data_nef_c27349_6c00 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . 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 -2 MET start . . 2 A -1 ALA middle . . 3 A 0 SER middle . . 4 A 1 MET middle . . 5 A 2 ALA middle . . 6 A 3 LYS middle . . 7 A 4 LYS middle . . 8 A 5 ASP middle . . 9 A 6 VAL middle . . 10 A 7 ILE middle . . 11 A 8 GLU middle . . 12 A 9 LEU middle . . 13 A 10 GLU middle . . 14 A 11 GLY middle . false 15 A 12 THR middle . . 16 A 13 VAL middle . . 17 A 14 SER middle . . 18 A 15 GLU middle . . 19 A 16 ALA middle . . 20 A 17 LEU middle . . 21 A 18 PRO middle . false 22 A 19 ASN middle . . 23 A 20 ALA middle . . 24 A 21 MET middle . . 25 A 22 PHE middle . . 26 A 23 LYS middle . . 27 A 24 VAL middle . . 28 A 25 LYS middle . . 29 A 26 LEU middle . . 30 A 27 GLU middle . . 31 A 28 ASN middle . . 32 A 29 GLY middle . false 33 A 30 HIS middle . . 34 A 31 GLU middle . . 35 A 32 ILE middle . . 36 A 33 LEU middle . . 37 A 34 CYS middle . . 38 A 35 HIS middle . . 39 A 36 ILE middle . . 40 A 37 SER middle . . 41 A 38 GLY middle . false 42 A 39 LYS middle . . 43 A 40 LEU middle . . 44 A 41 ARG middle . . 45 A 42 MET middle . . 46 A 43 ASN middle . . 47 A 44 PHE middle . . 48 A 45 ILE middle . . 49 A 46 ARG middle . . 50 A 47 ILE middle . . 51 A 48 LEU middle . . 52 A 49 GLU middle . . 53 A 50 GLY middle . false 54 A 51 ASP middle . . 55 A 52 LYS middle . . 56 A 53 VAL middle . . 57 A 54 ASN middle . . 58 A 55 VAL middle . . 59 A 56 GLU middle . . 60 A 57 LEU middle . . 61 A 58 SER middle . . 62 A 59 PRO middle . false 63 A 60 TYR middle . . 64 A 61 ASP middle . . 65 A 62 LEU middle . . 66 A 63 THR middle . . 67 A 64 ARG middle . . 68 A 65 GLY middle . false 69 A 66 ARG middle . . 70 A 67 ILE middle . . 71 A 68 THR middle . . 72 A 69 TRP middle . . 73 A 70 ARG middle . . 74 A 71 LYS middle . . 75 A 72 LYS middle . . 76 A 73 LEU middle . . 77 A 74 GLU middle . . 78 A 75 HIS middle . . 79 A 76 HIS middle . . 80 A 77 HIS middle . . 81 A 78 HIS middle . . 82 A 79 HIS middle . . 83 A 80 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H H 1 8.595 0.00 A 1 MET HA H 1 4.563 0.00 A 1 MET HBx H 1 2.095 0.00 A 1 MET HE% H 1 2.087 0.00 A 1 MET HGx H 1 2.622 0.00 A 1 MET C C 13 175.637 0.00 A 1 MET CA C 13 55.920 0.00 A 1 MET CB C 13 33.120 0.00 A 1 MET CE C 13 16.886 0.00 A 1 MET CG C 13 31.802 0.00 A 1 MET N N 15 123.108 0.00 A 2 ALA H H 1 8.476 0.00 A 2 ALA HA H 1 4.335 0.00 A 2 ALA HB% H 1 1.379 0.02 A 2 ALA C C 13 177.594 0.00 A 2 ALA CA C 13 52.631 0.01 A 2 ALA CB C 13 19.197 0.06 A 2 ALA N N 15 126.309 0.07 A 3 LYS H H 1 8.355 0.00 A 3 LYS HA H 1 4.293 0.02 A 3 LYS HBx H 1 1.818 0.00 A 3 LYS HEx H 1 2.985 0.00 A 3 LYS C C 13 176.551 0.00 A 3 LYS CA C 13 56.326 0.16 A 3 LYS CB C 13 33.034 0.07 A 3 LYS N N 15 121.358 0.03 A 4 LYS H H 1 8.381 0.00 A 4 LYS HA H 1 4.370 0.02 A 4 LYS HBy H 1 1.831 0.02 A 4 LYS HBx H 1 1.811 0.00 A 4 LYS HEx H 1 2.981 0.00 A 4 LYS C C 13 176.096 0.00 A 4 LYS CA C 13 56.248 0.11 A 4 LYS CB C 13 33.186 0.08 A 4 LYS N N 15 122.408 0.03 A 5 ASP H H 1 8.436 0.00 A 5 ASP HA H 1 4.638 0.02 A 5 ASP HBx H 1 2.717 0.01 A 5 ASP HBy H 1 2.739 0.00 A 5 ASP C C 13 175.262 0.00 A 5 ASP CA C 13 54.524 0.10 A 5 ASP CB C 13 41.045 0.04 A 5 ASP N N 15 121.296 0.04 A 6 VAL H H 1 7.753 0.00 A 6 VAL HA H 1 4.553 0.01 A 6 VAL HB H 1 2.021 0.02 A 6 VAL HGx% H 1 0.855 0.02 A 6 VAL HGy% H 1 0.847 0.00 A 6 VAL C C 13 175.028 0.00 A 6 VAL CA C 13 61.038 0.21 A 6 VAL CB C 13 34.763 0.15 A 6 VAL CGx C 13 19.736 0.06 A 6 VAL CGy C 13 21.574 0.08 A 6 VAL N N 15 115.777 0.02 A 7 ILE H H 1 8.788 0.01 A 7 ILE HA H 1 4.368 0.02 A 7 ILE HB H 1 1.740 0.01 A 7 ILE HD11 H 1 0.770 0.00 A 7 ILE HD12 H 1 0.760 0.00 A 7 ILE HD13 H 1 0.767 0.00 A 7 ILE HG1y H 1 1.392 0.01 A 7 ILE HG1x H 1 0.967 0.00 A 7 ILE HG21 H 1 0.843 0.00 A 7 ILE HG22 H 1 0.849 0.00 A 7 ILE HG23 H 1 0.840 0.00 A 7 ILE C C 13 174.343 0.00 A 7 ILE CA C 13 60.333 0.20 A 7 ILE CB C 13 40.417 0.03 A 7 ILE CD1 C 13 13.386 0.01 A 7 ILE CG1 C 13 27.173 0.07 A 7 ILE CG2 C 13 17.579 0.05 A 7 ILE N N 15 123.314 0.02 A 8 GLU H H 1 8.266 0.01 A 8 GLU HA H 1 5.396 0.02 A 8 GLU HBx H 1 1.890 0.00 A 8 GLU HBy H 1 2.147 0.00 A 8 GLU HGx H 1 2.250 0.01 A 8 GLU HGy H 1 2.324 0.00 A 8 GLU C C 13 175.745 0.00 A 8 GLU CA C 13 54.214 0.14 A 8 GLU CB C 13 30.504 0.04 A 8 GLU CG C 13 34.590 0.00 A 8 GLU N N 15 123.459 0.06 A 9 LEU H H 1 9.059 0.00 A 9 LEU HA H 1 4.751 0.01 A 9 LEU HBx H 1 1.439 0.01 A 9 LEU HBy H 1 1.652 0.01 A 9 LEU HDx% H 1 0.841 0.00 A 9 LEU HDy% H 1 0.944 0.01 A 9 LEU HG H 1 1.475 0.01 A 9 LEU C C 13 174.823 0.00 A 9 LEU CA C 13 53.448 0.13 A 9 LEU CB C 13 47.028 0.02 A 9 LEU CDy C 13 26.744 0.00 A 9 LEU CDx C 13 23.643 0.00 A 9 LEU CG C 13 27.238 0.00 A 9 LEU N N 15 125.039 0.04 A 10 GLU H H 1 8.555 0.00 A 10 GLU HA H 1 5.135 0.01 A 10 GLU HBx H 1 2.004 0.01 A 10 GLU HBy H 1 2.042 0.00 A 10 GLU HGx H 1 2.279 0.00 A 10 GLU HGy H 1 2.296 0.00 A 10 GLU C C 13 176.039 0.00 A 10 GLU CA C 13 55.096 0.14 A 10 GLU CB C 13 31.752 0.01 A 10 GLU CG C 13 36.750 0.00 A 10 GLU N N 15 120.061 0.03 A 11 GLY H H 1 8.694 0.01 A 11 GLY HAx H 1 3.410 0.02 A 11 GLY HAy H 1 4.761 0.01 A 11 GLY C C 13 171.436 0.00 A 11 GLY CA C 13 45.337 0.05 A 11 GLY N N 15 107.806 0.02 A 12 THR H H 1 8.419 0.00 A 12 THR HA H 1 5.197 0.01 A 12 THR HB H 1 3.822 0.02 A 12 THR HG21 H 1 1.073 0.01 A 12 THR HG22 H 1 1.095 0.00 A 12 THR HG23 H 1 1.101 0.00 A 12 THR C C 13 174.604 0.00 A 12 THR CA C 13 60.711 0.07 A 12 THR CB C 13 71.177 0.12 A 12 THR CG2 C 13 20.791 0.00 A 12 THR N N 15 115.436 0.05 A 13 VAL H H 1 9.210 0.00 A 13 VAL HA H 1 3.953 0.01 A 13 VAL HB H 1 2.318 0.01 A 13 VAL HG11 H 1 0.737 0.01 A 13 VAL HG12 H 1 0.716 0.00 A 13 VAL HG13 H 1 0.721 0.00 A 13 VAL HG21 H 1 0.925 0.02 A 13 VAL HG22 H 1 0.902 0.01 A 13 VAL HG23 H 1 0.909 0.00 A 13 VAL C C 13 175.767 0.00 A 13 VAL CA C 13 64.566 0.10 A 13 VAL CB C 13 31.385 0.04 A 13 VAL CGy C 13 22.424 0.02 A 13 VAL CGx C 13 22.294 0.01 A 13 VAL N N 15 127.058 0.03 A 14 SER H H 1 9.593 0.01 A 14 SER HA H 1 4.665 0.01 A 14 SER HBx H 1 3.727 0.03 A 14 SER HBy H 1 3.853 0.02 A 14 SER C C 13 174.969 0.00 A 14 SER CA C 13 58.818 0.17 A 14 SER CB C 13 64.373 0.17 A 14 SER N N 15 128.199 0.06 A 15 GLU H H 1 7.646 0.00 A 15 GLU HA H 1 4.617 0.02 A 15 GLU HBx H 1 1.867 0.01 A 15 GLU HBy H 1 1.962 0.00 A 15 GLU HGx H 1 2.200 0.02 A 15 GLU HGy H 1 2.368 0.00 A 15 GLU C C 13 173.943 0.00 A 15 GLU CA C 13 56.441 0.12 A 15 GLU CB C 13 34.050 0.03 A 15 GLU CG C 13 35.283 0.00 A 15 GLU N N 15 119.443 0.03 A 16 ALA H H 1 9.461 0.00 A 16 ALA HA H 1 4.544 0.01 A 16 ALA HB% H 1 1.432 0.01 A 16 ALA C C 13 175.694 0.00 A 16 ALA CA C 13 51.803 0.17 A 16 ALA CB C 13 19.289 0.04 A 16 ALA N N 15 130.664 0.03 A 17 LEU H H 1 7.985 0.00 A 17 LEU HA H 1 4.672 0.01 A 17 LEU HBx H 1 1.234 0.00 A 17 LEU HBy H 1 1.479 0.00 A 17 LEU HDx% H 1 0.697 0.00 A 17 LEU HDy% H 1 0.792 0.01 A 17 LEU HG H 1 1.324 0.02 A 17 LEU CA C 13 53.071 0.08 A 17 LEU CB C 13 42.081 0.04 A 17 LEU CDy C 13 26.039 0.06 A 17 LEU CDx C 13 23.095 0.02 A 17 LEU CG C 13 27.695 0.00 A 17 LEU N N 15 125.434 0.06 A 18 PRO HA H 1 4.361 0.01 A 18 PRO HBx H 1 1.688 0.01 A 18 PRO HBy H 1 2.194 0.19 A 18 PRO HDx H 1 3.460 0.00 A 18 PRO HDy H 1 3.749 0.01 A 18 PRO HGx H 1 1.973 0.02 A 18 PRO C C 13 176.082 0.00 A 18 PRO CA C 13 63.109 0.07 A 18 PRO CB C 13 32.145 0.00 A 18 PRO CG C 13 27.861 0.07 A 19 ASN H H 1 8.766 0.01 A 19 ASN HA H 1 4.264 0.02 A 19 ASN HBx H 1 2.798 0.00 A 19 ASN HBy H 1 2.875 0.01 A 19 ASN C C 13 174.249 0.00 A 19 ASN CA C 13 54.087 0.14 A 19 ASN CB C 13 36.827 0.06 A 19 ASN N N 15 115.353 0.03 A 20 ALA H H 1 8.471 0.00 A 20 ALA HA H 1 3.856 0.01 A 20 ALA HB% H 1 1.468 0.02 A 20 ALA C C 13 175.041 0.00 A 20 ALA CA C 13 52.876 0.16 A 20 ALA CB C 13 16.471 0.02 A 20 ALA N N 15 116.105 0.04 A 21 MET H H 1 6.290 0.00 A 21 MET HA H 1 5.262 0.01 A 21 MET HBx H 1 1.745 0.01 A 21 MET HBy H 1 1.775 0.00 A 21 MET HE1 H 1 1.887 0.00 A 21 MET HE2 H 1 1.882 0.00 A 21 MET HE3 H 1 1.886 0.00 A 21 MET HGx H 1 2.252 0.02 A 21 MET HGy H 1 2.529 0.01 A 21 MET C C 13 175.439 0.00 A 21 MET CA C 13 52.776 0.10 A 21 MET CB C 13 34.400 0.04 A 21 MET CE C 13 16.262 0.03 A 21 MET CG C 13 31.908 0.00 A 21 MET N N 15 113.795 0.03 A 22 PHE H H 1 8.830 0.01 A 22 PHE HA H 1 5.143 0.01 A 22 PHE HBx H 1 2.301 0.01 A 22 PHE HBy H 1 2.888 0.01 A 22 PHE HDx H 1 6.877 0.00 A 22 PHE HDy H 1 6.916 0.02 A 22 PHE HEx H 1 7.092 0.00 A 22 PHE HEy H 1 7.092 0.00 A 22 PHE C C 13 175.334 0.00 A 22 PHE CA C 13 56.882 0.13 A 22 PHE CB C 13 43.765 0.05 A 22 PHE N N 15 116.263 0.02 A 23 LYS H H 1 9.223 0.00 A 23 LYS HA H 1 5.136 0.03 A 23 LYS HBx H 1 1.719 0.01 A 23 LYS HBy H 1 1.744 0.00 A 23 LYS HGy H 1 1.369 0.01 A 23 LYS HGx H 1 1.336 0.02 A 23 LYS C C 13 176.001 0.00 A 23 LYS CA C 13 55.940 0.15 A 23 LYS CB C 13 33.939 0.03 A 23 LYS CD C 13 29.079 0.00 A 23 LYS CG C 13 25.678 0.00 A 23 LYS N N 15 123.621 0.04 A 24 VAL H H 1 9.104 0.00 A 24 VAL HA H 1 4.540 0.01 A 24 VAL HB H 1 1.777 0.01 A 24 VAL HGx% H 1 0.510 0.02 A 24 VAL HGy% H 1 0.770 0.01 A 24 VAL C C 13 173.587 0.00 A 24 VAL CA C 13 60.777 0.08 A 24 VAL CB C 13 35.445 0.09 A 24 VAL CGx C 13 21.131 0.00 A 24 VAL CGy C 13 23.270 0.15 A 24 VAL N N 15 125.614 0.03 A 25 LYS H H 1 9.093 0.01 A 25 LYS HA H 1 4.694 0.01 A 25 LYS HBx H 1 1.661 0.01 A 25 LYS HBy H 1 1.886 0.02 A 25 LYS HGx H 1 1.296 0.00 A 25 LYS HGy H 1 1.443 0.00 A 25 LYS C C 13 176.721 0.00 A 25 LYS CA C 13 55.091 0.11 A 25 LYS CB C 13 33.241 0.03 A 25 LYS N N 15 127.887 0.02 A 26 LEU H H 1 8.998 0.00 A 26 LEU HA H 1 4.731 0.01 A 26 LEU HBx H 1 1.603 0.02 A 26 LEU HBy H 1 2.306 0.01 A 26 LEU HDx% H 1 0.880 0.01 A 26 LEU HDy% H 1 0.634 0.02 A 26 LEU HG H 1 1.716 0.00 A 26 LEU C C 13 179.196 0.00 A 26 LEU CA C 13 54.429 0.20 A 26 LEU CB C 13 42.867 0.02 A 26 LEU CDy C 13 25.809 0.11 A 26 LEU CDx C 13 22.145 0.07 A 26 LEU N N 15 127.927 0.02 A 27 GLU H H 1 8.959 0.00 A 27 GLU HA H 1 4.135 0.01 A 27 GLU HBy H 1 2.167 0.01 A 27 GLU HBx H 1 2.141 0.02 A 27 GLU C C 13 176.511 0.00 A 27 GLU CA C 13 58.698 0.11 A 27 GLU CB C 13 29.059 0.05 A 27 GLU CG C 13 36.316 0.00 A 27 GLU N N 15 120.753 0.05 A 28 ASN H H 1 7.379 0.00 A 28 ASN HA H 1 4.618 0.02 A 28 ASN HBx H 1 2.782 0.00 A 28 ASN HBy H 1 3.259 0.01 A 28 ASN C C 13 176.369 0.00 A 28 ASN CA C 13 52.541 0.11 A 28 ASN CB C 13 37.381 0.01 A 28 ASN N N 15 114.139 0.05 A 29 GLY H H 1 8.159 0.00 A 29 GLY HAx H 1 3.580 0.02 A 29 GLY HAy H 1 4.321 0.02 A 29 GLY C C 13 174.523 0.00 A 29 GLY CA C 13 45.156 0.10 A 29 GLY N N 15 107.374 0.02 A 30 HIS H H 1 8.050 0.02 A 30 HIS HA H 1 4.677 0.01 A 30 HIS HBy H 1 3.211 0.02 A 30 HIS HBx H 1 3.135 0.00 A 30 HIS HD2 H 1 8.123 0.00 A 30 HIS HE1 H 1 6.992 0.01 A 30 HIS C C 13 173.379 0.00 A 30 HIS CA C 13 55.252 0.11 A 30 HIS CB C 13 29.109 0.03 A 30 HIS N N 15 