data_nef_c18831_2m0x save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -1 GLY start . false 2 A 0 SER middle . . 3 A 1 MET middle . . 4 A 2 GLN middle . . 5 A 3 ILE middle . . 6 A 4 PHE middle . . 7 A 5 VAL middle . . 8 A 6 LYS middle . . 9 A 7 GLY middle . false 10 A 8 LEU middle . . 11 A 9 THR middle . . 12 A 10 GLY middle . false 13 A 11 LYS middle . . 14 A 12 THR middle . . 15 A 13 THR middle . . 16 A 14 THR middle . . 17 A 15 LEU middle . . 18 A 16 GLU middle . . 19 A 17 VAL middle . . 20 A 18 GLU middle . . 21 A 19 PRO middle . false 22 A 20 SER middle . . 23 A 21 ASP middle . . 24 A 22 THR middle . . 25 A 23 ILE middle . . 26 A 24 GLU middle . . 27 A 25 ASN middle . . 28 A 26 VAL middle . . 29 A 27 LYS middle . . 30 A 28 ALA middle . . 31 A 29 LYS middle . . 32 A 30 ILE middle . . 33 A 31 GLN middle . . 34 A 32 ASP middle . . 35 A 33 LYS middle . . 36 A 34 THR middle . . 37 A 35 GLY middle . false 38 A 36 LEU middle . . 39 A 37 PRO middle . false 40 A 38 PRO middle . false 41 A 39 ASP middle . . 42 A 40 GLN middle . . 43 A 41 GLN middle . . 44 A 42 ARG middle . . 45 A 43 LEU middle . . 46 A 44 ILE middle . . 47 A 45 PHE middle . . 48 A 46 ALA middle . . 49 A 47 GLY middle . false 50 A 48 LYS middle . . 51 A 49 GLN middle . . 52 A 50 LEU middle . . 53 A 51 GLU middle . . 54 A 52 ASP middle . . 55 A 53 GLY middle . false 56 A 54 ARG middle . . 57 A 55 THR middle . . 58 A 56 LEU middle . . 59 A 57 SER middle . . 60 A 58 ASP middle . . 61 A 59 TYR middle . . 62 A 60 ASN middle . . 63 A 61 ILE middle . . 64 A 62 GLN middle . . 65 A 63 LYS middle . . 66 A 64 GLU middle . . 67 A 65 SER middle . . 68 A 66 THR middle . . 69 A 67 LEU middle . . 70 A 68 HIS middle . . 71 A 69 ILE middle . . 72 A 70 VAL middle . . 73 A 71 TRP middle . . 74 A 72 ARG middle . . 75 A 73 LEU middle . . 76 A 74 ARG middle . . 77 A 75 GLY middle . false 78 A 76 GLY end . false stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A -1 GLY HAx H 1 3.750 0.020 A -1 GLY HAy H 1 3.901 0.020 A -1 GLY CA C 13 42.960 0.3 A 0 SER HA H 1 3.927 0.020 A 0 SER HB2 H 1 4.648 0.020 A 0 SER HB3 H 1 4.648 0.020 A 0 SER C C 13 173.529 0.3 A 0 SER CA C 13 58.436 0.3 A 0 SER CB C 13 63.764 0.3 A 1 MET H H 1 9.107 0.020 A 1 MET HA H 1 4.783 0.020 A 1 MET HBx H 1 1.911 0.020 A 1 MET HBy H 1 1.990 0.020 A 1 MET HE% H 1 1.705 0.020 A 1 MET HG2 H 1 2.443 0.020 A 1 MET HG3 H 1 2.443 0.020 A 1 MET C C 13 172.696 0.3 A 1 MET CA C 13 53.960 0.3 A 1 MET CB C 13 35.065 0.3 A 1 MET CE C 13 17.047 0.3 A 1 MET CG C 13 31.121 0.3 A 1 MET N N 15 120.330 0.3 A 2 GLN H H 1 8.384 0.020 A 2 GLN HA H 1 5.364 0.020 A 2 GLN HBx H 1 1.700 0.020 A 2 GLN HBy H 1 1.880 0.020 A 2 GLN HG2 H 1 2.285 0.020 A 2 GLN HG3 H 1 2.285 0.020 A 2 GLN C C 13 175.892 0.3 A 2 GLN CA C 13 53.828 0.3 A 2 GLN CB C 13 29.948 0.3 A 2 GLN CG C 13 33.751 0.3 A 2 GLN N N 15 121.114 0.3 A 3 ILE H H 1 8.392 0.020 A 3 ILE HA H 1 4.310 0.020 A 3 ILE HB H 1 1.881 0.020 A 3 ILE HD1% H 1 0.659 0.020 A 3 ILE HG1x H 1 0.917 0.020 A 3 ILE HG1y H 1 1.140 0.020 A 3 ILE HG2% H 1 0.706 0.020 A 3 ILE C C 13 172.645 0.3 A 3 ILE CA C 13 58.775 0.3 A 3 ILE CB C 13 41.364 0.3 A 3 ILE CD1 C 13 13.731 0.3 A 3 ILE CG1 C 13 24.333 0.3 A 3 ILE CG2 C 13 17.397 0.3 A 3 ILE N N 15 114.990 0.3 A 4 PHE H H 1 8.731 0.020 A 4 PHE HA H 1 5.548 0.020 A 4 PHE HBy H 1 3.141 0.020 A 4 PHE HBx H 1 2.950 0.020 A 4 PHE HD1 H 1 7.120 0.020 A 4 PHE HD2 H 1 7.120 0.020 A 4 PHE HE1 H 1 7.311 0.020 A 4 PHE HE2 H 1 7.311 0.020 A 4 PHE HZ H 1 7.300 0.020 A 4 PHE C C 13 175.076 0.3 A 4 PHE CA C 13 55.060 0.3 A 4 PHE CB C 13 40.410 0.3 A 4 PHE CD1 C 13 131.070 0.3 A 4 PHE CD2 C 13 131.070 0.3 A 4 PHE CE1 C 13 130.550 0.3 A 4 PHE CE2 C 13 130.550 0.3 A 4 PHE CZ C 13 128.930 0.3 A 4 PHE N N 15 118.863 0.3 A 5 VAL H H 1 9.155 0.020 A 5 VAL HA H 1 5.055 0.020 A 5 VAL HB H 1 1.914 0.020 A 5 VAL HGx% H 1 0.799 0.020 A 5 VAL HGy% H 1 0.797 0.020 A 5 VAL C C 13 174.974 0.3 A 5 VAL CA C 13 59.904 0.3 A 5 VAL CB C 13 33.375 0.3 A 5 VAL CG1 C 13 20.957 0.3 A 5 VAL CG2 C 13 20.130 0.3 A 5 VAL N N 15 119.550 0.3 A 6 LYS H H 1 9.078 0.020 A 6 LYS HA H 1 4.977 0.020 A 6 LYS HBx H 1 1.474 0.020 A 6 LYS HBy H 1 1.792 0.020 A 6 LYS HE2 H 1 2.966 0.020 A 6 LYS HE3 H 1 2.966 0.020 A 6 LYS C C 13 176.045 0.3 A 6 LYS CA C 13 54.697 0.3 A 6 LYS CB C 13 34.391 0.3 A 6 LYS CD C 13 28.863 0.3 A 6 LYS CE C 13 41.104 0.3 A 6 LYS CG C 13 24.258 0.3 A 6 LYS N N 15 129.015 0.3 A 7 GLY H H 1 8.649 0.020 A 7 GLY HAx H 1 4.378 0.020 A 7 GLY HAy H 1 4.584 0.020 A 7 GLY C C 13 175.552 0.3 A 7 GLY CA C 13 43.924 0.3 A 7 GLY N N 15 111.500 0.3 A 8 LEU H H 1 8.562 0.020 A 8 LEU HA H 1 4.303 0.020 A 8 LEU HBx H 1 1.645 0.020 A 8 LEU HBy H 1 1.763 0.020 A 8 LEU HD1% H 1 0.867 0.020 A 8 LEU HD2% H 1 0.867 0.020 A 8 LEU HG H 1 1.709 0.020 A 8 LEU CA C 13 56.498 0.3 A 8 LEU CB C 13 41.779 0.3 A 8 LEU CD1 C 13 22.838 0.3 A 8 LEU N N 15 120.313 0.3 A 9 THR HA H 1 4.564 0.020 A 9 THR HB H 1 4.570 0.020 A 9 THR HG2% H 1 1.279 0.020 A 9 THR C C 13 175.093 0.3 A 9 THR CA C 13 60.451 0.3 A 9 THR CB C 13 69.020 0.3 A 9 THR CG2 C 13 21.130 0.3 A 10 GLY H H 1 8.123 0.020 A 10 GLY HAx H 1 3.735 0.020 A 10 GLY HAy H 1 4.336 0.020 A 10 GLY C C 13 174.039 0.3 A 10 GLY CA C 13 44.836 0.3 A 10 GLY N N 15 109.154 0.3 A 11 LYS H H 1 8.021 0.020 A 11 LYS HA H 1 4.800 0.020 A 11 LYS CA C 13 55.640 0.3 A 11 LYS CB C 13 32.390 0.3 A 11 LYS N N 15 120.968 0.3 A 12 THR HA H 1 5.006 0.020 A 12 THR HB H 1 4.043 0.020 A 12 THR HG2% H 1 1.174 0.020 A 12 THR C C 13 174.362 0.3 A 12 THR CA C 13 61.969 0.3 A 12 THR CB C 13 69.536 0.3 A 12 THR CG2 C 13 21.713 0.3 A 13 THR H H 1 9.028 0.020 A 13 THR HA H 1 4.721 0.020 A 13 THR HB H 1 3.995 0.020 A 13 THR HG2% H 1 1.166 0.020 A 13 THR C C 13 173.104 0.3 A 13 THR CA C 13 61.786 0.3 A 13 THR CB C 13 70.179 0.3 A 13 THR CG2 C 13 20.510 0.3 A 13 THR N N 15 124.317 0.3 A 14 THR H H 1 8.731 0.020 A 14 THR HA H 1 5.055 0.020 A 14 THR HB H 1 4.092 0.020 A 14 THR HG2% H 1 1.172 0.020 A 14 THR C C 13 173.274 0.3 A 14 THR CA C 13 61.284 0.3 A 14 THR CB C 13 69.510 0.3 A 14 THR CG2 C 13 21.425 0.3 A 14 THR N N 15 122.168 0.3 A 15 LEU H H 1 8.912 0.020 A 15 LEU HA H 1 4.772 0.020 A 15 LEU HB2 H 1 1.373 0.020 A 15 LEU HB3 H 1 1.373 0.020 A 15 LEU HD2% H 1 0.788 0.020 A 15 LEU HG H 1 1.504 0.020 A 15 LEU C C 13 174.702 0.3 A 15 LEU CA C 13 52.451 0.3 A 15 LEU CB C 13 46.271 0.3 A 15 LEU CD2 C 13 24.024 0.3 A 15 LEU CG C 13 26.316 0.3 A 15 LEU N N 15 125.117 0.3 A 16 GLU H H 1 8.224 0.020 A 16 GLU HA H 1 4.994 0.020 A 16 GLU HBx H 1 1.912 0.020 A 16 GLU HBy H 1 1.950 0.020 A 16 GLU HGx H 1 2.157 0.020 A 16 GLU HGy H 1 2.239 0.020 A 16 GLU C C 13 175.926 0.3 A 16 GLU CA C 13 55.060 0.3 A 16 GLU CB C 13 28.484 0.3 A 16 GLU CG C 13 35.891 0.3 A 16 GLU N N 15 122.278 0.3 A 17 VAL H H 1 8.881 0.020 A 17 VAL HA H 1 4.776 0.020 A 17 VAL HB H 1 2.454 0.020 A 17 VAL HGx% H 1 0.781 0.020 A 17 VAL HGy% H 1 0.515 0.020 A 17 VAL C C 13 173.767 0.3 A 17 VAL CA C 13 58.205 0.3 A 17 VAL CB C 13 35.869 0.3 A 17 VAL CG1 C 13 21.758 0.3 A 17 VAL CG2 C 13 18.707 0.3 A 17 VAL N N 15 116.959 0.3 A 18 GLU H H 1 8.492 0.020 A 18 GLU HA H 1 5.062 0.020 A 18 GLU HBx H 1 1.708 0.020 A 18 GLU HBy H 1 2.176 0.020 A 18 GLU HGx H 1 2.247 0.020 A 18 GLU HGy H 1 2.372 0.020 A 18 GLU CA C 13 52.483 0.3 A 18 GLU CB C 13 30.593 0.3 A 18 GLU CG C 13 35.260 0.3 A 18 GLU N N 15 118.016 0.3 A 19 PRO HA H 1 4.182 0.020 A 19 PRO HBx H 1 2.076 0.020 A 19 PRO HBy H 1 2.476 0.020 A 19 PRO HDx H 1 3.830 0.020 A 19 PRO HDy H 1 4.039 0.020 A 19 PRO HGx H 1 2.146 0.020 A 19 PRO HGy H 1 2.242 0.020 A 19 PRO C C 13 175.297 0.3 A 19 PRO CA C 13 64.890 0.3 A 19 PRO CB C 13 31.116 0.3 A 19 PRO CD C 13 50.056 0.3 A 19 PRO CG C 13 27.334 0.3 A 20 SER H H 1 7.103 0.020 A 20 SER HA H 1 4.437 0.020 A 20 SER HBx H 1 3.839 0.020 A 20 SER HBy H 1 4.210 0.020 A 20 SER C C 13 174.447 0.3 A 20 SER CA C 13 56.743 0.3 A 20 SER CB C 13 62.880 0.3 A 20 SER N N 15 103.828 0.3 A 21 ASP H H 1 8.045 0.020 A 21 ASP HA H 1 4.738 0.020 A 21 ASP HBy H 1 2.972 0.020 A 21 ASP HBx H 1 2.567 0.020 A 21 ASP C C 13 176.402 0.3 A 21 ASP CA C 13 55.390 0.3 A 21 ASP CB C 13 40.370 0.3 A 21 ASP N N 15 123.913 0.3 A 22 THR H H 1 7.967 0.020 A 22 THR HA H 1 4.938 0.020 A 22 THR HB H 1 4.843 0.020 A 22 THR HG2% H 1 1.338 0.020 A 22 THR C C 13 176.555 0.3 A 22 THR CA C 13 59.079 0.3 A 22 THR CB C 13 70.433 0.3 A 22 THR CG2 C 13 21.683 0.3 A 22 THR N N 15 109.500 0.3 A 23 ILE H H 1 8.628 0.020 A 23 ILE HA H 1 3.692 0.020 A 23 ILE HB H 1 2.517 0.020 A 23 ILE HD1% H 1 0.651 0.020 A 23 ILE HG1x H 1 1.377 0.020 A 23 ILE HG1y H 1 1.951 0.020 A 23 ILE HG2% H 1 0.840 0.020 A 23 ILE CA C 13 61.819 0.3 A 23 ILE CB C 13 33.920 0.3 A 23 ILE CD1 C 13 8.971 0.3 A 23 ILE CG1 C 13 27.120 0.3 A 23 ILE CG2 C 13 17.680 0.3 A 23 ILE N N 15 121.579 0.3 A 24 GLU HA H 1 3.954 0.020 A 24 GLU HBx H 1 2.066 0.020 A 24 GLU HBy H 1 2.102 0.020 A 24 GLU HG2 H 1 2.360 0.020 A 24 GLU HG3 H 1 2.360 0.020 A 24 GLU C C 13 179.002 0.3 A 24 GLU CA C 13 60.330 0.3 A 24 GLU CB C 13 27.940 0.3 A 24 GLU CG C 13 35.847 0.3 A 25 ASN H H 1 7.953 0.020 A 25 ASN HA H 1 4.620 0.020 A 25 ASN HBy H 1 3.229 0.020 A 25 ASN HBx H 1 2.904 0.020 A 25 ASN C C 13 178.322 0.3 A 25 ASN CA C 13 55.244 0.3 A 25 ASN CB C 13 37.760 0.3 A 25 ASN N N 15 121.468 0.3 A 26 VAL H H 1 8.312 0.020 A 26 VAL HA H 1 3.484 0.020 A 26 VAL HB H 1 2.390 0.020 A 26 VAL HGx% H 1 0.760 0.020 A 26 VAL HGy% H 1 1.055 0.020 A 26 VAL C C 13 177.812 0.3 A 26 VAL CA C 13 67.046 0.3 A 26 VAL CB C 13 30.300 0.3 A 26 VAL CG1 C 13 20.672 0.3 A 26 VAL CG2 C 13 23.350 0.3 A 26 VAL N N 15 122.536 0.3 A 27 LYS H H 1 8.742 0.020 A 27 LYS HA H 1 4.587 0.020 A 27 LYS HBx H 1 1.515 0.020 A 27 LYS HBy H 1 2.068 0.020 A 27 LYS HG2 H 1 1.648 0.020 A 27 LYS HG3 H 1 1.648 0.020 A 27 LYS C C 13 180.277 0.3 A 27 LYS CA C 13 58.883 0.3 A 27 LYS CB C 13 33.103 0.3 A 27 LYS CG C 13 25.800 0.3 A 27 LYS N N 15 119.303 0.3 A 28 ALA H H 1 7.877 0.020 A 28 ALA HA H 1 4.230 0.020 A 28 ALA HB% H 1 1.701 0.020 A 28 ALA C C 13 180.215 0.3 A 28 ALA CA C 13 54.840 0.3 A 28 ALA CB C 13 17.096 0.3 A 28 ALA N N 15 123.505 0.3 A 29 LYS H H 1 7.927 0.020 A 29 LYS HA H 1 4.250 0.020 A 29 LYS HBy H 1 2.182 0.020 A 29 LYS HBx H 1 1.998 0.020 A 29 LYS HG2 H 1 1.594 0.020 A 29 LYS HG3 H 1 1.594 0.020 A 29 LYS C C 13 180.229 0.3 A 29 LYS CA C 13 59.142 0.3 A 29 LYS CB C 13 32.520 0.3 A 29 LYS CD C 13 29.620 0.3 A 29 LYS CE C 13 41.920 0.3 A 29 LYS CG C 13 26.080 0.3 A 29 LYS N N 15 120.598 0.3 A 30 ILE H H 1 8.614 0.020 A 30 ILE HA H 1 3.580 0.020 A 30 ILE HB H 1 2.388 0.020 A 30 ILE HD1% H 1 0.856 0.020 A 30 ILE HG12 H 1 2.003 0.020 A 30 ILE HG13 H 1 2.003 0.020 A 30 ILE HG2% H 1 0.780 0.020 A 30 ILE C C 13 180.286 0.3 A 30 ILE CA C 13 65.377 0.3 A 30 ILE CB C 13 36.440 0.3 A 30 ILE CD1 C 13 14.640 0.3 A 30 ILE CG1 C 13 30.920 0.3 A 30 ILE CG2 C 13 17.038 0.3 A 30 ILE N N 15 121.068 0.3 A 31 GLN H H 1 8.756 0.020 A 31 GLN HA H 1 3.997 0.020 A 31 GLN HBx H 1 2.017 0.020 A 31 GLN HBy H 1 2.549 0.020 A 31 GLN HGx H 1 1.935 0.020 A 31 GLN HGy H 1 2.287 0.020 A 31 GLN C C 13 178.844 0.3 A 31 GLN CA C 13 59.186 0.3 A 31 GLN CB C 13 27.100 0.3 A 31 GLN CG C 13 32.810 0.3 A 31 GLN N N 15 126.930 0.3 A 32 ASP H H 1 8.033 0.020 A 32 ASP HA H 1 4.414 0.020 A 32 ASP HBx H 1 2.827 0.020 A 32 ASP HBy H 1 2.932 0.020 A 32 ASP C C 13 177.501 0.3 A 32 ASP CA C 13 57.031 0.3 A 32 ASP CB C 13 40.370 0.3 A 32 ASP N N 15 120.549 0.3 A 33 LYS H H 1 7.386 0.020 A 33 LYS HA H 1 4.333 0.020 A 33 LYS HB2 H 1 1.963 0.020 A 33 LYS HB3 H 1 1.963 0.020 A 33 LYS HG2 H 1 1.621 0.020 A 33 LYS HG3 H 1 1.621 0.020 A 33 LYS C C 13 178.038 0.3 A 33 LYS CA C 13 56.860 0.3 A 33 LYS CB C 13 33.360 0.3 A 33 LYS N N 15 113.834 0.3 A 34 THR H H 1 8.263 0.020 A 34 THR HA H 1 4.718 0.020 A 34 THR HB H 1 4.290 0.020 A 34 THR HG2% H 1 1.241 0.020 A 34 THR C C 13 175.819 0.3 A 34 THR CA C 13 62.179 0.3 A 34 THR CB C 13 72.477 0.3 A 34 THR CG2 C 13 20.359 0.3 A 34 THR N N 15 106.465 0.3 A 35 GLY H H 1 8.810 0.020 A 35 GLY HAy H 1 4.355 0.020 A 35 GLY HAx H 1 3.846 0.020 A 35 GLY C C 13 174.166 0.3 A 35 GLY CA C 13 44.606 0.3 A 35 GLY N N 15 112.744 0.3 A 36 LEU H H 1 7.614 0.020 A 36 LEU HA H 1 4.535 0.020 A 36 LEU HBy H 1 1.356 0.020 A 36 LEU HBx H 1 1.245 0.020 A 36 LEU HDx% H 1 0.573 0.020 A 36 LEU HDy% H 1 0.491 0.020 A 36 LEU HG H 1 1.325 0.020 A 36 LEU CA C 13 52.084 0.3 A 36 LEU CB C 13 42.445 0.3 A 36 LEU CD1 C 13 23.972 0.3 A 36 LEU CD2 C 13 24.177 0.3 A 36 LEU CG C 13 25.820 0.3 A 36 LEU N N 15 125.200 0.3 A 37 PRO HA H 1 4.664 0.020 A 37 PRO HBx H 1 1.991 0.020 A 37 PRO HBy H 1 2.464 0.020 A 37 PRO HDx H 1 3.520 0.020 A 37 PRO HDy H 1 4.407 0.020 A 37 PRO HGx H 1 2.096 0.020 A 37 PRO HGy H 1 2.160 0.020 A 37 PRO CA C 13 60.900 0.3 A 37 PRO CB C 13 30.870 0.3 A 37 PRO CD C 13 50.450 0.3 A 37 PRO CG C 13 27.490 0.3 A 38 PRO HA H 1 4.150 0.020 A 38 PRO HBx H 1 2.100 0.020 A 38 PRO HBy H 1 2.295 0.020 A 38 PRO HD2 H 1 3.786 0.020 A 38 PRO HD3 H 1 3.786 0.020 A 38 PRO HGx H 1 1.689 0.020 A 38 PRO HGy H 1 2.227 0.020 A 38 PRO C C 13 178.123 0.3 A 38 PRO CA C 13 65.601 0.3 A 38 PRO CB C 13 32.400 0.3 A 38 PRO CD C 13 50.480 0.3 A 38 PRO CG C 13 27.194 0.3 A 39 ASP H H 1 8.518 0.020 A 39 ASP HA H 1 4.477 0.020 A 39 ASP HBx H 1 2.723 0.020 A 39 ASP HBy H 1 2.827 0.020 A 39 ASP C C 13 176.823 0.3 A 39 ASP CA C 13 55.050 0.3 A 39 ASP CB C 13 39.150 0.3 A 39 ASP N N 15 113.380 0.3 A 40 GLN H H 1 7.864 0.020 A 40 GLN HA H 1 4.545 0.020 A 40 GLN HBx H 1 1.853 0.020 A 40 GLN HBy H 1 1.906 0.020 A 40 GLN HGx H 1 2.437 0.020 A 40 GLN HGy H 1 2.621 0.020 A 40 GLN C C 13 174.900 0.3 A 40 GLN CA C 13 54.940 0.3 A 40 GLN CB C 13 29.160 