data_nef_c15491_2jvw 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 MET start . . 2 A 2 ALA middle . . 3 A 3 LEU middle . . 4 A 4 ILE middle . . 5 A 5 MET middle . . 6 A 6 THR middle . . 7 A 7 GLN middle . . 8 A 8 GLN middle . . 9 A 9 ASN middle . . 10 A 10 ASN middle . . 11 A 11 PRO middle . false 12 A 12 LEU middle . . 13 A 13 HIS middle . . 14 A 14 GLY middle . false 15 A 15 ILE middle . . 16 A 16 THR middle . . 17 A 17 LEU middle . . 18 A 18 GLN middle . . 19 A 19 LYS middle . . 20 A 20 LEU middle . . 21 A 21 LEU middle . . 22 A 22 THR middle . . 23 A 23 GLU middle . . 24 A 24 LEU middle . . 25 A 25 VAL middle . . 26 A 26 GLU middle . . 27 A 27 HIS middle . . 28 A 28 TYR middle . . 29 A 29 GLY middle . false 30 A 30 TRP middle . . 31 A 31 GLU middle . . 32 A 32 GLU middle . . 33 A 33 LEU middle . . 34 A 34 SER middle . . 35 A 35 TYR middle . . 36 A 36 MET middle . . 37 A 37 VAL middle . . 38 A 38 ASN middle . . 39 A 39 ILE middle . . 40 A 40 ASN middle . . 41 A 41 CYS middle . . 42 A 42 PHE middle . . 43 A 43 LYS middle . . 44 A 44 LYS middle . . 45 A 45 ASP middle . . 46 A 46 PRO middle . false 47 A 47 SER middle . . 48 A 48 ILE middle . . 49 A 49 LYS middle . . 50 A 50 SER middle . . 51 A 51 SER middle . . 52 A 52 LEU middle . . 53 A 53 LYS middle . . 54 A 54 PHE middle . . 55 A 55 LEU middle . . 56 A 56 ARG middle . . 57 A 57 LYS middle . . 58 A 58 THR middle . . 59 A 59 ASP middle . . 60 A 60 TRP middle . . 61 A 61 ALA middle . . 62 A 62 ARG middle . . 63 A 63 GLU middle . . 64 A 64 ARG middle . . 65 A 65 VAL middle . . 66 A 66 GLU middle . . 67 A 67 ASN middle . . 68 A 68 ILE middle . . 69 A 69 TYR middle . . 70 A 70 LEU middle . . 71 A 71 LYS middle . . 72 A 72 LEU middle . . 73 A 73 GLN middle . . 74 A 74 ARG middle . . 75 A 75 HIS middle . . 76 A 76 LYS middle . . 77 A 77 GLU middle . . 78 A 78 ARG middle . . 79 A 79 ASN middle . . 80 A 80 GLN middle . . 81 A 81 LEU middle . . 82 A 82 GLU middle . . 83 A 83 HIS middle . . 84 A 84 HIS middle . . 85 A 85 HIS middle . . 86 A 86 HIS middle . . 87 A 87 HIS middle . . 