118.960 0.03 A 31 GLU H H 1 8.732 0.00 A 31 GLU HA H 1 5.379 0.01 A 31 GLU HBx H 1 1.908 0.01 A 31 GLU HBy H 1 1.937 0.00 A 31 GLU HGy H 1 2.156 0.01 A 31 GLU HGx H 1 1.954 0.00 A 31 GLU C C 13 175.815 0.00 A 31 GLU CA C 13 54.956 0.11 A 31 GLU CB C 13 32.024 0.02 A 31 GLU CG C 13 37.244 0.18 A 31 GLU N N 15 123.087 0.05 A 32 ILE H H 1 9.078 0.00 A 32 ILE HA H 1 4.671 0.01 A 32 ILE HB H 1 1.573 0.01 A 32 ILE HD11 H 1 0.584 0.00 A 32 ILE HD12 H 1 0.584 0.00 A 32 ILE HD13 H 1 0.567 0.01 A 32 ILE HG1y H 1 1.222 0.03 A 32 ILE HG1x H 1 1.016 0.02 A 32 ILE HG21 H 1 0.743 0.00 A 32 ILE HG22 H 1 0.750 0.00 A 32 ILE HG23 H 1 0.772 0.02 A 32 ILE C C 13 174.234 0.00 A 32 ILE CA C 13 59.202 0.16 A 32 ILE CB C 13 42.170 0.00 A 32 ILE CD1 C 13 14.939 0.08 A 32 ILE CG1 C 13 26.362 0.07 A 32 ILE CG2 C 13 18.076 0.00 A 32 ILE N N 15 120.817 0.03 A 33 LEU H H 1 8.101 0.00 A 33 LEU HA H 1 5.033 0.01 A 33 LEU HBx H 1 1.683 0.02 A 33 LEU HBy H 1 1.721 0.01 A 33 LEU HDx% H 1 0.863 0.00 A 33 LEU HDy% H 1 0.851 0.00 A 33 LEU HG H 1 1.554 0.00 A 33 LEU C C 13 177.641 0.00 A 33 LEU CA C 13 54.516 0.14 A 33 LEU CB C 13 43.407 0.05 A 33 LEU CDx C 13 24.285 0.07 A 33 LEU CDy C 13 24.527 0.00 A 33 LEU CG C 13 27.411 0.01 A 33 LEU N N 15 125.608 0.04 A 34 CYS H H 1 9.658 0.01 A 34 CYS HA H 1 5.712 0.02 A 34 CYS HBx H 1 2.758 0.01 A 34 CYS HBy H 1 2.788 0.01 A 34 CYS C C 13 174.226 0.00 A 34 CYS CA C 13 57.562 0.17 A 34 CYS CB C 13 32.827 0.02 A 34 CYS N N 15 120.987 0.02 A 35 HIS H H 1 7.719 0.00 A 35 HIS HA H 1 5.498 0.02 A 35 HIS HBx H 1 3.439 0.02 A 35 HIS HBy H 1 3.475 0.00 A 35 HIS HD2 H 1 7.356 0.00 A 35 HIS C C 13 174.755 0.00 A 35 HIS CA C 13 54.283 0.09 A 35 HIS CB C 13 32.143 0.04 A 35 HIS N N 15 117.218 0.07 A 36 ILE H H 1 9.471 0.00 A 36 ILE HA H 1 4.538 0.02 A 36 ILE HB H 1 1.973 0.02 A 36 ILE HD11 H 1 0.857 0.00 A 36 ILE HD12 H 1 0.861 0.00 A 36 ILE HD13 H 1 0.861 0.00 A 36 ILE HG1y H 1 1.683 0.01 A 36 ILE HG1x H 1 1.291 0.02 A 36 ILE HG21 H 1 1.042 0.00 A 36 ILE HG22 H 1 1.036 0.00 A 36 ILE HG23 H 1 1.065 0.02 A 36 ILE C C 13 175.758 0.00 A 36 ILE CA C 13 61.571 0.15 A 36 ILE CB C 13 39.721 0.06 A 36 ILE CD1 C 13 13.996 0.04 A 36 ILE CG1 C 13 27.289 0.04 A 36 ILE CG2 C 13 18.596 0.00 A 36 ILE N N 15 119.502 0.02 A 37 SER H H 1 8.377 0.00 A 37 SER HA H 1 4.518 0.02 A 37 SER HBx H 1 3.923 0.03 A 37 SER HBy H 1 4.192 0.01 A 37 SER C C 13 174.988 0.00 A 37 SER CA C 13 58.087 0.15 A 37 SER CB C 13 64.796 0.00 A 37 SER N N 15 119.849 0.03 A 38 GLY H H 1 9.063 0.00 A 38 GLY HAx H 1 3.902 0.03 A 38 GLY HAy H 1 4.046 0.02 A 38 GLY C C 13 175.780 0.00 A 38 GLY CA C 13 47.001 0.08 A 38 GLY N N 15 112.521 0.02 A 39 LYS H H 1 8.250 0.01 A 39 LYS HA H 1 4.132 0.02 A 39 LYS HBx H 1 1.882 0.00 A 39 LYS HBy H 1 1.903 0.00 A 39 LYS HGx H 1 1.493 0.00 A 39 LYS C C 13 178.230 0.00 A 39 LYS CA C 13 58.671 0.13 A 39 LYS CB C 13 32.406 0.03 A 39 LYS CD C 13 29.240 0.00 A 39 LYS CG C 13 25.292 0.00 A 39 LYS N N 15 120.652 0.04 A 40 LEU H H 1 7.572 0.00 A 40 LEU HA H 1 4.184 0.01 A 40 LEU HBx H 1 1.513 0.02 A 40 LEU HBy H 1 1.786 0.01 A 40 LEU HDx% H 1 0.763 0.00 A 40 LEU HDy% H 1 0.779 0.02 A 40 LEU HG H 1 1.616 0.02 A 40 LEU C C 13 178.383 0.00 A 40 LEU CA C 13 56.903 0.17 A 40 LEU CB C 13 41.593 0.07 A 40 LEU CDy C 13 25.288 0.04 A 40 LEU CDx C 13 23.953 0.03 A 40 LEU CG C 13 27.678 0.00 A 40 LEU N N 15 119.397 0.07 A 41 ARG H H 1 7.961 0.00 A 41 ARG HA H 1 4.109 0.02 A 41 ARG HBy H 1 1.917 0.00 A 41 ARG HBx H 1 1.907 0.01 A 41 ARG HDx H 1 3.281 0.00 A 41 ARG HGx H 1 1.685 0.00 A 41 ARG C C 13 178.727 0.00 A 41 ARG CA C 13 58.365 0.09 A 41 ARG CB C 13 30.106 0.01 A 41 ARG CD C 13 43.751 0.00 A 41 ARG CG C 13 27.489 0.00 A 41 ARG N N 15 119.609 0.02 A 42 MET H H 1 8.146 0.00 A 42 MET HA H 1 4.187 0.01 A 42 MET HBx H 1 2.133 0.06 A 42 MET HBy H 1 2.622 0.01 A 42 MET HE% H 1 2.050 0.01 A 42 MET C C 13 175.823 0.00 A 42 MET CA C 13 56.779 0.11 A 42 MET CB C 13 32.200 0.07 A 42 MET CE C 13 16.700 0.12 A 42 MET N N 15 118.083 0.02 A 43 ASN H H 1 7.602 0.00 A 43 ASN HA H 1 4.674 0.01 A 43 ASN HBx H 1 2.623 0.02 A 43 ASN HBy H 1 2.823 0.01 A 43 ASN C C 13 174.174 0.00 A 43 ASN CA C 13 53.170 0.10 A 43 ASN CB C 13 39.116 0.07 A 43 ASN N N 15 116.104 0.11 A 44 PHE H H 1 7.730 0.00 A 44 PHE HA H 1 4.341 0.02 A 44 PHE HBy H 1 3.185 0.01 A 44 PHE HBx H 1 3.164 0.02 A 44 PHE HDx H 1 7.184 0.00 A 44 PHE HDy H 1 7.187 0.00 A 44 PHE HEx H 1 7.295 0.03 A 44 PHE HEy H 1 7.326 0.00 A 44 PHE HZ H 1 7.321 0.00 A 44 PHE C C 13 175.123 0.00 A 44 PHE CA C 13 58.498 0.19 A 44 PHE CB C 13 37.230 0.05 A 44 PHE N N 15 116.765 0.05 A 45 ILE H H 1 7.578 0.00 A 45 ILE HA H 1 4.002 0.01 A 45 ILE HB H 1 1.724 0.01 A 45 ILE HD11 H 1 0.731 0.01 A 45 ILE HD12 H 1 0.757 0.01 A 45 ILE HD13 H 1 0.757 0.01 A 45 ILE HG1y H 1 1.374 0.01 A 45 ILE HG1x H 1 1.167 0.01 A 45 ILE HG21 H 1 0.705 0.00 A 45 ILE HG22 H 1 0.705 0.00 A 45 ILE HG23 H 1 0.707 0.00 A 45 ILE C C 13 174.958 0.00 A 45 ILE CA C 13 60.445 0.13 A 45 ILE CB C 13 37.882 0.04 A 45 ILE CD1 C 13 12.065 0.00 A 45 ILE CG1 C 13 27.488 0.02 A 45 ILE CG2 C 13 17.195 0.02 A 45 ILE N N 15 120.122 0.06 A 46 ARG H H 1 8.268 0.01 A 46 ARG HA H 1 4.438 0.01 A 46 ARG HBy H 1 1.748 0.00 A 46 ARG HBx H 1 1.732 0.01 A 46 ARG C C 13 174.895 0.00 A 46 ARG CA C 13 55.320 0.03 A 46 ARG CB C 13 30.762 0.01 A 46 ARG CD C 13 43.420 0.00 A 46 ARG CG C 13 26.864 0.00 A 46 ARG N N 15 126.638 0.03 A 47 ILE H H 1 8.231 0.01 A 47 ILE HA H 1 4.032 0.01 A 47 ILE HB H 1 1.425 0.01 A 47 ILE HD11 H 1 0.351 0.00 A 47 ILE HD12 H 1 0.344 0.00 A 47 ILE HD13 H 1 0.347 0.00 A 47 ILE HG1y H 1 1.045 0.00 A 47 ILE HG1x H 1 0.876 0.01 A 47 ILE HG21 H 1 0.200 0.00 A 47 ILE HG22 H 1 0.198 0.01 A 47 ILE HG23 H 1 0.229 0.03 A 47 ILE C C 13 173.687 0.00 A 47 ILE CA C 13 59.835 0.19 A 47 ILE CB C 13 37.181 0.02 A 47 ILE CD1 C 13 11.815 0.01 A 47 ILE CG1 C 13 27.482 0.00 A 47 ILE CG2 C 13 18.701 0.01 A 47 ILE N N 15 126.328 0.06 A 48 LEU H H 1 8.736 0.00 A 48 LEU HA H 1 4.644 0.01 A 48 LEU HBx H 1 1.507 0.01 A 48 LEU HBy H 1 1.593 0.01 A 48 LEU HDx% H 1 0.830 0.01 A 48 LEU HDy% H 1 0.853 0.02 A 48 LEU HG H 1 1.452 0.00 A 48 LEU C C 13 177.076 0.00 A 48 LEU CA C 13 52.523 0.13 A 48 LEU CB C 13 45.098 0.09 A 48 LEU CDx C 13 23.057 0.03 A 48 LEU CDy C 13 25.316 0.06 A 48 LEU CG C 13 25.022 0.09 A 48 LEU N N 15 127.701 0.06 A 49 GLU H H 1 8.722 0.01 A 49 GLU HA H 1 3.589 0.02 A 49 GLU HBx H 1 1.935 0.03 A 49 GLU HBy H 1 1.985 0.00 A 49 GLU C C 13 177.225 0.00 A 49 GLU CA C 13 58.809 0.09 A 49 GLU CB C 13 28.515 0.05 A 49 GLU CG C 13 36.427 0.00 A 49 GLU N N 15 119.154 0.05 A 50 GLY H H 1 9.210 0.00 A 50 GLY HAx H 1 3.476 0.01 A 50 GLY HAy H 1 4.433 0.03 A 50 GLY C C 13 174.371 0.00 A 50 GLY CA C 13 44.670 0.06 A 50 GLY N N 15 113.965 0.02 A 51 ASP H H 1 8.088 0.00 A 51 ASP HA H 1 4.542 0.02 A 51 ASP HBx H 1 2.319 0.01 A 51 ASP HBy H 1 2.793 0.01 A 51 ASP C C 13 175.743 0.00 A 51 ASP CA C 13 55.401 0.14 A 51 ASP CB C 13 41.069 0.06 A 51 ASP N N 15 121.375 0.02 A 52 LYS H H 1 8.616 0.00 A 52 LYS HA H 1 5.122 0.01 A 52 LYS HBx H 1 1.776 0.02 A 52 LYS HBy H 1 1.808 0.00 A 52 LYS HGx H 1 1.549 0.01 A 52 LYS C C 13 176.554 0.00 A 52 LYS CA C 13 54.787 0.20 A 52 LYS CB C 13 32.635 0.01 A 52 LYS CG C 13 24.461 0.00 A 52 LYS N N 15 121.499 0.05 A 53 VAL H H 1 8.860 0.00 A 53 VAL HA H 1 5.049 0.02 A 53 VAL HB H 1 2.176 0.02 A 53 VAL HG11 H 1 0.445 0.03 A 53 VAL HG12 H 1 0.399 0.01 A 53 VAL HG13 H 1 0.405 0.00 A 53 VAL HGy% H 1 0.626 0.02 A 53 VAL C C 13 174.066 0.00 A 53 VAL CA C 13 58.055 0.14 A 53 VAL CB C 13 35.904 0.04 A 53 VAL CGx C 13 18.095 0.05 A 53 VAL CGy C 13 22.501 0.04 A 53 VAL N N 15 114.740 0.04 A 54 ASN H H 1 8.174 0.01 A 54 ASN HA H 1 5.080 0.01 A 54 ASN HBx H 1 1.918 0.03 A 54 ASN HBy H 1 2.223 0.01 A 54 ASN HD2x H 1 6.827 0.00 A 54 ASN HD2y H 1 6.924 0.00 A 54 ASN C C 13 174.136 0.00 A 54 ASN CA C 13 52.785 0.12 A 54 ASN CB C 13 40.882 0.10 A 54 ASN N N 15 119.010 0.02 A 54 ASN ND2 N 15 111.125 0.00 A 55 VAL H H 1 9.169 0.00 A 55 VAL HA H 1 4.815 0.01 A 55 VAL HB H 1 1.759 0.01 A 55 VAL HGx% H 1 0.710 0.02 A 55 VAL HGy% H 1 0.643 0.02 A 55 VAL C C 13 173.698 0.00 A 55 VAL CA C 13 59.804 0.14 A 55 VAL CB C 13 34.758 0.10 A 55 VAL CGy C 13 23.069 0.05 A 55 VAL CGx C 13 22.066 0.12 A 55 VAL N N 15 123.178 0.04 A 56 GLU H H 1 9.031 0.00 A 56 GLU HA H 1 5.221 0.02 A 56 GLU HBx H 1 1.963 0.00 A 56 GLU HBy H 1 1.968 0.00 A 56 GLU HGx H 1 2.298 0.00 A 56 GLU C C 13 176.494 0.00 A 56 GLU CA C 13 54.333 0.14 A 56 GLU CB C 13 32.832 0.02 A 56 GLU CG C 13 37.042 0.00 A 56 GLU N N 15 124.201 0.02 A 57 LEU H H 1 9.146 0.00 A 57 LEU HA H 1 4.809 0.02 A 57 LEU HBx H 1 1.520 0.01 A 57 LEU HBy H 1 1.756 0.02 A 57 LEU HDx% H 1 0.784 0.01 A 57 LEU HDy% H 1 0.748 0.01 A 57 LEU HG H 1 1.558 0.01 A 57 LEU C C 13 175.945 0.00 A 57 LEU CA C 13 54.680 0.09 A 57 LEU CB C 13 44.090 0.06 A 57 LEU CDy C 13 26.212 0.15 A 57 LEU CG C 13 27.723 0.04 A 57 LEU N N 15 125.960 0.04 A 58 SER H H 1 9.050 0.00 A 58 SER HA H 1 4.500 0.00 A 58 SER HBx H 1 3.917 0.06 A 58 SER HBy H 1 4.163 0.02 A 58 SER CA C 13 55.229 0.06 A 58 SER CB C 13 64.476 0.06 A 58 SER N N 15 117.251 0.03 A 59 PRO HA H 1 4.115 0.01 A 59 PRO HBx H 1 1.518 0.02 A 59 PRO HBy H 1 2.111 0.02 A 59 PRO HDy H 1 3.746 0.00 A 59 PRO HGx H 1 1.837 0.00 A 59 PRO HGy H 1 1.842 0.00 A 59 PRO CA C 13 63.836 0.06 A 59 PRO CB C 13 31.716 0.00 A 59 PRO CG C 13 27.361 0.00 A 60 TYR H H 1 7.345 0.00 A 60 TYR HA H 1 4.502 0.02 A 60 TYR HBx H 1 2.766 0.01 A 60 TYR HBy H 1 3.281 0.02 A 60 TYR HDx H 1 7.092 0.00 A 60 TYR HDy H 1 7.095 0.00 A 60 TYR CA C 13 57.321 0.18 A 60 TYR CB C 13 38.237 0.03 A 60 TYR N N 15 114.186 0.05 A 61 ASP H H 1 7.517 0.01 A 61 ASP HA H 1 4.763 0.01 A 61 ASP HBx H 1 2.744 0.01 A 61 ASP HBy H 1 2.774 0.00 A 61 ASP C C 13 175.224 0.41 A 61 ASP CA C 13 54.007 0.22 A 61 ASP CB C 13 40.938 0.05 A 61 ASP N N 15 118.132 0.02 A 62 LEU H H 1 8.834 0.00 A 62 LEU HA H 1 4.437 0.01 A 62 LEU HBy H 1 1.676 0.00 A 62 LEU HBx H 1 1.662 0.00 A 62 LEU HDx% H 1 0.766 0.00 A 62 LEU HD21 H 1 0.817 0.03 A 62 LEU HD22 H 1 0.840 0.00 A 62 LEU HD23 H 1 0.840 0.00 A 62 LEU HG H 1 1.604 0.00 A 62 LEU C C 13 176.884 0.00 A 62 LEU CA C 13 55.451 0.18 A 62 LEU CB C 13 40.871 0.00 A 62 LEU CDx C 13 23.444 0.00 A 62 LEU CDy C 13 25.059 0.22 A 62 LEU N N 15 124.037 0.06 A 63 THR H H 1 8.376 0.00 A 63 THR HA H 1 4.525 0.01 A 63 THR HB H 1 4.494 0.02 A 63 THR HG21 H 1 1.278 0.00 A 63 THR HG22 H 1 1.252 0.01 A 63 THR HG23 H 1 1.272 0.00 A 63 THR C C 13 174.615 0.00 A 63 THR CA C 13 62.551 0.11 A 63 THR CB C 13 69.956 0.12 A 63 THR CG2 C 13 21.512 0.00 A 63 THR N N 15 107.276 0.03 A 64 ARG H H 1 7.398 0.00 A 64 ARG HA H 1 5.490 0.01 A 64 ARG HBx H 1 1.790 0.01 A 64 ARG HBy H 1 1.976 0.03 A 64 ARG HDx H 1 3.288 0.00 A 64 ARG HDy H 1 3.294 0.00 A 64 ARG HGy H 1 1.684 0.01 A 64 ARG HGx H 1 1.638 0.00 