0.3 A 40 GLN CG C 13 33.722 0.3 A 40 GLN N N 15 116.933 0.3 A 41 GLN H H 1 7.446 0.020 A 41 GLN HA H 1 4.381 0.020 A 41 GLN HBx H 1 1.833 0.020 A 41 GLN HBy H 1 1.908 0.020 A 41 GLN HG2 H 1 2.469 0.020 A 41 GLN HG3 H 1 2.469 0.020 A 41 GLN C C 13 175.848 0.3 A 41 GLN CA C 13 55.276 0.3 A 41 GLN CB C 13 30.840 0.3 A 41 GLN CG C 13 32.314 0.3 A 41 GLN N N 15 118.389 0.3 A 42 ARG H H 1 8.408 0.020 A 42 ARG HA H 1 4.561 0.020 A 42 ARG HB2 H 1 1.733 0.020 A 42 ARG HB3 H 1 1.733 0.020 A 42 ARG HD2 H 1 3.209 0.020 A 42 ARG HD3 H 1 3.209 0.020 A 42 ARG HGx H 1 1.472 0.020 A 42 ARG HGy H 1 1.586 0.020 A 42 ARG C C 13 173.812 0.3 A 42 ARG CA C 13 54.933 0.3 A 42 ARG CB C 13 30.807 0.3 A 42 ARG CD C 13 42.889 0.3 A 42 ARG CG C 13 26.631 0.3 A 42 ARG N N 15 123.499 0.3 A 43 LEU H H 1 8.859 0.020 A 43 LEU HA H 1 5.361 0.020 A 43 LEU HBy H 1 1.637 0.020 A 43 LEU HBx H 1 1.268 0.020 A 43 LEU HDx% H 1 0.840 0.020 A 43 LEU HDy% H 1 0.841 0.020 A 43 LEU HG H 1 1.548 0.020 A 43 LEU C C 13 175.353 0.3 A 43 LEU CA C 13 52.573 0.3 A 43 LEU CB C 13 44.714 0.3 A 43 LEU CD1 C 13 24.839 0.3 A 43 LEU CD2 C 13 23.321 0.3 A 43 LEU CG C 13 26.842 0.3 A 43 LEU N N 15 124.567 0.3 A 44 ILE H H 1 9.206 0.020 A 44 ILE HA H 1 5.000 0.020 A 44 ILE HB H 1 1.768 0.020 A 44 ILE HD1% H 1 0.711 0.020 A 44 ILE HG1x H 1 1.135 0.020 A 44 ILE HG1y H 1 1.397 0.020 A 44 ILE HG2% H 1 0.740 0.020 A 44 ILE C C 13 175.579 0.3 A 44 ILE CA C 13 58.310 0.3 A 44 ILE CB C 13 40.528 0.3 A 44 ILE CD1 C 13 11.893 0.3 A 44 ILE CG1 C 13 27.299 0.3 A 44 ILE CG2 C 13 17.013 0.3 A 44 ILE N N 15 122.662 0.3 A 45 PHE H H 1 8.828 0.020 A 45 PHE HA H 1 5.238 0.020 A 45 PHE HBx H 1 2.862 0.020 A 45 PHE HBy H 1 3.070 0.020 A 45 PHE HD1 H 1 7.430 0.020 A 45 PHE HD2 H 1 7.430 0.020 A 45 PHE HE1 H 1 7.598 0.020 A 45 PHE HE2 H 1 7.598 0.020 A 45 PHE HZ H 1 7.520 0.020 A 45 PHE C C 13 174.561 0.3 A 45 PHE CA C 13 55.849 0.3 A 45 PHE CB C 13 42.890 0.3 A 45 PHE CD1 C 13 131.440 0.3 A 45 PHE CD2 C 13 131.440 0.3 A 45 PHE CE1 C 13 131.509 0.3 A 45 PHE CE2 C 13 131.509 0.3 A 45 PHE CZ C 13 129.360 0.3 A 45 PHE N N 15 124.709 0.3 A 46 ALA H H 1 9.010 0.020 A 46 ALA HA H 1 3.751 0.020 A 46 ALA HB% H 1 0.902 0.020 A 46 ALA C C 13 177.247 0.3 A 46 ALA CA C 13 51.858 0.3 A 46 ALA CB C 13 15.885 0.3 A 46 ALA N N 15 132.860 0.3 A 47 GLY H H 1 8.089 0.020 A 47 GLY HAx H 1 3.488 0.020 A 47 GLY HAy H 1 4.155 0.020 A 47 GLY C C 13 173.643 0.3 A 47 GLY CA C 13 44.703 0.3 A 47 GLY N N 15 102.630 0.3 A 48 LYS H H 1 8.028 0.020 A 48 LYS HA H 1 4.667 0.020 A 48 LYS HB2 H 1 1.972 0.020 A 48 LYS HB3 H 1 1.972 0.020 A 48 LYS HE2 H 1 3.226 0.020 A 48 LYS HE3 H 1 3.226 0.020 A 48 LYS HG2 H 1 1.636 0.020 A 48 LYS HG3 H 1 1.636 0.020 A 48 LYS C C 13 174.519 0.3 A 48 LYS CA C 13 54.001 0.3 A 48 LYS CB C 13 33.550 0.3 A 48 LYS CD C 13 28.671 0.3 A 48 LYS CE C 13 41.544 0.3 A 48 LYS CG C 13 23.957 0.3 A 48 LYS N N 15 122.237 0.3 A 49 GLN H H 1 8.643 0.020 A 49 GLN HA H 1 4.497 0.020 A 49 GLN HBy H 1 2.036 0.020 A 49 GLN HBx H 1 1.871 0.020 A 49 GLN HG2 H 1 2.308 0.020 A 49 GLN HG3 H 1 2.308 0.020 A 49 GLN C C 13 175.635 0.3 A 49 GLN CA C 13 55.390 0.3 A 49 GLN CB C 13 28.407 0.3 A 49 GLN CG C 13 33.947 0.3 A 49 GLN N N 15 123.092 0.3 A 50 LEU H H 1 8.544 0.020 A 50 LEU HA H 1 4.153 0.020 A 50 LEU HBx H 1 1.075 0.020 A 50 LEU HBy H 1 1.563 0.020 A 50 LEU HDx% H 1 0.580 0.020 A 50 LEU HDy% H 1 -0.090 0.020 A 50 LEU HG H 1 1.501 0.020 A 50 LEU C C 13 176.611 0.3 A 50 LEU CA C 13 53.571 0.3 A 50 LEU CB C 13 40.803 0.3 A 50 LEU CD1 C 13 25.320 0.3 A 50 LEU CD2 C 13 19.314 0.3 A 50 LEU CG C 13 24.324 0.3 A 50 LEU N N 15 125.507 0.3 A 51 GLU H H 1 8.410 0.020 A 51 GLU HA H 1 4.609 0.020 A 51 GLU HB2 H 1 2.048 0.020 A 51 GLU HB3 H 1 2.048 0.020 A 51 GLU HG2 H 1 2.382 0.020 A 51 GLU HG3 H 1 2.382 0.020 A 51 GLU C C 13 175.226 0.3 A 51 GLU CA C 13 55.480 0.3 A 51 GLU CB C 13 31.300 0.3 A 51 GLU CG C 13 36.126 0.3 A 51 GLU N N 15 123.223 0.3 A 52 ASP H H 1 8.202 0.020 A 52 ASP HA H 1 4.433 0.020 A 52 ASP HBx H 1 2.567 0.020 A 52 ASP HBy H 1 2.689 0.020 A 52 ASP CA C 13 55.992 0.3 A 52 ASP CB C 13 40.080 0.3 A 52 ASP N N 15 120.438 0.3 A 53 GLY HA2 H 1 4.126 0.020 A 53 GLY HA3 H 1 4.126 0.020 A 53 GLY C C 13 174.703 0.3 A 53 GLY CA C 13 44.809 0.3 A 54 ARG H H 1 7.485 0.020 A 54 ARG HA H 1 4.796 0.020 A 54 ARG HBx H 1 2.178 0.020 A 54 ARG HBy H 1 2.310 0.020 A 54 ARG HDx H 1 3.143 0.020 A 54 ARG HDy H 1 3.199 0.020 A 54 ARG HGx H 1 1.670 0.020 A 54 ARG HGy H 1 1.904 0.020 A 54 ARG C C 13 175.226 0.3 A 54 ARG CA C 13 53.567 0.3 A 54 ARG CB C 13 31.960 0.3 A 54 ARG CD C 13 42.390 0.3 A 54 ARG CG C 13 26.931 0.3 A 54 ARG N N 15 119.424 0.3 A 55 THR H H 1 8.915 0.020 A 55 THR HA H 1 5.330 0.020 A 55 THR HB H 1 4.547 0.020 A 55 THR HG2% H 1 1.185 0.020 A 55 THR C C 13 176.484 0.3 A 55 THR CA C 13 59.151 0.3 A 55 THR CB C 13 71.868 0.3 A 55 THR CG2 C 13 21.636 0.3 A 55 THR N N 15 109.146 0.3 A 56 LEU H H 1 8.192 0.020 A 56 LEU HA H 1 4.124 0.020 A 56 LEU HBx H 1 1.258 0.020 A 56 LEU HBy H 1 2.180 0.020 A 56 LEU HDx% H 1 0.853 0.020 A 56 LEU HDy% H 1 0.853 0.020 A 56 LEU HG H 1 1.789 0.020 A 56 LEU C C 13 180.611 0.3 A 56 LEU CA C 13 57.975 0.3 A 56 LEU CB C 13 39.776 0.3 A 56 LEU CD1 C 13 26.196 0.3 A 56 LEU CD2 C 13 22.469 0.3 A 56 LEU CG C 13 25.824 0.3 A 56 LEU N N 15 117.771 0.3 A 57 SER H H 1 8.423 0.020 A 57 SER HA H 1 4.323 0.020 A 57 SER HBx H 1 3.808 0.020 A 57 SER HBy H 1 3.900 0.020 A 57 SER C C 13 178.166 0.3 A 57 SER CA C 13 60.523 0.3 A 57 SER CB C 13 61.940 0.3 A 57 SER N N 15 113.230 0.3 A 58 ASP H H 1 7.945 0.020 A 58 ASP HA H 1 4.342 0.020 A 58 ASP HBy H 1 3.053 0.020 A 58 ASP HBx H 1 2.337 0.020 A 58 ASP C C 13 177.303 0.3 A 58 ASP CA C 13 56.860 0.3 A 58 ASP CB C 13 39.787 0.3 A 58 ASP N N 15 124.565 0.3 A 59 TYR H H 1 7.311 0.020 A 59 TYR HA H 1 4.696 0.020 A 59 TYR HBx H 1 2.599 0.020 A 59 TYR HBy H 1 3.511 0.020 A 59 TYR HD1 H 1 7.320 0.020 A 59 TYR HD2 H 1 7.320 0.020 A 59 TYR HE1 H 1 6.940 0.020 A 59 TYR HE2 H 1 6.940 0.020 A 59 TYR C C 13 174.590 0.3 A 59 TYR CA C 13 57.745 0.3 A 59 TYR CB C 13 39.430 0.3 A 59 TYR CD1 C 13 132.829 0.3 A 59 TYR CD2 C 13 132.829 0.3 A 59 TYR CE1 C 13 117.810 0.3 A 59 TYR CE2 C 13 117.810 0.3 A 59 TYR N N 15 115.843 0.3 A 60 ASN H H 1 8.161 0.020 A 60 ASN HA H 1 4.407 0.020 A 60 ASN HBx H 1 2.860 0.020 A 60 ASN HBy H 1 3.367 0.020 A 60 ASN C C 13 174.165 0.3 A 60 ASN CA C 13 53.583 0.3 A 60 ASN CB C 13 36.726 0.3 A 60 ASN N N 15 115.827 0.3 A 61 ILE H H 1 7.211 0.020 A 61 ILE HA H 1 3.403 0.020 A 61 ILE HB H 1 1.434 0.020 A 61 ILE HD1% H 1 0.478 0.020 A 61 ILE HG1x H 1 -0.346 0.020 A 61 ILE HG1y H 1 1.126 0.020 A 61 ILE HG2% H 1 0.549 0.020 A 61 ILE C C 13 174.378 0.3 A 61 ILE CA C 13 61.926 0.3 A 61 ILE CB C 13 36.259 0.3 A 61 ILE CD1 C 13 13.910 0.3 A 61 ILE CG1 C 13 27.730 0.3 A 61 ILE CG2 C 13 16.711 0.3 A 61 ILE N N 15 118.960 0.3 A 62 GLN H H 1 7.665 0.020 A 62 GLN HA H 1 4.588 0.020 A 62 GLN HBx H 1 1.942 0.020 A 62 GLN HBy H 1 2.296 0.020 A 62 GLN HGx H 1 2.357 0.020 A 62 GLN HGy H 1 2.418 0.020 A 62 GLN C C 13 175.611 0.3 A 62 GLN CA C 13 53.110 0.3 A 62 GLN CB C 13 31.093 0.3 A 62 GLN CG C 13 32.742 0.3 A 62 GLN N N 15 124.901 0.3 A 63 LYS H H 1 8.473 0.020 A 63 LYS HA H 1 4.034 0.020 A 63 LYS HBx H 1 1.950 0.020 A 63 LYS HBy H 1 2.110 0.020 A 63 LYS HD2 H 1 1.930 0.020 A 63 LYS HD3 H 1 1.930 0.020 A 63 LYS HE2 H 1 3.095 0.020 A 63 LYS HE3 H 1 3.095 0.020 A 63 LYS HG2 H 1 1.580 0.020 A 63 LYS HG3 H 1 1.580 0.020 A 63 LYS C C 13 175.880 0.3 A 63 LYS CA C 13 57.460 0.3 A 63 LYS CB C 13 31.860 0.3 A 63 LYS CD C 13 29.163 0.3 A 63 LYS CE C 13 41.546 0.3 A 63 LYS CG C 13 23.676 0.3 A 63 LYS N N 15 120.318 0.3 A 64 GLU H H 1 9.299 0.020 A 64 GLU HA H 1 3.426 0.020 A 64 GLU HBx H 1 2.467 0.020 A 64 GLU HBy H 1 2.588 0.020 A 64 GLU HG2 H 1 2.286 0.020 A 64 GLU HG3 H 1 2.286 0.020 A 64 GLU C C 13 175.202 0.3 A 64 GLU CA C 13 57.814 0.3 A 64 GLU CB C 13 25.451 0.3 A 64 GLU CG C 13 36.902 0.3 A 64 GLU N N 15 114.842 0.3 A 65 SER H H 1 7.778 0.020 A 65 SER HA H 1 4.712 0.020 A 65 SER HBx H 1 3.749 0.020 A 65 SER HBy H 1 4.000 0.020 A 65 SER C C 13 171.974 0.3 A 65 SER CA C 13 60.390 0.3 A 65 SER CB C 13 64.259 0.3 A 65 SER N N 15 115.119 0.3 A 66 THR H H 1 8.764 0.020 A 66 THR HA H 1 5.342 0.020 A 66 THR HB H 1 4.122 0.020 A 66 THR HG2% H 1 0.973 0.020 A 66 THR C C 13 173.567 0.3 A 66 THR CA C 13 61.850 0.3 A 66 THR CB C 13 69.772 0.3 A 66 THR CG2 C 13 20.932 0.3 A 66 THR N N 15 117.698 0.3 A 67 LEU H H 1 9.400 0.020 A 67 LEU HA H 1 5.142 0.020 A 67 LEU HBx H 1 1.647 0.020 A 67 LEU HBy H 1 1.695 0.020 A 67 LEU HD1% H 1 0.743 0.020 A 67 LEU HG H 1 1.800 0.020 A 67 LEU C C 13 175.119 0.3 A 67 LEU CA C 13 53.220 0.3 A 67 LEU CB C 13 43.799 0.3 A 67 LEU CD1 C 13 24.540 0.3 A 67 LEU CG C 13 28.530 0.3 A 67 LEU N N 15 127.655 0.3 A 68 HIS H H 1 9.128 0.020 A 68 HIS HA H 1 5.423 0.020 A 68 HIS HBy H 1 3.121 0.020 A 68 HIS HBx H 1 2.948 0.020 A 68 HIS HD2 H 1 6.970 0.020 A 68 HIS HE1 H 1 7.721 0.020 A 68 HIS C C 13 174.246 0.3 A 68 HIS CA C 13 55.082 0.3 A 68 HIS CB C 13 32.310 0.3 A 68 HIS CD2 C 13 118.985 0.3 A 68 HIS CE1 C 13 137.510 0.3 A 68 HIS N N 15 120.510 0.3 A 69 ILE H H 1 8.369 0.020 A 69 ILE HA H 1 5.173 0.020 A 69 ILE HB H 1 1.580 0.020 A 69 ILE HD1% H 1 0.767 0.020 A 69 ILE HG1y H 1 0.916 0.020 A 69 ILE HG1x H 1 0.900 0.020 A 69 ILE HG2% H 1 0.842 0.020 A 69 ILE C C 13 174.800 0.3 A 69 ILE CA C 13 58.474 0.3 A 69 ILE CB C 13 40.092 0.3 A 69 ILE CD1 C 13 14.074 0.3 A 69 ILE CG1 C 13 27.430 0.3 A 69 ILE CG2 C 13 16.156 0.3 A 69 ILE N N 15 120.349 0.3 A 70 VAL H H 1 8.944 0.020 A 70 VAL HA H 1 4.367 0.020 A 70 VAL HB H 1 2.073 0.020 A 70 VAL HGx% H 1 1.015 0.020 A 70 VAL HGy% H 1 0.937 0.020 A 70 VAL C C 13 174.467 0.3 A 70 VAL CA C 13 60.299 0.3 A 70 VAL CB C 13 33.550 0.3 A 70 VAL CG1 C 13 20.886 0.3 A 70 VAL CG2 C 13 20.389 0.3 A 70 VAL N N 15 126.551 0.3 A 71 TRP H H 1 8.425 0.020 A 71 TRP HA H 1 5.108 0.020 A 71 TRP HBx H 1 3.219 0.020 A 71 TRP HBy H 1 3.308 0.020 A 71 TRP HD1 H 1 7.370 0.020 A 71 TRP HE1 H 1 10.370 0.020 A 71 TRP HE3 H 1 7.620 0.020 A 71 TRP HH2 H 1 7.247 0.020 A 71 TRP HZ2 H 1 7.518 0.020 A 71 TRP HZ3 H 1 7.144 0.020 A 71 TRP C C 13 175.797 0.3 A 71 TRP CA C 13 55.745 0.3 A 71 TRP CB C 13 30.099 0.3 A 71 TRP CD1 C 13 125.750 0.3 A 71 TRP CE3 C 13 120.050 0.3 A 71 TRP CH2 C 13 123.940 0.3 A 71 TRP CZ2 C 13 113.950 0.3 A 71 TRP CZ3 C 13 121.160 0.3 A 71 TRP N N 15 125.438 0.3 A 71 TRP NE1 N 15 129.270 0.3 A 72 ARG H H 1 8.261 0.020 A 72 ARG HA H 1 4.283 0.020 A 72 ARG HB2 H 1 1.589 0.020 A 72 ARG HB3 H 1 1.589 0.020 A 72 ARG HD2 H 1 3.110 0.020 A 72 ARG HD3 H 1 3.110 0.020 A 72 ARG HG2 H 1 1.534 0.020 A 72 ARG HG3 H 1 1.534 0.020 A 72 ARG C C 13 174.661 0.3 A 72 ARG CA C 13 55.057 0.3 A 72 ARG CB C 13 30.560 0.3 A 72 ARG N N 15 125.700 0.3 A 73 LEU H H 1 7.901 0.020 A 73 LEU HA H 1 4.220 0.020 A 73 LEU HBx H 1 1.433 0.020 A 73 LEU HBy H 1 1.487 0.020 A 73 LEU HD1% H 1 0.866 0.020 A 73 LEU HD2% H 1 0.866 0.020 A 73 LEU HG H 1 1.530 0.020 A 73 LEU C C 13 177.072 0.3 A 73 LEU CA C 13 54.630 0.3 A 73 LEU CB C 13 41.642 0.3 A 73 LEU CD1 C 13 22.972 0.3 A 73 LEU CD2 C 13 24.168 0.3 A 73 LEU CG C 13 26.420 0.3 A 73 LEU N N 15 123.370 0.3 A 74 ARG H H 1 8.211 0.020 A 74 ARG HA H 1 4.287 0.020 A 74 ARG HBx H 1 1.831 0.020 A 74 ARG HBy H 1 1.902 0.020 A 74 ARG HD2 H 1 3.259 0.020 A 74 ARG HD3 H 1 3.259 0.020 A 74 ARG HG2 H 1 1.668 0.020 A 74 ARG HG3 H 1 1.668 0.020 A 74 ARG C C 13 176.609 0.3 A 74 ARG CA C 13 55.770 0.3 A 74 ARG CB C 13 29.900 0.3 A 74 ARG N N 15 121.200 0.3 A 75 GLY H H 1 8.434 0.020 A 75 GLY HAx H 1 4.001 0.020 A 75 GLY HAy H 1 4.014 0.020 A 75 GLY C C 13 173.520 0.3 A 75 GLY CA C 13 44.581 0.3 A 75 GLY N N 15 110.833 0.3 A 76 GLY H H 1 7.966 0.020 A 76 GLY HAx H 1 3.789 0.020 A 76 GLY HAy H 1 3.837 0.020 A 76 GLY CA C 13 45.438 0.3 A 76 GLY N N 15 115.132 0.3 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 1 MET HA A 1 MET HBx 1.0 1.8 3.1 2 1 A 1 MET HA A 1 MET HBy 1.0 1.8 3.1 3 2 A 1 MET HA A 1 MET HBx 1.0 1.8 3.1 4 2 A 1 MET HA A 1 MET HBy 1.0 1.8 3.1 5 3 A 1 MET HBy A 1 MET HG2 1.0 1.8 3.1 6 3 A 1 MET HBx A 1 MET HG2 1.0 1.8 3.1 7 3 A 1 MET HG3 A 1 MET HBx 1.0 1.8 3.1 8 3 A 1 MET HBy A 1 MET HG3 1.0 1.8 3.1 9 4 A 1 MET HE% A 17 VAL HGy% 1.0 1.8 6.1 10 5 A 1 MET HE% A 3 ILE HG2% 1.0 1.8 6.1 11 6 A 1 MET HE% A 1 MET HG2 1.0 1.8 4.6 12 6 A 1 MET HG3 A 1 MET HE% 1.0 1.8 4.6 13 7 A 1 MET HE% A 17 VAL HB 1.0 1.8 6.1 14 8 A 2 GLN H A 2 GLN HBx 1.0 1.8 4.6 15 9 A 2 GLN H A 2 GLN HBy 1.0 1.8 4.6 16 10 A 2 GLN H A 2 GLN HG2 1.0 1.8 4.6 17 10 A 2 GLN H A 2 GLN HG3 1.0 1.8 4.6 18 11 A 2 GLN H A 63 LYS HBx 1.0 1.8 6.1 19 11 A 2 GLN H A 63 LYS HBy 1.0 1.8 6.1 20 12 A 2 GLN H A 63 LYS HG2 1.0 1.8 4.6 21 12 A 2 GLN H A 63 LYS HG3 1.0 1.8 4.6 22 13 A 2 GLN H A 64 GLU HG2 1.0 1.8 6.1 23 13 A 2 GLN H A 64 GLU HG3 1.0 1.8 6.1 24 14 A 2 GLN HBx A 2 GLN HA 1.0 1.8 3.1 25 15 A 2 GLN HBy A 2 GLN HA 1.0 1.8 3.1 26 16 A 2 GLN HA A 2 GLN HG2 1.0 1.8 4.6 27 16 A 2 GLN HG3 A 2 GLN HA 1.0 1.8 4.6 28 17 A 2 GLN HA A 3 ILE H 1.0 1.8 3.1 29 18 A 2 GLN HA A 3 ILE HG1x 1.0 1.8 4.6 30 18 A 2 GLN HA A 3 ILE HG1y 1.0 1.8 4.6 31 19 A 3 ILE HG2% A 2 GLN HA 1.0 1.8 4.6 32 20 A 2 GLN HA A 16 GLU HA 1.0 1.8 4.6 33 21 A 17 VAL HGy% A 2 GLN HA 1.0 1.8 4.6 34 22 A 2 GLN HBx A 16 GLU HA 1.0 1.8 6.1 35 23 A 3 ILE H A 3 ILE HA 1.0 1.8 3.1 36 24 A 3 ILE H A 3 ILE HD1% 1.0 1.8 6.1 37 25 A 3 ILE H A 3 ILE HG1x 1.0 1.8 3.1 38 25 A 3 ILE H A 3 ILE HG1y 1.0 1.8 3.1 39 26 A 3 ILE H A 3 ILE HG1x 1.0 1.8 3.1 40 26 A 3 ILE H A 3 ILE HG1y 1.0 1.8 3.1 41 27 A 3 ILE H A 15 LEU H 1.0 1.8 4.6 42 28 A 3 ILE H A 15 LEU HB2 1.0 1.8 6.1 43 28 A 3 ILE H A 15 LEU HB3 1.0 1.8 