data_nef_c15281_2jqn save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2o0q stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 THR middle . . 3 A 3 LEU middle . . 4 A 4 ILE middle . . 5 A 5 TYR middle . . 6 A 6 LYS middle . . 7 A 7 ILE middle . . 8 A 8 LEU middle . . 9 A 9 SER middle . . 10 A 10 ARG middle . . 11 A 11 ALA middle . . 12 A 12 GLU middle . . 13 A 13 TRP middle . . 14 A 14 ASP middle . . 15 A 15 ALA middle . . 16 A 16 ALA middle . . 17 A 17 LYS middle . . 18 A 18 ALA middle . . 19 A 19 GLN middle . . 20 A 20 GLY middle . false 21 A 21 ARG middle . . 22 A 22 PHE middle . . 23 A 23 GLU middle . . 24 A 24 GLY middle . false 25 A 25 SER middle . . 26 A 26 ALA middle . . 27 A 27 VAL middle . . 28 A 28 ASP middle . . 29 A 29 LEU middle . . 30 A 30 ALA middle . . 31 A 31 ASP middle . . 32 A 32 GLY middle . false 33 A 33 PHE middle . . 34 A 34 ILE middle . . 35 A 35 HIS middle . . 36 A 36 LEU middle . . 37 A 37 SER middle . . 38 A 38 ALA middle . . 39 A 39 GLY middle . false 40 A 40 GLU middle . . 41 A 41 GLN middle . . 42 A 42 ALA middle . . 43 A 43 GLN middle . . 44 A 44 GLU middle . . 45 A 45 THR middle . . 46 A 46 ALA middle . . 47 A 47 ALA middle . . 48 A 48 LYS middle . . 49 A 49 TRP middle . . 50 A 50 PHE middle . . 51 A 51 ARG middle . . 52 A 52 GLY middle . false 53 A 53 GLN middle . . 54 A 54 ALA middle . . 55 A 55 ASN middle . . 56 A 56 LEU middle . . 57 A 57 VAL middle . . 58 A 58 LEU middle . . 59 A 59 LEU middle . . 60 A 60 ALA middle . . 61 A 61 VAL middle . . 62 A 62 GLU middle . . 63 A 63 ALA middle . . 64 A 64 GLU middle . . 65 A 65 PRO middle . false 66 A 66 LEU middle . . 67 A 67 GLY middle . false 68 A 68 GLU middle . . 69 A 69 ASP middle . . 70 A 70 LEU middle . . 71 A 71 LYS middle . . 72 A 72 TRP middle . . 73 A 73 GLU middle . . 74 A 74 ALA middle . . 75 A 75 SER middle . . 76 A 76 ARG middle . . 77 A 77 GLY middle . false 78 A 78 GLY middle . false 79 A 79 ALA middle . . 80 A 80 ARG middle . . 81 A 81 PHE middle . . 82 A 82 PRO middle . false 83 A 83 HIS middle . . 84 A 84 LEU middle . . 85 A 85 TYR middle . . 86 A 86 ARG middle . . 87 A 87 PRO middle . false 88 A 88 LEU middle . . 89 A 89 LEU middle . . 90 A 90 VAL middle . . 91 A 91 SER middle . . 92 A 92 GLU middle . . 93 A 93 VAL middle . . 94 A 94 THR middle . . 95 A 95 ARG middle . . 96 A 96 GLU middle . . 97 A 97 ALA middle . . 98 A 98 ASP middle . . 99 A 99 LEU middle . . 100 A 100 ASP middle . . 101 A 101 LEU middle . . 102 A 102 ASP middle . . 103 A 103 ALA middle . . 104 A 104 ASP middle . . 105 A 105 GLY middle . false 106 A 106 VAL middle . . 107 A 107 PRO middle . false 108 A 108 GLN middle . . 109 A 109 LEU middle . . 110 A 110 GLY middle . false 111 A 111 ASP middle . . 112 A 112 HIS middle . . 113 A 113 LEU middle . . 114 A 114 ALA middle . . 115 A 115 LEU middle . . 116 A 116 GLU middle . . 117 A 117 HIS middle . . 118 A 118 HIS middle . . 119 A 119 HIS middle . . 120 A 120 HIS middle . . 121 A 121 HIS middle . . 122 A 122 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HBy H 1 2.652 0.02 A 1 MET HBx H 1 2.574 0.02 A 1 MET HE% H 1 2.062 0.02 A 1 MET HGy H 1 2.163 0.02 A 1 MET HGx H 1 2.132 0.02 A 1 MET CA C 13 55.065 0.15 A 1 MET CB C 13 31.572 0.15 A 1 MET CE C 13 17.175 0.15 A 1 MET CG C 13 33.129 0.15 A 2 THR HA H 1 3.833 0.02 A 2 THR HB H 1 4.294 0.02 A 2 THR HG2% H 1 1.377 0.02 A 2 THR C C 13 170.665 0.15 A 2 THR CA C 13 62.154 0.15 A 2 THR CB C 13 69.580 0.15 A 2 THR CG2 C 13 20.909 0.15 A 3 LEU H H 1 9.068 0.02 A 3 LEU HA H 1 4.887 0.02 A 3 LEU HBy H 1 1.767 0.02 A 3 LEU HBx H 1 0.762 0.02 A 3 LEU HD1% H 1 0.840 0.02 A 3 LEU HD2% H 1 0.619 0.02 A 3 LEU HG H 1 1.619 0.02 A 3 LEU C C 13 175.859 0.15 A 3 LEU CA C 13 54.426 0.15 A 3 LEU CB C 13 43.222 0.15 A 3 LEU CD1 C 13 25.928 0.15 A 3 LEU CD2 C 13 23.342 0.15 A 3 LEU CG C 13 26.616 0.15 A 3 LEU N N 15 129.030 0.15 A 4 ILE H H 1 8.897 0.02 A 4 ILE HA H 1 4.753 0.02 A 4 ILE HB H 1 1.680 0.02 A 4 ILE HD1% H 1 0.555 0.02 A 4 ILE HG1x H 1 1.090 0.02 A 4 ILE HG1y H 1 1.091 0.02 A 4 ILE HG2% H 1 0.927 0.02 A 4 ILE C C 13 174.211 0.15 A 4 ILE CA C 13 59.998 0.15 A 4 ILE CB C 13 41.129 0.15 A 4 ILE CD1 C 13 15.918 0.15 A 4 ILE CG1 C 13 24.360 0.15 A 4 ILE CG2 C 13 18.723 0.15 A 4 ILE N N 15 115.702 0.15 A 5 TYR H H 1 9.050 0.02 A 5 TYR HA H 1 5.770 0.02 A 5 TYR HBy H 1 2.823 0.02 A 5 TYR HBx H 1 2.413 0.02 A 5 TYR HD1 H 1 6.852 0.02 A 5 TYR HD2 H 1 6.852 0.02 A 5 TYR HE1 H 1 6.583 0.02 A 5 TYR HE2 H 1 6.583 0.02 A 5 TYR C C 13 175.987 0.15 A 5 TYR CA C 13 57.923 0.15 A 5 TYR CB C 13 42.963 0.15 A 5 TYR CD1 C 13 132.618 0.15 A 5 TYR CD2 C 13 132.618 0.15 A 5 TYR CE1 C 13 117.633 0.15 A 5 TYR CE2 C 13 117.633 0.15 A 5 TYR N N 15 114.414 0.15 A 6 LYS H H 1 8.858 0.02 A 6 LYS HA H 1 4.813 0.02 A 6 LYS HBy H 1 1.623 0.02 A 6 LYS HBx H 1 1.463 0.02 A 6 LYS HDy H 1 2.438 0.02 A 6 LYS HDx H 1 1.743 0.02 A 6 LYS HEy H 1 3.264 0.02 A 6 LYS HEx H 1 3.095 0.02 A 6 LYS HGy H 1 1.086 0.02 A 6 LYS HGx H 1 1.014 0.02 A 6 LYS C C 13 172.801 0.15 A 6 LYS CA C 13 52.969 0.15 A 6 LYS CB C 13 37.109 0.15 A 6 LYS CD C 13 29.490 0.15 A 6 LYS CE C 13 41.732 0.15 A 6 LYS CG C 13 24.694 0.15 A 6 LYS N N 15 121.597 0.15 A 7 ILE H H 1 8.277 0.02 A 7 ILE HA H 1 4.702 0.02 A 7 ILE HB H 1 0.918 0.02 A 7 ILE HD1% H 1 0.619 0.02 A 7 ILE HG1y H 1 1.379 0.02 A 7 ILE HG1x H 1 0.488 0.02 A 7 ILE HG2% H 1 -0.165 0.02 A 7 ILE C C 13 173.742 0.15 A 7 ILE CA C 13 60.340 0.15 A 7 ILE CB C 13 38.941 0.15 A 7 ILE CD1 C 13 14.670 0.15 A 7 ILE CG1 C 13 28.802 0.15 A 7 ILE CG2 C 13 18.147 0.15 A 7 ILE N N 15 128.212 0.15 A 8 LEU H H 1 8.627 0.02 A 8 LEU HA H 1 4.757 0.02 A 8 LEU HBy H 1 1.753 0.02 A 8 LEU HBx H 1 1.324 0.02 A 8 LEU HD1% H 1 0.144 0.02 A 8 LEU HD2% H 1 0.241 0.02 A 8 LEU HG H 1 1.681 0.02 A 8 LEU C C 13 173.661 0.15 A 8 LEU CA C 13 54.530 0.15 A 8 LEU CB C 13 43.617 0.15 A 8 LEU CD1 C 13 26.781 0.15 A 8 LEU CD2 C 13 25.495 0.15 A 8 LEU CG C 13 26.824 0.15 A 8 LEU N N 15 126.590 0.15 A 9 SER H H 1 8.546 0.02 A 9 SER HA H 1 4.765 0.02 A 9 SER HBy H 1 4.503 0.02 A 9 SER HBx H 1 4.151 0.02 A 9 SER C C 13 175.160 0.15 A 9 SER CA C 13 58.520 0.15 A 9 SER CB C 13 65.227 0.15 A 9 SER N N 15 115.543 0.15 A 10 ARG H H 1 9.080 0.02 A 10 ARG HA H 1 4.037 0.02 A 10 ARG HBy H 1 2.079 0.02 A 10 ARG HBx H 1 1.932 0.02 A 10 ARG HDy H 1 3.366 0.02 A 10 ARG HDx H 1 3.265 0.02 A 10 ARG HE H 1 7.334 0.02 A 10 ARG HGy H 1 1.836 0.02 A 10 ARG HGx H 1 1.655 0.02 A 10 ARG C C 13 177.847 0.15 A 10 ARG CA C 13 59.210 0.15 A 10 ARG CB C 13 28.776 0.15 A 10 ARG CD C 13 42.632 0.15 A 10 ARG CG C 13 25.745 0.15 A 10 ARG N N 15 123.688 0.15 A 10 ARG NE N 15 83.512 0.15 A 11 ALA H H 1 8.753 0.02 A 11 ALA HA H 1 4.248 0.02 A 11 ALA HB% H 1 1.488 0.02 A 11 ALA C C 13 181.848 0.15 A 11 ALA CA C 13 55.483 0.15 A 11 ALA CB C 13 18.209 0.15 A 11 ALA N N 15 119.698 0.15 A 12 GLU H H 1 7.957 0.02 A 12 GLU HA H 1 4.183 0.02 A 12 GLU HBy H 1 2.466 0.02 A 12 GLU HBx H 1 2.173 0.02 A 12 GLU HGy H 1 2.479 0.02 A 12 GLU HGx H 1 2.434 0.02 A 12 GLU C C 13 179.576 0.15 A 12 GLU CA C 13 59.103 0.15 A 12 GLU CB C 13 31.077 0.15 A 12 GLU CG C 13 37.995 0.15 A 12 GLU N N 15 118.210 0.15 A 13 TRP H H 1 8.585 0.02 A 13 TRP HA H 1 4.937 0.02 A 13 TRP HBy H 1 3.195 0.02 A 13 TRP HBx H 1 2.955 0.02 A 13 TRP HD1 H 1 7.029 0.02 A 13 TRP HE1 H 1 10.406 0.02 A 13 TRP HE3 H 1 7.137 0.02 A 13 TRP HH2 H 1 6.924 0.02 A 13 TRP HZ2 H 1 7.336 0.02 A 13 TRP HZ3 H 1 6.474 0.02 A 13 TRP C C 13 176.827 0.15 A 13 TRP CA C 13 57.845 0.15 A 13 TRP CB C 13 31.010 0.15 A 13 TRP CD1 C 13 126.972 0.15 A 13 TRP CE3 C 13 122.786 0.15 A 13 TRP CH2 C 13 124.353 0.15 A 13 TRP CZ2 C 13 114.514 0.15 A 13 TRP CZ3 C 13 119.949 0.15 A 13 TRP N N 15 123.646 0.15 A 13 TRP NE1 N 15 129.669 0.15 A 14 ASP H H 1 9.260 0.02 A 14 ASP HA H 1 4.048 0.02 A 14 ASP HBy H 1 2.657 0.02 A 14 ASP HBx H 1 2.479 0.02 A 14 ASP C C 13 180.120 0.15 A 14 ASP CA C 13 57.767 0.15 A 14 ASP CB C 13 39.467 0.15 A 14 ASP N N 15 120.253 0.15 A 15 ALA H H 1 7.599 0.02 A 15 ALA HA H 1 4.163 0.02 A 15 ALA HB% H 1 1.540 0.02 A 15 ALA C C 13 180.115 0.15 A 15 ALA CA C 13 55.016 0.15 A 15 ALA CB C 13 17.871 0.15 A 15 ALA N N 15 122.164 0.15 A 16 ALA H H 1 7.944 0.02 A 16 ALA HA H 1 4.334 0.02 A 16 ALA HB% H 1 1.585 0.02 A 16 ALA C C 13 180.101 0.15 A 16 ALA CA C 13 54.659 0.15 A 16 ALA CB C 13 19.107 0.15 A 16 ALA N N 15 122.526 0.15 A 17 LYS H H 1 8.317 0.02 A 17 LYS HA H 1 3.462 0.02 A 17 LYS HBy H 1 1.387 0.02 A 17 LYS HBx H 1 1.353 0.02 A 17 LYS HDy H 1 1.233 0.02 A 17 LYS HDx H 1 1.197 0.02 A 17 LYS HEy H 1 2.515 0.02 A 17 LYS HEx H 1 2.327 0.02 A 17 LYS HGy H 1 0.439 0.02 A 17 LYS HGx H 1 0.234 0.02 A 17 LYS C C 13 179.126 0.15 A 17 LYS CA C 13 60.077 0.15 A 17 LYS CB C 13 31.431 0.15 A 17 LYS CD C 13 29.171 0.15 A 17 LYS CE C 13 41.493 0.15 A 17 LYS CG C 13 25.304 0.15 A 17 LYS N N 15 117.572 0.15 A 18 ALA H H 1 7.296 0.02 A 18 ALA HA H 1 4.100 0.02 A 18 ALA HB% H 1 1.474 0.02 A 18 ALA C C 13 178.940 0.15 A 18 ALA CA C 13 54.513 0.15 A 18 ALA CB C 13 18.132 0.15 A 18 ALA N N 15 119.644 0.15 A 19 GLN H H 1 7.443 0.02 A 19 GLN HA H 1 4.535 0.02 A 19 GLN HBx H 1 2.256 0.02 A 19 GLN HBy H 1 2.256 0.02 A 19 GLN HE21 H 1 7.411 0.02 A 19 GLN HE22 H 1 6.959 0.02 A 19 GLN HGy H 1 2.670 0.02 A 19 GLN HGx H 1 2.515 0.02 A 19 GLN C C 13 176.607 0.15 A 19 GLN CA C 13 55.755 0.15 A 19 GLN CB C 13 30.075 0.15 A 19 GLN CD C 13 179.803 0.15 A 19 GLN CG C 13 33.449 0.15 A 19 GLN N N 15 113.538 0.15 A 19 GLN NE2 N 15 111.095 0.15 A 20 GLY H H 1 8.277 0.02 A 20 GLY HAy H 1 4.450 0.02 A 20 GLY HAx H 1 3.627 0.02 A 20 GLY C C 13 174.006 0.15 A 20 GLY CA C 13 45.567 0.15 A 20 GLY N N 15 108.233 0.15 A 21 ARG H H 1 7.786 0.02 A 21 ARG HA H 1 5.123 0.02 A 21 ARG HBy H 1 1.987 0.02 A 21 ARG HBx H 1 1.397 0.02 A 21 ARG HDy H 1 3.051 0.02 A 21 ARG HDx H 1 2.901 0.02 A 21 ARG HE H 1 7.607 0.02 A 21 ARG HGy H 1 1.493 0.02 A 21 ARG HGx H 1 1.222 0.02 A 21 ARG C C 13 171.553 0.15 A 21 ARG CA C 13 54.882 0.15 A 21 ARG CB C 13 32.114 0.15 A 21 ARG CD C 13 43.481 0.15 A 21 ARG CG C 13 25.655 0.15 A 21 ARG N N 15 116.837 0.15 A 21 ARG NE N 15 84.131 0.15 A 22 PHE H H 1 9.821 0.02 A 22 PHE HA H 1 5.185 0.02 A 22 PHE HBx H 1 3.033 0.02 A 22 PHE HBy H 1 3.033 0.02 A 22 PHE HD1 H 1 7.292 0.02 A 22 PHE HD2 H 1 7.292 0.02 A 22 PHE C C 13 173.825 0.15 A 22 PHE CA C 13 54.913 0.15 A 22 PHE CB C 13 41.568 0.15 A 22 PHE CD1 C 13 131.421 0.15 A 22 PHE CD2 C 13 131.421 0.15 A 22 PHE N N 15 121.680 0.15 A 23 GLU H H 1 9.053 0.02 A 23 GLU HA H 1 3.893 0.02 A 23 GLU HBy H 1 1.990 0.02 A 23 GLU HBx H 1 1.812 0.02 A 23 GLU HGy H 1 2.117 0.02 A 23 GLU HGx H 1 1.904 0.02 A 23 GLU C C 13 174.856 0.15 A 23 GLU CA C 13 56.781 0.15 A 23 GLU CB C 13 29.990 0.15 A 23 GLU CG C 13 37.296 0.15 A 23 GLU N N 15 125.059 0.15 A 24 GLY HAy H 1 4.212 0.02 A 24 GLY HAx H 1 3.112 0.02 A 24 GLY C C 13 173.311 0.15 A 24 GLY CA C 13 45.104 0.15 A 25 SER H H 1 9.877 0.02 A 25 SER HA H 1 4.884 0.02 A 25 SER HBx H 1 4.324 0.02 A 25 SER HBy H 1 4.324 0.02 A 25 SER C C 13 173.788 0.15 A 25 SER CA C 13 57.549 0.15 A 25 SER CB C 13 65.383 0.15 A 25 SER N N 15 121.073 0.15 A 26 ALA H H 1 9.097 0.02 A 26 ALA HA H 1 3.964 0.02 A 26 ALA HB% H 1 1.443 0.02 A 26 ALA C C 13 181.102 0.15 A 26 ALA CA C 13 56.670 0.15 A 26 ALA CB C 13 17.927 0.15 A 26 ALA N N 15 123.398 0.15 A 27 VAL H H 1 7.928 0.02 A 27 VAL HA H 1 3.593 0.02 A 27 VAL HB H 1 1.590 0.02 A 27 VAL HG1% H 1 0.429 0.02 A 27 VAL HG2% H 1 0.669 0.02 A 27 VAL C C 13 176.628 0.15 A 27 VAL CA C 13 65.257 0.15 A 27 VAL CB C 13 31.688 0.15 A 27 VAL CG1 C 13 20.439 0.15 A 27 VAL CG2 C 13 21.878 0.15 A 27 VAL N N 15 117.697 0.15 A 28 ASP H H 1 6.927 0.02 A 28 ASP HA H 1 4.512 0.02 A 28 ASP HBy H 1 2.925 0.02 A 28 ASP HBx H 1 2.658 0.02 A 28 ASP C C 13 178.402 0.15 A 28 ASP CA C 13 56.586 0.15 A 28 ASP CB C 13 41.317 0.15 A 28 ASP N N 15 121.516 0.15 A 29 LEU H H 1 8.309 0.02 A 29 LEU HA H 1 3.764 0.02 A 29 LEU HBy H 1 1.597 0.02 A 29 LEU HBx H 1 1.283 0.02 A 29 LEU HDx% H 1 0.627 0.02 A 29 LEU HDy% H 1 0.565 0.02 A 29 LEU HG H 1 1.391 0.02 A 29 LEU C C 13 180.093 0.15 A 29 LEU CA C 13 57.091 0.15 A 29 LEU CB C 13 41.418 0.15 A 29 LEU CDy C 13 25.153 0.15 A 29 LEU CDx C 13 22.333 0.15 A 29 LEU CG C 13 26.923 0.15 A 29 LEU N N 15 118.648 0.15 A 30 ALA H H 1 7.458 0.02 A 30 ALA HA H 1 4.000 0.02 A 30 ALA HB% H 1 1.356 0.02 A 30 ALA C C 13 179.371 0.15 A 30 ALA CA C 13 54.526 0.15 A 30 ALA CB C 13 18.102 0.15 A 30 ALA N N 15 120.814 0.15 A 31 ASP H H 1 7.682 0.02 A 31 ASP HA H 1 4.410 0.02 A 31 ASP HBx H 1 1.854 0.02 A 31 ASP HBy H 1 1.854 0.02 A 31 ASP C C 13 176.610 0.15 A 31 ASP CA C 13 55.271 0.15 A 31 ASP CB C 13 40.083 0.15 A 31 ASP N N 15 117.191 0.15 A 32 GLY H H 1 7.909 0.02 A 32 GLY HAy H 1 4.090 0.02 A 32 GLY HAx H 1 3.597 0.02 A 32 GLY C C 13 173.168 0.15 A 32 GLY CA C 13 45.112 0.15 A 32 GLY N N 15 106.983 0.15 A 33 PHE H H 1 7.233 0.02 A 33 PHE HA H 1 4.212 0.02 A 33 PHE HBy H 1 1.837 0.02 A 33 PHE HBx H 1 1.454 0.02 A 33 PHE HD1 H 1 5.987 0.02 A 33 PHE HD2 H 1 5.987 0.02 A 33 PHE HE1 H 1 5.587 0.02 A 33 PHE HE2 H 1 5.587 0.02 A 33 PHE HZ H 1 6.544 0.02 A 33 PHE C C 13 171.389 0.15 A 33 PHE CA C 13 55.383 0.15 A 33 PHE CB C 13 37.177 0.15 A 33 PHE CD1 C 13 132.280 0.15 A 33 PHE CD2 C 13 132.280 0.15 A 33 PHE CE1 C 13 128.773 0.15 A 33 PHE CE2 C 13 128.773 0.15 A 33 PHE CZ C 13 127.426 0.15 A 33 PHE N N 15 115.364 0.15 A 34 ILE H H 1 8.637 0.02 A 34 ILE HA H 1 3.817 0.02 A 34 ILE HB H 1 1.874 0.02 A 34 ILE HD1% H 1 0.818 0.02 A 34 ILE HG1y H 1 1.632 0.02 A 34 ILE HG1x H 1 0.582 0.02 A 34 ILE HG2% H 1 0.901 0.02 A 34 ILE C C 13 177.018 0.15 A 34 ILE CA C 13 60.724 0.15 A 34 ILE CB C 13 39.266 0.15 A 34 ILE CD1 C 13 14.167 0.15 A 34 ILE CG1 C 13 28.859 0.15 A 34 ILE CG2 C 13 17.198 0.15 A 34 ILE N N 15 114.086 0.15 A 35 HIS H H 1 9.203 0.02 A 35 HIS HA H 1 4.448 0.02 A 35 HIS HBy H 1 3.362 0.02 A 35 HIS HBx H 1 3.163 0.02 A 35 HIS HD2 H 1 7.457 0.02 A 35 HIS C C 13 175.740 0.15 A 35 HIS CA C 13 57.757 0.15 A 35 HIS CB C 13 29.758 0.15 A 35 HIS CD2 C 13 120.404 0.15 A 35 HIS N N 15 127.988 0.15 A 36 LEU H H 1 8.454 0.02 A 36 LEU HA H 1 5.190 0.02 A 36 LEU HBy H 1 1.645 0.02 A 36 LEU HBx H 1 1.550 0.02 A 36 LEU HD1% H 1 0.726 0.02 A 36 LEU HD2% H 1 0.670 0.02 A 36 LEU HG H 1 1.612 0.02 A 36 LEU C C 13 174.813 0.15 A 36 LEU CA C 13 56.019 0.15 A 36 LEU CB C 13 44.541 0.15 A 36 LEU CD1 C 13 27.876 0.15 A 36 LEU CD2 C 13 26.016 0.15 A 36 LEU CG C 13 28.502 0.15 A 36 LEU N N 15 126.075 0.15 A 37 SER H H 1 9.128 0.02 A 37 SER HA H 1 5.277 0.02 A 37 SER HBy H 1 3.966 0.02 A 37 SER HBx H 1 3.640 0.02 A 37 SER C C 13 174.433 0.15 A 37 SER CA C 13 57.990 0.15 A 37 SER CB C 13 66.778 0.15 A 37 SER N N 15 112.795 0.15 A 38 ALA H H 1 9.665 0.02 A 38 ALA HA H 1 4.973 0.02 A 38 ALA HB% H 1 1.785 0.02 A 38 ALA C C 13 179.640 0.15 A 38 ALA CA C 13 52.303 0.15 A 38 ALA CB C 13 19.350 0.15 A 38 ALA N N 15 127.103 0.15 A 39 GLY H H 1 10.159 0.02 A 39 GLY HAy H 1 4.249 0.02 A 39 GLY HAx H 1 3.720 0.02 A 39 GLY C C 13 176.229 0.15 A 39 GLY CA C 13 49.163 0.15 A 39 GLY N N 15 112.007 0.15 A 40 GLU H H 1 9.367 0.02 A 40 GLU HA H 1 4.234 0.02 A 40 GLU HBx H 1 2.118 0.02 A 40 GLU HBy H 1 2.118 0.02 A 40 GLU HGx H 1 2.347 0.02 A 40 GLU HGy H 1 2.347 0.02 A 40 GLU C C 13 176.417 0.15 A 40 GLU CA C 13 58.622 0.15 A 40 GLU CB C 13 28.796 0.15 A 40 GLU CG C 13 36.464 0.15 A 40 GLU N N 15 117.243 0.15 A 41 GLN H H 1 7.503 0.02 A 41 GLN HA H 1 4.752 0.02 A 41 GLN HBx H 1 2.359 0.02 A 41 GLN HBy H 1 2.359 0.02 A 41 GLN HE21 H 1 7.001 0.02 A 41 GLN HE22 H 1 6.282 0.02 A 41 GLN HGy H 1 2.435 0.02 A 41 GLN HGx H 1 2.209 0.02 A 41 GLN C C 13 177.730 0.15 A 41 GLN CA C 13 55.626 0.15 A 41 GLN CB C 13 30.653 0.15 A 41 GLN CD C 13 178.406 0.15 A 41 GLN CG C 13 33.639 0.15 A 41 GLN N N 15 115.837 0.15 A 41 GLN NE2 N 15 110.350 0.15 A 42 ALA H H 1 7.519 0.02 A 42 ALA HA H 1 3.927 0.02 A 42 ALA HB% H 1 1.152 0.02 A 42 ALA C C 13 177.826 0.15 A 42 ALA CA C 13 56.706 0.15 A 42 ALA CB C 13 18.247 0.15 A 42 ALA N N 15 123.105 0.15 A 43 GLN H H 1 9.203 0.02 A 43 GLN HA H 1 3.942 0.02 A 43 GLN HBy H 1 2.057 0.02 A 43 GLN HBx H 1 1.970 0.02 A 43 GLN HE21 H 1 6.800 0.02 A 43 GLN HE22 H 1 8.095 0.02 A 43 GLN HGy H 1 2.398 0.02 A 43 GLN HGx H 1 2.335 0.02 A 43 GLN C C 13 177.913 0.15 A 43 GLN CA C 13 58.678 0.15 A 43 GLN CB C 13 28.815 0.15 A 43 GLN CD C 13 179.894 0.15 A 43 GLN CG C 13 33.976 0.15 A 43 GLN N N 15 118.650 0.15 A 43 GLN NE2 N 15 115.888 0.15 A 44 GLU H H 1 8.611 0.02 A 44 GLU HA H 1 4.207 0.02 A 44 GLU HBx H 1 2.142 0.02 A 44 GLU HBy H 1 2.142 0.02 A 44 GLU HGx H 1 2.350 0.02 A 44 GLU HGy H 1 2.350 0.02 A 44 GLU C C 13 179.090 0.15 A 44 GLU CA C 13 59.246 0.15 A 44 GLU CB C 13 28.850 0.15 A 44 GLU CG C 13 36.457 0.15 A 44 GLU N N 15 122.042 0.15 A 45 THR H H 1 8.292 0.02 A 45 THR HA H 1 4.123 0.02 A 45 THR HB H 1 4.505 0.02 A 45 THR HG2% H 1 1.499 0.02 A 45 THR C C 13 176.228 0.15 A 45 THR CA C 13 66.902 0.15 A 45 THR CB C 13 68.949 0.15 A 45 THR CG2 C 13 22.230 0.15 A 45 THR N N 15 117.583 0.15 A 46 ALA H H 1 8.275 0.02 A 46 ALA HA H 1 4.255 0.02 A 46 ALA HB% H 1 1.390 0.02 A 46 ALA C C 13 178.630 0.15 A 46 ALA CA C 13 55.406 0.15 A 46 ALA CB C 13 18.482 0.15 A 46 ALA N N 15 123.184 0.15 A 47 ALA H H 1 8.066 0.02 A 47 ALA HA H 1 3.953 0.02 A 47 ALA HB% H 1 1.522 0.02 A 47 ALA C C 13 178.552 0.15 A 47 ALA CA C 13 55.030 0.15 A 47 ALA CB C 13 18.899 0.15 A 47 ALA N N 15 117.129 0.15 A 48 LYS H H 1 8.089 0.02 A 48 LYS HA H 1 3.936 0.02 A 48 LYS HBy H 1 1.542 0.02 A 48 LYS HBx H 1 1.107 0.02 A 48 LYS HDy H 1 1.382 0.02 A 48 LYS HDx H 1 1.314 0.02 A 48 LYS HEy H 1 2.670 0.02 A 48 LYS HEx H 1 2.568 0.02 A 48 LYS HGy H 1 0.879 0.02 A 48 LYS HGx H 1 0.499 0.02 A 48 LYS C C 13 179.130 0.15 A 48 LYS CA C 13 58.560 0.15 A 48 LYS CB C 13 33.122 0.15 A 48 LYS CD C 13 28.949 0.15 A 48 LYS CE C 13 