A 64 ARG C C 13 174.893 0.00 A 64 ARG CA C 13 54.139 0.16 A 64 ARG CB C 13 34.291 0.02 A 64 ARG CD C 13 43.722 0.00 A 64 ARG CG C 13 26.997 0.01 A 64 ARG N N 15 120.856 0.04 A 65 GLY H H 1 8.063 0.01 A 65 GLY HAx H 1 3.652 0.02 A 65 GLY HAy H 1 4.767 0.02 A 65 GLY C C 13 172.021 0.00 A 65 GLY CA C 13 45.302 0.08 A 65 GLY N N 15 105.826 0.06 A 66 ARG H H 1 8.653 0.01 A 66 ARG HA H 1 5.071 0.02 A 66 ARG HBy H 1 1.593 0.01 A 66 ARG HBx H 1 1.583 0.01 A 66 ARG HDx H 1 3.219 0.01 A 66 ARG HDy H 1 3.235 0.00 A 66 ARG HGy H 1 1.467 0.00 A 66 ARG HGx H 1 1.465 0.00 A 66 ARG C C 13 175.354 0.00 A 66 ARG CA C 13 53.484 0.13 A 66 ARG CB C 13 33.584 0.04 A 66 ARG CD C 13 43.696 0.00 A 66 ARG CG C 13 26.975 0.00 A 66 ARG N N 15 119.029 0.02 A 67 ILE H H 1 8.883 0.00 A 67 ILE HA H 1 4.543 0.02 A 67 ILE HB H 1 1.519 0.01 A 67 ILE HD11 H 1 0.388 0.01 A 67 ILE HD12 H 1 0.376 0.00 A 67 ILE HD13 H 1 0.373 0.00 A 67 ILE HG1y H 1 1.502 0.01 A 67 ILE HG1x H 1 0.684 0.01 A 67 ILE HG21 H 1 0.742 0.02 A 67 ILE HG22 H 1 0.689 0.01 A 67 ILE HG23 H 1 0.689 0.01 A 67 ILE C C 13 176.103 0.00 A 67 ILE CA C 13 61.715 0.14 A 67 ILE CB C 13 39.453 0.05 A 67 ILE CD1 C 13 14.000 0.13 A 67 ILE CG1 C 13 28.695 0.01 A 67 ILE CG2 C 13 16.746 0.00 A 67 ILE N N 15 124.764 0.04 A 68 THR H H 1 8.675 0.00 A 68 THR HA H 1 4.599 0.03 A 68 THR HB H 1 4.399 0.01 A 68 THR HG21 H 1 1.093 0.01 A 68 THR HG22 H 1 1.117 0.01 A 68 THR HG23 H 1 1.129 0.00 A 68 THR C C 13 175.078 0.00 A 68 THR CA C 13 61.441 0.16 A 68 THR CB C 13 69.533 0.15 A 68 THR CG2 C 13 22.497 0.07 A 68 THR N N 15 117.101 0.03 A 69 TRP H H 1 7.557 0.00 A 69 TRP HA H 1 4.624 0.01 A 69 TRP HBx H 1 3.363 0.05 A 69 TRP HBy H 1 3.417 0.02 A 69 TRP HD1 H 1 7.050 0.02 A 69 TRP HE1 H 1 10.207 0.01 A 69 TRP HE3 H 1 7.561 0.00 A 69 TRP HZ2 H 1 7.442 0.00 A 69 TRP C C 13 173.454 0.00 A 69 TRP CA C 13 57.678 0.18 A 69 TRP CB C 13 31.634 0.04 A 69 TRP N N 15 118.849 0.08 A 69 TRP NE1 N 15 130.663 0.03 A 70 ARG H H 1 7.890 0.01 A 70 ARG HA H 1 4.636 0.02 A 70 ARG HBx H 1 1.295 0.00 A 70 ARG HBy H 1 1.565 0.01 A 70 ARG HDx H 1 2.972 0.00 A 70 ARG HDy H 1 2.983 0.00 A 70 ARG C C 13 174.363 0.00 A 70 ARG CA C 13 55.050 0.15 A 70 ARG CB C 13 31.845 0.04 A 70 ARG CD C 13 43.385 0.00 A 70 ARG CG C 13 26.424 0.00 A 70 ARG N N 15 124.196 0.03 A 71 LYS H H 1 8.498 0.00 A 71 LYS HA H 1 4.142 0.01 A 71 LYS HBx H 1 1.562 0.00 A 71 LYS HBy H 1 1.755 0.01 A 71 LYS C C 13 175.747 0.00 A 71 LYS CA C 13 56.618 0.12 A 71 LYS CB C 13 33.256 0.02 A 71 LYS CD C 13 29.315 0.00 A 71 LYS CG C 13 25.243 0.00 A 71 LYS N N 15 126.162 0.03 A 72 LYS H H 1 8.405 0.00 A 72 LYS HA H 1 4.250 0.02 A 72 LYS HBx H 1 1.751 0.00 A 72 LYS HBy H 1 1.756 0.00 A 72 LYS C C 13 176.042 0.00 A 72 LYS CA C 13 56.516 0.21 A 72 LYS CB C 13 33.161 0.04 A 72 LYS CD C 13 29.107 0.00 A 72 LYS CG C 13 24.692 0.00 A 72 LYS N N 15 124.038 0.05 A 73 LEU H H 1 8.332 0.00 A 73 LEU HA H 1 4.410 0.02 A 73 LEU HBx H 1 1.522 0.00 A 73 LEU HBy H 1 1.532 0.00 A 73 LEU C C 13 176.760 0.00 A 73 LEU CA C 13 55.069 0.10 A 73 LEU CB C 13 42.535 0.07 A 73 LEU CDx C 13 23.430 0.00 A 73 LEU CDy C 13 24.061 0.00 A 73 LEU CG C 13 27.061 0.00 A 73 LEU N N 15 125.560 0.04 A 74 GLU H H 1 8.445 0.00 A 74 GLU CA C 13 55.871 0.00 A 74 GLU CB C 13 30.597 0.00 A 74 GLU N N 15 122.945 0.03 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 5 ASP H A 4 LYS HA 1.0 0.0 3.0 2 2 A 5 ASP H A 5 ASP HA 1.0 0.0 4.0 3 3 A 5 ASP H A 5 ASP HBx 1.0 1.0 5.0 4 3 A 5 ASP H A 5 ASP HBy 1.0 1.0 5.0 5 4 A 5 ASP H A 6 VAL H 1.0 0.0 4.5 6 5 A 5 ASP H A 4 LYS HBy 1.0 1.0 5.0 7 5 A 5 ASP H A 4 LYS HBx 1.0 1.0 5.0 8 6 A 5 ASP HA A 6 VAL H 1.0 0.0 3.0 9 7 A 6 VAL H A 5 ASP HBx 1.0 1.0 6.0 10 7 A 5 ASP HBy A 6 VAL H 1.0 1.0 6.0 11 8 A 6 VAL H A 6 VAL HB 1.0 0.0 4.0 12 9 A 6 VAL H A 6 VAL HGy% 1.0 3.0 7.0 13 9 A 6 VAL H A 6 VAL HGx% 1.0 3.0 7.0 14 10 A 6 VAL H A 7 ILE H 1.0 0.0 5.0 15 11 A 7 ILE H A 7 ILE HB 1.0 0.0 3.0 16 12 A 7 ILE H A 7 ILE HG1y 1.0 1.0 5.0 17 12 A 7 ILE H A 7 ILE HG1x 1.0 1.0 5.0 18 13 A 7 ILE H A 7 ILE HG21 1.0 1.5 6.5 19 14 A 7 ILE H A 8 GLU H 1.0 0.0 5.0 20 15 A 7 ILE H A 6 VAL HA 1.0 0.0 3.0 21 16 A 6 VAL HB A 7 ILE H 1.0 0.0 5.0 22 17 A 7 ILE H A 57 LEU H 1.0 0.0 4.0 23 18 A 7 ILE H A 57 LEU HBx 1.0 1.0 5.0 24 18 A 7 ILE H A 57 LEU HBy 1.0 1.0 5.0 25 19 A 8 GLU H A 7 ILE HA 1.0 0.0 3.0 26 20 A 7 ILE HB A 8 GLU H 1.0 0.0 5.0 27 21 A 8 GLU H A 8 GLU HBx 1.0 1.0 4.0 28 21 A 8 GLU H A 8 GLU HBy 1.0 1.0 4.0 29 22 A 8 GLU H A 8 GLU HGx 1.0 1.0 6.0 30 22 A 8 GLU H A 8 GLU HGy 1.0 1.0 6.0 31 23 A 8 GLU H A 8 GLU HA 1.0 0.0 4.0 32 24 A 9 LEU H A 54 ASN HA 1.0 0.0 5.0 33 25 A 9 LEU H A 55 VAL H 1.0 0.0 4.0 34 26 A 57 LEU H A 9 LEU H 1.0 0.0 4.0 35 27 A 9 LEU H A 56 GLU HA 1.0 0.0 4.0 36 28 A 9 LEU H A 55 VAL HB 1.0 0.0 5.0 37 29 A 9 LEU H A 9 LEU HA 1.0 0.0 3.0 38 30 A 9 LEU H A 9 LEU HBx 1.0 1.0 5.0 39 30 A 9 LEU H A 9 LEU HBy 1.0 1.0 5.0 40 31 A 8 GLU HA A 9 LEU H 1.0 0.0 4.0 41 32 A 9 LEU H A 8 GLU HBx 1.0 1.0 6.0 42 32 A 8 GLU HBy A 9 LEU H 1.0 1.0 6.0 43 33 A 10 GLU H A 10 GLU HBx 1.0 1.0 5.0 44 33 A 10 GLU H A 10 GLU HBy 1.0 1.0 5.0 45 34 A 10 GLU H A 10 GLU HA 1.0 0.0 3.0 46 35 A 9 LEU HA A 10 GLU H 1.0 0.0 3.0 47 36 A 10 GLU H A 9 LEU HDy% 1.0 1.5 5.5 48 37 A 10 GLU H A 9 LEU HBx 1.0 1.0 5.0 49 37 A 9 LEU HBy A 10 GLU H 1.0 1.0 5.0 50 38 A 10 GLU H A 10 GLU HGx 1.0 1.0 4.0 51 38 A 10 GLU H A 10 GLU HGy 1.0 1.0 4.0 52 39 A 11 GLY H A 11 GLY HAx 1.0 1.0 4.0 53 39 A 11 GLY H A 11 GLY HAy 1.0 1.0 4.0 54 40 A 10 GLU HA A 11 GLY H 1.0 0.0 2.5 55 41 A 11 GLY H A 53 VAL H 1.0 0.0 3.0 56 42 A 11 GLY H A 53 VAL HGy% 1.0 1.5 6.0 57 43 A 11 GLY H A 10 GLU HBx 1.0 1.0 4.0 58 43 A 10 GLU HBy A 11 GLY H 1.0 1.0 4.0 59 44 A 11 GLY H A 9 LEU HBx 1.0 1.0 6.0 60 44 A 9 LEU HBy A 11 GLY H 1.0 1.0 6.0 61 45 A 11 GLY H A 10 GLU HGx 1.0 1.0 5.0 62 45 A 10 GLU HGy A 11 GLY H 1.0 1.0 5.0 63 46 A 54 ASN HA A 11 GLY H 1.0 0.0 3.5 64 47 A 12 THR H A 11 GLY HAx 1.0 1.0 4.0 65 47 A 11 GLY HAy A 12 THR H 1.0 1.0 4.0 66 48 A 12 THR H A 25 LYS H 1.0 0.0 3.6 67 49 A 12 THR H A 25 LYS HBx 1.0 1.0 5.0 68 49 A 12 THR H A 25 LYS HBy 1.0 1.0 5.0 69 50 A 12 THR H A 24 VAL HGx% 1.0 1.5 5.0 70 51 A 11 GLY H A 12 THR H 1.0 0.0 5.0 71 52 A 12 THR H A 12 THR HA 1.0 0.0 3.0 72 53 A 12 THR H A 12 THR HB 1.0 0.0 4.0 73 54 A 12 THR H A 12 THR HG21 1.0 1.5 6.5 74 55 A 12 THR H A 13 VAL H 1.0 0.0 5.0 75 56 A 13 VAL H A 50 GLY H 1.0 0.0 4.0 76 57 A 13 VAL H A 51 ASP H 1.0 0.0 5.0 77 58 A 12 THR HG21 A 13 VAL H 1.0 1.5 4.5 78 59 A 12 THR HA A 13 VAL H 1.0 0.0 3.0 79 60 A 13 VAL H A 13 VAL HA 1.0 0.0 4.0 80 61 A 13 VAL H A 13 VAL HG21 1.0 1.5 4.5 81 62 A 13 VAL H A 13 VAL HB 1.0 0.0 3.0 82 63 A 13 VAL H A 51 ASP HBx 1.0 1.0 5.0 83 63 A 13 VAL H A 51 ASP HBy 1.0 1.0 5.0 84 64 A 13 VAL H A 24 VAL HA 1.0 0.0 4.5 85 65 A 13 VAL H A 52 LYS HA 1.0 0.0 3.0 86 66 A 13 VAL H A 24 VAL HGy% 1.0 1.5 6.0 87 67 A 13 VAL H A 53 VAL HGy% 1.0 3.0 8.0 88 68 A 14 SER H A 15 GLU H 1.0 0.0 3.0 89 69 A 25 LYS H A 14 SER H 1.0 0.0 4.0 90 70 A 13 VAL HA A 14 SER H 1.0 0.0 2.8 91 71 A 14 SER H A 14 SER HBx 1.0 1.0 4.0 92 71 A 14 SER H A 14 SER HBy 1.0 1.0 4.0 93 72 A 14 SER H A 13 VAL HG21 1.0 3.0 7.5 94 72 A 14 SER H A 13 VAL HG11 1.0 3.0 7.5 95 73 A 14 SER H A 14 SER HA 1.0 0.0 3.5 96 74 A 24 VAL HA A 14 SER H 1.0 0.0 3.0 97 75 A 14 SER H A 24 VAL HB 1.0 0.0 5.0 98 76 A 15 GLU H A 16 ALA H 1.0 0.0 5.0 99 77 A 14 SER H A 15 GLU H 1.0 0.0 3.0 100 78 A 15 GLU H A 23 LYS H 1.0 0.0 4.0 101 79 A 15 GLU H A 15 GLU HA 1.0 0.0 3.0 102 80 A 15 GLU H A 22 PHE HA 1.0 0.0 5.0 103 81 A 15 GLU H A 23 LYS HA 1.0 0.0 4.5 104 82 A 15 GLU H A 23 LYS HBx 1.0 1.0 5.0 105 82 A 15 GLU H A 23 LYS HBy 1.0 1.0 5.0 106 83 A 15 GLU H A 14 SER HBx 1.0 1.0 5.0 107 83 A 15 GLU H A 14 SER HBy 1.0 1.0 5.0 108 84 A 15 GLU H A 15 GLU HBx 1.0 1.0 4.0 109 84 A 15 GLU H A 15 GLU HBy 1.0 1.0 4.0 110 85 A 15 GLU H A 13 VAL HG11 1.0 1.5 6.0 111 86 A 16 ALA H A 15 GLU HA 1.0 0.0 2.8 112 87 A 16 ALA H A 16 ALA HB% 1.0 1.5 4.5 113 88 A 16 ALA H A 15 GLU HBx 1.0 1.0 5.0 114 88 A 16 ALA H A 15 GLU HBy 1.0 1.0 5.0 115 89 A 16 ALA H A 16 ALA HA 1.0 0.0 4.0 116 90 A 16 ALA H A 15 GLU HGx 1.0 1.0 6.0 117 90 A 16 ALA H A 15 GLU HGy 1.0 1.0 6.0 118 91 A 17 LEU H A 22 PHE HD% 1.0 2.0 6.5 119 92 A 16 ALA HA A 17 LEU H 1.0 0.0 2.8 120 93 A 16 ALA HB% A 17 LEU H 1.0 1.5 4.5 121 94 A 17 LEU H A 17 LEU HG 1.0 0.0 3.0 122 95 A 17 LEU H A 17 LEU HDy% 1.0 3.0 7.5 123 95 A 17 LEU H A 17 LEU HDx% 1.0 3.0 7.5 124 96 A 17 LEU H A 17 LEU HBx 1.0 1.0 5.0 125 96 A 17 LEU H A 17 LEU HBy 1.0 1.0 5.0 126 97 A 22 PHE HA A 17 LEU H 1.0 0.0 3.5 127 98 A 19 ASN H A 20 ALA H 1.0 0.0 3.0 128 99 A 19 ASN H A 18 PRO HA 1.0 0.0 2.8 129 100 A 19 ASN H A 19 ASN HA 1.0 0.0 2.8 130 101 A 19 ASN H A 19 ASN HBx 1.0 1.0 4.0 131 101 A 19 ASN H A 19 ASN HBy 1.0 1.0 4.0 132 102 A 19 ASN H A 18 PRO HBx 1.0 1.0 4.0 133 102 A 19 ASN H A 18 PRO HBy 1.0 1.0 4.0 134 103 A 19 ASN H A 20 ALA H 1.0 0.0 4.0 135 104 A 20 ALA H A 20 ALA HA 1.0 0.0 2.8 136 105 A 20 ALA H A 20 ALA HB% 1.0 1.5 5.5 137 106 A 20 ALA H A 21 MET H 1.0 0.0 3.0 138 107 A 21 MET H A 21 MET HBx 1.0 1.0 4.0 139 107 A 21 MET H A 21 MET HBy 1.0 1.0 4.0 140 108 A 21 MET H A 21 MET HGx 1.0 1.0 4.0 141 108 A 21 MET H A 21 MET HGy 1.0 1.0 4.0 142 109 A 20 ALA HA A 21 MET H 1.0 0.0 3.0 143 110 A 20 ALA H A 21 MET H 1.0 0.0 3.0 144 111 A 21 MET H A 21 MET HA 1.0 0.0 3.0 145 112 A 21 MET H A 22 PHE H 1.0 0.0 4.0 146 113 A 22 PHE H A 22 PHE HBx 1.0 1.0 4.0 147 113 A 22 PHE H A 22 PHE HBy 1.0 1.0 4.0 148 114 A 21 MET HA A 22 PHE H 1.0 0.0 2.8 149 115 A 22 PHE HD% A 22 PHE H 1.0 2.0 5.5 150 116 A 22 PHE HA A 22 PHE H 1.0 0.0 2.8 151 117 A 22 PHE H A 34 CYS H 1.0 0.0 3.0 152 118 A 22 PHE H A 34 CYS HBx 1.0 1.0 5.0 153 118 A 22 PHE H A 34 CYS HBy 1.0 1.0 5.0 154 119 A 22 PHE H A 21 MET HBx 1.0 1.0 4.5 155 119 A 21 MET HBy A 22 PHE H 1.0 1.0 4.5 156 120 A 22 PHE H A 21 MET HE1 1.0 1.5 6.5 157 121 A 22 PHE H A 36 ILE HD11 1.0 1.5 6.5 158 122 A 15 GLU H A 23 LYS H 1.0 0.0 3.6 159 123 A 23 LYS H A 24 VAL H 1.0 0.0 4.5 160 124 A 14 SER H A 23 LYS H 1.0 0.0 5.0 161 125 A 23 LYS H A 22 PHE HD% 1.0 2.0 6.0 162 126 A 23 LYS H A 22 PHE HA 1.0 0.0 2.8 163 127 A 23 LYS H A 16 ALA HA 1.0 0.0 4.0 164 128 A 23 LYS H A 15 GLU HBx 1.0 1.0 4.0 165 128 A 23 LYS H A 15 GLU HBy 1.0 1.0 4.0 166 129 A 23 LYS H A 22 PHE HBx 1.0 1.0 4.0 167 129 A 23 LYS H A 22 PHE HBy 1.0 1.0 4.0 168 130 A 23 LYS H A 23 LYS HGy 1.0 1.0 5.0 169 130 A 23 LYS H A 23 LYS HGx 1.0 1.0 5.0 170 131 A 23 LYS H A 23 LYS HBx 1.0 1.0 4.0 171 131 A 23 LYS H A 23 LYS HBy 1.0 1.0 4.0 172 132 A 23 LYS H A 17 LEU HDy% 1.0 3.0 7.5 173 132 A 23 LYS H A 17 LEU HDx% 1.0 3.0 7.5 174 133 A 23 LYS HA A 24 VAL H 1.0 0.0 2.8 175 134 A 24 VAL HA A 24 VAL H 1.0 0.0 3.0 176 135 A 24 VAL HB A 24 VAL H 1.0 0.0 2.8 177 136 A 24 VAL H A 32 ILE H 1.0 0.0 3.0 178 137 A 24 VAL H A 23 LYS HGy 1.0 1.0 5.5 