2% A 11 ALA HA 1.0 1.8 5.0 1075 912 A 11 ALA HB% A 15 LEU HDy% 1.0 1.8 5.0 1076 912 A 11 ALA HB% A 15 LEU HDx% 1.0 1.8 5.0 1077 913 A 12 ARG HA A 15 LEU H 1.0 1.8 5.0 1078 914 A 12 ARG HA A 15 LEU HDx% 1.0 1.8 5.0 1079 915 A 12 ARG HA A 16 LEU H 1.0 1.8 5.0 1080 916 A 12 ARG HA A 16 LEU HDy% 1.0 1.8 5.0 1081 917 A 12 ARG HDy A 16 LEU HDy% 1.0 1.8 5.0 1082 918 A 12 ARG HDx A 16 LEU HDy% 1.0 1.8 5.0 1083 919 A 12 ARG HGy A 16 LEU HDy% 1.0 1.8 5.0 1084 920 A 12 ARG HGx A 16 LEU HDy% 1.0 1.8 5.0 1085 921 A 13 VAL HA A 16 LEU H 1.0 1.8 5.0 1086 922 A 13 VAL HA A 16 LEU HBx 1.0 1.8 5.0 1087 923 A 13 VAL HA A 16 LEU HDy% 1.0 1.8 5.5 1088 924 A 13 VAL HGy% A 16 LEU HBy 1.0 1.8 5.0 1089 925 A 13 VAL HGy% A 16 LEU HBx 1.0 1.8 5.0 1090 926 A 13 VAL HA A 16 LEU HBy 1.0 1.8 5.5 1091 927 A 13 VAL HA A 17 VAL H 1.0 1.8 5.5 1092 928 A 14 ILE HA A 16 LEU H 1.0 1.8 5.0 1093 929 A 14 ILE H A 16 LEU H 1.0 1.8 5.0 1094 930 A 14 ILE HA A 17 VAL H 1.0 1.8 5.0 1095 931 A 14 ILE HA A 17 VAL HB 1.0 1.8 5.0 1096 932 A 14 ILE HA A 17 VAL HGx% 1.0 1.8 5.0 1097 933 A 14 ILE HA A 17 VAL HGy% 1.0 1.8 5.0 1098 934 A 14 ILE HA A 18 LEU H 1.0 1.8 5.0 1099 935 A 14 ILE HG2% A 18 LEU H 1.0 1.8 5.0 1100 936 A 15 LEU HA A 18 LEU H 1.0 1.8 5.0 1101 937 A 15 LEU HA A 18 LEU HDx% 1.0 1.8 5.0 1102 938 A 15 LEU HA A 18 LEU HBy 1.0 1.8 5.0 1103 939 A 15 LEU HA A 18 LEU HBx 1.0 1.8 5.5 1104 940 A 15 LEU HA A 19 TYR H 1.0 1.8 5.0 1105 941 A 16 LEU HDx% A 19 TYR HBy 1.0 1.8 5.0 1106 942 A 16 LEU HDx% A 19 TYR HBx 1.0 1.8 5.0 1107 943 A 16 LEU HDx% A 19 TYR HD% 1.0 1.8 5.0 1108 944 A 16 LEU HA A 19 TYR HBy 1.0 1.8 5.0 1109 945 A 16 LEU HA A 19 TYR HBx 1.0 1.8 5.0 1110 946 A 16 LEU HA A 19 TYR HD% 1.0 1.8 5.0 1111 947 A 17 VAL HA A 19 TYR H 1.0 1.8 5.5 1112 948 A 17 VAL HB A 19 TYR H 1.0 1.8 5.0 1113 949 A 17 VAL HA A 20 ARG HB2 1.0 1.8 5.0 1114 949 A 17 VAL HA A 20 ARG HB3 1.0 1.8 5.0 1115 950 A 18 LEU HA A 21 GLU H 1.0 1.8 5.5 1116 951 A 18 LEU HDy% A 21 GLU H 1.0 1.8 5.5 1117 952 A 19 TYR H A 21 GLU H 1.0 1.8 3.5 1118 953 A 19 TYR HA A 22 HIS H 1.0 1.8 5.0 1119 954 A 19 TYR HA A 22 HIS HBy 1.0 1.8 5.0 1120 955 A 19 TYR HA A 22 HIS HBx 1.0 1.8 5.5 1121 956 A 19 TYR HA A 22 HIS HD2 1.0 1.8 5.5 1122 957 A 19 TYR HA A 23 LEU H 1.0 1.8 5.0 1123 958 A 19 TYR HD% A 23 LEU HDx% 1.0 1.8 5.0 1124 959 A 23 LEU HDx% A 19 TYR HE% 1.0 1.8 5.0 1125 960 A 20 ARG HA A 23 LEU H 1.0 1.8 5.0 1126 961 A 20 ARG HA A 23 LEU HB2 1.0 1.8 5.0 1127 961 A 20 ARG HA A 23 LEU HB3 1.0 1.8 5.0 1128 962 A 20 ARG HA A 23 LEU HDx% 1.0 1.8 5.0 1129 963 A 20 ARG HA A 23 LEU HDy% 1.0 1.8 5.0 1130 964 A 23 LEU HDx% A 20 ARG HD2 1.0 1.8 5.0 1131 964 A 20 ARG HD3 A 23 LEU HDx% 1.0 1.8 5.0 1132 965 A 20 ARG HA A 23 LEU HG 1.0 1.8 5.0 1133 966 A 20 ARG HA A 24 ASN H 1.0 1.8 5.0 1134 967 A 21 GLU HA A 23 LEU H 1.0 1.8 5.5 1135 968 A 21 GLU HA A 24 ASN HD2x 1.0 1.8 5.5 1136 969 A 21 GLU HA A 24 ASN HD2y 1.0 1.8 5.0 1137 970 A 21 GLU HA A 24 ASN H 1.0 1.8 5.0 1138 971 A 24 ASN H A 21 GLU HG2 1.0 1.8 5.0 1139 971 A 21 GLU HG3 A 24 ASN H 1.0 1.8 5.0 1140 972 A 21 GLU HA A 24 ASN HBy 1.0 1.8 5.5 1141 973 A 21 GLU HA A 24 ASN HBx 1.0 1.8 5.5 1142 974 A 22 HIS HBx A 24 ASN H 1.0 1.8 5.0 1143 975 A 22 HIS H A 24 ASN H 1.0 1.8 5.0 1144 976 A 24 ASN HD2x A 26 ASN H 1.0 1.8 5.0 1145 977 A 24 ASN HD2x A 26 ASN HBy 1.0 1.8 5.0 1146 978 A 24 ASN HBx A 27 GLY H 1.0 1.8 4.0 1147 979 A 24 ASN HD2x A 27 GLY HA2 1.0 1.8 3.5 1148 979 A 24 ASN HD2x A 27 GLY HA3 1.0 1.8 3.5 1149 980 A 24 ASN HD2y A 27 GLY HA2 1.0 1.8 4.0 1150 980 A 24 ASN HD2y A 27 GLY HA3 1.0 1.8 4.0 1151 981 A 24 ASN HBy A 27 GLY HA2 1.0 1.8 5.0 1152 981 A 24 ASN HBy A 27 GLY HA3 1.0 1.8 5.0 1153 982 A 24 ASN HBx A 27 GLY HA2 1.0 1.8 5.0 1154 982 A 24 ASN HBx A 27 GLY HA3 1.0 1.8 5.0 1155 983 A 25 PRO HA A 27 GLY H 1.0 1.8 5.0 1156 984 A 28 HIS HBy A 30 PHE H 1.0 1.8 5.0 1157 985 A 28 HIS HBy A 31 LEU HDy% 1.0 1.8 5.0 1158 986 A 28 HIS HD2 A 31 LEU HDy% 1.0 1.8 5.0 1159 987 A 30 PHE HD% A 32 THR HG2% 1.0 1.8 5.0 1160 988 A 32 THR HG2% A 30 PHE HE% 1.0 1.8 5.0 1161 989 A 30 PHE HZ A 32 THR HG2% 1.0 1.8 5.0 1162 990 A 35 GLU HBx A 31 LEU HDy% 1.0 1.8 5.5 1163 991 A 31 LEU HG A 35 GLU HBx 1.0 1.8 5.0 1164 992 A 35 GLU HBx A 31 LEU HBy 1.0 1.8 5.0 1165 993 A 35 GLU HBx A 31 LEU HBx 1.0 1.8 4.0 1166 994 A 35 GLU HBx A 31 LEU HDx% 1.0 1.8 5.0 1167 995 A 31 LEU HA A 35 GLU HBy 1.0 1.8 4.0 1168 996 A 31 LEU HA A 35 GLU HBx 1.0 1.8 5.0 1169 997 A 36 LEU H A 31 LEU HDy% 1.0 1.8 5.5 1170 998 A 36 LEU HA A 31 LEU HDx% 1.0 1.8 5.0 1171 999 A 32 THR HA A 34 GLU H 1.0 1.8 5.0 1172 1000 A 32 THR HB A 34 GLU H 1.0 1.8 5.0 1173 1001 A 32 THR HG2% A 34 GLU H 1.0 1.8 5.0 1174 1002 A 32 THR HG2% A 34 GLU HGy 1.0 1.8 5.0 1175 1003 A 32 THR HG2% A 34 GLU HGx 1.0 1.8 5.5 1176 1004 A 32 THR HG2% A 35 GLU H 1.0 1.8 5.5 1177 1005 A 32 THR H A 35 GLU H 1.0 1.8 5.0 1178 1006 A 32 THR H A 35 GLU HBy 1.0 1.8 5.0 1179 1007 A 32 THR H A 35 GLU HBx 1.0 1.8 5.0 1180 1008 A 32 THR HG2% A 35 GLU HBy 1.0 1.8 5.0 1181 1009 A 33 LYS HA A 36 LEU H 1.0 1.8 5.0 1182 1010 A 33 LYS HA A 36 LEU HDx% 1.0 1.8 5.0 1183 1011 A 33 LYS HA A 36 LEU HDy% 1.0 1.8 5.0 1184 1012 A 37 LEU HDy% A 33 LYS HE2 1.0 1.8 4.0 1185 1012 A 33 LYS HE3 A 37 LEU HDy% 1.0 1.8 4.0 1186 1013 A 34 GLU H A 36 LEU H 1.0 1.8 5.5 1187 1014 A 34 GLU HA A 37 LEU HDy% 1.0 1.8 5.0 1188 1015 A 34 GLU HA A 37 LEU HBy 1.0 1.8 5.5 1189 1016 A 34 GLU HA A 37 LEU HBx 1.0 1.8 5.5 1190 1017 A 34 GLU HA A 37 LEU HG 1.0 1.8 5.0 1191 1018 A 36 LEU H A 38 GLN H 1.0 1.8 5.0 1192 1019 A 37 LEU HA A 40 CYS H 1.0 1.8 5.0 1193 1020 A 37 LEU HA A 40 CYS HBx 1.0 1.8 5.0 1194 1021 A 37 LEU HA A 40 CYS HBy 1.0 1.8 5.0 1195 1022 A 37 LEU HA A 41 ALA H 1.0 1.8 6.0 1196 1023 A 38 GLN HA A 41 ALA H 1.0 1.8 6.0 1197 1024 A 38 GLN HGx A 41 ALA HB% 1.0 1.8 5.0 1198 1025 A 38 GLN HA A 41 ALA HB% 1.0 1.8 5.5 1199 1026 A 39 ARG HA A 41 ALA HB% 1.0 1.8 5.5 1200 1027 A 40 CYS HA A 43 LYS HG2 1.0 1.8 5.0 1201 1027 A 43 LYS HG3 A 40 CYS HA 1.0 1.8 5.0 1202 1028 A 41 ALA HB% A 45 PRO HA 1.0 1.8 5.0 1203 1029 A 43 LYS HA A 47 VAL HGx% 1.0 1.8 5.5 1204 1030 A 44 SER HB2 A 47 VAL HGx% 1.0 1.8 5.5 1205 1030 A 44 SER HB3 A 47 VAL HGx% 1.0 1.8 5.5 1206 1031 A 47 VAL HGy% A 44 SER HB2 1.0 1.8 5.5 1207 1031 A 47 VAL HGy% A 44 SER HB3 1.0 1.8 5.5 1208 1032 A 44 SER HB2 A 47 VAL HGx% 1.0 1.8 5.0 1209 1032 A 44 SER HB3 A 47 VAL HGx% 1.0 1.8 5.0 1210 1032 A 47 VAL HGy% A 44 SER HB2 1.0 1.8 5.0 1211 1032 A 47 VAL HGy% A 44 SER HB3 1.0 1.8 5.0 1212 1033 A 51 SER HBx A 47 VAL HGx% 1.0 1.8 5.5 1213 1033 A 47 VAL HGx% A 51 SER HBy 1.0 1.8 5.5 1214 1034 A 47 VAL HGy% A 51 SER HBx 1.0 1.8 5.5 1215 1034 A 47 VAL HGy% A 51 SER HBy 1.0 1.8 5.5 1216 1035 A 47 VAL HB A 51 SER HBy 1.0 1.8 5.0 1217 1036 A 47 VAL HB A 51 SER HBx 1.0 1.8 5.5 1218 1037 A 47 VAL HGy% A 