42.070 0.15 A 48 LYS CG C 13 24.793 0.15 A 48 LYS N N 15 115.322 0.15 A 49 TRP H H 1 7.978 0.02 A 49 TRP HA H 1 4.807 0.02 A 49 TRP HBy H 1 2.906 0.02 A 49 TRP HBx H 1 2.763 0.02 A 49 TRP HD1 H 1 7.380 0.02 A 49 TRP HE1 H 1 10.234 0.02 A 49 TRP HE3 H 1 7.633 0.02 A 49 TRP HH2 H 1 7.117 0.02 A 49 TRP HZ2 H 1 7.408 0.02 A 49 TRP HZ3 H 1 7.083 0.02 A 49 TRP C C 13 176.923 0.15 A 49 TRP CA C 13 57.157 0.15 A 49 TRP CB C 13 31.461 0.15 A 49 TRP CD1 C 13 127.545 0.15 A 49 TRP CE3 C 13 121.17 0.15 A 49 TRP CH2 C 13 124.694 0.15 A 49 TRP CZ2 C 13 114.540 0.15 A 49 TRP CZ3 C 13 121.98 0.15 A 49 TRP N N 15 114.492 0.15 A 49 TRP NE1 N 15 128.679 0.15 A 50 PHE H H 1 7.740 0.02 A 50 PHE HA H 1 4.925 0.02 A 50 PHE HBy H 1 3.676 0.02 A 50 PHE HBx H 1 2.930 0.02 A 50 PHE HD1 H 1 7.286 0.02 A 50 PHE HD2 H 1 7.286 0.02 A 50 PHE HZ H 1 7.345 0.02 A 50 PHE C C 13 174.160 0.15 A 50 PHE CA C 13 57.772 0.15 A 50 PHE CB C 13 39.610 0.15 A 50 PHE CD1 C 13 132.511 0.15 A 50 PHE CD2 C 13 132.511 0.15 A 50 PHE CZ C 13 130.44 0.15 A 50 PHE N N 15 116.540 0.15 A 51 ARG H H 1 7.389 0.02 A 51 ARG HA H 1 4.198 0.02 A 51 ARG HBy H 1 2.027 0.02 A 51 ARG HBx H 1 1.771 0.02 A 51 ARG HDx H 1 3.212 0.02 A 51 ARG HDy H 1 3.212 0.02 A 51 ARG HE H 1 7.237 0.02 A 51 ARG HGx H 1 1.545 0.02 A 51 ARG HGy H 1 1.545 0.02 A 51 ARG C C 13 179.130 0.15 A 51 ARG CA C 13 58.224 0.15 A 51 ARG CB C 13 30.032 0.15 A 51 ARG CD C 13 43.448 0.15 A 51 ARG CG C 13 27.926 0.15 A 51 ARG N N 15 119.136 0.15 A 51 ARG NE N 15 83.671 0.15 A 52 GLY H H 1 10.264 0.02 A 52 GLY HAy H 1 4.180 0.02 A 52 GLY HAx H 1 3.745 0.02 A 52 GLY C C 13 173.980 0.15 A 52 GLY CA C 13 45.517 0.15 A 52 GLY N N 15 114.192 0.15 A 53 GLN H H 1 7.597 0.02 A 53 GLN HA H 1 4.437 0.02 A 53 GLN HBy H 1 2.257 0.02 A 53 GLN HBx H 1 2.185 0.02 A 53 GLN HE21 H 1 7.888 0.02 A 53 GLN HE22 H 1 6.650 0.02 A 53 GLN HGx H 1 2.321 0.02 A 53 GLN HGy H 1 2.321 0.02 A 53 GLN C C 13 172.934 0.15 A 53 GLN CA C 13 56.280 0.15 A 53 GLN CB C 13 29.123 0.15 A 53 GLN CD C 13 179.642 0.15 A 53 GLN CG C 13 33.921 0.15 A 53 GLN N N 15 120.438 0.15 A 53 GLN NE2 N 15 112.642 0.15 A 54 ALA H H 1 8.190 0.02 A 54 ALA HA H 1 4.344 0.02 A 54 ALA HB% H 1 1.426 0.02 A 54 ALA C C 13 177.278 0.15 A 54 ALA CA C 13 51.377 0.15 A 54 ALA CB C 13 20.525 0.15 A 54 ALA N N 15 124.528 0.15 A 55 ASN H H 1 8.903 0.02 A 55 ASN HA H 1 4.598 0.02 A 55 ASN HBy H 1 3.022 0.02 A 55 ASN HBx H 1 2.973 0.02 A 55 ASN HD21 H 1 7.781 0.02 A 55 ASN HD22 H 1 7.038 0.02 A 55 ASN C C 13 174.075 0.15 A 55 ASN CA C 13 53.986 0.15 A 55 ASN CB C 13 37.654 0.15 A 55 ASN CG C 13 178.754 0.15 A 55 ASN N N 15 113.776 0.15 A 55 ASN ND2 N 15 114.312 0.15 A 56 LEU H H 1 8.543 0.02 A 56 LEU HA H 1 4.677 0.02 A 56 LEU HBy H 1 1.848 0.02 A 56 LEU HBx H 1 0.961 0.02 A 56 LEU HD1% H 1 0.865 0.02 A 56 LEU HD2% H 1 0.668 0.02 A 56 LEU HG H 1 1.542 0.02 A 56 LEU C C 13 176.806 0.15 A 56 LEU CA C 13 54.383 0.15 A 56 LEU CB C 13 45.328 0.15 A 56 LEU CD1 C 13 27.756 0.15 A 56 LEU CD2 C 13 21.881 0.15 A 56 LEU CG C 13 25.890 0.15 A 56 LEU N N 15 117.411 0.15 A 57 VAL H H 1 9.207 0.02 A 57 VAL HA H 1 4.633 0.02 A 57 VAL HB H 1 1.504 0.02 A 57 VAL HG1% H 1 0.410 0.02 A 57 VAL HG2% H 1 0.754 0.02 A 57 VAL C C 13 172.465 0.15 A 57 VAL CA C 13 59.970 0.15 A 57 VAL CB C 13 35.376 0.15 A 57 VAL CG1 C 13 21.245 0.15 A 57 VAL CG2 C 13 21.284 0.15 A 57 VAL N N 15 121.448 0.15 A 58 LEU H H 1 8.855 0.02 A 58 LEU HA H 1 4.763 0.02 A 58 LEU HBy H 1 1.583 0.02 A 58 LEU HBx H 1 0.990 0.02 A 58 LEU HD1% H 1 0.749 0.02 A 58 LEU HD2% H 1 0.589 0.02 A 58 LEU HG H 1 1.306 0.02 A 58 LEU C C 13 175.349 0.15 A 58 LEU CA C 13 52.286 0.15 A 58 LEU CB C 13 46.390 0.15 A 58 LEU CD1 C 13 24.750 0.15 A 58 LEU CD2 C 13 26.462 0.15 A 58 LEU CG C 13 26.930 0.15 A 58 LEU N N 15 124.476 0.15 A 59 LEU H H 1 9.265 0.02 A 59 LEU HA H 1 4.714 0.02 A 59 LEU HBy H 1 1.444 0.02 A 59 LEU HBx H 1 0.848 0.02 A 59 LEU HD1% H 1 -0.321 0.02 A 59 LEU HD2% H 1 -0.739 0.02 A 59 LEU HG H 1 0.844 0.02 A 59 LEU C C 13 175.262 0.15 A 59 LEU CA C 13 52.753 0.15 A 59 LEU CB C 13 42.431 0.15 A 59 LEU CD1 C 13 24.265 0.15 A 59 LEU CD2 C 13 20.074 0.15 A 59 LEU CG C 13 24.912 0.15 A 59 LEU N N 15 125.973 0.15 A 60 ALA H H 1 8.331 0.02 A 60 ALA HA H 1 4.739 0.02 A 60 ALA HB% H 1 1.235 0.02 A 60 ALA C C 13 175.631 0.15 A 60 ALA CA C 13 50.320 0.15 A 60 ALA CB C 13 21.744 0.15 A 60 ALA N N 15 124.617 0.15 A 61 VAL H H 1 8.944 0.02 A 61 VAL HA H 1 4.244 0.02 A 61 VAL HB H 1 1.648 0.02 A 61 VAL HG1% H 1 0.836 0.02 A 61 VAL HG2% H 1 0.649 0.02 A 61 VAL C C 13 174.674 0.15 A 61 VAL CA C 13 60.770 0.15 A 61 VAL CB C 13 36.636 0.15 A 61 VAL CG1 C 13 21.326 0.15 A 61 VAL CG2 C 13 21.164 0.15 A 61 VAL N N 15 124.079 0.15 A 62 GLU H H 1 8.490 0.02 A 62 GLU HA H 1 4.551 0.02 A 62 GLU HBx H 1 1.909 0.02 A 62 GLU HBy H 1 1.909 0.02 A 62 GLU HGy H 1 2.327 0.02 A 62 GLU HGx H 1 2.272 0.02 A 62 GLU C C 13 177.700 0.15 A 62 GLU CA C 13 56.879 0.15 A 62 GLU CB C 13 29.372 0.15 A 62 GLU CG C 13 35.511 0.15 A 62 GLU N N 15 127.752 0.15 A 63 ALA H H 1 9.173 0.02 A 63 ALA HA H 1 3.991 0.02 A 63 ALA HB% H 1 1.474 0.02 A 63 ALA C C 13 180.311 0.15 A 63 ALA CA C 13 54.850 0.15 A 63 ALA CB C 13 19.495 0.15 A 63 ALA N N 15 127.466 0.15 A 64 GLU H H 1 9.571 0.02 A 64 GLU HA H 1 4.146 0.02 A 64 GLU HBy H 1 2.338 0.02 A 64 GLU HBx H 1 1.980 0.02 A 64 GLU HGy H 1 2.750 0.02 A 64 GLU HGx H 1 2.389 0.02 A 64 GLU C C 13 177.102 0.15 A 64 GLU CA C 13 63.532 0.15 A 64 GLU CB C 13 25.742 0.15 A 64 GLU CG C 13 38.226 0.15 A 64 GLU N N 15 120.368 0.15 A 65 PRO HA H 1 4.440 0.02 A 65 PRO HBy H 1 2.405 0.02 A 65 PRO HBx H 1 1.856 0.02 A 65 PRO HDy H 1 3.822 0.02 A 65 PRO HDx H 1 3.467 0.02 A 65 PRO HGy H 1 1.976 0.02 A 65 PRO HGx H 1 1.905 0.02 A 65 PRO C C 13 177.332 0.15 A 65 PRO CA C 13 64.973 0.15 A 65 PRO CB C 13 31.341 0.15 A 65 PRO CD C 13 51.152 0.15 A 65 PRO CG C 13 27.934 0.15 A 66 LEU H H 1 7.412 0.02 A 66 LEU HA H 1 4.023 0.02 A 66 LEU HBy H 1 2.034 0.02 A 66 LEU HBx H 1 1.338 0.02 A 66 LEU HD1% H 1 0.908 0.02 A 66 LEU HD2% H 1 0.756 0.02 A 66 LEU HG H 1 2.046 0.02 A 66 LEU C C 13 178.533 0.15 A 66 LEU CA C 13 55.861 0.15 A 66 LEU CB C 13 41.349 0.15 A 66 LEU CD1 C 13 27.059 0.15 A 66 LEU CD2 C 13 21.923 0.15 A 66 LEU CG C 13 26.349 0.15 A 66 LEU N N 15 114.991 0.15 A 67 GLY H H 1 7.733 0.02 A 67 GLY HAy H 1 4.018 0.02 A 67 GLY HAx H 1 3.909 0.02 A 67 GLY C C 13 175.925 0.15 A 67 GLY CA C 13 46.054 0.15 A 67 GLY N N 15 104.242 0.15 A 68 GLU H H 1 8.887 0.02 A 68 GLU HA H 1 4.219 0.02 A 68 GLU HBy H 1 2.160 0.02 A 68 GLU HBx H 1 1.969 0.02 A 68 GLU HGx H 1 2.331 0.02 A 68 GLU HGy H 1 2.331 0.02 A 68 GLU C C 13 176.314 0.15 A 68 GLU CA C 13 57.652 0.15 A 68 GLU CB C 13 29.306 0.15 A 68 GLU CG C 13 36.431 0.15 A 68 GLU N N 15 121.253 0.15 A 69 ASP H H 1 7.630 0.02 A 69 ASP HA H 1 4.587 0.02 A 69 ASP HBy H 1 2.612 0.02 A 69 ASP HBx H 1 2.575 0.02 A 69 ASP C C 13 174.665 0.15 A 69 ASP CA C 13 56.078 0.15 A 69 ASP CB C 13 41.572 0.15 A 69 ASP N N 15 116.486 0.15 A 70 LEU H H 1 7.433 0.02 A 70 LEU HA H 1 4.854 0.02 A 70 LEU HBy H 1 2.118 0.02 A 70 LEU HBx H 1 0.982 0.02 A 70 LEU HD1% H 1 0.387 0.02 A 70 LEU HD2% H 1 0.833 0.02 A 70 LEU HG H 1 0.941 0.02 A 70 LEU C C 13 174.259 0.15 A 70 LEU CA C 13 53.281 0.15 A 70 LEU CB C 13 43.024 0.15 A 70 LEU CD1 C 13 23.634 0.15 A 70 LEU CD2 C 13 26.657 0.15 A 70 LEU CG C 13 27.067 0.15 A 70 LEU N N 15 121.585 0.15 A 71 LYS H H 1 9.114 0.02 A 71 LYS HA H 1 4.724 0.02 A 71 LYS HBy H 1 1.685 0.02 A 71 LYS HBx H 1 1.614 0.02 A 71 LYS HDy H 1 1.479 0.02 A 71 LYS HDx H 1 1.221 0.02 A 71 LYS HEy H 1 2.674 0.02 A 71 LYS HEx H 1 2.563 0.02 A 71 LYS HGx H 1 1.272 0.02 A 71 LYS HGy H 1 1.272 0.02 A 71 LYS C C 13 175.146 0.15 A 71 LYS CA C 13 54.024 0.15 A 71 LYS CB C 13 35.469 0.15 A 71 LYS CD C 13 28.739 0.15 A 71 LYS CE C 13 42.278 0.15 A 71 LYS CG C 13 25.046 0.15 A 71 LYS N N 15 126.179 0.15 A 72 TRP H H 1 8.981 0.02 A 72 TRP HA H 1 4.720 0.02 A 72 TRP HBy H 1 3.009 0.02 A 72 TRP HBx H 1 2.644 0.02 A 72 TRP HD1 H 1 7.191 0.02 A 72 TRP HE1 H 1 10.308 0.02 A 72 TRP HE3 H 1 6.919 0.02 A 72 TRP HH2 H 1 6.969 0.02 A 72 TRP HZ2 H 1 7.130 0.02 A 72 TRP HZ3 H 1 6.963 0.02 A 72 TRP C C 13 176.394 0.15 A 72 TRP CA C 13 55.876 0.15 A 72 TRP CB C 13 27.789 0.15 A 72 TRP CD1 C 13 127.868 0.15 A 72 TRP CE3 C 13 119.57 0.15 A 72 TRP CH2 C 13 123.464 0.15 A 72 TRP CZ2 C 13 113.986 0.15 A 72 TRP CZ3 C 13 121.30 0.15 A 72 TRP N N 15 125.904 0.15 A 72 TRP NE1 N 15 131.103 0.15 A 73 GLU H H 1 8.558 0.02 A 73 GLU HA H 1 4.762 0.02 A 73 GLU HBy H 1 2.039 0.02 A 73 GLU HBx H 1 1.614 0.02 A 73 GLU HGy H 1 2.117 0.02 A 73 GLU HGx H 1 1.948 0.02 A 73 GLU C C 13 175.459 0.15 A 73 GLU CA C 13 55.208 0.15 A 73 GLU CB C 13 32.615 0.15 A 73 GLU CG C 13 37.218 0.15 A 73 GLU N N 15 123.290 0.15 A 74 ALA H H 1 8.962 0.02 A 74 ALA HA H 1 4.738 0.02 A 74 ALA HB% H 1 1.372 0.02 A 74 ALA C C 13 177.803 0.15 A 74 ALA CA C 13 52.246 0.15 A 74 ALA CB C 13 20.070 0.15 A 74 ALA N N 15 127.315 0.15 A 75 SER H H 1 8.762 0.02 A 75 SER HA H 1 4.850 0.02 A 75 SER HBy H 1 4.275 0.02 A 75 SER HBx H 1 4.125 0.02 A 75 SER C C 13 176.080 0.15 A 75 SER CA C 13 56.954 0.15 A 75 SER CB C 13 65.244 0.15 A 75 SER N N 15 117.745 0.15 A 76 ARG HA H 1 4.193 0.02 A 76 ARG HBx H 1 1.982 0.02 A 76 ARG HBy H 1 1.982 0.02 A 76 ARG HDx H 1 3.264 0.02 A 76 ARG HDy H 1 3.264 0.02 A 76 ARG HE H 1 7.246 0.02 A 76 ARG HGx H 1 1.765 0.02 A 76 ARG HGy H 1 1.765 0.02 A 76 ARG CA C 13 58.895 0.15 A 76 ARG CB C 13 29.877 0.15 A 76 ARG CD C 13 43.296 0.15 A 76 ARG CG C 13 27.326 0.15 A 77 GLY C C 13 175.277 0.15 A 78 GLY H H 1 8.045 0.02 A 78 GLY HAy H 1 4.390 0.02 A 78 GLY HAx H 1 3.786 0.02 A 78 GLY C C 13 173.503 0.15 A 78 GLY CA C 13 45.296 0.15 A 78 GLY N N 15 110.323 0.15 A 79 ALA H H 1 7.879 0.02 A 79 ALA HA H 1 4.357 0.02 A 79 ALA HB% H 1 1.297 0.02 A 79 ALA C C 13 176.674 0.15 A 79 ALA CA C 13 52.151 0.15 A 79 ALA CB C 13 20.171 0.15 A 79 ALA N N 15 123.865 0.15 A 80 ARG H H 1 8.375 0.02 A 80 ARG HA H 1 4.629 0.02 A 80 ARG HBy H 1 1.764 0.02 A 80 ARG HBx H 1 1.529 0.02 A 80 ARG HDx H 1 3.072 0.02 A 80 ARG HDy H 1 3.072 0.02 A 80 ARG HE H 1 7.596 0.02 A 80 ARG HGy H 1 1.690 0.02 A 80 ARG HGx H 1 1.370 0.02 A 80 ARG C C 13 175.713 0.15 A 80 ARG CA C 13 55.622 0.15 A 80 ARG CB C 13 32.074 0.15 A 80 ARG CD C 13 43.521 0.15 A 80 ARG CG C 13 28.075 0.15 A 80 ARG N N 15 119.145 0.15 A 80 ARG NE N 15 83.632 0.15 A 81 PHE H H 1 8.722 0.02 A 81 PHE HA H 1 5.156 0.02 A 81 PHE HBy H 1 3.198 0.02 A 81 PHE HBx H 1 2.703 0.02 A 81 PHE HD1 H 1 7.550 0.02 A 81 PHE HD2 H 1 7.550 0.02 A 81 PHE HE1 H 1 7.370 0.02 A 81 PHE HE2 H 1 7.370 0.02 A 81 PHE HZ H 1 7.411 0.02 A 81 PHE C C 13 172.806 0.15 A 81 PHE CA C 13 54.950 0.15 A 81 PHE CB C 13 42.240 0.15 A 81 PHE CD1 C 13 132.441 0.15 A 81 PHE CD2 C 13 132.441 0.15 A 81 PHE CE1 C 13 131.496 0.15 A 81 PHE CE2 C 13 131.496 0.15 A 81 PHE CZ C 13 130.04 0.15 A 81 PHE N N 15 123.774 0.15 A 82 PRO HA H 1 3.635 0.02 A 82 PRO HBy H 1 1.025 0.02 A 82 PRO HBx H 1 -0.394 0.02 A 82 PRO HDy H 1 4.070 0.02 A 82 PRO HDx H 1 3.719 0.02 A 82 PRO HGy H 1 1.843 0.02 A 82 PRO HGx H 1 1.337 0.02 A 82 PRO C C 13 174.511 0.15 A 82 PRO CA C 13 61.347 0.15 A 82 PRO CB C 13 29.495 0.15 A 82 PRO CD C 13 49.571 0.15 A 82 PRO CG C 13 26.047 0.15 A 83 HIS H H 1 8.831 0.02 A 83 HIS HA H 1 5.330 0.02 A 83 HIS HBy H 1 3.014 0.02 A 83 HIS HBx H 1 1.841 0.02 A 83 HIS HD2 H 1 7.093 0.02 A 83 HIS C C 13 172.952 0.15 A 83 HIS CA C 13 50.700 0.15 A 83 HIS CB C 13 33.238 0.15 A 83 HIS CD2 C 13 118.50 0.15 A 83 HIS N N 15 124.483 0.15 A 84 LEU H H 1 9.063 0.02 A 84 LEU HA H 1 5.163 0.02 A 84 LEU HBy H 1 2.042 0.02 A 84 LEU HBx H 1 1.001 0.02 A 84 LEU HDx% H 1 0.849 0.02 A 84 LEU HDy% H 1 0.769 0.02 A 84 LEU HG H 1 1.930 0.02 A 84 LEU C C 13 176.699 0.15 A 84 LEU CA C 13 53.829 0.15 A 84 LEU CB C 13 45.366 0.15 A 84 LEU CDy C 13 27.038 0.15 A 84 LEU CDx C 13 23.390 0.15 A 84 LEU CG C 13 27.035 0.15 A 84 LEU N N 15 125.218 0.15 A 85 TYR H H 1 9.058 0.02 A 85 TYR HA H 1 4.508 0.02 A 85 TYR HBy H 1 3.572 0.02 A 85 TYR HBx H 1 2.877 0.02 A 85 TYR HD1 H 1 7.213 0.02 A 85 TYR HD2 H 1 7.213 0.02 A 85 TYR HE1 H 1 6.526 0.02 A 85 TYR HE2 H 1 6.526 0.02 A 85 TYR C C 13 173.624 0.15 A 85 TYR CA C 13 60.034 0.15 A 85 TYR CB C 13 36.073 0.15 A 85 TYR CD1 C 13 133.090 0.15 A 85 TYR CD2 C 13 133.090 0.15 A 85 TYR CE1 C 13 117.770 0.15 A 85 TYR CE2 C 13 117.770 0.15 A 85 TYR N N 15 131.339 0.15 A 86 ARG H H 1 7.432 0.02 A 86 ARG HA H 1 4.682 0.02 A 86 ARG HBy H 1 2.287 0.02 A 86 ARG HBx H 1 1.724 0.02 A 86 ARG HDy H 1 3.111 0.02 A 86 ARG HDx H 1 3.035 0.02 A 86 ARG HE H 1 7.583 0.02 A 86 ARG HGy H 1 1.415 0.02 A 86 ARG HGx H 1 1.221 0.02 A 86 ARG C C 13 171.917 0.15 A 86 ARG CA C 13 54.953 0.15 A 86 ARG CB C 13 28.209 0.15 A 86 ARG CD C 13 43.652 0.15 A 86 ARG CG C 13 25.124 0.15 A 86 ARG N N 15 114.399 0.15 A 86 ARG NE N 15 83.363 0.15 A 87 PRO HA H 1 4.303 0.02 A 87 PRO HBy H 1 1.747 0.02 A 87 PRO HBx H 1 1.501 0.02 A 87 PRO HDy H 1 3.742 0.02 A 87 PRO HDx H 1 3.540 0.02 A 87 PRO HGy H 1 1.988 0.02 A 87 PRO HGx H 1 1.915 0.02 A 87 PRO C C 13 175.771 0.15 A 87 PRO CA C 13 63.497 0.15 A 87 PRO CB C 13 32.253 0.15 A 87 PRO CD C 13 50.636 0.15 A 87 PRO CG C 13 27.829 0.15 A 88 LEU H H 1 8.095 0.02 A 88 LEU HA H 1 4.286 0.02 A 88 LEU HBy H 1 2.087 0.02 A 88 LEU HBx H 1 1.291 0.02 A 88 LEU HD1% H 1 0.900 0.02 A 88 LEU HD2% H 1 0.642 0.02 A 88 LEU HG H 1 1.677 0.02 A 88 LEU C C 13 175.946 0.15 A 88 LEU CA C 13 53.675 0.15 A 88 LEU CB C 13 45.548 0.15 A 88 LEU CD1 C 13 24.102 0.15 A 88 LEU CD2 C 13 26.185 0.15 A 88 LEU CG C 13 26.272 0.15 A 88 LEU N N 15 125.942 0.15 A 89 LEU H H 1 9.224 0.02 A 89 LEU HA H 1 4.561 0.02 A 89 LEU HBx H 1 1.707 0.02 A 89 LEU HBy H 1 1.707 0.02 A 89 LEU HD1% H 1 0.864 0.02 A 89 LEU HD2% H 1 0.850 0.02 A 89 LEU HG H 1 1.712 0.02 A 89 LEU C C 13 179.295 0.15 A 89 LEU CA C 13 55.212 0.15 A 89 LEU CB C 13 41.460 0.15 A 89 LEU CD1 C 13 25.624 0.15 A 89 LEU CD2 C 13 22.553 0.15 A 89 LEU CG C 13 27.145 0.15 A 89 LEU N N 15 128.295 0.15 A 90 VAL H H 1 7.665 0.02 A 90 VAL HA H 1 3.785 0.02 A 90 VAL HB H 1 1.948 0.02 A 90 VAL HG1% H 1 0.896 0.02 A 90 VAL HG2% H 1 0.715 0.02 A 90 VAL C C 13 178.510 0.15 A 90 VAL CA C 13 66.833 0.15 A 90 VAL CB C 13 31.330 0.15 A 90 VAL CG1 C 13 21.165 0.15 A 90 VAL CG2 C 13 22.449 0.15 A 90 VAL N N 15 122.696 0.15 A 91 SER H H 1 8.134 0.02 A 91 SER HA H 1 4.280 0.02 A 91 SER HBy H 1 4.083 0.02 A 91 SER HBx H 1 3.828 0.02 A 91 SER C C 13 175.328 0.15 A 91 SER CA C 13 59.822 0.15 A 91 SER CB C 13 62.512 0.15 A 91 SER N N 15 112.443 0.15 A 92 GLU H H 1 7.598 0.02 A 92 GLU HA H 1 4.221 0.02 A 92 GLU HBy H 1 2.549 0.02 A 92 GLU HBx H 1 2.081 0.02 A 92 GLU HGx H 1 2.258 0.02 A 92 GLU HGy H 1 2.258 0.02 A 92 GLU C C 13 175.722 0.15 A 92 GLU CA C 13 56.594 0.15 A 92 GLU CB C 13 29.511 0.15 A 92 GLU CG C 13 38.193 0.15 A 92 GLU N N 15 120.359 0.15 A 93 VAL H H 1 7.486 0.02 A 93 VAL HA H 1 4.046 0.02 A 93 VAL HB H 1 2.455 0.02 A 93 VAL HG1% H 1 0.834 0.02 A 93 VAL HG2% H 1 0.975 0.02 A 93 VAL C C 13 176.093 0.15 A 93 VAL CA C 13 63.242 0.15 A 93 VAL CB C 13 32.306 0.15 A 93 VAL CG1 C 13 22.491 0.15 A 93 VAL CG2 C 13 22.666 0.15 A 93 VAL N N 15 121.222 0.15 A 94 THR H H 1 9.003 0.02 A 94 THR HA H 1 4.264 0.02 A 94 THR HB H 1 3.969 0.02 A 94 THR HG2% H 1 1.212 0.02 A 94 THR C C 13 174.664 0.15 A 94 THR CA C 13 64.438 0.15 A 94 THR CB C 13 69.317 0.15 A 94 THR CG2 C 13 22.005 0.15 A 94 THR N N 15 124.794 0.15 A 95 ARG H H 1 7.514 0.02 A 95 ARG HA H 1 4.646 0.02 A 95 ARG HBx H 1 1.769 0.02 A 95 ARG HBy H 1 1.769 0.02 A 95 ARG HDx H 1 3.201 0.02 A 95 ARG HDy H 1 3.201 0.02 A 95 ARG HE H 1 7.409 0.02 A 95 ARG HGy H 1 1.565 0.02 A 95 ARG HGx H 1 1.490 0.02 A 95 ARG C C 13 172.989 0.15 A 95 ARG CA C 13 55.872 0.15 A 95 ARG CB C 13 33.789 0.15 A 95 ARG CD C 13 43.369 0.15 A 95 ARG CG C 13 27.594 0.15 A 95 ARG N N 15 118.660 0.15 A 95 ARG NE N 15 84.585 0.15 A 96 GLU H H 1 8.545 0.02 A 96 GLU HA H 1 5.329 0.02 A 96 GLU HBy H 1 1.690 0.02 A 96 GLU HBx H 1 1.650 0.02 A 96 GLU HGy H 1 2.183 0.02 A 96 GLU HGx H 1 2.028 0.02 A 96 GLU C C 13 174.480 0.15 A 96 GLU CA C 13 53.415 0.15 A 96 GLU CB C 13 33.592 0.15 A 96 GLU CG C 13 35.515 0.15 A 96 GLU N N 15 121.828 0.15 A 97 ALA H H 1 8.276 0.02 A 97 ALA HA H 1 4.537 0.02 A 97 ALA HB% H 1 0.854 0.02 A 97 ALA C C 13 175.233 0.15 A 97 ALA CA C 13 51.368 0.15 A 97 ALA CB C 13 22.101 0.15 A 97 ALA N N 15 123.211 0.15 A 98 ASP H H 1 8.399 0.02 A 98 ASP HA H 1 4.850 0.02 A 98 ASP HBy H 1 2.725 0.02 A 98 ASP HBx H 1 2.461 0.02 A 98 ASP C C 13 176.085 0.15 A 98 ASP CA C 13 54.824 0.15 A 98 ASP CB C 13 41.694 0.15 A 98 ASP N N 15 122.093 0.15 A 99 LEU H H 1 7.854 0.02 A 99 LEU HA H 1 4.766 0.02 A 99 LEU HBy H 1 1.692 0.02 A 99 LEU HBx H 1 1.036 0.02 A 99 LEU HD1% H 1 0.521 0.02 A 99 LEU HD2% H 1 0.622 0.02 A 99 LEU HG H 1 1.376 0.02 A 99 LEU C C 13 176.250 0.15 A 99 LEU CA C 13 53.544 0.15 A 99 LEU CB C 13 44.229 0.15 A 99 LEU CD1 C 13 25.776 0.15 A 99 LEU CD2 C 13 23.449 0.15 A 99 LEU CG C 13 25.957 0.15 A 99 LEU N N 15 120.272 0.15 A 100 ASP H H 1 9.215 0.02 A 100 ASP HA H 1 4.935 0.02 A 100 ASP HBy H 1 2.709 0.02 A 100 ASP HBx H 1 2.582 0.02 A 100 ASP C C 13 174.956 0.15 A 100 ASP CA C 13 52.684 0.15 A 100 ASP CB C 13 43.362 0.15 A 100 ASP N N 15 123.325 0.15 A 101 LEU H H 1 8.526 0.02 A 101 LEU HA H 1 4.639 0.02 A 101 LEU HBy H 1 1.812 0.02 A 101 LEU HBx H 1 1.146 0.02 A 101 LEU HD1% H 1 0.719 0.02 A 101 LEU HD2% H 1 0.653 0.02 A 101 LEU HG H 1 1.655 0.02 A 101 LEU C C 13 178.204 0.15 A 101 LEU CA C 13 53.490 0.15 A 101 LEU CB C 13 44.374 0.15 A 101 LEU CD1 C 13 24.516 0.15 A 101 LEU CD2 C 13 21.139 0.15 A 101 LEU CG C 13 26.790 0.15 A 101 LEU N N 15 118.539 0.15 A 102 ASP H H 1 8.029 0.02 A 102 ASP HA H 1 4.615 0.02 A 102 ASP HBy H 1 3.348 0.02 A 102 ASP HBx H 1 2.611 0.02 A 102 ASP C C 13 178.176 0.15 