6.1 44 29 A 3 ILE HA A 3 ILE HB 1.0 1.8 3.1 45 30 A 3 ILE HA A 3 ILE HD1% 1.0 1.8 6.1 46 31 A 3 ILE HA A 3 ILE HG1x 1.0 1.8 4.6 47 31 A 3 ILE HG1y A 3 ILE HA 1.0 1.8 4.6 48 32 A 3 ILE HG2% A 3 ILE HA 1.0 1.8 3.1 49 33 A 3 ILE HA A 4 PHE H 1.0 1.8 3.1 50 34 A 3 ILE HA A 63 LYS HA 1.0 1.8 6.1 51 35 A 3 ILE HA A 63 LYS HG2 1.0 1.8 6.1 52 35 A 63 LYS HG3 A 3 ILE HA 1.0 1.8 6.1 53 36 A 3 ILE HA A 64 GLU H 1.0 1.8 4.6 54 37 A 3 ILE HA A 64 GLU HA 1.0 1.8 3.1 55 38 A 3 ILE HA A 64 GLU HG2 1.0 1.8 6.1 56 38 A 64 GLU HG3 A 3 ILE HA 1.0 1.8 6.1 57 39 A 3 ILE HA A 65 SER H 1.0 1.8 4.6 58 40 A 3 ILE HA A 65 SER HBx 1.0 1.8 6.1 59 41 A 3 ILE HA A 65 SER HBy 1.0 1.8 6.1 60 42 A 3 ILE HD1% A 3 ILE HB 1.0 1.8 3.1 61 43 A 3 ILE HB A 3 ILE HG1x 1.0 1.8 3.1 62 43 A 3 ILE HG1y A 3 ILE HB 1.0 1.8 3.1 63 44 A 3 ILE HB A 4 PHE HA 1.0 1.8 6.1 64 45 A 3 ILE HB A 65 SER HBx 1.0 1.8 4.6 65 46 A 3 ILE HB A 65 SER HBy 1.0 1.8 6.1 66 47 A 2 GLN HA A 3 ILE HD1% 1.0 1.8 6.1 67 48 A 3 ILE HD1% A 4 PHE H 1.0 1.8 6.1 68 49 A 3 ILE HD1% A 5 VAL HA 1.0 1.8 6.1 69 50 A 3 ILE HD1% A 15 LEU H 1.0 1.8 6.1 70 51 A 3 ILE HD1% A 17 VAL HB 1.0 1.8 6.1 71 52 A 3 ILE HD1% A 3 ILE HG1x 1.0 1.8 3.1 72 52 A 3 ILE HG1y A 3 ILE HD1% 1.0 1.8 3.1 73 53 A 4 PHE H A 3 ILE HG1x 1.0 1.8 4.6 74 53 A 3 ILE HG1y A 4 PHE H 1.0 1.8 4.6 75 54 A 15 LEU H A 3 ILE HG1x 1.0 1.8 4.6 76 54 A 3 ILE HG1y A 15 LEU H 1.0 1.8 4.6 77 55 A 15 LEU HG A 3 ILE HG1x 1.0 1.8 6.1 78 55 A 3 ILE HG1y A 15 LEU HG 1.0 1.8 6.1 79 56 A 3 ILE HG1x A 15 LEU HB2 1.0 1.8 4.6 80 56 A 3 ILE HG1y A 15 LEU HB2 1.0 1.8 4.6 81 56 A 15 LEU HB3 A 3 ILE HG1x 1.0 1.8 4.6 82 56 A 3 ILE HG1y A 15 LEU HB3 1.0 1.8 4.6 83 57 A 3 ILE HG2% A 3 ILE HB 1.0 1.8 3.1 84 58 A 3 ILE HG2% A 4 PHE H 1.0 1.8 4.6 85 59 A 17 VAL HGy% A 3 ILE HG2% 1.0 1.8 4.6 86 60 A 3 ILE HG2% A 63 LYS HA 1.0 1.8 4.6 87 61 A 3 ILE HG2% A 64 GLU HA 1.0 1.8 6.1 88 62 A 3 ILE HG2% A 65 SER HBx 1.0 1.8 4.6 89 63 A 3 ILE HG2% A 65 SER HBy 1.0 1.8 4.6 90 64 A 3 ILE HB A 4 PHE H 1.0 1.8 3.1 91 65 A 4 PHE H A 4 PHE HBy 1.0 1.8 3.1 92 66 A 4 PHE H A 4 PHE HBx 1.0 1.8 4.6 93 67 A 4 PHE H A 66 THR HA 1.0 1.8 4.6 94 68 A 4 PHE HA A 4 PHE HBy 1.0 1.8 4.6 95 69 A 4 PHE HA A 4 PHE HBx 1.0 1.8 3.1 96 70 A 4 PHE HA A 4 PHE HD% 1.0 1.8 4.6 97 71 A 4 PHE HA A 5 VAL H 1.0 1.8 3.1 98 72 A 4 PHE HA A 5 VAL HB 1.0 1.8 6.1 99 73 A 4 PHE HA A 5 VAL HGy% 1.0 1.8 4.6 100 73 A 4 PHE HA A 5 VAL HGx% 1.0 1.8 4.6 101 74 A 4 PHE HA A 14 THR HA 1.0 1.8 4.6 102 75 A 4 PHE HA A 14 THR HB 1.0 1.8 6.1 103 76 A 4 PHE HA A 14 THR HG2% 1.0 1.8 6.1 104 77 A 4 PHE HA A 15 LEU HG 1.0 1.8 6.1 105 78 A 4 PHE HBy A 4 PHE HD% 1.0 1.8 3.1 106 79 A 5 VAL HA A 4 PHE HBy 1.0 1.8 6.1 107 80 A 4 PHE HBy A 12 THR HG2% 1.0 1.8 6.1 108 81 A 4 PHE HBy A 66 THR HA 1.0 1.8 4.6 109 82 A 4 PHE HBy A 66 THR HG2% 1.0 1.8 6.1 110 83 A 4 PHE HBx A 4 PHE HD% 1.0 1.8 3.1 111 84 A 5 VAL HA A 4 PHE HBx 1.0 1.8 6.1 112 85 A 4 PHE HBx A 12 THR HG2% 1.0 1.8 4.6 113 86 A 4 PHE HBx A 66 THR HA 1.0 1.8 6.1 114 87 A 4 PHE HZ A 64 GLU HG2 1.0 1.8 6.1 115 87 A 64 GLU HG3 A 4 PHE HZ 1.0 1.8 6.1 116 88 A 4 PHE HD% A 14 THR HA 1.0 1.8 6.1 117 89 A 4 PHE HD% A 14 THR HB 1.0 1.8 6.1 118 90 A 4 PHE HD% A 14 THR HG2% 1.0 1.8 4.6 119 91 A 64 GLU HA A 4 PHE HD% 1.0 1.8 3.1 120 92 A 4 PHE HD% A 64 GLU HBx 1.0 1.8 4.6 121 92 A 4 PHE HD% A 64 GLU HBy 1.0 1.8 4.6 122 93 A 4 PHE HD% A 64 GLU HBx 1.0 1.8 4.6 123 93 A 4 PHE HD% A 64 GLU HBy 1.0 1.8 4.6 124 94 A 4 PHE HD% A 64 GLU HG2 1.0 1.8 6.1 125 94 A 64 GLU HG3 A 4 PHE HD% 1.0 1.8 6.1 126 95 A 66 THR HA A 4 PHE HD% 1.0 1.8 6.1 127 96 A 4 PHE HA A 4 PHE HE% 1.0 1.8 6.1 128 97 A 4 PHE HBy A 4 PHE HE% 1.0 1.8 6.1 129 98 A 4 PHE HBx A 4 PHE HE% 1.0 1.8 6.1 130 99 A 14 THR HA A 4 PHE HE% 1.0 1.8 6.1 131 100 A 14 THR HB A 4 PHE HE% 1.0 1.8 6.1 132 101 A 14 THR HG2% A 4 PHE HE% 1.0 1.8 4.6 133 102 A 64 GLU HA A 4 PHE HE% 1.0 1.8 4.6 134 103 A 4 PHE HE% A 64 GLU HBx 1.0 1.8 4.6 135 103 A 64 GLU HBy A 4 PHE HE% 1.0 1.8 4.6 136 104 A 4 PHE HE% A 64 GLU HG2 1.0 1.8 4.6 137 104 A 64 GLU HG3 A 4 PHE HE% 1.0 1.8 4.6 138 105 A 4 PHE HBx A 5 VAL H 1.0 1.8 4.6 139 106 A 5 VAL HA A 5 VAL H 1.0 1.8 3.1 140 107 A 5 VAL H A 5 VAL HB 1.0 1.8 4.6 141 108 A 5 VAL H A 5 VAL HGy% 1.0 1.8 3.1 142 108 A 5 VAL H A 5 VAL HGx% 1.0 1.8 3.1 143 109 A 5 VAL H A 12 THR HG2% 1.0 1.8 6.1 144 110 A 5 VAL HA A 5 VAL HB 1.0 1.8 3.1 145 111 A 5 VAL HA A 5 VAL HGy% 1.0 1.8 3.1 146 111 A 5 VAL HA A 5 VAL HGx% 1.0 1.8 3.1 147 112 A 5 VAL HA A 66 THR HG2% 1.0 1.8 6.1 148 113 A 5 VAL HA A 67 LEU H 1.0 1.8 3.1 149 114 A 5 VAL HA A 67 LEU HBx 1.0 1.8 4.6 150 114 A 5 VAL HA A 67 LEU HBy 1.0 1.8 4.6 151 115 A 5 VAL HB A 5 VAL HGx% 1.0 1.8 3.1 152 116 A 5 VAL HB A 5 VAL HGy% 1.0 1.8 3.1 153 117 A 5 VAL HB A 13 THR HB 1.0 1.8 4.6 154 118 A 5 VAL HB A 13 THR HG2% 1.0 1.8 6.1 155 119 A 13 THR HB A 5 VAL HGy% 1.0 1.8 3.1 156 120 A 13 THR HG2% A 5 VAL HGy% 1.0 1.8 4.6 157 121 A 15 LEU HB3 A 5 VAL HGy% 1.0 1.8 6.1 158 121 A 5 VAL HGy% A 15 LEU HB2 1.0 1.8 6.1 159 122 A 13 THR HA A 5 VAL HGy% 1.0 1.8 6.1 160 122 A 5 VAL HGx% A 13 THR HA 1.0 1.8 6.1 161 123 A 5 VAL HGx% A 67 LEU HBx 1.0 1.8 4.6 162 123 A 67 LEU HBy A 5 VAL HGy% 1.0 1.8 4.6 163 123 A 5 VAL HGx% A 67 LEU HBy 1.0 1.8 4.6 164 123 A 5 VAL HGy% A 67 LEU HBx 1.0 1.8 4.6 165 124 A 5 VAL HGx% A 67 LEU HBx 1.0 1.8 4.6 166 124 A 67 LEU HBy A 5 VAL HGy% 1.0 1.8 4.6 167 124 A 5 VAL HGx% A 67 LEU HBy 1.0 1.8 4.6 168 124 A 5 VAL HGy% A 67 LEU HBx 1.0 1.8 4.6 169 125 A 5 VAL HA A 6 LYS H 1.0 1.8 3.1 170 126 A 6 LYS H A 6 LYS HBx 1.0 1.8 3.1 171 126 A 6 LYS H A 6 LYS HBy 1.0 1.8 3.1 172 127 A 66 THR HG2% A 6 LYS H 1.0 1.8 4.6 173 128 A 6 LYS H A 67 LEU HBx 1.0 1.8 4.6 174 128 A 67 LEU HBy A 6 LYS H 1.0 1.8 4.6 175 129 A 6 LYS H A 67 LEU HD1% 1.0 1.8 6.1 176 129 A 6 LYS H A 67 LEU HD21 1.0 1.8 6.1 177 130 A 6 LYS H A 68 HIS HA 1.0 1.8 4.6 178 131 A 6 LYS HA A 6 LYS HBx 1.0 1.8 3.1 179 131 A 6 LYS HBy A 6 LYS HA 1.0 1.8 3.1 180 132 A 6 LYS HA A 6 LYS HBx 1.0 1.8 3.1 181 132 A 6 LYS HBy A 6 LYS HA 1.0 1.8 3.1 182 133 A 12 THR HG2% A 6 LYS HA 1.0 1.8 4.6 183 134 A 66 THR HG2% A 6 LYS HBx 1.0 1.8 4.6 184 134 A 66 THR HG2% A 6 LYS HBy 1.0 1.8 4.6 185 135 A 66 THR HG2% A 6 LYS HBx 1.0 1.8 4.6 186 135 A 66 THR HG2% A 6 LYS HBy 1.0 1.8 4.6 187 136 A 68 HIS HA A 6 LYS HBx 1.0 1.8 4.6 188 136 A 6 LYS HBy A 68 HIS HA 1.0 1.8 4.6 189 137 A 68 HIS HA A 6 LYS HBx 1.0 1.8 4.6 190 137 A 6 LYS HBy A 68 HIS HA 1.0 1.8 4.6 191 138 A 7 GLY H A 7 GLY HAx 1.0 1.8 3.1 192 139 A 69 ILE HB A 7 GLY HAx 1.0 1.8 4.6 193 140 A 69 ILE HG2% A 7 GLY HAx 1.0 1.8 6.1 194 140 A 7 GLY HAy A 69 ILE HG2% 1.0 1.8 6.1 195 141 A 8 LEU H A 7 GLY HAx 1.0 1.8 3.1 196 142 A 8 LEU H A 8 LEU HG 1.0 1.8 3.1 197 143 A 8 LEU HG A 8 LEU HA 1.0 1.8 3.1 198 144 A 8 LEU HA A 8 LEU HD1% 1.0 1.8 4.6 199 144 A 8 LEU HA A 8 LEU HD2% 1.0 1.8 4.6 200 145 A 7 GLY HAy A 8 LEU HBy 1.0 1.8 6.1 201 145 A 7 GLY HAy A 8 LEU HBx 1.0 1.8 6.1 202 146 A 7 GLY HAy A 8 LEU HBy 1.0 1.8 6.1 203 146 A 7 GLY HAy A 8 LEU HBx 1.0 1.8 6.1 204 147 A 8 LEU HA A 8 LEU HBx 1.0 1.8 3.1 205 147 A 8 LEU HA A 8 LEU HBy 1.0 1.8 3.1 206 148 A 8 LEU HA A 8 LEU HBx 1.0 1.8 3.1 207 148 A 8 LEU HA A 8 LEU HBy 1.0 1.8 3.1 208 149 A 8 LEU HBx A 8 LEU HD1% 1.0 1.8 3.1 209 149 A 8 LEU HBy A 8 LEU HD1% 1.0 1.8 3.1 210 149 A 8 LEU HD2% A 8 LEU HBx 1.0 1.8 3.1 211 149 A 8 LEU HD2% A 8 LEU HBy 1.0 1.8 3.1 212 150 A 8 LEU HBx A 8 LEU HD1% 1.0 1.8 3.1 213 150 A 8 LEU HBy A 8 LEU HD1% 1.0 1.8 3.1 214 150 A 8 LEU HD2% A 8 LEU HBx 1.0 1.8 3.1 215 150 A 8 LEU HD2% A 8 LEU HBy 1.0 1.8 3.1 216 151 A 71 TRP HE3 A 8 LEU HBx 1.0 1.8 6.1 217 151 A 8 LEU HBy A 71 TRP HE3 1.0 1.8 6.1 218 152 A 71 TRP H A 8 LEU HD1% 1.0 1.8 4.6 219 152 A 8 LEU HD2% A 71 TRP H 1.0 1.8 4.6 220 153 A 71 TRP HA A 8 LEU HD1% 1.0 1.8 6.1 221 153 A 8 LEU HD2% A 71 TRP HA 1.0 1.8 6.1 222 154 A 71 TRP HE3 A 8 LEU HD1% 1.0 1.8 4.6 223 154 A 8 LEU HD2% A 71 TRP HE3 1.0 1.8 4.6 224 155 A 8 LEU HD1% A 71 TRP HBx 1.0 1.8 4.6 225 155 A 8 LEU HD2% A 71 TRP HBx 1.0 1.8 4.6 226 155 A 71 TRP HBy A 8 LEU HD1% 1.0 1.8 4.6 227 155 A 8 LEU HD2% A 71 TRP HBy 1.0 1.8 4.6 228 156 A 8 LEU HD1% A 71 TRP HBx 1.0 1.8 4.6 229 156 A 8 LEU HD2% A 71 TRP HBx 1.0 1.8 4.6 230 156 A 71 TRP HBy A 8 LEU HD1% 1.0 1.8 4.6 231 156 A 8 LEU HD2% A 71 TRP HBy 1.0 1.8 4.6 232 157 A 8 LEU HD1% A 71 TRP HBx 1.0 1.8 4.6 233 157 A 8 LEU HD2% A 71 TRP HBx 1.0 1.8 4.6 234 157 A 71 TRP HBy A 8 LEU HD1% 1.0 1.8 4.6 235 157 A 8 LEU HD2% A 71 TRP HBy 1.0 1.8 4.6 236 158 A 8 LEU HA A 9 THR HA 1.0 1.8 6.1 237 159 A 9 THR HA A 9 THR HG2% 1.0 1.8 3.1 238 160 A 9 THR HA A 10 GLY HAx 1.0 1.8 6.1 239 161 A 9 THR HG2% A 9 THR HB 1.0 1.8 3.1 240 162 A 12 THR HA A 6 LYS HBx 1.0 1.8 6.1 241 162 A 6 LYS HBy A 12 THR HA 1.0 1.8 6.1 242 163 A 12 THR HA A 6 LYS HBx 1.0 1.8 6.1 243 163 A 6 LYS HBy A 12 THR HA 1.0 1.8 6.1 244 164 A 12 THR HA A 12 THR HB 1.0 1.8 3.1 245 165 A 12 THR HG2% A 12 THR HA 1.0 1.8 3.1 246 166 A 12 THR HB A 13 THR H 1.0 1.8 4.6 247 167 A 12 THR HG2% A 13 THR H 1.0 1.8 4.6 248 168 A 5 VAL HB A 13 THR H 1.0 1.8 4.6 249 169 A 13 THR HB A 13 THR H 1.0 1.8 3.1 250 170 A 13 THR HG2% A 13 THR HA 1.0 1.8 4.6 251 171 A 13 THR HB A 13 THR HA 1.0 1.8 4.6 252 172 A 13 THR HB A 13 THR HG2% 1.0 1.8 3.1 253 173 A 13 THR HG2% A 33 LYS HB2 1.0 1.8 6.1 254 173 A 13 THR HG2% A 33 LYS HB3 1.0 1.8 6.1 255 174 A 14 THR HA A 14 THR H 1.0 1.8 3.1 256 175 A 14 THR HB A 14 THR H 1.0 1.8 4.6 257 176 A 14 THR HG2% A 14 THR H 1.0 1.8 3.1 258 177 A 14 THR HA A 14 THR HB 1.0 1.8 3.1 259 178 A 14 THR HA A 14 THR HG2% 1.0 1.8 4.6 260 179 A 15 LEU H A 14 THR HA 1.0 1.8 3.1 261 180 A 15 LEU HG A 14 THR HA 1.0 1.8 4.6 262 181 A 14 THR HB A 14 THR HG2% 1.0 1.8 3.1 263 182 A 15 LEU H A 14 THR HB 1.0 1.8 4.6 264 183 A 15 LEU H A 3 ILE HG1x 1.0 1.8 4.6 265 183 A 3 ILE HG1y A 15 LEU H 1.0 1.8 4.6 266 184 A 15 LEU H A 15 LEU HB2 1.0 1.8 3.1 267 184 A 15 LEU H A 15 LEU HB3 1.0 1.8 3.1 268 185 A 15 LEU HA A 15 LEU HB2 1.0 1.8 3.1 269 185 A 15 LEU HB3 A 15 LEU HA 1.0 1.8 3.1 270 186 A 15 LEU HA A 15 LEU HD11 1.0 1.8 4.6 271 186 A 15 LEU HA A 15 LEU HD2% 1.0 1.8 4.6 272 187 A 14 THR HA A 15 LEU HB2 1.0 1.8 6.1 273 187 A 15 LEU HB3 A 14 THR HA 1.0 1.8 6.1 274 188 A 16 GLU H A 15 LEU HB2 1.0 1.8 4.6 275 188 A 15 LEU HB3 A 16 GLU H 1.0 1.8 4.6 276 189 A 15 LEU HB2 A 16 GLU HBx 1.0 1.8 6.1 277 189 A 15 LEU HB3 A 16 GLU HBx 1.0 1.8 6.1 278 189 A 16 GLU HBy A 15 LEU HB2 1.0 1.8 6.1 279 189 A 15 LEU HB3 A 16 GLU HBy 1.0 1.8 6.1 280 190 A 17 VAL HGx% A 15 LEU HB2 1.0 1.8 6.1 281 190 A 15 LEU HB3 A 17 VAL HGx% 1.0 1.8 6.1 282 191 A 17 VAL HGy% A 15 LEU HB2 1.0 1.8 6.1 283 191 A 17 VAL HGy% A 15 LEU HB3 1.0 1.8 6.1 284 192 A 3 ILE HG1y A 15 LEU HD2% 1.0 1.8 6.1 285 192 A 15 LEU HD2% A 3 ILE HG1x 1.0 1.8 6.1 286 193 A 15 LEU HD2% A 30 ILE HA 1.0 1.8 4.6 287 194 A 15 LEU HD2% A 30 ILE HB 1.0 1.8 6.1 288 195 A 15 LEU HD2% A 30 ILE HG13 1.0 1.8 4.6 289 195 A 15 LEU HD2% A 30 ILE HG12 1.0 1.8 4.6 290 196 A 15 LEU HG A 15 LEU HD11 1.0 1.8 3.1 291 196 A 15 LEU HG A 15 LEU HD2% 1.0 1.8 3.1 292 197 A 16 GLU H A 15 LEU HD11 1.0 1.8 6.1 293 197 A 15 LEU HD2% A 16 GLU H 1.0 1.8 6.1 294 198 A 16 GLU H A 16 GLU HBx 1.0 1.8 3.1 295 198 A 16 GLU H A 16 GLU HBy 1.0 1.8 3.1 296 199 A 16 GLU H A 16 GLU HGx 1.0 1.8 4.6 297 199 A 16 GLU H A 16 GLU HGy 1.0 1.8 4.6 298 200 A 16 GLU HA A 16 GLU HGx 1.0 1.8 3.1 299 200 A 16 GLU HA A 16 GLU HGy 1.0 1.8 3.1 300 201 A 16 GLU HA A 16 GLU HGx 1.0 1.8 3.1 301 201 A 16 GLU HA A 16 GLU HGy 1.0 1.8 3.1 302 202 A 16 GLU HA A 16 GLU HGx 1.0 1.8 3.1 303 202 A 16 GLU HA A 16 GLU HGy 1.0 1.8 3.1 304 203 A 16 GLU HA A 17 VAL HGx% 1.0 1.8 6.1 305 204 A 17 VAL HGy% A 16 GLU HA 1.0 1.8 6.1 306 205 A 17 VAL H A 16 GLU HBx 1.0 1.8 4.6 307 205 A 16 GLU HBy A 17 VAL H 1.0 1.8 4.6 308 206 A 17 VAL H A 16 GLU HGx 1.0 1.8 4.6 309 206 A 16 GLU HGy A 17 VAL H 1.0 1.8 4.6 310 207 A 16 GLU HA A 17 VAL H 1.0 1.8 3.1 311 208 A 17 VAL HGx% A 17 VAL H 1.0 1.8 4.6 312 209 A 17 VAL HGy% A 17 VAL H 1.0 1.8 4.6 313 210 A 17 VAL HA A 16 GLU HBx 1.0 1.8 6.1 314 210 A 16 GLU HBy A 17 VAL HA 1.0 1.8 6.1 315 211 A 17 VAL HB A 17 VAL HA 1.0 1.8 3.1 316 212 A 17 VAL HGx% A 17 VAL HA 1.0 1.8 4.6 317 213 A 17 VAL HGy% A 17 VAL HA 1.0 1.8 4.6 318 214 A 17 VAL HA A 18 GLU HBy 1.0 1.8 6.1 319 214 A 17 VAL HA A 18 GLU HBx 1.0 1.8 6.1 320 215 A 17 VAL HB A 17 VAL HGx% 1.0 1.8 3.1 321 216 A 17 VAL HGy% A 17 VAL HB 1.0 1.8 3.1 322 217 A 3 ILE HB A 17 VAL HGx% 1.0 1.8 6.1 323 218 A 17 VAL HGy% A 17 VAL HGx% 1.0 1.8 4.6 324 219 A 17 VAL HGx% A 18 GLU H 1.0 1.8 4.6 325 220 A 17 VAL HGx% A 26 VAL HGy% 1.0 1.8 4.6 326 221 A 17 VAL HGy% A 18 GLU H 1.0 1.8 4.6 327 222 A 18 GLU HBx A 18 GLU H 1.0 1.8 3.1 328 223 A 18 GLU H A 18 GLU HBy 1.0 1.8 4.6 329 224 A 18 GLU H A 18 GLU HGx 1.0 1.8 4.6 330 224 A 18 GLU H A 18 GLU HGy 1.0 1.8 4.6 331 225 A 18 GLU H A 18 GLU HGx 1.0 1.8 4.6 332 225 A 18 GLU H A 18 GLU HGy 1.0 1.8 4.6 333 226 A 17 VAL HGy% A 18 GLU HA 1.0 1.8 6.1 334 227 A 18 GLU HBx A 18 GLU HA 1.0 1.8 3.1 335 228 A 18 GLU HA A 18 GLU HBy 1.0 1.8 3.1 336 229 A 18 GLU HA A 18 GLU HGx 1.0 1.8 3.1 337 229 A 18 GLU HGy A 18 GLU HA 1.0 1.8 3.1 338 230 A 18 GLU HA A 19 PRO HDx 1.0 1.8 3.1 339 230 A 18 GLU HA A 19 PRO HDy 1.0 1.8 3.1 340 231 A 18 GLU HA A 19 PRO HDx 1.0 1.8 3.1 341 231 A 18 GLU HA A 19 PRO HDy 1.0 1.8 3.1 342 232 A 18 GLU HA A 19 PRO HGx 1.0 1.8 6.1 343 232 A 18 GLU HA A 19 PRO HGy 1.0 1.8 6.1 344 233 A 18 GLU HBx A 18 GLU HA 1.0 1.8 3.1 345 234 A 18 GLU HBx A 19 PRO HDy 1.0 1.8 4.6 346 234 A 18 GLU HBx A 19 PRO HDx 1.0 1.8 4.6 347 235 A 18 GLU HBx A 20 SER H 1.0 1.8 4.6 348 236 A 18 GLU HBx A 20 SER HBy 1.0 1.8 6.1 349 236 A 18 GLU HBx A 20 SER HBx 1.0 1.8 6.1 350 237 A 18 GLU HBx A 21 ASP H 1.0 1.8 4.6 351 238 A 18 GLU