51 SER HBy 1.0 1.8 5.5 1219 1037 A 47 VAL HGx% A 51 SER HBy 1.0 1.8 5.5 1220 1037 A 51 SER HBx A 47 VAL HGx% 1.0 1.8 5.5 1221 1037 A 47 VAL HGy% A 51 SER HBx 1.0 1.8 5.5 1222 1038 A 48 ALA HB% A 51 SER HBy 1.0 1.8 5.5 1223 1038 A 48 ALA HB% A 51 SER HBx 1.0 1.8 5.5 1224 1039 A 53 PRO HBx A 55 TRP HD1 1.0 1.8 5.5 1225 1040 A 54 PRO HA A 57 ALA HB% 1.0 1.8 5.5 1226 1041 A 55 TRP HE3 A 58 LEU HDx% 1.0 1.8 5.0 1227 1042 A 58 LEU HDx% A 55 TRP HZ3 1.0 1.8 5.5 1228 1043 A 56 PRO HA A 59 ARG H 1.0 1.8 5.5 1229 1044 A 56 PRO HA A 59 ARG HD2 1.0 1.8 5.0 1230 1044 A 56 PRO HA A 59 ARG HD3 1.0 1.8 5.0 1231 1045 A 56 PRO HA A 59 ARG HB2 1.0 1.8 5.5 1232 1045 A 56 PRO HA A 59 ARG HB3 1.0 1.8 5.5 1233 1046 A 57 ALA HB% A 60 SER HB2 1.0 1.8 5.5 1234 1046 A 60 SER HB3 A 57 ALA HB% 1.0 1.8 5.5 1235 1047 A 58 LEU HA A 61 LEU H 1.0 1.8 5.5 1236 1048 A 58 LEU HA A 61 LEU HDx% 1.0 1.8 5.5 1237 1049 A 61 LEU HDx% A 58 LEU HDy% 1.0 1.8 5.5 1238 1050 A 61 LEU HBx A 58 LEU HDy% 1.0 1.8 5.5 1239 1051 A 58 LEU HA A 61 LEU HBx 1.0 1.8 5.5 1240 1052 A 62 LEU H A 58 LEU HDy% 1.0 1.8 5.0 1241 1052 A 58 LEU HDx% A 62 LEU H 1.0 1.8 5.0 1242 1053 A 62 LEU HDx% A 58 LEU HDy% 1.0 1.8 5.5 1243 1053 A 58 LEU HDx% A 62 LEU HDx% 1.0 1.8 5.5 1244 1054 A 58 LEU HDy% A 62 LEU HDy% 1.0 1.8 5.5 1245 1054 A 58 LEU HDx% A 62 LEU HDy% 1.0 1.8 5.5 1246 1055 A 62 LEU HG A 58 LEU HDy% 1.0 1.8 5.5 1247 1055 A 58 LEU HDx% A 62 LEU HG 1.0 1.8 5.5 1248 1056 A 58 LEU HDx% A 62 LEU HBx 1.0 1.8 5.5 1249 1057 A 62 LEU HDx% A 58 LEU HDy% 1.0 1.8 5.5 1250 1058 A 58 LEU HDx% A 62 LEU HDy% 1.0 1.8 5.0 1251 1059 A 58 LEU HDy% A 62 LEU HDy% 1.0 1.8 5.5 1252 1060 A 59 ARG HA A 62 LEU H 1.0 1.8 5.5 1253 1061 A 59 ARG H A 62 LEU HDy% 1.0 1.8 5.5 1254 1062 A 59 ARG HA A 62 LEU HBy 1.0 1.8 5.0 1255 1063 A 59 ARG HA A 62 LEU HBx 1.0 1.8 5.0 1256 1064 A 59 ARG HA A 62 LEU HDy% 1.0 1.8 5.0 1257 1065 A 59 ARG HA A 63 HIS H 1.0 1.8 5.0 1258 1066 A 63 HIS H A 60 SER HA 1.0 1.8 5.5 1259 1067 A 63 HIS H A 60 SER HB2 1.0 1.8 5.5 1260 1067 A 60 SER HB3 A 63 HIS H 1.0 1.8 5.5 1261 1068 A 60 SER HA A 63 HIS HB2 1.0 1.8 5.5 1262 1068 A 63 HIS HB3 A 60 SER HA 1.0 1.8 5.5 1263 1069 A 60 SER HB3 A 63 HIS HB2 1.0 1.8 5.5 1264 1069 A 60 SER HB2 A 63 HIS HB2 1.0 1.8 5.5 1265 1069 A 63 HIS HB3 A 60 SER HB2 1.0 1.8 5.5 1266 1069 A 60 SER HB3 A 63 HIS HB3 1.0 1.8 5.5 1267 1070 A 61 LEU HA A 64 ARG H 1.0 1.8 5.5 1268 1071 A 64 ARG H A 61 LEU HDy% 1.0 1.8 5.0 1269 1072 A 61 LEU HA A 64 ARG HBy 1.0 1.8 5.5 1270 1073 A 61 LEU HA A 64 ARG HBx 1.0 1.8 5.5 1271 1074 A 61 LEU HA A 64 ARG HD2 1.0 1.8 5.5 1272 1074 A 61 LEU HA A 64 ARG HD3 1.0 1.8 5.5 1273 1075 A 61 LEU HA A 66 LEU H 1.0 1.8 5.5 1274 1076 A 61 LEU HBy A 66 LEU H 1.0 1.8 5.5 1275 1077 A 61 LEU HA A 66 LEU HDx% 1.0 1.8 5.5 1276 1078 A 61 LEU HA A 66 LEU HDy% 1.0 1.8 5.0 1277 1079 A 62 LEU HBx A 65 ASN H 1.0 1.8 5.0 1278 1080 A 65 ASN H A 62 LEU HDy% 1.0 1.8 5.5 1279 1081 A 62 LEU HA A 67 VAL H 1.0 1.8 5.5 1280 1082 A 62 LEU H A 67 VAL HB 1.0 1.8 5.0 1281 1083 A 62 LEU H A 67 VAL HGx% 1.0 1.8 5.5 1282 1084 A 62 LEU HA A 67 VAL HB 1.0 1.8 5.5 1283 1085 A 67 VAL HGx% A 62 LEU HDy% 1.0 1.8 5.5 1284 1086 A 62 LEU HA A 67 VAL HGx% 1.0 1.8 5.5 1285 1087 A 64 ARG HBx A 66 LEU H 1.0 1.8 5.5 1286 1088 A 64 ARG HA A 66 LEU HDy% 1.0 1.8 5.5 1287 1089 A 66 LEU HDy% A 64 ARG HD2 1.0 1.8 5.5 1288 1089 A 64 ARG HD3 A 66 LEU HDy% 1.0 1.8 5.5 1289 1090 A 64 ARG HBy A 66 LEU HBx 1.0 1.8 5.5 1290 1091 A 64 ARG HBy A 66 LEU HDy% 1.0 1.8 5.0 1291 1092 A 65 ASN HA A 67 VAL H 1.0 1.8 5.0 1292 1093 A 65 ASN HD2x A 67 VAL HGy% 1.0 1.8 5.5 1293 1094 A 65 ASN H A 67 VAL H 1.0 1.8 5.5 1294 1095 A 65 ASN HA A 67 VAL HGy% 1.0 1.8 5.0 1295 1096 A 67 VAL HGy% A 69 ARG H 1.0 1.8 5.5 1296 1097 A 69 ARG HA A 74 ALA HB% 1.0 1.8 5.5 1297 1098 A 69 ARG HBy A 74 ALA HB% 1.0 1.8 5.5 1298 1099 A 69 ARG HBx A 74 ALA HB% 1.0 1.8 5.5 1299 1100 A 74 ALA HB% A 69 ARG HDy 1.0 1.8 5.5 1300 1101 A 74 ALA HB% A 69 ARG HDx 1.0 1.8 5.0 1301 1102 A 70 THR H A 75 ARG H 1.0 1.8 5.0 1302 1103 A 70 THR H A 75 ARG HBx 1.0 1.8 5.5 1303 1104 A 70 THR HG2% A 75 ARG HBy 1.0 1.8 5.0 1304 1105 A 70 THR HG2% A 75 ARG HBx 1.0 1.8 5.5 1305 1106 A 70 THR HG2% A 75 ARG HG2 1.0 1.8 5.0 1306 1106 A 70 THR HG2% A 75 ARG HG3 1.0 1.8 5.0 1307 1107 A 71 HIS HBy A 74 ALA HA 1.0 1.8 5.0 1308 1108 A 71 HIS HBx A 74 ALA HA 1.0 1.8 5.5 1309 1109 A 71 HIS HBy A 75 ARG H 1.0 1.8 5.5 1310 1110 A 71 HIS HBx A 75 ARG H 1.0 1.8 5.5 1311 1111 A 71 HIS HBy A 75 ARG HDx 1.0 1.8 5.0 1312 1112 A 71 HIS HBx A 75 ARG HDx 1.0 1.8 5.5 1313 1113 A 71 HIS HBy A 75 ARG HG2 1.0 1.8 5.5 1314 1113 A 71 HIS HBy A 75 ARG HG3 1.0 1.8 5.5 1315 1114 A 71 HIS HBx A 75 ARG HG2 1.0 1.8 5.5 1316 1114 A 71 HIS HBx A 75 ARG HG3 1.0 1.8 5.5 1317 1115 A 71 HIS HD2 A 75 ARG HDx 1.0 1.8 5.5 1318 1116 A 72 GLN HA A 74 ALA H 1.0 1.8 5.5 1319 1117 A 74 ALA H A 72 GLN HB2 1.0 1.8 5.5 1320 1117 A 72 GLN HB3 A 74 ALA H 1.0 1.8 5.5 1321 1118 A 72 GLN HA A 74 ALA HB% 1.0 1.8 5.0 1322 1119 A 74 ALA HB% A 76 TYR HD% 1.0 1.8 5.5 1323 1120 A 74 ALA HB% A 76 TYR HE% 1.0 1.8 5.5 1324 1121 A 78 LEU HA A 82 GLY H 1.0 1.8 5.5 1325 1122 A 78 LEU HBy A 82 GLY H 1.0 1.8 5.0 1326 1123 A 78 LEU HA A 82 GLY HA3 1.0 1.8 5.5 1327 1124 A 78 LEU HA A 82 GLY HA2 1.0 1.8 5.5 1328 1125 A 78 LEU HDx% A 83 LEU H 1.0 1.8 5.5 1329 1126 A 78 LEU HDy% A 83 LEU H 1.0 1.8 5.5 1330 1127 A 78 LEU HDx% A 83 LEU HDy% 1.0 1.8 5.5 1331 1128 A 78 LEU HDx% A 83 LEU HA 1.0 1.8 5.5 1332 1129 A 78 LEU HBx A 83 LEU HDy% 1.0 1.8 5.0 1333 1129 A 78 LEU HBx A 83 LEU HDx% 1.0 1.8 5.0 1334 1130 A 79 THR HA A 81 GLU H 1.0 1.8 5.0 1335 1131 A 79 THR HG1 A 81 GLU H 1.0 1.8 5.5 1336 1132 A 79 THR HG2% A 81 GLU H 1.0 1.8 5.0 1337 1133 A 79 THR HG1 A 82 GLY H 1.0 1.8 5.0 1338 1134 A 79 THR HG2% A 82 GLY H 1.0 1.8 5.5 1339 1135 A 79 THR H A 82 GLY H 1.0 1.8 5.0 1340 1136 A 79 THR H A 82 GLY HA3 1.0 1.8 5.0 1341 1137 A 79 THR H A 83 LEU H 1.0 1.8 3.5 1342 1138 A 80 PRO HA A 82 GLY H 1.0 1.8 5.0 1343 1139 A 80 PRO HA A 83 LEU H 1.0 1.8 5.0 1344 1140 A 80 PRO HA A 83 LEU HBy 1.0 1.8 5.5 1345 1141 A 80 PRO HA A 83 LEU HBx 1.0 1.8 5.5 1346 1142 A 80 PRO HA A 83 LEU HDx% 1.0 1.8 5.0 1347 1143 A 80 PRO HA A 83 LEU HDy% 1.0 1.8 5.0 1348 1144 A 80 PRO HA A 83 LEU HDy% 1.0 1.8 5.0 1349 1144 A 80 PRO HA A 83 LEU HDx% 1.0 1.8 5.0 1350 1145 A 80 PRO HA A 84 GLU H 1.0 1.8 5.0 1351 1146 A 81 GLU HA A 84 GLU H 1.0 1.8 5.5 1352 1147 A 81 GLU HA A 84 GLU HGy 1.0 1.8 5.5 1353 1148 A 81 GLU HA A 84 GLU HGx 1.0 1.8 5.5 1354 1149 A 81 GLU HA A 85 LEU H 1.0 1.8 5.0 1355 1150 A 84 GLU H A 82 GLY HA3 1.0 1.8 5.0 1356 1151 A 84 GLU H A 82 GLY HA2 1.0 1.8 5.0 1357 1152 A 84 GLU H A 82 GLY H 1.0 1.8 5.0 1358 1153 A 85 LEU H A 82 GLY HA3 1.0 1.8 5.0 1359 1154 A 85 LEU H A 82 GLY HA2 1.0 1.8 5.5 1360 1155 A 86 ALA H A 82 