A 102 ASP CA C 13 52.297 0.15 A 102 ASP CB C 13 41.108 0.15 A 102 ASP N N 15 121.008 0.15 A 103 ALA H H 1 8.384 0.02 A 103 ALA HA H 1 4.099 0.02 A 103 ALA HB% H 1 1.417 0.02 A 103 ALA C C 13 178.527 0.15 A 103 ALA CA C 13 54.648 0.15 A 103 ALA CB C 13 18.604 0.15 A 103 ALA N N 15 120.139 0.15 A 104 ASP H H 1 8.033 0.02 A 104 ASP HA H 1 4.811 0.02 A 104 ASP HBy H 1 2.834 0.02 A 104 ASP HBx H 1 2.673 0.02 A 104 ASP C C 13 176.113 0.15 A 104 ASP CA C 13 54.077 0.15 A 104 ASP CB C 13 41.899 0.15 A 104 ASP N N 15 116.590 0.15 A 105 GLY H H 1 8.196 0.02 A 105 GLY HAy H 1 4.293 0.02 A 105 GLY HAx H 1 3.657 0.02 A 105 GLY C C 13 173.635 0.15 A 105 GLY CA C 13 45.741 0.15 A 105 GLY N N 15 107.882 0.15 A 106 VAL H H 1 8.886 0.02 A 106 VAL HA H 1 4.082 0.02 A 106 VAL HB H 1 2.304 0.02 A 106 VAL HG1% H 1 0.849 0.02 A 106 VAL HG2% H 1 0.904 0.02 A 106 VAL C C 13 175.529 0.15 A 106 VAL CA C 13 61.360 0.15 A 106 VAL CB C 13 32.373 0.15 A 106 VAL CG1 C 13 20.394 0.15 A 106 VAL CG2 C 13 22.470 0.15 A 106 VAL N N 15 125.585 0.15 A 107 PRO HA H 1 4.737 0.02 A 107 PRO HBy H 1 1.963 0.02 A 107 PRO HBx H 1 1.576 0.02 A 107 PRO HDy H 1 4.206 0.02 A 107 PRO HDx H 1 3.179 0.02 A 107 PRO HGy H 1 1.890 0.02 A 107 PRO HGx H 1 1.753 0.02 A 107 PRO C C 13 176.029 0.15 A 107 PRO CA C 13 62.674 0.15 A 107 PRO CB C 13 31.789 0.15 A 107 PRO CD C 13 51.318 0.15 A 107 PRO CG C 13 28.235 0.15 A 108 GLN H H 1 8.563 0.02 A 108 GLN HA H 1 4.498 0.02 A 108 GLN HBy H 1 2.146 0.02 A 108 GLN HBx H 1 2.058 0.02 A 108 GLN HE21 H 1 7.180 0.02 A 108 GLN HE22 H 1 6.986 0.02 A 108 GLN HGx H 1 2.429 0.02 A 108 GLN HGy H 1 2.429 0.02 A 108 GLN C C 13 176.218 0.15 A 108 GLN CA C 13 54.901 0.15 A 108 GLN CB C 13 29.514 0.15 A 108 GLN CD C 13 180.223 0.15 A 108 GLN CG C 13 33.990 0.15 A 108 GLN N N 15 122.641 0.15 A 108 GLN NE2 N 15 114.932 0.15 A 109 LEU H H 1 8.853 0.02 A 109 LEU HA H 1 4.330 0.02 A 109 LEU HBy H 1 1.574 0.02 A 109 LEU HBx H 1 1.491 0.02 A 109 LEU HD1% H 1 0.583 0.02 A 109 LEU HD2% H 1 0.519 0.02 A 109 LEU HG H 1 1.502 0.02 A 109 LEU C C 13 178.151 0.15 A 109 LEU CA C 13 56.522 0.15 A 109 LEU CB C 13 41.883 0.15 A 109 LEU CD1 C 13 26.160 0.15 A 109 LEU CD2 C 13 26.725 0.15 A 109 LEU CG C 13 29.942 0.15 A 109 LEU N N 15 125.974 0.15 A 110 GLY H H 1 8.809 0.02 A 110 GLY HAy H 1 3.952 0.02 A 110 GLY HAx H 1 3.551 0.02 A 110 GLY C C 13 176.002 0.15 A 110 GLY CA C 13 48.748 0.15 A 110 GLY N N 15 109.442 0.15 A 111 ASP H H 1 8.674 0.02 A 111 ASP HA H 1 4.317 0.02 A 111 ASP HBy H 1 2.336 0.02 A 111 ASP HBx H 1 1.946 0.02 A 111 ASP C C 13 177.159 0.15 A 111 ASP CA C 13 56.239 0.15 A 111 ASP CB C 13 39.791 0.15 A 111 ASP N N 15 119.503 0.15 A 112 HIS H H 1 7.471 0.02 A 112 HIS HA H 1 4.481 0.02 A 112 HIS HBy H 1 2.952 0.02 A 112 HIS HBx H 1 2.650 0.02 A 112 HIS HD2 H 1 6.855 0.02 A 112 HIS HE1 H 1 7.833 0.02 A 112 HIS C C 13 177.121 0.15 A 112 HIS CA C 13 56.692 0.15 A 112 HIS CB C 13 31.648 0.15 A 112 HIS CD2 C 13 118.178 0.15 A 112 HIS CE1 C 13 139.52 0.15 A 112 HIS N N 15 116.681 0.15 A 113 LEU H H 1 7.526 0.02 A 113 LEU HA H 1 4.148 0.02 A 113 LEU HBy H 1 1.594 0.02 A 113 LEU HBx H 1 1.357 0.02 A 113 LEU HD1% H 1 0.689 0.02 A 113 LEU HD2% H 1 0.117 0.02 A 113 LEU HG H 1 1.483 0.02 A 113 LEU C C 13 177.363 0.15 A 113 LEU CA C 13 55.509 0.15 A 113 LEU CB C 13 42.009 0.15 A 113 LEU CD1 C 13 25.942 0.15 A 113 LEU CD2 C 13 21.531 0.15 A 113 LEU CG C 13 26.065 0.15 A 113 LEU N N 15 118.976 0.15 A 114 ALA H H 1 7.648 0.02 A 114 ALA HA H 1 4.227 0.02 A 114 ALA HB% H 1 1.373 0.02 A 114 ALA C C 13 177.692 0.15 A 114 ALA CA C 13 52.828 0.15 A 114 ALA CB C 13 18.497 0.15 A 114 ALA N N 15 121.893 0.15 A 115 LEU H H 1 7.764 0.02 A 115 LEU HA H 1 4.146 0.02 A 115 LEU HBy H 1 1.632 0.02 A 115 LEU HBx H 1 1.487 0.02 A 115 LEU HD1% H 1 0.895 0.02 A 115 LEU HD2% H 1 0.809 0.02 A 115 LEU HG H 1 1.644 0.02 A 115 LEU C C 13 177.819 0.15 A 115 LEU CA C 13 55.771 0.15 A 115 LEU CB C 13 42.000 0.15 A 115 LEU CD1 C 13 25.072 0.15 A 115 LEU CD2 C 13 23.070 0.15 A 115 LEU CG C 13 26.714 0.15 A 115 LEU N N 15 119.576 0.15 A 116 GLU H H 1 8.095 0.02 A 116 GLU HA H 1 4.145 0.02 A 116 GLU HBx H 1 1.904 0.02 A 116 GLU HBy H 1 1.904 0.02 A 116 GLU HGy H 1 2.235 0.02 A 116 GLU HGx H 1 2.116 0.02 A 116 GLU C C 13 176.361 0.15 A 116 GLU CA C 13 56.975 0.15 A 116 GLU CB C 13 30.137 0.15 A 116 GLU CG C 13 36.209 0.15 A 116 GLU N N 15 119.657 0.15 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 2 THR HA A 2 THR HG2% 1.0 1.8 5.0 2 2 A 2 THR HA A 3 LEU H 1.0 1.8 3.5 3 3 A 2 THR HB A 63 ALA HB% 1.0 1.8 5.0 4 4 A 2 THR HG2% A 3 LEU H 1.0 1.8 5.0 5 5 A 2 THR HG2% A 72 TRP HZ2 1.0 1.8 5.0 6 6 A 3 LEU H A 3 LEU HA 1.0 1.8 5.0 7 7 A 3 LEU H A 3 LEU HBy 1.0 1.8 5.0 8 8 A 3 LEU H A 3 LEU HBx 1.0 1.8 5.0 9 9 A 3 LEU H A 3 LEU HG 1.0 1.8 5.0 10 10 A 3 LEU H A 3 LEU HD2% 1.0 1.8 5.0 11 11 A 3 LEU HA A 3 LEU HG 1.0 1.8 5.0 12 12 A 3 LEU HA A 3 LEU HD2% 1.0 1.8 5.0 13 13 A 3 LEU HA A 4 ILE H 1.0 1.8 3.5 14 14 A 3 LEU HA A 62 GLU HA 1.0 1.8 5.0 15 15 A 3 LEU HD1% A 3 LEU HBx 1.0 1.8 5.0 16 15 A 3 LEU HBy A 3 LEU HD1% 1.0 1.8 5.0 17 16 A 4 ILE H A 3 LEU HBx 1.0 1.8 5.0 18 16 A 4 ILE H A 3 LEU HBy 1.0 1.8 5.0 19 17 A 3 LEU HBy A 5 TYR HE% 1.0 1.8 5.0 20 18 A 5 TYR HE% A 3 LEU HBx 1.0 1.8 5.0 21 19 A 3 LEU HG A 5 TYR HE% 1.0 1.8 5.0 22 20 A 3 LEU HD2% A 4 ILE H 1.0 1.8 5.0 23 21 A 3 LEU HD1% A 60 ALA HB% 1.0 1.8 5.0 24 22 A 3 LEU HD2% A 60 ALA HB% 1.0 1.8 5.0 25 23 A 3 LEU HD2% A 62 GLU H 1.0 1.8 5.0 26 24 A 3 LEU HD2% A 62 GLU HA 1.0 1.8 5.0 27 25 A 3 LEU HD2% A 62 GLU HGy 1.0 1.8 5.0 28 26 A 3 LEU HD2% A 62 GLU HGx 1.0 1.8 5.0 29 27 A 3 LEU HD2% A 63 ALA H 1.0 1.8 5.0 30 28 A 4 ILE H A 4 ILE HA 1.0 1.8 5.0 31 29 A 4 ILE H A 4 ILE HB 1.0 1.8 5.0 32 30 A 4 ILE H A 4 ILE HG1x 1.0 1.8 5.0 33 30 A 4 ILE H A 4 ILE HG1y 1.0 1.8 5.0 34 31 A 4 ILE H A 4 ILE HG2% 1.0 1.8 5.0 35 32 A 4 ILE H A 4 ILE HD1% 1.0 1.8 5.0 36 33 A 4 ILE H A 62 GLU HA 1.0 1.8 5.0 37 34 A 4 ILE H A 63 ALA H 1.0 1.8 5.0 38 35 A 4 ILE HA A 4 ILE HG2% 1.0 1.8 5.0 39 36 A 4 ILE HA A 5 TYR HD% 1.0 1.8 5.0 40 37 A 4 ILE HA A 5 TYR H 1.0 1.8 3.5 41 38 A 4 ILE HA A 38 ALA HA 1.0 1.8 5.0 42 39 A 4 ILE HB A 4 ILE HD1% 1.0 1.8 5.0 43 40 A 4 ILE HB A 5 TYR HD% 1.0 1.8 5.0 44 41 A 4 ILE HB A 5 TYR H 1.0 1.8 5.0 45 42 A 5 TYR H A 4 ILE HG1x 1.0 1.8 5.0 46 42 A 4 ILE HG1y A 5 TYR H 1.0 1.8 5.0 47 43 A 36 LEU HD2% A 4 ILE HG1x 1.0 1.8 5.0 48 43 A 4 ILE HG1y A 36 LEU HD2% 1.0 1.8 5.0 49 44 A 61 VAL HB A 4 ILE HG1x 1.0 1.8 5.0 50 44 A 4 ILE HG1y A 61 VAL HB 1.0 1.8 5.0 51 45 A 61 VAL HG2% A 4 ILE HG1x 1.0 1.8 5.0 52 45 A 4 ILE HG1y A 61 VAL HG2% 1.0 1.8 5.0 53 46 A 63 ALA HB% A 4 ILE HG1x 1.0 1.8 5.0 54 46 A 63 ALA HB% A 4 ILE HG1y 1.0 1.8 5.0 55 47 A 4 ILE HG2% A 4 ILE HD1% 1.0 1.8 5.0 56 48 A 4 ILE HG2% A 5 TYR H 1.0 1.8 5.0 57 49 A 4 ILE HG2% A 38 ALA HA 1.0 1.8 5.0 58 50 A 4 ILE HG2% A 38 ALA HB% 1.0 1.8 5.0 59 51 A 63 ALA HB% A 4 ILE HG2% 1.0 1.8 5.0 60 52 A 72 TRP HZ2 A 4 ILE HG2% 1.0 1.8 5.0 61 53 A 4 ILE HG2% A 72 TRP HH2 1.0 1.8 5.0 62 54 A 4 ILE HG2% A 82 PRO HGy 1.0 1.8 5.0 63 54 A 4 ILE HG2% A 82 PRO HGx 1.0 1.8 5.0 64 55 A 4 ILE HD1% A 5 TYR H 1.0 1.8 5.0 65 56 A 4 ILE HD1% A 36 LEU HD1% 1.0 1.8 5.0 66 57 A 4 ILE HD1% A 63 ALA HA 1.0 1.8 5.0 67 58 A 63 ALA HB% A 4 ILE HD1% 1.0 1.8 5.0 68 59 A 4 ILE HD1% A 66 LEU HD1% 1.0 1.8 5.0 69 60 A 4 ILE HD1% A 70 LEU HD1% 1.0 1.8 5.0 70 61 A 4 ILE HD1% A 70 LEU HD2% 1.0 1.8 5.0 71 62 A 4 ILE HD1% A 82 PRO HBy 1.0 1.8 5.0 72 63 A 4 ILE HD1% A 82 PRO HBx 1.0 1.8 5.0 73 64 A 5 TYR HD% A 6 LYS H 1.0 1.8 5.0 74 65 A 5 TYR HD% A 38 ALA HA 1.0 1.8 5.0 75 66 A 5 TYR HD% A 39 GLY H 1.0 1.8 5.0 76 67 A 5 TYR HD% A 39 GLY HAy 1.0 1.8 5.0 77 68 A 5 TYR HD% A 39 GLY HAx 1.0 1.8 5.0 78 69 A 5 TYR HD% A 42 ALA HB% 1.0 1.8 5.0 79 70 A 5 TYR HD% A 58 LEU HG 1.0 1.8 5.0 80 71 A 5 TYR HD% A 58 LEU HD1% 1.0 1.8 5.0 81 72 A 5 TYR HD% A 58 LEU HD2% 1.0 1.8 5.0 82 73 A 5 TYR HD% A 60 ALA HA 1.0 1.8 5.0 83 74 A 60 ALA HB% A 5 TYR HD% 1.0 1.8 5.0 84 75 A 5 TYR HD% A 113 LEU HD2% 1.0 1.8 6.0 85 76 A 5 TYR HE% A 39 GLY H 1.0 1.8 5.0 86 77 A 5 TYR HE% A 39 GLY HAy 1.0 1.8 5.0 87 78 A 5 TYR HE% A 39 GLY HAx 1.0 1.8 5.0 88 79 A 5 TYR HE% A 58 LEU HD2% 1.0 1.8 5.0 89 80 A 5 TYR HE% A 60 ALA HB% 1.0 1.8 5.0 90 81 A 5 TYR HE% A 113 LEU HD2% 1.0 1.8 5.0 91 82 A 5 TYR HD% A 5 TYR H 1.0 1.8 5.0 92 83 A 5 TYR H A 5 TYR HA 1.0 1.8 5.0 93 84 A 5 TYR H A 5 TYR HBy 1.0 1.8 5.0 94 85 A 5 TYR H A 5 TYR HBx 1.0 1.8 5.0 95 86 A 5 TYR H A 36 LEU HD2% 1.0 1.8 5.0 96 87 A 5 TYR HD% A 5 TYR HA 1.0 1.8 5.0 97 88 A 6 LYS H A 5 TYR HA 1.0 1.8 3.5 98 89 A 36 LEU HD2% A 5 TYR HA 1.0 1.8 5.0 99 90 A 60 ALA HA A 5 TYR HA 1.0 1.8 5.0 100 91 A 5 TYR HA A 61 VAL H 1.0 1.8 5.0 101 92 A 5 TYR HD% A 5 TYR HBy 1.0 1.8 5.0 102 93 A 5 TYR HD% A 5 TYR HBx 1.0 1.8 5.0 103 94 A 6 LYS H A 5 TYR HBy 1.0 1.8 5.0 104 95 A 6 LYS H A 5 TYR HBx 1.0 1.8 5.0 105 96 A 6 LYS HA A 5 TYR HBy 1.0 1.8 5.0 106 96 A 5 TYR HBx A 6 LYS HA 1.0 1.8 5.0 107 97 A 42 ALA HB% A 5 TYR HBy 1.0 1.8 5.0 108 97 A 42 ALA HB% A 5 TYR HBx 1.0 1.8 5.0 109 98 A 58 LEU HD1% A 5 TYR HBy 1.0 1.8 5.0 110 99 A 58 LEU HD1% A 5 TYR HBx 1.0 1.8 5.0 111 100 A 6 LYS H A 6 LYS HA 1.0 1.8 5.0 112 101 A 6 LYS H A 6 LYS HBy 1.0 1.8 5.0 113 102 A 6 LYS H A 6 LYS HBx 1.0 1.8 5.0 114 103 A 36 LEU HD2% A 6 LYS H 1.0 1.8 5.0 115 104 A 6 LYS H A 58 LEU HD1% 1.0 1.8 5.0 116 105 A 6 LYS H A 59 LEU H 1.0 1.8 5.0 117 106 A 6 LYS HA A 6 LYS HGy 1.0 1.8 5.0 118 107 A 6 LYS HA A 6 LYS HGx 1.0 1.8 5.0 119 108 A 6 LYS HA A 6 LYS HDy 1.0 1.8 5.0 120 109 A 6 LYS HA A 6 LYS HDx 1.0 1.8 5.0 121 110 A 6 LYS HA A 7 ILE H 1.0 1.8 3.5 122 111 A 6 LYS HA A 36 LEU HA 1.0 1.8 5.0 123 112 A 36 LEU HD2% A 6 LYS HA 1.0 1.8 5.0 124 113 A 36 LEU HD2% A 6 LYS HBy 1.0 1.8 5.0 125 114 A 36 LEU HD2% A 6 LYS HBx 1.0 1.8 5.0 126 115 A 6 LYS HBy A 59 LEU HBx 1.0 1.8 5.0 127 115 A 6 LYS HBy A 59 LEU HBy 1.0 1.8 5.0 128 116 A 6 LYS HBx A 59 LEU HBx 1.0 1.8 5.0 129 116 A 6 LYS HBx A 59 LEU HBy 1.0 1.8 5.0 130 117 A 6 LYS HBy A 59 LEU HD1% 1.0 1.8 5.0 131 118 A 6 LYS HBx A 59 LEU HD1% 1.0 1.8 5.0 132 119 A 6 LYS HEx A 6 LYS HGy 1.0 1.8 5.0 133 119 A 6 LYS HGy A 6 LYS HEy 1.0 1.8 5.0 134 120 A 6 LYS HEx A 6 LYS HGx 1.0 1.8 5.0 135 120 A 6 LYS HEy A 6 LYS HGx 1.0 1.8 5.0 136 121 A 7 ILE H A 6 LYS HGy 1.0 1.8 5.0 137 122 A 7 ILE H A 6 LYS HGx 1.0 1.8 5.0 138 123 A 7 ILE HA A 6 LYS HGx 1.0 1.8 5.0 139 123 A 6 LYS HGy A 7 ILE HA 1.0 1.8 5.0 140 124 A 34 ILE HG2% A 6 LYS HGx 1.0 1.8 5.0 141 124 A 6 LYS HGy A 34 ILE HG2% 1.0 1.8 5.0 142 125 A 36 LEU HD2% A 6 LYS HGx 1.0 1.8 5.0 143 125 A 36 LEU HD2% A 6 LYS HGy 1.0 1.8 5.0 144 126 A 34 ILE HG2% A 6 LYS HDy 1.0 1.8 5.0 145 127 A 34 ILE HG2% A 6 LYS HDx 1.0 1.8 5.0 146 128 A 36 LEU HD2% A 6 LYS HDy 1.0 1.8 5.0 147 128 A 36 LEU HD2% A 6 LYS HDx 1.0 1.8 5.0 148 129 A 22 PHE HD% A 6 LYS HEy 1.0 1.8 5.0 149 130 A 6 LYS HEx A 22 PHE HD% 1.0 1.8 5.0 150 131 A 34 ILE HG2% A 6 LYS HEy 1.0 1.8 5.0 151 132 A 6 LYS HEx A 34 ILE HG2% 1.0 1.8 5.0 152 133 A 7 ILE H A 7 ILE HA 1.0 1.8 5.0 153 134 A 7 ILE H A 7 ILE HB 1.0 1.8 5.0 154 135 A 7 ILE H A 7 ILE HG1y 1.0 1.8 5.0 155 136 A 7 ILE H A 7 ILE HG1x 1.0 1.8 5.0 156 137 A 7 ILE H A 7 ILE HG2% 1.0 1.8 5.0 157 138 A 7 ILE H A 7 ILE HD1% 1.0 1.8 5.0 158 139 A 7 ILE HA A 7 ILE HG1y 1.0 1.8 5.0 159 140 A 7 ILE HA A 7 ILE HG1x 1.0 1.8 5.0 160 141 A 7 ILE HA A 7 ILE HG2% 1.0 1.8 5.0 161 142 A 7 ILE HA A 7 ILE HD1% 1.0 1.8 5.0 162 143 A 7 ILE HA A 8 LEU H 1.0 1.8 3.5 163 144 A 7 ILE HA A 58 LEU HBx 1.0 1.8 5.0 164 144 A 7 ILE HA A 58 LEU HBy 1.0 1.8 5.0 165 145 A 7 ILE HB A 7 ILE HD1% 1.0 1.8 5.0 166 146 A 7 ILE HB A 8 LEU H 1.0 1.8 5.0 167 147 A 7 ILE HB A 50 PHE HD% 1.0 1.8 5.0 168 148 A 7 ILE HG2% A 7 ILE HG1y 1.0 1.8 5.0 169 149 A 7 ILE HG2% A 7 ILE HG1x 1.0 1.8 5.0 170 150 A 8 LEU H A 7 ILE HG1x 1.0 1.8 5.0 171 150 A 8 LEU H A 7 ILE HG1y 1.0 1.8 5.0 172 151 A 7 ILE HG1y A 46 ALA HB% 1.0 1.8 5.0 173 152 A 46 ALA HB% A 7 ILE HG1x 1.0 1.8 5.0 174 153 A 58 LEU HD1% A 7 ILE HG1y 1.0 1.8 5.0 175 154 A 58 LEU HD1% A 7 ILE HG1x 1.0 1.8 5.0 176 155 A 7 ILE HG2% A 7 ILE HD1% 1.0 1.8 5.0 177 156 A 7 ILE HG2% A 8 LEU H 1.0 1.8 5.0 178 157 A 7 ILE HG2% A 8 LEU HA 1.0 1.8 5.0 179 158 A 7 ILE HG2% A 46 ALA HB% 1.0 1.8 5.0 180 159 A 7 ILE HG2% A 50 PHE HD% 1.0 1.8 5.0 181 160 A 7 ILE HG2% A 56 LEU HBx 1.0 1.8 5.0 182 160 A 7 ILE HG2% A 56 LEU HBy 1.0 1.8 5.0 183 161 A 7 ILE HG2% A 56 LEU HD1% 1.0 1.8 5.0 184 162 A 7 ILE HG2% A 56 LEU HD2% 1.0 1.8 5.0 185 163 A 7 ILE HG2% A 57 VAL H 1.0 1.8 5.0 186 164 A 7 ILE HG2% A 58 LEU HA 1.0 1.8 5.0 187 165 A 7 ILE HD1% A 45 THR HG2% 1.0 1.8 5.0 188 166 A 7 ILE HD1% A 46 ALA H 1.0 1.8 5.0 189 167 A 7 ILE HD1% A 46 ALA HA 1.0 1.8 5.0 190 168 A 7 ILE HD1% A 46 ALA HB% 1.0 1.8 5.0 191 169 A 7 ILE HD1% A 50 PHE HD% 1.0 1.8 5.0 192 170 A 7 ILE HD1% A 50 PHE HBx 1.0 1.8 5.0 193 170 A 7 ILE HD1% A 50 PHE HBy 1.0 1.8 5.0 194 171 A 8 LEU H A 8 LEU HA 1.0 1.8 5.0 195 172 A 8 LEU H A 8 LEU HBx 1.0 1.8 5.0 196 172 A 8 LEU H A 8 LEU HBy 1.0 1.8 5.0 197 173 A 8 LEU H A 8 LEU HG 1.0 1.8 5.0 198 174 A 8 LEU H A 8 LEU HD2% 1.0 1.8 5.0 199 175 A 8 LEU H A 56 LEU HD2% 1.0 1.8 5.0 200 176 A 8 LEU H A 57 VAL H 1.0 1.8 5.0 201 177 A 8 LEU H A 57 VAL HG2% 1.0 1.8 5.0 202 178 A 8 LEU H A 58 LEU HA 1.0 1.8 5.0 203 179 A 8 LEU HA A 8 LEU HD1% 1.0 1.8 5.0 204 180 A 8 LEU HA A 8 LEU HD2% 1.0 1.8 5.0 205 181 A 8 LEU HA A 9 SER H 1.0 1.8 5.0 206 182 A 8 LEU HBy A 8 LEU HD1% 1.0 1.8 5.0 207 183 A 8 LEU HD1% A 8 LEU HBx 1.0 1.8 5.0 208 184 A 8 LEU HD2% A 8 LEU HBx 1.0 1.8 5.0 209 185 A 8 LEU HBy A 9 SER H 1.0 1.8 5.0 210 186 A 9 SER H A 8 LEU HBx 1.0 1.8 5.0 211 187 A 8 LEU HG A 13 TRP H 1.0 1.8 5.0 212 188 A 8 LEU HD1% A 9 SER H 1.0 1.8 5.0 213 189 A 8 LEU HD1% A 12 GLU H 1.0 1.8 5.0 214 190 A 8 LEU HD1% A 12 GLU HBy 1.0 1.8 5.0 215 191 A 8 LEU HD1% A 12 GLU HBx 1.0 1.8 5.0 216 192 A 8 LEU HD1% A 13 TRP H 1.0 1.8 5.0 217 193 A 8 LEU HD1% A 13 TRP HA 1.0 1.8 5.0 218 194 A 8 LEU HD1% A 13 TRP HBy 1.0 1.8 5.0 219 195 A 8 LEU HD1% A 13 TRP HBx 1.0 1.8 5.0 220 196 A 8 LEU HD2% A 13 TRP HBy 1.0 1.8 5.0 221 197 A 8 LEU HD2% A 13 TRP HBx 1.0 1.8 5.0 222 198 A 8 LEU HD1% A 13 TRP HE3 1.0 1.8 5.0 223 199 A 8 LEU HD2% A 13 TRP HE3 1.0 1.8 5.0 224 200 A 22 PHE HD% A 8 LEU HD1% 1.0 1.8 5.0 225 201 A 57 VAL H A 8 LEU HD2% 1.0 1.8 5.0 226 202 A 8 LEU HD2% A 57 VAL HB 1.0 1.8 5.0 227 203 A 8 LEU HD2% A 57 VAL HG1% 1.0 1.8 5.0 228 204 A 8 LEU HD2% A 59 LEU HG 1.0 1.8 5.0 229 205 A 59 LEU HD1% A 8 LEU HD1% 1.0 1.8 5.0 230 206 A 59 LEU HD1% A 8 LEU HD2% 1.0 1.8 5.0 231 207 A 8 LEU HD2% A 59 LEU HD2% 1.0 1.8 5.0 232 208 A 9 SER H A 9 SER HA 1.0 1.8 5.0 233 209 A 9 SER H A 9 SER HBy 1.0 1.8 5.0 234 210 A 9 SER H A 9 SER HBx 1.0 1.8 5.0 235 211 A 9 SER H A 10 ARG H 1.0 1.8 5.0 236 212 A 9 SER H A 12 GLU H 1.0 1.8 5.0 237 213 A 9 SER H A 12 GLU HBy 1.0 1.8 5.0 238 214 A 9 SER H A 12 GLU HBx 1.0 1.8 5.0 239 215 A 56 LEU HD2% A 9 SER H 1.0 1.8 5.0 240 216 A 9 SER HA A 10 ARG H 1.0 1.8 3.5 241 217 A 9 SER HA A 56 LEU HA 1.0 1.8 2.9 242 218 A 56 LEU HD2% A 9 SER HA 1.0 1.8 5.0 243 219 A 57 VAL H A 9 SER HA 1.0 1.8 5.0 244 220 A 10 ARG H A 9 SER HBy 1.0 1.8 5.0 245 221 A 10 ARG H A 9 SER HBx 1.0 1.8 5.0 246 222 A 11 ALA H A 9 SER HBx 1.0 1.8 5.0 247 222 A 9 SER HBy A 11 ALA H 1.0 1.8 5.0 248 223 A 12 GLU H A 9 SER HBx 1.0 1.8 5.0 249 223 A 12 GLU H A 9 SER HBy 1.0 1.8 5.0 250 224 A 10 ARG H A 10 ARG HA 1.0 1.8 5.0 251 225 A 10 ARG H A 10 ARG HBy 1.0 1.8 5.0 252 226 A 10 ARG H A 10 ARG HBx 1.0 1.8 5.0 253 227 A 10 ARG H A 10 ARG HGy 1.0 1.8 5.0 254 227 A 10 ARG H A 10 ARG HGx 1.0 1.8 5.0 255 228 A 10 ARG H A 11 ALA H 1.0 1.8 5.0 256 229 A 12 GLU H A 10 ARG H 1.0 1.8 5.0 257 230 A 10 ARG H A 55 ASN HBx 1.0 1.8 5.0 258 230 A 10 ARG H A 55 ASN HBy 1.0 1.8 5.0 259 231 A 10 ARG HA A 10 ARG HGy 1.0 1.8 5.0 260 232 A 10 ARG HA A 10 ARG HGx 1.0 1.8 5.0 261 233 A 10 ARG HA A 10 ARG HDy 1.0 1.8 5.0 262 234 A 10 ARG HA A 10 ARG HDx 1.0 1.8 5.0 263 235 A 11 ALA H A 10 ARG HA 1.0 1.8 5.0 264 236 A 13 TRP H A 10 ARG HA 1.0 1.8 5.0 265 237 A 10 ARG HA A 13 TRP HBy 1.0 1.8 5.0 266 238 A 10 ARG HA A 13 TRP HBx 1.0 1.8 5.0 267 239 A 10 ARG HA A 13 TRP HD1 1.0 1.8 5.0 268 240 A 10 ARG HA A 14 ASP H 1.0 1.8 5.0 269 241 A 57 VAL HG2% A 10 ARG HA 1.0 1.8 5.0 270 242 A 11 ALA H A 10 ARG HBy 1.0 1.8 5.0 271 243 A 11 ALA H A 10 ARG HBx 1.0 1.8 5.0 272 244 A 10 ARG HE A 10 ARG HGy 1.0 1.8 5.0 273 244 A 10 ARG HGx A 10 ARG HE 1.0 1.8 5.0 274 245 A 13 TRP HD1 A 10 ARG HGy 1.0 1.8 5.0 275 245 A 10 ARG HGx A 13 TRP HD1 1.0 1.8 5.0 276 246 A 57 VAL HG2% A 10 ARG HGy 1.0 1.8 5.0 277 246 A 57 VAL HG2% A 10 ARG HGx 1.0 1.8 5.0 278 247 A 10 ARG HDy A 13 TRP HD1 1.0 1.8 5.0 279 248 A 10 ARG HDx A 13 TRP HD1 1.0 1.8 5.0 280 249 A 57 VAL HG2% A 10 ARG HDy 1.0 1.8 5.0 281 250 A 57 VAL HG2% A 10 ARG HDx 1.0 1.8 5.0 282 251 A 13 TRP HD1 A 10 ARG HE 1.0 1.8 5.0 283 252 A 57 VAL HG2% A 10 ARG HE 1.0 1.8 5.0 284 253 A 11 ALA H A 11 ALA HA 1.0 1.8 5.0 285 254 A 11 ALA H A 11 ALA HB% 1.0 1.8 5.0 286 255 A 12 GLU H A 11 ALA H 1.0 1.8 3.5 287 256 A 14 ASP H A 11 ALA HA 1.0 1.8 5.0 288 257 A 11 ALA HA A 14 ASP HBy 1.0 1.8 5.0 289 258 A 11 ALA HA A 14 ASP HBx 1.0 1.8 5.0 290 259 A 12 GLU H A 11 ALA HB% 1.0 1.8 5.0 291 260 A 12 GLU H A 12 GLU HA 1.0 1.8 5.0 292 261 A 12 GLU H A 12 GLU HBy 1.0 1.8 5.0 293 262 A 12 GLU H A 12 GLU HBx 1.0 1.8 5.0 294 263 A 12 GLU H A 12 GLU HGy 1.0 1.8 5.0 295 264 A 12 GLU H A 12 GLU HGx 1.0 1.8 5.0 296 265 A 13 TRP H A 12 GLU H 1.0 1.8 3.5 297 266 A 12 GLU H A 14 ASP H 1.0 1.8 5.0 298 267 A 12 GLU HA A 12 GLU HGy 1.0 1.8 5.0 299 268 A 12 GLU HA A 12 GLU HGx 1.0 1.8 5.0 300 269 A 13 TRP H A 12 GLU HA 1.0 1.8 5.0 301 270 A 12 GLU HA A 15 ALA H 1.0 1.8 5.0 302 271 A 12 GLU HA A 15 ALA HB% 1.0 1.8 5.0 303 272 A 12 GLU HA A 16 ALA H 1.0 1.8 5.0 304 273 A 13 TRP H A 12 GLU HBy 1.0 1.8 5.0 305 274 A 13 TRP H A 12 GLU HBx 1.0 1.8 5.0 306 275 A 13 TRP H A 13 TRP HA 1.0 