179 137 A 24 VAL H A 23 LYS HGx 1.0 1.0 5.5 180 138 A 24 VAL HGy% A 24 VAL H 1.0 1.5 4.5 181 139 A 24 VAL HGx% A 24 VAL H 1.0 1.5 5.5 182 140 A 24 VAL H A 33 LEU HA 1.0 0.0 4.0 183 141 A 12 THR H A 25 LYS H 1.0 0.0 3.0 184 142 A 25 LYS H A 14 SER H 1.0 0.0 4.0 185 143 A 25 LYS H A 14 SER HBx 1.0 1.0 4.5 186 143 A 25 LYS H A 14 SER HBy 1.0 1.0 4.5 187 144 A 25 LYS H A 24 VAL HGy% 1.0 1.5 4.5 188 145 A 25 LYS H A 24 VAL HGx% 1.0 1.5 4.5 189 146 A 25 LYS H A 25 LYS HBx 1.0 1.0 4.0 190 146 A 25 LYS H A 25 LYS HBy 1.0 1.0 4.0 191 147 A 25 LYS H A 24 VAL HA 1.0 0.0 3.0 192 148 A 25 LYS H A 13 VAL HA 1.0 0.0 3.5 193 149 A 32 ILE H A 26 LEU H 1.0 0.0 4.5 194 150 A 26 LEU H A 31 GLU HA 1.0 0.0 4.0 195 151 A 26 LEU H A 26 LEU HA 1.0 0.0 2.8 196 152 A 26 LEU H A 25 LYS HA 1.0 0.0 3.5 197 153 A 26 LEU H A 25 LYS HGx 1.0 1.0 6.0 198 153 A 26 LEU H A 25 LYS HGy 1.0 1.0 6.0 199 154 A 26 LEU H A 26 LEU HBx 1.0 1.0 4.0 200 154 A 26 LEU H A 26 LEU HBy 1.0 1.0 4.0 201 155 A 26 LEU H A 26 LEU HDx% 1.0 1.5 5.5 202 156 A 26 LEU H A 26 LEU HDy% 1.0 1.5 5.5 203 157 A 26 LEU H A 26 LEU HG 1.0 0.0 2.8 204 158 A 27 GLU H A 28 ASN H 1.0 0.0 3.0 205 159 A 26 LEU H A 27 GLU H 1.0 0.0 4.5 206 160 A 27 GLU H A 27 GLU HBy 1.0 1.0 4.0 207 160 A 27 GLU H A 27 GLU HBx 1.0 1.0 4.0 208 161 A 26 LEU HA A 27 GLU H 1.0 0.0 3.0 209 162 A 27 GLU H A 27 GLU HGx 1.0 1.0 4.0 210 162 A 27 GLU H A 27 GLU HGy 1.0 1.0 4.0 211 163 A 27 GLU H A 27 GLU HA 1.0 0.0 3.0 212 164 A 26 LEU HDx% A 27 GLU H 1.0 1.5 6.0 213 165 A 26 LEU HDy% A 27 GLU H 1.0 1.5 6.0 214 166 A 27 GLU H A 28 ASN H 1.0 0.0 2.8 215 167 A 28 ASN H A 29 GLY H 1.0 0.0 2.8 216 168 A 28 ASN H A 26 LEU HBx 1.0 1.0 4.0 217 168 A 26 LEU HBy A 28 ASN H 1.0 1.0 4.0 218 169 A 28 ASN H A 27 GLU HBy 1.0 1.0 4.5 219 169 A 28 ASN H A 27 GLU HBx 1.0 1.0 4.5 220 170 A 28 ASN H A 28 ASN HBx 1.0 1.0 4.0 221 170 A 28 ASN H A 28 ASN HBy 1.0 1.0 4.0 222 171 A 28 ASN H A 27 GLU HA 1.0 0.0 4.0 223 172 A 28 ASN H A 28 ASN HA 1.0 0.0 3.0 224 173 A 26 LEU HDx% A 28 ASN H 1.0 1.5 6.0 225 174 A 28 ASN H A 29 GLY H 1.0 0.0 2.8 226 175 A 29 GLY H A 29 GLY HAx 1.0 1.0 4.0 227 175 A 29 GLY H A 29 GLY HAy 1.0 1.0 4.0 228 176 A 29 GLY H A 28 ASN HA 1.0 0.0 4.0 229 177 A 29 GLY H A 28 ASN HBx 1.0 1.0 5.5 230 177 A 29 GLY H A 28 ASN HBy 1.0 1.0 5.5 231 178 A 29 GLY H A 26 LEU HBx 1.0 1.0 5.0 232 178 A 26 LEU HBy A 29 GLY H 1.0 1.0 5.0 233 179 A 30 HIS H A 26 LEU HBx 1.0 1.0 4.0 234 179 A 26 LEU HBy A 30 HIS H 1.0 1.0 4.0 235 180 A 26 LEU H A 30 HIS H 1.0 0.0 4.0 236 181 A 29 GLY H A 30 HIS H 1.0 0.0 2.8 237 182 A 28 ASN H A 30 HIS H 1.0 0.0 4.0 238 183 A 30 HIS H A 30 HIS HBy 1.0 1.0 4.0 239 183 A 30 HIS H A 30 HIS HBx 1.0 1.0 4.0 240 184 A 30 HIS H A 30 HIS HA 1.0 0.0 3.0 241 185 A 30 HIS H A 30 HIS HE1 1.0 0.0 4.0 242 186 A 30 HIS H A 29 GLY HAx 1.0 1.0 5.0 243 186 A 29 GLY HAy A 30 HIS H 1.0 1.0 5.0 244 187 A 30 HIS H A 26 LEU HBx 1.0 1.0 4.0 245 187 A 26 LEU HBy A 30 HIS H 1.0 1.0 4.0 246 188 A 26 LEU HDx% A 30 HIS H 1.0 1.5 6.0 247 189 A 30 HIS HA A 31 GLU H 1.0 0.0 3.0 248 190 A 31 GLU HA A 31 GLU H 1.0 0.0 2.8 249 191 A 31 GLU H A 30 HIS HBy 1.0 1.0 4.5 250 191 A 30 HIS HBx A 31 GLU H 1.0 1.0 4.5 251 192 A 31 GLU H A 31 GLU HGy 1.0 1.0 4.5 252 192 A 31 GLU H A 31 GLU HGx 1.0 1.0 4.5 253 193 A 31 GLU H A 31 GLU HBx 1.0 1.0 4.0 254 193 A 31 GLU H A 31 GLU HBy 1.0 1.0 4.0 255 194 A 24 VAL H A 32 ILE H 1.0 0.0 3.0 256 195 A 32 ILE H A 25 LYS HA 1.0 0.0 3.5 257 196 A 32 ILE H A 31 GLU HA 1.0 0.0 2.8 258 197 A 32 ILE H A 32 ILE HB 1.0 0.0 4.0 259 198 A 32 ILE H A 31 GLU HBx 1.0 1.0 5.5 260 198 A 32 ILE H A 31 GLU HBy 1.0 1.0 5.5 261 199 A 32 ILE H A 31 GLU HGy 1.0 1.0 4.5 262 199 A 32 ILE H A 31 GLU HGx 1.0 1.0 4.5 263 200 A 32 ILE H A 32 ILE HG1y 1.0 1.0 4.5 264 200 A 32 ILE H A 32 ILE HG1x 1.0 1.0 4.5 265 201 A 32 ILE H A 32 ILE HG21 1.0 1.5 5.5 266 202 A 32 ILE H A 32 ILE HD11 1.0 1.5 5.5 267 203 A 33 LEU H A 65 GLY H 1.0 0.0 4.5 268 204 A 33 LEU H A 64 ARG HA 1.0 0.0 2.8 269 205 A 33 LEU HA A 33 LEU H 1.0 0.0 2.8 270 206 A 33 LEU H A 32 ILE HA 1.0 0.0 3.0 271 207 A 33 LEU H A 64 ARG HGy 1.0 1.0 4.5 272 207 A 33 LEU H A 64 ARG HGx 1.0 1.0 4.5 273 208 A 33 LEU H A 33 LEU HBx 1.0 1.0 4.0 274 208 A 33 LEU H A 33 LEU HBy 1.0 1.0 4.0 275 209 A 32 ILE HG21 A 33 LEU H 1.0 1.5 6.0 276 210 A 33 LEU H A 32 ILE HG1y 1.0 1.0 5.5 277 210 A 32 ILE HG1x A 33 LEU H 1.0 1.0 5.5 278 211 A 33 LEU H A 33 LEU HDx% 1.0 1.5 5.0 279 212 A 34 CYS H A 33 LEU HA 1.0 0.0 3.0 280 213 A 34 CYS H A 34 CYS HA 1.0 0.0 3.0 281 214 A 23 LYS HA A 34 CYS H 1.0 0.0 3.5 282 215 A 34 CYS H A 34 CYS HBx 1.0 1.5 4.5 283 215 A 34 CYS H A 34 CYS HBy 1.0 1.5 4.5 284 216 A 24 VAL HGy% A 34 CYS H 1.0 1.5 6.5 285 217 A 22 PHE H A 34 CYS H 1.0 0.0 3.5 286 218 A 34 CYS H A 33 LEU HDx% 1.0 1.5 6.5 287 219 A 34 CYS H A 33 LEU HDy% 1.0 1.5 6.0 288 220 A 35 HIS H A 67 ILE H 1.0 0.0 3.5 289 221 A 65 GLY H A 35 HIS H 1.0 0.0 5.0 290 222 A 35 HIS H A 35 HIS HA 1.0 0.0 3.0 291 223 A 34 CYS HA A 35 HIS H 1.0 0.0 2.8 292 224 A 35 HIS H A 34 CYS HBx 1.0 1.5 4.5 293 224 A 34 CYS HBy A 35 HIS H 1.0 1.5 4.5 294 225 A 35 HIS H A 35 HIS HBx 1.0 1.0 4.0 295 225 A 35 HIS H A 35 HIS HBy 1.0 1.0 4.0 296 226 A 35 HIS H A 66 ARG HA 1.0 0.0 2.5 297 227 A 35 HIS H A 66 ARG HBy 1.0 1.0 5.0 298 227 A 35 HIS H A 66 ARG HBx 1.0 1.0 5.0 299 228 A 35 HIS HA A 36 ILE H 1.0 0.0 2.8 300 229 A 36 ILE H A 36 ILE HA 1.0 0.0 2.8 301 230 A 36 ILE H A 36 ILE HB 1.0 0.0 2.8 302 231 A 36 ILE H A 35 HIS HBx 1.0 1.0 4.5 303 231 A 35 HIS HBy A 36 ILE H 1.0 1.0 4.5 304 232 A 36 ILE H A 36 ILE HG21 1.0 1.5 4.5 305 233 A 36 ILE HD11 A 36 ILE H 1.0 1.5 5.5 306 234 A 36 ILE H A 36 ILE HG1y 1.0 1.0 5.5 307 234 A 36 ILE H A 36 ILE HG1x 1.0 1.0 5.5 308 235 A 37 SER H A 37 SER HA 1.0 0.0 2.8 309 236 A 37 SER H A 37 SER HBx 1.0 1.0 3.8 310 236 A 37 SER H A 37 SER HBy 1.0 1.0 3.8 311 237 A 36 ILE HA A 37 SER H 1.0 0.0 2.8 312 238 A 36 ILE HB A 37 SER H 1.0 0.0 4.5 313 239 A 37 SER H A 36 ILE HG1y 1.0 1.0 4.0 314 239 A 36 ILE HG1x A 37 SER H 1.0 1.0 4.0 315 240 A 36 ILE HG21 A 37 SER H 1.0 1.5 6.0 316 241 A 37 SER H A 40 LEU HDy% 1.0 1.5 6.0 317 242 A 37 SER H A 40 LEU HDx% 1.0 1.5 6.5 318 243 A 37 SER H A 40 LEU HBx 1.0 1.0 5.0 319 243 A 37 SER H A 40 LEU HBy 1.0 1.0 5.0 320 244 A 38 GLY H A 39 LYS H 1.0 0.0 3.0 321 245 A 38 GLY H A 38 GLY HAx 1.0 1.0 3.8 322 245 A 38 GLY H A 38 GLY HAy 1.0 1.0 3.8 323 246 A 37 SER HA A 38 GLY H 1.0 0.0 2.8 324 247 A 38 GLY H A 37 SER HBx 1.0 1.0 3.8 325 247 A 37 SER HBy A 38 GLY H 1.0 1.0 3.8 326 248 A 38 GLY H A 39 LYS H 1.0 0.0 3.0 327 249 A 39 LYS H A 40 LEU H 1.0 0.0 3.0 328 250 A 39 LYS H A 38 GLY HAx 1.0 1.0 3.8 329 250 A 39 LYS H A 38 GLY HAy 1.0 1.0 3.8 330 251 A 39 LYS H A 39 LYS HA 1.0 0.0 2.8 331 252 A 39 LYS H A 39 LYS HBx 1.0 1.0 3.8 332 252 A 39 LYS H A 39 LYS HBy 1.0 1.0 3.8 333 253 A 39 LYS H A 37 SER HBx 1.0 1.0 4.5 334 253 A 37 SER HBy A 39 LYS H 1.0 1.0 4.5 335 254 A 39 LYS H A 40 LEU HBx 1.0 1.0 5.5 336 254 A 40 LEU HBy A 39 LYS H 1.0 1.0 5.5 337 255 A 39 LYS H A 39 LYS HBx 1.0 1.0 4.5 338 255 A 39 LYS H A 39 LYS HBy 1.0 1.0 4.5 339 256 A 39 LYS H A 40 LEU H 1.0 0.0 3.0 340 257 A 40 LEU H A 40 LEU HA 1.0 0.0 3.0 341 258 A 40 LEU H A 39 LYS HA 1.0 0.0 4.0 342 259 A 40 LEU H A 39 LYS HBx 1.0 1.0 4.0 343 259 A 40 LEU H A 39 LYS HBy 1.0 1.0 4.0 344 260 A 40 LEU H A 40 LEU HG 1.0 0.0 3.0 345 261 A 40 LEU H A 41 ARG H 1.0 0.0 3.0 346 262 A 40 LEU H A 40 LEU HBx 1.0 1.0 4.0 347 262 A 40 LEU HBy A 40 LEU H 1.0 1.0 4.0 348 263 A 40 LEU H A 40 LEU HDy% 1.0 3.0 5.0 349 263 A 40 LEU H A 40 LEU HDx% 1.0 3.0 5.0 350 264 A 39 LYS H A 41 ARG H 1.0 0.0 4.0 351 265 A 40 LEU H A 41 ARG H 1.0 0.0 3.0 352 266 A 41 ARG H A 41 ARG HA 1.0 0.0 2.8 353 267 A 39 LYS HA A 41 ARG H 1.0 0.0 3.5 354 268 A 41 ARG H A 41 ARG HBy 1.0 1.0 3.5 355 268 A 41 ARG H A 41 ARG HBx 1.0 1.0 3.5 356 269 A 41 ARG H A 41 ARG HGx 1.0 1.0 4.0 357 269 A 41 ARG H A 41 ARG HGy 1.0 1.0 4.0 358 270 A 40 LEU HA A 41 ARG H 1.0 0.0 3.5 359 271 A 41 ARG H A 39 LYS HBx 1.0 1.0 6.0 360 271 A 39 LYS HBy A 41 ARG H 1.0 1.0 6.0 361 272 A 40 LEU HG A 41 ARG H 1.0 0.0 4.0 362 273 A 41 ARG H A 40 LEU HDy% 1.0 3.0 8.0 363 273 A 41 ARG H A 40 LEU HDx% 1.0 3.0 8.0 364 274 A 41 ARG H A 42 MET H 1.0 0.0 3.0 365 275 A 42 MET H A 42 MET HA 1.0 0.0 2.8 366 276 A 39 LYS HA A 42 MET H 1.0 0.0 3.6 367 277 A 42 MET H A 42 MET HBx 1.0 1.0 3.5 368 277 A 42 MET H A 42 MET HBy 1.0 1.0 3.5 369 278 A 42 MET H A 42 MET HE% 1.0 1.5 6.5 370 279 A 41 ARG HA A 42 MET H 1.0 0.0 4.5 371 280 A 42 MET H A 43 ASN H 1.0 0.0 3.0 372 281 A 42 MET H A 43 ASN H 1.0 0.0 3.0 373 282 A 42 MET HA A 43 ASN H 1.0 0.0 3.5 374 283 A 43 ASN H A 42 MET HBx 1.0 1.0 4.0 375 283 A 42 MET HBy A 43 ASN H 1.0 1.0 4.0 376 284 A 43 ASN H A 43 ASN HBx 1.0 1.0 4.0 377 284 A 43 ASN H A 43 ASN HBy 1.0 1.0 4.0 378 285 A 43 ASN H A 43 ASN HA 1.0 0.0 3.0 379 286 A 40 LEU HA A 43 ASN H 1.0 0.0 3.0 380 287 A 43 ASN H A 44 PHE H 1.0 0.0 3.0 381 288 A 43 ASN HA A 44 PHE H 1.0 0.0 3.5 382 289 A 42 MET HA A 44 PHE H 1.0 0.0 4.5 383 290 A 44 PHE H A 44 PHE HA 1.0 0.0 2.8 384 291 A 44 PHE H A 44 PHE HBy 1.0 1.0 4.0 385 291 A 44 PHE H A 44 PHE HBx 1.0 1.0 4.0 386 292 A 44 PHE H A 43 ASN HBx 1.0 1.0 4.5 387 292 A 43 ASN HBy A 44 PHE H 1.0 1.0 4.5 388 293 A 45 ILE H A 45 ILE HA 1.0 0.0 2.8 389 294 A 44 PHE HA A 45 ILE H 1.0 0.0 2.8 390 295 A 45 ILE H A 45 ILE HB 1.0 0.0 2.8 391 296 A 45 ILE H A 44 PHE HBy 1.0 1.0 5.0 392 296 A 44 PHE HBx A 45 ILE H 1.0 1.0 5.0 393 297 A 45 ILE H A 45 ILE HG1y 1.0 1.0 3.8 394 297 A 45 ILE H A 45 ILE HG1x 1.0 1.0 3.8 395 298 A 45 ILE H A 45 ILE HD11 1.0 1.5 6.5 396 299 A 45 ILE H A 45 ILE HG21 1.0 1.5 6.0 397 300 A 45 ILE HA A 46 ARG H 1.0 0.0 2.8 398 301 A 46 ARG H A 46 ARG HA 1.0 0.0 2.8 399 302 A 46 ARG H A 46 ARG HBy 1.0 1.0 3.5 400 302 A 46 ARG H A 46 ARG HBx 1.0 1.0 3.5 401 303 A 45 ILE HG21 A 46 ARG H 1.0 1.5 5.5 402 304 A 46 ARG HA A 47 ILE H 1.0 0.0 2.5 403 305 A 47 ILE H A 47 ILE HA 1.0 0.0 3.0 404 306 A 47 ILE H A 47 ILE HB 1.0 0.0 2.8 405 307 A 47 ILE H A 46 ARG HBy 1.0 1.0 6.0 406 307 A 46 ARG HBx A 47 ILE H 1.0 1.0 6.0 407 308 A 47 ILE H A 46 ARG HGx 1.0 1.0 5.0 408 308 A 47 ILE H A 46 ARG HGy 1.0 1.0 5.0 409 309 A 47 ILE H A 47 ILE HG1y 1.0 1.0 5.0 410 309 A 47 ILE H A 47 ILE HG1x 1.0 1.0 5.0 411 310 A 47 ILE H A 47 ILE HG21 1.0 1.5 6.5 412 311 A 47 ILE HA A 48 LEU H 1.0 0.0 2.5 413 312 A 48 LEU H A 48 LEU HBx 1.0 1.0 3.5 414 312 A 48 LEU H A 48 LEU HBy 1.0 1.0 3.5 415 313 A 47 ILE HG21 A 48 LEU H 1.0 1.5 5.0 416 314 A 48 LEU H A 47 ILE HG1y 1.0 1.0 6.0 417 314 A 47 ILE HG1x A 48 LEU H 1.0 1.0 6.0 418 315 A 48 LEU H A 48 LEU HDx% 1.0 1.5 5.0 419 316 A 48 LEU H A 51 ASP HBx 1.0 1.0 4.5 420 316 A 51 ASP HBy A 48 LEU H 1.0 1.0 4.5 421 317 A 49 GLU H A 48 LEU HA 1.0 0.0 3.0 422 318 A 49 GLU H A 49 GLU HA 1.0 0.0 2.5 423 319 A 49 GLU H A 49 GLU HBx 1.0 1.0 3.5 424 319 A 49 GLU H A 49 GLU