88 A 88 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 2 ALA HA H 1 4.081 0.02 A 2 ALA HB% H 1 1.502 0.02 A 2 ALA C C 13 173.423 0.2 A 2 ALA CA C 13 51.798 0.2 A 2 ALA CB C 13 19.502 0.2 A 3 LEU H H 1 8.547 0.02 A 3 LEU HA H 1 4.394 0.02 A 3 LEU HBx H 1 1.581 0.02 A 3 LEU HBy H 1 1.581 0.02 A 3 LEU HD1% H 1 0.912 0.02 A 3 LEU HD2% H 1 0.879 0.02 A 3 LEU HG H 1 1.589 0.02 A 3 LEU C C 13 176.779 0.2 A 3 LEU CA C 13 55.226 0.2 A 3 LEU CB C 13 42.472 0.2 A 3 LEU CD1 C 13 24.733 0.2 A 3 LEU CD2 C 13 23.951 0.2 A 3 LEU CG C 13 27.130 0.2 A 3 LEU N N 15 122.089 0.2 A 4 ILE H H 1 8.319 0.02 A 4 ILE HA H 1 4.167 0.02 A 4 ILE HB H 1 1.835 0.02 A 4 ILE HD1% H 1 0.839 0.02 A 4 ILE HG1y H 1 1.482 0.02 A 4 ILE HG1x H 1 1.181 0.02 A 4 ILE HG2% H 1 0.883 0.02 A 4 ILE C C 13 176.138 0.2 A 4 ILE CA C 13 60.894 0.2 A 4 ILE CB C 13 38.595 0.2 A 4 ILE CD1 C 13 12.685 0.2 A 4 ILE CG1 C 13 27.284 0.2 A 4 ILE CG2 C 13 17.474 0.2 A 4 ILE N N 15 123.468 0.2 A 5 MET H H 1 8.574 0.02 A 5 MET HA H 1 4.584 0.02 A 5 MET HBy H 1 2.086 0.02 A 5 MET HBx H 1 2.006 0.02 A 5 MET HGy H 1 2.597 0.02 A 5 MET HGx H 1 2.511 0.02 A 5 MET C C 13 176.274 0.2 A 5 MET CA C 13 55.348 0.2 A 5 MET CB C 13 32.961 0.2 A 5 MET CG C 13 32.052 0.2 A 5 MET N N 15 125.527 0.2 A 6 THR H H 1 8.172 0.02 A 6 THR HA H 1 4.331 0.02 A 6 THR HB H 1 4.238 0.02 A 6 THR HG2% H 1 1.193 0.02 A 6 THR C C 13 174.578 0.2 A 6 THR CA C 13 61.849 0.2 A 6 THR CB C 13 69.904 0.2 A 6 THR CG2 C 13 21.732 0.2 A 6 THR N N 15 115.487 0.2 A 7 GLN H H 1 8.461 0.02 A 7 GLN HA H 1 4.317 0.02 A 7 GLN HBy H 1 2.104 0.02 A 7 GLN HBx H 1 1.988 0.02 A 7 GLN HE21 H 1 7.530 0.02 A 7 GLN HE22 H 1 6.864 0.02 A 7 GLN HGy H 1 2.354 0.02 A 7 GLN HGx H 1 2.352 0.02 A 7 GLN C C 13 176.108 0.2 A 7 GLN CA C 13 56.149 0.2 A 7 GLN CB C 13 29.491 0.2 A 7 GLN CD C 13 180.365 0.2 A 7 GLN CG C 13 33.834 0.2 A 7 GLN N N 15 122.199 0.2 A 7 GLN NE2 N 15 112.418 0.2 A 8 GLN H H 1 8.418 0.02 A 8 GLN HA H 1 4.219 0.02 A 8 GLN HBy H 1 2.057 0.02 A 8 GLN HBx H 1 1.947 0.02 A 8 GLN HE21 H 1 7.530 0.02 A 8 GLN HE22 H 1 6.864 0.02 A 8 GLN HGx H 1 2.348 0.02 A 8 GLN HGy H 1 2.348 0.02 A 8 GLN C C 13 175.704 0.2 A 8 GLN CA C 13 56.112 0.2 A 8 GLN CB C 13 29.435 0.2 A 8 GLN CD C 13 180.365 0.2 A 8 GLN CG C 13 33.815 0.2 A 8 GLN N N 15 121.100 0.2 A 8 GLN NE2 N 15 112.418 0.2 A 9 ASN H H 1 8.404 0.02 A 9 ASN HA H 1 4.654 0.02 A 9 ASN HBy H 1 2.786 0.02 A 9 ASN HBx H 1 2.738 0.02 A 9 ASN HD21 H 1 7.600 0.02 A 9 ASN HD22 H 1 6.904 0.02 A 9 ASN C C 13 174.445 0.2 A 9 ASN CA C 13 53.190 0.2 A 9 ASN CB C 13 38.913 0.2 A 9 ASN CG C 13 176.851 0.2 A 9 ASN N N 15 119.104 0.2 A 9 ASN ND2 N 15 112.703 0.2 A 10 ASN H H 1 8.306 0.02 A 10 ASN HA H 1 4.964 0.02 A 10 ASN HBy H 1 2.875 0.02 A 10 ASN HBx H 1 2.766 0.02 A 10 ASN HD21 H 1 7.690 