1.8 5.0 307 276 A 13 TRP H A 13 TRP HBy 1.0 1.8 5.0 308 277 A 13 TRP H A 13 TRP HBx 1.0 1.8 5.0 309 278 A 13 TRP H A 13 TRP HD1 1.0 1.8 5.0 310 279 A 13 TRP H A 14 ASP H 1.0 1.8 3.5 311 280 A 13 TRP H A 15 ALA H 1.0 1.8 5.0 312 281 A 13 TRP H A 16 ALA H 1.0 1.8 5.0 313 282 A 57 VAL HG2% A 13 TRP H 1.0 1.8 5.0 314 283 A 13 TRP HA A 13 TRP HE3 1.0 1.8 5.0 315 284 A 13 TRP HA A 13 TRP HZ3 1.0 1.8 5.0 316 285 A 13 TRP HA A 16 ALA H 1.0 1.8 5.0 317 286 A 13 TRP HA A 16 ALA HB% 1.0 1.8 5.0 318 287 A 13 TRP HD1 A 13 TRP HBy 1.0 1.8 5.0 319 288 A 13 TRP HD1 A 13 TRP HBx 1.0 1.8 5.0 320 289 A 13 TRP HE3 A 13 TRP HBy 1.0 1.8 5.0 321 289 A 13 TRP HE3 A 13 TRP HBx 1.0 1.8 5.0 322 290 A 14 ASP H A 13 TRP HBy 1.0 1.8 5.0 323 291 A 14 ASP H A 13 TRP HBx 1.0 1.8 5.0 324 292 A 57 VAL HG2% A 13 TRP HBy 1.0 1.8 5.0 325 293 A 57 VAL HG2% A 13 TRP HBx 1.0 1.8 5.0 326 294 A 13 TRP HD1 A 17 LYS HDy 1.0 1.8 5.0 327 294 A 13 TRP HD1 A 17 LYS HDx 1.0 1.8 5.0 328 295 A 13 TRP HD1 A 17 LYS HEy 1.0 1.8 5.0 329 296 A 13 TRP HD1 A 17 LYS HEx 1.0 1.8 5.0 330 297 A 57 VAL HG1% A 13 TRP HD1 1.0 1.8 5.0 331 298 A 57 VAL HG2% A 13 TRP HD1 1.0 1.8 5.0 332 299 A 59 LEU HD2% A 13 TRP HD1 1.0 1.8 5.0 333 300 A 13 TRP HE1 A 17 LYS HDy 1.0 1.8 5.0 334 300 A 17 LYS HDx A 13 TRP HE1 1.0 1.8 5.0 335 301 A 13 TRP HE1 A 17 LYS HEy 1.0 1.8 5.0 336 301 A 13 TRP HE1 A 17 LYS HEx 1.0 1.8 5.0 337 302 A 57 VAL HG1% A 13 TRP HE1 1.0 1.8 5.0 338 303 A 57 VAL HG2% A 13 TRP HE1 1.0 1.8 5.0 339 304 A 59 LEU HD2% A 13 TRP HE1 1.0 1.8 5.0 340 305 A 13 TRP HE3 A 16 ALA HB% 1.0 1.8 5.0 341 306 A 59 LEU HD1% A 13 TRP HE3 1.0 1.8 5.0 342 307 A 13 TRP HZ2 A 17 LYS HGx 1.0 1.8 5.0 343 307 A 13 TRP HZ2 A 17 LYS HGy 1.0 1.8 5.0 344 308 A 13 TRP HZ2 A 17 LYS HDy 1.0 1.8 5.0 345 308 A 17 LYS HDx A 13 TRP HZ2 1.0 1.8 5.0 346 309 A 59 LEU HD2% A 13 TRP HZ2 1.0 1.8 5.0 347 310 A 13 TRP HZ2 A 90 VAL HG1% 1.0 1.8 5.0 348 311 A 13 TRP HZ2 A 93 VAL HB 1.0 1.8 5.0 349 312 A 13 TRP HZ2 A 93 VAL HG2% 1.0 1.8 5.0 350 313 A 13 TRP HZ2 A 96 GLU HBy 1.0 1.8 5.0 351 313 A 13 TRP HZ2 A 96 GLU HBx 1.0 1.8 5.0 352 314 A 13 TRP HZ3 A 16 ALA HB% 1.0 1.8 5.0 353 315 A 22 PHE HD% A 13 TRP HZ3 1.0 1.8 5.0 354 316 A 13 TRP HZ3 A 22 PHE HBx 1.0 1.8 5.0 355 316 A 13 TRP HZ3 A 22 PHE HBy 1.0 1.8 5.0 356 317 A 59 LEU HD1% A 13 TRP HZ3 1.0 1.8 5.0 357 318 A 13 TRP HZ3 A 90 VAL HA 1.0 1.8 5.0 358 319 A 13 TRP HZ3 A 90 VAL HG2% 1.0 1.8 5.0 359 320 A 13 TRP HZ3 A 93 VAL HG2% 1.0 1.8 5.0 360 321 A 90 VAL HA A 13 TRP HH2 1.0 1.8 5.0 361 322 A 90 VAL HG1% A 13 TRP HH2 1.0 1.8 5.0 362 323 A 90 VAL HG2% A 13 TRP HH2 1.0 1.8 5.0 363 324 A 93 VAL HB A 13 TRP HH2 1.0 1.8 5.0 364 325 A 13 TRP HH2 A 93 VAL HG1% 1.0 1.8 5.0 365 326 A 93 VAL HG2% A 13 TRP HH2 1.0 1.8 5.0 366 327 A 14 ASP H A 14 ASP HA 1.0 1.8 5.0 367 328 A 14 ASP H A 14 ASP HBy 1.0 1.8 5.0 368 329 A 14 ASP H A 14 ASP HBx 1.0 1.8 5.0 369 330 A 14 ASP H A 15 ALA H 1.0 1.8 3.5 370 331 A 14 ASP H A 15 ALA HB% 1.0 1.8 5.0 371 332 A 14 ASP H A 16 ALA H 1.0 1.8 5.0 372 333 A 15 ALA H A 14 ASP HA 1.0 1.8 5.0 373 334 A 14 ASP HA A 17 LYS H 1.0 1.8 5.0 374 335 A 14 ASP HA A 17 LYS HBx 1.0 1.8 3.5 375 335 A 14 ASP HA A 17 LYS HBy 1.0 1.8 3.5 376 336 A 14 ASP HA A 17 LYS HGx 1.0 1.8 5.0 377 336 A 17 LYS HGy A 14 ASP HA 1.0 1.8 5.0 378 337 A 14 ASP HA A 17 LYS HEy 1.0 1.8 5.0 379 338 A 17 LYS HEx A 14 ASP HA 1.0 1.8 5.0 380 339 A 14 ASP HBy A 15 ALA H 1.0 1.8 5.0 381 340 A 14 ASP HBx A 15 ALA H 1.0 1.8 5.0 382 341 A 14 ASP HBy A 15 ALA HB% 1.0 1.8 5.0 383 342 A 14 ASP HBx A 15 ALA HB% 1.0 1.8 5.0 384 343 A 15 ALA H A 15 ALA HA 1.0 1.8 5.0 385 344 A 15 ALA H A 15 ALA HB% 1.0 1.8 5.0 386 345 A 15 ALA H A 16 ALA H 1.0 1.8 3.5 387 346 A 15 ALA H A 17 LYS H 1.0 1.8 5.0 388 347 A 16 ALA H A 15 ALA HA 1.0 1.8 5.0 389 348 A 15 ALA HA A 18 ALA H 1.0 1.8 5.0 390 349 A 15 ALA HB% A 16 ALA H 1.0 1.8 5.0 391 350 A 15 ALA HB% A 19 GLN HE21 1.0 1.8 5.0 392 351 A 15 ALA HB% A 19 GLN HE22 1.0 1.8 5.0 393 352 A 16 ALA H A 16 ALA HA 1.0 1.8 5.0 394 353 A 16 ALA H A 16 ALA HB% 1.0 1.8 5.0 395 354 A 16 ALA H A 17 LYS H 1.0 1.8 3.5 396 355 A 16 ALA H A 18 ALA H 1.0 1.8 5.0 397 356 A 17 LYS H A 16 ALA HA 1.0 1.8 5.0 398 357 A 16 ALA HA A 19 GLN HBx 1.0 1.8 5.0 399 357 A 16 ALA HA A 19 GLN HBy 1.0 1.8 5.0 400 358 A 16 ALA HA A 19 GLN H 1.0 1.8 5.0 401 359 A 16 ALA HA A 19 GLN HGy 1.0 1.8 5.0 402 360 A 16 ALA HA A 19 GLN HGx 1.0 1.8 5.0 403 361 A 19 GLN HE21 A 16 ALA HA 1.0 1.8 5.0 404 362 A 16 ALA HA A 21 ARG H 1.0 1.8 5.0 405 363 A 16 ALA HB% A 17 LYS H 1.0 1.8 5.0 406 364 A 22 PHE HD% A 16 ALA HB% 1.0 1.8 5.0 407 365 A 16 ALA HB% A 22 PHE HBx 1.0 1.8 5.0 408 365 A 16 ALA HB% A 22 PHE HBy 1.0 1.8 5.0 409 366 A 16 ALA HB% A 22 PHE H 1.0 1.8 5.0 410 367 A 16 ALA HB% A 22 PHE HA 1.0 1.8 5.0 411 368 A 16 ALA HB% A 23 GLU H 1.0 1.8 5.0 412 369 A 16 ALA HB% A 90 VAL HG2% 1.0 1.8 5.0 413 370 A 17 LYS H A 17 LYS HA 1.0 1.8 3.5 414 371 A 17 LYS H A 17 LYS HBy 1.0 1.8 5.0 415 372 A 17 LYS H A 17 LYS HBx 1.0 1.8 5.0 416 373 A 17 LYS HGy A 17 LYS H 1.0 1.8 5.0 417 374 A 17 LYS H A 17 LYS HGx 1.0 1.8 5.0 418 375 A 17 LYS H A 17 LYS HEy 1.0 1.8 5.0 419 375 A 17 LYS HEx A 17 LYS H 1.0 1.8 5.0 420 376 A 17 LYS H A 18 ALA H 1.0 1.8 3.5 421 377 A 17 LYS HGy A 17 LYS HA 1.0 1.8 5.0 422 378 A 17 LYS HA A 17 LYS HGx 1.0 1.8 5.0 423 379 A 18 ALA H A 17 LYS HA 1.0 1.8 5.0 424 380 A 19 GLN H A 17 LYS HA 1.0 1.8 5.0 425 381 A 17 LYS HA A 20 GLY H 1.0 1.8 5.0 426 382 A 90 VAL HG1% A 17 LYS HA 1.0 1.8 5.0 427 383 A 90 VAL HG2% A 17 LYS HA 1.0 1.8 5.0 428 384 A 17 LYS HEx A 17 LYS HBy 1.0 1.8 5.0 429 384 A 17 LYS HBy A 17 LYS HEy 1.0 1.8 5.0 430 385 A 17 LYS HEx A 17 LYS HBx 1.0 1.8 5.0 431 385 A 17 LYS HBx A 17 LYS HEy 1.0 1.8 5.0 432 386 A 17 LYS HBy A 18 ALA H 1.0 1.8 5.0 433 387 A 18 ALA H A 17 LYS HBx 1.0 1.8 5.0 434 388 A 17 LYS HGy A 17 LYS HEy 1.0 1.8 5.0 435 389 A 17 LYS HEx A 17 LYS HGy 1.0 1.8 5.0 436 390 A 17 LYS HEy A 17 LYS HGx 1.0 1.8 5.0 437 391 A 17 LYS HEx A 17 LYS HGx 1.0 1.8 5.0 438 392 A 18 ALA H A 17 LYS HGx 1.0 1.8 5.0 439 392 A 17 LYS HGy A 18 ALA H 1.0 1.8 5.0 440 393 A 90 VAL HG1% A 17 LYS HGx 1.0 1.8 5.0 441 393 A 17 LYS HGy A 90 VAL HG1% 1.0 1.8 5.0 442 394 A 90 VAL HG2% A 17 LYS HGx 1.0 1.8 5.0 443 394 A 17 LYS HGy A 90 VAL HG2% 1.0 1.8 5.0 444 395 A 18 ALA H A 18 ALA HA 1.0 1.8 5.0 445 396 A 18 ALA H A 18 ALA HB% 1.0 1.8 5.0 446 397 A 18 ALA H A 19 GLN H 1.0 1.8 3.5 447 398 A 19 GLN H A 18 ALA HA 1.0 1.8 5.0 448 399 A 18 ALA HB% A 19 GLN HBx 1.0 1.8 5.0 449 399 A 19 GLN HBy A 18 ALA HB% 1.0 1.8 5.0 450 400 A 19 GLN H A 18 ALA HB% 1.0 1.8 5.0 451 401 A 19 GLN HGy A 18 ALA HB% 1.0 1.8 5.0 452 402 A 19 GLN HGx A 18 ALA HB% 1.0 1.8 5.0 453 403 A 20 GLY H A 18 ALA HB% 1.0 1.8 5.0 454 404 A 20 GLY H A 19 GLN HBx 1.0 1.8 5.0 455 404 A 19 GLN HBy A 20 GLY H 1.0 1.8 5.0 456 405 A 21 ARG H A 19 GLN HBx 1.0 1.8 3.5 457 405 A 19 GLN HBy A 21 ARG H 1.0 1.8 3.5 458 406 A 19 GLN HBx A 21 ARG HGy 1.0 1.8 5.0 459 406 A 19 GLN HBy A 21 ARG HGy 1.0 1.8 5.0 460 406 A 21 ARG HGx A 19 GLN HBx 1.0 1.8 5.0 461 406 A 19 GLN HBy A 21 ARG HGx 1.0 1.8 5.0 462 407 A 19 GLN H A 19 GLN HBx 1.0 1.8 3.5 463 407 A 19 GLN HBy A 19 GLN H 1.0 1.8 3.5 464 408 A 19 GLN H A 19 GLN HA 1.0 1.8 3.5 465 409 A 19 GLN H A 19 GLN HGy 1.0 1.8 5.0 466 410 A 19 GLN H A 19 GLN HGx 1.0 1.8 5.0 467 411 A 19 GLN H A 20 GLY H 1.0 1.8 3.5 468 412 A 19 GLN H A 20 GLY HAx 1.0 1.8 5.0 469 412 A 19 GLN H A 20 GLY HAy 1.0 1.8 5.0 470 413 A 19 GLN H A 21 ARG H 1.0 1.8 5.0 471 414 A 19 GLN HGy A 19 GLN HA 1.0 1.8 5.0 472 415 A 19 GLN HGx A 19 GLN HA 1.0 1.8 5.0 473 416 A 20 GLY H A 19 GLN HA 1.0 1.8 5.0 474 417 A 19 GLN HE21 A 19 GLN HGy 1.0 1.8 5.0 475 418 A 19 GLN HE22 A 19 GLN HGy 1.0 1.8 5.0 476 419 A 19 GLN HE21 A 19 GLN HGx 1.0 1.8 5.0 477 420 A 19 GLN HE22 A 19 GLN HGx 1.0 1.8 5.0 478 421 A 19 GLN HGy A 21 ARG H 1.0 1.8 5.0 479 422 A 19 GLN HGx A 21 ARG H 1.0 1.8 5.0 480 423 A 20 GLY H A 20 GLY HAy 1.0 1.8 3.5 481 424 A 20 GLY H A 20 GLY HAx 1.0 1.8 3.5 482 425 A 21 ARG H A 20 GLY H 1.0 1.8 3.5 483 426 A 90 VAL HG2% A 20 GLY H 1.0 1.8 5.0 484 427 A 21 ARG H A 20 GLY HAy 1.0 1.8 5.0 485 428 A 21 ARG H A 20 GLY HAx 1.0 1.8 5.0 486 429 A 90 VAL HG2% A 20 GLY HAy 1.0 1.8 5.0 487 430 A 90 VAL HG2% A 20 GLY HAx 1.0 1.8 5.0 488 431 A 21 ARG H A 21 ARG HA 1.0 1.8 5.0 489 432 A 21 ARG H A 21 ARG HBy 1.0 1.8 5.0 490 432 A 21 ARG H A 21 ARG HBx 1.0 1.8 5.0 491 433 A 21 ARG H A 21 ARG HGy 1.0 1.8 5.0 492 434 A 21 ARG H A 21 ARG HGx 1.0 1.8 5.0 493 435 A 21 ARG H A 21 ARG HDy 1.0 1.8 5.0 494 435 A 21 ARG H A 21 ARG HDx 1.0 1.8 5.0 495 436 A 21 ARG H A 22 PHE H 1.0 1.8 5.0 496 437 A 90 VAL HG2% A 21 ARG H 1.0 1.8 5.0 497 438 A 22 PHE H A 21 ARG HA 1.0 1.8 3.5 498 439 A 21 ARG HA A 89 LEU HBx 1.0 1.8 5.0 499 439 A 21 ARG HA A 89 LEU HBy 1.0 1.8 5.0 500 440 A 21 ARG HA A 89 LEU HA 1.0 1.8 3.5 501 441 A 21 ARG HA A 89 LEU HD2% 1.0 1.8 5.0 502 442 A 21 ARG HA A 90 VAL H 1.0 1.8 5.0 503 443 A 90 VAL HG2% A 21 ARG HA 1.0 1.8 5.0 504 444 A 21 ARG HA A 91 SER H 1.0 1.8 5.0 505 445 A 21 ARG HDx A 21 ARG HBy 1.0 1.8 5.0 506 445 A 21 ARG HBy A 21 ARG HDy 1.0 1.8 5.0 507 446 A 21 ARG HBx A 21 ARG HDx 1.0 1.8 5.0 508 446 A 21 ARG HBx A 21 ARG HDy 1.0 1.8 5.0 509 447 A 22 PHE H A 21 ARG HBy 1.0 1.8 5.0 510 448 A 22 PHE H A 21 ARG HBx 1.0 1.8 5.0 511 449 A 89 LEU HA A 21 ARG HBy 1.0 1.8 5.0 512 449 A 21 ARG HBx A 89 LEU HA 1.0 1.8 5.0 513 450 A 89 LEU HD2% A 21 ARG HBy 1.0 1.8 5.0 514 451 A 21 ARG HBx A 89 LEU HD2% 1.0 1.8 5.0 515 452 A 21 ARG HE A 21 ARG HGy 1.0 1.8 5.0 516 453 A 21 ARG HGx A 21 ARG HE 1.0 1.8 5.0 517 454 A 21 ARG HDy A 87 PRO HBy 1.0 1.8 5.0 518 454 A 21 ARG HDx A 87 PRO HBy 1.0 1.8 5.0 519 454 A 87 PRO HBx A 21 ARG HDy 1.0 1.8 5.0 520 454 A 21 ARG HDx A 87 PRO HBx 1.0 1.8 5.0 521 455 A 89 LEU HD2% A 21 ARG HDy 1.0 1.8 5.0 522 456 A 21 ARG HDx A 89 LEU HD2% 1.0 1.8 5.0 523 457 A 22 PHE HD% A 23 GLU H 1.0 1.8 5.0 524 458 A 34 ILE HG2% A 22 PHE HD% 1.0 1.8 5.0 525 459 A 22 PHE HD% A 34 ILE HD1% 1.0 1.8 5.0 526 460 A 22 PHE HD% A 88 LEU H 1.0 1.8 5.0 527 461 A 22 PHE HD% A 88 LEU HBy 1.0 1.8 5.0 528 462 A 22 PHE HD% A 88 LEU HBx 1.0 1.8 5.0 529 463 A 22 PHE HD% A 88 LEU HD2% 1.0 1.8 5.0 530 464 A 22 PHE HD% A 22 PHE HBx 1.0 1.8 5.0 531 464 A 22 PHE HD% A 22 PHE HBy 1.0 1.8 5.0 532 465 A 23 GLU H A 22 PHE HBx 1.0 1.8 5.0 533 465 A 22 PHE HBy A 23 GLU H 1.0 1.8 5.0 534 466 A 88 LEU H A 22 PHE HBx 1.0 1.8 5.0 535 466 A 22 PHE HBy A 88 LEU H 1.0 1.8 5.0 536 467 A 22 PHE HBy A 88 LEU HBy 1.0 1.8 5.0 537 467 A 88 LEU HBy A 22 PHE HBx 1.0 1.8 5.0 538 468 A 22 PHE HBx A 88 LEU HBx 1.0 1.8 5.0 539 468 A 22 PHE HBy A 88 LEU HBx 1.0 1.8 5.0 540 469 A 88 LEU HD2% A 22 PHE HBx 1.0 1.8 5.0 541 469 A 22 PHE HBy A 88 LEU HD2% 1.0 1.8 5.0 542 470 A 22 PHE HD% A 22 PHE H 1.0 1.8 5.0 543 471 A 22 PHE H A 22 PHE HBx 1.0 1.8 5.0 544 471 A 22 PHE HBy A 22 PHE H 1.0 1.8 5.0 545 472 A 22 PHE H A 22 PHE HA 1.0 1.8 5.0 546 473 A 22 PHE H A 88 LEU H 1.0 1.8 5.0 547 474 A 22 PHE H A 88 LEU HA 1.0 1.8 5.0 548 475 A 22 PHE H A 89 LEU HA 1.0 1.8 5.0 549 476 A 22 PHE H A 89 LEU HD2% 1.0 1.8 5.0 550 477 A 22 PHE H A 90 VAL H 1.0 1.8 5.0 551 478 A 22 PHE HD% A 22 PHE HA 1.0 1.8 5.0 552 479 A 22 PHE HA A 23 GLU H 1.0 1.8 3.5 553 480 A 23 GLU H A 23 GLU HA 1.0 1.8 5.0 554 481 A 23 GLU H A 23 GLU HBy 1.0 1.8 5.0 555 481 A 23 GLU H A 23 GLU HBx 1.0 1.8 5.0 556 482 A 23 GLU H A 23 GLU HGy 1.0 1.8 5.0 557 483 A 23 GLU H A 23 GLU HGx 1.0 1.8 5.0 558 484 A 23 GLU HA A 23 GLU HGy 1.0 1.8 5.0 559 485 A 23 GLU HA A 23 GLU HGx 1.0 1.8 5.0 560 486 A 34 ILE HD1% A 23 GLU HA 1.0 1.8 5.0 561 487 A 23 GLU HA A 87 PRO HA 1.0 1.8 5.0 562 488 A 23 GLU HA A 87 PRO HBy 1.0 1.8 5.0 563 488 A 87 PRO HBx A 23 GLU HA 1.0 1.8 5.0 564 489 A 88 LEU H A 23 GLU HA 1.0 1.8 5.0 565 490 A 25 SER H A 24 GLY HAy 1.0 1.8 5.0 566 491 A 25 SER H A 24 GLY HAx 1.0 1.8 5.0 567 492 A 28 ASP HBy A 24 GLY HAy 1.0 1.8 5.0 568 493 A 28 ASP HBx A 24 GLY HAy 1.0 1.8 5.0 569 494 A 28 ASP HBy A 24 GLY HAx 1.0 1.8 5.0 570 495 A 28 ASP HBx A 24 GLY HAx 1.0 1.8 5.0 571 496 A 34 ILE HG1y A 24 GLY HAy 1.0 1.8 5.0 572 496 A 24 GLY HAy A 34 ILE HG1x 1.0 1.8 5.0 573 497 A 34 ILE HG1y A 24 GLY HAx 1.0 1.8 5.0 574 497 A 24 GLY HAx A 34 ILE HG1x 1.0 1.8 5.0 575 498 A 34 ILE HD1% A 24 GLY HAx 1.0 1.8 5.0 576 498 A 34 ILE HD1% A 24 GLY HAy 1.0 1.8 5.0 577 499 A 26 ALA H A 25 SER HBx 1.0 1.8 3.5 578 499 A 25 SER HBy A 26 ALA H 1.0 1.8 3.5 579 500 A 27 VAL H A 25 SER HBx 1.0 1.8 5.0 580 500 A 25 SER HBy A 27 VAL H 1.0 1.8 5.0 581 501 A 28 ASP H A 25 SER HBx 1.0 1.8 5.0 582 501 A 25 SER HBy A 28 ASP H 1.0 1.8 5.0 583 502 A 25 SER H A 25 SER HBx 1.0 1.8 5.0 584 502 A 25 SER H A 25 SER HBy 1.0 1.8 5.0 585 503 A 25 SER H A 25 SER HA 1.0 1.8 5.0 586 504 A 25 SER H A 28 ASP H 1.0 1.8 5.0 587 505 A 25 SER H A 28 ASP HBy 1.0 1.8 5.0 588 506 A 25 SER H A 28 ASP HBx 1.0 1.8 5.0 589 507 A 25 SER H A 29 LEU H 1.0 1.8 5.0 590 508 A 25 SER H A 34 ILE HG1x 1.0 1.8 5.0 591 508 A 25 SER H A 34 ILE HG1y 1.0 1.8 5.0 592 509 A 26 ALA H A 26 ALA HA 1.0 1.8 5.0 593 510 A 26 ALA H A 26 ALA HB% 1.0 1.8 5.0 594 511 A 26 ALA H A 27 VAL H 1.0 1.8 3.5 595 512 A 27 VAL H A 26 ALA HA 1.0 1.8 5.0 596 513 A 29 LEU H A 26 ALA HA 1.0 1.8 5.0 597 514 A 26 ALA HA A 29 LEU HBy 1.0 1.8 5.0 598 515 A 26 ALA HA A 29 LEU HBx 1.0 1.8 5.0 599 516 A 26 ALA HA A 29 LEU HDx% 1.0 1.8 5.0 600 516 A 26 ALA HA A 29 LEU HDy% 1.0 1.8 5.0 601 517 A 26 ALA HA A 30 ALA H 1.0 1.8 5.0 602 518 A 27 VAL H A 26 ALA HB% 1.0 1.8 5.0 603 519 A 26 ALA HB% A 27 VAL HG2% 1.0 1.8 5.0 604 520 A 27 VAL H A 27 VAL HA 1.0 1.8 3.5 605 521 A 27 VAL H A 27 VAL HB 1.0 1.8 3.5 606 522 A 27 VAL H A 27 VAL HG1% 1.0 1.8 5.0 607 523 A 27 VAL H A 27 VAL HG2% 1.0 1.8 5.0 608 524 A 27 VAL H A 28 ASP H 1.0 1.8 3.5 609 525 A 27 VAL H A 29 LEU H 1.0 1.8 5.0 610 526 A 27 VAL HA A 27 VAL HG1% 1.0 1.8 5.0 611 527 A 27 VAL HG2% A 27 VAL HA 1.0 1.8 5.0 612 528 A 28 ASP H A 27 VAL HA 1.0 1.8 5.0 613 529 A 30 ALA H A 27 VAL HA 1.0 1.8 5.0 614 530 A 27 VAL HA A 30 ALA HB% 1.0 1.8 5.0 615 531 A 27 VAL HA A 31 ASP H 1.0 1.8 5.0 616 532 A 28 ASP H A 27 VAL HB 1.0 1.8 5.0 617 533 A 27 VAL HB A 30 ALA HB% 1.0 1.8 5.0 618 534 A 28 ASP H A 27 VAL HG1% 1.0 1.8 5.0 619 535 A 28 ASP H A 27 VAL HG2% 1.0 1.8 5.0 620 536 A 27 VAL HG1% A 35 HIS HD2 1.0 1.8 5.0 621 537 A 28 ASP H A 28 ASP HA 1.0 1.8 5.0 622 538 A 28 ASP HBy A 28 ASP H 1.0 1.8 5.0 623 539 A 28 ASP HBx A 28 ASP H 1.0 1.8 5.0 624 540 A 28 ASP H A 29 LEU H 1.0 1.8 3.5 625 541 A 28 ASP H A 30 ALA H 1.0 1.8 5.0 626 542 A 28 ASP HA A 33 PHE H 1.0 1.8 5.0 627 543 A 35 HIS HD2 A 28 ASP HA 1.0 1.8 5.0 628 544 A 28 ASP HBy A 29 LEU H 1.0 1.8 5.0 629 545 A 28 ASP HBx A 29 LEU H 1.0 1.8 5.0 630 546 A 28 ASP HBy A 34 ILE HA 1.0 1.8 5.0 631 547 A 28 ASP HBx A 34 ILE HA 1.0 1.8 5.0 632 548 A 29 LEU H A 29 LEU HA 1.0 1.8 5.0 633 549 A 29 LEU H A 29 LEU HBy 1.0 1.8 5.0 634 550 A 29 LEU H A 29 LEU HBx 1.0 1.8 5.0 635 551 A 29 LEU H A 29 LEU HG 1.0 1.8 5.0 636 552 A 29 LEU H A 29 LEU HDx% 1.0 1.8 5.0 637 553 A 29 LEU H A 29 LEU HDx% 1.0 1.8 5.0 638 553 A 29 LEU H A 29 LEU HDy% 1.0 1.8 5.0 639 554 A 29 LEU H A 30 ALA H 1.0 1.8 3.5 640 555 A 29 LEU HA A 29 LEU HG 1.0 1.8 5.0 641 556 A 29 LEU HA A 29 LEU HDx% 1.0 1.8 5.0 642 557 A 29 LEU HDy% A 29 LEU HA 1.0 1.8 5.0 643 558 A 30 ALA H A 29 LEU HA 1.0 1.8 5.0 644 559 A 29 LEU HA A 32 GLY H 1.0 1.8 5.0 645 560 A 29 LEU HBy A 29 LEU HDx% 1.0 1.8 5.0 646 561 A 29 LEU HDy% A 29 LEU HBy 1.0 1.8 5.0 647 562 A 29 LEU HBx A 29 LEU HDx% 1.0 1.8 5.0 648 563 A 29 LEU HDy% A 29 LEU HBx 1.0 1.8 5.0 649 564 A 30 ALA H A 29 LEU HBx 1.0 1.8 3.5 650 564 A 30 ALA H A 29 LEU HBy 1.0 1.8 3.5 651 565 A 30 ALA H A 30 ALA HA 1.0 1.8 5.0 652 566 A 30 ALA H A 30 ALA HB% 1.0 1.8 5.0 653 567 A 30 ALA H A 31 ASP H 1.0 1.8 3.5 654 568 A 30 ALA H A 32 GLY H 1.0 1.8 5.0 655 569 A 31 ASP H A 30 ALA HA 1.0 1.8 5.0 656 570 A 30 ALA HB% A 31 ASP H 1.0 1.8 5.0 657 571 A 30 ALA HB% A 32 GLY H 1.0 1.8 5.0 658 572 A 32 GLY H A 31 ASP HBx 1.0 1.8 5.0 659 572 A 32 GLY H A 31 ASP HBy 1.0 1.8 5.0 660 573 A 33 PHE H A 31 ASP HBx 1.0 1.8 5.0 661 573 A 33 PHE H A 31 ASP HBy 1.0 1.8 5.0 662 574 A 31 ASP H A 31 ASP HBx 1.0 1.8 5.0 663 574 A 31 ASP H A 31 ASP HBy 1.0 1.8 5.0 664 575 A 31 ASP H A 31 ASP HA 1.0 1.8 5.0 665 576 A 31 ASP H A 32 GLY H 1.0 1.8 3.5 666 577 A 31 ASP H A 33 PHE H 1.0 1.8 5.0 667 578 A 32 GLY H A 31 ASP HA 1.0 1.8 5.0 668 579 A 32 GLY H A 32 GLY HAy 1.0 1.8 5.0 669 580 A 32 GLY H A 32 GLY HAx 1.0 1.8 5.0 670 581 A 33 PHE H A 32 GLY H 1.0 1.8 3.5 671 582 A 33 PHE H A 32 GLY HAy 1.0 1.8 5.0 672 583 A 33 PHE H A 32 GLY HAx 1.0 1.8 5.0 673 584 A 33 PHE HD% A 34 ILE H 1.0 1.8 5.0 674 585 A 33 PHE HD% A 85 TYR HD% 1.0 1.8 5.0 675 586 A 33 PHE HD% A 85 TYR HE% 1.0 1.8 5.0 676 587 A 33 PHE H A 33 PHE HD% 1.0 1.8 5.0 677 588 A 33 PHE H A 33 PHE HA 1.0 1.8 3.5 678 589 A 33 PHE H A 33 PHE HBy 1.0 1.8 5.0 679 590 A 33 PHE H A 33 PHE HBx 1.0 1.8 5.0 680 591 A 33 PHE H A 34 ILE H 1.0 1.8 5.0 681 592 A 33 PHE HD% A 33 PHE HA 1.0 1.8 5.0 682 593 A 34 ILE H A 33 PHE HA 1.0 1.8 3.5 683 594 A 33 PHE HA A 85 TYR HA 1.0 1.8 5.0 684 595 A 33 PHE HD% A 33 PHE HBy 1.0 1.8 5.0 685 596 A 33 PHE HD% A 33 PHE HBx 1.0 1.8 5.0 686 597 A 34 ILE H A 33 PHE HBy 1.0 1.8 5.0 687 598 A 34 ILE H A 33 PHE HBx 1.0 1.8 5.0 688 599 A 33 PHE HBy A 85 TYR HA 1.0 1.8 5.0 689 600 A 33 PHE HBx A 85 TYR HA 1.0 1.8 5.0 690 601 A 34 ILE HA A 34 ILE H 1.0 1.8 5.0 691 602 A 34 ILE H A 34 ILE HB 1.0 1.8 5.0 692 603 A 34 ILE HG1y A 34 ILE H 1.0 1.8 5.0 693 604 A 34 ILE H A 34 ILE HG1x 1.0 1.8 5.0 694 605 A 34 ILE HD1% A 34 ILE H 1.0 1.8 5.0 695 606 A 34 ILE H A 84 LEU H 1.0 1.8 5.0 696 607 A 34 ILE H A 85 TYR HA 1.0 1.8 5.0 697 608 A 34 ILE HG1y A 34 ILE HA 1.0 1.8 5.0 698 609 A 34 ILE HA A 34 ILE HG1x 1.0 1.8 5.0 699 610 A 34 ILE HG2% A 34 ILE HA 1.0 1.8 5.0 700 611 A 34 ILE HA A 35 HIS H 1.0 1.8 3.5 701 612 A 34 ILE HA A 35 HIS HBx 1.0 1.8 5.0 702 612 A 34 ILE HA