HBx A 21 ASP HBx 1.0 1.8 4.6 352 238 A 18 GLU HBx A 21 ASP HBy 1.0 1.8 4.6 353 239 A 18 GLU HA A 18 GLU HBy 1.0 1.8 3.1 354 240 A 19 PRO HDy A 18 GLU HBy 1.0 1.8 4.6 355 240 A 18 GLU HBy A 19 PRO HDx 1.0 1.8 4.6 356 241 A 20 SER H A 18 GLU HBy 1.0 1.8 3.1 357 242 A 21 ASP H A 18 GLU HBy 1.0 1.8 4.6 358 243 A 18 GLU HA A 18 GLU HGx 1.0 1.8 3.1 359 243 A 18 GLU HGy A 18 GLU HA 1.0 1.8 3.1 360 244 A 18 GLU HBx A 18 GLU HGy 1.0 1.8 3.1 361 244 A 18 GLU HBx A 18 GLU HGx 1.0 1.8 3.1 362 245 A 18 GLU HGy A 18 GLU HBy 1.0 1.8 3.1 363 245 A 18 GLU HBy A 18 GLU HGx 1.0 1.8 3.1 364 246 A 18 GLU HBx A 19 PRO HA 1.0 1.8 6.1 365 247 A 19 PRO HA A 19 PRO HBx 1.0 1.8 3.1 366 248 A 19 PRO HA A 19 PRO HBy 1.0 1.8 3.1 367 249 A 19 PRO HA A 19 PRO HDx 1.0 1.8 4.6 368 249 A 19 PRO HDy A 19 PRO HA 1.0 1.8 4.6 369 250 A 21 ASP H A 19 PRO HA 1.0 1.8 4.6 370 251 A 19 PRO HA A 56 LEU HBx 1.0 1.8 3.1 371 251 A 19 PRO HA A 56 LEU HBy 1.0 1.8 3.1 372 252 A 19 PRO HA A 56 LEU HBx 1.0 1.8 3.1 373 252 A 19 PRO HA A 56 LEU HBy 1.0 1.8 3.1 374 253 A 19 PRO HA A 56 LEU HDx% 1.0 1.8 4.6 375 253 A 19 PRO HA A 56 LEU HDy% 1.0 1.8 4.6 376 254 A 19 PRO HBx A 57 SER HBx 1.0 1.8 6.1 377 254 A 19 PRO HBx A 57 SER HBy 1.0 1.8 6.1 378 255 A 19 PRO HBy A 56 LEU HDx% 1.0 1.8 6.1 379 256 A 19 PRO HBy A 57 SER HBx 1.0 1.8 4.6 380 256 A 19 PRO HBy A 57 SER HBy 1.0 1.8 4.6 381 257 A 18 GLU HA A 19 PRO HGx 1.0 1.8 6.1 382 257 A 18 GLU HA A 19 PRO HGy 1.0 1.8 6.1 383 258 A 19 PRO HDx A 19 PRO HGx 1.0 1.8 3.1 384 258 A 19 PRO HDy A 19 PRO HGx 1.0 1.8 3.1 385 258 A 19 PRO HGy A 19 PRO HDx 1.0 1.8 3.1 386 258 A 19 PRO HDy A 19 PRO HGy 1.0 1.8 3.1 387 259 A 20 SER H A 21 ASP H 1.0 1.8 3.1 388 260 A 20 SER HA A 20 SER HBx 1.0 1.8 3.1 389 260 A 20 SER HBy A 20 SER HA 1.0 1.8 3.1 390 261 A 20 SER HA A 20 SER HBx 1.0 1.8 3.1 391 261 A 20 SER HBy A 20 SER HA 1.0 1.8 3.1 392 262 A 20 SER HA A 55 THR HG2% 1.0 1.8 4.6 393 263 A 55 THR HG2% A 20 SER HBx 1.0 1.8 6.1 394 263 A 20 SER HBy A 55 THR HG2% 1.0 1.8 6.1 395 264 A 55 THR HG2% A 20 SER HBx 1.0 1.8 6.1 396 264 A 20 SER HBy A 55 THR HG2% 1.0 1.8 6.1 397 265 A 21 ASP H A 20 SER HA 1.0 1.8 4.6 398 266 A 21 ASP H A 21 ASP HBy 1.0 1.8 3.1 399 267 A 21 ASP H A 21 ASP HBx 1.0 1.8 4.6 400 268 A 21 ASP HA A 21 ASP HBy 1.0 1.8 3.1 401 269 A 21 ASP HBx A 21 ASP HA 1.0 1.8 3.1 402 270 A 21 ASP HA A 22 THR HG2% 1.0 1.8 4.6 403 271 A 26 VAL HGy% A 21 ASP HA 1.0 1.8 6.1 404 272 A 17 VAL HGx% A 21 ASP HBy 1.0 1.8 6.1 405 273 A 21 ASP HBx A 21 ASP HBy 1.0 1.8 3.1 406 274 A 26 VAL HGy% A 21 ASP HBy 1.0 1.8 6.1 407 275 A 17 VAL HGx% A 21 ASP HBx 1.0 1.8 6.1 408 276 A 21 ASP HBx A 25 ASN HBy 1.0 1.8 6.1 409 277 A 26 VAL HGy% A 21 ASP HBx 1.0 1.8 4.6 410 278 A 22 THR HG2% A 22 THR H 1.0 1.8 3.1 411 279 A 25 ASN HBy A 22 THR H 1.0 1.8 4.6 412 280 A 22 THR H A 25 ASN HBx 1.0 1.8 4.6 413 281 A 22 THR H A 55 THR HA 1.0 1.8 6.1 414 282 A 22 THR HG2% A 22 THR HA 1.0 1.8 3.1 415 283 A 22 THR HA A 23 ILE HD1% 1.0 1.8 4.6 416 284 A 55 THR HA A 22 THR HA 1.0 1.8 3.1 417 285 A 22 THR HA A 55 THR HB 1.0 1.8 6.1 418 286 A 55 THR HG2% A 22 THR HA 1.0 1.8 4.6 419 287 A 22 THR HA A 56 LEU HDx% 1.0 1.8 6.1 420 287 A 56 LEU HDy% A 22 THR HA 1.0 1.8 6.1 421 288 A 22 THR HG2% A 22 THR HB 1.0 1.8 3.1 422 289 A 22 THR HB A 23 ILE HA 1.0 1.8 6.1 423 290 A 22 THR HB A 24 GLU HBx 1.0 1.8 4.6 424 290 A 22 THR HB A 24 GLU HBy 1.0 1.8 4.6 425 291 A 22 THR HB A 53 GLY HA2 1.0 1.8 6.1 426 292 A 55 THR HA A 22 THR HB 1.0 1.8 4.6 427 293 A 22 THR HG2% A 23 ILE H 1.0 1.8 6.1 428 294 A 22 THR HG2% A 25 ASN HBy 1.0 1.8 6.1 429 295 A 22 THR HG2% A 25 ASN HBx 1.0 1.8 6.1 430 296 A 22 THR HG2% A 53 GLY HA2 1.0 1.8 6.1 431 297 A 22 THR HG2% A 54 ARG H 1.0 1.8 6.1 432 298 A 22 THR HG2% A 55 THR HA 1.0 1.8 4.6 433 299 A 22 THR HG2% A 55 THR HB 1.0 1.8 6.1 434 300 A 23 ILE HA A 23 ILE H 1.0 1.8 3.1 435 301 A 23 ILE H A 23 ILE HB 1.0 1.8 3.1 436 302 A 23 ILE HD1% A 23 ILE H 1.0 1.8 4.6 437 303 A 23 ILE H A 23 ILE HG1x 1.0 1.8 4.6 438 303 A 23 ILE H A 23 ILE HG1y 1.0 1.8 4.6 439 304 A 23 ILE H A 23 ILE HG1x 1.0 1.8 4.6 440 304 A 23 ILE H A 23 ILE HG1y 1.0 1.8 4.6 441 305 A 23 ILE H A 54 ARG H 1.0 1.8 4.6 442 306 A 55 THR HA A 23 ILE H 1.0 1.8 4.6 443 307 A 23 ILE HD1% A 23 ILE HA 1.0 1.8 3.1 444 308 A 23 ILE HA A 23 ILE HG1x 1.0 1.8 4.6 445 308 A 23 ILE HA A 23 ILE HG1y 1.0 1.8 4.6 446 309 A 23 ILE HA A 23 ILE HG1x 1.0 1.8 4.6 447 309 A 23 ILE HA A 23 ILE HG1y 1.0 1.8 4.6 448 310 A 23 ILE HA A 23 ILE HG2% 1.0 1.8 4.6 449 311 A 23 ILE HA A 26 VAL H 1.0 1.8 4.6 450 312 A 23 ILE HA A 26 VAL HB 1.0 1.8 3.1 451 313 A 26 VAL HGy% A 23 ILE HA 1.0 1.8 4.6 452 314 A 23 ILE HA A 50 LEU HDx% 1.0 1.8 6.1 453 315 A 23 ILE HA A 23 ILE HB 1.0 1.8 4.6 454 316 A 23 ILE HD1% A 23 ILE HB 1.0 1.8 4.6 455 317 A 23 ILE HB A 23 ILE HG1x 1.0 1.8 3.1 456 317 A 23 ILE HB A 23 ILE HG1y 1.0 1.8 3.1 457 318 A 23 ILE HB A 23 ILE HG1x 1.0 1.8 3.1 458 318 A 23 ILE HB A 23 ILE HG1y 1.0 1.8 3.1 459 319 A 23 ILE HB A 23 ILE HG2% 1.0 1.8 3.1 460 320 A 23 ILE HB A 50 LEU HDx% 1.0 1.8 6.1 461 321 A 23 ILE HB A 52 ASP HA 1.0 1.8 4.6 462 322 A 54 ARG H A 23 ILE HB 1.0 1.8 4.6 463 323 A 23 ILE HB A 59 TYR HE% 1.0 1.8 6.1 464 324 A 23 ILE HD1% A 23 ILE HG1x 1.0 1.8 3.1 465 324 A 23 ILE HD1% A 23 ILE HG1y 1.0 1.8 3.1 466 325 A 23 ILE HD1% A 23 ILE HG1x 1.0 1.8 3.1 467 325 A 23 ILE HD1% A 23 ILE HG1y 1.0 1.8 3.1 468 326 A 26 VAL HGy% A 23 ILE HD1% 1.0 1.8 4.6 469 327 A 23 ILE HD1% A 50 LEU HBx 1.0 1.8 6.1 470 327 A 23 ILE HD1% A 50 LEU HBy 1.0 1.8 6.1 471 328 A 23 ILE HD1% A 50 LEU HBx 1.0 1.8 6.1 472 328 A 23 ILE HD1% A 50 LEU HBy 1.0 1.8 6.1 473 329 A 23 ILE HD1% A 50 LEU HDy% 1.0 1.8 6.1 474 330 A 55 THR HA A 23 ILE HD1% 1.0 1.8 4.6 475 331 A 23 ILE HD1% A 56 LEU H 1.0 1.8 6.1 476 332 A 23 ILE HD1% A 56 LEU HA 1.0 1.8 4.6 477 333 A 23 ILE HD1% A 59 TYR HD% 1.0 1.8 6.1 478 334 A 23 ILE HD1% A 59 TYR HE% 1.0 1.8 6.1 479 335 A 54 ARG H A 23 ILE HG1x 1.0 1.8 6.1 480 335 A 54 ARG H A 23 ILE HG1y 1.0 1.8 6.1 481 336 A 56 LEU HA A 23 ILE HG1x 1.0 1.8 6.1 482 336 A 23 ILE HG1y A 56 LEU HA 1.0 1.8 6.1 483 337 A 59 TYR HE% A 23 ILE HG1x 1.0 1.8 4.6 484 337 A 23 ILE HG1y A 59 TYR HE% 1.0 1.8 4.6 485 338 A 23 ILE HD1% A 23 ILE HG2% 1.0 1.8 4.6 486 339 A 23 ILE HG2% A 23 ILE HG1x 1.0 1.8 4.6 487 339 A 23 ILE HG1y A 23 ILE HG2% 1.0 1.8 4.6 488 340 A 23 ILE HG2% A 23 ILE HG1x 1.0 1.8 4.6 489 340 A 23 ILE HG1y A 23 ILE HG2% 1.0 1.8 4.6 490 341 A 23 ILE HG2% A 27 LYS HG2 1.0 1.8 4.6 491 341 A 23 ILE HG2% A 27 LYS HG3 1.0 1.8 4.6 492 342 A 23 ILE HG2% A 50 LEU HBx 1.0 1.8 4.6 493 342 A 23 ILE HG2% A 50 LEU HBy 1.0 1.8 4.6 494 343 A 23 ILE HG2% A 50 LEU HBx 1.0 1.8 4.6 495 343 A 23 ILE HG2% A 50 LEU HBy 1.0 1.8 4.6 496 344 A 23 ILE HG2% A 52 ASP H 1.0 1.8 6.1 497 345 A 23 ILE HG2% A 52 ASP HA 1.0 1.8 6.1 498 346 A 24 GLU HA A 24 GLU HBx 1.0 1.8 3.1 499 346 A 24 GLU HBy A 24 GLU HA 1.0 1.8 3.1 500 347 A 24 GLU HA A 24 GLU HG2 1.0 1.8 3.1 501 347 A 24 GLU HA A 24 GLU HG3 1.0 1.8 3.1 502 348 A 26 VAL H A 24 GLU HA 1.0 1.8 6.1 503 349 A 24 GLU HA A 27 LYS H 1.0 1.8 4.6 504 350 A 24 GLU HA A 28 ALA HB% 1.0 1.8 6.1 505 351 A 24 GLU HA A 52 ASP HBx 1.0 1.8 6.1 506 351 A 24 GLU HA A 52 ASP HBy 1.0 1.8 6.1 507 352 A 25 ASN H A 24 GLU HG2 1.0 1.8 4.6 508 352 A 24 GLU HG3 A 25 ASN H 1.0 1.8 4.6 509 353 A 24 GLU HA A 25 ASN H 1.0 1.8 4.6 510 354 A 25 ASN H A 24 GLU HBx 1.0 1.8 3.1 511 354 A 24 GLU HBy A 25 ASN H 1.0 1.8 3.1 512 355 A 25 ASN HBy A 25 ASN H 1.0 1.8 3.1 513 356 A 25 ASN HBx A 25 ASN H 1.0 1.8 3.1 514 357 A 25 ASN HBy A 25 ASN HA 1.0 1.8 3.1 515 358 A 25 ASN HBx A 25 ASN HA 1.0 1.8 4.6 516 359 A 28 ALA HB% A 25 ASN HA 1.0 1.8 4.6 517 360 A 25 ASN HBy A 25 ASN HBx 1.0 1.8 3.1 518 361 A 25 ASN HBy A 26 VAL H 1.0 1.8 4.6 519 362 A 26 VAL HGy% A 25 ASN HBy 1.0 1.8 6.1 520 363 A 25 ASN HBx A 26 VAL H 1.0 1.8 3.1 521 364 A 26 VAL HGy% A 25 ASN HBx 1.0 1.8 4.6 522 365 A 26 VAL H A 25 ASN H 1.0 1.8 3.1 523 366 A 26 VAL H A 26 VAL HA 1.0 1.8 3.1 524 367 A 26 VAL H A 26 VAL HB 1.0 1.8 3.1 525 368 A 26 VAL H A 26 VAL HGx% 1.0 1.8 6.1 526 369 A 26 VAL HGy% A 26 VAL H 1.0 1.8 3.1 527 370 A 26 VAL H A 27 LYS H 1.0 1.8 3.1 528 371 A 26 VAL HA A 26 VAL HGx% 1.0 1.8 3.1 529 372 A 26 VAL HGy% A 26 VAL HA 1.0 1.8 3.1 530 373 A 26 VAL HA A 29 LYS H 1.0 1.8 4.6 531 374 A 26 VAL HA A 29 LYS HBy 1.0 1.8 4.6 532 375 A 26 VAL HA A 29 LYS HG2 1.0 1.8 4.6 533 375 A 26 VAL HA A 29 LYS HG3 1.0 1.8 4.6 534 376 A 26 VAL HB A 23 ILE HG1x 1.0 1.8 6.1 535 376 A 23 ILE HG1y A 26 VAL HB 1.0 1.8 6.1 536 377 A 26 VAL HB A 26 VAL HA 1.0 1.8 4.6 537 378 A 26 VAL HB A 26 VAL HGx% 1.0 1.8 3.1 538 379 A 26 VAL HGy% A 26 VAL HB 1.0 1.8 3.1 539 380 A 26 VAL HB A 27 LYS HA 1.0 1.8 4.6 540 381 A 26 VAL HB A 27 LYS HG2 1.0 1.8 4.6 541 381 A 26 VAL HB A 27 LYS HG3 1.0 1.8 4.6 542 382 A 26 VAL HB A 50 LEU HDx% 1.0 1.8 6.1 543 383 A 23 ILE HA A 26 VAL HGx% 1.0 1.8 6.1 544 384 A 27 LYS H A 26 VAL HGx% 1.0 1.8 4.6 545 385 A 26 VAL HGx% A 29 LYS HBx 1.0 1.8 6.1 546 386 A 26 VAL HGy% A 23 ILE HG1x 1.0 1.8 6.1 547 386 A 26 VAL HGy% A 23 ILE HG1y 1.0 1.8 6.1 548 387 A 26 VAL HGy% A 29 LYS HG2 1.0 1.8 6.1 549 387 A 26 VAL HGy% A 29 LYS HG3 1.0 1.8 6.1 550 388 A 26 VAL HGy% A 56 LEU HG 1.0 1.8 6.1 551 389 A 26 VAL HB A 27 LYS H 1.0 1.8 3.1 552 390 A 27 LYS H A 27 LYS HBx 1.0 1.8 3.1 553 390 A 27 LYS H A 27 LYS HBy 1.0 1.8 3.1 554 391 A 27 LYS H A 27 LYS HG2 1.0 1.8 3.1 555 391 A 27 LYS HG3 A 27 LYS H 1.0 1.8 3.1 556 392 A 27 LYS H A 28 ALA H 1.0 1.8 3.1 557 393 A 27 LYS H A 29 LYS H 1.0 1.8 4.6 558 394 A 27 LYS HA A 30 ILE HD1% 1.0 1.8 3.1 559 395 A 27 LYS HA A 30 ILE HG12 1.0 1.8 4.6 560 395 A 30 ILE HG13 A 27 LYS HA 1.0 1.8 4.6 561 396 A 27 LYS HA A 30 ILE HG2% 1.0 1.8 4.6 562 397 A 27 LYS HA A 43 LEU HG 1.0 1.8 6.1 563 398 A 27 LYS HA A 43 LEU HDx% 1.0 1.8 4.6 564 398 A 27 LYS HA A 43 LEU HDy% 1.0 1.8 4.6 565 399 A 24 GLU HG3 A 27 LYS HBx 1.0 1.8 6.1 566 399 A 24 GLU HG2 A 27 LYS HBx 1.0 1.8 6.1 567 399 A 27 LYS HBy A 24 GLU HG2 1.0 1.8 6.1 568 399 A 24 GLU HG3 A 27 LYS HBy 1.0 1.8 6.1 569 400 A 27 LYS HA A 27 LYS HBx 1.0 1.8 3.1 570 400 A 27 LYS HA A 27 LYS HBy 1.0 1.8 3.1 571 401 A 28 ALA H A 27 LYS HBx 1.0 1.8 4.6 572 401 A 27 LYS HBy A 28 ALA H 1.0 1.8 4.6 573 402 A 28 ALA HB% A 27 LYS HBx 1.0 1.8 6.1 574 402 A 28 ALA HB% A 27 LYS HBy 1.0 1.8 6.1 575 403 A 30 ILE HD1% A 27 LYS HBx 1.0 1.8 6.1 576 403 A 27 LYS HBy A 30 ILE HD1% 1.0 1.8 6.1 577 404 A 38 PRO HA A 27 LYS HBx 1.0 1.8 6.1 578 404 A 27 LYS HBy A 38 PRO HA 1.0 1.8 6.1 579 405 A 27 LYS HBy A 38 PRO HBx 1.0 1.8 6.1 580 405 A 27 LYS HBx A 38 PRO HBx 1.0 1.8 6.1 581 405 A 38 PRO HBy A 27 LYS HBx 1.0 1.8 6.1 582 405 A 27 LYS HBy A 38 PRO HBy 1.0 1.8 6.1 583 406 A 43 LEU HG A 27 LYS HBx 1.0 1.8 6.1 584 406 A 27 LYS HBy A 43 LEU HG 1.0 1.8 6.1 585 407 A 27 LYS HBx A 43 LEU HDx% 1.0 1.8 6.1 586 407 A 27 LYS HBy A 43 LEU HDx% 1.0 1.8 6.1 587 407 A 43 LEU HDy% A 27 LYS HBx 1.0 1.8 6.1 588 407 A 27 LYS HBy A 43 LEU HDy% 1.0 1.8 6.1 589 408 A 28 ALA H A 27 LYS HG2 1.0 1.8 6.1 590 408 A 27 LYS HG3 A 28 ALA H 1.0 1.8 6.1 591 409 A 27 LYS HG2 A 43 LEU HDx% 1.0 1.8 4.6 592 409 A 27 LYS HG3 A 43 LEU HDx% 1.0 1.8 4.6 593 409 A 43 LEU HDy% A 27 LYS HG2 1.0 1.8 4.6 594 409 A 27 LYS HG3 A 43 LEU HDy% 1.0 1.8 4.6 595 410 A 28 ALA HA A 31 GLN H 1.0 1.8 4.6 596 411 A 28 ALA HA A 31 GLN HBx 1.0 1.8 4.6 597 412 A 28 ALA HA A 31 GLN HBy 1.0 1.8 4.6 598 413 A 28 ALA HA A 31 GLN HGx 1.0 1.8 6.1 599 413 A 28 ALA HA A 31 GLN HGy 1.0 1.8 6.1 600 414 A 28 ALA HA A 31 GLN HGx 1.0 1.8 6.1 601 414 A 28 ALA HA A 31 GLN HGy 1.0 1.8 6.1 602 415 A 28 ALA HB% A 28 ALA HA 1.0 1.8 3.1 603 416 A 28 ALA HB% A 29 LYS H 1.0 1.8 4.6 604 417 A 28 ALA HB% A 31 GLN HBx 1.0 1.8 6.1 605 418 A 26 VAL HGx% A 29 LYS H 1.0 1.8 6.1 606 419 A 29 LYS H A 29 LYS HA 1.0 1.8 3.1 607 420 A 29 LYS H A 29 LYS HBy 1.0 1.8 3.1 608 421 A 29 LYS H A 30 ILE H 1.0 1.8 3.1 609 422 A 29 LYS HBy A 29 LYS HA 1.0 1.8 4.6 610 423 A 29 LYS HBx A 29 LYS HA 1.0 1.8 3.1 611 424 A 29 LYS HA A 29 LYS HG2 1.0 1.8 3.1 612 424 A 29 LYS HG3 A 29 LYS HA 1.0 1.8 3.1 613 425 A 29 LYS HA A 32 ASP HBx 1.0 1.8 4.6 614 425 A 29 LYS HA A 32 ASP HBy 1.0 1.8 4.6 615 426 A 30 ILE HA A 30 ILE H 1.0 1.8 3.1 616 427 A 30 ILE HB A 30 ILE H 1.0 1.8 3.1 617 428 A 30 ILE HG2% A 30 ILE H 1.0 1.8 4.6 618 429 A 30 ILE HA A 27 LYS HA 1.0 1.8 6.1 619 430 A 30 ILE HA A 30 ILE HB 1.0 1.8 4.6 620 431 A 30 ILE HA A 30 ILE HD1% 1.0 1.8 6.1 621 432 A 30 ILE HA A 30 ILE HG12 1.0 1.8 3.1 622 432 A 30 ILE HA A 30 ILE HG13 1.0 1.8 3.1 623 433 A 30 ILE HA A 30 ILE HG2% 1.0 1.8 4.6 624 434 A 30 ILE HA A 33 LYS H 1.0 1.8 4.6 625 435 A 30 ILE HA A 33 LYS HB2 1.0 1.8 4.6 626 435 A 33 LYS HB3 A 30 ILE HA 1.0 1.8 4.6 627 436 A 30 ILE HA A 33 LYS HG2 1.0 1.8 4.6 628 436 A 30 ILE HA A 33 LYS HG3 1.0 1.8 4.6 629 437 A 30 ILE HA A 34 THR HG2% 1.0 1.8 6.1 630 438 A 30 ILE HB A 27 LYS HA 1.0 1.8 3.1 631 439 A 30 ILE HB A 29 LYS HBx 1.0 1.8 6.1 632 440 A 30 ILE HB A 30 ILE HD1% 1.0 1.8 3.1 633 441 A 30 ILE HB A 31 GLN HA 1.0 1.8 6.1 634 442 A 30 ILE HD1% A 30 ILE HG12 1.0 1.8 3.1 635 442 A 30 ILE HG13 A 30 ILE HD1% 1.0 1.8 3.1 636 443 A 30 ILE HD1% A 67 LEU HBx 1.0 1.8 6.1 637 443 A 67 LEU HBy A 30 ILE HD1% 1.0 1.8 6.1 638 444 A 31 GLN H A 30 ILE HG12 1.0 1.8 6.1 639 444 A 30 ILE HG13 A 31 GLN H 1.0 1.8 6.1 640 445 A 32 ASP H A 30 ILE HG12 1.0 1.8 6.1 641 445 A 30 ILE HG13 A 32 ASP H 1.0 1.8 6.1 642 446 A 30 ILE HB A 30 ILE HG2% 1.0 1.8 3.1 643 447 A 30 ILE HG2% A 30 ILE HG12 1.0 1.8 4.6 644 447 A 30 ILE HG13 A 30 ILE HG2% 1.0 1.8 4.6 645 448 A 30 ILE HG2% A 31 GLN H 1.0 1.8 4.6 646 449 A 30 ILE HG2% A 31 GLN HA 1.0 1.8 4.6 647 450 A 30 ILE HG2% A 34 THR HB 1.0 1.8 6.1 648 451 A 30 ILE HG2% A 34 THR HG2% 1.0 1.8 4.6 649 452 A 30 ILE HG2% A 36 