GLY HA3 1.0 1.8 5.5 1361 1156 A 83 LEU HA A 86 ALA H 1.0 1.8 5.5 1362 1157 A 83 LEU H A 86 ALA HB% 1.0 1.8 5.5 1363 1158 A 83 LEU HA A 86 ALA HB% 1.0 1.8 5.5 1364 1159 A 83 LEU HDx% A 86 ALA HB% 1.0 1.8 5.5 1365 1160 A 86 ALA HB% A 83 LEU HDy% 1.0 1.8 5.0 1366 1161 A 83 LEU HA A 87 GLN H 1.0 1.8 5.0 1367 1162 A 87 GLN H A 83 LEU HDy% 1.0 1.8 5.5 1368 1163 A 83 LEU HDx% A 87 GLN HGy 1.0 1.8 5.5 1369 1163 A 87 GLN HGy A 83 LEU HDy% 1.0 1.8 5.5 1370 1164 A 83 LEU HDx% A 87 GLN HGx 1.0 1.8 5.5 1371 1165 A 83 LEU HDx% A 87 GLN HBy 1.0 1.8 5.5 1372 1166 A 83 LEU HDx% A 87 GLN HBx 1.0 1.8 5.5 1373 1167 A 83 LEU HDx% A 87 GLN HGy 1.0 1.8 5.5 1374 1167 A 83 LEU HDx% A 87 GLN HGx 1.0 1.8 5.5 1375 1168 A 87 GLN HGy A 83 LEU HDy% 1.0 1.8 5.5 1376 1168 A 83 LEU HDy% A 87 GLN HGx 1.0 1.8 5.5 1377 1169 A 84 GLU H A 86 ALA H 1.0 1.8 5.5 1378 1170 A 84 GLU H A 86 ALA HB% 1.0 1.8 5.5 1379 1171 A 84 GLU HA A 87 GLN H 1.0 1.8 5.5 1380 1172 A 84 GLU HA A 88 LYS H 1.0 1.8 5.5 1381 1173 A 84 GLU HGy A 88 LYS HE2 1.0 1.8 5.0 1382 1173 A 84 GLU HGy A 88 LYS HE3 1.0 1.8 5.0 1383 1174 A 84 GLU HGx A 88 LYS HE2 1.0 1.8 5.0 1384 1174 A 84 GLU HGx A 88 LYS HE3 1.0 1.8 5.0 1385 1175 A 85 LEU HA A 87 GLN H 1.0 1.8 5.0 1386 1176 A 85 LEU H A 87 GLN H 1.0 1.8 5.0 1387 1177 A 85 LEU HA A 88 LYS H 1.0 1.8 5.5 1388 1178 A 85 LEU HDy% A 88 LYS H 1.0 1.8 5.5 1389 1179 A 85 LEU HA A 88 LYS HE2 1.0 1.8 5.5 1390 1179 A 85 LEU HA A 88 LYS HE3 1.0 1.8 5.5 1391 1180 A 85 LEU HA A 88 LYS HGy 1.0 1.8 5.5 1392 1181 A 85 LEU HA A 88 LYS HGx 1.0 1.8 5.5 1393 1182 A 85 LEU HDy% A 88 LYS HBy 1.0 1.8 5.5 1394 1183 A 85 LEU HDy% A 88 LYS HBx 1.0 1.8 5.5 1395 1184 A 85 LEU HDy% A 88 LYS HE2 1.0 1.8 5.5 1396 1184 A 85 LEU HDy% A 88 LYS HE3 1.0 1.8 5.5 1397 1185 A 85 LEU HA A 89 LEU H 1.0 1.8 5.5 1398 1186 A 85 LEU HDy% A 89 LEU H 1.0 1.8 5.5 1399 1187 A 85 LEU HBy A 89 LEU HDy% 1.0 1.8 5.0 1400 1188 A 85 LEU HBx A 89 LEU HDy% 1.0 1.8 5.0 1401 1189 A 85 LEU HDx% A 89 LEU HDy% 1.0 1.8 5.5 1402 1190 A 85 LEU HDy% A 89 LEU HDx% 1.0 1.8 5.0 1403 1191 A 85 LEU HDy% A 89 LEU HDy% 1.0 1.8 5.5 1404 1192 A 88 LYS H A 86 ALA HA 1.0 1.8 5.0 1405 1193 A 86 ALA H A 88 LYS H 1.0 1.8 5.0 1406 1194 A 89 LEU H A 86 ALA HA 1.0 1.8 5.0 1407 1195 A 86 ALA H A 89 LEU HDy% 1.0 1.8 5.0 1408 1196 A 89 LEU HBy A 86 ALA HA 1.0 1.8 5.0 1409 1197 A 89 LEU HBx A 86 ALA HA 1.0 1.8 5.5 1410 1198 A 89 LEU HDy% A 86 ALA HA 1.0 1.8 5.0 1411 1199 A 86 ALA HB% A 89 LEU HDy% 1.0 1.8 5.0 1412 1200 A 89 LEU HA A 86 ALA HA 1.0 1.8 5.0 1413 1201 A 89 LEU HG A 86 ALA HA 1.0 1.8 5.0 1414 1202 A 90 ALA H A 86 ALA HA 1.0 1.8 5.0 1415 1203 A 86 ALA HB% A 90 ALA H 1.0 1.8 5.0 1416 1204 A 87 GLN H A 89 LEU H 1.0 1.8 5.0 1417 1205 A 87 GLN HA A 90 ALA H 1.0 1.8 5.0 1418 1206 A 87 GLN H A 90 ALA H 1.0 1.8 5.0 1419 1207 A 87 GLN HA A 90 ALA HB% 1.0 1.8 5.5 1420 1208 A 90 ALA HB% A 87 GLN HGy 1.0 1.8 5.5 1421 1209 A 90 ALA HB% A 87 GLN HGx 1.0 1.8 5.5 1422 1210 A 87 GLN HA A 91 GLU H 1.0 1.8 5.5 1423 1211 A 90 ALA H A 88 LYS HBy 1.0 1.8 5.5 1424 1212 A 88 LYS H A 90 ALA H 1.0 1.8 5.0 1425 1213 A 88 LYS H A 90 ALA HB% 1.0 1.8 5.0 1426 1214 A 89 LEU HA A 92 SER H 1.0 1.8 5.0 1427 1215 A 89 LEU HDx% A 92 SER HB2 1.0 1.8 5.0 1428 1215 A 89 LEU HDx% A 92 SER HB3 1.0 1.8 5.0 1429 1216 A 89 LEU HA A 92 SER HB2 1.0 1.8 5.0 1430 1216 A 89 LEU HA A 92 SER HB3 1.0 1.8 5.0 1431 1217 A 90 ALA H A 92 SER H 1.0 1.8 5.0 1432 1218 A 93 GLU H A 90 ALA HA 1.0 1.8 5.5 1433 1219 A 90 ALA HB% A 93 GLU H 1.0 1.8 5.0 1434 1220 A 93 GLU HBy A 90 ALA HA 1.0 1.8 5.0 1435 1221 A 93 GLU HBx A 90 ALA HA 1.0 1.8 5.0 1436 1222 A 93 GLU HGy A 90 ALA HA 1.0 1.8 5.0 1437 1223 A 93 GLU HGx A 90 ALA HA 1.0 1.8 5.5 1438 1224 A 90 ALA HA A 95 LEU HDy% 1.0 1.8 5.5 1439 1225 A 90 ALA HA A 95 LEU HB2 1.0 1.8 5.5 1440 1225 A 95 LEU HB3 A 90 ALA HA 1.0 1.8 5.5 1441 1226 A 91 GLU H A 93 GLU H 1.0 1.8 5.5 1442 1227 A 91 GLU HA A 95 LEU H 1.0 1.8 5.5 1443 1228 A 91 GLU H A 95 LEU HDy% 1.0 1.8 5.5 1444 1228 A 91 GLU H A 95 LEU HDx% 1.0 1.8 5.5 1445 1229 A 93 GLU H A 95 LEU HB2 1.0 1.8 5.0 1446 1229 A 93 GLU H A 95 LEU HB3 1.0 1.8 5.0 1447 1230 A 93 GLU H A 95 LEU HDy% 1.0 1.8 5.0 1448 1230 A 93 GLU H A 95 LEU HDx% 1.0 1.8 5.0 1449 1231 A 93 GLU HGy A 95 LEU HDy% 1.0 1.8 4.0 1450 1232 A 93 GLU HA A 96 SER HB2 1.0 1.8 5.0 1451 1232 A 93 GLU HA A 96 SER HB3 1.0 1.8 5.0 1452 1233 A 93 GLU HBy A 97 LEU HDy% 1.0 1.8 5.0 1453 1234 A 93 GLU HBx A 97 LEU HDy% 1.0 1.8 5.0 1454 1235 A 98 LEU H A 96 SER HA 1.0 1.8 5.5 1455 1236 A 97 LEU HA A 100 VAL HGx% 1.0 1.8 5.5 1456 1237 A 100 VAL HGy% A 97 LEU HA 1.0 1.8 5.5 1457 1238 A 3 TYR HE% A 11 ALA HB% 1.0 1.8 5.0 1458 1239 A 3 TYR HE% A 15 LEU HDx% 1.0 1.8 5.0 1459 1240 A 3 TYR HE% A 61 LEU HDy% 1.0 1.8 5.0 1460 1241 A 3 TYR HE% A 64 ARG HD2 1.0 1.8 5.5 1461 1241 A 3 TYR HE% A 64 ARG HD3 1.0 1.8 5.5 1462 1242 A 3 TYR HD% A 64 ARG HD2 1.0 1.8 5.5 1463 1242 A 3 TYR HD% A 64 ARG HD3 1.0 1.8 5.5 1464 1243 A 3 TYR HD% A 66 LEU HDy% 1.0 1.8 5.5 1465 1244 A 3 TYR HE% A 66 LEU HDy% 1.0 1.8 5.0 1466 1245 A 3 TYR HBy A 66 LEU HDy% 1.0 1.8 5.0 1467 1246 A 3 TYR HBx A 66 LEU HDy% 1.0 1.8 4.0 1468 1247 A 3 TYR HD% A 85 LEU HDx% 1.0 1.8 5.5 1469 1248 A 3 TYR HE% A 85 LEU HDx% 1.0 1.8 5.5 1470 1249 A 3 TYR HA A 85 LEU HDx% 1.0 1.8 5.5 1471 1250 A 4 TRP HA A 85 LEU HDx% 1.0 1.8 5.5 1472 1251 A 4 TRP HA A 85 LEU HDy% 1.0 1.8 5.5 1473 1252 A 4 TRP HE3 A 85 LEU HDy% 1.0 1.8 5.5 1474 1253 A 85 LEU HDy% A 4 TRP HZ3 1.0 1.8 5.0 1475 1254 A 88 LYS H A 4 TRP HZ3 1.0 1.8 5.5 1476 1255 A 4 TRP HH2 A 88 LYS HBy 1.0 1.8 5.5 1477 1256 A 4 TRP HH2 A 88 LYS HBx 1.0 1.8 5.0 1478 1257 A 88 LYS HGx A 4 TRP HH2 1.0 1.8 5.0 1479 1258 A 4 TRP HZ3 A 88 LYS HD2 1.0 1.8 5.0 1480 1258 A 4 TRP HZ3 A 88 LYS HD3 1.0 1.8 5.0 1481 1259 A 88 LYS HGy A 4 TRP HZ3 1.0 1.8 5.0 1482 1260 A 88 LYS HA A 4 TRP HH2 1.0 1.8 5.0 1483 1261 A 4 TRP HZ2 A 88 LYS HBy 1.0 1.8 5.0 1484 1261 A 4 TRP HZ2 A 88 LYS HBx 1.0 1.8 5.0 1485 1262 A 4 TRP HZ3 A 88 LYS HBx 1.0 1.8 5.5 1486 1263 A 89 LEU H A 4 TRP HH2 1.0 1.8 5.5 1487 1264 A 89 LEU HDx% A 4 TRP HE1 1.0 1.8 5.0 1488 1265 A 4 TRP HE3 A 89 LEU HDx% 1.0 1.8 5.0 1489 1266 A 89 LEU HDx% A 4 TRP HH2 1.0 1.8 5.0 1490 1267 A 89 LEU HG A 4 TRP HH2 1.0 1.8 5.0 1491 1268 A 89 LEU HDx% A 4 TRP HZ2 1.0 1.8 5.5 1492 1269 A 89 LEU HA A 4 TRP HH2 1.0 1.8 5.0 1493 1270 A 89 LEU HA A 4 TRP HZ2 1.0 1.8 5.5 1494 1271 A 4 TRP HA A 89 LEU HDx% 1.0 1.8 5.5 1495 1272 A 4 TRP HH2 A 92 SER HB2 1.0 1.8 5.5 1496 1272 A 92 SER HB3 A 4 TRP HH2 1.0 1.8 5.5 1497 1273 A 4 TRP HZ2 A 92 SER HB2 1.0 1.8 5.5 1498 1273 A 92 SER HB3 A 4 TRP HZ2 1.0 1.8 5.5 1499 1274 A 5 PRO HA A 11 ALA HB% 1.0 1.8 5.0 1500 1275 A 5 PRO HBx A 11 ALA HB% 1.0 1.8 5.0 1501 1276 A 5 PRO HBx A 12 ARG H 1.0 1.8 5.0 1502 1277 A 5 PRO HBy A 12 ARG HA 1.0 1.8 5.5 1503 1278 A 12 