0.02 A 10 ASN HD22 H 1 6.983 0.02 A 10 ASN C C 13 174.315 0.2 A 10 ASN CA C 13 51.318 0.2 A 10 ASN CB C 13 38.992 0.2 A 10 ASN CG C 13 177.227 0.2 A 10 ASN N N 15 119.847 0.2 A 10 ASN ND2 N 15 112.535 0.2 A 11 PRO HA H 1 4.427 0.02 A 11 PRO HBy H 1 2.362 0.02 A 11 PRO HBx H 1 1.897 0.02 A 11 PRO HDy H 1 3.822 0.02 A 11 PRO HDx H 1 3.802 0.02 A 11 PRO HGy H 1 2.057 0.02 A 11 PRO HGx H 1 1.933 0.02 A 11 PRO C C 13 177.095 0.2 A 11 PRO CA C 13 64.214 0.2 A 11 PRO CB C 13 32.355 0.2 A 11 PRO CD C 13 50.992 0.2 A 11 PRO CG C 13 27.346 0.2 A 12 LEU H H 1 8.102 0.02 A 12 LEU HA H 1 4.320 0.02 A 12 LEU HBy H 1 1.709 0.02 A 12 LEU HBx H 1 1.606 0.02 A 12 LEU HD1% H 1 0.884 0.02 A 12 LEU HD2% H 1 0.827 0.02 A 12 LEU HG H 1 1.604 0.02 A 12 LEU C C 13 177.341 0.2 A 12 LEU CA C 13 54.883 0.2 A 12 LEU CB C 13 41.300 0.2 A 12 LEU CD1 C 13 25.299 0.2 A 12 LEU CD2 C 13 23.497 0.2 A 12 LEU CG C 13 27.220 0.2 A 12 LEU N N 15 117.525 0.2 A 13 HIS H H 1 8.004 0.02 A 13 HIS HA H 1 4.453 0.02 A 13 HIS HBy H 1 3.321 0.02 A 13 HIS HBx H 1 3.292 0.02 A 13 HIS C C 13 175.375 0.2 A 13 HIS CA C 13 56.796 0.2 A 13 HIS CB C 13 28.248 0.2 A 13 HIS N N 15 117.833 0.2 A 14 GLY H H 1 8.530 0.02 A 14 GLY HAy H 1 3.930 0.02 A 14 GLY HAx H 1 3.755 0.02 A 14 GLY C C 13 173.536 0.2 A 14 GLY CA C 13 45.529 0.2 A 14 GLY N N 15 110.385 0.2 A 15 ILE H H 1 7.563 0.02 A 15 ILE HA H 1 4.392 0.02 A 15 ILE HB H 1 1.800 0.02 A 15 ILE HD1% H 1 0.703 0.02 A 15 ILE HG1y H 1 1.435 0.02 A 15 ILE HG1x H 1 1.260 0.02 A 15 ILE HG2% H 1 0.715 0.02 A 15 ILE C C 13 174.878 0.2 A 15 ILE CA C 13 60.102 0.2 A 15 ILE CB C 13 39.383 0.2 A 15 ILE CD1 C 13 13.115 0.2 A 15 ILE CG1 C 13 27.849 0.2 A 15 ILE CG2 C 13 16.667 0.2 A 15 ILE N N 15 120.363 0.2 A 16 THR H H 1 7.643 0.02 A 16 THR HA H 1 4.381 0.02 A 16 THR HB H 1 4.706 0.02 A 16 THR HG2% H 1 1.301 0.02 A 16 THR C C 13 174.950 0.2 A 16 THR CA C 13 60.355 0.2 A 16 THR CB C 13 70.834 0.2 A 16 THR CG2 C 13 22.021 0.2 A 16 THR N N 15 115.980 0.2 A 17 LEU H H 1 8.712 0.02 A 17 LEU HA H 1 4.029 0.02 A 17 LEU HBy H 1 1.727 0.02 A 17 LEU HBx H 1 1.616 0.02 A 17 LEU HD1% H 1 0.927 0.02 A 17 LEU HD2% H 1 0.841 0.02 A 17 LEU HG H 1 1.567 0.02 A 17 LEU C C 13 178.125 0.2 A 17 LEU CA C 13 57.582 0.2 A 17 LEU CB C 13 40.906 0.2 A 17 LEU CD1 C 13 22.543 0.2 A 17 LEU CD2 C 13 25.817 0.2 A 17 LEU CG C 13 26.805 0.2 A 17 LEU N N 15 123.337 0.2 A 18 GLN H H 1 8.611 0.02 A 18 GLN HA H 1 3.774 0.02 A 18 GLN