A 35 HIS HBy 1.0 1.8 5.0 703 613 A 34 ILE HD1% A 34 ILE HB 1.0 1.8 5.0 704 614 A 34 ILE HB A 84 LEU HBx 1.0 1.8 5.0 705 614 A 34 ILE HB A 84 LEU HBy 1.0 1.8 5.0 706 615 A 34 ILE HG2% A 34 ILE HG1x 1.0 1.8 5.0 707 615 A 34 ILE HG2% A 34 ILE HG1y 1.0 1.8 5.0 708 616 A 34 ILE HG2% A 35 HIS H 1.0 1.8 5.0 709 617 A 36 LEU HA A 34 ILE HG2% 1.0 1.8 5.0 710 618 A 34 ILE HG2% A 36 LEU HG 1.0 1.8 5.0 711 619 A 36 LEU HD1% A 34 ILE HG2% 1.0 1.8 5.0 712 620 A 34 ILE HD1% A 84 LEU HBx 1.0 1.8 5.0 713 620 A 34 ILE HD1% A 84 LEU HBy 1.0 1.8 5.0 714 621 A 34 ILE HD1% A 87 PRO HA 1.0 1.8 5.0 715 622 A 34 ILE HD1% A 88 LEU H 1.0 1.8 5.0 716 623 A 34 ILE HD1% A 88 LEU HBy 1.0 1.8 5.0 717 624 A 34 ILE HD1% A 88 LEU HBx 1.0 1.8 5.0 718 625 A 35 HIS H A 35 HIS HA 1.0 1.8 5.0 719 626 A 35 HIS H A 35 HIS HBx 1.0 1.8 5.0 720 626 A 35 HIS H A 35 HIS HBy 1.0 1.8 5.0 721 627 A 35 HIS HD2 A 35 HIS H 1.0 1.8 5.0 722 628 A 35 HIS HA A 36 LEU H 1.0 1.8 3.5 723 629 A 35 HIS HA A 83 HIS HA 1.0 1.8 5.0 724 630 A 35 HIS HA A 83 HIS HD2 1.0 1.8 5.0 725 631 A 35 HIS HD2 A 35 HIS HBy 1.0 1.8 5.0 726 632 A 35 HIS HD2 A 35 HIS HBx 1.0 1.8 5.0 727 633 A 35 HIS HBy A 36 LEU H 1.0 1.8 5.0 728 634 A 36 LEU H A 35 HIS HBx 1.0 1.8 5.0 729 635 A 36 LEU HA A 36 LEU H 1.0 1.8 5.0 730 636 A 36 LEU H A 36 LEU HBx 1.0 1.8 5.0 731 636 A 36 LEU H A 36 LEU HBy 1.0 1.8 5.0 732 637 A 36 LEU HG A 36 LEU H 1.0 1.8 5.0 733 638 A 36 LEU HD1% A 36 LEU H 1.0 1.8 5.0 734 639 A 36 LEU HD2% A 36 LEU H 1.0 1.8 5.0 735 640 A 36 LEU H A 82 PRO HGy 1.0 1.8 5.0 736 640 A 82 PRO HGx A 36 LEU H 1.0 1.8 5.0 737 641 A 36 LEU H A 83 HIS HA 1.0 1.8 5.0 738 642 A 36 LEU H A 83 HIS HD2 1.0 1.8 5.0 739 643 A 36 LEU HA A 36 LEU HG 1.0 1.8 5.0 740 644 A 36 LEU HD1% A 36 LEU HA 1.0 1.8 5.0 741 645 A 36 LEU HD2% A 36 LEU HA 1.0 1.8 5.0 742 646 A 36 LEU HA A 37 SER H 1.0 1.8 3.5 743 647 A 36 LEU HD1% A 36 LEU HBy 1.0 1.8 5.0 744 648 A 36 LEU HD2% A 36 LEU HBy 1.0 1.8 5.0 745 649 A 36 LEU HD1% A 36 LEU HBx 1.0 1.8 5.0 746 650 A 36 LEU HD2% A 36 LEU HBx 1.0 1.8 5.0 747 651 A 36 LEU HBy A 37 SER H 1.0 1.8 5.0 748 652 A 37 SER H A 36 LEU HBx 1.0 1.8 5.0 749 653 A 36 LEU HD2% A 37 SER H 1.0 1.8 5.0 750 654 A 36 LEU HD1% A 83 HIS HA 1.0 1.8 6.0 751 655 A 36 LEU HD1% A 84 LEU H 1.0 1.8 5.0 752 656 A 36 LEU HD1% A 84 LEU HBx 1.0 1.8 5.0 753 656 A 36 LEU HD1% A 84 LEU HBy 1.0 1.8 5.0 754 657 A 37 SER H A 37 SER HA 1.0 1.8 5.0 755 658 A 37 SER H A 37 SER HBy 1.0 1.8 5.0 756 659 A 37 SER H A 37 SER HBx 1.0 1.8 5.0 757 660 A 37 SER H A 82 PRO HGy 1.0 1.8 5.0 758 660 A 82 PRO HGx A 37 SER H 1.0 1.8 5.0 759 661 A 37 SER HA A 38 ALA H 1.0 1.8 3.5 760 662 A 38 ALA HB% A 37 SER HA 1.0 1.8 5.0 761 663 A 37 SER HA A 41 GLN HBx 1.0 1.8 5.0 762 663 A 37 SER HA A 41 GLN HBy 1.0 1.8 5.0 763 664 A 37 SER HA A 81 PHE HD% 1.0 1.8 5.0 764 665 A 38 ALA H A 37 SER HBy 1.0 1.8 5.0 765 666 A 38 ALA H A 37 SER HBx 1.0 1.8 5.0 766 667 A 41 GLN HBy A 37 SER HBy 1.0 1.8 5.0 767 667 A 37 SER HBy A 41 GLN HBx 1.0 1.8 5.0 768 668 A 41 GLN HBy A 37 SER HBx 1.0 1.8 5.0 769 668 A 37 SER HBx A 41 GLN HBx 1.0 1.8 5.0 770 669 A 41 GLN H A 37 SER HBx 1.0 1.8 5.0 771 669 A 37 SER HBy A 41 GLN H 1.0 1.8 5.0 772 670 A 37 SER HBy A 42 ALA H 1.0 1.8 5.0 773 671 A 42 ALA H A 37 SER HBx 1.0 1.8 5.0 774 672 A 37 SER HBy A 42 ALA HA 1.0 1.8 5.0 775 673 A 42 ALA HA A 37 SER HBx 1.0 1.8 5.0 776 674 A 42 ALA HB% A 37 SER HBy 1.0 1.8 5.0 777 675 A 42 ALA HB% A 37 SER HBx 1.0 1.8 5.0 778 676 A 45 THR HG2% A 37 SER HBx 1.0 1.8 5.0 779 676 A 45 THR HG2% A 37 SER HBy 1.0 1.8 5.0 780 677 A 38 ALA HA A 38 ALA H 1.0 1.8 5.0 781 678 A 38 ALA HB% A 38 ALA H 1.0 1.8 5.0 782 679 A 38 ALA H A 41 GLN HBx 1.0 1.8 3.5 783 679 A 38 ALA H A 41 GLN HBy 1.0 1.8 3.5 784 680 A 38 ALA H A 41 GLN H 1.0 1.8 5.0 785 681 A 38 ALA H A 72 TRP HZ3 1.0 1.8 5.0 786 682 A 38 ALA HA A 39 GLY H 1.0 1.8 5.0 787 683 A 38 ALA HB% A 39 GLY H 1.0 1.8 5.0 788 684 A 38 ALA HB% A 40 GLU H 1.0 1.8 5.0 789 685 A 38 ALA HB% A 41 GLN H 1.0 1.8 5.0 790 686 A 38 ALA HB% A 72 TRP HH2 1.0 1.8 5.0 791 687 A 38 ALA HB% A 72 TRP HZ3 1.0 1.8 5.0 792 688 A 39 GLY H A 39 GLY HAy 1.0 1.8 3.5 793 689 A 39 GLY H A 39 GLY HAx 1.0 1.8 3.5 794 690 A 39 GLY H A 40 GLU H 1.0 1.8 5.0 795 691 A 40 GLU H A 39 GLY HAy 1.0 1.8 5.0 796 692 A 40 GLU H A 39 GLY HAx 1.0 1.8 5.0 797 693 A 42 ALA H A 39 GLY HAx 1.0 1.8 5.0 798 693 A 42 ALA H A 39 GLY HAy 1.0 1.8 5.0 799 694 A 42 ALA HB% A 39 GLY HAy 1.0 1.8 5.0 800 695 A 42 ALA HB% A 39 GLY HAx 1.0 1.8 5.0 801 696 A 113 LEU HD2% A 39 GLY HAx 1.0 1.8 5.0 802 696 A 113 LEU HD2% A 39 GLY HAy 1.0 1.8 5.0 803 697 A 41 GLN H A 40 GLU HGx 1.0 1.8 5.0 804 697 A 41 GLN H A 40 GLU HGy 1.0 1.8 5.0 805 698 A 40 GLU H A 40 GLU HGx 1.0 1.8 5.0 806 698 A 40 GLU H A 40 GLU HGy 1.0 1.8 5.0 807 699 A 40 GLU H A 40 GLU HBx 1.0 1.8 3.5 808 699 A 40 GLU H A 40 GLU HBy 1.0 1.8 3.5 809 700 A 40 GLU H A 40 GLU HA 1.0 1.8 3.5 810 701 A 41 GLN H A 40 GLU H 1.0 1.8 5.0 811 702 A 42 ALA H A 40 GLU H 1.0 1.8 5.0 812 703 A 40 GLU HA A 40 GLU HGx 1.0 1.8 5.0 813 703 A 40 GLU HGy A 40 GLU HA 1.0 1.8 5.0 814 704 A 41 GLN H A 40 GLU HA 1.0 1.8 5.0 815 705 A 42 ALA H A 40 GLU HA 1.0 1.8 5.0 816 706 A 40 GLU HA A 44 GLU H 1.0 1.8 5.0 817 707 A 42 ALA H A 41 GLN HBx 1.0 1.8 5.0 818 707 A 41 GLN HBy A 42 ALA H 1.0 1.8 5.0 819 708 A 45 THR H A 41 GLN HBx 1.0 1.8 5.0 820 708 A 41 GLN HBy A 45 THR H 1.0 1.8 5.0 821 709 A 81 PHE HE% A 41 GLN HBx 1.0 1.8 5.0 822 709 A 41 GLN HBy A 81 PHE HE% 1.0 1.8 5.0 823 710 A 41 GLN H A 41 GLN HBx 1.0 1.8 5.0 824 710 A 41 GLN HBy A 41 GLN H 1.0 1.8 5.0 825 711 A 41 GLN H A 41 GLN HA 1.0 1.8 5.0 826 712 A 41 GLN H A 41 GLN HGy 1.0 1.8 5.0 827 713 A 41 GLN H A 41 GLN HGx 1.0 1.8 5.0 828 714 A 41 GLN H A 42 ALA H 1.0 1.8 2.9 829 715 A 42 ALA HB% A 41 GLN H 1.0 1.8 5.0 830 716 A 41 GLN H A 43 GLN H 1.0 1.8 5.0 831 717 A 41 GLN HA A 41 GLN HGy 1.0 1.8 5.0 832 718 A 41 GLN HA A 41 GLN HGx 1.0 1.8 5.0 833 719 A 42 ALA H A 41 GLN HA 1.0 1.8 5.0 834 720 A 41 GLN HA A 44 GLU HBx 1.0 1.8 3.5 835 720 A 41 GLN HA A 44 GLU HBy 1.0 1.8 3.5 836 721 A 41 GLN HGy A 41 GLN HE21 1.0 1.8 5.0 837 722 A 41 GLN HGy A 41 GLN HE22 1.0 1.8 5.0 838 723 A 41 GLN HGx A 41 GLN HE21 1.0 1.8 5.0 839 724 A 41 GLN HGx A 41 GLN HE22 1.0 1.8 5.0 840 725 A 41 GLN HE21 A 79 ALA HB% 1.0 1.8 5.0 841 726 A 41 GLN HE22 A 79 ALA HB% 1.0 1.8 5.0 842 727 A 42 ALA H A 42 ALA HA 1.0 1.8 5.0 843 728 A 42 ALA HB% A 42 ALA H 1.0 1.8 5.0 844 729 A 42 ALA H A 43 GLN H 1.0 1.8 5.0 845 730 A 42 ALA HA A 43 GLN H 1.0 1.8 5.0 846 731 A 42 ALA HA A 45 THR H 1.0 1.8 5.0 847 732 A 42 ALA HA A 45 THR HB 1.0 1.8 5.0 848 733 A 45 THR HG2% A 42 ALA HA 1.0 1.8 5.0 849 734 A 46 ALA H A 42 ALA HA 1.0 1.8 5.0 850 735 A 42 ALA HB% A 43 GLN H 1.0 1.8 5.0 851 736 A 42 ALA HB% A 109 LEU HD1% 1.0 1.8 5.0 852 737 A 42 ALA HB% A 109 LEU HD2% 1.0 1.8 5.0 853 738 A 42 ALA HB% A 113 LEU HD1% 1.0 1.8 5.0 854 739 A 42 ALA HB% A 113 LEU HD2% 1.0 1.8 5.0 855 740 A 43 GLN H A 43 GLN HA 1.0 1.8 5.0 856 741 A 43 GLN H A 43 GLN HBy 1.0 1.8 5.0 857 741 A 43 GLN H A 43 GLN HBx 1.0 1.8 5.0 858 742 A 43 GLN H A 43 GLN HGy 1.0 1.8 5.0 859 742 A 43 GLN H A 43 GLN HGx 1.0 1.8 5.0 860 743 A 44 GLU H A 43 GLN H 1.0 1.8 3.5 861 744 A 43 GLN H A 109 LEU HD2% 1.0 1.8 5.0 862 745 A 43 GLN HA A 43 GLN HGy 1.0 1.8 5.0 863 745 A 43 GLN HA A 43 GLN HGx 1.0 1.8 5.0 864 746 A 43 GLN HA A 43 GLN HE21 1.0 1.8 5.0 865 747 A 44 GLU H A 43 GLN HA 1.0 1.8 5.0 866 748 A 46 ALA H A 43 GLN HA 1.0 1.8 5.0 867 749 A 46 ALA HB% A 43 GLN HA 1.0 1.8 5.0 868 750 A 43 GLN HA A 47 ALA H 1.0 1.8 5.0 869 751 A 109 LEU HD1% A 43 GLN HA 1.0 1.8 5.0 870 752 A 109 LEU HD2% A 43 GLN HA 1.0 1.8 5.0 871 753 A 44 GLU H A 43 GLN HBy 1.0 1.8 5.0 872 753 A 44 GLU H A 43 GLN HBx 1.0 1.8 5.0 873 754 A 43 GLN HE21 A 43 GLN HGy 1.0 1.8 5.0 874 754 A 43 GLN HGx A 43 GLN HE21 1.0 1.8 5.0 875 755 A 43 GLN HE22 A 43 GLN HGy 1.0 1.8 5.0 876 755 A 43 GLN HGx A 43 GLN HE22 1.0 1.8 5.0 877 756 A 43 GLN HE21 A 43 GLN HGy 1.0 1.8 5.0 878 756 A 43 GLN HGx A 43 GLN HE21 1.0 1.8 5.0 879 757 A 43 GLN HE22 A 43 GLN HGy 1.0 1.8 5.0 880 757 A 43 GLN HGx A 43 GLN HE22 1.0 1.8 5.0 881 758 A 44 GLU H A 43 GLN HGy 1.0 1.8 5.0 882 758 A 44 GLU H A 43 GLN HGx 1.0 1.8 5.0 883 759 A 43 GLN HE21 A 106 VAL HG1% 1.0 1.8 5.0 884 760 A 43 GLN HE22 A 106 VAL HG1% 1.0 1.8 5.0 885 761 A 43 GLN HE21 A 108 GLN HA 1.0 1.8 5.0 886 762 A 43 GLN HE22 A 108 GLN HA 1.0 1.8 5.0 887 763 A 43 GLN HE22 A 109 LEU H 1.0 1.8 5.0 888 764 A 43 GLN HE21 A 109 LEU HBx 1.0 1.8 5.0 889 764 A 43 GLN HE21 A 109 LEU HBy 1.0 1.8 5.0 890 765 A 109 LEU HD1% A 43 GLN HE21 1.0 1.8 5.0 891 766 A 109 LEU HD1% A 43 GLN HE22 1.0 1.8 5.0 892 767 A 45 THR H A 44 GLU HGx 1.0 1.8 5.0 893 767 A 45 THR H A 44 GLU HGy 1.0 1.8 5.0 894 768 A 45 THR H A 44 GLU HBx 1.0 1.8 3.5 895 768 A 45 THR H A 44 GLU HBy 1.0 1.8 3.5 896 769 A 44 GLU H A 44 GLU HGx 1.0 1.8 5.0 897 769 A 44 GLU H A 44 GLU HGy 1.0 1.8 5.0 898 770 A 44 GLU H A 44 GLU HBx 1.0 1.8 2.9 899 770 A 44 GLU H A 44 GLU HBy 1.0 1.8 2.9 900 771 A 44 GLU H A 44 GLU HA 1.0 1.8 5.0 901 772 A 44 GLU H A 45 THR H 1.0 1.8 5.0 902 773 A 46 ALA H A 44 GLU H 1.0 1.8 5.0 903 774 A 44 GLU H A 47 ALA HB% 1.0 1.8 5.0 904 775 A 44 GLU HA A 44 GLU HGx 1.0 1.8 5.0 905 775 A 44 GLU HGy A 44 GLU HA 1.0 1.8 5.0 906 776 A 47 ALA H A 44 GLU HA 1.0 1.8 3.5 907 777 A 44 GLU HA A 47 ALA HB% 1.0 1.8 5.0 908 778 A 45 THR H A 45 THR HA 1.0 1.8 3.5 909 779 A 45 THR H A 45 THR HB 1.0 1.8 3.5 910 780 A 45 THR HG2% A 45 THR H 1.0 1.8 5.0 911 781 A 46 ALA H A 45 THR H 1.0 1.8 2.9 912 782 A 45 THR H A 47 ALA H 1.0 1.8 5.0 913 783 A 45 THR HG2% A 45 THR HA 1.0 1.8 5.0 914 784 A 46 ALA H A 45 THR HA 1.0 1.8 5.0 915 785 A 45 THR HA A 48 LYS H 1.0 1.8 5.0 916 786 A 45 THR HA A 48 LYS HBx 1.0 1.8 5.0 917 786 A 45 THR HA A 48 LYS HBy 1.0 1.8 5.0 918 787 A 45 THR HA A 49 TRP H 1.0 1.8 5.0 919 788 A 45 THR HA A 49 TRP HD1 1.0 1.8 5.0 920 789 A 46 ALA H A 45 THR HB 1.0 1.8 5.0 921 790 A 45 THR HG2% A 46 ALA H 1.0 1.8 5.0 922 791 A 45 THR HG2% A 49 TRP HA 1.0 1.8 5.0 923 792 A 45 THR HG2% A 49 TRP HD1 1.0 1.8 5.0 924 793 A 45 THR HG2% A 49 TRP HE1 1.0 1.8 5.0 925 794 A 50 PHE HD% A 45 THR HG2% 1.0 1.8 5.0 926 795 A 45 THR HG2% A 50 PHE H 1.0 1.8 5.0 927 796 A 46 ALA H A 46 ALA HA 1.0 1.8 5.0 928 797 A 46 ALA HB% A 46 ALA H 1.0 1.8 5.0 929 798 A 46 ALA H A 47 ALA H 1.0 1.8 5.0 930 799 A 46 ALA H A 48 LYS H 1.0 1.8 5.0 931 800 A 46 ALA HA A 49 TRP H 1.0 1.8 5.0 932 801 A 50 PHE HD% A 46 ALA HA 1.0 1.8 5.0 933 802 A 46 ALA HA A 50 PHE H 1.0 1.8 5.0 934 803 A 46 ALA HA A 50 PHE HBx 1.0 1.8 5.0 935 803 A 46 ALA HA A 50 PHE HBy 1.0 1.8 5.0 936 804 A 46 ALA HB% A 47 ALA H 1.0 1.8 5.0 937 805 A 47 ALA H A 47 ALA HA 1.0 1.8 5.0 938 806 A 47 ALA H A 47 ALA HB% 1.0 1.8 5.0 939 807 A 47 ALA H A 48 LYS H 1.0 1.8 2.9 940 808 A 48 LYS H A 47 ALA HA 1.0 1.8 5.0 941 809 A 50 PHE H A 47 ALA HA 1.0 1.8 5.0 942 810 A 47 ALA HB% A 48 LYS H 1.0 1.8 5.0 943 811 A 48 LYS H A 48 LYS HA 1.0 1.8 5.0 944 812 A 48 LYS H A 48 LYS HBy 1.0 1.8 3.5 945 813 A 48 LYS H A 48 LYS HBx 1.0 1.8 3.5 946 814 A 48 LYS H A 48 LYS HGx 1.0 1.8 5.0 947 814 A 48 LYS H A 48 LYS HGy 1.0 1.8 5.0 948 815 A 48 LYS HA A 48 LYS HGy 1.0 1.8 5.0 949 816 A 48 LYS HA A 48 LYS HGx 1.0 1.8 5.0 950 817 A 48 LYS HA A 48 LYS HDy 1.0 1.8 5.0 951 817 A 48 LYS HA A 48 LYS HDx 1.0 1.8 5.0 952 818 A 49 TRP H A 48 LYS HA 1.0 1.8 5.0 953 819 A 48 LYS HBy A 49 TRP H 1.0 1.8 5.0 954 820 A 49 TRP H A 48 LYS HBx 1.0 1.8 5.0 955 821 A 48 LYS HBy A 49 TRP HD1 1.0 1.8 5.0 956 822 A 49 TRP HD1 A 48 LYS HBx 1.0 1.8 5.0 957 823 A 48 LYS HBy A 49 TRP HE1 1.0 1.8 5.0 958 824 A 49 TRP HE1 A 48 LYS HBx 1.0 1.8 5.0 959 825 A 48 LYS HGy A 48 LYS HEy 1.0 1.8 5.0 960 826 A 48 LYS HGy A 48 LYS HEx 1.0 1.8 5.0 961 827 A 48 LYS HEy A 48 LYS HGx 1.0 1.8 5.0 962 828 A 48 LYS HEx A 48 LYS HGx 1.0 1.8 5.0 963 829 A 49 TRP H A 48 LYS HGx 1.0 1.8 5.0 964 829 A 49 TRP H A 48 LYS HGy 1.0 1.8 5.0 965 830 A 49 TRP HD1 A 48 LYS HGx 1.0 1.8 5.0 966 830 A 49 TRP HD1 A 48 LYS HGy 1.0 1.8 5.0 967 831 A 49 TRP HE1 A 48 LYS HGx 1.0 1.8 5.0 968 831 A 49 TRP HE1 A 48 LYS HGy 1.0 1.8 5.0 969 832 A 49 TRP HE1 A 48 LYS HDy 1.0 1.8 5.0 970 832 A 49 TRP HE1 A 48 LYS HDx 1.0 1.8 5.0 971 833 A 49 TRP H A 49 TRP HA 1.0 1.8 5.0 972 834 A 49 TRP H A 49 TRP HBy 1.0 1.8 5.0 973 835 A 49 TRP H A 49 TRP HBx 1.0 1.8 5.0 974 836 A 49 TRP H A 49 TRP HD1 1.0 1.8 5.0 975 837 A 50 PHE HD% A 49 TRP H 1.0 1.8 5.0 976 838 A 49 TRP H A 50 PHE H 1.0 1.8 3.5 977 839 A 49 TRP HD1 A 49 TRP HA 1.0 1.8 5.0 978 840 A 49 TRP HA A 49 TRP HE3 1.0 1.8 5.0 979 841 A 49 TRP HA A 50 PHE H 1.0 1.8 5.0 980 842 A 49 TRP HD1 A 49 TRP HBy 1.0 1.8 5.0 981 843 A 49 TRP HD1 A 49 TRP HBx 1.0 1.8 5.0 982 844 A 49 TRP HE3 A 49 TRP HBy 1.0 1.8 5.0 983 844 A 49 TRP HE3 A 49 TRP HBx 1.0 1.8 5.0 984 845 A 50 PHE HD% A 49 TRP HBy 1.0 1.8 5.0 985 846 A 50 PHE HD% A 49 TRP HBx 1.0 1.8 5.0 986 847 A 50 PHE H A 49 TRP HBy 1.0 1.8 5.0 987 847 A 50 PHE H A 49 TRP HBx 1.0 1.8 5.0 988 848 A 50 PHE HD% A 53 GLN HGx 1.0 1.8 5.0 989 848 A 50 PHE HD% A 53 GLN HGy 1.0 1.8 5.0 990 849 A 50 PHE HD% A 53 GLN HE21 1.0 1.8 5.0 991 850 A 50 PHE HD% A 53 GLN HE22 1.0 1.8 5.0 992 851 A 50 PHE HD% A 56 LEU HD1% 1.0 1.8 5.0 993 852 A 50 PHE HD% A 56 LEU HD2% 1.0 1.8 5.0 994 853 A 50 PHE HD% A 50 PHE H 1.0 1.8 5.0 995 854 A 50 PHE H A 50 PHE HA 1.0 1.8 5.0 996 855 A 50 PHE HBy A 50 PHE H 1.0 1.8 5.0 997 856 A 50 PHE H A 50 PHE HBx 1.0 1.8 5.0 998 857 A 50 PHE H A 51 ARG H 1.0 1.8 3.5 999 858 A 50 PHE H A 51 ARG HBy 1.0 1.8 6.0 1000 859 A 50 PHE H A 51 ARG HBx 1.0 1.8 6.0 1001 860 A 50 PHE HD% A 50 PHE HA 1.0 1.8 5.0 1002 861 A 50 PHE HA A 51 ARG H 1.0 1.8 3.5 1003 862 A 50 PHE HA A 53 GLN HGx 1.0 1.8 5.0 1004 862 A 53 GLN HGy A 50 PHE HA 1.0 1.8 5.0 1005 863 A 53 GLN HE21 A 50 PHE HA 1.0 1.8 5.0 1006 864 A 53 GLN HE22 A 50 PHE HA 1.0 1.8 5.0 1007 865 A 50 PHE HD% A 50 PHE HBy 1.0 1.8 5.0 1008 866 A 50 PHE HD% A 50 PHE HBx 1.0 1.8 5.0 1009 867 A 51 ARG H A 50 PHE HBx 1.0 1.8 5.0 1010 867 A 50 PHE HBy A 51 ARG H 1.0 1.8 5.0 1011 868 A 51 ARG HA A 50 PHE HBx 1.0 1.8 5.0 1012 868 A 50 PHE HBy A 51 ARG HA 1.0 1.8 5.0 1013 869 A 56 LEU HD1% A 50 PHE HBy 1.0 1.8 5.0 1014 870 A 56 LEU HD2% A 50 PHE HBy 1.0 1.8 5.0 1015 871 A 56 LEU HD1% A 50 PHE HBx 1.0 1.8 5.0 1016 872 A 52 GLY H A 51 ARG HGx 1.0 1.8 5.0 1017 872 A 51 ARG HGy A 52 GLY H 1.0 1.8 5.0 1018 873 A 52 GLY H A 51 ARG HDx 1.0 1.8 5.0 1019 873 A 52 GLY H A 51 ARG HDy 1.0 1.8 5.0 1020 874 A 51 ARG H A 51 ARG HGx 1.0 1.8 5.0 1021 874 A 51 ARG H A 51 ARG HGy 1.0 1.8 5.0 1022 875 A 51 ARG H A 51 ARG HA 1.0 1.8 5.0 1023 876 A 51 ARG H A 51 ARG HBy 1.0 1.8 5.0 1024 877 A 51 ARG H A 51 ARG HBx 1.0 1.8 3.5 1025 878 A 51 ARG H A 52 GLY H 1.0 1.8 5.0 1026 879 A 51 ARG HA A 51 ARG HGx 1.0 1.8 5.0 1027 879 A 51 ARG HA A 51 ARG HGy 1.0 1.8 5.0 1028 880 A 51 ARG HA A 51 ARG HDx 1.0 1.8 5.0 1029 880 A 51 ARG HA A 51 ARG HDy 1.0 1.8 5.0 1030 881 A 51 ARG HA A 52 GLY H 1.0 1.8 3.5 1031 882 A 51 ARG HBy A 51 ARG HDx 1.0 1.8 5.0 1032 882 A 51 ARG HBy A 51 ARG HDy 1.0 1.8 5.0 1033 883 A 51 ARG HBx A 51 ARG HDx 1.0 1.8 5.0 1034 883 A 51 ARG HBx A 51 ARG HDy 1.0 1.8 5.0 1035 884 A 51 ARG HBy A 52 GLY H 1.0 1.8 5.0 1036 885 A 51 ARG HBx A 52 GLY H 1.0 1.8 5.0 1037 886 A 52 GLY H A 52 GLY HAy 1.0 1.8 3.5 1038 887 A 52 GLY H A 52 GLY HAx 1.0 1.8 5.0 1039 888 A 52 GLY H A 53 GLN HGx 1.0 1.8 5.0 1040 888 A 53 GLN HGy A 52 GLY H 1.0 1.8 5.0 1041 889 A 52 GLY H A 53 GLN H 1.0 1.8 5.0 1042 890 A 52 GLY HAy A 53 GLN H 1.0 1.8 5.0 1043 891 A 52 GLY HAx A 53 GLN H 1.0 1.8 5.0 1044 892 A 53 GLN HE21 A 53 GLN HGx 1.0 1.8 5.0 1045 892 A 53 GLN HGy A 53 GLN HE21 1.0 1.8 5.0 1046 893 A 53 GLN HE22 A 53 GLN HGx 1.0 1.8 5.0 1047 893 A 53 GLN HGy A 53 GLN HE22 1.0 1.8 5.0 1048 894 A 54 ALA H A 53 GLN HGx 1.0 1.8 5.0 1049 894 A 53 GLN HGy A 54 ALA H 1.0 1.8 5.0 1050 895 A 53 GLN H A 53 GLN HGx 1.0 1.8 5.0 1051 895 A 53 GLN HGy A 53 GLN H 1.0 1.8 5.0 1052 896 A 53 GLN H A 53 GLN HA 1.0 1.8 3.5 1053 897 A 53 GLN H A 53 GLN HBy 1.0 1.8 5.0 1054 898 A 53 GLN H A 53 GLN HBx 1.0 1.8 5.0 1055 899 A 53 GLN H A 54 ALA H 1.0 1.8 5.0 1056 900 A 56 LEU HD1% A 53 GLN H 1.0 1.8 5.0 1057 901 A 56 LEU HD2% A 53 GLN H 1.0 1.8 5.0 1058 902 A 53 GLN HA A 53 GLN HGx 1.0 1.8 5.0 1059 902 A 53 GLN HGy A 53 GLN HA 1.0 1.8 5.0 1060 903 A 54 ALA H A 53 GLN HA 1.0 1.8 2.9 1061 904 A 54 ALA H A 53 GLN HBy 1.0 1.8 5.0 1062 904 A 54 ALA H A 53 GLN HBx 1.0 1.8 5.0 1063 905 A 56 LEU HD1% A 53 GLN HBy 1.0 1.8 5.0 1064 906 A 56 LEU HD2% A 53 GLN HBy 1.0 1.8 5.0 1065 907 A 56 LEU HD1% A 53 GLN HBx 1.0 1.8 5.0 1066 908 A 56 LEU HD2% A 53 GLN HBx 1.0 1.8 5.0 1067 909 A 54 ALA H A 54 ALA HA 1.0 1.8 5.0 1068 910 A 54 ALA H A 54 ALA HB% 1.0 1.8 5.0 1069 911 A 54 ALA H A 55 ASN H 1.0 1.8 5.0 1070 912 A 56 LEU HD2% A 54 ALA H 1.0 1.8 5.0 1071 913 A 54 ALA HA A 55 ASN H 1.0 1.8 5.0 1072 914 A 54 ALA HA A 56 LEU H 1.0 1.8 5.0 1073 915 A 56 LEU HD2% A 54 ALA HA 1.0 1.8 5.0 1074 916 A 54 ALA HB% A 55 ASN H 1.0 1.8 5.0 1075 917 A 54 ALA HB% A 55 ASN HA 1.0 1.8 5.0 1076 918 A 54 ALA HB% A 55 ASN HBx 1.0 1.8 5.0 1077 918 A 55 ASN HBy A 54 ALA HB% 1.0 1.8 5.0 1078 919 A 54 ALA HB% A 55 ASN HD21 1.0 1.8 5.0 1079 920 A 54 ALA HB% A 55 ASN HD22 1.0 1.8 5.0 1080 921 A 55 ASN H A 55 ASN HA 1.0 1.8 2.9 1081 922 A 55 ASN HBy A 55 ASN H 1.0 1.8 5.0 1082 923 A 55 ASN H A 55 ASN HBx 1.0 1.8 5.0 1083 924 A 55 ASN H A 56 LEU H 1.0 1.8 3.5 1084 925 A 56 LEU HD2% A 55 ASN H 1.0 1.8 5.0 1085 926 A 55 ASN HA A 55 ASN HD21 1.0 1.8 5.0 1086 927 A 56 LEU H A 55 ASN HA 1.0 1.8 3.5 1087 928 A 55 ASN HBy A 55 ASN HD21 1.0 1.8 5.0 1088 929 A 55 ASN HBy A 55 ASN HD22 1.0 1.8 5.0 1089 930 A 55 ASN HD21 A 55 ASN HBx 1.0 1.8 5.0 1090 931 A 55 ASN HD22 A 55 ASN HBx 1.0 1.8 5.0 1091 932 A 56 LEU H A 55 ASN HBx 1.0 1.8 5.0 1092 932 A 55 ASN HBy A 56 LEU H 1.0 1.8 5.0 1093 933 A 56 LEU HA A 56 LEU H 1.0 1.8 3.5 1094 934 A 56 LEU HBy A 56 LEU H 1.0 1.8 3.5 