ARG HA A 5 PRO HG2 1.0 1.8 5.5 1504 1278 A 5 PRO HG3 A 12 ARG HA 1.0 1.8 5.5 1505 1279 A 15 LEU HDx% A 5 PRO HG2 1.0 1.8 5.5 1506 1279 A 5 PRO HG3 A 15 LEU HDx% 1.0 1.8 5.5 1507 1280 A 5 PRO HDy A 85 LEU HDx% 1.0 1.8 5.5 1508 1281 A 5 PRO HDy A 85 LEU HDy% 1.0 1.8 5.5 1509 1282 A 5 PRO HDx A 85 LEU HDx% 1.0 1.8 5.5 1510 1283 A 5 PRO HDx A 85 LEU HDy% 1.0 1.8 5.0 1511 1284 A 5 PRO HDx A 89 LEU HDx% 1.0 1.8 5.0 1512 1285 A 5 PRO HDx A 89 LEU HDy% 1.0 1.8 5.0 1513 1286 A 89 LEU HDx% A 5 PRO HG2 1.0 1.8 5.0 1514 1286 A 5 PRO HG3 A 89 LEU HDx% 1.0 1.8 5.0 1515 1287 A 89 LEU HDy% A 5 PRO HG2 1.0 1.8 5.0 1516 1287 A 5 PRO HG3 A 89 LEU HDy% 1.0 1.8 5.0 1517 1288 A 5 PRO HDy A 89 LEU HDx% 1.0 1.8 5.0 1518 1289 A 8 HIS HA A 43 LYS HD2 1.0 1.8 5.0 1519 1289 A 43 LYS HD3 A 8 HIS HA 1.0 1.8 5.0 1520 1290 A 57 ALA HB% A 10 GLY HA2 1.0 1.8 5.0 1521 1290 A 10 GLY HA3 A 57 ALA HB% 1.0 1.8 5.0 1522 1291 A 11 ALA H A 57 ALA HB% 1.0 1.8 5.0 1523 1292 A 11 ALA HB% A 57 ALA HA 1.0 1.8 5.0 1524 1293 A 11 ALA HA A 57 ALA HB% 1.0 1.8 5.0 1525 1294 A 11 ALA HB% A 60 SER HB2 1.0 1.8 5.0 1526 1294 A 11 ALA HB% A 60 SER HB3 1.0 1.8 5.0 1527 1295 A 11 ALA H A 61 LEU HDy% 1.0 1.8 5.0 1528 1295 A 11 ALA H A 61 LEU HDx% 1.0 1.8 5.0 1529 1296 A 61 LEU HDx% A 11 ALA HA 1.0 1.8 4.0 1530 1297 A 11 ALA HB% A 61 LEU HG 1.0 1.8 5.5 1531 1298 A 11 ALA HB% A 61 LEU HDy% 1.0 1.8 5.5 1532 1299 A 11 ALA HB% A 61 LEU HA 1.0 1.8 5.5 1533 1300 A 11 ALA HA A 61 LEU HDy% 1.0 1.8 5.0 1534 1300 A 61 LEU HDx% A 11 ALA HA 1.0 1.8 5.0 1535 1301 A 61 LEU HG A 11 ALA HA 1.0 1.8 5.0 1536 1302 A 12 ARG H A 61 LEU HDy% 1.0 1.8 5.0 1537 1303 A 12 ARG HA A 89 LEU HDy% 1.0 1.8 5.0 1538 1304 A 12 ARG HGy A 89 LEU HDy% 1.0 1.8 5.5 1539 1305 A 12 ARG HGx A 89 LEU HDx% 1.0 1.8 5.0 1540 1306 A 12 ARG HGx A 89 LEU HDy% 1.0 1.8 5.0 1541 1307 A 12 ARG HGy A 89 LEU HDx% 1.0 1.8 5.0 1542 1308 A 13 VAL HGy% A 40 CYS HBy 1.0 1.8 5.5 1543 1309 A 40 CYS HA A 13 VAL HGx% 1.0 1.8 5.0 1544 1310 A 13 VAL HGy% A 40 CYS HA 1.0 1.8 5.0 1545 1311 A 13 VAL HGy% A 40 CYS HBx 1.0 1.8 5.5 1546 1312 A 13 VAL HGx% A 43 LYS HE2 1.0 1.8 5.5 1547 1312 A 13 VAL HGy% A 43 LYS HE2 1.0 1.8 5.5 1548 1312 A 43 LYS HE3 A 13 VAL HGx% 1.0 1.8 5.5 1549 1312 A 13 VAL HGy% A 43 LYS HE3 1.0 1.8 5.5 1550 1313 A 13 VAL HGy% A 43 LYS HBy 1.0 1.8 5.5 1551 1314 A 13 VAL HGy% A 43 LYS HBx 1.0 1.8 5.5 1552 1315 A 13 VAL HGy% A 43 LYS HD3 1.0 1.8 5.5 1553 1315 A 13 VAL HGy% A 43 LYS HD2 1.0 1.8 5.5 1554 1316 A 13 VAL HGy% A 43 LYS HG3 1.0 1.8 5.5 1555 1316 A 13 VAL HGy% A 43 LYS HG2 1.0 1.8 5.5 1556 1317 A 43 LYS HE3 A 13 VAL HGx% 1.0 1.8 5.5 1557 1317 A 13 VAL HGx% A 43 LYS HE2 1.0 1.8 5.5 1558 1318 A 44 SER HB3 A 13 VAL HGx% 1.0 1.8 5.5 1559 1318 A 13 VAL HGx% A 44 SER HB2 1.0 1.8 5.5 1560 1319 A 13 VAL HGy% A 44 SER HB3 1.0 1.8 5.5 1561 1319 A 13 VAL HGy% A 44 SER HB2 1.0 1.8 5.5 1562 1320 A 13 VAL HGy% A 44 SER HB2 1.0 1.8 5.5 1563 1320 A 13 VAL HGx% A 44 SER HB2 1.0 1.8 5.5 1564 1320 A 44 SER HB3 A 13 VAL HGx% 1.0 1.8 5.5 1565 1320 A 13 VAL HGy% A 44 SER HB3 1.0 1.8 5.5 1566 1321 A 14 ILE HA A 36 LEU HDy% 1.0 1.8 5.5 1567 1322 A 14 ILE HB A 55 TRP HZ2 1.0 1.8 5.5 1568 1323 A 14 ILE HD1% A 57 ALA HB% 1.0 1.8 5.0 1569 1324 A 14 ILE HD1% A 58 LEU HDy% 1.0 1.8 5.0 1570 1325 A 14 ILE HD1% A 58 LEU HA 1.0 1.8 5.0 1571 1326 A 14 ILE HD1% A 58 LEU HBy 1.0 1.8 5.5 1572 1326 A 14 ILE HD1% A 58 LEU HBx 1.0 1.8 5.5 1573 1327 A 14 ILE H A 61 LEU HDy% 1.0 1.8 5.0 1574 1327 A 14 ILE H A 61 LEU HDx% 1.0 1.8 5.0 1575 1328 A 14 ILE HD1% A 61 LEU HDx% 1.0 1.8 5.5 1576 1329 A 14 ILE HG2% A 61 LEU HDx% 1.0 1.8 5.5 1577 1330 A 14 ILE HG2% A 61 LEU HBx 1.0 1.8 5.0 1578 1331 A 14 ILE HB A 61 LEU HDy% 1.0 1.8 5.0 1579 1331 A 14 ILE HB A 61 LEU HDx% 1.0 1.8 5.0 1580 1332 A 15 LEU H A 61 LEU HDy% 1.0 1.8 5.0 1581 1332 A 15 LEU H A 61 LEU HDx% 1.0 1.8 5.0 1582 1333 A 61 LEU HBy A 15 LEU HDy% 1.0 1.8 5.5 1583 1334 A 61 LEU HBx A 15 LEU HDy% 1.0 1.8 5.5 1584 1335 A 15 LEU HDy% A 61 LEU HDy% 1.0 1.8 5.5 1585 1336 A 15 LEU HA A 78 LEU HDy% 1.0 1.8 5.5 1586 1337 A 15 LEU HBx A 82 GLY HA3 1.0 1.8 5.5 1587 1338 A 82 GLY HA2 A 15 LEU HDy% 1.0 1.8 5.5 1588 1339 A 15 LEU HDx% A 85 LEU H 1.0 1.8 5.5 1589 1340 A 85 LEU HBx A 15 LEU HDy% 1.0 1.8 5.5 1590 1340 A 15 LEU HDx% A 85 LEU HBx 1.0 1.8 5.5 1591 1341 A 85 LEU HBy A 15 LEU HDy% 1.0 1.8 5.5 1592 1342 A 15 LEU HDx% A 85 LEU HDx% 1.0 1.8 5.0 1593 1343 A 15 LEU HDx% A 85 LEU HDy% 1.0 1.8 5.5 1594 1344 A 15 LEU HDx% A 86 ALA H 1.0 1.8 5.5 1595 1345 A 86 ALA H A 15 LEU HDy% 1.0 1.8 5.0 1596 1346 A 15 LEU HA A 86 ALA HB% 1.0 1.8 5.0 1597 1347 A 86 ALA HB% A 15 LEU HDy% 1.0 1.8 5.5 1598 1347 A 15 LEU HDx% A 86 ALA HB% 1.0 1.8 5.5 1599 1348 A 15 LEU HDx% A 86 ALA HA 1.0 1.8 5.5 1600 1349 A 86 ALA HB% A 15 LEU HDy% 1.0 1.8 5.5 1601 1350 A 86 ALA HA A 15 LEU HDy% 1.0 1.8 5.5 1602 1350 A 15 LEU HDx% A 86 ALA HA 1.0 1.8 5.5 1603 1351 A 15 LEU HBx A 86 ALA HB% 1.0 1.8 5.5 1604 1352 A 89 LEU HDx% A 15 LEU HDy% 1.0 1.8 5.5 1605 1352 A 15 LEU HDx% A 89 LEU HDx% 1.0 1.8 5.5 1606 1353 A 15 LEU HDx% A 89 LEU HDy% 1.0 1.8 5.5 1607 1354 A 89 LEU HDy% A 15 LEU HDy% 1.0 1.8 5.5 1608 1355 A 15 LEU HBx A 89 LEU HDy% 1.0 1.8 5.5 1609 1356 A 43 LYS HE3 A 16 LEU HDy% 1.0 1.8 5.5 1610 1356 A 16 LEU HDy% A 43 LYS HE2 1.0 1.8 5.5 1611 1357 A 16 LEU H A 78 LEU HDy% 1.0 1.8 5.5 1612 1358 A 16 LEU HG A 86 ALA HB% 1.0 1.8 5.5 1613 1359 A 16 LEU HDx% A 86 ALA HA 1.0 1.8 5.5 1614 1360 A 16 LEU HDx% A 86 ALA HB% 1.0 1.8 5.5 1615 1361 A 16 LEU HDx% A 89 LEU H 1.0 1.8 5.5 1616 1362 A 89 LEU HA A 16 LEU HDy% 1.0 1.8 5.5 1617 1362 A 16 LEU HDx% A 89 LEU HA 1.0 1.8 5.5 1618 1363 A 16 LEU HA A 90 ALA H 1.0 1.8 5.0 1619 1364 A 16 LEU HDx% A 90 ALA H 1.0 1.8 5.0 1620 1365 A 16 LEU HDx% A 90 ALA HB% 1.0 1.8 5.5 1621 1366 A 16 LEU HDx% A 90 ALA HA 1.0 1.8 5.5 1622 1367 A 90 ALA HA A 16 LEU HDy% 1.0 1.8 5.0 1623 1368 A 16 LEU HDx% A 91 GLU H 1.0 1.8 5.5 1624 1369 A 93 GLU H A 16 LEU HDy% 1.0 1.8 5.0 1625 1370 A 93 GLU HGy A 16 LEU HDy% 1.0 1.8 5.0 1626 1370 A 16 LEU HDx% A 93 GLU HGy 1.0 1.8 5.0 1627 1371 A 93 GLU HGx A 16 LEU HDy% 1.0 1.8 5.0 1628 1371 A 16 LEU HDx% A 93 GLU HGx 1.0 1.8 5.0 1629 1372 A 16 LEU HDx% A 93 GLU HGy 1.0 1.8 5.5 1630 1373 A 93 GLU HGy A 16 LEU HDy% 1.0 1.8 5.5 1631 1374 A 16 LEU HDx% A 93 GLU HGx 1.0 1.8 5.5 1632 1375 A 93 GLU HGx A 16 LEU HDy% 1.0 1.8 5.5 1633 1376 A 17 VAL HB A 36 LEU HDy% 1.0 1.8 5.5 1634 1377 A 17 VAL HGx% A 36 LEU HA 1.0 1.8 5.5 1635 1378 A 17 VAL HGy% A 36 LEU HDy% 1.0 1.8 5.5 1636 1379 A 17 VAL HGy% A 36 LEU HG 1.0 1.8 5.5 1637 1380 A 17 VAL HGx% A 39 ARG HDy 1.0 1.8 5.5 1638 1381 A 17 VAL HGx% A 39 ARG HDx 1.0 1.8 5.5 1639 1382 A 17 VAL HGy% A 39 ARG HB2 1.0 1.8 5.5 1640 1382 A 17 VAL HGy% A 39 ARG HB3 1.0 1.8 5.5 1641 1383 A 17 VAL HGy% A 39 ARG HDx 1.0 1.8 5.5 1642 