LEU HDx% 1.0 1.8 6.1 650 453 A 31 GLN H A 31 GLN HBx 1.0 1.8 3.1 651 454 A 31 GLN H A 31 GLN HBy 1.0 1.8 3.1 652 455 A 31 GLN H A 32 ASP H 1.0 1.8 3.1 653 456 A 31 GLN HBx A 31 GLN HA 1.0 1.8 3.1 654 457 A 31 GLN HBy A 31 GLN HA 1.0 1.8 4.6 655 458 A 31 GLN HA A 31 GLN HGx 1.0 1.8 3.1 656 458 A 31 GLN HGy A 31 GLN HA 1.0 1.8 3.1 657 459 A 31 GLN HA A 31 GLN HGx 1.0 1.8 3.1 658 459 A 31 GLN HGy A 31 GLN HA 1.0 1.8 3.1 659 460 A 31 GLN HA A 34 THR HB 1.0 1.8 6.1 660 461 A 34 THR HG2% A 31 GLN HA 1.0 1.8 6.1 661 462 A 31 GLN HBx A 31 GLN HBy 1.0 1.8 3.1 662 463 A 32 ASP H A 31 GLN HGx 1.0 1.8 6.1 663 463 A 31 GLN HGy A 32 ASP H 1.0 1.8 6.1 664 464 A 31 GLN HBx A 32 ASP H 1.0 1.8 4.6 665 465 A 31 GLN HBy A 32 ASP H 1.0 1.8 4.6 666 466 A 32 ASP H A 32 ASP HA 1.0 1.8 3.1 667 467 A 32 ASP H A 32 ASP HBx 1.0 1.8 3.1 668 467 A 32 ASP HBy A 32 ASP H 1.0 1.8 3.1 669 468 A 32 ASP H A 32 ASP HBx 1.0 1.8 3.1 670 468 A 32 ASP HBy A 32 ASP H 1.0 1.8 3.1 671 469 A 33 LYS H A 32 ASP H 1.0 1.8 3.1 672 470 A 32 ASP H A 33 LYS HB2 1.0 1.8 6.1 673 470 A 33 LYS HB3 A 32 ASP H 1.0 1.8 6.1 674 471 A 32 ASP HA A 34 THR H 1.0 1.8 4.6 675 472 A 32 ASP HA A 32 ASP HBx 1.0 1.8 3.1 676 472 A 32 ASP HBy A 32 ASP HA 1.0 1.8 3.1 677 473 A 32 ASP HA A 32 ASP HBx 1.0 1.8 3.1 678 473 A 32 ASP HBy A 32 ASP HA 1.0 1.8 3.1 679 474 A 33 LYS H A 32 ASP HBx 1.0 1.8 4.6 680 474 A 32 ASP HBy A 33 LYS H 1.0 1.8 4.6 681 475 A 33 LYS H A 33 LYS HB2 1.0 1.8 3.1 682 475 A 33 LYS HB3 A 33 LYS H 1.0 1.8 3.1 683 476 A 33 LYS H A 33 LYS HG2 1.0 1.8 3.1 684 476 A 33 LYS H A 33 LYS HG3 1.0 1.8 3.1 685 477 A 33 LYS H A 34 THR H 1.0 1.8 3.1 686 478 A 34 THR H A 33 LYS HB2 1.0 1.8 4.6 687 478 A 33 LYS HB3 A 34 THR H 1.0 1.8 4.6 688 479 A 34 THR HG2% A 34 THR H 1.0 1.8 4.6 689 480 A 34 THR H A 35 GLY H 1.0 1.8 3.1 690 481 A 34 THR H A 35 GLY HAx 1.0 1.8 6.1 691 482 A 34 THR HB A 34 THR HA 1.0 1.8 3.1 692 483 A 34 THR HG2% A 34 THR HA 1.0 1.8 3.1 693 484 A 34 THR HB A 36 LEU H 1.0 1.8 4.6 694 485 A 34 THR HB A 36 LEU HG 1.0 1.8 3.1 695 486 A 34 THR HB A 36 LEU HDx% 1.0 1.8 4.6 696 486 A 34 THR HB A 36 LEU HDy% 1.0 1.8 4.6 697 487 A 69 ILE HB A 34 THR HG2% 1.0 1.8 6.1 698 488 A 35 GLY H A 35 GLY HAy 1.0 1.8 3.1 699 489 A 35 GLY H A 35 GLY HAx 1.0 1.8 3.1 700 490 A 35 GLY H A 36 LEU H 1.0 1.8 4.6 701 491 A 31 GLN HA A 36 LEU H 1.0 1.8 4.6 702 492 A 35 GLY HAx A 36 LEU H 1.0 1.8 4.6 703 493 A 36 LEU H A 36 LEU HA 1.0 1.8 3.1 704 494 A 36 LEU H A 36 LEU HG 1.0 1.8 3.1 705 495 A 36 LEU H A 36 LEU HDx% 1.0 1.8 4.6 706 495 A 36 LEU H A 36 LEU HDy% 1.0 1.8 4.6 707 496 A 36 LEU HG A 36 LEU HA 1.0 1.8 4.6 708 497 A 36 LEU HA A 36 LEU HDx% 1.0 1.8 4.6 709 497 A 36 LEU HDy% A 36 LEU HA 1.0 1.8 4.6 710 498 A 36 LEU HA A 37 PRO HBy 1.0 1.8 6.1 711 499 A 36 LEU HA A 37 PRO HDx 1.0 1.8 3.1 712 499 A 36 LEU HA A 37 PRO HDy 1.0 1.8 3.1 713 500 A 36 LEU HA A 37 PRO HGx 1.0 1.8 6.1 714 500 A 36 LEU HA A 37 PRO HGy 1.0 1.8 6.1 715 501 A 36 LEU HA A 37 PRO HGx 1.0 1.8 6.1 716 501 A 36 LEU HA A 37 PRO HGy 1.0 1.8 6.1 717 502 A 36 LEU HA A 37 PRO HGx 1.0 1.8 6.1 718 502 A 36 LEU HA A 37 PRO HGy 1.0 1.8 6.1 719 503 A 36 LEU HA A 36 LEU HBy 1.0 1.8 3.1 720 504 A 36 LEU HBy A 36 LEU HDx% 1.0 1.8 3.1 721 505 A 36 LEU HDy% A 36 LEU HBy 1.0 1.8 4.6 722 506 A 36 LEU HBy A 37 PRO HDx 1.0 1.8 4.6 723 506 A 37 PRO HDy A 36 LEU HBy 1.0 1.8 4.6 724 507 A 36 LEU HA A 36 LEU HBx 1.0 1.8 3.1 725 508 A 36 LEU HBx A 36 LEU HDx% 1.0 1.8 4.6 726 509 A 36 LEU HDy% A 36 LEU HBx 1.0 1.8 3.1 727 510 A 36 LEU HBx A 37 PRO HA 1.0 1.8 6.1 728 511 A 36 LEU HBx A 37 PRO HDx 1.0 1.8 4.6 729 511 A 37 PRO HDy A 36 LEU HBx 1.0 1.8 4.6 730 512 A 36 LEU HG A 36 LEU HDx% 1.0 1.8 3.1 731 513 A 36 LEU HG A 36 LEU HDy% 1.0 1.8 3.1 732 514 A 36 LEU HG A 37 PRO HDx 1.0 1.8 6.1 733 514 A 36 LEU HG A 37 PRO HDy 1.0 1.8 6.1 734 515 A 36 LEU HG A 37 PRO HDx 1.0 1.8 6.1 735 515 A 36 LEU HG A 37 PRO HDy 1.0 1.8 6.1 736 516 A 37 PRO HDy A 36 LEU HDx% 1.0 1.8 6.1 737 516 A 36 LEU HDx% A 37 PRO HDx 1.0 1.8 6.1 738 517 A 36 LEU HDy% A 36 LEU HA 1.0 1.8 6.1 739 518 A 36 LEU HDy% A 37 PRO HDy 1.0 1.8 6.1 740 518 A 36 LEU HDy% A 37 PRO HDx 1.0 1.8 6.1 741 519 A 36 LEU HDy% A 40 GLN HBy 1.0 1.8 4.6 742 519 A 36 LEU HDy% A 40 GLN HBx 1.0 1.8 4.6 743 520 A 36 LEU HDy% A 40 GLN HGy 1.0 1.8 6.1 744 520 A 36 LEU HDy% A 40 GLN HGx 1.0 1.8 6.1 745 521 A 71 TRP HBy A 36 LEU HDy% 1.0 1.8 6.1 746 521 A 36 LEU HDy% A 71 TRP HBx 1.0 1.8 6.1 747 522 A 36 LEU HDy% A 37 PRO HDx 1.0 1.8 6.1 748 522 A 36 LEU HDx% A 37 PRO HDx 1.0 1.8 6.1 749 522 A 37 PRO HDy A 36 LEU HDx% 1.0 1.8 6.1 750 522 A 36 LEU HDy% A 37 PRO HDy 1.0 1.8 6.1 751 523 A 36 LEU HDy% A 37 PRO HDx 1.0 1.8 6.1 752 523 A 36 LEU HDx% A 37 PRO HDx 1.0 1.8 6.1 753 523 A 37 PRO HDy A 36 LEU HDx% 1.0 1.8 6.1 754 523 A 36 LEU HDy% A 37 PRO HDy 1.0 1.8 6.1 755 524 A 36 LEU HDy% A 40 GLN HBx 1.0 1.8 4.6 756 524 A 36 LEU HDx% A 40 GLN HBx 1.0 1.8 4.6 757 524 A 40 GLN HBy A 36 LEU HDx% 1.0 1.8 4.6 758 524 A 36 LEU HDy% A 40 GLN HBy 1.0 1.8 4.6 759 525 A 36 LEU HDy% A 40 GLN HGx 1.0 1.8 6.1 760 525 A 36 LEU HDx% A 40 GLN HGx 1.0 1.8 6.1 761 525 A 40 GLN HGy A 36 LEU HDx% 1.0 1.8 6.1 762 525 A 36 LEU HDy% A 40 GLN HGy 1.0 1.8 6.1 763 526 A 37 PRO HA A 37 PRO HBx 1.0 1.8 3.1 764 527 A 37 PRO HBy A 37 PRO HA 1.0 1.8 3.1 765 528 A 37 PRO HA A 37 PRO HDx 1.0 1.8 4.6 766 528 A 37 PRO HDy A 37 PRO HA 1.0 1.8 4.6 767 529 A 37 PRO HA A 38 PRO HD2 1.0 1.8 3.1 768 529 A 37 PRO HA A 38 PRO HD3 1.0 1.8 3.1 769 530 A 37 PRO HA A 38 PRO HGx 1.0 1.8 6.1 770 530 A 37 PRO HA A 38 PRO HGy 1.0 1.8 6.1 771 531 A 37 PRO HA A 38 PRO HGx 1.0 1.8 6.1 772 531 A 37 PRO HA A 38 PRO HGy 1.0 1.8 6.1 773 532 A 37 PRO HBx A 38 PRO HD2 1.0 1.8 4.6 774 532 A 37 PRO HBx A 38 PRO HD3 1.0 1.8 4.6 775 533 A 37 PRO HBy A 38 PRO HD2 1.0 1.8 4.6 776 533 A 37 PRO HBy A 38 PRO HD3 1.0 1.8 4.6 777 534 A 37 PRO HBx A 37 PRO HDx 1.0 1.8 4.6 778 534 A 37 PRO HDy A 37 PRO HBx 1.0 1.8 4.6 779 535 A 37 PRO HBy A 37 PRO HDx 1.0 1.8 4.6 780 535 A 37 PRO HBy A 37 PRO HDy 1.0 1.8 4.6 781 536 A 37 PRO HDx A 40 GLN HBx 1.0 1.8 4.6 782 536 A 37 PRO HDy A 40 GLN HBx 1.0 1.8 4.6 783 536 A 40 GLN HBy A 37 PRO HDx 1.0 1.8 4.6 784 536 A 37 PRO HDy A 40 GLN HBy 1.0 1.8 4.6 785 537 A 37 PRO HDy A 40 GLN HGx 1.0 1.8 6.1 786 537 A 40 GLN HGy A 37 PRO HDx 1.0 1.8 6.1 787 537 A 37 PRO HDy A 40 GLN HGy 1.0 1.8 6.1 788 537 A 37 PRO HDx A 40 GLN HGx 1.0 1.8 6.1 789 538 A 37 PRO HA A 37 PRO HGx 1.0 1.8 4.6 790 538 A 37 PRO HGy A 37 PRO HA 1.0 1.8 4.6 791 539 A 37 PRO HA A 37 PRO HGx 1.0 1.8 4.6 792 539 A 37 PRO HGy A 37 PRO HA 1.0 1.8 4.6 793 540 A 37 PRO HBy A 37 PRO HGx 1.0 1.8 3.1 794 540 A 37 PRO HBy A 37 PRO HGy 1.0 1.8 3.1 795 541 A 37 PRO HDx A 37 PRO HGx 1.0 1.8 3.1 796 541 A 37 PRO HDy A 37 PRO HGx 1.0 1.8 3.1 797 541 A 37 PRO HGy A 37 PRO HDx 1.0 1.8 3.1 798 541 A 37 PRO HDy A 37 PRO HGy 1.0 1.8 3.1 799 542 A 37 PRO HDx A 37 PRO HGx 1.0 1.8 3.1 800 542 A 37 PRO HDy A 37 PRO HGx 1.0 1.8 3.1 801 542 A 37 PRO HGy A 37 PRO HDx 1.0 1.8 3.1 802 542 A 37 PRO HDy A 37 PRO HGy 1.0 1.8 3.1 803 543 A 37 PRO HDx A 37 PRO HGx 1.0 1.8 3.1 804 543 A 37 PRO HDy A 37 PRO HGx 1.0 1.8 3.1 805 543 A 37 PRO HGy A 37 PRO HDx 1.0 1.8 3.1 806 543 A 37 PRO HDy A 37 PRO HGy 1.0 1.8 3.1 807 544 A 37 PRO HDx A 37 PRO HGx 1.0 1.8 3.1 808 544 A 37 PRO HDy A 37 PRO HGx 1.0 1.8 3.1 809 544 A 37 PRO HGy A 37 PRO HDx 1.0 1.8 3.1 810 544 A 37 PRO HDy A 37 PRO HGy 1.0 1.8 3.1 811 545 A 38 PRO HA A 31 GLN HBx 1.0 1.8 6.1 812 546 A 38 PRO HA A 38 PRO HBx 1.0 1.8 3.1 813 546 A 38 PRO HA A 38 PRO HBy 1.0 1.8 3.1 814 547 A 37 PRO HBx A 38 PRO HD2 1.0 1.8 4.6 815 547 A 37 PRO HBx A 38 PRO HD3 1.0 1.8 4.6 816 548 A 37 PRO HBy A 38 PRO HD2 1.0 1.8 4.6 817 548 A 37 PRO HBy A 38 PRO HD3 1.0 1.8 4.6 818 549 A 38 PRO HD2 A 38 PRO HGx 1.0 1.8 3.1 819 549 A 38 PRO HD3 A 38 PRO HGx 1.0 1.8 3.1 820 549 A 38 PRO HGy A 38 PRO HD2 1.0 1.8 3.1 821 549 A 38 PRO HD3 A 38 PRO HGy 1.0 1.8 3.1 822 550 A 38 PRO HD2 A 38 PRO HGx 1.0 1.8 3.1 823 550 A 38 PRO HD3 A 38 PRO HGx 1.0 1.8 3.1 824 550 A 38 PRO HGy A 38 PRO HD2 1.0 1.8 3.1 825 550 A 38 PRO HD3 A 38 PRO HGy 1.0 1.8 3.1 826 551 A 38 PRO HA A 39 ASP H 1.0 1.8 4.6 827 552 A 39 ASP H A 38 PRO HBx 1.0 1.8 4.6 828 552 A 38 PRO HBy A 39 ASP H 1.0 1.8 4.6 829 553 A 39 ASP H A 38 PRO HD2 1.0 1.8 4.6 830 553 A 38 PRO HD3 A 39 ASP H 1.0 1.8 4.6 831 554 A 39 ASP H A 39 ASP HBx 1.0 1.8 3.1 832 554 A 39 ASP H A 39 ASP HBy 1.0 1.8 3.1 833 555 A 39 ASP H A 39 ASP HBx 1.0 1.8 3.1 834 555 A 39 ASP H A 39 ASP HBy 1.0 1.8 3.1 835 556 A 39 ASP H A 40 GLN H 1.0 1.8 3.1 836 557 A 39 ASP HA A 39 ASP HBx 1.0 1.8 3.1 837 557 A 39 ASP HBy A 39 ASP HA 1.0 1.8 3.1 838 558 A 39 ASP HA A 39 ASP HBx 1.0 1.8 3.1 839 558 A 39 ASP HBy A 39 ASP HA 1.0 1.8 3.1 840 559 A 40 GLN H A 37 PRO HGx 1.0 1.8 6.1 841 559 A 37 PRO HGy A 40 GLN H 1.0 1.8 6.1 842 560 A 40 GLN H A 40 GLN HBx 1.0 1.8 3.1 843 560 A 40 GLN HBy A 40 GLN H 1.0 1.8 3.1 844 561 A 40 GLN H A 40 GLN HGx 1.0 1.8 4.6 845 561 A 40 GLN HGy A 40 GLN H 1.0 1.8 4.6 846 562 A 40 GLN H A 41 GLN H 1.0 1.8 3.1 847 563 A 40 GLN HA A 40 GLN HGx 1.0 1.8 3.1 848 563 A 40 GLN HGy A 40 GLN HA 1.0 1.8 3.1 849 564 A 40 GLN HA A 40 GLN HGx 1.0 1.8 3.1 850 564 A 40 GLN HGy A 40 GLN HA 1.0 1.8 3.1 851 565 A 40 GLN HBx A 40 GLN HGx 1.0 1.8 3.1 852 565 A 40 GLN HBy A 40 GLN HGx 1.0 1.8 3.1 853 565 A 40 GLN HGy A 40 GLN HBx 1.0 1.8 3.1 854 565 A 40 GLN HBy A 40 GLN HGy 1.0 1.8 3.1 855 566 A 38 PRO HA A 41 GLN H 1.0 1.8 4.6 856 567 A 41 GLN H A 40 GLN HA 1.0 1.8 4.6 857 568 A 41 GLN H A 41 GLN HA 1.0 1.8 3.1 858 569 A 41 GLN H A 41 GLN HG2 1.0 1.8 4.6 859 569 A 41 GLN H A 41 GLN HG3 1.0 1.8 4.6 860 570 A 41 GLN H A 42 ARG HB2 1.0 1.8 6.1 861 570 A 41 GLN H A 42 ARG HB3 1.0 1.8 6.1 862 571 A 41 GLN HA A 41 GLN HG2 1.0 1.8 3.1 863 571 A 41 GLN HA A 41 GLN HG3 1.0 1.8 3.1 864 572 A 41 GLN HA A 42 ARG H 1.0 1.8 3.1 865 573 A 42 ARG H A 41 GLN HG2 1.0 1.8 4.6 866 573 A 41 GLN HG3 A 42 ARG H 1.0 1.8 4.6 867 574 A 42 ARG H A 42 ARG HA 1.0 1.8 3.1 868 575 A 42 ARG H A 42 ARG HB2 1.0 1.8 4.6 869 575 A 42 ARG HB3 A 42 ARG H 1.0 1.8 4.6 870 576 A 42 ARG H A 42 ARG HGx 1.0 1.8 6.1 871 576 A 42 ARG H A 42 ARG HGy 1.0 1.8 6.1 872 577 A 42 ARG H A 43 LEU HDx% 1.0 1.8 6.1 873 577 A 43 LEU HDy% A 42 ARG H 1.0 1.8 6.1 874 578 A 42 ARG HA A 42 ARG HB2 1.0 1.8 3.1 875 578 A 42 ARG HB3 A 42 ARG HA 1.0 1.8 3.1 876 579 A 42 ARG HA A 42 ARG HD2 1.0 1.8 6.1 877 579 A 42 ARG HA A 42 ARG HD3 1.0 1.8 6.1 878 580 A 42 ARG HA A 42 ARG HGx 1.0 1.8 3.1 879 580 A 42 ARG HA A 42 ARG HGy 1.0 1.8 3.1 880 581 A 42 ARG HA A 42 ARG HGx 1.0 1.8 3.1 881 581 A 42 ARG HA A 42 ARG HGy 1.0 1.8 3.1 882 582 A 42 ARG HA A 42 ARG HGx 1.0 1.8 3.1 883 582 A 42 ARG HA A 42 ARG HGy 1.0 1.8 3.1 884 583 A 42 ARG HA A 43 LEU H 1.0 1.8 3.1 885 584 A 43 LEU HG A 42 ARG HA 1.0 1.8 4.6 886 585 A 42 ARG HA A 43 LEU HDx% 1.0 1.8 6.1 887 585 A 43 LEU HDy% A 42 ARG HA 1.0 1.8 6.1 888 586 A 42 ARG HB2 A 42 ARG HGx 1.0 1.8 3.1 889 586 A 42 ARG HGy A 42 ARG HB2 1.0 1.8 3.1 890 586 A 42 ARG HB3 A 42 ARG HGy 1.0 1.8 3.1 891 586 A 42 ARG HB3 A 42 ARG HGx 1.0 1.8 3.1 892 587 A 70 VAL H A 42 ARG HB2 1.0 1.8 4.6 893 587 A 42 ARG HB3 A 70 VAL H 1.0 1.8 4.6 894 588 A 70 VAL HA A 42 ARG HB2 1.0 1.8 6.1 895 588 A 42 ARG HB3 A 70 VAL HA 1.0 1.8 6.1 896 589 A 70 VAL HGx% A 42 ARG HB2 1.0 1.8 6.1 897 589 A 42 ARG HB3 A 70 VAL HGx% 1.0 1.8 6.1 898 590 A 42 ARG HB3 A 70 VAL HGy% 1.0 1.8 4.6 899 590 A 42 ARG HB2 A 70 VAL HGy% 1.0 1.8 4.6 900 591 A 42 ARG HB3 A 70 VAL HGy% 1.0 1.8 4.6 901 591 A 42 ARG HB2 A 70 VAL HGy% 1.0 1.8 4.6 902 591 A 70 VAL HGx% A 42 ARG HB2 1.0 1.8 4.6 903 591 A 42 ARG HB3 A 70 VAL HGx% 1.0 1.8 4.6 904 592 A 71 TRP HA A 42 ARG HB2 1.0 1.8 6.1 905 592 A 71 TRP HA A 42 ARG HB3 1.0 1.8 6.1 906 593 A 43 LEU H A 42 ARG HGx 1.0 1.8 3.1 907 593 A 42 ARG HGy A 43 LEU H 1.0 1.8 3.1 908 594 A 44 ILE HD1% A 42 ARG HGx 1.0 1.8 4.6 909 594 A 42 ARG HGy A 44 ILE HD1% 1.0 1.8 4.6 910 595 A 42 ARG HGx A 70 VAL HGy% 1.0 1.8 6.1 911 595 A 70 VAL HGx% A 42 ARG HGx 1.0 1.8 6.1 912 595 A 42 ARG HGy A 70 VAL HGx% 1.0 1.8 6.1 913 595 A 42 ARG HGy A 70 VAL HGy% 1.0 1.8 6.1 914 596 A 43 LEU HG A 43 LEU H 1.0 1.8 4.6 915 597 A 43 LEU H A 43 LEU HDx% 1.0 1.8 4.6 916 597 A 43 LEU HDy% A 43 LEU H 1.0 1.8 4.6 917 598 A 43 LEU H A 44 ILE HD1% 1.0 1.8 6.1 918 599 A 43 LEU HG A 43 LEU HA 1.0 1.8 4.6 919 600 A 43 LEU HA A 43 LEU HDx% 1.0 1.8 4.6 920 600 A 43 LEU HDy% A 43 LEU HA 1.0 1.8 4.6 921 601 A 43 LEU HA A 44 ILE H 1.0 1.8 3.1 922 602 A 43 LEU HA A 43 LEU HBy 1.0 1.8 4.6 923 603 A 43 LEU HBy A 43 LEU HBx 1.0 1.8 3.1 924 604 A 43 LEU HA A 43 LEU HBx 1.0 1.8 3.1 925 605 A 44 ILE H A 43 LEU HBx 1.0 1.8 4.6 926 606 A 50 LEU HDx% A 43 LEU HBx 1.0 1.8 3.1 927 607 A 44 ILE H A 44 ILE HA 1.0 1.8 4.6 928 608 A 44 ILE H A 44 ILE HB 1.0 1.8 3.1 929 609 A 44 ILE HD1% A 44 ILE H 1.0 1.8 6.1 930 610 A 44 ILE H A 44 ILE HG1x 1.0 1.8 4.6 931 610 A 44 ILE H A 44 ILE HG1y 1.0 1.8 4.6 932 611 A 44 ILE H A 68 HIS HBx 1.0 1.8 6.1 933 612 A 44 ILE HA A 44 ILE HB 1.0 1.8 4.6 934 613 A 44 ILE HD1% A 44 ILE HA 1.0 1.8 6.1 935 614 A 44 ILE HA A 44 ILE HG1x 1.0 1.8 3.1 936 614 A 44 ILE HA A 44 ILE HG1y 1.0 1.8 3.1 937 615 A 44 ILE HA A 44 ILE HG2% 1.0 1.8 3.1 938 616 A 44 ILE HA A 45 PHE H 1.0 1.8 3.1 939 617 A 44 ILE HA A 48 LYS HA 1.0 1.8 6.1 940 618 A 44 ILE HA A 49 GLN HBy 1.0 1.8 6.1 941 619 A 44 ILE HA A 49 GLN HG2 1.0 1.8 6.1 942 619 A 44 ILE HA A 49 GLN HG3 1.0 1.8 6.1 943 620 A 44 ILE HA A 50 LEU HG 1.0 1.8 4.6 944 621 A 50 LEU HDx% A 44 ILE HA 1.0 1.8 6.1 945 622 A 50 LEU HDy% A 44 ILE HA 1.0 1.8 6.1 946 623 A 44 ILE HD1% A 44 ILE HB 1.0 1.8 3.1 947 624 A 44 ILE HB A 44 ILE HG1x 1.0 1.8 3.1 948 624 A 44 ILE HB A 44 ILE HG1y 1.0 1.8 3.1 949 625 A 44 ILE