HBy 1.0 1.0 3.5 425 320 A 49 GLU H A 48 LEU HBx 1.0 1.0 4.0 426 320 A 48 LEU HBy A 49 GLU H 1.0 1.0 4.0 427 321 A 49 GLU H A 49 GLU HGx 1.0 1.0 4.0 428 321 A 49 GLU H A 49 GLU HGy 1.0 1.0 4.0 429 322 A 49 GLU H A 48 LEU HDy% 1.0 3.0 7.5 430 322 A 49 GLU H A 48 LEU HDx% 1.0 3.0 7.5 431 323 A 50 GLY H A 50 GLY HAx 1.0 1.0 3.5 432 323 A 50 GLY H A 50 GLY HAy 1.0 1.0 3.5 433 324 A 50 GLY H A 51 ASP H 1.0 0.0 2.8 434 325 A 50 GLY H A 49 GLU HA 1.0 0.0 3.0 435 326 A 50 GLY H A 13 VAL HB 1.0 0.0 2.8 436 327 A 50 GLY H A 49 GLU HBx 1.0 1.0 4.5 437 327 A 50 GLY H A 49 GLU HBy 1.0 1.0 4.5 438 328 A 50 GLY H A 13 VAL HG21 1.0 3.0 7.5 439 328 A 50 GLY H A 13 VAL HG11 1.0 3.0 7.5 440 329 A 50 GLY H A 51 ASP H 1.0 0.0 2.8 441 330 A 51 ASP H A 51 ASP HA 1.0 0.0 2.8 442 331 A 51 ASP H A 49 GLU HA 1.0 0.0 3.0 443 332 A 51 ASP H A 51 ASP HBx 1.0 1.0 4.5 444 332 A 51 ASP H A 51 ASP HBy 1.0 1.0 4.5 445 333 A 51 ASP H A 13 VAL HB 1.0 0.0 3.0 446 334 A 51 ASP H A 13 VAL HG21 1.0 1.5 6.0 447 335 A 51 ASP H A 13 VAL HG11 1.0 1.5 6.5 448 336 A 51 ASP H A 47 ILE HG21 1.0 1.5 6.5 449 337 A 52 LYS HA A 52 LYS H 1.0 0.0 3.0 450 338 A 52 LYS H A 52 LYS HBx 1.0 1.0 3.5 451 338 A 52 LYS H A 52 LYS HBy 1.0 1.0 3.5 452 339 A 51 ASP HA A 52 LYS H 1.0 0.0 2.5 453 340 A 52 LYS H A 51 ASP HBx 1.0 1.0 4.0 454 340 A 51 ASP HBy A 52 LYS H 1.0 1.0 4.0 455 341 A 52 LYS H A 52 LYS HGx 1.0 1.0 4.0 456 341 A 52 LYS H A 52 LYS HGy 1.0 1.0 4.0 457 342 A 53 VAL H A 52 LYS HA 1.0 0.0 2.5 458 343 A 53 VAL H A 12 THR HA 1.0 0.0 2.8 459 344 A 53 VAL H A 53 VAL HG11 1.0 1.5 4.5 460 345 A 53 VAL H A 53 VAL HGy% 1.0 1.5 4.5 461 346 A 53 VAL H A 53 VAL HB 1.0 0.0 4.0 462 347 A 53 VAL H A 52 LYS HGx 1.0 1.0 4.5 463 347 A 53 VAL H A 52 LYS HGy 1.0 1.0 4.5 464 348 A 11 GLY H A 53 VAL H 1.0 0.0 3.0 465 349 A 53 VAL H A 53 VAL HA 1.0 0.0 3.0 466 350 A 53 VAL HB A 54 ASN H 1.0 0.0 2.8 467 351 A 54 ASN H A 54 ASN HBx 1.0 1.0 4.0 468 351 A 54 ASN H A 54 ASN HBy 1.0 1.0 4.0 469 352 A 53 VAL HA A 54 ASN H 1.0 0.0 2.8 470 353 A 54 ASN H A 53 VAL HG11 1.0 1.5 6.0 471 354 A 54 ASN H A 53 VAL HGy% 1.0 1.5 5.5 472 355 A 54 ASN H A 67 ILE HG21 1.0 1.5 5.5 473 356 A 54 ASN H A 69 TRP H 1.0 0.0 3.5 474 357 A 54 ASN H A 70 ARG HA 1.0 0.0 4.5 475 358 A 55 VAL H A 10 GLU HA 1.0 0.0 2.8 476 359 A 55 VAL H A 55 VAL HA 1.0 0.0 2.8 477 360 A 55 VAL H A 55 VAL HB 1.0 0.0 2.8 478 361 A 55 VAL H A 55 VAL HGx% 1.0 1.5 6.5 479 362 A 55 VAL H A 55 VAL HGy% 1.0 1.5 5.5 480 363 A 55 VAL H A 54 ASN HBx 1.0 1.0 5.8 481 363 A 55 VAL H A 54 ASN HBy 1.0 1.0 5.8 482 364 A 54 ASN HA A 55 VAL H 1.0 0.0 2.5 483 365 A 9 LEU H A 55 VAL H 1.0 0.0 3.5 484 366 A 56 GLU H A 66 ARG H 1.0 0.0 2.8 485 367 A 55 VAL HA A 56 GLU H 1.0 0.0 2.5 486 368 A 55 VAL H A 56 GLU H 1.0 0.0 5.0 487 369 A 56 GLU H A 56 GLU HBx 1.0 1.0 3.8 488 369 A 56 GLU H A 56 GLU HBy 1.0 1.0 3.8 489 370 A 56 GLU H A 56 GLU HGx 1.0 1.0 5.0 490 370 A 56 GLU H A 56 GLU HGy 1.0 1.0 5.0 491 371 A 56 GLU H A 55 VAL HGx% 1.0 1.5 5.0 492 372 A 56 GLU H A 55 VAL HGy% 1.0 1.5 5.5 493 373 A 56 GLU H A 67 ILE HA 1.0 0.0 4.5 494 374 A 56 GLU H A 68 THR HG21 1.0 1.5 6.5 495 375 A 56 GLU H A 57 LEU HG 1.0 0.0 5.0 496 376 A 7 ILE H A 57 LEU H 1.0 0.0 3.5 497 377 A 57 LEU H A 8 GLU HA 1.0 0.0 4.0 498 378 A 57 LEU H A 56 GLU HA 1.0 0.0 2.5 499 379 A 57 LEU H A 56 GLU HBx 1.0 1.0 5.0 500 379 A 57 LEU H A 56 GLU HBy 1.0 1.0 5.0 501 380 A 57 LEU H A 56 GLU HGx 1.0 1.0 5.0 502 380 A 57 LEU H A 56 GLU HGy 1.0 1.0 5.0 503 381 A 57 LEU H A 57 LEU HG 1.0 0.0 2.8 504 382 A 57 LEU H A 57 LEU HBx 1.0 1.0 5.0 505 382 A 57 LEU H A 57 LEU HBy 1.0 1.0 5.0 506 383 A 57 LEU H A 57 LEU HA 1.0 0.0 3.0 507 384 A 57 LEU H A 57 LEU HDy% 1.0 3.0 7.0 508 384 A 57 LEU H A 57 LEU HDx% 1.0 3.0 7.0 509 385 A 7 ILE HB A 57 LEU H 1.0 0.0 3.5 510 386 A 6 VAL HGx% A 57 LEU H 1.0 1.5 5.5 511 387 A 57 LEU HA A 58 SER H 1.0 0.0 2.5 512 388 A 58 SER H A 57 LEU HBx 1.0 1.0 4.5 513 388 A 57 LEU HBy A 58 SER H 1.0 1.0 4.5 514 389 A 58 SER H A 58 SER HBx 1.0 1.0 4.0 515 389 A 58 SER H A 58 SER HBy 1.0 1.0 4.0 516 390 A 58 SER H A 57 LEU HDy% 1.0 1.5 6.0 517 391 A 58 SER H A 65 GLY HAx 1.0 1.0 5.0 518 391 A 58 SER H A 65 GLY HAy 1.0 1.0 5.0 519 392 A 60 TYR H A 60 TYR HBx 1.0 1.0 4.5 520 392 A 60 TYR H A 60 TYR HBy 1.0 1.0 4.5 521 393 A 60 TYR H A 60 TYR HA 1.0 0.0 3.0 522 394 A 60 TYR H A 59 PRO HA 1.0 0.0 4.0 523 395 A 60 TYR H A 61 ASP H 1.0 0.0 2.5 524 396 A 60 TYR H A 61 ASP HA 1.0 0.0 4.5 525 397 A 60 TYR H A 59 PRO HDx 1.0 1.0 4.0 526 397 A 60 TYR H A 59 PRO HDy 1.0 1.0 4.0 527 398 A 60 TYR H A 59 PRO HBx 1.0 1.0 5.0 528 398 A 60 TYR H A 59 PRO HBy 1.0 1.0 5.0 529 399 A 61 ASP H A 62 LEU H 1.0 0.0 3.5 530 400 A 60 TYR HA A 61 ASP H 1.0 0.0 3.5 531 401 A 61 ASP H A 61 ASP HA 1.0 0.0 2.9 532 402 A 61 ASP H A 61 ASP HBx 1.0 1.0 4.2 533 402 A 61 ASP H A 61 ASP HBy 1.0 1.0 4.2 534 403 A 61 ASP H A 58 SER HBx 1.0 1.0 4.5 535 403 A 58 SER HBy A 61 ASP H 1.0 1.0 4.5 536 404 A 61 ASP H A 60 TYR HBx 1.0 1.0 4.5 537 404 A 60 TYR HBy A 61 ASP H 1.0 1.0 4.5 538 405 A 61 ASP H A 62 LEU HD21 1.0 1.5 6.5 539 406 A 62 LEU H A 63 THR H 1.0 0.0 2.9 540 407 A 61 ASP HA A 62 LEU H 1.0 0.0 2.9 541 408 A 62 LEU H A 62 LEU HA 1.0 0.0 2.9 542 409 A 62 LEU H A 62 LEU HBy 1.0 1.0 3.5 543 409 A 62 LEU H A 62 LEU HBx 1.0 1.0 3.5 544 410 A 62 LEU H A 61 ASP HBx 1.0 1.0 5.5 545 410 A 62 LEU H A 61 ASP HBy 1.0 1.0 5.5 546 411 A 62 LEU H A 62 LEU HG 1.0 0.0 2.5 547 412 A 62 LEU H A 62 LEU HDx% 1.0 1.5 6.5 548 413 A 62 LEU H A 62 LEU HD21 1.0 1.5 6.5 549 414 A 62 LEU H A 63 THR H 1.0 0.0 2.8 550 415 A 61 ASP HA A 63 THR H 1.0 0.0 3.5 551 416 A 63 THR H A 62 LEU HA 1.0 0.0 2.8 552 417 A 63 THR H A 62 LEU HBy 1.0 1.0 4.5 553 417 A 63 THR H A 62 LEU HBx 1.0 1.0 4.5 554 418 A 63 THR H A 63 THR HB 1.0 1.0 3.5 555 419 A 63 THR H A 64 ARG H 1.0 0.0 2.5 556 420 A 63 THR H A 64 ARG HBx 1.0 1.0 5.0 557 420 A 63 THR H A 64 ARG HBy 1.0 1.0 5.0 558 421 A 63 THR H A 63 THR HG21 1.0 1.5 5.0 559 422 A 63 THR H A 57 LEU HDy% 1.0 1.5 6.5 560 423 A 64 ARG H A 63 THR HB 1.0 0.0 4.0 561 424 A 64 ARG H A 64 ARG HBx 1.0 1.0 4.0 562 424 A 64 ARG H A 64 ARG HBy 1.0 1.0 4.0 563 425 A 64 ARG H A 64 ARG HGy 1.0 1.0 4.5 564 425 A 64 ARG HGx A 64 ARG H 1.0 1.0 4.5 565 426 A 64 ARG H A 64 ARG HDx 1.0 0.0 4.5 566 426 A 64 ARG H A 64 ARG HDy 1.0 0.0 4.5 567 427 A 64 ARG H A 57 LEU HDy% 1.0 1.5 6.5 568 428 A 64 ARG H A 63 THR HG21 1.0 1.5 6.5 569 429 A 33 LEU H A 65 GLY H 1.0 0.0 4.0 570 430 A 65 GLY H A 34 CYS HA 1.0 0.0 2.8 571 431 A 65 GLY H A 64 ARG HA 1.0 0.0 2.5 572 432 A 65 GLY H A 65 GLY HAx 1.0 1.0 3.8 573 432 A 65 GLY H A 65 GLY HAy 1.0 1.0 3.8 574 433 A 65 GLY H A 34 CYS HBx 1.0 1.5 5.5 575 433 A 34 CYS HBy A 65 GLY H 1.0 1.5 5.5 576 434 A 32 ILE HG21 A 65 GLY H 1.0 1.5 5.5 577 435 A 56 GLU H A 66 ARG H 1.0 0.0 2.8 578 436 A 55 VAL HA A 66 ARG H 1.0 0.0 4.0 579 437 A 66 ARG H A 57 LEU HA 1.0 0.0 4.0 580 438 A 66 ARG H A 65 GLY HAx 1.0 1.0 3.8 581 438 A 66 ARG H A 65 GLY HAy 1.0 1.0 3.8 582 439 A 66 ARG H A 66 ARG HBy 1.0 1.0 5.0 583 439 A 66 ARG HBx A 66 ARG H 1.0 1.0 5.0 584 440 A 66 ARG H A 66 ARG HGy 1.0 1.0 4.0 585 440 A 66 ARG H A 66 ARG HGx 1.0 1.0 4.0 586 441 A 66 ARG H A 55 VAL HGx% 1.0 1.5 6.0 587 442 A 66 ARG H A 57 LEU HDy% 1.0 1.5 6.5 588 443 A 67 ILE H A 66 ARG HA 1.0 0.0 2.5 589 444 A 67 ILE H A 34 CYS HBx 1.0 1.0 5.0 590 444 A 34 CYS HBy A 67 ILE H 1.0 1.0 5.0 591 445 A 67 ILE H A 66 ARG HBy 1.0 1.0 3.5 592 445 A 67 ILE H A 66 ARG HBx 1.0 1.0 3.5 593 446 A 67 ILE H A 67 ILE HB 1.0 0.0 2.8 594 447 A 67 ILE H A 67 ILE HG1y 1.0 1.0 3.8 595 447 A 67 ILE H A 67 ILE HG1x 1.0 1.0 3.8 596 448 A 67 ILE H A 36 ILE HA 1.0 0.0 3.5 597 449 A 67 ILE H A 40 LEU HDy% 1.0 1.5 6.5 598 450 A 67 ILE H A 67 ILE HD11 1.0 1.5 6.0 599 451 A 68 THR H A 54 ASN HBx 1.0 1.0 5.5 600 451 A 54 ASN HBy A 68 THR H 1.0 1.0 5.5 601 452 A 55 VAL HA A 68 THR H 1.0 0.0 5.0 602 453 A 69 TRP H A 68 THR H 1.0 0.0 2.5 603 454 A 67 ILE HA A 68 THR H 1.0 0.0 2.5 604 455 A 67 ILE HG21 A 68 THR H 1.0 1.5 5.0 605 456 A 68 THR HG21 A 68 THR H 1.0 1.5 5.0 606 457 A 67 ILE HB A 68 THR H 1.0 0.0 4.5 607 458 A 54 ASN H A 69 TRP H 1.0 0.0 3.5 608 459 A 67 ILE HG21 A 69 TRP H 1.0 1.5 4.5 609 460 A 67 ILE HA A 69 TRP HE1 1.0 0.0 3.5 610 461 A 68 THR HG21 A 69 TRP HE1 1.0 1.5 6.5 611 462 A 70 ARG HA A 70 ARG H 1.0 0.0 2.8 612 463 A 70 ARG H A 69 TRP HA 1.0 0.0 2.8 613 464 A 70 ARG H A 69 TRP HBx 1.0 1.0 5.5 614 464 A 70 ARG H A 69 TRP HBy 1.0 1.0 5.5 615 465 A 70 ARG H A 70 ARG HBx 1.0 1.0 4.0 616 465 A 70 ARG H A 70 ARG HBy 1.0 1.0 4.0 617 466 A 70 ARG HA A 70 ARG H 1.0 0.0 2.8 618 467 A 40 LEU HDx% A 70 ARG H 1.0 1.5 6.0 619 468 A 71 LYS H A 71 LYS HA 1.0 0.0 2.8 620 469 A 71 LYS H A 71 LYS HBx 1.0 1.0 4.5 621 469 A 71 LYS H A 71 LYS HBy 1.0 1.0 4.5 622 470 A 70 ARG HA A 71 LYS H 1.0 0.0 2.5 623 471 A 53 VAL HA A 71 LYS H 1.0 0.0 3.5 624 472 A 71 LYS H A 52 LYS HBx 1.0 1.0 5.0 625 472 A 52 LYS HBy A 71 LYS H 1.0 1.0 5.0 626 473 A 71 LYS HA A 72 LYS H 1.0 0.0 2.8 627 474 A 72 LYS H A 72 LYS HBx 1.0 1.0 4.0 628 474 A 72 LYS H A 72 LYS HBy 1.0 1.0 4.0 629 475 A 7 ILE HB A 7 ILE HA 1.0 1.0 4.0 630 476 A 7 ILE HA A 7 ILE HD11 1.0 2.5 5.0 631 477 A 7 ILE HG21 A 7 ILE HA 1.0 2.5 5.5 632 478 A 7 ILE HA A 8 GLU HGx 1.0 1.0 5.0 633 478 A 7 ILE HA A 8 GLU HGy 1.0 1.0 5.0 634 479 A 7 ILE HB A 7 ILE HG21 1.0 1.5 4.0 635 480 A 7 ILE HD11 A 7 ILE HG1y 1.0 2.5 4.5 636 480 A 7 ILE HG1x A 7 ILE HD11 1.0 2.5 4.5 637 481 A 7 ILE HG21 A 9 LEU HG 1.0 1.5 4.0 638 482 A 7 ILE HG21 A 9 LEU HDx% 1.0 3.0 7.0 639 483 A 7 ILE HG21 A 9 LEU HDy% 1.0 3.0 7.0 640 484 A 8 GLU HA A 8 GLU HBx 1.0 1.0 3.5 641 484 A 8 GLU HBy A 8 GLU HA 1.0 1.0 3.5 642 485 A 8 GLU HA A 8 GLU HGx 1.0 1.0 3.5 643 485 A 8 GLU HGy A 8 GLU HA 1.0 1.0 3.5 644 486 A 8 GLU HA A 56 GLU HA 1.0 0.0 3.0 645 487 A 8 GLU HA A 6 VAL HGy% 1.0 1.5 6.0 646 488 A 9 LEU HA A 9 LEU HBx 1.0 1.0 3.5 647 488 A 9 LEU HA A 9 LEU HBy 1.0 1.0 3.5 648 489 A 9 LEU HA A 9 LEU HG 1.0 0.0 3.0 649 490 A 9 LEU HA A 9 LEU HDy% 1.0 1.5 5.0 650 491 A 54 ASN HA A 10 GLU HA 1.0 0.0 2.3 651 492 A 55 VAL HB A 10 GLU HA 1.0 0.0 4.5 652 493 A 10 GLU HA A 10 GLU HBx 1.0 1.0 3.5 653 493 A 10 GLU HBy A 10 GLU HA 1.0 1.0 3.5 654 494 A 10 GLU HA A 10 GLU HGx 1.0 1.0 3.5 655 494 A 10 GLU HA A 10 GLU HGy 1.0 1.0 3.5 656 495 A 10 GLU HA A 55 VAL HGy% 1.0 1.5 5.5 657 496 A 26 LEU HA A 11 GLY HAx 1.0 1.0 3.4 658 496 A 11 GLY HAy A 26 LEU HA 1.0 1.0 3.4 659 497 A 26 LEU HDy% A 11 GLY HAx 1.0 2.5 5.5 660 497 A 11 GLY HAy A 26 LEU HDy% 1.0 2.5 5.5 661 498 A 24 VAL HGx% A 11 GLY HAx 1.0 2.5 5.5 662 498 A 11 GLY HAy A 24 VAL HGx% 1.0 2.5 5.5 663 499 A 12 THR HA A 52 LYS HA 1.0 0.0 2.3 664 500 A 12 THR HA A 52 LYS HGx 1.0 1.0 6.0 665 500 A 12 THR HA A 52 LYS HGy 1.0 1.0 6.0 666 501 A 12 THR HA A 12 THR HB 1.0 0.0 3.3 667 502 A 12 THR HA A 12 THR HG21 1.0 1.5 4.5 668 503 A 12 THR HA A 53 VAL HGy% 1.0 3.0 7.5 669 503 A 12 