1384 A 17 VAL HGx% A 39 ARG HGy 1.0 1.8 5.5 1643 1385 A 17 VAL HGy% A 39 ARG HGy 1.0 1.8 5.5 1644 1386 A 17 VAL HGx% A 39 ARG HGx 1.0 1.8 5.5 1645 1387 A 17 VAL HGx% A 39 ARG HA 1.0 1.8 5.5 1646 1388 A 17 VAL HGy% A 39 ARG HA 1.0 1.8 5.5 1647 1389 A 17 VAL HGx% A 40 CYS H 1.0 1.8 5.5 1648 1390 A 17 VAL HGy% A 40 CYS H 1.0 1.8 5.5 1649 1391 A 17 VAL HB A 40 CYS HA 1.0 1.8 5.5 1650 1392 A 17 VAL HGx% A 40 CYS HA 1.0 1.8 5.5 1651 1393 A 17 VAL HGy% A 40 CYS HA 1.0 1.8 5.5 1652 1394 A 17 VAL HGy% A 40 CYS HBy 1.0 1.8 5.5 1653 1395 A 17 VAL HGy% A 41 ALA H 1.0 1.8 5.5 1654 1396 A 17 VAL HGy% A 42 GLN H 1.0 1.8 5.5 1655 1397 A 17 VAL HGx% A 43 LYS HE2 1.0 1.8 5.5 1656 1397 A 17 VAL HGx% A 43 LYS HE3 1.0 1.8 5.5 1657 1398 A 17 VAL HGx% A 43 LYS HD2 1.0 1.8 5.5 1658 1398 A 17 VAL HGx% A 43 LYS HD3 1.0 1.8 5.5 1659 1399 A 18 LEU HDy% A 30 PHE HA 1.0 1.8 5.5 1660 1400 A 18 LEU HDy% A 31 LEU H 1.0 1.8 5.5 1661 1401 A 18 LEU HA A 31 LEU HDx% 1.0 1.8 5.5 1662 1402 A 18 LEU HDy% A 76 TYR HBy 1.0 1.8 5.5 1663 1403 A 18 LEU HDy% A 76 TYR HBx 1.0 1.8 5.0 1664 1404 A 18 LEU HBy A 77 SER H 1.0 1.8 5.5 1665 1405 A 18 LEU HDy% A 77 SER H 1.0 1.8 5.0 1666 1406 A 18 LEU HDx% A 77 SER HA 1.0 1.8 5.0 1667 1407 A 18 LEU HDy% A 77 SER HA 1.0 1.8 5.5 1668 1408 A 18 LEU HG A 78 LEU H 1.0 1.8 5.5 1669 1409 A 18 LEU HG A 78 LEU HA 1.0 1.8 5.5 1670 1410 A 19 TYR H A 78 LEU HDx% 1.0 1.8 5.5 1671 1411 A 19 TYR HA A 78 LEU HDx% 1.0 1.8 5.5 1672 1412 A 19 TYR HBy A 78 LEU HDx% 1.0 1.8 5.5 1673 1413 A 19 TYR HD% A 78 LEU HDx% 1.0 1.8 5.5 1674 1414 A 19 TYR HA A 83 LEU HDy% 1.0 1.8 5.5 1675 1415 A 19 TYR HD% A 83 LEU HDx% 1.0 1.8 5.5 1676 1416 A 19 TYR HD% A 83 LEU HDy% 1.0 1.8 5.5 1677 1417 A 83 LEU HDx% A 19 TYR HE% 1.0 1.8 5.0 1678 1418 A 19 TYR HE% A 83 LEU HDy% 1.0 1.8 5.0 1679 1419 A 19 TYR HD% A 83 LEU HA 1.0 1.8 5.5 1680 1420 A 19 TYR HD% A 83 LEU HDy% 1.0 1.8 5.5 1681 1420 A 19 TYR HD% A 83 LEU HDx% 1.0 1.8 5.5 1682 1421 A 19 TYR HE% A 83 LEU HDy% 1.0 1.8 5.5 1683 1421 A 83 LEU HDx% A 19 TYR HE% 1.0 1.8 5.5 1684 1422 A 19 TYR H A 86 ALA HB% 1.0 1.8 5.5 1685 1423 A 19 TYR HBy A 86 ALA HB% 1.0 1.8 5.5 1686 1424 A 19 TYR HBx A 86 ALA HB% 1.0 1.8 5.0 1687 1425 A 19 TYR HD% A 86 ALA HB% 1.0 1.8 5.5 1688 1426 A 86 ALA HB% A 19 TYR HE% 1.0 1.8 5.5 1689 1427 A 19 TYR HD% A 87 GLN H 1.0 1.8 5.5 1690 1428 A 87 GLN H A 19 TYR HE% 1.0 1.8 5.5 1691 1429 A 87 GLN HBy A 19 TYR HE% 1.0 1.8 5.0 1692 1430 A 87 GLN HBx A 19 TYR HE% 1.0 1.8 5.5 1693 1431 A 19 TYR HE% A 87 GLN HGy 1.0 1.8 5.5 1694 1432 A 19 TYR HE% A 87 GLN HGx 1.0 1.8 5.5 1695 1433 A 19 TYR HD% A 87 GLN HA 1.0 1.8 5.0 1696 1434 A 87 GLN HA A 19 TYR HE% 1.0 1.8 5.5 1697 1435 A 19 TYR HD% A 90 ALA HB% 1.0 1.8 5.5 1698 1436 A 90 ALA HB% A 19 TYR HE% 1.0 1.8 5.0 1699 1437 A 19 TYR HD% A 97 LEU HDx% 1.0 1.8 5.0 1700 1438 A 19 TYR HD% A 97 LEU HDy% 1.0 1.8 5.0 1701 1439 A 19 TYR HE% A 97 LEU HDx% 1.0 1.8 5.5 1702 1440 A 19 TYR HE% A 97 LEU HDy% 1.0 1.8 5.5 1703 1441 A 19 TYR HE% A 97 LEU HB2 1.0 1.8 5.0 1704 1441 A 97 LEU HB3 A 19 TYR HE% 1.0 1.8 5.0 1705 1442 A 19 TYR HD% A 97 LEU HDy% 1.0 1.8 5.5 1706 1442 A 19 TYR HD% A 97 LEU HDx% 1.0 1.8 5.5 1707 1443 A 20 ARG HB3 A 97 LEU HDx% 1.0 1.8 5.5 1708 1443 A 97 LEU HDx% A 20 ARG HB2 1.0 1.8 5.5 1709 1444 A 20 ARG HA A 97 LEU HDy% 1.0 1.8 5.5 1710 1444 A 20 ARG HA A 97 LEU HDx% 1.0 1.8 5.5 1711 1445 A 20 ARG H A 98 LEU H 1.0 1.8 5.5 1712 1446 A 21 GLU HA A 27 GLY HA2 1.0 1.8 5.0 1713 1446 A 21 GLU HA A 27 GLY HA3 1.0 1.8 5.0 1714 1447 A 29 HIS HA A 21 GLU HG2 1.0 1.8 5.5 1715 1447 A 21 GLU HG3 A 29 HIS HA 1.0 1.8 5.5 1716 1448 A 30 PHE H A 21 GLU HG2 1.0 1.8 5.5 1717 1448 A 21 GLU HG3 A 30 PHE H 1.0 1.8 5.5 1718 1449 A 21 GLU H A 31 LEU HDx% 1.0 1.8 5.5 1719 1450 A 31 LEU HDx% A 21 GLU HG2 1.0 1.8 5.0 1720 1450 A 21 GLU HG3 A 31 LEU HDx% 1.0 1.8 5.0 1721 1451 A 21 GLU HG3 A 31 LEU HDy% 1.0 1.8 5.0 1722 1451 A 21 GLU HG2 A 31 LEU HDy% 1.0 1.8 5.0 1723 1452 A 31 LEU HG A 21 GLU HG2 1.0 1.8 5.5 1724 1452 A 21 GLU HG3 A 31 LEU HG 1.0 1.8 5.5 1725 1453 A 21 GLU HA A 98 LEU HDy% 1.0 1.8 5.0 1726 1454 A 22 HIS HA A 29 HIS HBy 1.0 1.8 5.0 1727 1455 A 22 HIS HA A 29 HIS HBx 1.0 1.8 5.5 1728 1456 A 22 HIS HA A 29 HIS HA 1.0 1.8 5.0 1729 1457 A 22 HIS HA A 29 HIS HD2 1.0 1.8 5.5 1730 1458 A 22 HIS HBx A 30 PHE H 1.0 1.8 5.0 1731 1459 A 22 HIS H A 31 LEU HDx% 1.0 1.8 5.5 1732 1460 A 22 HIS HE1 A 77 SER HB2 1.0 1.8 5.5 1733 1460 A 77 SER HB3 A 22 HIS HE1 1.0 1.8 5.5 1734 1461 A 22 HIS HBy A 78 LEU HDx% 1.0 1.8 5.5 1735 1462 A 22 HIS HBx A 78 LEU HDx% 1.0 1.8 5.5 1736 1463 A 22 HIS HD2 A 78 LEU HDx% 1.0 1.8 5.0 1737 1464 A 22 HIS HBx A 78 LEU HBy 1.0 1.8 5.5 1738 1465 A 22 HIS HBy A 83 LEU HDx% 1.0 1.8 5.5 1739 1466 A 22 HIS HBy A 83 LEU HDy% 1.0 1.8 5.5 1740 1467 A 22 HIS HBx A 83 LEU HDx% 1.0 1.8 5.5 1741 1468 A 22 HIS HBx A 83 LEU HDy% 1.0 1.8 5.5 1742 1469 A 83 LEU HDx% A 22 HIS HE1 1.0 1.8 5.0 1743 1470 A 22 HIS HE1 A 83 LEU HDy% 1.0 1.8 5.5 1744 1471 A 22 HIS HD2 A 83 LEU HDy% 1.0 1.8 5.5 1745 1471 A 22 HIS HD2 A 83 LEU HDx% 1.0 1.8 5.5 1746 1472 A 22 HIS HD2 A 83 LEU HG 1.0 1.8 5.5 1747 1473 A 23 LEU HDx% A 78 LEU HBx 1.0 1.8 5.5 1748 1474 A 23 LEU HDx% A 78 LEU HDy% 1.0 1.8 5.5 1749 1475 A 24 ASN HBx A 30 PHE H 1.0 1.8 5.5 1750 1476 A 75 ARG HBy A 30 PHE HBx 1.0 1.8 5.0 1751 1476 A 30 PHE HBy A 75 ARG HBy 1.0 1.8 5.0 1752 1477 A 75 ARG HBx A 30 PHE HBx 1.0 1.8 5.0 1753 1477 A 30 PHE HBy A 75 ARG HBx 1.0 1.8 5.0 1754 1478 A 30 PHE HD% A 75 ARG HBy 1.0 1.8 5.0 1755 1479 A 30 PHE HD% A 75 ARG HBx 1.0 1.8 5.0 1756 1480 A 30 PHE HBy A 75 ARG HBy 1.0 1.8 5.0 1757 1481 A 75 ARG HBy A 30 PHE HBx 1.0 1.8 5.0 1758 1482 A 30 PHE HBy A 75 ARG HBx 1.0 1.8 5.5 1759 1483 A 75 ARG HBx A 30 PHE HBx 1.0 1.8 5.5 1760 1484 A 30 PHE HBy A 75 ARG HA 1.0 1.8 5.5 1761 1485 A 30 PHE HD% A 75 ARG HA 1.0 1.8 5.5 1762 1486 A 30 PHE HA A 76 TYR H 1.0 1.8 5.5 1763 1487 A 30 PHE HD% A 76 TYR H 1.0 1.8 5.5 1764 1488 A 30 PHE HA A 77 SER HA 1.0 1.8 5.5 1765 1489 A 30 PHE HA A 77 SER HB2 1.0 1.8 5.5 1766 1489 A 30 PHE HA A 77 SER HB3 1.0 1.8 5.5 1767 1490 A 30 PHE HBy A 77 SER HA 1.0 1.8 5.5 1768 1491 A 77 SER HB3 A 30 PHE HBx 1.0 1.8 5.5 1769 1491 A 30 PHE HBx A 77 SER HB2 1.0 1.8 5.5 1770 1492 A 39 ARG HDy A 31 LEU HDx% 1.0 1.8 5.5 1771 1493 A 39 ARG HDx A 31 LEU HDx% 1.0 1.8 5.0 1772 1494 A 39 ARG HB3 A 31 LEU HDx% 1.0 1.8 5.5 1773 1494 A 31 LEU HDx% A 39 ARG HB2 1.0 1.8 5.5 1774 1495 A 31 LEU H A 75 ARG HA 1.0 1.8 5.5 1775 1496 A 31 LEU H A 76 TYR H 1.0 1.8 5.0 1776 1497 A 31 LEU H A 76 TYR HBy 1.0 1.8 5.0 1777 1498 A 76 TYR H A 31 LEU HBy 1.0 1.8 5.0 1778 1498 A 76 TYR H A 31 LEU HBx 1.0 1.8 5.0 1779 1499 A 31 LEU H A 77 SER HA 1.0 1.8 5.0 1780 1500 A 32 THR HG2% A 73 PRO HBy 1.0 1.8 5.5 1781 1501 A 32 THR HG2% A 73 PRO HG2 1.0 1.8 5.5 1782 1501 A 32 THR HG2% A 