1095 935 A 56 LEU H A 56 LEU HBx 1.0 2.8 5.0 1096 936 A 56 LEU H A 56 LEU HG 1.0 1.8 5.0 1097 937 A 56 LEU HD1% A 56 LEU H 1.0 1.8 5.0 1098 938 A 56 LEU HD2% A 56 LEU H 1.0 1.8 5.0 1099 939 A 56 LEU HD2% A 56 LEU HA 1.0 1.8 5.0 1100 940 A 57 VAL H A 56 LEU HA 1.0 1.8 3.5 1101 941 A 56 LEU HBy A 56 LEU HD1% 1.0 1.8 5.0 1102 942 A 56 LEU HBy A 56 LEU HD2% 1.0 1.8 5.0 1103 943 A 56 LEU HD2% A 56 LEU HBx 1.0 1.8 5.0 1104 944 A 56 LEU HBy A 57 VAL H 1.0 1.8 5.0 1105 945 A 57 VAL H A 56 LEU HBx 1.0 1.8 5.0 1106 946 A 99 LEU HD1% A 56 LEU HBx 1.0 1.8 5.0 1107 946 A 56 LEU HBy A 99 LEU HD1% 1.0 1.8 5.0 1108 947 A 56 LEU HD2% A 57 VAL H 1.0 1.8 5.0 1109 948 A 57 VAL H A 57 VAL HA 1.0 1.8 5.0 1110 949 A 57 VAL H A 57 VAL HB 1.0 1.8 5.0 1111 950 A 57 VAL H A 57 VAL HG1% 1.0 1.8 5.0 1112 951 A 57 VAL H A 57 VAL HG2% 1.0 1.8 5.0 1113 952 A 57 VAL HG1% A 57 VAL HA 1.0 1.8 5.0 1114 953 A 57 VAL HG2% A 57 VAL HA 1.0 1.8 5.0 1115 954 A 57 VAL HA A 58 LEU H 1.0 1.8 3.5 1116 955 A 57 VAL HA A 98 ASP HA 1.0 1.8 3.5 1117 956 A 57 VAL HA A 99 LEU H 1.0 1.8 5.0 1118 957 A 57 VAL HG1% A 58 LEU H 1.0 1.8 5.0 1119 958 A 57 VAL HG2% A 58 LEU H 1.0 1.8 5.0 1120 959 A 59 LEU H A 57 VAL HG1% 1.0 1.8 5.0 1121 960 A 57 VAL HG1% A 59 LEU HD2% 1.0 1.8 5.0 1122 961 A 57 VAL HG2% A 59 LEU HD2% 1.0 1.8 5.0 1123 962 A 57 VAL HG1% A 96 GLU HA 1.0 1.8 5.0 1124 963 A 57 VAL HG1% A 96 GLU HBy 1.0 1.8 5.0 1125 964 A 57 VAL HG1% A 96 GLU HBx 1.0 1.8 5.0 1126 965 A 57 VAL HG1% A 97 ALA H 1.0 1.8 5.0 1127 966 A 57 VAL HG2% A 99 LEU H 1.0 1.8 5.0 1128 967 A 58 LEU HA A 58 LEU H 1.0 1.8 5.0 1129 968 A 58 LEU HBy A 58 LEU H 1.0 1.8 5.0 1130 969 A 58 LEU H A 58 LEU HBx 1.0 1.8 5.0 1131 970 A 58 LEU HD2% A 58 LEU H 1.0 1.8 5.0 1132 971 A 59 LEU H A 58 LEU H 1.0 1.8 5.0 1133 972 A 58 LEU H A 97 ALA H 1.0 1.8 3.5 1134 973 A 58 LEU H A 99 LEU H 1.0 1.8 5.0 1135 974 A 58 LEU HG A 58 LEU HA 1.0 1.8 5.0 1136 975 A 58 LEU HD1% A 58 LEU HA 1.0 1.8 5.0 1137 976 A 58 LEU HD2% A 58 LEU HA 1.0 1.8 5.0 1138 977 A 59 LEU H A 58 LEU HA 1.0 1.8 3.5 1139 978 A 58 LEU HD2% A 58 LEU HBy 1.0 1.8 5.0 1140 979 A 58 LEU HD2% A 58 LEU HBx 1.0 1.8 5.0 1141 980 A 97 ALA HB% A 58 LEU HBx 1.0 1.8 5.0 1142 980 A 58 LEU HBy A 97 ALA HB% 1.0 1.8 5.0 1143 981 A 58 LEU HG A 59 LEU H 1.0 1.8 5.0 1144 982 A 58 LEU HD1% A 59 LEU H 1.0 1.8 5.0 1145 983 A 60 ALA HB% A 58 LEU HD2% 1.0 1.8 5.0 1146 984 A 58 LEU HD2% A 97 ALA H 1.0 1.8 5.0 1147 985 A 59 LEU H A 59 LEU HA 1.0 1.8 5.0 1148 986 A 59 LEU H A 59 LEU HBy 1.0 1.8 5.0 1149 987 A 59 LEU H A 59 LEU HBx 1.0 1.8 5.0 1150 988 A 59 LEU H A 59 LEU HG 1.0 1.8 5.0 1151 989 A 59 LEU H A 59 LEU HD1% 1.0 1.8 5.0 1152 990 A 59 LEU H A 59 LEU HD2% 1.0 1.8 5.0 1153 991 A 59 LEU HG A 59 LEU HA 1.0 1.8 5.0 1154 992 A 59 LEU HD2% A 59 LEU HA 1.0 1.8 5.0 1155 993 A 59 LEU HA A 60 ALA H 1.0 1.8 5.0 1156 994 A 96 GLU HA A 59 LEU HA 1.0 1.8 3.5 1157 995 A 97 ALA H A 59 LEU HA 1.0 1.8 5.0 1158 996 A 59 LEU HBy A 59 LEU HD1% 1.0 1.8 5.0 1159 997 A 59 LEU HBy A 59 LEU HD2% 1.0 1.8 5.0 1160 998 A 59 LEU HD1% A 59 LEU HBx 1.0 1.8 5.0 1161 999 A 59 LEU HD2% A 59 LEU HBx 1.0 1.8 5.0 1162 1000 A 60 ALA H A 59 LEU HBx 1.0 1.8 3.5 1163 1000 A 59 LEU HBy A 60 ALA H 1.0 1.8 3.5 1164 1001 A 93 VAL HG1% A 59 LEU HBx 1.0 1.8 5.0 1165 1001 A 59 LEU HBy A 93 VAL HG1% 1.0 1.8 5.0 1166 1002 A 59 LEU HD2% A 60 ALA H 1.0 1.8 5.0 1167 1003 A 59 LEU HD1% A 88 LEU HD2% 1.0 1.8 5.0 1168 1004 A 59 LEU HD1% A 93 VAL HG2% 1.0 1.8 5.0 1169 1005 A 59 LEU HD2% A 93 VAL HG1% 1.0 1.8 5.0 1170 1006 A 59 LEU HD2% A 93 VAL HG2% 1.0 1.8 5.0 1171 1007 A 59 LEU HD2% A 96 GLU HA 1.0 1.8 5.0 1172 1008 A 59 LEU HD2% A 96 GLU HBy 1.0 1.8 5.0 1173 1008 A 59 LEU HD2% A 96 GLU HBx 1.0 1.8 5.0 1174 1009 A 59 LEU HD2% A 97 ALA H 1.0 1.8 5.0 1175 1010 A 60 ALA HA A 60 ALA H 1.0 1.8 5.0 1176 1011 A 60 ALA HB% A 60 ALA H 1.0 1.8 5.0 1177 1012 A 61 VAL H A 60 ALA H 1.0 1.8 5.0 1178 1013 A 60 ALA H A 95 ARG H 1.0 1.8 5.0 1179 1014 A 96 GLU HA A 60 ALA H 1.0 1.8 5.0 1180 1015 A 60 ALA HA A 61 VAL H 1.0 1.8 5.0 1181 1016 A 61 VAL HG2% A 60 ALA HA 1.0 1.8 5.0 1182 1017 A 60 ALA HB% A 61 VAL H 1.0 1.8 5.0 1183 1018 A 60 ALA HB% A 95 ARG H 1.0 1.8 5.0 1184 1019 A 60 ALA HB% A 95 ARG HBx 1.0 1.8 5.0 1185 1019 A 60 ALA HB% A 95 ARG HBy 1.0 1.8 5.0 1186 1020 A 60 ALA HB% A 95 ARG HDx 1.0 1.8 5.0 1187 1020 A 60 ALA HB% A 95 ARG HDy 1.0 1.8 5.0 1188 1021 A 61 VAL H A 61 VAL HA 1.0 1.8 5.0 1189 1022 A 61 VAL HB A 61 VAL H 1.0 1.8 3.5 1190 1023 A 61 VAL H A 61 VAL HG1% 1.0 1.8 5.0 1191 1024 A 61 VAL HG2% A 61 VAL H 1.0 1.8 5.0 1192 1025 A 61 VAL HA A 61 VAL HG1% 1.0 1.8 5.0 1193 1026 A 61 VAL HG2% A 61 VAL HA 1.0 1.8 5.0 1194 1027 A 62 GLU H A 61 VAL HA 1.0 1.8 3.5 1195 1028 A 61 VAL HA A 93 VAL HA 1.0 1.8 5.0 1196 1029 A 61 VAL HA A 94 THR H 1.0 1.8 5.0 1197 1030 A 61 VAL HA A 94 THR HB 1.0 1.8 5.0 1198 1031 A 95 ARG H A 61 VAL HA 1.0 1.8 5.0 1199 1032 A 62 GLU H A 61 VAL HG1% 1.0 1.8 5.0 1200 1033 A 62 GLU H A 61 VAL HG2% 1.0 1.8 5.0 1201 1034 A 63 ALA H A 61 VAL HG1% 1.0 1.8 5.0 1202 1035 A 63 ALA HA A 61 VAL HG1% 1.0 1.8 5.0 1203 1036 A 61 VAL HG1% A 92 GLU HBy 1.0 1.8 5.0 1204 1036 A 61 VAL HG1% A 92 GLU HBx 1.0 1.8 5.0 1205 1037 A 61 VAL HG1% A 92 GLU HGx 1.0 1.8 5.0 1206 1037 A 61 VAL HG1% A 92 GLU HGy 1.0 1.8 5.0 1207 1038 A 61 VAL HG2% A 93 VAL HA 1.0 1.8 5.0 1208 1039 A 61 VAL HG2% A 93 VAL HG2% 1.0 1.8 5.0 1209 1040 A 61 VAL HG2% A 94 THR H 1.0 1.8 5.0 1210 1041 A 61 VAL HG1% A 94 THR HB 1.0 1.8 5.0 1211 1042 A 61 VAL HG2% A 94 THR HB 1.0 1.8 5.0 1212 1043 A 63 ALA H A 62 GLU HBx 1.0 1.8 5.0 1213 1043 A 63 ALA H A 62 GLU HBy 1.0 1.8 5.0 1214 1044 A 62 GLU H A 62 GLU HBx 1.0 1.8 3.5 1215 1044 A 62 GLU H A 62 GLU HBy 1.0 1.8 3.5 1216 1045 A 62 GLU HA A 62 GLU H 1.0 1.8 5.0 1217 1046 A 62 GLU H A 62 GLU HGy 1.0 1.8 5.0 1218 1047 A 62 GLU H A 62 GLU HGx 1.0 1.8 5.0 1219 1048 A 62 GLU H A 94 THR H 1.0 1.8 5.0 1220 1049 A 62 GLU H A 94 THR HG2% 1.0 1.8 5.0 1221 1050 A 62 GLU HA A 63 ALA H 1.0 1.8 3.5 1222 1051 A 94 THR HG2% A 62 GLU HGx 1.0 1.8 5.0 1223 1051 A 94 THR HG2% A 62 GLU HGy 1.0 1.8 5.0 1224 1052 A 63 ALA H A 63 ALA HA 1.0 1.8 5.0 1225 1053 A 63 ALA HB% A 63 ALA H 1.0 1.8 5.0 1226 1054 A 63 ALA H A 64 GLU H 1.0 1.8 5.0 1227 1055 A 63 ALA HA A 66 LEU HD1% 1.0 1.8 5.0 1228 1056 A 63 ALA HA A 70 LEU HD2% 1.0 1.8 5.0 1229 1057 A 63 ALA HB% A 64 GLU H 1.0 1.8 5.0 1230 1058 A 63 ALA HB% A 64 GLU HA 1.0 1.8 5.0 1231 1059 A 63 ALA HB% A 66 LEU HD1% 1.0 1.8 5.0 1232 1060 A 63 ALA HB% A 70 LEU HD2% 1.0 1.8 5.0 1233 1061 A 63 ALA HB% A 72 TRP HE1 1.0 1.8 5.0 1234 1062 A 63 ALA HB% A 72 TRP HZ2 1.0 1.8 5.0 1235 1063 A 64 GLU H A 64 GLU HA 1.0 1.8 5.0 1236 1064 A 64 GLU H A 64 GLU HBy 1.0 1.8 5.0 1237 1065 A 64 GLU H A 64 GLU HBx 1.0 1.8 5.0 1238 1066 A 64 GLU H A 64 GLU HGx 1.0 1.8 5.0 1239 1066 A 64 GLU H A 64 GLU HGy 1.0 1.8 5.0 1240 1067 A 64 GLU H A 65 PRO HDy 1.0 1.8 5.0 1241 1068 A 64 GLU H A 65 PRO HDx 1.0 1.8 5.0 1242 1069 A 64 GLU HA A 64 GLU HGy 1.0 1.8 5.0 1243 1070 A 64 GLU HA A 64 GLU HGx 1.0 1.8 5.0 1244 1071 A 64 GLU HBy A 65 PRO HDy 1.0 1.8 5.0 1245 1072 A 64 GLU HBy A 65 PRO HDx 1.0 1.8 5.0 1246 1073 A 64 GLU HBx A 65 PRO HDy 1.0 1.8 5.0 1247 1074 A 64 GLU HBx A 65 PRO HDx 1.0 1.8 5.0 1248 1075 A 65 PRO HA A 66 LEU H 1.0 1.8 5.0 1249 1076 A 65 PRO HA A 67 GLY H 1.0 1.8 5.0 1250 1077 A 65 PRO HDy A 66 LEU H 1.0 1.8 5.0 1251 1078 A 65 PRO HDx A 66 LEU H 1.0 1.8 5.0 1252 1079 A 66 LEU H A 66 LEU HA 1.0 1.8 5.0 1253 1080 A 66 LEU H A 66 LEU HBy 1.0 1.8 5.0 1254 1081 A 66 LEU H A 66 LEU HBx 1.0 1.8 5.0 1255 1082 A 66 LEU H A 66 LEU HG 1.0 1.8 5.0 1256 1083 A 66 LEU HD1% A 66 LEU H 1.0 1.8 5.0 1257 1084 A 66 LEU H A 66 LEU HD2% 1.0 1.8 5.0 1258 1085 A 66 LEU H A 67 GLY H 1.0 1.8 3.5 1259 1086 A 66 LEU HA A 66 LEU HG 1.0 1.8 5.0 1260 1087 A 66 LEU HD1% A 66 LEU HA 1.0 1.8 5.0 1261 1088 A 66 LEU HA A 66 LEU HD2% 1.0 1.8 5.0 1262 1089 A 67 GLY H A 66 LEU HA 1.0 1.8 5.0 1263 1090 A 66 LEU HD1% A 66 LEU HBy 1.0 1.8 5.0 1264 1091 A 66 LEU HD2% A 66 LEU HBy 1.0 1.8 5.0 1265 1092 A 66 LEU HD1% A 66 LEU HBx 1.0 1.8 5.0 1266 1093 A 66 LEU HD2% A 66 LEU HBx 1.0 1.8 5.0 1267 1094 A 67 GLY H A 66 LEU HBx 1.0 1.8 5.0 1268 1094 A 67 GLY H A 66 LEU HBy 1.0 1.8 5.0 1269 1095 A 67 GLY H A 66 LEU HG 1.0 1.8 5.0 1270 1096 A 66 LEU HD1% A 69 ASP H 1.0 1.8 5.0 1271 1097 A 66 LEU HD1% A 70 LEU HD1% 1.0 1.8 5.0 1272 1098 A 67 GLY H A 67 GLY HAy 1.0 1.8 3.5 1273 1099 A 67 GLY H A 67 GLY HAx 1.0 1.8 5.0 1274 1100 A 67 GLY H A 68 GLU H 1.0 1.8 5.0 1275 1101 A 68 GLU H A 67 GLY HAy 1.0 1.8 3.5 1276 1102 A 68 GLU H A 67 GLY HAx 1.0 1.8 3.5 1277 1103 A 69 ASP H A 67 GLY HAx 1.0 1.8 5.0 1278 1103 A 69 ASP H A 67 GLY HAy 1.0 1.8 5.0 1279 1104 A 69 ASP H A 68 GLU HGx 1.0 1.8 5.0 1280 1104 A 69 ASP H A 68 GLU HGy 1.0 1.8 5.0 1281 1105 A 68 GLU H A 68 GLU HGx 1.0 1.8 5.0 1282 1105 A 68 GLU H A 68 GLU HGy 1.0 1.8 5.0 1283 1106 A 68 GLU H A 68 GLU HA 1.0 1.8 3.5 1284 1107 A 68 GLU H A 68 GLU HBy 1.0 1.8 3.5 1285 1108 A 68 GLU H A 68 GLU HBx 1.0 1.8 4.0 1286 1109 A 69 ASP H A 68 GLU H 1.0 1.8 3.5 1287 1110 A 68 GLU HA A 68 GLU HGx 1.0 1.8 5.0 1288 1110 A 68 GLU HGy A 68 GLU HA 1.0 1.8 5.0 1289 1111 A 69 ASP H A 68 GLU HA 1.0 1.8 5.0 1290 1112 A 68 GLU HA A 70 LEU H 1.0 1.8 5.0 1291 1113 A 69 ASP H A 68 GLU HBy 1.0 1.8 5.0 1292 1114 A 69 ASP H A 68 GLU HBx 1.0 1.8 5.0 1293 1115 A 69 ASP HA A 68 GLU HBy 1.0 1.8 5.0 1294 1115 A 68 GLU HBx A 69 ASP HA 1.0 1.8 5.0 1295 1116 A 69 ASP H A 69 ASP HA 1.0 1.8 3.5 1296 1117 A 69 ASP H A 69 ASP HBy 1.0 1.8 5.0 1297 1118 A 69 ASP H A 69 ASP HBx 1.0 1.8 5.0 1298 1119 A 69 ASP H A 70 LEU H 1.0 1.8 3.5 1299 1120 A 69 ASP H A 84 LEU HDx% 1.0 1.8 5.0 1300 1120 A 69 ASP H A 84 LEU HDy% 1.0 1.8 5.0 1301 1121 A 70 LEU H A 69 ASP HA 1.0 1.8 5.0 1302 1122 A 69 ASP HA A 70 LEU HA 1.0 1.8 5.0 1303 1123 A 70 LEU H A 69 ASP HBx 1.0 1.8 5.0 1304 1123 A 70 LEU H A 69 ASP HBy 1.0 1.8 5.0 1305 1124 A 84 LEU HDy% A 69 ASP HBy 1.0 1.8 5.0 1306 1124 A 69 ASP HBy A 84 LEU HDx% 1.0 1.8 5.0 1307 1125 A 84 LEU HDy% A 69 ASP HBx 1.0 1.8 5.0 1308 1125 A 69 ASP HBx A 84 LEU HDx% 1.0 1.8 5.0 1309 1126 A 69 ASP HBy A 86 ARG HGx 1.0 1.8 5.0 1310 1126 A 69 ASP HBy A 86 ARG HGy 1.0 1.8 5.0 1311 1127 A 86 ARG HGx A 69 ASP HBx 1.0 1.8 5.0 1312 1127 A 69 ASP HBx A 86 ARG HGy 1.0 1.8 5.0 1313 1128 A 70 LEU H A 70 LEU HA 1.0 1.8 5.0 1314 1129 A 70 LEU H A 70 LEU HBy 1.0 1.8 5.0 1315 1130 A 70 LEU H A 70 LEU HBx 1.0 1.8 5.0 1316 1131 A 70 LEU H A 70 LEU HG 1.0 1.8 5.0 1317 1132 A 70 LEU HD1% A 70 LEU H 1.0 1.8 5.0 1318 1133 A 70 LEU HD2% A 70 LEU H 1.0 1.8 5.0 1319 1134 A 70 LEU H A 71 LYS H 1.0 1.8 5.0 1320 1135 A 70 LEU H A 84 LEU HDx% 1.0 1.8 5.0 1321 1135 A 70 LEU H A 84 LEU HDy% 1.0 1.8 5.0 1322 1136 A 70 LEU HA A 70 LEU HG 1.0 1.8 5.0 1323 1137 A 70 LEU HD1% A 70 LEU HA 1.0 1.8 5.0 1324 1138 A 70 LEU HA A 71 LYS H 1.0 1.8 5.0 1325 1139 A 70 LEU HA A 84 LEU HA 1.0 1.8 5.0 1326 1140 A 70 LEU HA A 84 LEU HDx% 1.0 1.8 5.0 1327 1140 A 84 LEU HDy% A 70 LEU HA 1.0 1.8 5.0 1328 1141 A 70 LEU HD1% A 70 LEU HBy 1.0 1.8 5.0 1329 1142 A 70 LEU HD2% A 70 LEU HBy 1.0 1.8 5.0 1330 1143 A 70 LEU HD1% A 70 LEU HBx 1.0 1.8 5.0 1331 1144 A 70 LEU HD2% A 70 LEU HBx 1.0 1.8 5.0 1332 1145 A 70 LEU HG A 71 LYS H 1.0 1.8 5.0 1333 1146 A 70 LEU HG A 72 TRP HD1 1.0 1.8 5.0 1334 1147 A 70 LEU HD1% A 71 LYS H 1.0 1.8 5.0 1335 1148 A 70 LEU HD2% A 71 LYS H 1.0 1.8 5.0 1336 1149 A 70 LEU HD2% A 72 TRP HD1 1.0 1.8 5.0 1337 1150 A 70 LEU HD2% A 72 TRP HE1 1.0 1.8 5.0 1338 1151 A 72 TRP HZ2 A 70 LEU HD2% 1.0 1.8 5.0 1339 1152 A 70 LEU HD1% A 82 PRO HA 1.0 1.8 5.0 1340 1153 A 70 LEU HD1% A 82 PRO HBy 1.0 1.8 5.0 1341 1154 A 70 LEU HD1% A 82 PRO HBx 1.0 1.8 5.0 1342 1155 A 70 LEU HD1% A 83 HIS H 1.0 1.8 5.0 1343 1156 A 70 LEU HD1% A 84 LEU HA 1.0 1.8 5.0 1344 1157 A 70 LEU HD1% A 84 LEU HDx% 1.0 1.8 5.0 1345 1158 A 70 LEU HD1% A 84 LEU HDy% 1.0 1.8 5.0 1346 1159 A 71 LYS HEy A 71 LYS HGx 1.0 1.8 5.0 1347 1159 A 71 LYS HGy A 71 LYS HEy 1.0 1.8 5.0 1348 1160 A 71 LYS HEx A 71 LYS HGx 1.0 1.8 5.0 1349 1160 A 71 LYS HGy A 71 LYS HEx 1.0 1.8 5.0 1350 1161 A 72 TRP H A 71 LYS HGx 1.0 1.8 5.0 1351 1161 A 71 LYS HGy A 72 TRP H 1.0 1.8 5.0 1352 1162 A 71 LYS H A 71 LYS HGx 1.0 1.8 5.0 1353 1162 A 71 LYS H A 71 LYS HGy 1.0 1.8 5.0 1354 1163 A 71 LYS H A 71 LYS HA 1.0 1.8 5.0 1355 1164 A 71 LYS H A 71 LYS HBy 1.0 1.8 5.0 1356 1165 A 71 LYS H A 71 LYS HBx 1.0 1.8 5.0 1357 1166 A 71 LYS H A 83 HIS H 1.0 1.8 5.0 1358 1167 A 71 LYS H A 84 LEU HA 1.0 1.8 5.0 1359 1168 A 71 LYS H A 84 LEU HDx% 1.0 1.8 5.0 1360 1168 A 84 LEU HDy% A 71 LYS H 1.0 1.8 5.0 1361 1169 A 85 TYR HE% A 71 LYS H 1.0 1.8 5.0 1362 1170 A 71 LYS HA A 71 LYS HGx 1.0 1.8 5.0 1363 1170 A 71 LYS HGy A 71 LYS HA 1.0 1.8 5.0 1364 1171 A 72 TRP H A 71 LYS HA 1.0 1.8 3.5 1365 1172 A 72 TRP HD1 A 71 LYS HA 1.0 1.8 5.0 1366 1173 A 71 LYS HDx A 71 LYS HBy 1.0 1.8 5.0 1367 1173 A 71 LYS HBy A 71 LYS HDy 1.0 1.8 5.0 1368 1174 A 71 LYS HDx A 71 LYS HBx 1.0 1.8 5.0 1369 1174 A 71 LYS HBx A 71 LYS HDy 1.0 1.8 5.0 1370 1175 A 72 TRP H A 71 LYS HBx 1.0 1.8 5.0 1371 1175 A 72 TRP H A 71 LYS HBy 1.0 1.8 5.0 1372 1176 A 85 TYR HE% A 71 LYS HBy 1.0 1.8 5.0 1373 1177 A 85 TYR HE% A 71 LYS HBx 1.0 1.8 5.0 1374 1178 A 85 TYR HE% A 71 LYS HDy 1.0 1.8 5.0 1375 1178 A 85 TYR HE% A 71 LYS HDx 1.0 1.8 5.0 1376 1179 A 72 TRP H A 72 TRP HA 1.0 1.8 3.5 1377 1180 A 72 TRP H A 72 TRP HBy 1.0 1.8 5.0 1378 1181 A 72 TRP H A 72 TRP HBx 1.0 1.8 5.0 1379 1182 A 72 TRP HD1 A 72 TRP H 1.0 1.8 5.0 1380 1183 A 72 TRP HD1 A 72 TRP HA 1.0 1.8 5.0 1381 1184 A 72 TRP HA A 72 TRP HE3 1.0 1.8 5.0 1382 1185 A 72 TRP HA A 73 GLU H 1.0 1.8 2.9 1383 1186 A 82 PRO HA A 72 TRP HA 1.0 1.8 5.0 1384 1187 A 83 HIS H A 72 TRP HA 1.0 1.8 3.5 1385 1188 A 72 TRP HD1 A 72 TRP HBy 1.0 1.8 5.0 1386 1189 A 72 TRP HD1 A 72 TRP HBx 1.0 1.8 5.0 1387 1190 A 72 TRP HBy A 72 TRP HE3 1.0 1.8 5.0 1388 1191 A 72 TRP HBx A 72 TRP HE3 1.0 1.8 5.0 1389 1192 A 72 TRP HBy A 73 GLU H 1.0 1.8 5.0 1390 1193 A 72 TRP HBx A 73 GLU H 1.0 1.8 5.0 1391 1194 A 72 TRP HH2 A 82 PRO HGy 1.0 1.8 5.0 1392 1194 A 72 TRP HH2 A 82 PRO HGx 1.0 1.8 5.0 1393 1195 A 72 TRP HZ3 A 81 PHE HA 1.0 1.8 5.0 1394 1196 A 72 TRP HZ3 A 82 PRO HDy 1.0 1.8 5.0 1395 1197 A 72 TRP HZ3 A 82 PRO HDx 1.0 1.8 5.0 1396 1198 A 72 TRP HE3 A 80 ARG HBy 1.0 1.8 5.0 1397 1199 A 72 TRP HE3 A 80 ARG HBx 1.0 1.8 5.0 1398 1200 A 72 TRP HE3 A 80 ARG HGy 1.0 1.8 5.0 1399 1200 A 72 TRP HE3 A 80 ARG HGx 1.0 1.8 5.0 1400 1201 A 72 TRP HE3 A 81 PHE HA 1.0 1.8 5.0 1401 1202 A 72 TRP HE3 A 82 PRO HDx 1.0 1.8 5.0 1402 1202 A 72 TRP HE3 A 82 PRO HDy 1.0 1.8 5.0 1403 1203 A 73 GLU H A 73 GLU HA 1.0 1.8 3.5 1404 1204 A 73 GLU H A 73 GLU HBy 1.0 1.8 5.0 1405 1204 A 73 GLU H A 73 GLU HBx 1.0 1.8 5.0 1406 1205 A 73 GLU H A 81 PHE H 1.0 1.8 5.0 1407 1206 A 82 PRO HA A 73 GLU H 1.0 1.8 5.0 1408 1207 A 73 GLU H A 83 HIS HBx 1.0 1.8 5.0 1409 1207 A 73 GLU H A 83 HIS HBy 1.0 1.8 5.0 1410 1208 A 73 GLU HA A 73 GLU HGy 1.0 1.8 5.0 1411 1209 A 73 GLU HA A 73 GLU HGx 1.0 1.8 5.0 1412 1210 A 73 GLU HA A 74 ALA H 1.0 1.8 5.0 1413 1211 A 74 ALA H A 73 GLU HBy 1.0 1.8 5.0 1414 1212 A 73 GLU HBx A 74 ALA H 1.0 1.8 5.0 1415 1213 A 74 ALA H A 74 ALA HA 1.0 1.8 5.0 1416 1214 A 74 ALA H A 74 ALA HB% 1.0 1.8 5.0 1417 1215 A 74 ALA HA A 75 SER H 1.0 1.8 5.0 1418 1216 A 74 ALA HB% A 75 SER H 1.0 1.8 5.0 1419 1217 A 74 ALA HB% A 80 ARG HGy 1.0 1.8 5.0 1420 1218 A 80 ARG HGx A 74 ALA HB% 1.0 1.8 5.0 1421 1219 A 81 PHE H A 74 ALA HB% 1.0 1.8 5.0 1422 1220 A 75 SER H A 75 SER HA 1.0 1.8 3.5 1423 1221 A 75 SER H A 75 SER HBy 1.0 1.8 5.0 1424 1222 A 75 SER H A 75 SER HBx 1.0 1.8 5.0 1425 1223 A 81 PHE HD% A 75 SER H 1.0 1.8 5.0 1426 1224 A 75 SER HA A 76 ARG HA 1.0 1.8 5.0 1427 1225 A 76 ARG HBx A 76 ARG HDx 1.0 1.8 5.0 1428 1225 A 76 ARG HBy A 76 ARG HDx 1.0 1.8 5.0 1429 1225 A 76 ARG HDy A 76 ARG HBx 1.0 1.8 5.0 1430 1225 A 76 ARG HBy A 76 ARG HDy 1.0 1.8 5.0 1431 1226 A 76 ARG HA A 76 ARG HGx 1.0 1.8 5.0 1432 1226 A 76 ARG HA A 76 ARG HGy 1.0 1.8 5.0 1433 1227 A 76 ARG HA A 76 ARG HDx 1.0 1.8 5.0 1434 1227 A 76 ARG HA A 76 ARG HDy 1.0 1.8 5.0 1435 1228 A 78 GLY H A 78 GLY HAy 1.0 1.8 5.0 1436 1229 A 78 GLY H A 78 GLY HAx 1.0 1.8 5.0 1437 1230 A 78 GLY H A 79 ALA H 1.0 1.8 5.0 1438 1231 A 79 ALA HB% A 78 GLY H 1.0 1.8 5.0 1439 1232 A 78 GLY HAy A 79 ALA H 1.0 1.8 5.0 1440 1233 A 78 GLY HAx A 79 ALA H 1.0 1.8 5.0 1441 1234 A 79 ALA H A 79 ALA HA 1.0 1.8 5.0 1442 1235 A 79 ALA HB% A 79 ALA H 1.0 1.8 5.0 1443 1236 A 79 ALA H A 80 ARG H 1.0 1.8 5.0 1444 1237 A 79 ALA HA A 80 ARG H 1.0 1.8 5.0 1445 1238 A 79 ALA HB% A 80 ARG H 1.0 1.8 5.0 1446 1239 A 81 PHE HD% A 79 ALA HB% 1.0 1.8 5.0 1447 1240 A 81 PHE HE% A 79 ALA HB% 1.0 1.8 5.0 1448 1241 A 79 ALA HB% A 81 PHE HZ 1.0 1.8 5.0 1449 1242 A 80 ARG H A 80 ARG HA 1.0 1.8 5.0 1450 1243 A 80 ARG HBy A 80 ARG H 1.0 1.8 5.0 1451 1244 A 80 ARG HBx A 80 ARG H 1.0 1.8 5.0 1452 1245 A 81 PHE H A 80 ARG H 1.0 1.8 5.0 1453 1246 A 80 ARG HA A 80 ARG HGy 1.0 1.8 5.0 1454 1246 A 80 ARG HGx A 80 ARG HA 1.0 1.8 5.0 1455 1247 A 81 PHE H A 80 ARG HA 1.0 1.8 3.5 1456 1248 A 80 ARG HBy A 80 ARG HDx 1.0 1.8 5.0 1457 1248 A 80 ARG HBy A 80 ARG HDy 1.0 1.8 5.0 1458 1249 A 80 ARG HBx A 80 ARG HDx 1.0 1.8 5.0 1459 1249 A 80 ARG HBx A 80 ARG HDy 1.0 1.8 5.0 1460 1250 A 80 ARG HBy A 81 PHE H 1.0 1.8 5.0 1461 1251 A 80 ARG HBx A 81 PHE H 1.0 1.8 5.0 1462 1252 A 81 PHE H A 80 ARG HGy 1.0 1.8 5.0 1463 1252 A 80 ARG HGx A 81 PHE H 1.0 1.8 5.0 1464 1253 A 81 PHE HD% A 82 PRO HDx 1.0 1.8 5.0 1465 1253 A 81 PHE HD% A 82 PRO HDy 1.0 1.8 5.0 1466 1254 A 81 PHE HD% A 81 PHE H 1.0 1.8 5.0 1467 1255 A 81 PHE HA A 81 PHE H 1.0 1.8 5.0 1468 1256 A 81 PHE H A 81 PHE HBy 1.0 1.8 5.0 1469 1257 A 81 PHE H A 81 PHE HBx 1.0 1.8 5.0 1470 1258 A 81 PHE HD% A 81 PHE HA 1.0 1.8 5.0 1471 1259 A 81 PHE HA A 82 PRO HDy 1.0 1.8 5.0 1472 1260 A 81 PHE HA A 82 PRO HDx 1.0 1.8 5.0 1473 1261 A 81 PHE HD% A 81 PHE HBy 1.0 1.8 5.0 