THR HA A 53 VAL HG11 1.0 3.0 7.5 670 504 A 13 VAL HA A 24 VAL HA 1.0 0.0 2.3 671 505 A 13 VAL HA A 13 VAL HB 1.0 0.0 3.0 672 506 A 13 VAL HA A 13 VAL HG11 1.0 1.5 4.5 673 507 A 13 VAL HA A 13 VAL HG21 1.0 1.5 4.5 674 508 A 13 VAL HA A 24 VAL HGy% 1.0 1.5 5.0 675 509 A 24 VAL HGx% A 13 VAL HA 1.0 1.5 6.5 676 510 A 14 SER HA A 15 GLU HA 1.0 0.0 5.0 677 511 A 14 SER HA A 14 SER HBx 1.0 1.0 3.5 678 511 A 14 SER HBy A 14 SER HA 1.0 1.0 3.5 679 512 A 13 VAL HG11 A 14 SER HA 1.0 1.5 6.5 680 513 A 15 GLU HA A 16 ALA HA 1.0 0.0 4.5 681 514 A 15 GLU HA A 15 GLU HBx 1.0 1.0 3.5 682 514 A 15 GLU HA A 15 GLU HBy 1.0 1.0 3.5 683 515 A 15 GLU HBy A 23 LYS HBx 1.0 2.0 5.0 684 515 A 15 GLU HBx A 23 LYS HBx 1.0 2.0 5.0 685 515 A 23 LYS HBy A 15 GLU HBx 1.0 2.0 5.0 686 515 A 23 LYS HBy A 15 GLU HBy 1.0 2.0 5.0 687 516 A 15 GLU HA A 15 GLU HGx 1.0 1.0 4.5 688 516 A 15 GLU HA A 15 GLU HGy 1.0 1.0 4.5 689 517 A 16 ALA HB% A 16 ALA HA 1.0 1.0 3.5 690 518 A 16 ALA HA A 22 PHE HD% 1.0 2.0 6.5 691 519 A 22 PHE HA A 16 ALA HA 1.0 0.0 3.0 692 520 A 16 ALA HA A 22 PHE HBx 1.0 1.0 4.0 693 520 A 16 ALA HA A 22 PHE HBy 1.0 1.0 4.0 694 521 A 16 ALA HA A 17 LEU HA 1.0 0.0 4.5 695 522 A 16 ALA HA A 17 LEU HG 1.0 0.0 4.0 696 523 A 16 ALA HA A 17 LEU HBx 1.0 1.0 6.0 697 523 A 16 ALA HA A 17 LEU HBy 1.0 1.0 6.0 698 524 A 16 ALA HB% A 22 PHE HD% 1.0 3.5 8.5 699 525 A 16 ALA HB% A 22 PHE HBx 1.0 2.5 6.5 700 525 A 16 ALA HB% A 22 PHE HBy 1.0 2.5 6.5 701 526 A 17 LEU HA A 17 LEU HBx 1.0 1.0 6.5 702 526 A 17 LEU HBy A 17 LEU HA 1.0 1.0 6.5 703 527 A 17 LEU HG A 17 LEU HA 1.0 0.0 3.0 704 528 A 17 LEU HA A 17 LEU HDy% 1.0 1.5 4.5 705 529 A 17 LEU HDx% A 17 LEU HA 1.0 1.5 6.0 706 530 A 16 ALA HB% A 17 LEU HA 1.0 1.5 6.5 707 531 A 18 PRO HA A 17 LEU HA 1.0 0.0 4.5 708 532 A 18 PRO HA A 18 PRO HBx 1.0 1.0 3.8 709 532 A 18 PRO HA A 18 PRO HBy 1.0 1.0 3.8 710 533 A 18 PRO HA A 18 PRO HDx 1.0 1.0 5.0 711 533 A 18 PRO HA A 18 PRO HDy 1.0 1.0 5.0 712 534 A 19 ASN HA A 19 ASN HBx 1.0 1.0 3.5 713 534 A 19 ASN HA A 19 ASN HBy 1.0 1.0 3.5 714 535 A 18 PRO HA A 19 ASN HA 1.0 0.0 4.5 715 536 A 19 ASN HA A 20 ALA HB% 1.0 1.5 6.5 716 537 A 20 ALA HA A 20 ALA HB% 1.0 1.5 4.5 717 538 A 19 ASN HA A 20 ALA HA 1.0 0.0 5.0 718 539 A 21 MET HA A 35 HIS HA 1.0 0.0 3.0 719 540 A 21 MET HA A 21 MET HBx 1.0 1.0 4.0 720 540 A 21 MET HBy A 21 MET HA 1.0 1.0 4.0 721 541 A 21 MET HA A 21 MET HGx 1.0 1.0 4.0 722 541 A 21 MET HGy A 21 MET HA 1.0 1.0 4.0 723 542 A 21 MET HA A 21 MET HE1 1.0 1.5 6.5 724 543 A 22 PHE HD% A 21 MET HA 1.0 2.0 6.5 725 544 A 22 PHE HA A 22 PHE HBx 1.0 1.0 3.8 726 544 A 22 PHE HA A 22 PHE HBy 1.0 1.0 3.8 727 545 A 22 PHE HA A 22 PHE HD% 1.0 2.0 6.0 728 546 A 22 PHE HA A 17 LEU HBx 1.0 1.0 5.5 729 546 A 22 PHE HA A 17 LEU HBy 1.0 1.0 5.5 730 547 A 22 PHE HA A 16 ALA HA 1.0 0.0 3.8 731 548 A 22 PHE HA A 17 LEU HG 1.0 0.0 2.5 732 549 A 22 PHE HA A 17 LEU HDx% 1.0 1.5 4.5 733 550 A 22 PHE HA A 17 LEU HDy% 1.0 1.5 6.5 734 551 A 23 LYS HA A 33 LEU HA 1.0 0.0 2.8 735 552 A 23 LYS HA A 23 LYS HBx 1.0 1.0 3.8 736 552 A 23 LYS HA A 23 LYS HBy 1.0 1.0 3.8 737 553 A 23 LYS HA A 23 LYS HDx 1.0 1.0 5.0 738 553 A 23 LYS HA A 23 LYS HDy 1.0 1.0 5.0 739 554 A 23 LYS HA A 17 LEU HDy% 1.0 1.5 6.5 740 555 A 24 VAL HGy% A 23 LYS HA 1.0 1.5 5.5 741 556 A 13 VAL HA A 24 VAL HA 1.0 0.0 2.3 742 557 A 24 VAL HA A 23 LYS HBx 1.0 1.0 5.5 743 557 A 24 VAL HA A 23 LYS HBy 1.0 1.0 5.5 744 558 A 24 VAL HA A 24 VAL HB 1.0 0.0 3.0 745 559 A 24 VAL HGx% A 24 VAL HA 1.0 1.5 4.5 746 560 A 24 VAL HA A 24 VAL HGy% 1.0 1.5 4.5 747 561 A 24 VAL HGx% A 24 VAL HB 1.0 1.5 4.0 748 562 A 24 VAL HGy% A 24 VAL HB 1.0 1.5 4.0 749 563 A 24 VAL HA A 13 VAL HG11 1.0 1.5 6.5 750 564 A 24 VAL HA A 13 VAL HG21 1.0 1.5 6.5 751 565 A 24 VAL HGy% A 13 VAL HG21 1.0 3.0 5.5 752 566 A 31 GLU HA A 25 LYS HA 1.0 0.0 2.3 753 567 A 25 LYS HA A 25 LYS HBx 1.0 1.0 3.5 754 567 A 25 LYS HBy A 25 LYS HA 1.0 1.0 3.5 755 568 A 25 LYS HA A 25 LYS HGx 1.0 1.0 3.5 756 568 A 25 LYS HA A 25 LYS HGy 1.0 1.0 3.5 757 569 A 25 LYS HA A 23 LYS HGy 1.0 1.0 6.5 758 569 A 23 LYS HGx A 25 LYS HA 1.0 1.0 6.5 759 570 A 26 LEU HA A 26 LEU HBx 1.0 1.0 3.6 760 570 A 26 LEU HA A 26 LEU HBy 1.0 1.0 3.6 761 571 A 26 LEU HA A 26 LEU HG 1.0 0.0 3.0 762 572 A 26 LEU HA A 26 LEU HDx% 1.0 1.5 5.5 763 573 A 26 LEU HA A 26 LEU HDy% 1.0 1.5 4.5 764 574 A 26 LEU HDy% A 55 VAL HGx% 1.0 3.0 6.5 765 575 A 26 LEU HDy% A 55 VAL HGy% 1.0 3.0 7.5 766 576 A 26 LEU HBx A 30 HIS HBy 1.0 2.0 6.0 767 576 A 26 LEU HBy A 30 HIS HBy 1.0 2.0 6.0 768 576 A 30 HIS HBx A 26 LEU HBx 1.0 2.0 6.0 769 576 A 26 LEU HBy A 30 HIS HBx 1.0 2.0 6.0 770 577 A 27 GLU HA A 27 GLU HBy 1.0 1.0 4.0 771 577 A 27 GLU HBx A 27 GLU HA 1.0 1.0 4.0 772 578 A 27 GLU HA A 27 GLU HGx 1.0 1.0 4.0 773 578 A 27 GLU HGy A 27 GLU HA 1.0 1.0 4.0 774 579 A 26 LEU HA A 27 GLU HA 1.0 0.0 4.5 775 580 A 28 ASN HA A 28 ASN HBx 1.0 1.0 3.4 776 580 A 28 ASN HBy A 28 ASN HA 1.0 1.0 3.4 777 581 A 28 ASN HA A 29 GLY HAx 1.0 1.0 6.0 778 581 A 28 ASN HA A 29 GLY HAy 1.0 1.0 6.0 779 582 A 30 HIS HA A 29 GLY HAx 1.0 1.0 6.0 780 582 A 29 GLY HAy A 30 HIS HA 1.0 1.0 6.0 781 583 A 31 GLU HA A 30 HIS HA 1.0 0.0 4.5 782 584 A 30 HIS HA A 31 GLU HBx 1.0 1.0 5.5 783 584 A 30 HIS HA A 31 GLU HBy 1.0 1.0 5.5 784 585 A 30 HIS HA A 30 HIS HBy 1.0 1.0 3.8 785 585 A 30 HIS HBx A 30 HIS HA 1.0 1.0 3.8 786 586 A 30 HIS HA A 30 HIS HD2 1.0 0.0 3.0 787 587 A 30 HIS HA A 25 LYS HBx 1.0 1.0 6.5 788 587 A 25 LYS HBy A 30 HIS HA 1.0 1.0 6.5 789 588 A 26 LEU HDx% A 30 HIS HBy 1.0 2.5 6.5 790 588 A 26 LEU HDx% A 30 HIS HBx 1.0 2.5 6.5 791 589 A 31 GLU HA A 31 GLU HBx 1.0 1.0 3.5 792 589 A 31 GLU HA A 31 GLU HBy 1.0 1.0 3.5 793 590 A 31 GLU HA A 25 LYS HA 1.0 0.0 2.3 794 591 A 31 GLU HA A 31 GLU HGy 1.0 1.0 4.0 795 591 A 31 GLU HA A 31 GLU HGx 1.0 1.0 4.0 796 592 A 31 GLU HA A 25 LYS HBx 1.0 1.0 6.0 797 592 A 25 LYS HBy A 31 GLU HA 1.0 1.0 6.0 798 593 A 31 GLU HA A 26 LEU HG 1.0 0.0 5.0 799 594 A 32 ILE HB A 32 ILE HA 1.0 0.0 2.5 800 595 A 32 ILE HA A 32 ILE HG1y 1.0 1.0 4.5 801 595 A 32 ILE HG1x A 32 ILE HA 1.0 1.0 4.5 802 596 A 32 ILE HG21 A 32 ILE HA 1.0 1.5 5.0 803 597 A 32 ILE HD11 A 32 ILE HA 1.0 1.5 4.5 804 598 A 33 LEU HA A 32 ILE HA 1.0 0.0 4.5 805 599 A 32 ILE HB A 32 ILE HG1y 1.0 1.5 4.0 806 599 A 32 ILE HB A 32 ILE HG1x 1.0 1.5 4.0 807 600 A 32 ILE HB A 32 ILE HG21 1.0 1.5 4.0 808 601 A 32 ILE HA A 33 LEU HDx% 1.0 1.5 6.0 809 602 A 23 LYS HA A 33 LEU HA 1.0 0.0 2.8 810 603 A 33 LEU HA A 33 LEU HBx 1.0 1.0 3.8 811 603 A 33 LEU HA A 33 LEU HBy 1.0 1.0 3.8 812 604 A 33 LEU HA A 33 LEU HG 1.0 0.0 2.8 813 605 A 33 LEU HA A 33 LEU HDx% 1.0 1.5 5.0 814 606 A 33 LEU HA A 33 LEU HDy% 1.0 1.5 5.5 815 607 A 33 LEU HDx% A 33 LEU HBx 1.0 2.5 5.5 816 607 A 33 LEU HBy A 33 LEU HDx% 1.0 2.5 5.5 817 608 A 33 LEU HDy% A 33 LEU HBx 1.0 2.5 5.5 818 608 A 33 LEU HBy A 33 LEU HDy% 1.0 2.5 5.5 819 609 A 33 LEU HBy A 64 ARG HGy 1.0 2.0 6.0 820 609 A 33 LEU HBx A 64 ARG HGy 1.0 2.0 6.0 821 609 A 64 ARG HGx A 33 LEU HBx 1.0 2.0 6.0 822 609 A 64 ARG HGx A 33 LEU HBy 1.0 2.0 6.0 823 610 A 34 CYS HA A 34 CYS HBx 1.0 1.5 4.0 824 610 A 34 CYS HBy A 34 CYS HA 1.0 1.5 4.0 825 611 A 34 CYS HA A 55 VAL HGx% 1.0 1.5 6.5 826 612 A 64 ARG HA A 34 CYS HA 1.0 0.0 4.5 827 613 A 34 CYS HA A 66 ARG HA 1.0 0.0 3.0 828 614 A 32 ILE HG21 A 34 CYS HA 1.0 1.5 5.5 829 615 A 33 LEU HA A 34 CYS HBx 1.0 1.0 5.5 830 615 A 34 CYS HBy A 33 LEU HA 1.0 1.0 5.5 831 616 A 67 ILE HD11 A 34 CYS HBx 1.0 2.5 6.0 832 616 A 34 CYS HBy A 67 ILE HD11 1.0 2.5 6.0 833 617 A 34 CYS HBy A 55 VAL HGy% 1.0 4.0 8.5 834 617 A 34 CYS HBx A 55 VAL HGy% 1.0 4.0 8.5 835 617 A 55 VAL HGx% A 34 CYS HBx 1.0 4.0 8.5 836 617 A 34 CYS HBy A 55 VAL HGx% 1.0 4.0 8.5 837 618 A 24 VAL HGy% A 34 CYS HBx 1.0 2.5 6.5 838 618 A 24 VAL HGy% A 34 CYS HBy 1.0 2.5 6.5 839 619 A 21 MET HA A 35 HIS HA 1.0 0.0 3.0 840 620 A 35 HIS HA A 35 HIS HBx 1.0 1.0 4.0 841 620 A 35 HIS HA A 35 HIS HBy 1.0 1.0 4.0 842 621 A 35 HIS HA A 35 HIS HD2 1.0 0.0 4.0 843 622 A 35 HIS HD2 A 35 HIS HBx 1.0 1.0 4.0 844 622 A 35 HIS HBy A 35 HIS HD2 1.0 1.0 4.0 845 623 A 35 HIS HA A 36 ILE HA 1.0 0.0 5.0 846 624 A 22 PHE HD% A 35 HIS HA 1.0 2.0 5.0 847 625 A 35 HIS HA A 36 ILE HB 1.0 0.0 5.0 848 626 A 35 HIS HA A 36 ILE HG1y 1.0 1.0 5.0 849 626 A 35 HIS HA A 36 ILE HG1x 1.0 1.0 5.0 850 627 A 36 ILE HA A 36 ILE HB 1.0 0.0 3.0 851 628 A 36 ILE HA A 36 ILE HG1y 1.0 1.0 3.5 852 628 A 36 ILE HA A 36 ILE HG1x 1.0 1.0 3.5 853 629 A 36 ILE HA A 36 ILE HG21 1.0 1.5 5.5 854 630 A 36 ILE HD11 A 36 ILE HA 1.0 1.5 6.5 855 631 A 36 ILE HB A 36 ILE HG1y 1.0 1.0 3.5 856 631 A 36 ILE HB A 36 ILE HG1x 1.0 1.0 3.5 857 632 A 36 ILE HB A 36 ILE HG21 1.0 1.5 4.0 858 633 A 36 ILE HB A 36 ILE HG21 1.0 1.5 4.5 859 634 A 37 SER HA A 37 SER HBx 1.0 1.0 3.5 860 634 A 37 SER HA A 37 SER HBy 1.0 1.0 3.5 861 635 A 38 GLY HAx A 41 ARG HBy 1.0 2.0 4.5 862 635 A 38 GLY HAy A 41 ARG HBy 1.0 2.0 4.5 863 635 A 41 ARG HBx A 38 GLY HAx 1.0 2.0 4.5 864 635 A 38 GLY HAy A 41 ARG HBx 1.0 2.0 4.5 865 636 A 38 GLY HAx A 41 ARG HGx 1.0 2.0 6.0 866 636 A 38 GLY HAy A 41 ARG HGx 1.0 2.0 6.0 867 636 A 41 ARG HGy A 38 GLY HAx 1.0 2.0 6.0 868 636 A 38 GLY HAy A 41 ARG HGy 1.0 2.0 6.0 869 637 A 39 LYS HA A 38 GLY HAx 1.0 1.0 5.5 870 637 A 38 GLY HAy A 39 LYS HA 1.0 1.0 5.5 871 638 A 39 LYS HA A 42 MET HBx 1.0 1.0 4.5 872 638 A 39 LYS HA A 42 MET HBy 1.0 1.0 4.5 873 639 A 39 LYS HA A 39 LYS HBx 1.0 1.0 4.0 874 639 A 39 LYS HA A 39 LYS HBy 1.0 1.0 4.0 875 640 A 39 LYS HA A 39 LYS HGx 1.0 1.0 4.5 876 640 A 39 LYS HA A 39 LYS HGy 1.0 1.0 4.5 877 641 A 39 LYS HA A 40 LEU HA 1.0 0.0 5.0 878 642 A 40 LEU HA A 43 ASN HBx 1.0 1.0 3.5 879 642 A 40 LEU HA A 43 ASN HBy 1.0 1.0 3.5 880 643 A 40 LEU HA A 40 LEU HBx 1.0 1.0 3.5 881 643 A 40 LEU HBy A 40 LEU HA 1.0 1.0 3.5 882 644 A 40 LEU HA A 40 LEU HG 1.0 1.0 3.5 883 645 A 40 LEU HA A 40 LEU HDx% 1.0 1.5 4.5 884 646 A 40 LEU HA A 40 LEU HDy% 1.0 1.5 5.5 885 647 A 40 LEU HBy A 40 LEU HDx% 1.0 2.5 5.5 886 647 A 40 LEU HDx% A 40 LEU HBx 1.0 2.5 5.5 887 648 A 40 LEU HBx A 40 LEU HDy% 1.0 2.5 5.5 888 648 A 40 LEU HBy A 40 LEU HDy% 1.0 2.5 5.5 889 649 A 40 LEU HA A 41 ARG HA 1.0 0.0 5.0 890 650 A 41 ARG HA A 42 MET HA 1.0 0.0 5.0 891 651 A 41 ARG HA A 41 ARG HBy 1.0 1.0 3.5 892 651 A 41 ARG HA A 41 ARG HBx 1.0 1.0 3.5 893 652 A 41 ARG HA A 41 ARG HGx 1.0 1.0 3.5 894 652 A 41 ARG HA A 41 ARG HGy 1.0 1.0 3.5 895 653 A 41 ARG HA A 41 ARG HDx 1.0 1.0 5.0 896 653 A 41 ARG HA A 41 ARG HDy 1.0 1.0 5.0 897 654 A 42 MET HA A 43 ASN HA 1.0 0.0 5.0 898 655 A 42 MET HA A 42 MET HBx 1.0 1.0 3.5 899 655 A 42 MET HA A 42 MET HBy 1.0 1.0 3.5 900 656 A 42 MET HA A 42 MET HGx 1.0 1.0 4.5 901 656 A 42 MET HA A 42 MET HGy 1.0 1.0 4.5 902 657 A 42 MET HA A 42 MET HE% 1.0 1.5 5.0 903 658 A 43 ASN HA A 43 ASN HBx 1.0 1.0 3.5 904 658 A 43 ASN HBy A 43 ASN HA 1.0 1.0 3.5 905 659 A 45 ILE HD11 A 43 ASN HBx 1.0 1.5 4.5 906 659 