73 PRO HG3 1.0 1.8 5.5 1783 1502 A 32 THR HG2% A 75 ARG HA 1.0 1.8 5.5 1784 1503 A 32 THR HA A 75 ARG HA 1.0 1.8 5.5 1785 1504 A 32 THR HA A 76 TYR H 1.0 1.8 5.5 1786 1505 A 32 THR HA A 76 TYR HD% 1.0 1.8 5.5 1787 1506 A 32 THR HA A 76 TYR HE% 1.0 1.8 5.5 1788 1507 A 55 TRP HD1 A 33 LYS HE2 1.0 1.8 5.5 1789 1507 A 33 LYS HE3 A 55 TRP HD1 1.0 1.8 5.5 1790 1508 A 33 LYS HE3 A 58 LEU HDy% 1.0 1.8 5.5 1791 1508 A 33 LYS HE2 A 58 LEU HDy% 1.0 1.8 5.5 1792 1508 A 58 LEU HDx% A 33 LYS HE2 1.0 1.8 5.5 1793 1508 A 33 LYS HE3 A 58 LEU HDx% 1.0 1.8 5.5 1794 1509 A 33 LYS H A 75 ARG HA 1.0 1.8 5.5 1795 1510 A 33 LYS H A 76 TYR HD% 1.0 1.8 5.5 1796 1511 A 33 LYS H A 76 TYR HE% 1.0 1.8 5.5 1797 1512 A 33 LYS HBy A 76 TYR HE% 1.0 1.8 5.5 1798 1513 A 33 LYS HBx A 76 TYR HE% 1.0 1.8 5.5 1799 1514 A 33 LYS HA A 76 TYR HD% 1.0 1.8 5.5 1800 1515 A 33 LYS HA A 76 TYR HE% 1.0 1.8 5.5 1801 1516 A 36 LEU HBx A 55 TRP HH2 1.0 1.8 5.5 1802 1517 A 36 LEU HDx% A 55 TRP HH2 1.0 1.8 5.5 1803 1518 A 36 LEU HG A 55 TRP HH2 1.0 1.8 5.5 1804 1519 A 36 LEU HBy A 55 TRP HZ3 1.0 1.8 5.5 1805 1520 A 36 LEU HDx% A 55 TRP HZ3 1.0 1.8 5.5 1806 1521 A 36 LEU HG A 55 TRP HZ3 1.0 1.8 5.5 1807 1522 A 36 LEU HBy A 55 TRP HH2 1.0 1.8 5.0 1808 1523 A 36 LEU HDy% A 55 TRP HH2 1.0 1.8 5.0 1809 1524 A 36 LEU HG A 55 TRP HE3 1.0 1.8 5.5 1810 1525 A 36 LEU HDy% A 58 LEU HDy% 1.0 1.8 5.0 1811 1526 A 36 LEU HDx% A 58 LEU HDy% 1.0 1.8 5.5 1812 1526 A 36 LEU HDx% A 58 LEU HDx% 1.0 1.8 5.5 1813 1527 A 36 LEU HDy% A 58 LEU HDy% 1.0 1.8 5.5 1814 1527 A 36 LEU HDy% A 58 LEU HDx% 1.0 1.8 5.5 1815 1528 A 36 LEU HDy% A 76 TYR HBy 1.0 1.8 5.0 1816 1529 A 36 LEU HDy% A 76 TYR HBx 1.0 1.8 5.0 1817 1530 A 36 LEU HDx% A 76 TYR HBy 1.0 1.8 3.5 1818 1531 A 36 LEU HDx% A 76 TYR HBx 1.0 1.8 5.5 1819 1532 A 36 LEU HDy% A 76 TYR HD% 1.0 1.8 5.5 1820 1533 A 37 LEU H A 55 TRP HH2 1.0 1.8 5.5 1821 1534 A 37 LEU H A 55 TRP HZ3 1.0 1.8 5.0 1822 1535 A 37 LEU HDy% A 55 TRP HZ2 1.0 1.8 5.5 1823 1536 A 37 LEU HA A 55 TRP HH2 1.0 1.8 5.5 1824 1537 A 43 LYS HA A 93 GLU HGy 1.0 1.8 5.5 1825 1538 A 67 VAL HGy% A 58 LEU HDy% 1.0 1.8 5.0 1826 1538 A 58 LEU HDx% A 67 VAL HGy% 1.0 1.8 5.0 1827 1539 A 58 LEU HDx% A 76 TYR HD% 1.0 1.8 5.5 1828 1540 A 76 TYR HD% A 58 LEU HDy% 1.0 1.8 5.5 1829 1541 A 58 LEU HDx% A 76 TYR HE% 1.0 1.8 5.5 1830 1542 A 76 TYR HE% A 58 LEU HDy% 1.0 1.8 5.5 1831 1543 A 76 TYR HD% A 58 LEU HDy% 1.0 1.8 5.5 1832 1543 A 58 LEU HDx% A 76 TYR HD% 1.0 1.8 5.5 1833 1544 A 59 ARG H A 76 TYR HE% 1.0 1.8 5.0 1834 1545 A 61 LEU HBy A 67 VAL H 1.0 1.8 5.5 1835 1546 A 61 LEU HBx A 67 VAL H 1.0 1.8 5.0 1836 1547 A 61 LEU HBx A 67 VAL HGy% 1.0 1.8 5.0 1837 1548 A 61 LEU HA A 67 VAL HGx% 1.0 1.8 5.0 1838 1549 A 89 LEU HDy% A 61 LEU HDy% 1.0 1.8 5.0 1839 1550 A 62 LEU HDx% A 68 LEU HA 1.0 1.8 5.0 1840 1551 A 62 LEU HDx% A 69 ARG HBy 1.0 1.8 5.5 1841 1552 A 62 LEU HDx% A 69 ARG HBx 1.0 1.8 5.5 1842 1553 A 69 ARG HDy A 62 LEU HDy% 1.0 1.8 5.5 1843 1554 A 62 LEU HDy% A 69 ARG HDx 1.0 1.8 5.5 1844 1555 A 76 TYR H A 62 LEU HDy% 1.0 1.8 5.5 1845 1556 A 62 LEU HDx% A 76 TYR HD% 1.0 1.8 5.5 1846 1557 A 76 TYR HD% A 62 LEU HDy% 1.0 1.8 5.5 1847 1558 A 62 LEU HDx% A 76 TYR HE% 1.0 1.8 5.5 1848 1559 A 76 TYR HE% A 62 LEU HDy% 1.0 1.8 5.5 1849 1560 A 65 ASN HBx A 79 THR HG2% 1.0 1.8 5.5 1850 1561 A 66 LEU HA A 79 THR H 1.0 1.8 5.5 1851 1562 A 66 LEU HBx A 79 THR H 1.0 1.8 5.0 1852 1563 A 66 LEU H A 79 THR HG1 1.0 1.8 5.0 1853 1564 A 66 LEU HA A 79 THR HG2% 1.0 1.8 5.0 1854 1565 A 66 LEU HDx% A 81 GLU H 1.0 1.8 5.0 1855 1566 A 66 LEU HDx% A 81 GLU HBx 1.0 1.8 5.0 1856 1567 A 66 LEU HDx% A 81 GLU HGy 1.0 1.8 5.0 1857 1568 A 66 LEU HDx% A 81 GLU HGx 1.0 1.8 5.0 1858 1569 A 66 LEU HDx% A 81 GLU HBy 1.0 1.8 5.0 1859 1570 A 66 LEU HDx% A 81 GLU HA 1.0 1.8 5.5 1860 1571 A 66 LEU HA A 81 GLU HBx 1.0 1.8 5.0 1861 1572 A 66 LEU HBx A 82 GLY H 1.0 1.8 5.0 1862 1573 A 66 LEU HDx% A 82 GLY H 1.0 1.8 4.0 1863 1574 A 66 LEU HDy% A 82 GLY H 1.0 1.8 5.0 1864 1575 A 66 LEU HA A 82 GLY HA3 1.0 1.8 5.5 1865 1576 A 66 LEU HA A 82 GLY HA2 1.0 1.8 5.5 1866 1577 A 66 LEU HBy A 82 GLY HA3 1.0 1.8 5.0 1867 1578 A 66 LEU HBy A 82 GLY HA2 1.0 1.8 5.5 1868 1579 A 66 LEU HBx A 82 GLY HA3 1.0 1.8 5.5 1869 1580 A 66 LEU HBx A 82 GLY HA2 1.0 1.8 5.0 1870 1581 A 66 LEU HDx% A 82 GLY HA3 1.0 1.8 5.0 1871 1582 A 66 LEU HDx% A 82 GLY HA2 1.0 1.8 5.5 1872 1583 A 66 LEU HDy% A 82 GLY HA3 1.0 1.8 5.5 1873 1584 A 66 LEU HDy% A 82 GLY HA2 1.0 1.8 5.5 1874 1585 A 66 LEU HDx% A 85 LEU H 1.0 1.8 5.5 1875 1586 A 66 LEU HDy% A 85 LEU HBx 1.0 1.8 5.5 1876 1587 A 67 VAL HGy% A 76 TYR HBy 1.0 1.8 5.5 1877 1588 A 67 VAL HGy% A 76 TYR HBx 1.0 1.8 5.5 1878 1589 A 67 VAL HGy% A 76 TYR HA 1.0 1.8 5.5 1879 1590 A 67 VAL HGy% A 76 TYR HD% 1.0 1.8 5.5 1880 1591 A 67 VAL HGy% A 76 TYR HE% 1.0 1.8 5.5 1881 1592 A 67 VAL HGx% A 77 SER H 1.0 1.8 5.5 1882 1593 A 67 VAL HGy% A 77 SER H 1.0 1.8 5.0 1883 1594 A 67 VAL HB A 78 LEU HDy% 1.0 1.8 5.5 1884 1595 A 67 VAL HGy% A 78 LEU HA 1.0 1.8 5.5 1885 1596 A 67 VAL HA A 78 LEU HDy% 1.0 1.8 5.0 1886 1597 A 68 LEU H A 76 TYR HA 1.0 1.8 5.5 1887 1598 A 68 LEU HBy A 77 SER H 1.0 1.8 5.0 1888 1599 A 68 LEU HBx A 77 SER H 1.0 1.8 5.5 1889 1600 A 68 LEU H A 77 SER H 1.0 1.8 4.0 1890 1601 A 68 LEU HBx A 77 SER HA 1.0 1.8 5.5 1891 1602 A 68 LEU H A 79 THR H 1.0 1.8 4.0 1892 1603 A 69 ARG HBy A 76 TYR HD% 1.0 1.8 4.0 1893 1604 A 69 ARG HBx A 76 TYR HD% 1.0 1.8 5.0 1894 1605 A 69 ARG HBx A 76 TYR HE% 1.0 1.8 5.0 1895 1606 A 76 TYR HE% A 69 ARG HDy 1.0 1.8 4.0 1896 1607 A 76 TYR HE% A 69 ARG HDx 1.0 1.8 5.0 1897 1608 A 69 ARG HA A 76 TYR HA 1.0 1.8 5.0 1898 1609 A 69 ARG HA A 76 TYR HD% 1.0 1.8 5.0 1899 1610 A 69 ARG HA A 76 TYR HE% 1.0 1.8 5.0 1900 1611 A 69 ARG HBy A 76 TYR HE% 1.0 1.8 5.0 1901 1612 A 76 TYR HE% A 69 ARG HG2 1.0 1.8 5.5 1902 1612 A 69 ARG HG3 A 76 TYR HE% 1.0 1.8 5.5 1903 1613 A 69 ARG HA A 77 SER H 1.0 1.8 5.5 1904 1614 A 70 THR H A 76 TYR HA 1.0 1.8 5.0 1905 1615 A 78 LEU HDx% A 84 GLU H 1.0 1.8 5.0 1906 1616 A 78 LEU HDx% A 86 ALA H 1.0 1.8 4.0 1907 1617 A 78 LEU HDx% A 86 ALA HB% 1.0 1.8 5.0 1908 1618 A 78 LEU HDx% A 87 GLN H 1.0 1.8 5.5 1909 1619 A 90 ALA HB% A 97 LEU HDy% 1.0 1.8 5.0 1910 1619 A 90 ALA HB% A 97 LEU HDx% 1.0 1.8 5.0 1911 1620 A 91 GLU HA A 97 LEU HDx% 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 67 VAL HGx% A 58 LEU HDy% 1.0 1.8 4.0 2 1 A 15 LEU HDy% A 58 LEU HDy% 1.0 1.8 4.0 3 1 A 67 VAL HGx% A 89 LEU HDy% 1.0 1.8 4.0 4 1 A 89 LEU HDy% A 15 LEU HDy% 1.0 1.8 4.0 5 2 A 66 LEU HBy A 15 LEU HDy% 1.0 1.8 4.0 6 2 A 66 LEU HBy A 67 VAL HGx% 1.0 1.8 4.0 7 3 A 15 LEU HBy A 86 ALA HB% 1.0 1.8 5.5 8 3 A 15 LEU HBy A 85 LEU HDy% 1.0 1.8 5.5 9 4 A 16 LEU H A 17 VAL HGy% 1.0 1.8 5.5 10 4 A 13 VAL HGy% A 16 LEU H 1.0 1.8 5.5 11 4 A 16 LEU H A 13 VAL HGx% 1.0 1.8 5.5 