1474 1262 A 81 PHE HD% A 81 PHE HBx 1.0 1.8 5.0 1475 1263 A 81 PHE HBy A 82 PRO HDx 1.0 1.8 5.0 1476 1263 A 82 PRO HDy A 81 PHE HBy 1.0 1.8 5.0 1477 1264 A 81 PHE HBx A 82 PRO HDx 1.0 1.8 5.0 1478 1264 A 82 PRO HDy A 81 PHE HBx 1.0 1.8 5.0 1479 1265 A 82 PRO HA A 83 HIS H 1.0 1.8 3.5 1480 1266 A 83 HIS H A 82 PRO HBy 1.0 1.8 5.0 1481 1266 A 83 HIS H A 82 PRO HBx 1.0 1.8 5.0 1482 1267 A 83 HIS HA A 83 HIS H 1.0 1.8 5.0 1483 1268 A 83 HIS H A 83 HIS HBy 1.0 1.8 5.0 1484 1269 A 83 HIS H A 83 HIS HBx 1.0 1.8 5.0 1485 1270 A 83 HIS HA A 83 HIS HD2 1.0 1.8 5.0 1486 1271 A 84 LEU H A 83 HIS HA 1.0 1.8 3.5 1487 1272 A 84 LEU H A 83 HIS HBy 1.0 1.8 5.0 1488 1273 A 84 LEU H A 83 HIS HBx 1.0 1.8 5.0 1489 1274 A 85 TYR HE% A 83 HIS HBy 1.0 1.8 5.0 1490 1275 A 85 TYR HE% A 83 HIS HBx 1.0 1.8 5.0 1491 1276 A 84 LEU H A 84 LEU HA 1.0 1.8 5.0 1492 1277 A 84 LEU H A 84 LEU HBy 1.0 1.8 5.0 1493 1278 A 84 LEU H A 84 LEU HBx 1.0 1.8 5.0 1494 1279 A 84 LEU H A 84 LEU HDx% 1.0 1.8 5.0 1495 1279 A 84 LEU H A 84 LEU HDy% 1.0 1.8 5.0 1496 1280 A 84 LEU H A 85 TYR H 1.0 2.8 5.0 1497 1281 A 84 LEU HA A 84 LEU HG 1.0 1.8 5.0 1498 1282 A 84 LEU HA A 84 LEU HDx% 1.0 1.8 5.0 1499 1282 A 84 LEU HDy% A 84 LEU HA 1.0 1.8 5.0 1500 1283 A 85 TYR HD% A 84 LEU HA 1.0 1.8 5.0 1501 1284 A 84 LEU HA A 85 TYR H 1.0 1.8 3.5 1502 1285 A 84 LEU HA A 86 ARG H 1.0 1.8 5.0 1503 1286 A 84 LEU HBy A 84 LEU HDx% 1.0 1.8 5.0 1504 1286 A 84 LEU HBx A 84 LEU HDx% 1.0 1.8 5.0 1505 1286 A 84 LEU HDy% A 84 LEU HBx 1.0 1.8 5.0 1506 1286 A 84 LEU HBy A 84 LEU HDy% 1.0 1.8 5.0 1507 1287 A 84 LEU HBy A 85 TYR H 1.0 1.8 5.0 1508 1288 A 85 TYR H A 84 LEU HBx 1.0 1.8 5.0 1509 1289 A 85 TYR H A 84 LEU HG 1.0 1.8 5.0 1510 1290 A 84 LEU HG A 86 ARG H 1.0 1.8 5.0 1511 1291 A 85 TYR H A 84 LEU HDx% 1.0 1.8 5.0 1512 1291 A 84 LEU HDy% A 85 TYR H 1.0 1.8 5.0 1513 1292 A 86 ARG H A 84 LEU HDx% 1.0 1.8 5.0 1514 1293 A 86 ARG H A 84 LEU HDx% 1.0 1.8 5.0 1515 1293 A 84 LEU HDy% A 86 ARG H 1.0 1.8 5.0 1516 1294 A 86 ARG HGx A 84 LEU HDx% 1.0 1.8 5.0 1517 1294 A 84 LEU HDx% A 86 ARG HGy 1.0 1.8 5.0 1518 1295 A 84 LEU HDy% A 86 ARG HGx 1.0 1.8 5.0 1519 1295 A 84 LEU HDy% A 86 ARG HGy 1.0 1.8 5.0 1520 1296 A 86 ARG HE A 84 LEU HDx% 1.0 1.8 5.0 1521 1296 A 84 LEU HDy% A 86 ARG HE 1.0 1.8 5.0 1522 1297 A 88 LEU HA A 84 LEU HDx% 1.0 1.8 5.0 1523 1297 A 88 LEU HA A 84 LEU HDy% 1.0 1.8 5.0 1524 1298 A 84 LEU HDy% A 88 LEU HBx 1.0 1.8 5.0 1525 1298 A 84 LEU HDx% A 88 LEU HBx 1.0 1.8 5.0 1526 1298 A 88 LEU HBy A 84 LEU HDx% 1.0 1.8 5.0 1527 1298 A 84 LEU HDy% A 88 LEU HBy 1.0 1.8 5.0 1528 1299 A 85 TYR HD% A 85 TYR H 1.0 1.8 5.0 1529 1300 A 85 TYR HA A 85 TYR H 1.0 1.8 5.0 1530 1301 A 85 TYR H A 85 TYR HBy 1.0 1.8 5.0 1531 1302 A 85 TYR H A 85 TYR HBx 1.0 1.8 5.0 1532 1303 A 85 TYR H A 86 ARG H 1.0 1.8 5.0 1533 1304 A 85 TYR HD% A 85 TYR HA 1.0 1.8 5.0 1534 1305 A 85 TYR HA A 86 ARG H 1.0 1.8 3.5 1535 1306 A 85 TYR HD% A 85 TYR HBy 1.0 1.8 5.0 1536 1307 A 85 TYR HD% A 85 TYR HBx 1.0 1.8 5.0 1537 1308 A 85 TYR HE% A 85 TYR HBy 1.0 1.8 5.0 1538 1308 A 85 TYR HE% A 85 TYR HBx 1.0 1.8 5.0 1539 1309 A 86 ARG H A 86 ARG HA 1.0 1.8 5.0 1540 1310 A 86 ARG H A 86 ARG HGy 1.0 1.8 5.0 1541 1311 A 86 ARG HGx A 86 ARG H 1.0 1.8 5.0 1542 1312 A 86 ARG HA A 87 PRO HDy 1.0 1.8 5.0 1543 1313 A 86 ARG HA A 87 PRO HDx 1.0 1.8 5.0 1544 1314 A 86 ARG HBy A 86 ARG HDy 1.0 1.8 5.0 1545 1315 A 86 ARG HBy A 86 ARG HDx 1.0 1.8 5.0 1546 1316 A 86 ARG HDy A 86 ARG HBx 1.0 1.8 5.0 1547 1317 A 86 ARG HDx A 86 ARG HBx 1.0 1.8 5.0 1548 1318 A 87 PRO HDy A 86 ARG HBy 1.0 1.8 5.0 1549 1319 A 87 PRO HDx A 86 ARG HBy 1.0 1.8 5.0 1550 1320 A 87 PRO HDy A 86 ARG HBx 1.0 1.8 5.0 1551 1321 A 87 PRO HDx A 86 ARG HBx 1.0 1.8 5.0 1552 1322 A 88 LEU H A 87 PRO HA 1.0 1.8 3.5 1553 1323 A 88 LEU H A 87 PRO HBy 1.0 1.8 5.0 1554 1324 A 87 PRO HBx A 88 LEU H 1.0 1.8 5.0 1555 1325 A 88 LEU H A 87 PRO HGy 1.0 1.8 5.0 1556 1325 A 88 LEU H A 87 PRO HGx 1.0 1.8 5.0 1557 1326 A 89 LEU HD2% A 87 PRO HGy 1.0 1.8 5.0 1558 1326 A 89 LEU HD2% A 87 PRO HGx 1.0 1.8 5.0 1559 1327 A 88 LEU H A 88 LEU HA 1.0 1.8 5.0 1560 1328 A 88 LEU H A 88 LEU HBy 1.0 1.8 5.0 1561 1329 A 88 LEU H A 88 LEU HBx 1.0 1.8 5.0 1562 1330 A 88 LEU H A 88 LEU HD2% 1.0 1.8 5.0 1563 1331 A 89 LEU HD2% A 88 LEU H 1.0 1.8 5.0 1564 1332 A 88 LEU HA A 88 LEU HG 1.0 1.8 5.0 1565 1333 A 88 LEU HA A 88 LEU HD1% 1.0 1.8 5.0 1566 1334 A 88 LEU HA A 89 LEU H 1.0 1.8 3.5 1567 1335 A 89 LEU HD2% A 88 LEU HA 1.0 1.8 5.0 1568 1336 A 88 LEU HBy A 88 LEU HD1% 1.0 1.8 5.0 1569 1337 A 88 LEU HD2% A 88 LEU HBy 1.0 1.8 5.0 1570 1338 A 88 LEU HD1% A 88 LEU HBx 1.0 1.8 5.0 1571 1339 A 88 LEU HD2% A 88 LEU HBx 1.0 1.8 5.0 1572 1340 A 89 LEU H A 88 LEU HBx 1.0 1.8 5.0 1573 1340 A 88 LEU HBy A 89 LEU H 1.0 1.8 5.0 1574 1341 A 88 LEU HG A 89 LEU H 1.0 1.8 5.0 1575 1342 A 88 LEU HG A 92 GLU HBy 1.0 1.8 5.0 1576 1342 A 92 GLU HBx A 88 LEU HG 1.0 1.8 5.0 1577 1343 A 88 LEU HD1% A 89 LEU H 1.0 1.8 5.0 1578 1344 A 88 LEU HD1% A 92 GLU HBy 1.0 1.8 5.0 1579 1344 A 92 GLU HBx A 88 LEU HD1% 1.0 1.8 5.0 1580 1345 A 89 LEU HD1% A 89 LEU HBx 1.0 1.8 5.0 1581 1345 A 89 LEU HBy A 89 LEU HD1% 1.0 1.8 5.0 1582 1346 A 89 LEU HD2% A 89 LEU HBx 1.0 1.8 5.0 1583 1346 A 89 LEU HBy A 89 LEU HD2% 1.0 1.8 5.0 1584 1347 A 90 VAL H A 89 LEU HBx 1.0 1.8 3.5 1585 1347 A 89 LEU HBy A 90 VAL H 1.0 1.8 3.5 1586 1348 A 91 SER H A 89 LEU HBx 1.0 1.8 5.0 1587 1348 A 89 LEU HBy A 91 SER H 1.0 1.8 5.0 1588 1349 A 92 GLU H A 89 LEU HBx 1.0 1.8 3.5 1589 1349 A 89 LEU HBy A 92 GLU H 1.0 1.8 3.5 1590 1350 A 89 LEU HBx A 92 GLU HBy 1.0 1.8 5.0 1591 1350 A 89 LEU HBy A 92 GLU HBy 1.0 1.8 5.0 1592 1350 A 92 GLU HBx A 89 LEU HBx 1.0 1.8 5.0 1593 1350 A 89 LEU HBy A 92 GLU HBx 1.0 1.8 5.0 1594 1351 A 89 LEU HBx A 92 GLU HGx 1.0 1.8 5.0 1595 1351 A 89 LEU HBy A 92 GLU HGx 1.0 1.8 5.0 1596 1351 A 92 GLU HGy A 89 LEU HBx 1.0 1.8 5.0 1597 1351 A 89 LEU HBy A 92 GLU HGy 1.0 1.8 5.0 1598 1352 A 89 LEU H A 89 LEU HBx 1.0 1.8 5.0 1599 1352 A 89 LEU HBy A 89 LEU H 1.0 1.8 5.0 1600 1353 A 89 LEU HA A 89 LEU H 1.0 1.8 5.0 1601 1354 A 89 LEU H A 89 LEU HG 1.0 1.8 5.0 1602 1355 A 89 LEU H A 89 LEU HD1% 1.0 1.8 5.0 1603 1356 A 89 LEU HD2% A 89 LEU H 1.0 1.8 5.0 1604 1357 A 90 VAL H A 89 LEU H 1.0 1.8 5.0 1605 1358 A 89 LEU H A 92 GLU HBy 1.0 1.8 5.0 1606 1359 A 92 GLU HBx A 89 LEU H 1.0 1.8 5.0 1607 1360 A 89 LEU H A 92 GLU HGx 1.0 1.8 5.0 1608 1360 A 92 GLU HGy A 89 LEU H 1.0 1.8 5.0 1609 1361 A 89 LEU HA A 89 LEU HG 1.0 1.8 5.0 1610 1362 A 89 LEU HA A 89 LEU HD1% 1.0 1.8 5.0 1611 1363 A 89 LEU HA A 89 LEU HD2% 1.0 1.8 5.0 1612 1364 A 89 LEU HA A 90 VAL H 1.0 1.8 3.5 1613 1365 A 90 VAL HA A 89 LEU HA 1.0 1.8 5.0 1614 1366 A 89 LEU HA A 91 SER H 1.0 1.8 5.0 1615 1367 A 89 LEU HD2% A 90 VAL H 1.0 1.8 5.0 1616 1368 A 90 VAL HA A 90 VAL H 1.0 1.8 3.5 1617 1369 A 90 VAL H A 90 VAL HB 1.0 1.8 3.5 1618 1370 A 90 VAL HG1% A 90 VAL H 1.0 1.8 5.0 1619 1371 A 90 VAL HG2% A 90 VAL H 1.0 1.8 5.0 1620 1372 A 90 VAL H A 91 SER H 1.0 1.8 3.5 1621 1373 A 90 VAL HG1% A 90 VAL HA 1.0 1.8 5.0 1622 1374 A 90 VAL HA A 90 VAL HG2% 1.0 1.8 5.0 1623 1375 A 90 VAL HA A 91 SER H 1.0 1.8 5.0 1624 1376 A 93 VAL HB A 90 VAL HA 1.0 1.8 5.0 1625 1377 A 93 VAL HG2% A 90 VAL HA 1.0 1.8 5.0 1626 1378 A 91 SER H A 90 VAL HB 1.0 1.8 5.0 1627 1379 A 90 VAL HG1% A 91 SER H 1.0 1.8 5.0 1628 1380 A 90 VAL HG2% A 91 SER H 1.0 1.8 5.0 1629 1381 A 90 VAL HG1% A 92 GLU H 1.0 1.8 5.0 1630 1382 A 91 SER H A 91 SER HA 1.0 1.8 3.5 1631 1383 A 91 SER H A 91 SER HBy 1.0 1.8 5.0 1632 1384 A 91 SER H A 91 SER HBx 1.0 1.8 5.0 1633 1385 A 91 SER H A 92 GLU H 1.0 1.8 5.0 1634 1386 A 93 VAL HG2% A 91 SER HA 1.0 1.8 5.0 1635 1387 A 92 GLU H A 92 GLU HA 1.0 1.8 3.5 1636 1388 A 92 GLU H A 92 GLU HBy 1.0 1.8 5.0 1637 1389 A 92 GLU HBx A 92 GLU H 1.0 1.8 5.0 1638 1390 A 92 GLU H A 92 GLU HGx 1.0 1.8 5.0 1639 1390 A 92 GLU HGy A 92 GLU H 1.0 1.8 5.0 1640 1391 A 92 GLU HA A 92 GLU HGx 1.0 1.8 5.0 1641 1391 A 92 GLU HGy A 92 GLU HA 1.0 1.8 5.0 1642 1392 A 92 GLU HA A 93 VAL H 1.0 1.8 5.0 1643 1393 A 93 VAL H A 92 GLU HBy 1.0 1.8 5.0 1644 1393 A 92 GLU HBx A 93 VAL H 1.0 1.8 5.0 1645 1394 A 93 VAL HA A 93 VAL H 1.0 1.8 5.0 1646 1395 A 93 VAL HB A 93 VAL H 1.0 1.8 3.5 1647 1396 A 93 VAL HG1% A 93 VAL H 1.0 1.8 5.0 1648 1397 A 93 VAL HG2% A 93 VAL H 1.0 1.8 5.0 1649 1398 A 94 THR H A 93 VAL H 1.0 1.8 5.0 1650 1399 A 93 VAL HG1% A 93 VAL HA 1.0 1.8 5.0 1651 1400 A 93 VAL HG2% A 93 VAL HA 1.0 1.8 5.0 1652 1401 A 93 VAL HA A 94 THR H 1.0 1.8 3.5 1653 1402 A 93 VAL HA A 94 THR HA 1.0 1.8 5.0 1654 1403 A 93 VAL HG1% A 94 THR H 1.0 1.8 5.0 1655 1404 A 93 VAL HG2% A 94 THR H 1.0 1.8 5.0 1656 1405 A 93 VAL HG1% A 94 THR HA 1.0 1.8 5.0 1657 1406 A 93 VAL HG1% A 95 ARG H 1.0 1.8 5.0 1658 1407 A 93 VAL HG1% A 96 GLU H 1.0 1.8 5.0 1659 1408 A 93 VAL HG1% A 96 GLU HBy 1.0 1.8 5.0 1660 1408 A 96 GLU HBx A 93 VAL HG1% 1.0 1.8 5.0 1661 1409 A 94 THR H A 94 THR HA 1.0 1.8 5.0 1662 1410 A 94 THR H A 94 THR HB 1.0 1.8 3.5 1663 1411 A 94 THR H A 94 THR HG2% 1.0 1.8 5.0 1664 1412 A 95 ARG H A 94 THR H 1.0 1.8 5.0 1665 1413 A 94 THR HG2% A 94 THR HA 1.0 1.8 5.0 1666 1414 A 95 ARG H A 94 THR HA 1.0 1.8 5.0 1667 1415 A 95 ARG H A 94 THR HB 1.0 1.8 3.5 1668 1416 A 94 THR HG2% A 95 ARG HBx 1.0 1.8 5.0 1669 1416 A 95 ARG HBy A 94 THR HG2% 1.0 1.8 5.0 1670 1417 A 95 ARG H A 95 ARG HA 1.0 1.8 5.0 1671 1418 A 95 ARG H A 95 ARG HBx 1.0 1.8 3.5 1672 1418 A 95 ARG H A 95 ARG HBy 1.0 1.8 3.5 1673 1419 A 95 ARG H A 96 GLU H 1.0 1.8 5.0 1674 1420 A 95 ARG HA A 95 ARG HGy 1.0 1.8 5.0 1675 1421 A 95 ARG HA A 95 ARG HGx 1.0 1.8 5.0 1676 1422 A 95 ARG HA A 95 ARG HDx 1.0 1.8 5.0 1677 1422 A 95 ARG HDy A 95 ARG HA 1.0 1.8 5.0 1678 1423 A 96 GLU H A 95 ARG HA 1.0 1.8 2.9 1679 1424 A 95 ARG HBx A 95 ARG HDx 1.0 1.8 5.0 1680 1424 A 95 ARG HBy A 95 ARG HDx 1.0 1.8 5.0 1681 1424 A 95 ARG HDy A 95 ARG HBx 1.0 1.8 5.0 1682 1424 A 95 ARG HBy A 95 ARG HDy 1.0 1.8 5.0 1683 1425 A 95 ARG HE A 95 ARG HBx 1.0 1.8 5.0 1684 1425 A 95 ARG HBy A 95 ARG HE 1.0 1.8 5.0 1685 1426 A 96 GLU H A 95 ARG HBx 1.0 1.8 3.5 1686 1426 A 95 ARG HBy A 96 GLU H 1.0 1.8 3.5 1687 1427 A 95 ARG HE A 95 ARG HGy 1.0 1.8 5.0 1688 1427 A 95 ARG HE A 95 ARG HGx 1.0 1.8 5.0 1689 1428 A 96 GLU H A 95 ARG HGy 1.0 1.8 5.0 1690 1429 A 96 GLU H A 95 ARG HGx 1.0 1.8 5.0 1691 1430 A 96 GLU HA A 96 GLU H 1.0 1.8 5.0 1692 1431 A 96 GLU H A 96 GLU HGy 1.0 1.8 5.0 1693 1432 A 96 GLU H A 96 GLU HGx 1.0 1.8 5.0 1694 1433 A 96 GLU HA A 97 ALA H 1.0 1.8 3.5 1695 1434 A 96 GLU HA A 97 ALA HB% 1.0 1.8 5.0 1696 1435 A 97 ALA H A 96 GLU HBy 1.0 1.8 5.0 1697 1436 A 96 GLU HBx A 97 ALA H 1.0 1.8 5.0 1698 1437 A 97 ALA H A 97 ALA HA 1.0 1.8 5.0 1699 1438 A 97 ALA H A 97 ALA HB% 1.0 1.8 5.0 1700 1439 A 97 ALA HA A 98 ASP H 1.0 1.8 5.0 1701 1440 A 97 ALA HB% A 98 ASP H 1.0 1.8 5.0 1702 1441 A 98 ASP HA A 98 ASP H 1.0 1.8 3.5 1703 1442 A 98 ASP H A 98 ASP HBy 1.0 1.8 5.0 1704 1443 A 98 ASP H A 98 ASP HBx 1.0 1.8 5.0 1705 1444 A 99 LEU H A 98 ASP H 1.0 1.8 5.0 1706 1445 A 98 ASP HA A 99 LEU H 1.0 1.8 3.5 1707 1446 A 99 LEU H A 98 ASP HBy 1.0 1.8 5.0 1708 1447 A 99 LEU H A 98 ASP HBx 1.0 1.8 5.0 1709 1448 A 99 LEU H A 99 LEU HA 1.0 1.8 3.5 1710 1449 A 99 LEU H A 99 LEU HBy 1.0 1.8 5.0 1711 1450 A 99 LEU H A 99 LEU HBx 1.0 1.8 5.0 1712 1451 A 99 LEU H A 99 LEU HG 1.0 1.8 5.0 1713 1452 A 99 LEU HD1% A 99 LEU H 1.0 1.8 5.0 1714 1453 A 99 LEU H A 99 LEU HD2% 1.0 1.8 5.0 1715 1454 A 99 LEU H A 100 ASP H 1.0 1.8 5.0 1716 1455 A 99 LEU HA A 99 LEU HG 1.0 1.8 5.0 1717 1456 A 99 LEU HA A 99 LEU HD2% 1.0 1.8 5.0 1718 1457 A 99 LEU HA A 100 ASP H 1.0 1.8 2.9 1719 1458 A 99 LEU HD1% A 99 LEU HBy 1.0 1.8 5.0 1720 1459 A 99 LEU HD1% A 99 LEU HBx 1.0 1.8 5.0 1721 1460 A 99 LEU HBx A 99 LEU HD2% 1.0 1.8 5.0 1722 1461 A 99 LEU HBy A 100 ASP H 1.0 1.8 5.0 1723 1462 A 99 LEU HBx A 100 ASP H 1.0 1.8 5.0 1724 1463 A 99 LEU HD2% A 100 ASP H 1.0 1.8 5.0 1725 1464 A 100 ASP H A 100 ASP HA 1.0 1.8 5.0 1726 1465 A 100 ASP H A 100 ASP HBy 1.0 1.8 5.0 1727 1466 A 100 ASP H A 100 ASP HBx 1.0 1.8 5.0 1728 1467 A 100 ASP H A 101 LEU H 1.0 1.8 5.0 1729 1468 A 100 ASP HA A 101 LEU H 1.0 1.8 3.5 1730 1469 A 100 ASP HBy A 101 LEU H 1.0 1.8 5.0 1731 1470 A 100 ASP HBx A 101 LEU H 1.0 1.8 5.0 1732 1471 A 101 LEU H A 101 LEU HA 1.0 1.8 5.0 1733 1472 A 101 LEU H A 101 LEU HBy 1.0 1.8 5.0 1734 1473 A 101 LEU H A 101 LEU HBx 1.0 1.8 5.0 1735 1474 A 101 LEU H A 101 LEU HG 1.0 1.8 5.0 1736 1475 A 101 LEU H A 101 LEU HD1% 1.0 1.8 5.0 1737 1476 A 101 LEU H A 101 LEU HD2% 1.0 1.8 5.0 1738 1477 A 101 LEU H A 102 ASP H 1.0 1.8 5.0 1739 1478 A 101 LEU HA A 101 LEU HG 1.0 1.8 5.0 1740 1479 A 101 LEU HA A 101 LEU HD2% 1.0 1.8 5.0 1741 1480 A 101 LEU HA A 102 ASP H 1.0 1.8 3.5 1742 1481 A 101 LEU HD1% A 101 LEU HBy 1.0 1.8 5.0 1743 1482 A 101 LEU HD1% A 101 LEU HBx 1.0 1.8 5.0 1744 1483 A 101 LEU HD2% A 101 LEU HBx 1.0 1.8 5.0 1745 1484 A 102 ASP H A 101 LEU HBy 1.0 1.8 5.0 1746 1485 A 102 ASP H A 101 LEU HBx 1.0 1.8 5.0 1747 1486 A 105 GLY H A 101 LEU HBx 1.0 1.8 5.0 1748 1486 A 101 LEU HBy A 105 GLY H 1.0 1.8 5.0 1749 1487 A 101 LEU HD2% A 102 ASP H 1.0 1.8 5.0 1750 1488 A 101 LEU HD1% A 105 GLY H 1.0 1.8 5.0 1751 1489 A 101 LEU HD1% A 105 GLY HAy 1.0 1.8 5.0 1752 1490 A 101 LEU HD1% A 105 GLY HAx 1.0 1.8 5.0 1753 1491 A 101 LEU HD2% A 107 PRO HA 1.0 1.8 5.0 1754 1492 A 101 LEU HD2% A 107 PRO HBy 1.0 1.8 5.0 1755 1492 A 101 LEU HD2% A 107 PRO HBx 1.0 1.8 5.0 1756 1493 A 101 LEU HD2% A 107 PRO HGy 1.0 1.8 5.0 1757 1494 A 101 LEU HD2% A 107 PRO HGx 1.0 1.8 5.0 1758 1495 A 101 LEU HD1% A 107 PRO HDx 1.0 1.8 5.0 1759 1495 A 101 LEU HD1% A 107 PRO HDy 1.0 1.8 5.0 1760 1496 A 101 LEU HD2% A 107 PRO HDx 1.0 1.8 5.0 1761 1496 A 101 LEU HD2% A 107 PRO HDy 1.0 1.8 5.0 1762 1497 A 101 LEU HD2% A 108 GLN H 1.0 1.8 5.0 1763 1498 A 102 ASP H A 102 ASP HA 1.0 1.8 5.0 1764 1499 A 102 ASP H A 102 ASP HBy 1.0 1.8 5.0 1765 1500 A 102 ASP H A 102 ASP HBx 1.0 1.8 5.0 1766 1501 A 102 ASP H A 103 ALA H 1.0 1.8 5.0 1767 1502 A 102 ASP H A 105 GLY H 1.0 1.8 5.0 1768 1503 A 102 ASP H A 106 VAL H 1.0 1.8 3.5 1769 1504 A 102 ASP H A 108 GLN HGx 1.0 1.8 5.0 1770 1504 A 102 ASP H A 108 GLN HGy 1.0 1.8 5.0 1771 1505 A 102 ASP H A 108 GLN HE21 1.0 1.8 5.0 1772 1506 A 102 ASP HA A 103 ALA H 1.0 1.8 3.5 1773 1507 A 102 ASP HA A 104 ASP H 1.0 1.8 5.0 1774 1508 A 103 ALA H A 102 ASP HBy 1.0 1.8 5.0 1775 1509 A 103 ALA H A 102 ASP HBx 1.0 1.8 3.5 1776 1510 A 104 ASP H A 102 ASP HBx 1.0 1.8 5.0 1777 1510 A 104 ASP H A 102 ASP HBy 1.0 1.8 5.0 1778 1511 A 103 ALA H A 103 ALA HA 1.0 1.8 5.0 1779 1512 A 103 ALA H A 103 ALA HB% 1.0 1.8 5.0 1780 1513 A 103 ALA H A 104 ASP H 1.0 1.8 5.0 1781 1514 A 105 GLY H A 103 ALA H 1.0 1.8 5.0 1782 1515 A 104 ASP H A 103 ALA HA 1.0 1.8 5.0 1783 1516 A 105 GLY H A 103 ALA HA 1.0 1.8 5.0 1784 1517 A 104 ASP H A 103 ALA HB% 1.0 1.8 5.0 1785 1518 A 104 ASP H A 104 ASP HA 1.0 1.8 3.5 1786 1519 A 104 ASP H A 104 ASP HBy 1.0 1.8 5.0 1787 1520 A 104 ASP H A 104 ASP HBx 1.0 1.8 5.0 1788 1521 A 105 GLY H A 104 ASP H 1.0 1.8 2.9 1789 1522 A 104 ASP H A 105 GLY HAy 1.0 1.8 5.0 1790 1523 A 104 ASP H A 105 GLY HAx 1.0 1.8 5.0 1791 1524 A 106 VAL H A 104 ASP H 1.0 1.8 5.0 1792 1525 A 104 ASP H A 106 VAL HB 1.0 1.8 5.0 1793 1526 A 104 ASP H A 106 VAL HG2% 1.0 1.8 5.0 1794 1527 A 104 ASP HA A 105 GLY HAx 1.0 1.8 5.0 1795 1527 A 104 ASP HA A 105 GLY HAy 1.0 1.8 5.0 1796 1528 A 105 GLY H A 104 ASP HBy 1.0 1.8 5.0 1797 1529 A 105 GLY H A 104 ASP HBx 1.0 1.8 5.0 1798 1530 A 106 VAL H A 104 ASP HBx 1.0 1.8 5.0 1799 1530 A 106 VAL H A 104 ASP HBy 1.0 1.8 5.0 1800 1531 A 106 VAL HG2% A 104 ASP HBy 1.0 1.8 5.0 1801 1532 A 106 VAL HG2% A 104 ASP HBx 1.0 1.8 5.0 1802 1533 A 105 GLY H A 105 GLY HAy 1.0 1.8 5.0 1803 1534 A 105 GLY H A 105 GLY HAx 1.0 1.8 5.0 1804 1535 A 105 GLY H A 106 VAL H 1.0 1.8 3.5 1805 1536 A 105 GLY H A 106 VAL HG2% 1.0 1.8 5.0 1806 1537 A 106 VAL H A 105 GLY HAy 1.0 1.8 5.0 1807 1538 A 106 VAL H A 105 GLY HAx 1.0 1.8 5.0 1808 1539 A 106 VAL H A 106 VAL HA 1.0 1.8 5.0 1809 1540 A 106 VAL H A 106 VAL HB 1.0 1.8 3.5 1810 1541 A 106 VAL HG1% A 106 VAL H 1.0 1.8 5.0 1811 1542 A 106 VAL H A 106 VAL HG2% 1.0 1.8 5.0 1812 1543 A 106 VAL H A 108 GLN HE21 1.0 1.8 5.0 1813 1544 A 106 VAL HG1% A 106 VAL HA 1.0 1.8 5.0 1814 1545 A 106 VAL HG2% A 106 VAL HA 1.0 1.8 5.0 1815 1546 A 107 PRO HDy A 106 VAL HA 1.0 1.8 5.0 1816 1547 A 106 VAL HA A 107 PRO HDx 1.0 1.8 5.0 1817 1548 A 108 GLN HE21 A 106 VAL HB 1.0 1.8 5.0 1818 1549 A 106 VAL HB A 108 GLN HE22 1.0 1.8 5.0 1819 1550 A 106 VAL HG1% A 107 PRO HDx 1.0 1.8 5.0 1820 1550 A 106 VAL HG1% A 107 PRO HDy 1.0 1.8 5.0 1821 1551 A 106 VAL HG2% A 107 PRO HDx 1.0 1.8 5.0 1822 1551 A 107 PRO HDy A 106 VAL HG2% 1.0 1.8 5.0 1823 1552 A 106 VAL HG1% A 108 GLN HE21 1.0 1.8 5.0 1824 1553 A 106 VAL HG1% A 108 GLN HE22 1.0 1.8 5.0 1825 1554 A 109 LEU HD1% A 106 VAL HG1% 1.0 1.8 5.0 1826 1555 A 108 GLN HA A 108 GLN H 1.0 1.8 5.0 1827 1556 A 108 GLN H A 108 GLN HBy 1.0 1.8 5.0 1828 1556 A 108 GLN H A 108 GLN HBx 1.0 1.8 5.0 1829 1557 A 108 GLN H A 108 GLN HGx 1.0 1.8 5.0 1830 1557 A 108 GLN H A 108 GLN HGy 1.0 1.8 5.0 1831 1558 A 109 LEU H A 108 GLN H 1.0 1.8 5.0 1832 1559 A 108 GLN HA A 108 GLN HGx 1.0 1.8 5.0 1833 1559 A 108 GLN HA A 108 GLN HGy 1.0 1.8 5.0 1834 1560 A 108 GLN HA A 108 GLN HE21 1.0 1.8 5.0 1835 1561 A 108 GLN HA A 109 LEU H 1.0 1.8 2.9 1836 1562 A 109 LEU HD1% A 108 GLN HA 1.0 1.8 5.0 1837 1563 A 108 GLN HA A 110 GLY H 1.0 1.8 5.0 1838 1564 A 108 GLN HE21 A 108 GLN HBy 1.0 1.8 5.0 1839 1564 A 108 GLN HE21 A 108 GLN HBx 1.0 1.8 5.0 1840 1565 A 108 GLN HE21 A 108 GLN HGx 1.0 1.8 5.0 1841 1565 A 108 GLN HGy A 108 GLN HE21 1.0 1.8 5.0 1842 1566 A 108 GLN HE22 A 108 GLN HGx 1.0 1.8 5.0 1843 1566 A 108 GLN HGy A 108 GLN HE22 1.0 1.8 5.0 1844 1567 A 109 LEU H A 109 LEU HA 1.0 1.8 5.0 1845 1568 A 109 LEU H A 109 LEU HBx 1.0 1.8 5.0 1846 1568 A 109 LEU H A 109 LEU HBy 1.0 1.8 5.0 1847 1569 A 