HB A 44 ILE HG1x 1.0 1.8 3.1 950 625 A 44 ILE HB A 44 ILE HG1y 1.0 1.8 3.1 951 626 A 44 ILE HB A 68 HIS HBy 1.0 1.8 3.1 952 627 A 44 ILE HB A 68 HIS HBx 1.0 1.8 4.6 953 628 A 44 ILE HD1% A 47 GLY HAx 1.0 1.8 6.1 954 629 A 44 ILE HD1% A 49 GLN HBy 1.0 1.8 6.1 955 630 A 44 ILE HD1% A 49 GLN HG2 1.0 1.8 6.1 956 630 A 44 ILE HD1% A 49 GLN HG3 1.0 1.8 6.1 957 631 A 44 ILE HD1% A 68 HIS HBy 1.0 1.8 4.6 958 632 A 44 ILE HD1% A 68 HIS HBx 1.0 1.8 6.1 959 633 A 48 LYS HA A 44 ILE HG1x 1.0 1.8 6.1 960 633 A 44 ILE HG1y A 48 LYS HA 1.0 1.8 6.1 961 634 A 48 LYS HA A 44 ILE HG1x 1.0 1.8 6.1 962 634 A 44 ILE HG1y A 48 LYS HA 1.0 1.8 6.1 963 635 A 48 LYS HA A 44 ILE HG1x 1.0 1.8 6.1 964 635 A 44 ILE HG1y A 48 LYS HA 1.0 1.8 6.1 965 636 A 49 GLN HBy A 44 ILE HG1x 1.0 1.8 4.6 966 636 A 44 ILE HG1y A 49 GLN HBy 1.0 1.8 4.6 967 637 A 44 ILE HG1x A 49 GLN HG2 1.0 1.8 4.6 968 637 A 44 ILE HG1y A 49 GLN HG2 1.0 1.8 4.6 969 637 A 49 GLN HG3 A 44 ILE HG1x 1.0 1.8 4.6 970 637 A 44 ILE HG1y A 49 GLN HG3 1.0 1.8 4.6 971 638 A 68 HIS HBy A 44 ILE HG1x 1.0 1.8 6.1 972 638 A 44 ILE HG1y A 68 HIS HBy 1.0 1.8 6.1 973 639 A 68 HIS HBx A 44 ILE HG1x 1.0 1.8 6.1 974 639 A 44 ILE HG1y A 68 HIS HBx 1.0 1.8 6.1 975 640 A 44 ILE HB A 44 ILE HG2% 1.0 1.8 3.1 976 641 A 44 ILE HG2% A 44 ILE HG1x 1.0 1.8 4.6 977 641 A 44 ILE HG1y A 44 ILE HG2% 1.0 1.8 4.6 978 642 A 44 ILE HG2% A 44 ILE HG1x 1.0 1.8 4.6 979 642 A 44 ILE HG1y A 44 ILE HG2% 1.0 1.8 4.6 980 643 A 44 ILE HG2% A 44 ILE HG1x 1.0 1.8 4.6 981 643 A 44 ILE HG1y A 44 ILE HG2% 1.0 1.8 4.6 982 644 A 44 ILE HG2% A 45 PHE HA 1.0 1.8 4.6 983 645 A 44 ILE HG2% A 45 PHE HBx 1.0 1.8 6.1 984 646 A 44 ILE HG2% A 45 PHE HBy 1.0 1.8 6.1 985 647 A 44 ILE HG2% A 47 GLY HAx 1.0 1.8 3.1 986 648 A 44 ILE HG2% A 47 GLY HAy 1.0 1.8 4.6 987 649 A 44 ILE HG2% A 48 LYS H 1.0 1.8 4.6 988 650 A 44 ILE HG2% A 48 LYS HA 1.0 1.8 6.1 989 651 A 44 ILE HG2% A 49 GLN HBy 1.0 1.8 6.1 990 652 A 44 ILE HG2% A 68 HIS HBy 1.0 1.8 4.6 991 653 A 68 HIS HBx A 44 ILE HG2% 1.0 1.8 6.1 992 654 A 44 ILE HG2% A 45 PHE H 1.0 1.8 4.6 993 655 A 45 PHE H A 45 PHE HA 1.0 1.8 4.6 994 656 A 45 PHE H A 45 PHE HBx 1.0 1.8 4.6 995 657 A 45 PHE H A 45 PHE HBy 1.0 1.8 3.1 996 658 A 45 PHE H A 48 LYS H 1.0 1.8 4.6 997 659 A 50 LEU HDy% A 45 PHE H 1.0 1.8 4.6 998 660 A 44 ILE HB A 45 PHE HA 1.0 1.8 6.1 999 661 A 45 PHE HA A 45 PHE HBx 1.0 1.8 3.1 1000 662 A 45 PHE HA A 45 PHE HBy 1.0 1.8 4.6 1001 663 A 45 PHE HA A 45 PHE HD% 1.0 1.8 3.1 1002 664 A 50 LEU HDy% A 45 PHE HA 1.0 1.8 6.1 1003 665 A 45 PHE HA A 61 ILE HD1% 1.0 1.8 6.1 1004 666 A 66 THR HG2% A 45 PHE HA 1.0 1.8 6.1 1005 667 A 45 PHE HA A 67 LEU HD1% 1.0 1.8 4.6 1006 667 A 67 LEU HD21 A 45 PHE HA 1.0 1.8 4.6 1007 668 A 45 PHE HBx A 45 PHE HD% 1.0 1.8 3.1 1008 669 A 50 LEU HDx% A 45 PHE HBx 1.0 1.8 4.6 1009 670 A 50 LEU HDy% A 45 PHE HBx 1.0 1.8 4.6 1010 671 A 45 PHE HBx A 61 ILE HD1% 1.0 1.8 4.6 1011 672 A 45 PHE HBx A 61 ILE HG2% 1.0 1.8 6.1 1012 673 A 45 PHE HBx A 67 LEU HA 1.0 1.8 4.6 1013 674 A 45 PHE HBx A 67 LEU HD1% 1.0 1.8 4.6 1014 674 A 67 LEU HD21 A 45 PHE HBx 1.0 1.8 4.6 1015 675 A 45 PHE HBy A 45 PHE HD% 1.0 1.8 3.1 1016 676 A 50 LEU HDx% A 45 PHE HBy 1.0 1.8 4.6 1017 677 A 50 LEU HDy% A 45 PHE HBy 1.0 1.8 4.6 1018 678 A 45 PHE HBy A 61 ILE HD1% 1.0 1.8 4.6 1019 679 A 45 PHE HBy A 61 ILE HG2% 1.0 1.8 6.1 1020 680 A 45 PHE HBy A 67 LEU HA 1.0 1.8 6.1 1021 681 A 45 PHE HBy A 67 LEU HD1% 1.0 1.8 6.1 1022 681 A 67 LEU HD21 A 45 PHE HBy 1.0 1.8 6.1 1023 682 A 45 PHE HZ A 61 ILE HA 1.0 1.8 4.6 1024 683 A 45 PHE HZ A 61 ILE HG1x 1.0 1.8 6.1 1025 683 A 45 PHE HZ A 61 ILE HG1y 1.0 1.8 6.1 1026 684 A 45 PHE HZ A 61 ILE HG1x 1.0 1.8 6.1 1027 684 A 45 PHE HZ A 61 ILE HG1y 1.0 1.8 6.1 1028 685 A 45 PHE HZ A 61 ILE HG1x 1.0 1.8 6.1 1029 685 A 45 PHE HZ A 61 ILE HG1y 1.0 1.8 6.1 1030 686 A 61 ILE HG2% A 45 PHE HZ 1.0 1.8 6.1 1031 687 A 45 PHE HZ A 62 GLN HGx 1.0 1.8 6.1 1032 687 A 45 PHE HZ A 62 GLN HGy 1.0 1.8 6.1 1033 688 A 45 PHE HZ A 65 SER HA 1.0 1.8 4.6 1034 689 A 65 SER HBx A 45 PHE HZ 1.0 1.8 4.6 1035 690 A 65 SER HBy A 45 PHE HZ 1.0 1.8 4.6 1036 691 A 50 LEU HDx% A 45 PHE HD% 1.0 1.8 6.1 1037 692 A 50 LEU HDy% A 45 PHE HD% 1.0 1.8 6.1 1038 693 A 45 PHE HD% A 61 ILE HA 1.0 1.8 6.1 1039 694 A 45 PHE HD% A 61 ILE HG1x 1.0 1.8 4.6 1040 694 A 45 PHE HD% A 61 ILE HG1y 1.0 1.8 4.6 1041 695 A 45 PHE HD% A 61 ILE HG2% 1.0 1.8 6.1 1042 696 A 65 SER HBx A 45 PHE HD% 1.0 1.8 6.1 1043 697 A 65 SER HBy A 45 PHE HD% 1.0 1.8 4.6 1044 698 A 45 PHE HD% A 67 LEU HA 1.0 1.8 4.6 1045 699 A 45 PHE HD% A 67 LEU HD1% 1.0 1.8 4.6 1046 699 A 67 LEU HD21 A 45 PHE HD% 1.0 1.8 4.6 1047 700 A 45 PHE HBx A 45 PHE HE% 1.0 1.8 6.1 1048 701 A 45 PHE HBy A 45 PHE HE% 1.0 1.8 6.1 1049 702 A 61 ILE HA A 45 PHE HE% 1.0 1.8 4.6 1050 703 A 61 ILE HD1% A 45 PHE HE% 1.0 1.8 6.1 1051 704 A 45 PHE HE% A 61 ILE HG1x 1.0 1.8 4.6 1052 704 A 61 ILE HG1y A 45 PHE HE% 1.0 1.8 4.6 1053 705 A 45 PHE HE% A 61 ILE HG1x 1.0 1.8 4.6 1054 705 A 61 ILE HG1y A 45 PHE HE% 1.0 1.8 4.6 1055 706 A 45 PHE HE% A 61 ILE HG1x 1.0 1.8 4.6 1056 706 A 61 ILE HG1y A 45 PHE HE% 1.0 1.8 4.6 1057 707 A 65 SER HA A 45 PHE HE% 1.0 1.8 4.6 1058 708 A 65 SER HBx A 45 PHE HE% 1.0 1.8 4.6 1059 709 A 65 SER HBy A 45 PHE HE% 1.0 1.8 4.6 1060 710 A 45 PHE HE% A 67 LEU HD1% 1.0 1.8 6.1 1061 710 A 67 LEU HD21 A 45 PHE HE% 1.0 1.8 6.1 1062 711 A 46 ALA H A 47 GLY H 1.0 1.8 3.1 1063 712 A 47 GLY HAy A 46 ALA H 1.0 1.8 6.1 1064 713 A 46 ALA HA A 46 ALA HB% 1.0 1.8 3.1 1065 714 A 45 PHE HZ A 46 ALA HB% 1.0 1.8 6.1 1066 715 A 44 ILE HG2% A 47 GLY H 1.0 1.8 3.1 1067 716 A 47 GLY H A 46 ALA HA 1.0 1.8 4.6 1068 717 A 47 GLY HAx A 47 GLY H 1.0 1.8 3.1 1069 718 A 47 GLY HAy A 47 GLY H 1.0 1.8 3.1 1070 719 A 47 GLY HAx A 48 LYS H 1.0 1.8 4.6 1071 720 A 47 GLY HAy A 48 LYS H 1.0 1.8 4.6 1072 721 A 48 LYS H A 48 LYS HB2 1.0 1.8 3.1 1073 721 A 48 LYS H A 48 LYS HB3 1.0 1.8 3.1 1074 722 A 48 LYS HA A 48 LYS HB2 1.0 1.8 3.1 1075 722 A 48 LYS HA A 48 LYS HB3 1.0 1.8 3.1 1076 723 A 48 LYS HA A 48 LYS HG2 1.0 1.8 3.1 1077 723 A 48 LYS HA A 48 LYS HG3 1.0 1.8 3.1 1078 724 A 49 GLN H A 48 LYS HB2 1.0 1.8 4.6 1079 724 A 48 LYS HB3 A 49 GLN H 1.0 1.8 4.6 1080 725 A 50 LEU HDy% A 48 LYS HB2 1.0 1.8 6.1 1081 725 A 50 LEU HDy% A 48 LYS HB3 1.0 1.8 6.1 1082 726 A 50 LEU HG A 49 GLN HA 1.0 1.8 4.6 1083 727 A 49 GLN HBy A 49 GLN HG2 1.0 1.8 3.1 1084 727 A 49 GLN HBy A 49 GLN HG3 1.0 1.8 3.1 1085 728 A 49 GLN HBx A 49 GLN HG2 1.0 1.8 3.1 1086 728 A 49 GLN HG3 A 49 GLN HBx 1.0 1.8 3.1 1087 729 A 50 LEU H A 49 GLN HG2 1.0 1.8 3.1 1088 729 A 49 GLN HG3 A 50 LEU H 1.0 1.8 3.1 1089 730 A 50 LEU HDy% A 49 GLN HG2 1.0 1.8 6.1 1090 730 A 50 LEU HDy% A 49 GLN HG3 1.0 1.8 6.1 1091 731 A 51 GLU HA A 49 GLN HG2 1.0 1.8 6.1 1092 731 A 49 GLN HG3 A 51 GLU HA 1.0 1.8 6.1 1093 732 A 49 GLN HBy A 50 LEU H 1.0 1.8 4.6 1094 733 A 50 LEU HG A 50 LEU H 1.0 1.8 3.1 1095 734 A 50 LEU HDx% A 50 LEU H 1.0 1.8 4.6 1096 735 A 50 LEU HDy% A 50 LEU H 1.0 1.8 4.6 1097 736 A 50 LEU HA A 23 ILE HG1x 1.0 1.8 6.1 1098 736 A 23 ILE HG1y A 50 LEU HA 1.0 1.8 6.1 1099 737 A 50 LEU HA A 50 LEU HBx 1.0 1.8 3.1 1100 737 A 50 LEU HBy A 50 LEU HA 1.0 1.8 3.1 1101 738 A 50 LEU HA A 50 LEU HBx 1.0 1.8 3.1 1102 738 A 50 LEU HBy A 50 LEU HA 1.0 1.8 3.1 1103 739 A 50 LEU HDx% A 50 LEU HA 1.0 1.8 6.1 1104 740 A 50 LEU HDy% A 50 LEU HA 1.0 1.8 3.1 1105 741 A 50 LEU HA A 51 GLU H 1.0 1.8 3.1 1106 742 A 50 LEU HA A 51 GLU HG2 1.0 1.8 6.1 1107 742 A 50 LEU HA A 51 GLU HG3 1.0 1.8 6.1 1108 743 A 59 TYR HD% A 50 LEU HA 1.0 1.8 6.1 1109 744 A 59 TYR HE% A 50 LEU HA 1.0 1.8 4.6 1110 745 A 50 LEU HG A 45 PHE HBx 1.0 1.8 4.6 1111 746 A 50 LEU HG A 45 PHE HBy 1.0 1.8 4.6 1112 747 A 59 TYR HD% A 50 LEU HG 1.0 1.8 6.1 1113 748 A 50 LEU HDx% A 50 LEU HBx 1.0 1.8 3.1 1114 748 A 50 LEU HDx% A 50 LEU HBy 1.0 1.8 3.1 1115 749 A 50 LEU HDx% A 50 LEU HBx 1.0 1.8 3.1 1116 749 A 50 LEU HDx% A 50 LEU HBy 1.0 1.8 3.1 1117 750 A 50 LEU HDy% A 50 LEU HBx 1.0 1.8 4.6 1118 750 A 50 LEU HBy A 50 LEU HDy% 1.0 1.8 4.6 1119 751 A 50 LEU HDy% A 50 LEU HBx 1.0 1.8 4.6 1120 751 A 50 LEU HBy A 50 LEU HDy% 1.0 1.8 4.6 1121 752 A 59 TYR HD% A 50 LEU HBx 1.0 1.8 6.1 1122 752 A 50 LEU HBy A 59 TYR HD% 1.0 1.8 6.1 1123 753 A 59 TYR HE% A 50 LEU HBx 1.0 1.8 4.6 1124 753 A 59 TYR HE% A 50 LEU HBy 1.0 1.8 4.6 1125 754 A 59 TYR HE% A 50 LEU HBx 1.0 1.8 4.6 1126 754 A 59 TYR HE% A 50 LEU HBy 1.0 1.8 4.6 1127 755 A 50 LEU HDx% A 50 LEU HDy% 1.0 1.8 4.6 1128 756 A 50 LEU HDx% A 59 TYR HD% 1.0 1.8 6.1 1129 757 A 50 LEU HDx% A 59 TYR HE% 1.0 1.8 6.1 1130 758 A 50 LEU HDy% A 54 ARG HBx 1.0 1.8 6.1 1131 758 A 50 LEU HDy% A 54 ARG HBy 1.0 1.8 6.1 1132 759 A 50 LEU HDy% A 59 TYR HA 1.0 1.8 6.1 1133 760 A 50 LEU HDy% A 59 TYR HBx 1.0 1.8 4.6 1134 761 A 50 LEU HDy% A 59 TYR HBy 1.0 1.8 4.6 1135 762 A 50 LEU HDy% A 59 TYR HD% 1.0 1.8 4.6 1136 763 A 59 TYR HE% A 50 LEU HDy% 1.0 1.8 4.6 1137 764 A 51 GLU H A 51 GLU HB2 1.0 1.8 4.6 1138 764 A 51 GLU H A 51 GLU HB3 1.0 1.8 4.6 1139 765 A 51 GLU HA A 51 GLU HG2 1.0 1.8 3.1 1140 765 A 51 GLU HA A 51 GLU HG3 1.0 1.8 3.1 1141 766 A 52 ASP H A 52 ASP HBx 1.0 1.8 3.1 1142 766 A 52 ASP H A 52 ASP HBy 1.0 1.8 3.1 1143 767 A 24 GLU HBx A 52 ASP HBx 1.0 1.8 6.1 1144 767 A 24 GLU HBy A 52 ASP HBx 1.0 1.8 6.1 1145 767 A 52 ASP HBy A 24 GLU HBx 1.0 1.8 6.1 1146 767 A 24 GLU HBy A 52 ASP HBy 1.0 1.8 6.1 1147 768 A 52 ASP HA A 52 ASP HBx 1.0 1.8 3.1 1148 768 A 52 ASP HA A 52 ASP HBy 1.0 1.8 3.1 1149 769 A 54 ARG H A 53 GLY HA2 1.0 1.8 4.6 1150 769 A 54 ARG H A 53 GLY HA3 1.0 1.8 4.6 1151 770 A 54 ARG H A 54 ARG HBx 1.0 1.8 3.1 1152 770 A 54 ARG H A 54 ARG HBy 1.0 1.8 3.1 1153 771 A 54 ARG H A 54 ARG HBx 1.0 1.8 3.1 1154 771 A 54 ARG H A 54 ARG HBy 1.0 1.8 3.1 1155 772 A 54 ARG H A 54 ARG HDx 1.0 1.8 6.1 1156 772 A 54 ARG H A 54 ARG HDy 1.0 1.8 6.1 1157 773 A 54 ARG H A 54 ARG HGx 1.0 1.8 4.6 1158 773 A 54 ARG H A 54 ARG HGy 1.0 1.8 4.6 1159 774 A 54 ARG H A 54 ARG HGx 1.0 1.8 4.6 1160 774 A 54 ARG H A 54 ARG HGy 1.0 1.8 4.6 1161 775 A 54 ARG HA A 54 ARG HBx 1.0 1.8 3.1 1162 775 A 54 ARG HBy A 54 ARG HA 1.0 1.8 3.1 1163 776 A 54 ARG HA A 54 ARG HBx 1.0 1.8 3.1 1164 776 A 54 ARG HBy A 54 ARG HA 1.0 1.8 3.1 1165 777 A 54 ARG HA A 54 ARG HDx 1.0 1.8 4.6 1166 777 A 54 ARG HDy A 54 ARG HA 1.0 1.8 4.6 1167 778 A 54 ARG HA A 54 ARG HGx 1.0 1.8 3.1 1168 778 A 54 ARG HGy A 54 ARG HA 1.0 1.8 3.1 1169 779 A 55 THR HG2% A 54 ARG HA 1.0 1.8 6.1 1170 780 A 59 TYR HE% A 54 ARG HA 1.0 1.8 6.1 1171 781 A 54 ARG HBx A 54 ARG HDx 1.0 1.8 3.1 1172 781 A 54 ARG HDy A 54 ARG HBx 1.0 1.8 3.1 1173 781 A 54 ARG HBy A 54 ARG HDy 1.0 1.8 3.1 1174 781 A 54 ARG HBy A 54 ARG HDx 1.0 1.8 3.1 1175 782 A 55 THR H A 54 ARG HBx 1.0 1.8 4.6 1176 782 A 54 ARG HBy A 55 THR H 1.0 1.8 4.6 1177 783 A 59 TYR HD% A 54 ARG HBx 1.0 1.8 6.1 1178 783 A 59 TYR HD% A 54 ARG HBy 1.0 1.8 6.1 1179 784 A 59 TYR HE% A 54 ARG HDx 1.0 1.8 4.6 1180 784 A 59 TYR HE% A 54 ARG HDy 1.0 1.8 4.6 1181 785 A 54 ARG HBx A 54 ARG HGx 1.0 1.8 3.1 1182 785 A 54 ARG HBy A 54 ARG HGx 1.0 1.8 3.1 1183 785 A 54 ARG HGy A 54 ARG HBx 1.0 1.8 3.1 1184 785 A 54 ARG HBy A 54 ARG HGy 1.0 1.8 3.1 1185 786 A 54 ARG HDy A 54 ARG HGx 1.0 1.8 3.1 1186 786 A 54 ARG HDx A 54 ARG HGx 1.0 1.8 3.1 1187 786 A 54 ARG HGy A 54 ARG HDx 1.0 1.8 3.1 1188 786 A 54 ARG HDy A 54 ARG HGy 1.0 1.8 3.1 1189 787 A 59 TYR HE% A 54 ARG HGx 1.0 1.8 6.1 1190 787 A 59 TYR HE% A 54 ARG HGy 1.0 1.8 6.1 1191 788 A 55 THR H A 54 ARG HDx 1.0 1.8 6.1 1192 788 A 54 ARG HDy A 55 THR H 1.0 1.8 6.1 1193 789 A 55 THR HA A 55 THR H 1.0 1.8 3.1 1194 790 A 55 THR HB A 55 THR H 1.0 1.8 4.6 1195 791 A 55 THR HG2% A 55 THR H 1.0 1.8 4.6 1196 792 A 55 THR HA A 55 THR HB 1.0 1.8 3.1 1197 793 A 55 THR HG2% A 55 THR HA 1.0 1.8 3.1 1198 794 A 55 THR HA A 56 LEU H 1.0 1.8 3.1 1199 795 A 55 THR HB A 56 LEU H 1.0 1.8 3.1 1200 796 A 55 THR HB A 57 SER H 1.0 1.8 3.1 1201 797 A 55 THR HB A 58 ASP H 1.0 1.8 4.6 1202 798 A 55 THR HG2% A 55 THR HB 1.0 1.8 3.1 1203 799 A 55 THR HG2% A 58 ASP H 1.0 1.8 6.1 1204 800 A 56 LEU H A 56 LEU HA 1.0 1.8 3.1 1205 801 A 56 LEU H A 56 LEU HG 1.0 1.8 3.1 1206 802 A 56 LEU H A 56 LEU HBx 1.0 1.8 3.1 1207 802 A 56 LEU HBy A 56 LEU H 1.0 1.8 3.1 1208 803 A 56 LEU H A 56 LEU HDx% 1.0 1.8 4.6 1209 803 A 56 LEU HDy% A 56 LEU H 1.0 1.8 4.6 1210 804 A 56 LEU H A 57 SER H 1.0 1.8 3.1 1211 805 A 56 LEU H A 58 ASP H 1.0 1.8 4.6 1212 806 A 56 LEU HA A 56 LEU HG 1.0 1.8 3.1 1213 807 A 56 LEU HA A 56 LEU HBx 1.0 1.8 3.1 1214 807 A 56 LEU HBy A 56 LEU HA 1.0 1.8 3.1 1215 808 A 56 LEU HA A 56 LEU HBx 1.0 1.8 3.1 1216 808 A 56 LEU HBy A 56 LEU HA 1.0 1.8 3.1 1217 809 A 56 LEU HA A 59 TYR H 1.0 1.8 4.6 1218 810 A 56 LEU HA A 59 TYR HD% 1.0 1.8 4.6 1219 811 A 56 LEU HA A 61 ILE HB 1.0 1.8 4.6 1220 812 A 56 LEU HA A 61 ILE HD1% 1.0 1.8 4.6 1221 813 A 56 LEU HG A 56 LEU HBx 1.0 1.8 3.1 1222 813 A 56 LEU HBy A 56 LEU HG 1.0 1.8 3.1 1223 814 A 56 LEU HG A 56 LEU HBx 1.0 1.8 3.1 1224 814 A 56 LEU HBy A 56 LEU HG 1.0 1.8 3.1 1225 815 A 56 LEU HBx A 56 LEU HDx% 1.0 1.8 3.1 1226 815 A 56 LEU HBy A 56 LEU HDx% 1.0 1.8 3.1 1227 816 A 56 LEU HDy% A 56 LEU HBx 1.0 1.8 4.6 1228 816 A 56 LEU HBy A 56 LEU HDy% 1.0 1.8 4.6 1229 817 A 57 SER H A 56 LEU HBx 1.0 1.8 3.1 1230 817 A 56 LEU HBy A 57 SER H 1.0 1.8 3.1 1231 818 A 61 ILE HB A 56 LEU HBx 1.0 1.8 3.1 1232 818 A 56 LEU HBy A 61 ILE HB 1.0 1.8 3.1 1233 819 A 61 ILE HG2% A 56 LEU HBx 1.0 1.8 4.6 1234 819 A 56 LEU HBy A 61 ILE HG2% 1.0 1.8 4.6 1235 820 A 3 ILE HD1% A 56 LEU HDx% 1.0 1.8 6.1 1236 821 A 21 ASP HBy A 56 LEU HDx% 1.0 1.8 6.1 1237 822 A 21 ASP HBx A 56 LEU HDx% 1.0 1.8 4.6 1238 823 A 56 LEU HG A 56 LEU HDx% 1.0 1.8 3.1 1239 824 A 56 LEU HBx A 56 LEU HDx% 1.0 1.8 3.1 1240 824 A 56 LEU HBy A 56 LEU HDx% 1.0 1.8 3.1 1241 