12 5 A 79 THR H A 15 LEU HDy% 1.0 1.8 5.5 13 5 A 18 LEU HDx% A 79 THR H 1.0 1.8 5.5 14 5 A 15 LEU HDx% A 79 THR H 1.0 1.8 5.5 15 6 A 86 ALA H A 84 GLU HB2 1.0 1.8 5.0 16 6 A 86 ALA H A 87 GLN HBx 1.0 1.8 5.0 17 6 A 84 GLU HB3 A 86 ALA H 1.0 1.8 5.0 18 7 A 70 THR H A 31 LEU HDy% 1.0 1.8 5.5 19 7 A 68 LEU HDy% A 70 THR H 1.0 1.8 5.5 20 7 A 28 HIS H A 31 LEU HDy% 1.0 1.8 5.5 21 7 A 28 HIS H A 68 LEU HDy% 1.0 1.8 5.5 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _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 14 ILE N A 10 GLY O 1.0 2.8 3.3 2 2 A 14 ILE H A 10 GLY O 1.0 1.8 2.3 3 3 A 15 LEU N A 11 ALA O 1.0 2.8 3.3 4 4 A 15 LEU H A 11 ALA O 1.0 1.8 2.3 5 5 A 16 LEU N A 12 ARG O 1.0 2.8 3.3 6 6 A 16 LEU H A 12 ARG O 1.0 1.8 2.3 7 7 A 17 VAL N A 13 VAL O 1.0 2.8 3.3 8 8 A 17 VAL H A 13 VAL O 1.0 1.8 2.3 9 9 A 18 LEU N A 14 ILE O 1.0 2.8 3.3 10 10 A 18 LEU H A 14 ILE O 1.0 1.8 2.3 11 11 A 19 TYR N A 15 LEU O 1.0 2.8 3.3 12 12 A 19 TYR H A 15 LEU O 1.0 1.8 2.3 13 13 A 20 ARG N A 16 LEU O 1.0 2.8 3.3 14 14 A 20 ARG H A 16 LEU O 1.0 1.8 2.3 15 15 A 62 LEU N A 58 LEU O 1.0 2.8 3.3 16 16 A 62 LEU H A 58 LEU O 1.0 1.8 2.3 17 17 A 76 TYR N A 31 LEU O 1.0 2.8 3.3 18 18 A 76 TYR H A 31 LEU O 1.0 1.8 2.3 19 19 A 68 LEU N A 77 SER O 1.0 2.8 3.3 20 20 A 68 LEU H A 77 SER O 1.0 1.8 2.3 21 21 A 77 SER N A 68 LEU O 1.0 2.8 3.3 22 22 A 77 SER H A 68 LEU O 1.0 1.8 2.3 23 23 A 79 THR N A 66 LEU O 1.0 2.8 3.3 24 24 A 79 THR H A 66 LEU O 1.0 1.8 2.3 25 25 A 83 LEU N A 79 THR O 1.0 2.8 3.3 26 26 A 83 LEU H A 79 THR O 1.0 1.8 2.3 27 27 A 84 GLU N A 80 PRO O 1.0 2.8 3.3 28 28 A 84 GLU H A 80 PRO O 1.0 1.8 2.3 29 29 A 85 LEU N A 81 GLU O 1.0 2.8 3.3 30 30 A 85 LEU H A 81 GLU O 1.0 1.8 2.3 31 31 A 86 ALA N A 82 GLY O 1.0 2.8 3.3 32 32 A 86 ALA H A 82 GLY O 1.0 1.8 2.3 33 33 A 87 GLN N A 83 LEU O 1.0 2.8 3.3 34 34 A 87 GLN H A 83 LEU O 1.0 1.8 2.3 35 35 A 88 LYS N A 84 GLU O 1.0 2.8 3.3 36 36 A 88 LYS H A 84 GLU O 1.0 1.8 2.3 37 37 A 89 LEU N A 85 LEU O 1.0 2.8 3.3 38 38 A 89 LEU H A 85 LEU O 1.0 1.8 2.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 9 SER C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 -74.0 -50.0 PHI 2 2 A 10 GLY C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -68.0 -56.0 PHI 3 3 A 11 ALA C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -72.0 -56.0 PHI 4 4 A 12 ARG C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -81.0 -49.0 PHI 5 5 A 13 VAL C A 14 ILE N A 14 ILE CA A 14 ILE C 1.0 -74.0 -54.0 PHI 6 6 A 14 ILE C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -71.0 -51.0 PHI 7 7 A 15 LEU C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -73.0 -61.0 PHI 8 8 A 16 LEU C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -89.0 -49.0 PHI 9 9 A 17 VAL C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -73.0 -49.0 PHI 10 10 A 18 LEU C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -73.0 -53.0 PHI 11 11 A 19 TYR C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -71.0 -55.0 PHI 12 12 A 20 ARG C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -70.0 -62.0 PHI 13 13 A 21 GLU C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -79.0 -47.0 PHI 14 14 A 22 HIS C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -99.0 -51.0 PHI 15 15 A 30 PHE C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -164.0 -88.0 PHI 16 16 A 31 LEU C A 32 THR N A 32 THR CA A 32 THR C 1.0 -99.0 -59.0 PHI 17 17 A 32 THR C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -66.0 -54.0 PHI 18 18 A 33 LYS C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -79.0 -51.0 PHI 19 19 A 34 GLU C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -72.0 -60.0 PHI 20 20 A 35 GLU C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -69.0 -57.0 PHI 21 21 A 36 LEU C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -77.0 -49.0 PHI 22 22 A 37 LEU C A 38 GLN N A 38 GLN CA A 38 GLN C 1.0 -73.0 -49.0 PHI 23 23 A 38 GLN C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -73.0 -53.0 PHI 24 24 A 39 ARG C A 40 CYS N A 40 CYS CA A 40 CYS C 1.0 -71.0 -55.0 PHI 25 25 A 40 CYS C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -71.0 -51.0 PHI 26 26 A 41 ALA C A 42 GLN N A 42 GLN CA A 42 GLN C 1.0 -98.0 -58.0 PHI 27 27 A 57 ALA C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -73.0 -49.0 PHI 28 28 A 58 LEU C A 59 ARG N A 59 ARG CA A 59 ARG C 1.0 -74.0 -50.0 PHI 29 29 A 59 ARG C A 60 SER N A 60 SER CA A 60 SER C 1.0 -73.0 -61.0 PHI 30 30 A 60 SER C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -75.0 -55.0 PHI 31 31 A 61 LEU C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -76.0 -52.0 PHI 32 32 A 62 LEU C A 63 HIS N A 63 HIS CA A 63 HIS C 1.0 -96.0 -36.0 PHI 33 33 A 66 LEU C A 67 VAL N A 67 VAL CA A 67 VAL C 1.0 -150.0 -94.0 PHI 34 34 A 67 VAL C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -166.0 -78.0 PHI 35 35 A 68 LEU C A 69 ARG N A 69 ARG CA A 69 ARG C 1.0 -130.0 -86.0 PHI 36 36 A 69 ARG C A 70 THR N A 70 THR CA A 70 THR C 1.0 -150.0 -46.0 PHI 37 37 A 70 THR C A 71 HIS N A 71 HIS CA A 71 HIS C 1.0 -107.0 -31.0 PHI 38 38 A 74 ALA C A 75 ARG N A 75 ARG CA A 75 ARG C 1.0 -173.0 -61.0 PHI 39 39 A 75 ARG C A 76 TYR N A 76 TYR CA A 76 TYR C 1.0 -158.0 -86.0 PHI 40 40 A 76 TYR C A 77 SER N A 77 SER CA A 77 SER C 1.0 -170.0 -82.0 PHI 41 41 A 77 SER C A 78 LEU N A 78 LEU CA A 78 LEU C 1.0 -102.0 -58.0 PHI 42 42 A 79 THR C A 80 PRO N A 80 PRO CA A 80 PRO C 1.0 -67.0 -47.0 PHI 43 43 A 80 PRO C A 81 GLU N A 81 GLU CA A 81 GLU C 1.0 -72.0 -52.0 PHI 44 44 A 81 GLU C A 82 GLY N A 82 GLY CA A 82 GLY C 1.0 -84.0 -48.0 PHI 45 45 A 82 GLY C A 83 LEU N A 83 LEU CA A 83 LEU C 1.0 -75.0 -47.0 PHI 46 46 A 83 LEU C A 84 GLU N A 84 GLU CA A 84 GLU C 1.0 -78.0 -54.0 PHI 47 47 A 84 GLU C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -80.0 -48.0 PHI 48 48 A 85 LEU C A 86 ALA N A 86 ALA CA A 86 ALA C 1.0 -76.0 -52.0 PHI 49 49 A 86 ALA C A 87 GLN N A 87 GLN CA A 87 GLN C 1.0 -73.0 -57.0 PHI 50 50 A 87 GLN C A 88 LYS N A 88 LYS CA A 88 LYS C 1.0 -72.0 -60.0 PHI 51 51 A 88 LYS C A 89 LEU N A 89 LEU CA A 89 LEU C 1.0 -79.0 -51.0 PHI 52 52 A 89 LEU C A 90 ALA N A 90 ALA CA A 90 ALA C 1.0 -77.0 -53.0 PHI 53 53 A 90 ALA C A 91 GLU N A 91 GLU CA A 91 GLU C 1.0 -78.0 -54.0 PHI 54 54 A 91 GLU C A 92 SER N A 92 SER CA A 92 SER C 1.0 -76.0 -52.0 PHI 55 55 A 92 SER C A 93 GLU N A 93 GLU CA A 93 GLU C 1.0 -97.0 -69.0 PHI 56 56 A 10 GLY N A 10 GLY CA A 10 GLY C A 11 ALA N 1.0 -60.0 -20.0 PSI 57 57 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 ARG N 1.0 -50.0 -30.0 PSI 58 58 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 VAL N 1.0 -56.0 -32.0 PSI 59 59 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 ILE N 1.0 -57.0 -33.0 PSI 60 60 A 14 ILE N A 14 ILE CA A 14 ILE C A 15 LEU N 1.0 -53.0 -37.0 PSI 61 61 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 LEU N 1.0 -55.0 -27.0 PSI 62 62 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 VAL N 1.0 -54.0 -30.0 PSI 63 63 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 LEU N 1.0 -56.0 -28.0 PSI 64 64 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 TYR N 1.0 -49.0 -29.0 PSI 65 65 A 19 TYR N A 19 TYR CA A 19 TYR C A 20 ARG N 1.0 -58.0 -30.0 PSI 66 66 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 GLU N 1.0 -56.0 -24.0 PSI 67 67 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 HIS N 1.0 -47.0 -31.0 PSI 68 68 A 22 HIS N A 22 HIS CA A 22 HIS C A 23 LEU N 1.0 -52.0 -32.0 PSI 69 69 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 ASN N 1.0 -35.0 9.0 PSI 70 70 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 THR N 1.0 112.0 176.0 PSI 71 71 A 32 THR N A 32 THR CA A 32 THR C A 33 LYS N 1.0 145.0 181.0 PSI 72 72 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 GLU N 1.0 -47.0 -23.0 PSI 73 73 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 GLU N 1.0 -55.0 -31.0 PSI 74 74 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 LEU N 1.0 -56.0 -28.0 PSI 75 75 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 LEU N 1.0 -52.0 -32.0 PSI 76 76 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 GLN N 1.0 -52.0 -28.0 PSI 77 77 A 38 GLN N A 38 GLN CA A 38 GLN C A 39 ARG N 1.0 -51.0 -31.0 PSI 78 78 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 CYS N 1.0 -53.0 -37.0 PSI 79 79 A 40 CYS N A 40 CYS CA A 40 CYS C A 41 ALA N 1.0 -53.0 -33.0 PSI 80 80 A 41 ALA N A 41 ALA CA A 41 ALA C A 42 GLN N 1.0 -68.0 0.0 PSI 81 81 A 42 GLN N A 42 GLN CA A 42 GLN C A 43 LYS N 1.0 -54.0 6.0 PSI 82 82 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 ARG N 1.0 -58.0 -26.0 PSI 83 83 A 59 ARG N A 59 ARG CA A 59 ARG C A 60 SER N 1.0 -55.0 -27.0 PSI 84 84 A 60 SER N A 60 SER CA A 60 SER C A 61 LEU N 1.0 -51.0 -31.0 PSI 85 85 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 LEU N 1.0 -65.0 -17.0 PSI 86 86 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 HIS N 1.0 -55.0 -27.0 PSI 87 87 A 63 HIS N A 63 HIS CA A 63 HIS C A 64 ARG N 1.0 -75.0 5.0 PSI 88 88 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 LEU N 1.0 119.0 171.0 PSI 89 89 A 68 LEU N A 68 LEU CA A 68 LEU C A 69 ARG N 1.0 105.0 157.0 PSI 90 90 A 69 ARG N A 69 ARG CA A 69 ARG C A 70 THR N 1.0 115.0 151.0 PSI 91 91 A 70 THR N A 70 THR CA A 70 THR C A 71 HIS N 1.0 148.0 180.0 PSI 92 92 A 71 HIS N A 71 HIS CA A 71 HIS C A 72 GLN N 1.0 -49.0 -17.0 PSI 93 93 A 75 ARG N A 75 ARG CA A 75 ARG C A 76 TYR N 1.0 133.0 173.0 PSI 94 94 A 76 TYR N A 76 TYR CA A 76 TYR C A 77 SER N 1.0 122.0 162.0 PSI 95 95 A 77 SER N A 77 SER CA A 77 SER C A 78 LEU N 1.0 129.0 181.0 PSI 96 96 A 78 LEU N A 78 LEU CA A 78 LEU C A 79 THR N 1.0 106.0 182.0 PSI 97 97 A 80 PRO N A 80 PRO CA A 80 PRO C A 81 GLU N 1.0 -55.0 -23.0 PSI 98 98 A 81 GLU N A 81 GLU CA A 81 GLU C A 82 GLY N 1.0 -53.0 -33.0 PSI 99 99 A 82 GLY N A 82 GLY CA A 82 GLY C A 83 LEU N 1.0 -64.0 -24.0 PSI 100 100 A 83 LEU N A 83 LEU CA A 83 LEU C A 84 GLU N 1.0 -53.0 -29.0 PSI 101 101 A 84 GLU N A 84 GLU CA A 84 GLU C A 85 LEU N 1.0 -57.0 -17.0 PSI 102 102 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 ALA N 1.0 -50.0 -34.0 PSI 103 103 A 86 ALA N A 86 ALA CA A 86 ALA C A 87 GLN N 1.0 -51.0 -27.0 PSI 104 104 A 87 GLN N A 87 GLN CA A 87 GLN C A 88 LYS N 1.0 -54.0 -30.0 PSI 105 105 A 88 LYS N A 88 LYS CA A 88 LYS C A 89 LEU N 1.0 -52.0 -24.0 PSI 106 106 A 89 LEU N A 89 LEU CA A 89 LEU C A 90 ALA N 1.0 -56.0 -24.0 PSI 107 107 A 90 ALA N A 90 ALA CA A 90 ALA C A 91 GLU N 1.0 -45.0 -29.0 PSI 108 108 A 91 GLU N A 91 GLU CA A 91 GLU C A 92 SER N 1.0 -48.0 -36.0 PSI 109 109 A 92 SER N A 92 SER CA A 92 SER C A 93 GLU N 1.0 -52.0 -28.0 PSI 110 110 A 93 GLU N A 93 GLU CA A 93 GLU C A 94 GLY N 1.0 -31.0 17.0 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_6 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_6 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 4 TRP N A 4 TRP H 1.0 . . . 2 2 A 6 ALA N A 6 ALA H 1.0 . . . 3 3 A 11 ALA N A 11 ALA H 1.0 . . . 4 4 A 12 ARG N A 12 ARG H 1.0 . . . 5 5 A 13 VAL N A 13 VAL H 1.0 . . . 6 6 A 14 ILE N A 14 ILE H 1.0 . . . 7 7 A 15 LEU N A 15 LEU H 1.0 . . . 8 8 A 16 LEU N A 16 LEU H 1.0 . . . 9 9 A 17 VAL N A 17 VAL H 1.0 . . . 10 10 A 18 LEU N A 18 LEU H 1.0 . . . 11 11 A 19 TYR N A 19 TYR H 1.0 . . . 12 12 A 20 ARG N A 20 ARG H 1.0 . . . 13 13 A 21 GLU N A 21 GLU H 1.0 . . . 14 14 A 22 HIS N A 22 HIS H 1.0 . . . 15 15 A 23 LEU N A 23 LEU H 1.0 . . . 16 16 A 24 ASN N A 24 ASN H 1.0 . . . 17 17 A 26 ASN N A 26 ASN H 1.0 . . . 18 18 A 27 GLY N A 27 GLY H 1.0 . . . 19 19 A 28 HIS N A 28 HIS H 1.0 . . . 20 20 A 30 PHE N A 30 PHE H 1.0 . . . 21 21 A 31 LEU N A 31 LEU H 1.0 . . . 22 22 A 32 THR N A 32 THR H 1.0 . . . 23 23 A 33 LYS N A 33 LYS H 1.0 . . . 24 24 A 34 GLU N A 34 GLU H 1.0 . . . 25 25 A 35 GLU N A 35 GLU H 1.0 . . . 26 26 A 36 LEU N A 36 LEU H 1.0 . . . 27 27 A 37 LEU N A 37 LEU H 1.0 . . . 28 28 A 38 GLN N A 38 GLN H 1.0 . . . 29 29 A 39 ARG N A 39 ARG H 1.0 . . . 30 30 A 40 CYS N A 40 CYS H 1.0 . . . 31 31 A 41 ALA N A 41 ALA H 1.0 . . . 32 32 A 42 GLN N A 42 GLN H 1.0 . . . 33 33 A 46 ARG N A 46 ARG H 1.0 . . . 34 34 A 48 ALA N A 48 ALA H 1.0 . . . 35 35 A 59 ARG N A 59 ARG H 1.0 . . . 36 36 A 60 SER N A 60 SER H 1.0 . . . 37 37 A 61 LEU N A 61 LEU H 1.0 . . . 38 38 A 62 LEU N A 62 LEU H 1.0 . . . 39 39 A 63 HIS N A 63 HIS H 1.0 . . . 40 40 A 64 ARG N A 64 ARG H 1.0 . . . 41 41 A 65 ASN N A 65 ASN H 1.0 . . . 42 42 A 66 LEU N A 66 LEU H 1.0 . . . 43 43 A 67 VAL N A 67 VAL H 1.0 . . . 44 44 A 68 LEU N A 68 LEU H 1.0 . . . 45 45 A 69 ARG N A 69 ARG H 1.0 . . . 46 46 A 70 THR N A 70 THR H 1.0 . . . 47 47 A 71 HIS N A 71 HIS H 1.0 . . . 48 48 A 72 GLN N A 72 GLN H 1.0 . . . 49 49 A 74 ALA N A 74 ALA H 1.0 . . . 50 50 A 75 ARG N A 75 ARG H 1.0 . . . 51 51 A 76 TYR N A 76 TYR H 1.0 . . . 52 52 A 77 SER N A 77 SER H 1.0 . . . 53 53 A 78 LEU N A 78 LEU H 1.0 . . . 54 54 A 79 THR N A 79 THR H 1.0 . . . 55 55 A 81 GLU N A 81 GLU H 1.0 . . . 56 56 A 82 GLY N A 82 GLY H 1.0 . . . 57 57 A 83 LEU N A 83 LEU H 1.0 . . . 58 58 A 84 GLU N A 84 GLU H 1.0 . . . 59 59 A 85 LEU N A 85 LEU H 1.0 . . . 60 60 A 86 ALA N A 86 ALA H 1.0 . . . 61 61 A 87 GLN N A 87 GLN H 1.0 . . . 62 62 A 88 LYS N A 88 LYS H 1.0 . . . 63 63 A 89 LEU N A 89 LEU H 1.0 . . . 64 64 A 90 ALA N A 90 ALA H 1.0 . . . 65 65 A 91 GLU N A 91 GLU H 1.0 . . . 66 66 A 92 SER N A 92 SER H 1.0 . . . 67 67 A 93 GLU N A 93 GLU H 1.0 . . . 68 68 A 94 GLY N A 94 GLY H 1.0 . . . 69 69 A 95 LEU N A 95 LEU H 1.0 . . . 70 70 A 96 SER N A 96 SER H 1.0 . . . 71 71 A 97 LEU N A 97 LEU H 1.0 . . . stop_ save_