109 LEU H A 109 LEU HG 1.0 1.8 5.0 1848 1570 A 109 LEU HD1% A 109 LEU H 1.0 1.8 5.0 1849 1571 A 109 LEU HD2% A 109 LEU H 1.0 1.8 5.0 1850 1572 A 109 LEU H A 110 GLY H 1.0 1.8 2.9 1851 1573 A 109 LEU H A 111 ASP H 1.0 1.8 5.0 1852 1574 A 109 LEU HA A 109 LEU HG 1.0 1.8 5.0 1853 1575 A 109 LEU HD1% A 109 LEU HA 1.0 1.8 5.0 1854 1576 A 109 LEU HD2% A 109 LEU HA 1.0 1.8 5.0 1855 1577 A 110 GLY H A 109 LEU HA 1.0 1.8 5.0 1856 1578 A 109 LEU HA A 112 HIS H 1.0 1.8 5.0 1857 1579 A 109 LEU HA A 112 HIS HD2 1.0 1.8 5.0 1858 1580 A 109 LEU HD1% A 109 LEU HBx 1.0 1.8 5.0 1859 1580 A 109 LEU HD1% A 109 LEU HBy 1.0 1.8 5.0 1860 1581 A 109 LEU HD2% A 109 LEU HBx 1.0 1.8 5.0 1861 1581 A 109 LEU HD2% A 109 LEU HBy 1.0 1.8 5.0 1862 1582 A 110 GLY H A 109 LEU HBx 1.0 1.8 5.0 1863 1582 A 109 LEU HBy A 110 GLY H 1.0 1.8 5.0 1864 1583 A 112 HIS H A 109 LEU HBx 1.0 1.8 5.0 1865 1583 A 109 LEU HBy A 112 HIS H 1.0 1.8 5.0 1866 1584 A 109 LEU HBy A 112 HIS HBx 1.0 1.8 5.0 1867 1584 A 109 LEU HBx A 112 HIS HBx 1.0 1.8 5.0 1868 1584 A 112 HIS HBy A 109 LEU HBx 1.0 1.8 5.0 1869 1584 A 109 LEU HBy A 112 HIS HBy 1.0 1.8 5.0 1870 1585 A 113 LEU HG A 109 LEU HBx 1.0 1.8 5.0 1871 1585 A 109 LEU HBy A 113 LEU HG 1.0 1.8 5.0 1872 1586 A 113 LEU HD2% A 109 LEU HBy 1.0 1.8 5.0 1873 1587 A 113 LEU HD1% A 109 LEU HBx 1.0 1.8 5.0 1874 1588 A 113 LEU HD2% A 109 LEU HBx 1.0 1.8 5.0 1875 1589 A 109 LEU HG A 112 HIS HD2 1.0 1.8 5.0 1876 1590 A 109 LEU HD1% A 112 HIS H 1.0 1.8 5.0 1877 1591 A 109 LEU HD1% A 112 HIS HBy 1.0 1.8 5.0 1878 1592 A 109 LEU HD1% A 112 HIS HBx 1.0 1.8 5.0 1879 1593 A 109 LEU HD1% A 112 HIS HD2 1.0 1.8 5.0 1880 1594 A 109 LEU HD2% A 112 HIS HD2 1.0 1.8 5.0 1881 1595 A 113 LEU HD2% A 109 LEU HD1% 1.0 1.8 5.0 1882 1596 A 113 LEU HD2% A 109 LEU HD2% 1.0 1.8 5.0 1883 1597 A 110 GLY H A 110 GLY HAy 1.0 1.8 3.5 1884 1598 A 110 GLY H A 110 GLY HAx 1.0 1.8 3.5 1885 1599 A 110 GLY H A 111 ASP H 1.0 1.8 5.0 1886 1600 A 110 GLY H A 112 HIS H 1.0 1.8 5.0 1887 1601 A 111 ASP H A 110 GLY HAy 1.0 1.8 5.0 1888 1602 A 111 ASP H A 110 GLY HAx 1.0 1.8 5.0 1889 1603 A 110 GLY HAy A 113 LEU HBx 1.0 1.8 5.0 1890 1603 A 110 GLY HAx A 113 LEU HBx 1.0 1.8 5.0 1891 1603 A 113 LEU HBy A 110 GLY HAx 1.0 1.8 5.0 1892 1603 A 110 GLY HAy A 113 LEU HBy 1.0 1.8 5.0 1893 1604 A 113 LEU HD1% A 110 GLY HAx 1.0 1.8 5.0 1894 1604 A 113 LEU HD1% A 110 GLY HAy 1.0 1.8 5.0 1895 1605 A 111 ASP H A 111 ASP HA 1.0 1.8 5.0 1896 1606 A 111 ASP H A 111 ASP HBy 1.0 1.8 5.0 1897 1607 A 111 ASP H A 111 ASP HBx 1.0 1.8 5.0 1898 1608 A 111 ASP H A 112 HIS H 1.0 1.8 3.5 1899 1609 A 112 HIS H A 111 ASP HA 1.0 1.8 5.0 1900 1610 A 112 HIS H A 111 ASP HBy 1.0 1.8 5.0 1901 1611 A 112 HIS H A 111 ASP HBx 1.0 1.8 5.0 1902 1612 A 112 HIS H A 112 HIS HA 1.0 1.8 5.0 1903 1613 A 112 HIS H A 112 HIS HBy 1.0 1.8 5.0 1904 1614 A 112 HIS H A 112 HIS HBx 1.0 1.8 5.0 1905 1615 A 112 HIS H A 112 HIS HD2 1.0 1.8 5.0 1906 1616 A 112 HIS H A 113 LEU H 1.0 1.8 2.9 1907 1617 A 112 HIS H A 113 LEU HG 1.0 1.8 5.0 1908 1618 A 112 HIS HA A 113 LEU H 1.0 1.8 5.0 1909 1619 A 112 HIS HD2 A 112 HIS HBy 1.0 1.8 5.0 1910 1620 A 112 HIS HD2 A 112 HIS HBx 1.0 1.8 5.0 1911 1621 A 113 LEU H A 112 HIS HBx 1.0 1.8 5.0 1912 1621 A 112 HIS HBy A 113 LEU H 1.0 1.8 5.0 1913 1622 A 113 LEU HD2% A 112 HIS HD2 1.0 1.8 5.0 1914 1623 A 113 LEU H A 113 LEU HA 1.0 1.8 5.0 1915 1624 A 113 LEU HBy A 113 LEU H 1.0 1.8 5.0 1916 1625 A 113 LEU H A 113 LEU HBx 1.0 1.8 5.0 1917 1626 A 113 LEU HG A 113 LEU H 1.0 1.8 5.0 1918 1627 A 113 LEU HD1% A 113 LEU H 1.0 1.8 5.0 1919 1628 A 113 LEU HD2% A 113 LEU H 1.0 1.8 5.0 1920 1629 A 113 LEU H A 114 ALA H 1.0 1.8 5.0 1921 1630 A 113 LEU HG A 113 LEU HA 1.0 1.8 5.0 1922 1631 A 113 LEU HD2% A 113 LEU HA 1.0 1.8 5.0 1923 1632 A 113 LEU HA A 114 ALA H 1.0 1.8 3.5 1924 1633 A 113 LEU HD1% A 113 LEU HBy 1.0 1.8 5.0 1925 1634 A 113 LEU HD2% A 113 LEU HBy 1.0 1.8 5.0 1926 1635 A 113 LEU HD1% A 113 LEU HBx 1.0 1.8 5.0 1927 1636 A 113 LEU HD2% A 113 LEU HBx 1.0 1.8 5.0 1928 1637 A 113 LEU HBy A 114 ALA H 1.0 1.8 3.5 1929 1638 A 114 ALA H A 113 LEU HBx 1.0 1.8 3.5 1930 1639 A 113 LEU HD2% A 114 ALA H 1.0 1.8 5.0 1931 1640 A 114 ALA H A 114 ALA HA 1.0 1.8 5.0 1932 1641 A 114 ALA H A 114 ALA HB% 1.0 1.8 5.0 1933 1642 A 114 ALA HA A 115 LEU H 1.0 1.8 5.0 1934 1643 A 114 ALA HB% A 115 LEU H 1.0 1.8 5.0 1935 1644 A 115 LEU H A 115 LEU HA 1.0 1.8 5.0 1936 1645 A 115 LEU H A 115 LEU HBx 1.0 1.8 5.0 1937 1645 A 115 LEU H A 115 LEU HBy 1.0 1.8 5.0 1938 1646 A 115 LEU H A 115 LEU HG 1.0 1.8 5.0 1939 1647 A 115 LEU H A 116 GLU H 1.0 1.8 5.0 1940 1648 A 115 LEU HA A 115 LEU HG 1.0 1.8 5.0 1941 1649 A 115 LEU HA A 115 LEU HD2% 1.0 1.8 5.0 1942 1650 A 115 LEU HA A 116 GLU H 1.0 1.8 3.5 1943 1651 A 115 LEU HBy A 115 LEU HD1% 1.0 1.8 5.0 1944 1652 A 115 LEU HBy A 115 LEU HD2% 1.0 1.8 5.0 1945 1653 A 115 LEU HD1% A 115 LEU HBx 1.0 1.8 5.0 1946 1654 A 115 LEU HD2% A 115 LEU HBx 1.0 1.8 5.0 1947 1655 A 116 GLU H A 115 LEU HBx 1.0 1.8 5.0 1948 1655 A 115 LEU HBy A 116 GLU H 1.0 1.8 5.0 1949 1656 A 116 GLU H A 116 GLU HA 1.0 1.8 3.5 1950 1657 A 116 GLU H A 116 GLU HBx 1.0 1.8 3.5 1951 1657 A 116 GLU H A 116 GLU HBy 1.0 1.8 3.5 1952 1658 A 116 GLU HA A 116 GLU HGy 1.0 1.8 5.0 1953 1659 A 116 GLU HA A 116 GLU HGx 1.0 1.8 5.0 1954 1660 A 41 GLN HE21 A 81 PHE HA 1.0 1.8 5.0 1955 1661 A 41 GLN HE22 A 81 PHE HA 1.0 1.8 5.0 1956 1662 A 47 ALA H A 106 VAL HG1% 1.0 1.8 5.0 1957 1663 A 43 GLN H A 113 LEU HD1% 1.0 1.8 5.0 1958 1664 A 13 TRP HE1 A 96 GLU HBy 1.0 1.8 5.0 1959 1664 A 13 TRP HE1 A 96 GLU HBx 1.0 1.8 5.0 1960 1665 A 46 ALA HB% A 43 GLN HE21 1.0 1.8 5.0 1961 1666 A 7 ILE HG2% A 99 LEU HD1% 1.0 1.8 5.0 1962 1667 A 52 GLY H A 101 LEU HD1% 1.0 1.8 5.0 1963 1668 A 52 GLY H A 101 LEU HD2% 1.0 1.8 5.0 1964 1669 A 53 GLN H A 101 LEU HD1% 1.0 1.8 5.0 1965 1670 A 53 GLN H A 101 LEU HD2% 1.0 1.8 5.0 1966 1671 A 97 ALA HB% A 112 HIS HE1 1.0 1.8 5.0 1967 1672 A 47 ALA H A 106 VAL HG1% 1.0 1.8 5.0 1968 1673 A 106 VAL HG1% A 47 ALA HA 1.0 1.8 5.0 1969 1674 A 106 VAL HG1% A 47 ALA HB% 1.0 1.8 5.0 1970 1675 A 47 ALA HA A 106 VAL HG2% 1.0 1.8 5.0 1971 1676 A 47 ALA HB% A 106 VAL HG2% 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 2 THR O A 63 ALA N 1.0 2.4 3.3 2 2 A 63 ALA H A 2 THR O 1.0 1.5 2.3 3 3 A 4 ILE O A 61 VAL N 1.0 2.4 3.3 4 4 A 61 VAL H A 4 ILE O 1.0 1.5 2.3 5 5 A 6 LYS O A 59 LEU N 1.0 2.4 3.3 6 6 A 59 LEU H A 6 LYS O 1.0 1.5 2.3 7 7 A 8 LEU O A 57 VAL N 1.0 2.4 3.3 8 8 A 57 VAL H A 8 LEU O 1.0 1.5 2.3 9 9 A 9 SER O A 13 TRP N 1.0 2.4 3.3 10 10 A 13 TRP H A 9 SER O 1.0 1.5 2.3 11 11 A 10 ARG O A 14 ASP N 1.0 2.4 3.3 12 12 A 14 ASP H A 10 ARG O 1.0 1.5 2.3 13 13 A 12 GLU O A 16 ALA N 1.0 2.4 3.3 14 14 A 16 ALA H A 12 GLU O 1.0 1.5 2.3 15 15 A 13 TRP O A 17 LYS N 1.0 2.4 3.3 16 16 A 17 LYS H A 13 TRP O 1.0 1.5 2.3 17 17 A 14 ASP O A 18 ALA N 1.0 2.4 3.3 18 18 A 18 ALA H A 14 ASP O 1.0 1.5 2.3 19 19 A 20 GLY O A 90 VAL N 1.0 2.4 3.3 20 20 A 90 VAL H A 20 GLY O 1.0 1.5 2.3 21 21 A 22 PHE O A 88 LEU N 1.0 2.4 3.3 22 22 A 88 LEU H A 22 PHE O 1.0 1.5 2.3 23 23 A 26 ALA O A 30 ALA N 1.0 2.4 3.3 24 24 A 30 ALA H A 26 ALA O 1.0 1.5 2.3 25 25 A 27 VAL O A 31 ASP N 1.0 2.4 3.3 26 26 A 31 ASP H A 27 VAL O 1.0 1.5 2.3 27 27 A 28 ASP O A 32 GLY N 1.0 2.4 3.3 28 28 A 32 GLY H A 28 ASP O 1.0 1.5 2.3 29 29 A 40 GLU O A 44 GLU N 1.0 2.4 3.3 30 30 A 44 GLU H A 40 GLU O 1.0 1.5 2.3 31 31 A 41 GLN O A 45 THR N 1.0 2.4 3.3 32 32 A 45 THR H A 41 GLN O 1.0 1.5 2.3 33 33 A 42 ALA O A 46 ALA N 1.0 2.4 3.3 34 34 A 46 ALA H A 42 ALA O 1.0 1.5 2.3 35 35 A 43 GLN O A 47 ALA N 1.0 2.4 3.3 36 36 A 47 ALA H A 43 GLN O 1.0 1.5 2.3 37 37 A 55 ASN O A 10 ARG N 1.0 2.4 3.3 38 38 A 10 ARG H A 55 ASN O 1.0 1.5 2.3 39 39 A 57 VAL O A 8 LEU N 1.0 2.4 3.3 40 40 A 8 LEU H A 57 VAL O 1.0 1.5 2.3 41 41 A 58 LEU O A 97 ALA N 1.0 2.4 3.3 42 42 A 97 ALA H A 58 LEU O 1.0 1.5 2.3 43 43 A 59 LEU O A 6 LYS N 1.0 2.4 3.3 44 44 A 6 LYS H A 59 LEU O 1.0 1.5 2.3 45 45 A 60 ALA O A 95 ARG N 1.0 2.4 3.3 46 46 A 95 ARG H A 60 ALA O 1.0 1.5 2.3 47 47 A 61 VAL O A 4 ILE N 1.0 2.4 3.3 48 48 A 4 ILE H A 61 VAL O 1.0 1.5 2.3 49 49 A 71 LYS O A 83 HIS N 1.0 2.4 3.3 50 50 A 83 HIS H A 71 LYS O 1.0 1.5 2.3 51 51 A 73 GLU O A 81 PHE N 1.0 2.4 3.3 52 52 A 81 PHE H A 73 GLU O 1.0 1.5 2.3 53 53 A 81 PHE O A 73 GLU N 1.0 2.4 3.3 54 54 A 73 GLU H A 81 PHE O 1.0 1.5 2.3 55 55 A 83 HIS O A 71 LYS N 1.0 2.4 3.3 56 56 A 71 LYS H A 83 HIS O 1.0 1.5 2.3 57 57 A 88 LEU O A 22 PHE N 1.0 2.4 3.3 58 58 A 22 PHE H A 88 LEU O 1.0 1.5 2.3 59 59 A 89 LEU O A 92 GLU N 1.0 2.4 3.3 60 60 A 92 GLU H A 89 LEU O 1.0 1.5 2.3 61 61 A 90 VAL O A 93 VAL N 1.0 2.4 3.3 62 62 A 93 VAL H A 90 VAL O 1.0 1.5 2.3 63 63 A 95 ARG O A 60 ALA N 1.0 2.4 3.3 64 64 A 60 ALA H A 95 ARG O 1.0 1.5 2.3 65 65 A 97 ALA O A 58 LEU N 1.0 2.4 3.3 66 66 A 58 LEU H A 97 ALA O 1.0 1.5 2.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 THR C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -180.0 -70.0 PHI 2 2 A 4 ILE C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 -180.0 -70.0 PHI 3 3 A 6 LYS C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -180.0 -70.0 PHI 4 4 A 8 LEU C A 9 SER N A 9 SER CA A 9 SER C 1.0 -180.0 -70.0 PHI 5 5 A 10 ARG C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -100.0 -30.0 PHI 6 6 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 GLU N 1.0 -75.0 5.0 PSI 7 7 A 11 ALA C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -100.0 -30.0 PHI 8 8 A 14 ASP C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -100.0 -30.0 PHI 9 9 A 25 SER C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -100.0 -30.0 PHI 10 10 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 VAL N 1.0 -75.0 5.0 PSI 11 11 A 26 ALA C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -100.0 -30.0 PHI 12 12 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 ASP N 1.0 -75.0 5.0 PSI 13 13 A 27 VAL C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 -100.0 -30.0 PHI 14 14 A 28 ASP N A 28 ASP CA A 28 ASP C A 29 LEU N 1.0 -75.0 5.0 PSI 15 15 A 28 ASP C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -100.0 -30.0 PHI 16 16 A 39 GLY C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -100.0 -30.0 PHI 17 17 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 GLN N 1.0 -75.0 5.0 PSI 18 18 A 40 GLU C A 41 GLN N A 41 GLN CA A 41 GLN C 1.0 -100.0 -30.0 PHI 19 19 A 41 GLN N A 41 GLN CA A 41 GLN C A 42 ALA N 1.0 -75.0 5.0 PSI 20 20 A 41 GLN C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -100.0 -30.0 PHI 21 21 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 GLN N 1.0 -75.0 5.0 PSI 22 22 A 42 ALA C A 43 GLN N A 43 GLN CA A 43 GLN C 1.0 -100.0 -30.0 PHI 23 23 A 47 ALA C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -100.0 -30.0 PHI 24 24 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 TRP N 1.0 -75.0 5.0 PSI 25 25 A 55 ASN C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -180.0 -70.0 PHI 26 26 A 61 VAL C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -180.0 -70.0 PHI 27 27 A 69 ASP C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -180.0 -70.0 PHI 28 28 A 71 LYS C A 72 TRP N A 72 TRP CA A 72 TRP C 1.0 -180.0 -70.0 PHI 29 29 A 73 GLU C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -180.0 -70.0 PHI 30 30 A 74 ALA N A 74 ALA CA A 74 ALA C A 75 SER N 1.0 60.0 180.0 PSI 31 31 A 79 ALA C A 80 ARG N A 80 ARG CA A 80 ARG C 1.0 -180.0 -70.0 PHI 32 32 A 83 HIS C A 84 LEU N A 84 LEU CA A 84 LEU C 1.0 -180.0 -70.0 PHI 33 33 A 84 LEU N A 84 LEU CA A 84 LEU C A 85 TYR N 1.0 60.0 180.0 PSI 34 34 A 95 ARG C A 96 GLU N A 96 GLU CA A 96 GLU C 1.0 -180.0 -70.0 PHI 35 35 A 108 GLN C A 109 LEU N A 109 LEU CA A 109 LEU C 1.0 -100.0 -30.0 PHI 36 36 A 109 LEU N A 109 LEU CA A 109 LEU C A 110 GLY N 1.0 -75.0 5.0 PSI 37 37 A 109 LEU C A 110 GLY N A 110 GLY CA A 110 GLY C 1.0 -100.0 -30.0 PHI 38 38 A 110 GLY N A 110 GLY CA A 110 GLY C A 111 ASP N 1.0 -75.0 5.0 PSI 39 39 A 110 GLY C A 111 ASP N A 111 ASP CA A 111 ASP C 1.0 -100.0 -30.0 PHI 40 40 A 111 ASP N A 111 ASP CA A 111 ASP C A 112 HIS N 1.0 -75.0 5.0 PSI 41 41 A 111 ASP C A 112 HIS N A 112 HIS CA A 112 HIS C 1.0 -100.0 -30.0 PHI 42 42 A 112 HIS N A 112 HIS CA A 112 HIS C A 113 LEU N 1.0 -75.0 5.0 PSI 43 43 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 ILE N 1.0 60.0 180.0 PSI 44 44 A 3 LEU C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -180.0 -70.0 PHI 45 45 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 TYR N 1.0 60.0 180.0 PSI 46 46 A 5 TYR N A 5 TYR CA A 5 TYR C A 6 LYS N 1.0 60.0 180.0 PSI 47 47 A 5 TYR C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -180.0 -70.0 PHI 48 48 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 ILE N 1.0 60.0 180.0 PSI 49 49 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 LEU N 1.0 60.0 180.0 PSI 50 50 A 7 ILE C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -180.0 -70.0 PHI 51 51 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 SER N 1.0 60.0 180.0 PSI 52 52 A 9 SER N A 9 SER CA A 9 SER C A 10 ARG N 1.0 60.0 180.0 PSI 53 53 A 9 SER C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -100.0 -30.0 PHI 54 54 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 ALA N 1.0 -75.0 5.0 PSI 55 55 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 TRP N 1.0 -75.0 5.0 PSI 56 56 A 12 GLU C A 13 TRP N A 13 TRP CA A 13 TRP C 1.0 -100.0 -30.0 PHI 57 57 A 13 TRP C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -100.0 -30.0 PHI 58 58 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 ALA N 1.0 -75.0 5.0 PSI 59 59 A 13 TRP N A 13 TRP CA A 13 TRP C A 14 ASP N 1.0 -75.0 5.0 PSI 60 60 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 ALA N 1.0 -75.0 5.0 PSI 61 61 A 15 ALA C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -100.0 -30.0 PHI 62 62 A 16 ALA C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -100.0 -30.0 PHI 63 63 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 LYS N 1.0 -75.0 5.0 PSI 64 64 A 17 LYS C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -100.0 -30.0 PHI 65 65 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 ALA N 1.0 -75.0 5.0 PSI 66 66 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 GLN N 1.0 -75.0 5.0 PSI 67 67 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 ALA N 1.0 -75.0 5.0 PSI 68 68 A 29 LEU C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -100.0 -30.0 PHI 69 69 A 30 ALA C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -100.0 -30.0 PHI 70 70 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 ASP N 1.0 -75.0 5.0 PSI 71 71 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 GLY N 1.0 -75.0 5.0 PSI 72 72 A 43 GLN N A 43 GLN CA A 43 GLN C A 44 GLU N 1.0 -75.0 5.0 PSI 73 73 A 43 GLN C A 44 GLU N A 44 GLU CA A 44 GLU C 1.0 -100.0 -30.0 PHI 74 74 A 44 GLU C A 45 THR N A 45 THR CA A 45 THR C 1.0 -100.0 -30.0 PHI 75 75 A 44 GLU N A 44 GLU CA A 44 GLU C A 45 THR N 1.0 -75.0 5.0 PSI 76 76 A 45 THR C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -100.0 -30.0 PHI 77 77 A 45 THR N A 45 THR CA A 45 THR C A 46 ALA N 1.0 -75.0 5.0 PSI 78 78 A 46 ALA C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -100.0 -30.0 PHI 79 79 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 ALA N 1.0 -75.0 5.0 PSI 80 80 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 LYS N 1.0 -75.0 5.0 PSI 81 81 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 VAL N 1.0 60.0 180.0 PSI 82 82 A 56 LEU C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -180.0 -70.0 PHI 83 83 A 57 VAL C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -180.0 -70.0 PHI 84 84 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 LEU N 1.0 60.0 180.0 PSI 85 85 A 58 LEU C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -180.0 -70.0 PHI 86 86 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 LEU N 1.0 60.0 180.0 PSI 87 87 A 59 LEU C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -180.0 -70.0 PHI 88 88 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 ALA N 1.0 60.0 180.0 PSI 89 89 A 60 ALA C A 61 VAL N A 61 VAL CA A 61 VAL C 1.0 -180.0 -70.0 PHI 90 90 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 GLU N 1.0 60.0 180.0 PSI 91 91 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 VAL N 1.0 60.0 180.0 PSI 92 92 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 ALA N 1.0 60.0 180.0 PSI 93 93 A 70 LEU N A 70 LEU CA A 70 LEU C A 71 LYS N 1.0 60.0 180.0 PSI 94 94 A 70 LEU C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -180.0 -70.0 PHI 95 95 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 TRP N 1.0 60.0 180.0 PSI 96 96 A 72 TRP N A 72 TRP CA A 72 TRP C A 73 GLU N 1.0 60.0 180.0 PSI 97 97 A 72 TRP C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -180.0 -70.0 PHI 98 98 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 ALA N 1.0 60.0 180.0 PSI 99 99 A 80 ARG N A 80 ARG CA A 80 ARG C A 81 PHE N 1.0 60.0 180.0 PSI 100 100 A 80 ARG C A 81 PHE N A 81 PHE CA A 81 PHE C 1.0 -180.0 -70.0 PHI 101 101 A 81 PHE N A 81 PHE CA A 81 PHE C A 82 PRO N 1.0 60.0 180.0 PSI 102 102 A 82 PRO C A 83 HIS N A 83 HIS CA A 83 HIS C 1.0 -180.0 -70.0 PHI 103 103 A 83 HIS N A 83 HIS CA A 83 HIS C A 84 LEU N 1.0 60.0 180.0 PSI 104 104 A 94 THR C A 95 ARG N A 95 ARG CA A 95 ARG C 1.0 -180.0 -70.0 PHI 105 105 A 95 ARG N A 95 ARG CA A 95 ARG C A 96 GLU N 1.0 60.0 180.0 PSI 106 106 A 96 GLU N A 96 GLU CA A 96 GLU C A 97 ALA N 1.0 60.0 180.0 PSI 107 107 A 96 GLU C A 97 ALA N A 97 ALA CA A 97 ALA C 1.0 -180.0 -70.0 PHI 108 108 A 97 ALA N A 97 ALA CA A 97 ALA C A 98 ASP N 1.0 60.0 180.0 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 9199.632 2 1C 4828.585 3 1H 11160.714 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 9199.632 2 1C 6038.647 3 1H 11160.714 stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 11198.208 2 1C 2838.490 3 1H 11160.714 stop_ save_