A 43 ASN HBy A 45 ILE HD11 1.0 1.5 4.5 907 660 A 44 PHE HA A 44 PHE HBy 1.0 1.0 3.8 908 660 A 44 PHE HA A 44 PHE HBx 1.0 1.0 3.8 909 661 A 44 PHE HA A 44 PHE HD% 1.0 2.0 6.0 910 662 A 44 PHE HA A 45 ILE HA 1.0 0.0 5.0 911 663 A 44 PHE HD% A 44 PHE HBy 1.0 2.0 4.5 912 663 A 44 PHE HBx A 44 PHE HD% 1.0 2.0 4.5 913 664 A 45 ILE HA A 45 ILE HB 1.0 0.0 3.0 914 665 A 45 ILE HA A 45 ILE HG1y 1.0 1.0 3.5 915 665 A 45 ILE HA A 45 ILE HG1x 1.0 1.0 3.5 916 666 A 45 ILE HA A 45 ILE HG21 1.0 1.5 4.5 917 667 A 45 ILE HA A 45 ILE HD11 1.0 1.5 6.0 918 668 A 45 ILE HB A 45 ILE HG1y 1.0 1.0 3.5 919 668 A 45 ILE HB A 45 ILE HG1x 1.0 1.0 3.5 920 669 A 45 ILE HB A 45 ILE HG21 1.0 1.0 3.5 921 670 A 45 ILE HB A 45 ILE HD11 1.0 1.5 4.0 922 671 A 46 ARG HA A 46 ARG HBy 1.0 1.0 3.5 923 671 A 46 ARG HA A 46 ARG HBx 1.0 1.0 3.5 924 672 A 46 ARG HA A 46 ARG HBy 1.0 1.0 3.8 925 672 A 46 ARG HA A 46 ARG HBx 1.0 1.0 3.8 926 673 A 46 ARG HA A 46 ARG HDx 1.0 1.0 6.0 927 673 A 46 ARG HA A 46 ARG HDy 1.0 1.0 6.0 928 674 A 47 ILE HA A 47 ILE HB 1.0 0.0 3.0 929 675 A 47 ILE HA A 47 ILE HG1y 1.0 1.0 3.8 930 675 A 47 ILE HA A 47 ILE HG1x 1.0 1.0 3.8 931 676 A 47 ILE HA A 47 ILE HG21 1.0 1.5 4.5 932 677 A 47 ILE HA A 47 ILE HD11 1.0 1.5 6.5 933 678 A 47 ILE HB A 47 ILE HG21 1.0 1.5 4.0 934 679 A 47 ILE HB A 48 LEU HDy% 1.0 3.0 7.5 935 679 A 47 ILE HB A 48 LEU HDx% 1.0 3.0 7.5 936 680 A 48 LEU HA A 48 LEU HBx 1.0 1.0 3.8 937 680 A 48 LEU HBy A 48 LEU HA 1.0 1.0 3.8 938 681 A 48 LEU HA A 48 LEU HG 1.0 0.0 3.5 939 682 A 48 LEU HA A 48 LEU HDx% 1.0 1.5 5.5 940 683 A 48 LEU HA A 48 LEU HDy% 1.0 1.5 4.5 941 684 A 48 LEU HG A 48 LEU HDy% 1.0 3.0 5.5 942 684 A 48 LEU HDx% A 48 LEU HG 1.0 3.0 5.5 943 685 A 49 GLU HA A 49 GLU HBx 1.0 1.0 3.5 944 685 A 49 GLU HA A 49 GLU HBy 1.0 1.0 3.5 945 686 A 49 GLU HA A 49 GLU HGx 1.0 1.0 4.5 946 686 A 49 GLU HA A 49 GLU HGy 1.0 1.0 4.5 947 687 A 13 VAL HB A 49 GLU HA 1.0 0.0 2.5 948 688 A 13 VAL HG11 A 49 GLU HA 1.0 1.5 4.5 949 689 A 49 GLU HA A 13 VAL HG21 1.0 1.5 5.5 950 690 A 48 LEU HA A 49 GLU HA 1.0 0.0 4.5 951 691 A 12 THR HG21 A 50 GLY HAx 1.0 2.5 4.5 952 691 A 12 THR HG21 A 50 GLY HAy 1.0 2.5 4.5 953 692 A 51 ASP HA A 50 GLY HAx 1.0 1.0 5.5 954 692 A 50 GLY HAy A 51 ASP HA 1.0 1.0 5.5 955 693 A 49 GLU HA A 50 GLY HAx 1.0 1.0 5.5 956 693 A 49 GLU HA A 50 GLY HAy 1.0 1.0 5.5 957 694 A 51 ASP HA A 51 ASP HBx 1.0 1.0 3.5 958 694 A 51 ASP HBy A 51 ASP HA 1.0 1.0 3.5 959 695 A 51 ASP HA A 52 LYS HBx 1.0 1.0 5.5 960 695 A 51 ASP HA A 52 LYS HBy 1.0 1.0 5.5 961 696 A 13 VAL HB A 51 ASP HBx 1.0 1.0 5.0 962 696 A 13 VAL HB A 51 ASP HBy 1.0 1.0 5.0 963 697 A 12 THR HA A 52 LYS HA 1.0 0.0 2.3 964 698 A 12 THR HB A 52 LYS HA 1.0 0.0 5.0 965 699 A 12 THR HG21 A 52 LYS HA 1.0 1.5 6.0 966 700 A 52 LYS HA A 52 LYS HBx 1.0 1.0 3.8 967 700 A 52 LYS HA A 52 LYS HBy 1.0 1.0 3.8 968 701 A 52 LYS HA A 52 LYS HGx 1.0 1.0 3.8 969 701 A 52 LYS HA A 52 LYS HGy 1.0 1.0 3.8 970 702 A 52 LYS HA A 53 VAL HA 1.0 0.0 4.5 971 703 A 52 LYS HA A 53 VAL HGy% 1.0 3.0 6.5 972 703 A 52 LYS HA A 53 VAL HG11 1.0 3.0 6.5 973 704 A 52 LYS HA A 53 VAL HB 1.0 0.0 5.0 974 705 A 53 VAL HA A 70 ARG HA 1.0 0.0 2.3 975 706 A 53 VAL HA A 70 ARG HBx 1.0 1.0 5.5 976 706 A 53 VAL HA A 70 ARG HBy 1.0 1.0 5.5 977 707 A 53 VAL HB A 53 VAL HA 1.0 0.0 3.0 978 708 A 53 VAL HB A 53 VAL HG11 1.0 1.5 4.0 979 709 A 53 VAL HB A 53 VAL HGy% 1.0 1.5 4.0 980 710 A 53 VAL HA A 53 VAL HG11 1.0 1.5 4.5 981 711 A 53 VAL HA A 53 VAL HGy% 1.0 1.5 6.0 982 712 A 54 ASN HA A 53 VAL HA 1.0 0.0 4.5 983 713 A 53 VAL HB A 67 ILE HG21 1.0 1.5 4.5 984 714 A 53 VAL HB A 67 ILE HD11 1.0 1.5 5.0 985 715 A 53 VAL HB A 67 ILE HB 1.0 0.0 5.0 986 716 A 53 VAL HB A 55 VAL HGy% 1.0 1.5 6.0 987 717 A 53 VAL HGy% A 55 VAL HGy% 1.0 3.0 7.0 988 718 A 67 ILE HG21 A 53 VAL HG11 1.0 3.0 7.5 989 719 A 54 ASN HA A 10 GLU HA 1.0 0.0 2.3 990 720 A 54 ASN HA A 10 GLU HGx 1.0 1.0 4.0 991 720 A 54 ASN HA A 10 GLU HGy 1.0 1.0 4.0 992 721 A 54 ASN HA A 54 ASN HBx 1.0 1.0 3.5 993 721 A 54 ASN HA A 54 ASN HBy 1.0 1.0 3.5 994 722 A 54 ASN HA A 67 ILE HD11 1.0 1.5 6.5 995 723 A 54 ASN HA A 55 VAL HGy% 1.0 1.5 5.5 996 724 A 54 ASN HA A 55 VAL HA 1.0 0.0 4.5 997 725 A 54 ASN HBx A 69 TRP HBx 1.0 2.0 6.5 998 725 A 54 ASN HBy A 69 TRP HBx 1.0 2.0 6.5 999 725 A 69 TRP HBy A 54 ASN HBx 1.0 2.0 6.5 1000 725 A 54 ASN HBy A 69 TRP HBy 1.0 2.0 6.5 1001 726 A 55 VAL HA A 67 ILE HA 1.0 0.0 3.0 1002 727 A 55 VAL HB A 55 VAL HA 1.0 0.0 3.0 1003 728 A 55 VAL HA A 55 VAL HGx% 1.0 1.5 5.0 1004 729 A 55 VAL HA A 55 VAL HGy% 1.0 1.5 5.0 1005 730 A 55 VAL HA A 67 ILE HG1y 1.0 1.0 5.5 1006 730 A 55 VAL HA A 67 ILE HG1x 1.0 1.0 5.5 1007 731 A 55 VAL HB A 55 VAL HGx% 1.0 1.5 4.0 1008 732 A 55 VAL HB A 55 VAL HGy% 1.0 1.5 4.0 1009 733 A 55 VAL HB A 57 LEU HG 1.0 0.0 4.0 1010 734 A 55 VAL HB A 57 LEU HDy% 1.0 1.5 6.0 1011 735 A 55 VAL HB A 57 LEU HDx% 1.0 1.5 6.5 1012 736 A 55 VAL HGx% A 57 LEU HDy% 1.0 3.0 6.0 1013 737 A 57 LEU HDx% A 55 VAL HGx% 1.0 3.0 7.5 1014 738 A 8 GLU HA A 56 GLU HA 1.0 0.0 3.0 1015 739 A 56 GLU HA A 8 GLU HBx 1.0 1.0 6.0 1016 739 A 8 GLU HBy A 56 GLU HA 1.0 1.0 6.0 1017 740 A 56 GLU HA A 8 GLU HGx 1.0 1.0 5.5 1018 740 A 8 GLU HGy A 56 GLU HA 1.0 1.0 5.5 1019 741 A 56 GLU HA A 56 GLU HBx 1.0 1.0 3.5 1020 741 A 56 GLU HA A 56 GLU HBy 1.0 1.0 3.5 1021 742 A 56 GLU HA A 56 GLU HGx 1.0 1.0 3.5 1022 742 A 56 GLU HA A 56 GLU HGy 1.0 1.0 3.5 1023 743 A 56 GLU HA A 57 LEU HA 1.0 0.0 4.5 1024 744 A 56 GLU HA A 55 VAL HGx% 1.0 1.5 6.0 1025 745 A 57 LEU HA A 65 GLY HAx 1.0 1.0 3.5 1026 745 A 57 LEU HA A 65 GLY HAy 1.0 1.0 3.5 1027 746 A 57 LEU HA A 57 LEU HBx 1.0 1.0 3.8 1028 746 A 57 LEU HBy A 57 LEU HA 1.0 1.0 3.8 1029 747 A 57 LEU HG A 57 LEU HA 1.0 0.0 3.0 1030 748 A 57 LEU HA A 57 LEU HDy% 1.0 1.5 4.5 1031 749 A 57 LEU HA A 57 LEU HDx% 1.0 1.5 6.5 1032 750 A 57 LEU HA A 58 SER HA 1.0 0.0 4.5 1033 751 A 57 LEU HG A 57 LEU HDy% 1.0 1.5 4.0 1034 752 A 57 LEU HG A 57 LEU HDx% 1.0 1.5 4.0 1035 753 A 57 LEU HBx A 57 LEU HDy% 1.0 2.5 5.5 1036 753 A 57 LEU HBy A 57 LEU HDy% 1.0 2.5 5.5 1037 754 A 57 LEU HDx% A 57 LEU HBx 1.0 2.5 6.5 1038 754 A 57 LEU HBy A 57 LEU HDx% 1.0 2.5 6.5 1039 755 A 7 ILE HA A 57 LEU HBx 1.0 1.0 6.0 1040 755 A 57 LEU HBy A 7 ILE HA 1.0 1.0 6.0 1041 756 A 58 SER HA A 59 PRO HBx 1.0 1.0 6.0 1042 756 A 59 PRO HBy A 58 SER HA 1.0 1.0 6.0 1043 757 A 58 SER HA A 59 PRO HDx 1.0 1.0 4.0 1044 757 A 59 PRO HDy A 58 SER HA 1.0 1.0 4.0 1045 758 A 59 PRO HA A 59 PRO HBx 1.0 1.0 3.5 1046 758 A 59 PRO HA A 59 PRO HBy 1.0 1.0 3.5 1047 759 A 59 PRO HA A 59 PRO HDx 1.0 1.0 4.5 1048 759 A 59 PRO HA A 59 PRO HDy 1.0 1.0 4.5 1049 760 A 59 PRO HA A 62 LEU HD21 1.0 1.5 5.0 1050 761 A 60 TYR HA A 60 TYR HBx 1.0 1.0 3.8 1051 761 A 60 TYR HBy A 60 TYR HA 1.0 1.0 3.8 1052 762 A 60 TYR HA A 60 TYR HD% 1.0 2.0 5.8 1053 763 A 61 ASP HA A 61 ASP HBx 1.0 1.0 3.8 1054 763 A 61 ASP HA A 61 ASP HBy 1.0 1.0 3.8 1055 764 A 62 LEU HA A 62 LEU HBy 1.0 1.0 3.8 1056 764 A 62 LEU HA A 62 LEU HBx 1.0 1.0 3.8 1057 765 A 62 LEU HA A 62 LEU HG 1.0 0.0 3.0 1058 766 A 62 LEU HD21 A 62 LEU HA 1.0 1.5 4.5 1059 767 A 62 LEU HA A 62 LEU HDx% 1.0 1.5 6.5 1060 768 A 63 THR HG21 A 63 THR HA 1.0 1.5 4.5 1061 769 A 63 THR HB A 63 THR HA 1.0 0.0 3.0 1062 770 A 63 THR HG21 A 63 THR HB 1.0 1.5 3.5 1063 771 A 32 ILE HG21 A 63 THR HA 1.0 1.5 5.5 1064 772 A 32 ILE HG21 A 64 ARG HA 1.0 1.5 6.0 1065 773 A 64 ARG HA A 33 LEU HBx 1.0 1.0 4.0 1066 773 A 64 ARG HA A 33 LEU HBy 1.0 1.0 4.0 1067 774 A 64 ARG HA A 64 ARG HBx 1.0 1.0 4.0 1068 774 A 64 ARG HA A 64 ARG HBy 1.0 1.0 4.0 1069 775 A 64 ARG HA A 64 ARG HGy 1.0 1.0 4.0 1070 775 A 64 ARG HA A 64 ARG HGx 1.0 1.0 4.0 1071 776 A 64 ARG HA A 64 ARG HDx 1.0 1.0 6.0 1072 776 A 64 ARG HA A 64 ARG HDy 1.0 1.0 6.0 1073 777 A 64 ARG HA A 64 ARG HE 1.0 1.0 6.0 1074 778 A 57 LEU HA A 65 GLY HAx 1.0 1.0 3.5 1075 778 A 57 LEU HA A 65 GLY HAy 1.0 1.0 3.5 1076 779 A 65 GLY HAy A 55 VAL HGx% 1.0 2.5 6.5 1077 779 A 55 VAL HGx% A 65 GLY HAx 1.0 2.5 6.5 1078 780 A 64 ARG HBx A 65 GLY HAx 1.0 2.0 6.5 1079 780 A 64 ARG HBy A 65 GLY HAx 1.0 2.0 6.5 1080 780 A 65 GLY HAy A 64 ARG HBx 1.0 2.0 6.5 1081 780 A 65 GLY HAy A 64 ARG HBy 1.0 2.0 6.5 1082 781 A 32 ILE HB A 65 GLY HAx 1.0 1.0 6.0 1083 781 A 32 ILE HB A 65 GLY HAy 1.0 1.0 6.0 1084 782 A 32 ILE HG21 A 65 GLY HAx 1.0 2.5 6.5 1085 782 A 32 ILE HG21 A 65 GLY HAy 1.0 2.5 6.5 1086 783 A 65 GLY HAy A 57 LEU HDy% 1.0 2.5 6.0 1087 783 A 57 LEU HDy% A 65 GLY HAx 1.0 2.5 6.0 1088 784 A 34 CYS HA A 66 ARG HA 1.0 0.0 2.8 1089 785 A 66 ARG HA A 36 ILE HA 1.0 0.0 5.0 1090 786 A 66 ARG HA A 35 HIS HBx 1.0 1.0 5.0 1091 786 A 35 HIS HBy A 66 ARG HA 1.0 1.0 5.0 1092 787 A 66 ARG HA A 34 CYS HBx 1.0 1.0 5.0 1093 787 A 34 CYS HBy A 66 ARG HA 1.0 1.0 5.0 1094 788 A 66 ARG HA A 67 ILE HG1y 1.0 1.0 5.5 1095 788 A 66 ARG HA A 67 ILE HG1x 1.0 1.0 5.5 1096 789 A 66 ARG HA A 67 ILE HB 1.0 0.0 5.0 1097 790 A 66 ARG HA A 66 ARG HBy 1.0 1.0 3.5 1098 790 A 66 ARG HA A 66 ARG HBx 1.0 1.0 3.5 1099 791 A 66 ARG HA A 66 ARG HGy 1.0 1.0 4.5 1100 791 A 66 ARG HA A 66 ARG HGx 1.0 1.0 4.5 1101 792 A 66 ARG HA A 66 ARG HDx 1.0 1.0 6.0 1102 792 A 66 ARG HA A 66 ARG HDy 1.0 1.0 6.0 1103 793 A 67 ILE HA A 67 ILE HB 1.0 0.0 2.9 1104 794 A 67 ILE HA A 67 ILE HG1y 1.0 1.0 3.9 1105 794 A 67 ILE HA A 67 ILE HG1x 1.0 1.0 3.9 1106 795 A 67 ILE HG21 A 67 ILE HA 1.0 1.5 4.5 1107 796 A 67 ILE HA A 67 ILE HD11 1.0 1.5 6.5 1108 797 A 55 VAL HA A 67 ILE HA 1.0 0.0 3.5 1109 798 A 53 VAL HB A 67 ILE HA 1.0 0.0 3.9 1110 799 A 36 ILE HA A 67 ILE HB 1.0 0.0 3.5 1111 800 A 67 ILE HB A 36 ILE HG1y 1.0 1.0 3.5 1112 800 A 36 ILE HG1x A 67 ILE HB 1.0 1.0 3.5 1113 801 A 67 ILE HD11 A 34 CYS HBx 1.0 2.5 5.5 1114 801 A 34 CYS HBy A 67 ILE HD11 1.0 2.5 5.5 1115 802 A 22 PHE HD% A 67 ILE HD11 1.0 3.5 7.5 1116 803 A 67 ILE HD11 A 22 PHE HEx 1.0 1.5 5.0 1117 804 A 67 ILE HD11 A 53 VAL HGy% 1.0 3.0 6.0 1118 805 A 67 ILE HD11 A 53 VAL HG11 1.0 3.0 5.5 1119 806 A 67 ILE HD11 A 13 VAL HG21 1.0 3.0 7.0 1120 807 A 68 THR HA A 68 THR HB 1.0 0.0 2.5 1121 808 A 68 THR HG21 A 68 THR HA 1.0 1.5 4.3 1122 809 A 67 ILE HD11 A 68 THR HA 1.0 1.5 7.0 1123 810 A 68 THR HG21 A 66 ARG HBy 1.0 2.5 6.5 1124 810 A 66 ARG HBx A 68 THR HG21 1.0 2.5 6.5 1125 811 A 68 THR HG21 A 66 ARG HGy 1.0 2.5 5.5 1126 811 A 68 THR HG21 A 66 ARG HGx 1.0 2.5 5.5 1127 812 A 68 THR HG21 A 66 ARG HDx 1.0 2.5 5.5 1128 812 A 68 THR HG21 A 66 ARG HDy 1.0 2.5 5.5 1129 813 A 69 TRP HA A 69 TRP HBx 1.0 1.0 3.8 1130 813 A 69 TRP HA A 69 TRP HBy 1.0 1.0 3.8 1131 814 A 69 TRP HA A 69 TRP HD1 1.0 2.0 5.5 1132 815 A 69 TRP HBy A 69 TRP HD1 1.0 1.0 5.0 1133 815 A 69 TRP HD1 A 69 TRP HBx 1.0 1.0 5.0 1134 816 A 67 ILE HG21 A 69 TRP HA 1.0 1.5 6.5 1135 817 A 69 TRP HE3 A 69 TRP HBx 1.0 1.0 4.5 1136 817 A 69 TRP HBy A 69 TRP HE3 1.0 1.0 4.5 1137 818 A 68 THR HA A 69 TRP HBx 1.0 1.0 6.0 1138 818 A 69 TRP HBy A 68 THR HA 1.0 1.0 6.0 1139 819 A 70 ARG