825 A 56 LEU HDy% A 56 LEU HA 1.0 1.8 3.1 1242 826 A 56 LEU HDy% A 56 LEU HG 1.0 1.8 3.1 1243 827 A 56 LEU HDy% A 56 LEU HBx 1.0 1.8 4.6 1244 827 A 56 LEU HBy A 56 LEU HDy% 1.0 1.8 4.6 1245 828 A 56 LEU HDy% A 61 ILE HD1% 1.0 1.8 4.6 1246 829 A 56 LEU HA A 57 SER H 1.0 1.8 4.6 1247 830 A 57 SER H A 57 SER HA 1.0 1.8 3.1 1248 831 A 57 SER H A 57 SER HBx 1.0 1.8 3.1 1249 831 A 57 SER HBy A 57 SER H 1.0 1.8 3.1 1250 832 A 57 SER H A 58 ASP H 1.0 1.8 3.1 1251 833 A 57 SER HA A 57 SER HBx 1.0 1.8 3.1 1252 833 A 57 SER HBy A 57 SER HA 1.0 1.8 3.1 1253 834 A 59 TYR H A 57 SER HA 1.0 1.8 4.6 1254 835 A 58 ASP H A 57 SER HBx 1.0 1.8 4.6 1255 835 A 57 SER HBy A 58 ASP H 1.0 1.8 4.6 1256 836 A 58 ASP H A 58 ASP HA 1.0 1.8 3.1 1257 837 A 58 ASP H A 58 ASP HBy 1.0 1.8 3.1 1258 838 A 58 ASP H A 58 ASP HBx 1.0 1.8 4.6 1259 839 A 58 ASP H A 59 TYR H 1.0 1.8 3.1 1260 840 A 58 ASP HA A 58 ASP HBy 1.0 1.8 3.1 1261 841 A 58 ASP HA A 58 ASP HBx 1.0 1.8 3.1 1262 842 A 59 TYR HD% A 58 ASP HBy 1.0 1.8 6.1 1263 843 A 59 TYR HE% A 58 ASP HBy 1.0 1.8 6.1 1264 844 A 59 TYR HD% A 58 ASP HBx 1.0 1.8 4.6 1265 845 A 59 TYR HE% A 58 ASP HBx 1.0 1.8 6.1 1266 846 A 59 TYR H A 58 ASP HBy 1.0 1.8 4.6 1267 847 A 59 TYR HBx A 59 TYR H 1.0 1.8 3.1 1268 848 A 59 TYR HBy A 59 TYR H 1.0 1.8 4.6 1269 849 A 59 TYR H A 60 ASN H 1.0 1.8 3.1 1270 850 A 61 ILE HD1% A 59 TYR H 1.0 1.8 6.1 1271 851 A 59 TYR HA A 59 TYR HBx 1.0 1.8 4.6 1272 852 A 59 TYR HA A 59 TYR HBy 1.0 1.8 3.1 1273 853 A 59 TYR HD% A 59 TYR HA 1.0 1.8 3.1 1274 854 A 59 TYR HA A 60 ASN HA 1.0 1.8 6.1 1275 855 A 61 ILE HD1% A 59 TYR HA 1.0 1.8 6.1 1276 856 A 50 LEU HDy% A 59 TYR HBx 1.0 1.8 4.6 1277 857 A 56 LEU HA A 59 TYR HBx 1.0 1.8 4.6 1278 858 A 59 TYR HD% A 59 TYR HBx 1.0 1.8 3.1 1279 859 A 59 TYR HE% A 59 TYR HBx 1.0 1.8 6.1 1280 860 A 61 ILE HD1% A 59 TYR HBx 1.0 1.8 3.1 1281 861 A 59 TYR HBx A 61 ILE HG1x 1.0 1.8 3.1 1282 861 A 61 ILE HG1y A 59 TYR HBx 1.0 1.8 3.1 1283 862 A 50 LEU HDy% A 59 TYR HBy 1.0 1.8 4.6 1284 863 A 56 LEU HA A 59 TYR HBy 1.0 1.8 6.1 1285 864 A 59 TYR HD% A 59 TYR HBy 1.0 1.8 3.1 1286 865 A 59 TYR HE% A 59 TYR HBy 1.0 1.8 6.1 1287 866 A 61 ILE HD1% A 59 TYR HBy 1.0 1.8 4.6 1288 867 A 59 TYR HBy A 61 ILE HG1x 1.0 1.8 4.6 1289 867 A 61 ILE HG1y A 59 TYR HBy 1.0 1.8 4.6 1290 868 A 59 TYR HBx A 60 ASN H 1.0 1.8 4.6 1291 869 A 60 ASN H A 60 ASN HA 1.0 1.8 3.1 1292 870 A 60 ASN H A 60 ASN HBx 1.0 1.8 4.6 1293 870 A 60 ASN H A 60 ASN HBy 1.0 1.8 4.6 1294 871 A 60 ASN HA A 60 ASN HBx 1.0 1.8 3.1 1295 871 A 60 ASN HA A 60 ASN HBy 1.0 1.8 3.1 1296 872 A 60 ASN HA A 60 ASN HBx 1.0 1.8 3.1 1297 872 A 60 ASN HA A 60 ASN HBy 1.0 1.8 3.1 1298 873 A 60 ASN H A 61 ILE H 1.0 1.8 3.1 1299 874 A 60 ASN HA A 61 ILE H 1.0 1.8 3.1 1300 875 A 61 ILE HA A 61 ILE H 1.0 1.8 3.1 1301 876 A 61 ILE HB A 61 ILE H 1.0 1.8 3.1 1302 877 A 61 ILE HD1% A 61 ILE H 1.0 1.8 4.6 1303 878 A 61 ILE H A 61 ILE HG1x 1.0 1.8 3.1 1304 878 A 61 ILE HG1y A 61 ILE H 1.0 1.8 3.1 1305 879 A 61 ILE H A 61 ILE HG1x 1.0 1.8 3.1 1306 879 A 61 ILE HG1y A 61 ILE H 1.0 1.8 3.1 1307 880 A 61 ILE H A 61 ILE HG1x 1.0 1.8 3.1 1308 880 A 61 ILE HG1y A 61 ILE H 1.0 1.8 3.1 1309 881 A 61 ILE HA A 61 ILE HB 1.0 1.8 4.6 1310 882 A 61 ILE HA A 61 ILE HG1x 1.0 1.8 3.1 1311 882 A 61 ILE HA A 61 ILE HG1y 1.0 1.8 3.1 1312 883 A 61 ILE HA A 61 ILE HG1x 1.0 1.8 3.1 1313 883 A 61 ILE HA A 61 ILE HG1y 1.0 1.8 3.1 1314 884 A 61 ILE HG2% A 61 ILE HA 1.0 1.8 3.1 1315 885 A 61 ILE HA A 62 GLN H 1.0 1.8 3.1 1316 886 A 61 ILE HA A 62 GLN HGx 1.0 1.8 4.6 1317 886 A 61 ILE HA A 62 GLN HGy 1.0 1.8 4.6 1318 887 A 61 ILE HD1% A 61 ILE HB 1.0 1.8 3.1 1319 888 A 61 ILE HB A 61 ILE HG1x 1.0 1.8 3.1 1320 888 A 61 ILE HG1y A 61 ILE HB 1.0 1.8 3.1 1321 889 A 61 ILE HB A 61 ILE HG1x 1.0 1.8 3.1 1322 889 A 61 ILE HG1y A 61 ILE HB 1.0 1.8 3.1 1323 890 A 56 LEU HG A 61 ILE HD1% 1.0 1.8 6.1 1324 891 A 61 ILE HD1% A 61 ILE HG1x 1.0 1.8 3.1 1325 891 A 61 ILE HD1% A 61 ILE HG1y 1.0 1.8 3.1 1326 892 A 61 ILE HD1% A 62 GLN H 1.0 1.8 6.1 1327 893 A 56 LEU HG A 61 ILE HG2% 1.0 1.8 6.1 1328 894 A 61 ILE HG2% A 61 ILE HB 1.0 1.8 3.1 1329 895 A 61 ILE HG2% A 61 ILE HG1x 1.0 1.8 4.6 1330 895 A 61 ILE HG2% A 61 ILE HG1y 1.0 1.8 4.6 1331 896 A 61 ILE HG2% A 61 ILE HG1x 1.0 1.8 4.6 1332 896 A 61 ILE HG2% A 61 ILE HG1y 1.0 1.8 4.6 1333 897 A 61 ILE HG2% A 61 ILE HG1x 1.0 1.8 4.6 1334 897 A 61 ILE HG2% A 61 ILE HG1y 1.0 1.8 4.6 1335 898 A 61 ILE HG2% A 62 GLN HA 1.0 1.8 6.1 1336 899 A 61 ILE HG2% A 65 SER HA 1.0 1.8 6.1 1337 900 A 65 SER HBx A 61 ILE HG2% 1.0 1.8 3.1 1338 901 A 65 SER HBy A 61 ILE HG2% 1.0 1.8 4.6 1339 902 A 62 GLN H A 62 GLN HBx 1.0 1.8 3.1 1340 903 A 62 GLN H A 62 GLN HBy 1.0 1.8 4.6 1341 904 A 62 GLN H A 62 GLN HGx 1.0 1.8 3.1 1342 904 A 62 GLN HGy A 62 GLN H 1.0 1.8 3.1 1343 905 A 62 GLN HA A 62 GLN HGx 1.0 1.8 3.1 1344 905 A 62 GLN HGy A 62 GLN HA 1.0 1.8 3.1 1345 906 A 62 GLN HA A 62 GLN HGx 1.0 1.8 3.1 1346 906 A 62 GLN HGy A 62 GLN HA 1.0 1.8 3.1 1347 907 A 62 GLN HA A 62 GLN HGx 1.0 1.8 3.1 1348 907 A 62 GLN HGy A 62 GLN HA 1.0 1.8 3.1 1349 908 A 62 GLN HA A 62 GLN HBx 1.0 1.8 4.6 1350 909 A 62 GLN HBx A 63 LYS H 1.0 1.8 4.6 1351 910 A 62 GLN HA A 62 GLN HBy 1.0 1.8 3.1 1352 911 A 62 GLN HBy A 63 LYS H 1.0 1.8 3.1 1353 912 A 63 LYS HA A 63 LYS H 1.0 1.8 3.1 1354 913 A 63 LYS H A 63 LYS HBx 1.0 1.8 3.1 1355 913 A 63 LYS HBy A 63 LYS H 1.0 1.8 3.1 1356 914 A 63 LYS H A 63 LYS HG2 1.0 1.8 4.6 1357 914 A 63 LYS HG3 A 63 LYS H 1.0 1.8 4.6 1358 915 A 64 GLU H A 63 LYS H 1.0 1.8 4.6 1359 916 A 1 MET HA A 63 LYS HA 1.0 1.8 6.1 1360 917 A 63 LYS HA A 1 MET HG2 1.0 1.8 6.1 1361 917 A 1 MET HG3 A 63 LYS HA 1.0 1.8 6.1 1362 918 A 63 LYS HA A 62 GLN HA 1.0 1.8 4.6 1363 919 A 63 LYS HA A 63 LYS HBx 1.0 1.8 3.1 1364 919 A 63 LYS HBy A 63 LYS HA 1.0 1.8 3.1 1365 920 A 63 LYS HA A 63 LYS HBx 1.0 1.8 3.1 1366 920 A 63 LYS HBy A 63 LYS HA 1.0 1.8 3.1 1367 921 A 63 LYS HA A 63 LYS HG2 1.0 1.8 3.1 1368 921 A 63 LYS HG3 A 63 LYS HA 1.0 1.8 3.1 1369 922 A 63 LYS HA A 64 GLU H 1.0 1.8 3.1 1370 923 A 63 LYS HA A 65 SER H 1.0 1.8 4.6 1371 924 A 63 LYS HBx A 63 LYS HG2 1.0 1.8 3.1 1372 924 A 63 LYS HBy A 63 LYS HG2 1.0 1.8 3.1 1373 924 A 63 LYS HG3 A 63 LYS HBx 1.0 1.8 3.1 1374 924 A 63 LYS HBy A 63 LYS HG3 1.0 1.8 3.1 1375 925 A 63 LYS HG3 A 64 GLU HBx 1.0 1.8 6.1 1376 925 A 63 LYS HG2 A 64 GLU HBx 1.0 1.8 6.1 1377 925 A 64 GLU HBy A 63 LYS HG2 1.0 1.8 6.1 1378 925 A 63 LYS HG3 A 64 GLU HBy 1.0 1.8 6.1 1379 926 A 63 LYS HG3 A 64 GLU HBx 1.0 1.8 6.1 1380 926 A 63 LYS HG2 A 64 GLU HBx 1.0 1.8 6.1 1381 926 A 64 GLU HBy A 63 LYS HG2 1.0 1.8 6.1 1382 926 A 63 LYS HG3 A 64 GLU HBy 1.0 1.8 6.1 1383 927 A 63 LYS HG3 A 64 GLU HBx 1.0 1.8 6.1 1384 927 A 63 LYS HG2 A 64 GLU HBx 1.0 1.8 6.1 1385 927 A 64 GLU HBy A 63 LYS HG2 1.0 1.8 6.1 1386 927 A 63 LYS HG3 A 64 GLU HBy 1.0 1.8 6.1 1387 928 A 63 LYS HG3 A 64 GLU HG2 1.0 1.8 3.1 1388 928 A 63 LYS HG2 A 64 GLU HG2 1.0 1.8 3.1 1389 928 A 64 GLU HG3 A 63 LYS HG2 1.0 1.8 3.1 1390 928 A 63 LYS HG3 A 64 GLU HG3 1.0 1.8 3.1 1391 929 A 3 ILE HG2% A 64 GLU H 1.0 1.8 4.6 1392 930 A 64 GLU H A 64 GLU HA 1.0 1.8 3.1 1393 931 A 64 GLU H A 64 GLU HG2 1.0 1.8 3.1 1394 931 A 64 GLU HG3 A 64 GLU H 1.0 1.8 3.1 1395 932 A 64 GLU H A 65 SER H 1.0 1.8 4.6 1396 933 A 63 LYS HA A 64 GLU HA 1.0 1.8 6.1 1397 934 A 64 GLU HA A 63 LYS HG2 1.0 1.8 4.6 1398 934 A 63 LYS HG3 A 64 GLU HA 1.0 1.8 4.6 1399 935 A 64 GLU HA A 64 GLU HBx 1.0 1.8 3.1 1400 935 A 64 GLU HA A 64 GLU HBy 1.0 1.8 3.1 1401 936 A 64 GLU HA A 64 GLU HG2 1.0 1.8 3.1 1402 936 A 64 GLU HG3 A 64 GLU HA 1.0 1.8 3.1 1403 937 A 4 PHE HE% A 64 GLU HBx 1.0 1.8 4.6 1404 937 A 64 GLU HBy A 4 PHE HE% 1.0 1.8 4.6 1405 938 A 64 GLU HA A 64 GLU HBx 1.0 1.8 3.1 1406 938 A 64 GLU HA A 64 GLU HBy 1.0 1.8 3.1 1407 939 A 3 ILE HG2% A 65 SER H 1.0 1.8 3.1 1408 940 A 64 GLU HA A 65 SER H 1.0 1.8 3.1 1409 941 A 65 SER H A 65 SER HBx 1.0 1.8 3.1 1410 942 A 65 SER H A 65 SER HBy 1.0 1.8 4.6 1411 943 A 65 SER HBx A 65 SER HA 1.0 1.8 3.1 1412 944 A 65 SER HBy A 65 SER HA 1.0 1.8 3.1 1413 945 A 65 SER HA A 67 LEU HD1% 1.0 1.8 6.1 1414 945 A 67 LEU HD21 A 65 SER HA 1.0 1.8 6.1 1415 946 A 65 SER HBx A 61 ILE HG1x 1.0 1.8 6.1 1416 946 A 65 SER HBx A 61 ILE HG1y 1.0 1.8 6.1 1417 947 A 65 SER HBx A 67 LEU HD1% 1.0 1.8 4.6 1418 947 A 65 SER HBx A 67 LEU HD21 1.0 1.8 4.6 1419 948 A 65 SER HBy A 67 LEU HD1% 1.0 1.8 4.6 1420 948 A 65 SER HBy A 67 LEU HD21 1.0 1.8 4.6 1421 949 A 66 THR HA A 66 THR H 1.0 1.8 3.1 1422 950 A 66 THR H A 66 THR HB 1.0 1.8 3.1 1423 951 A 66 THR HA A 66 THR HB 1.0 1.8 4.6 1424 952 A 66 THR HA A 66 THR HG2% 1.0 1.8 4.6 1425 953 A 66 THR HA A 67 LEU H 1.0 1.8 3.1 1426 954 A 66 THR HA A 67 LEU HD1% 1.0 1.8 4.6 1427 954 A 66 THR HA A 67 LEU HD21 1.0 1.8 4.6 1428 955 A 66 THR HG2% A 66 THR HB 1.0 1.8 3.1 1429 956 A 66 THR HG2% A 67 LEU H 1.0 1.8 4.6 1430 957 A 66 THR HG2% A 67 LEU HBx 1.0 1.8 6.1 1431 957 A 66 THR HG2% A 67 LEU HBy 1.0 1.8 6.1 1432 958 A 67 LEU H A 67 LEU HBx 1.0 1.8 3.1 1433 958 A 67 LEU H A 67 LEU HBy 1.0 1.8 3.1 1434 959 A 67 LEU H A 67 LEU HD1% 1.0 1.8 4.6 1435 960 A 67 LEU HA A 67 LEU HBx 1.0 1.8 3.1 1436 960 A 67 LEU HBy A 67 LEU HA 1.0 1.8 3.1 1437 961 A 67 LEU HA A 67 LEU HD1% 1.0 1.8 4.6 1438 961 A 67 LEU HD21 A 67 LEU HA 1.0 1.8 4.6 1439 962 A 67 LEU HA A 68 HIS H 1.0 1.8 3.1 1440 963 A 67 LEU HA A 67 LEU HG 1.0 1.8 4.6 1441 964 A 67 LEU HG A 67 LEU HD1% 1.0 1.8 3.1 1442 965 A 67 LEU HBy A 67 LEU HD1% 1.0 1.8 4.6 1443 965 A 67 LEU HD21 A 67 LEU HBx 1.0 1.8 4.6 1444 965 A 67 LEU HBy A 67 LEU HD21 1.0 1.8 4.6 1445 965 A 67 LEU HBx A 67 LEU HD1% 1.0 1.8 4.6 1446 966 A 67 LEU HBy A 67 LEU HD1% 1.0 1.8 4.6 1447 966 A 67 LEU HD21 A 67 LEU HBx 1.0 1.8 4.6 1448 966 A 67 LEU HBy A 67 LEU HD21 1.0 1.8 4.6 1449 966 A 67 LEU HBx A 67 LEU HD1% 1.0 1.8 4.6 1450 967 A 68 HIS H A 67 LEU HBx 1.0 1.8 4.6 1451 967 A 67 LEU HBy A 68 HIS H 1.0 1.8 4.6 1452 968 A 68 HIS H A 68 HIS HD2 1.0 1.8 4.6 1453 969 A 68 HIS HBy A 68 HIS H 1.0 1.8 3.1 1454 970 A 68 HIS HBx A 68 HIS H 1.0 1.8 4.6 1455 971 A 68 HIS HA A 68 HIS HD2 1.0 1.8 4.6 1456 972 A 68 HIS HA A 69 ILE H 1.0 1.8 3.1 1457 973 A 68 HIS HBy A 44 ILE HG1x 1.0 1.8 6.1 1458 973 A 44 ILE HG1y A 68 HIS HBy 1.0 1.8 6.1 1459 974 A 68 HIS HA A 68 HIS HBy 1.0 1.8 4.6 1460 975 A 68 HIS HBy A 70 VAL HGy% 1.0 1.8 6.1 1461 975 A 70 VAL HGx% A 68 HIS HBy 1.0 1.8 6.1 1462 976 A 68 HIS HBx A 44 ILE HG1x 1.0 1.8 6.1 1463 976 A 44 ILE HG1y A 68 HIS HBx 1.0 1.8 6.1 1464 977 A 68 HIS HA A 68 HIS HBx 1.0 1.8 3.1 1465 978 A 68 HIS HBx A 70 VAL HGy% 1.0 1.8 6.1 1466 978 A 70 VAL HGx% A 68 HIS HBx 1.0 1.8 6.1 1467 979 A 68 HIS HBy A 68 HIS HD2 1.0 1.8 4.6 1468 980 A 68 HIS HBx A 68 HIS HD2 1.0 1.8 4.6 1469 981 A 68 HIS HBx A 68 HIS HE1 1.0 1.8 6.1 1470 982 A 69 ILE HB A 69 ILE H 1.0 1.8 4.6 1471 983 A 69 ILE HG2% A 69 ILE H 1.0 1.8 4.6 1472 984 A 68 HIS HA A 69 ILE HA 1.0 1.8 4.6 1473 985 A 69 ILE HB A 69 ILE HA 1.0 1.8 3.1 1474 986 A 69 ILE HG2% A 69 ILE HA 1.0 1.8 4.6 1475 987 A 70 VAL H A 69 ILE HA 1.0 1.8 3.1 1476 988 A 69 ILE HB A 69 ILE HG2% 1.0 1.8 3.1 1477 989 A 5 VAL HB A 69 ILE HD1% 1.0 1.8 4.6 1478 990 A 69 ILE HD1% A 7 GLY HAx 1.0 1.8 4.6 1479 991 A 7 GLY HAy A 69 ILE HD1% 1.0 1.8 4.6 1480 992 A 34 THR HG2% A 69 ILE HD1% 1.0 1.8 4.6 1481 993 A 69 ILE HB A 69 ILE HD1% 1.0 1.8 3.1 1482 994 A 69 ILE HA A 69 ILE HG1y 1.0 1.8 4.6 1483 994 A 69 ILE HA A 69 ILE HG1x 1.0 1.8 4.6 1484 995 A 70 VAL H A 70 VAL HA 1.0 1.8 4.6 1485 996 A 70 VAL H A 70 VAL HB 1.0 1.8 4.6 1486 997 A 70 VAL H A 70 VAL HGy% 1.0 1.8 3.1 1487 998 A 70 VAL HA A 70 VAL HB 1.0 1.8 3.1 1488 999 A 70 VAL HA A 70 VAL HGx% 1.0 1.8 3.1 1489 1000 A 70 VAL HA A 70 VAL HGy% 1.0 1.8 4.6 1490 1001 A 70 VAL HA A 70 VAL HGy% 1.0 1.8 3.1 1491 1001 A 70 VAL HA A 70 VAL HGx% 1.0 1.8 3.1 1492 1002 A 71 TRP H A 70 VAL HA 1.0 1.8 3.1 1493 1003 A 71 TRP HA A 70 VAL HA 1.0 1.8 6.1 1494 1004 A 70 VAL HA A 71 TRP HBx 1.0 1.8 6.1 1495 1004 A 71 TRP HBy A 70 VAL HA 1.0 1.8 6.1 1496 1005 A 70 VAL HGx% A 70 VAL HB 1.0 1.8 3.1 1497 1006 A 71 TRP H A 70 VAL HB 1.0 1.8 4.6 1498 1007 A 42 ARG HGx A 70 VAL HGy% 1.0 1.8 6.1 1499 1007 A 42 ARG HGy A 70 VAL HGy% 1.0 1.8 6.1 1500 1008 A 68 HIS HBy A 70 VAL HGy% 1.0 1.8 6.1 1501 1009 A 68 HIS HBx A 70 VAL HGy% 1.0 1.8 6.1 1502 1010 A 70 VAL HB A 70 VAL HGy% 1.0 1.8 3.1 1503 1011 A 71 TRP H A 71 TRP HA 1.0 1.8 3.1 1504 1012 A 71 TRP H A 71 TRP HBx 1.0 1.8 4.6 1505 1012 A 71 TRP H A 71 TRP HBy 1.0 1.8 4.6 1506 1013 A 71 TRP HA A 71 TRP HD1 1.0 1.8 4.6 1507 1014 A 71 TRP HE3 A 71 TRP HA 1.0 1.8 6.1 1508 1015 A 71 TRP HA A 71 TRP HBx 1.0 1.8 3.1 1509 1015 A 71 TRP HA A 71 TRP HBy 1.0 1.8 3.1 1510 1016 A 36 LEU HDy% A 71 TRP HD1 1.0 1.8 6.1 1511 1017 A 71 TRP HD1 A 72 ARG HA 1.0 1.8 6.1 1512 1018 A 71 TRP HD1 A 73 LEU HD1% 1.0 1.8 6.1 1513 1018 A 71 TRP HD1 A 73 LEU HD2% 1.0 1.8 6.1 1514 1019 A 71 TRP HH2 A 73 LEU HD1% 1.0 1.8 6.1 1515 1019 A 73 LEU HD2% A 71 TRP HH2 1.0 1.8 6.1 1516 1020 A 71 TRP HZ2 A 73 LEU HD1% 1.0 1.8 4.6 1517 1020 A 73 LEU HD2% A 71 TRP HZ2 1.0 1.8 4.6 1518 1021 A 71 TRP HA A 71 TRP HBx 1.0 1.8 3.1 1519 1021 A 71 TRP HA A 71 TRP HBy 1.0 1.8 3.1 1520 1022 A 71 TRP HD1 A 71 TRP HBx 1.0 1.8 4.6 1521 1022 A 71 TRP HBy A 71 TRP HD1 1.0 1.8 4.6 1522 1023 A 71 TRP HD1 A 71 TRP HBx 1.0 1.8 4.6 1523 1023 A 71 TRP HBy A 71 TRP HD1 1.0 1.8 4.6 1524 1024 A 71 TRP HE3 A 71 TRP HBx 1.0 1.8 3.1 1525 1024 A 71 TRP HE3 A 71 TRP HBy 1.0 1.8 3.1 1526 1025 A 71 TRP HE3 A 71 TRP HBx 1.0 1.8 3.1 1527 1025 A 71 TRP HE3 A 71 TRP HBy 1.0 1.8 3.1 1528 1026 A 72 ARG HA A 71 TRP HBx 1.0 1.8 6.1 1529 1026 A 71 TRP HBy A 72 ARG HA 1.0 1.8 6.1 1530 1027 A 71 TRP HBx A 72 ARG HB2 1.0 1.8 6.1 1531 1027 A 71 TRP HBy A 72 ARG HB2 1.0 1.8 6.1 1532 1027 A 72 ARG HB3 A 71 TRP HBx 1.0 1.8 6.1 1533 1027 A 71 TRP HBy A 72 ARG HB3 1.0 1.8 6.1 1534 1028 A 71 TRP HA A 72 ARG H 1.0 1.8 3.1 1535 1029 A 72 ARG H A 71 TRP HBx 1.0 1.8 4.6 1536 1029 A 71 TRP HBy A 72 ARG H 1.0 1.8 4.6 1537 1030 A 72 ARG H A 72 ARG HG2 1.0 1.8 4.6 1538 1030 A 72 ARG H A 72 ARG HG3 1.0 1.8 4.6 1539 1031 A 72 ARG HA A 72 ARG HD2 1.0 1.8 6.1 1540 1031 A 72 ARG HA A 72 ARG HD3 1.0 1.8 6.1 1541 1032 A 72 ARG HA A 72 ARG HG2 1.0 1.8 3.1 1542 1032 A 72 ARG HA A 72 ARG HG3 1.0 1.8 3.1 1543 1033 A 73 LEU H A 73 LEU HA 1.0 1.8 3.1 1544 1034 A 73 LEU H A 73 LEU HBx 1.0 1.8 3.1 1545 1034 A 73 LEU H A 73 LEU HBy 1.0 1.8 3.1 1546 1035 A 73 LEU HA A 73 LEU HBx 1.0 1.8 3.1 1547 1035 A 73 LEU HA A 73 LEU HBy 1.0 1.8 3.1 1548 1036 A 73 LEU HA A 73 LEU HD1% 1.0 1.8 4.6 1549 1036 A 73 LEU HD2% A 73 LEU HA 1.0 1.8 4.6 1550 1037 A 73 LEU HBx A 73 LEU HD1% 1.0 1.8 3.1 1551 1037 A 73 LEU HBy A 73 LEU HD1% 1.0 1.8 3.1 1552 1037 A 73 LEU HD2% A 73 LEU HBx 1.0 1.8 3.1 1553 1037 A 73 LEU HD2% A 73 LEU HBy 1.0 1.8 3.1 1554 1038 A 73 LEU HBx A 73 LEU HD1% 1.0 1.8 3.1 1555 1038 A 73 LEU HBy A 73 LEU HD1% 1.0 1.8 3.1 1556 1038 A 73 LEU HD2% A 73 LEU HBx 1.0 1.8 3.1 1557 1038 A 73 LEU HD2% A 73 LEU HBy 1.0 1.8 3.1 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type . 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 GLN C A 3 ILE N A 3 ILE CA A 3 ILE C 1.0 -190.2 -70.2 PHI 2 2 A 4 PHE C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -190.1 -70.1 PHI 3 3 A 5 VAL C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -190.7 -70.7 PHI 4 4 A 12 THR C A 13 THR N A 13 THR CA A 13 THR C 1.0 -190.9 -70.9 PHI 5 5 A 13 THR C A 14 THR N A 14 THR CA A 14 THR C 1.0 -191.3 -71.3 PHI 6 6 A 15 LEU C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -190.8 -70.8 PHI 7 7 A 17 VAL C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -189.8 -69.8 PHI 8 8 A 20 SER C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -170.3 -50.3 PHI 9 9 A 21 ASP C A 22 THR N A 22 THR CA A 22 THR C 1.0 -178.5 -58.5 PHI 10 10 A 24 GLU C A 25 ASN N A 25 ASN CA A 25 ASN C 1.0 -172.4 -52.4 PHI 11 11 A 25 ASN C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -166.7 -46.7 PHI 12 12 A 27 LYS C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -167.1 -47.1 PHI 13 13 A 28 ALA C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -171.3 -51.3 PHI 14 14 A 30 ILE C A 31 GLN N A 31 GLN CA A 31 GLN C 1.0 -159.1 -39.1 PHI 15 15 A 31 GLN C A 32 ASP N A 32 ASP CA A 32 ASP C 1.0 -152.4 -32.4 PHI 16 16 A 35 GLY C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -179.5 -39.5 PHI 17 17 A 38 PRO C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -170.9 -50.9 PHI 18 18 A 39 ASP C A 40 GLN N A 40 GLN CA A 40 GLN C 1.0 -191.9 -71.9 PHI 19 19 A 42 ARG C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -191.9 -71.9 PHI 20 20 A 48 LYS C A 49 GLN N A 49 GLN CA A 49 GLN C 1.0 -176.6 -56.6 PHI 21 21 A 51 GLU C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -120.0 0.0 PHI 22 22 A 53 GLY C A 54 ARG N A 54 ARG CA A 54 ARG C 1.0 -191.8 -71.8 PHI 23 23 A 55 THR C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -150.4 -30.4 PHI 24 24 A 56 LEU C A 57 SER N A 57 SER CA A 57 SER C 1.0 -152.5 -32.5 PHI 25 25 A 57 SER C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -160.3 -40.3 PHI 26 26 A 58 ASP C A 59 TYR N A 59 TYR CA A 59 TYR C 1.0 -190.3 -70.3 PHI 27 27 A 62 GLN C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -120.0 0.0 PHI 28 28 A 64 GLU C A 65 SER N A 65 SER CA A 65 SER C 1.0 -174.4 -54.4 PHI 29 29 A 65 SER C A 66 THR N A 66 THR CA A 66 THR C 1.0 -191.7 -71.7 PHI stop_ save_ save_CNS/XPLOR_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_6 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 GLN N A 2 GLN CA A 2 GLN C 1.0 -216.60 -12.20 PHI 2 2 A 2 GLN N A 2 GLN CA A 2 GLN C A 3 ILE N 1.0 92.80 212.00 PSI 3 3 A 2 GLN C A 3 ILE N A 3 ILE CA A 3 ILE C 1.0 -169.30 -106.90 PHI 4 4 A 3 ILE N A 3 ILE CA A 3 ILE C A 4 PHE N 1.0 119.00 204.60 PSI 5 5 A 3 ILE C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -212.60 -51.80 PHI 6 6 A 4 PHE N A 4 PHE CA A 4 PHE C A 5 VAL N 1.0 106.70 200.70 PSI 7 7 A 4 PHE C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -163.00 -69.00 PHI 8 8 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 LYS N 1.0 84.60 166.60 PSI 9 9 A 5 VAL C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -176.50 -39.30 PHI 10 10 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 GLY N 1.0 46.10 223.70 PSI 11 11 A 7 GLY C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -103.50 -27.90 PHI 12 12 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 THR N 1.0 -83.70 40.30 PSI 13 13 A 8 LEU C A 9 THR N A 9 THR CA A 9 THR C 1.0 -147.90 -27.90 PHI 14 14 A 9 THR N A 9 THR CA A 9 THR C A 10 GLY N 1.0 -66.05 70.55 PSI 15 15 A 10 GLY C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -161.60 -5.20 PHI 16 16 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 THR N 1.0 63.70 232.90 PSI 17 17 A 11 LYS C A 12 THR N A 12 THR CA A 12 THR C 1.0 -155.10 -16.30 PHI 18 18 A 12 THR N A 12 THR CA A 12 THR C A 13 THR N 1.0 51.60 182.80 PSI 19 19 A 12 THR C A 13 THR N A 13 THR CA A 13 THR C 1.0 -159.50 -55.10 PHI 20 20 A 13 THR N A 13 THR CA A 13 THR C A 14 THR N 1.0 78.20 176.60 PSI 21 21 A 13 THR C A 14 THR N A 14 THR CA A 14 THR C 1.0 -190.10 -31.30 PHI 22 22 A 14 THR N A 14 THR CA A 14 THR C A 15 LEU N 1.0 81.00 172.20 PSI 23 23 A 14 THR C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -187.70 -78.90 PHI 24 24 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 GLU N 1.0 71.40 227.80 PSI 25 25 A 15 LEU C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -215.20 2.80 PHI 26 26 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 VAL N 1.0 18.30 261.50 PSI 27 27 A 16 GLU C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -165.40 -106.20 PHI 28 28 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 GLU N 1.0 140.00 196.80 PSI 29 29 A 17 VAL C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -229.90 20.90 PHI 30 30 A 18 GLU N A 18 GLU CA A 18 GLU C A 19 PRO N 1.0 5.70 256.10 PSI 31 31 A 19 PRO C A 20 SER N A 20 SER CA A 20 SER C 1.0 -157.10 -21.10 PHI 32 32 A 20 SER N A 20 SER CA A 20 SER C A 21 ASP N 1.0 -57.25 44.95 PSI 33 33 A 21 ASP C A 22 THR N A 22 THR CA A 22 THR C 1.0 -247.80 9.40 PHI 34 34 A 22 THR N A 22 THR CA A 22 THR C A 23 ILE N 1.0 112.70 199.10 PSI 35 35 A 22 THR C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -97.30 -29.70 PHI 36 36 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 GLU N 1.0 -74.00 4.40 PSI 37 37 A 23 ILE C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -89.60 -40.80 PHI 38 38 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 ASN N 1.0 -69.50 -5.90 PSI 39 39 A 24 GLU C A 25 ASN N A 25 ASN CA A 25 ASN C 1.0 -95.30 -34.10 PHI 40 40 A 25 ASN N A 25 ASN CA A 25 ASN C A 26 VAL N 1.0 -63.80 -17.40 PSI 41 41 A 25 ASN C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -80.20 -48.20 PHI 42 42 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 LYS N 1.0 -55.10 -27.50 PSI 43 43 A 26 VAL C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -80.60 -42.60 PHI 44 44 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 ALA N 1.0 -69.40 -14.60 PSI 45 45 A 27 LYS C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -89.70 -45.30 PHI 46 46 A 28 ALA N A 28 ALA CA A 28 ALA C A 29 LYS N 1.0 -59.80 -14.60 PSI 47 47 A 28 ALA C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -91.80 -33.00 PHI 48 48 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 ILE N 1.0 -74.30 -14.30 PSI 49 49 A 29 LYS C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -89.30 -39.30 PHI 50 50 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 GLN N 1.0 -70.60 -5.00 PSI 51 51 A 30 ILE C A 31 GLN N A 31 GLN CA A 31 GLN C 1.0 -89.90 -39.10 PHI 52 52 A 31 GLN N A 31 GLN CA A 31 GLN C A 32 ASP N 1.0 -81.00 -1.00 PSI 53 53 A 31 GLN C A 32 ASP N A 32 ASP CA A 32 ASP C 1.0 -102.10 -28.10 PHI 54 54 A 32 ASP N A 32 ASP CA A 32 ASP C A 33 LYS N 1.0 -85.20 12.00 PSI 55 55 A 32 ASP C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -115.00 -54.20 PHI 56 56 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 THR N 1.0 -92.55 40.05 PSI 57 57 A 33 LYS C A 34 THR N A 34 THR CA A 34 THR C 1.0 -164.70 -65.90 PHI 58 58 A 34 THR N A 34 THR CA A 34 THR C A 35 GLY N 1.0 -54.75 33.85 PSI 59 59 A 35 GLY C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -153.50 -13.50 PHI 60 60 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 PRO N 1.0 80.50 183.70 PSI 61 61 A 38 PRO C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -85.20 -48.80 PHI 62 62 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 GLN N 1.0 -68.40 10.00 PSI 63 63 A 39 ASP C A 40 GLN N A 40 GLN CA A 40 GLN C 1.0 -127.90 -54.70 PHI 64 64 A 40 GLN N A 40 GLN CA A 40 GLN C A 41 GLN N 1.0 -70.80 49.20 PSI 65 65 A 41 GLN C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -174.40 -31.20 PHI 66 66 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 LEU N 1.0 38.60 198.60 PSI 67 67 A 42 ARG C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -161.00 -55.00 PHI 68 68 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 ILE N 1.0 73.90 189.50 PSI 69 69 A 43 LEU C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -147.60 -102.40 PHI 70 70 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 PHE N 1.0 94.60 172.60 PSI 71 71 A 44 ILE C A 45 PHE N A 45 PHE CA A 45 PHE C 1.0 -184.40 -71.60 PHI 72 72 A 45 PHE N A 45 PHE CA A 45 PHE C A 46 ALA N 1.0 75.40 165.40 PSI 73 73 A 45 PHE C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 15.00 95.00 PHI 74 74 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 GLY N 1.0 0.90 80.90 PSI 75 75 A 49 GLN C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -187.60 3.60 PHI 76 76 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 GLU N 1.0 32.80 219.60 PSI 77 77 A 50 LEU C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -180.80 3.20 PHI 78 78 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 ASP N 1.0 106.80 202.00 PSI 79 79 A 53 GLY C A 54 ARG N A 54 ARG CA A 54 ARG C 1.0 -217.50 -9.50 PHI 80 80 A 54 ARG N A 54 ARG CA A 54 ARG C A 55 THR N 1.0 130.70 190.70 PSI 81 81 A 54 ARG C A 55 THR N A 55 THR CA A 55 THR C 1.0 -187.90 -40.70 PHI 82 82 A 55 THR N A 55 THR CA A 55 THR C A 56 LEU N 1.0 120.90 212.90 PSI 83 83 A 55 THR C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -109.60 -18.80 PHI 84 84 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 SER N 1.0 -86.70 20.90 PSI 85 85 A 56 LEU C A 57 SER N A 57 SER CA A 57 SER C 1.0 -100.20 -33.00 PHI 86 86 A 57 SER N A 57 SER CA A 57 SER C A 58 ASP N 1.0 -82.00 20.00 PSI 87 87 A 57 SER C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -88.10 -38.90 PHI 88 88 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 TYR N 1.0 -66.90 7.50 PSI 89 89 A 58 ASP C A 59 TYR N A 59 TYR CA A 59 TYR C 1.0 -113.10 -62.30 PHI 90 90 A 59 TYR N A 59 TYR CA A 59 TYR C A 60 ASN N 1.0 -31.90 38.50 PSI 91 91 A 59 TYR C A 60 ASN N A 60 ASN CA A 60 ASN C 1.0 11.80 118.20 PHI 92 92 A 60 ASN N A 60 ASN CA A 60 ASN C A 61 ILE N 1.0 -42.25 98.35 PSI 93 93 A 61 ILE C A 62 GLN N A 62 GLN CA A 62 GLN C 1.0 -188.80 -30.40 PHI 94 94 A 62 GLN N A 62 GLN CA A 62 GLN C A 63 LYS N 1.0 104.40 206.40 PSI 95 95 A 64 GLU C A 65 SER N A 65 SER CA A 65 SER C 1.0 -115.70 -34.90 PHI 96 96 A 65 SER N A 65 SER CA A 65 SER C A 66 THR N 1.0 47.50 233.10 PSI 97 97 A 65 SER C A 66 THR N A 66 THR CA A 66 THR C 1.0 -155.60 -43.20 PHI 98 98 A 66 THR N A 66 THR CA A 66 THR C A 67 LEU N 1.0 93.70 160.50 PSI 99 99 A 66 THR C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -167.30 -58.50 PHI 100 100 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 HIS N 1.0 80.90 200.90 PSI 101 101 A 67 LEU C A 68 HIS N A 68 HIS CA A 68 HIS C 1.0 -167.00 -61.80 PHI 102 102 A 68 HIS N A 68 HIS CA A 68 HIS C A 69 ILE N 1.0 89.20 184.80 PSI 103 103 A 68 HIS C A 69 ILE N A 69 ILE CA A 69 ILE C 1.0 -197.00 -47.40 PHI 104 104 A 69 ILE N A 69 ILE CA A 69 ILE C A 70 VAL N 1.0 58.70 218.70 PSI 105 105 A 69 ILE C A 70 VAL N A 70 VAL CA A 70 VAL C 1.0 -157.00 -68.60 PHI 106 106 A 70 VAL N A 70 VAL CA A 70 VAL C A 71 TRP N 1.0 76.60 191.40 PSI 107 107 A 70 VAL C A 71 TRP N A 71 TRP CA A 71 TRP C 1.0 -153.20 -52.80 PHI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 2 GLN N A 2 GLN H 1.0 . . . 2 2 A 3 ILE N A 3 ILE H 1.0 . . . 3 3 A 5 VAL N A 5 VAL H 1.0 . . . 4 4 A 6 LYS N A 6 LYS H 1.0 . . . 5 5 A 16 GLU N A 16 GLU H 1.0 . . . 6 6 A 17 VAL N A 17 VAL H 1.0 . . . 7 7 A 22 THR N A 22 THR H 1.0 . . . 8 8 A 23 ILE N A 23 ILE H 1.0 . . . 9 9 A 25 ASN N A 25 ASN H 1.0 . . . 10 10 A 26 VAL N A 26 VAL H 1.0 . . . 11 11 A 28 ALA N A 28 ALA H 1.0 . . . 12 12 A 29 LYS N A 29 LYS H 1.0 . . . 13 13 A 30 ILE N A 30 ILE H 1.0 . . . 14 14 A 31 GLN N A 31 GLN H 1.0 . . . 15 15 A 32 ASP N A 32 ASP H 1.0 . . . 16 16 A 33 LYS N A 33 LYS H 1.0 . . . 17 17 A 34 THR N A 34 THR H 1.0 . . . 18 18 A 35 GLY N A 35 GLY H 1.0 . . . 19 19 A 39 ASP N A 39 ASP H 1.0 . . . 20 20 A 40 GLN N A 40 GLN H 1.0 . . . 21 21 A 41 GLN N A 41 GLN H 1.0 . . . 22 22 A 42 ARG N A 42 ARG H 1.0 . . . 23 23 A 44 ILE N A 44 ILE H 1.0 . . . 24 24 A 48 LYS N A 48 LYS H 1.0 . . . 25 25 A 49 GLN N A 49 GLN H 1.0 . . . 26 26 A 50 LEU N A 50 LEU H 1.0 . . . 27 27 A 57 SER N A 57 SER H 1.0 . . . 28 28 A 58 ASP N A 58 ASP H 1.0 . . . 29 29 A 59 TYR N A 59 TYR H 1.0 . . . 30 30 A 60 ASN N A 60 ASN H 1.0 . . . 31 31 A 61 ILE N A 61 ILE H 1.0 . . . 32 32 A 66 THR N A 66 THR H 1.0 . . . 33 33 A 69 ILE N A 69 ILE H 1.0 . . . 34 34 A 70 VAL N A 70 VAL H 1.0 . . . stop_ save_