HA A 70 ARG HBx 1.0 1.0 3.5 1140 819 A 70 ARG HA A 70 ARG HBy 1.0 1.0 3.5 1141 820 A 70 ARG HA A 70 ARG HGx 1.0 1.0 3.5 1142 820 A 70 ARG HA A 70 ARG HGy 1.0 1.0 3.5 1143 821 A 70 ARG HA A 70 ARG HDx 1.0 1.0 5.0 1144 821 A 70 ARG HA A 70 ARG HDy 1.0 1.0 5.0 1145 822 A 71 LYS HA A 71 LYS HBx 1.0 1.0 3.5 1146 822 A 71 LYS HA A 71 LYS HBy 1.0 1.0 3.5 1147 823 A 71 LYS HA A 71 LYS HGx 1.0 1.0 3.5 1148 823 A 71 LYS HA A 71 LYS HGy 1.0 1.0 3.5 1149 824 A 71 LYS HA A 71 LYS HDx 1.0 1.0 4.0 1150 824 A 71 LYS HA A 71 LYS HDy 1.0 1.0 4.0 1151 825 A 72 LYS HA A 72 LYS HBx 1.0 1.0 3.5 1152 825 A 72 LYS HBy A 72 LYS HA 1.0 1.0 3.5 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 38 GLY O A 42 MET N 1.0 0.0 3.3 2 2 A 42 MET H A 38 GLY O 1.0 0.0 2.3 3 3 A 39 LYS O A 43 ASN N 1.0 0.0 3.3 4 4 A 43 ASN H A 39 LYS O 1.0 0.0 2.3 5 5 A 57 LEU H A 7 ILE O 1.0 0.0 2.3 6 6 A 7 ILE H A 57 LEU O 1.0 0.0 2.3 7 7 A 55 VAL H A 9 LEU O 1.0 0.0 2.3 8 8 A 9 LEU H A 55 VAL O 1.0 0.0 2.3 9 9 A 53 VAL H A 11 GLY O 1.0 0.0 2.3 10 10 A 11 GLY H A 53 VAL O 1.0 0.0 2.3 11 11 A 25 LYS H A 12 THR O 1.0 0.0 2.3 12 12 A 12 THR H A 25 LYS O 1.0 0.0 2.3 13 13 A 50 GLY H A 13 VAL O 1.0 0.0 2.0 14 14 A 13 VAL H A 51 ASP O 1.0 0.0 2.3 15 15 A 14 SER H A 23 LYS O 1.0 0.0 2.3 16 16 A 23 LYS H A 15 GLU O 1.0 0.0 2.3 17 17 A 17 LEU H A 21 MET O 1.0 0.0 2.3 18 18 A 36 ILE H A 20 ALA O 1.0 0.0 2.5 19 19 A 22 PHE H A 34 CYS O 1.0 0.0 2.3 20 20 A 34 CYS H A 22 PHE O 1.0 0.0 3.3 21 21 A 24 VAL H A 32 ILE O 1.0 0.0 2.3 22 22 A 32 ILE H A 24 VAL O 1.0 0.0 2.3 23 23 A 26 LEU H A 30 HIS O 1.0 0.0 2.3 24 24 A 65 GLY H A 33 LEU O 1.0 0.0 3.3 25 25 A 67 ILE H A 35 HIS O 1.0 0.0 2.3 26 26 A 35 HIS H A 65 GLY O 1.0 0.0 2.3 27 27 A 56 GLU H A 66 ARG O 1.0 0.0 2.3 28 28 A 66 ARG H A 56 GLU O 1.0 0.0 2.3 29 29 A 58 SER H A 64 ARG O 1.0 0.0 2.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 5 ASP C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -196.2 -73.6 PHI 2 2 A 6 VAL C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -158.0 -94.0 PHI 3 3 A 7 ILE C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -132.6 -71.6 PHI 4 4 A 8 GLU C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -165.6 -93.0 PHI 5 5 A 9 LEU C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -181.1 -86.7 PHI 6 6 A 11 GLY C A 12 THR N A 12 THR CA A 12 THR C 1.0 -152.0 -68.0 PHI 7 7 A 12 THR C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -100.4 -60.4 PHI 8 8 A 13 VAL C A 14 SER N A 14 SER CA A 14 SER C 1.0 -122.5 -69.5 PHI 9 9 A 14 SER C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -175.7 -124.9 PHI 10 10 A 15 GLU C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -164.0 -64.0 PHI 11 11 A 16 ALA C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -122.0 -46.0 PHI 12 12 A 18 PRO C A 19 ASN N A 19 ASN CA A 19 ASN C 1.0 32.0 84.0 PHI 13 13 A 19 ASN C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 43.0 83.0 PHI 14 14 A 20 ALA C A 21 MET N A 21 MET CA A 21 MET C 1.0 -172.0 -68.0 PHI 15 15 A 21 MET C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -160.0 -104.0 PHI 16 16 A 22 PHE C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -146.5 -75.9 PHI 17 17 A 23 LYS C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -141.9 -94.7 PHI 18 18 A 24 VAL C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -126.0 -66.0 PHI 19 19 A 26 LEU C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -79.1 -39.1 PHI 20 20 A 27 GLU C A 28 ASN N A 28 ASN CA A 28 ASN C 1.0 -107.7 -63.3 PHI 21 21 A 28 ASN C A 29 GLY N A 29 GLY CA A 29 GLY C 1.0 68.9 108.9 PHI 22 22 A 30 HIS C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -138.0 -70.0 PHI 23 23 A 31 GLU C A 32 ILE N A 32 ILE CA A 32 ILE C 1.0 -154.0 -110.0 PHI 24 24 A 32 ILE C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -139.9 -69.9 PHI 25 25 A 33 LEU C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -169.9 -85.3 PHI 26 26 A 34 CYS C A 35 HIS N A 35 HIS CA A 35 HIS C 1.0 -174.0 -81.8 PHI 27 27 A 36 ILE C A 37 SER N A 37 SER CA A 37 SER C 1.0 -154.0 -26.0 PHI 28 28 A 37 SER C A 38 GLY N A 38 GLY CA A 38 GLY C 1.0 -80.0 -40.0 PHI 29 29 A 38 GLY C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -83.0 -43.0 PHI 30 30 A 39 LYS C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -85.0 -45.0 PHI 31 31 A 40 LEU C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -83.0 -43.0 PHI 32 32 A 41 ARG C A 42 MET N A 42 MET CA A 42 MET C 1.0 -90.0 -50.0 PHI 33 33 A 42 MET C A 43 ASN N A 43 ASN CA A 43 ASN C 1.0 -111.0 -51.0 PHI 34 34 A 45 ILE C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -150.0 -58.0 PHI 35 35 A 46 ARG C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -132.0 -72.0 PHI 36 36 A 47 ILE C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -174.0 -66.0 PHI 37 37 A 48 LEU C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -75.0 -35.0 PHI 38 38 A 49 GLU C A 50 GLY N A 50 GLY CA A 50 GLY C 1.0 73.0 113.0 PHI 39 39 A 51 ASP C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -120.0 -76.0 PHI 40 40 A 52 LYS C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -159.0 -119.0 PHI 41 41 A 53 VAL C A 54 ASN N A 54 ASN CA A 54 ASN C 1.0 -172.0 -92.0 PHI 42 42 A 54 ASN C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -146.0 -106.0 PHI 43 43 A 55 VAL C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -138.0 -90.0 PHI 44 44 A 56 GLU C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -174.0 -54.0 PHI 45 45 A 57 LEU C A 58 SER N A 58 SER CA A 58 SER C 1.0 -157.0 -33.0 PHI 46 46 A 58 SER C A 59 PRO N A 59 PRO CA A 59 PRO C 1.0 -84.0 -40.0 PHI 47 47 A 59 PRO C A 60 TYR N A 60 TYR CA A 60 TYR C 1.0 -127.0 -51.0 PHI 48 48 A 61 ASP C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -117.0 -41.0 PHI 49 49 A 62 LEU C A 63 THR N A 63 THR CA A 63 THR C 1.0 -143.0 -63.0 PHI 50 50 A 63 THR C A 64 ARG N A 64 ARG CA A 64 ARG C 1.0 -173.0 -81.0 PHI 51 51 A 65 GLY C A 66 ARG N A 66 ARG CA A 66 ARG C 1.0 -166.0 -98.0 PHI 52 52 A 66 ARG C A 67 ILE N A 67 ILE CA A 67 ILE C 1.0 -93.0 -53.0 PHI 53 53 A 67 ILE C A 68 THR N A 68 THR CA A 68 THR C 1.0 -126.0 -82.0 PHI 54 54 A 68 THR C A 69 TRP N A 69 TRP CA A 69 TRP C 1.0 -202.0 -98.0 PHI 55 55 A 69 TRP C A 70 ARG N A 70 ARG CA A 70 ARG C 1.0 -157.0 -69.0 PHI 56 56 A 70 ARG C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -156.0 -40.0 PHI 57 57 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 ILE N 1.0 127.4 181.6 PSI 58 58 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 GLU N 1.0 102.0 182.8 PSI 59 59 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 LEU N 1.0 103.9 161.5 PSI 60 60 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 GLU N 1.0 125.8 166.6 PSI 61 61 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 GLY N 1.0 105.3 182.1 PSI 62 62 A 12 THR N A 12 THR CA A 12 THR C A 13 VAL N 1.0 118.0 166.0 PSI 63 63 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 SER N 1.0 100.5 146.9 PSI 64 64 A 14 SER N A 14 SER CA A 14 SER C A 15 GLU N 1.0 -56.0 -16.0 PSI 65 65 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 ALA N 1.0 114.1 158.1 PSI 66 66 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 LEU N 1.0 63.0 187.0 PSI 67 67 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 PRO N 1.0 89.0 169.0 PSI 68 68 A 19 ASN N A 19 ASN CA A 19 ASN C A 20 ALA N 1.0 14.0 54.0 PSI 69 69 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 MET N 1.0 5.0 61.0 PSI 70 70 A 21 MET N A 21 MET CA A 21 MET C A 22 PHE N 1.0 136.0 188.0 PSI 71 71 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 LYS N 1.0 109.0 165.0 PSI 72 72 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 VAL N 1.0 101.7 144.5 PSI 73 73 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 LYS N 1.0 105.6 158.0 PSI 74 74 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 LEU N 1.0 98.0 146.0 PSI 75 75 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 ASN N 1.0 -50.7 -10.7 PSI 76 76 A 28 ASN N A 28 ASN CA A 28 ASN C A 29 GLY N 1.0 -16.7 23.3 PSI 77 77 A 29 GLY N A 29 GLY CA A 29 GLY C A 30 HIS N 1.0 -29.5 23.1 PSI 78 78 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 ILE N 1.0 108.0 160.0 PSI 79 79 A 32 ILE N A 32 ILE CA A 32 ILE C A 33 LEU N 1.0 117.0 177.0 PSI 80 80 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 CYS N 1.0 106.5 155.1 PSI 81 81 A 34 CYS N A 34 CYS CA A 34 CYS C A 35 HIS N 1.0 133.7 182.1 PSI 82 82 A 35 HIS N A 35 HIS CA A 35 HIS C A 36 ILE N 1.0 125.9 178.3 PSI 83 83 A 37 SER N A 37 SER CA A 37 SER C A 38 GLY N 1.0 89.0 197.0 PSI 84 84 A 38 GLY N A 38 GLY CA A 38 GLY C A 39 LYS N 1.0 -55.0 -7.0 PSI 85 85 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 LEU N 1.0 -61.0 -21.0 PSI 86 86 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 ARG N 1.0 -62.0 -22.0 PSI 87 87 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 MET N 1.0 -56.0 -12.0 PSI 88 88 A 42 MET N A 42 MET CA A 42 MET C A 43 ASN N 1.0 -59.0 1.0 PSI 89 89 A 43 ASN N A 43 ASN CA A 43 ASN C A 44 PHE N 1.0 -48.0 28.0 PSI 90 90 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 ILE N 1.0 75.0 175.0 PSI 91 91 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 LEU N 1.0 97.0 149.0 PSI 92 92 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 GLU N 1.0 136.0 188.0 PSI 93 93 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 GLY N 1.0 112.0 152.0 PSI 94 94 A 50 GLY N A 50 GLY CA A 50 GLY C A 51 ASP N 1.0 -34.0 6.0 PSI 95 95 A 52 LYS N A 52 LYS CA A 52 LYS C A 53 VAL N 1.0 87.0 179.0 PSI 96 96 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 ASN N 1.0 146.0 186.0 PSI 97 97 A 54 ASN N A 54 ASN CA A 54 ASN C A 55 VAL N 1.0 98.0 154.0 PSI 98 98 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 GLU N 1.0 102.0 174.0 PSI 99 99 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 LEU N 1.0 107.0 155.0 PSI 100 100 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 SER N 1.0 102.0 170.0 PSI 101 101 A 58 SER N A 58 SER CA A 58 SER C A 59 PRO N 1.0 75.0 183.0 PSI 102 102 A 59 PRO N A 59 PRO CA A 59 PRO C A 60 TYR N 1.0 -42.0 -2.0 PSI 103 103 A 60 TYR N A 60 TYR CA A 60 TYR C A 61 ASP N 1.0 -44.0 36.0 PSI 104 104 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 THR N 1.0 -73.0 39.0 PSI 105 105 A 63 THR N A 63 THR CA A 63 THR C A 64 ARG N 1.0 -51.0 33.0 PSI 106 106 A 64 ARG N A 64 ARG CA A 64 ARG C A 65 GLY N 1.0 122.0 182.0 PSI 107 107 A 66 ARG N A 66 ARG CA A 66 ARG C A 67 ILE N 1.0 126.0 170.0 PSI 108 108 A 67 ILE N A 67 ILE CA A 67 ILE C A 68 THR N 1.0 110.0 158.0 PSI 109 109 A 68 THR N A 68 THR CA A 68 THR C A 69 TRP N 1.0 -38.0 6.0 PSI 110 110 A 69 TRP N A 69 TRP CA A 69 TRP C A 70 ARG N 1.0 113.0 173.0 PSI 111 111 A 70 ARG N A 70 ARG CA A 70 ARG C A 71 LYS N 1.0 86.0 162.0 PSI 112 112 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 LYS N 1.0 112.0 164.0 PSI stop_ save_