HBy H 1 2.147 0.02 A 18 GLN HBx H 1 1.903 0.02 A 18 GLN HE21 H 1 7.479 0.02 A 18 GLN HE22 H 1 6.867 0.02 A 18 GLN HGy H 1 2.298 0.02 A 18 GLN HGx H 1 2.136 0.02 A 18 GLN C C 13 178.211 0.2 A 18 GLN CA C 13 60.388 0.2 A 18 GLN CB C 13 27.809 0.2 A 18 GLN CD C 13 178.977 0.2 A 18 GLN CG C 13 33.229 0.2 A 18 GLN N N 15 116.423 0.2 A 18 GLN NE2 N 15 111.206 0.2 A 19 LYS H H 1 7.861 0.02 A 19 LYS HA H 1 3.957 0.02 A 19 LYS HBy H 1 1.885 0.02 A 19 LYS HBx H 1 1.791 0.02 A 19 LYS HDy H 1 1.768 0.02 A 19 LYS HDx H 1 1.679 0.02 A 19 LYS HEx H 1 2.994 0.02 A 19 LYS HEy H 1 2.994 0.02 A 19 LYS HGy H 1 1.442 0.02 A 19 LYS HGx H 1 1.391 0.02 A 19 LYS C C 13 177.806 0.2 A 19 LYS CA C 13 59.684 0.2 A 19 LYS CB C 13 32.300 0.2 A 19 LYS CD C 13 29.180 0.2 A 19 LYS CE C 13 42.312 0.2 A 19 LYS CG C 13 25.127 0.2 A 19 LYS N N 15 123.583 0.2 A 20 LEU H H 1 8.223 0.02 A 20 LEU HA H 1 3.418 0.02 A 20 LEU HBy H 1 1.350 0.02 A 20 LEU HBx H 1 1.027 0.02 A 20 LEU HD1% H 1 0.532 0.02 A 20 LEU HD2% H 1 0.584 0.02 A 20 LEU HG H 1 1.283 0.02 A 20 LEU C C 13 178.417 0.2 A 20 LEU CA C 13 59.301 0.2 A 20 LEU CB C 13 41.370 0.2 A 20 LEU CD1 C 13 27.719 0.2 A 20 LEU CD2 C 13 26.033 0.2 A 20 LEU CG C 13 26.297 0.2 A 20 LEU N N 15 121.397 0.2 A 21 LEU H H 1 8.649 0.02 A 21 LEU HA H 1 3.872 0.02 A 21 LEU HBy H 1 1.815 0.02 A 21 LEU HBx H 1 1.383 0.02 A 21 LEU HD1% H 1 0.928 0.02 A 21 LEU HD2% H 1 1.103 0.02 A 21 LEU HG H 1 1.586 0.02 A 21 LEU C C 13 178.009 0.2 A 21 LEU CA C 13 58.027 0.2 A 21 LEU CB C 13 42.279 0.2 A 21 LEU CD1 C 13 23.634 0.2 A 21 LEU CD2 C 13 27.357 0.2 A 21 LEU CG C 13 26.825 0.2 A 21 LEU N N 15 118.999 0.2 A 22 THR H H 1 8.025 0.02 A 22 THR HA H 1 3.592 0.02 A 22 THR HB H 1 4.350 0.02 A 22 THR HG2% H 1 1.205 0.02 A 22 THR C C 13 176.358 0.2 A 22 THR CA C 13 67.879 0.2 A 22 THR CB C 13 68.717 0.2 A 22 THR CG2 C 13 20.980 0.2 A 22 THR N N 15 115.015 0.2 A 23 GLU H H 1 8.158 0.02 A 23 GLU HA H 1 4.068 0.02 A 23 GLU HBy H 1 2.315 0.02 A 23 GLU HBx H 1 2.153 0.02 A 23 GLU HGy H 1 2.583 0.02 A 23 GLU HGx H 1 2.299 0.02 A 23 GLU C C 13 180.091 0.2 A 23 GLU CA C 13 59.845 0.2 A 23 GLU CB C 13 29.101 0.2 A 23 GLU CG C 13 36.108 0.2 A 23 GLU N N 15 120.691 0.2 A 24 LEU H H 1 8.121 0.02 A 24 LEU HA H 1 4.140 0.02 A 24 LEU HBy H 1 2.233 0.02 A 24 LEU HBx H 1 1.469 0.02 A 24 LEU HD1% H 1 1.017 0.02 A 24 LEU HD2% H 1 1.063 0.02 A 24 LEU HG H 1 2.294 0.02 A 24 LEU C C 13 179.047 0.2 A 24 LEU CA C 13 58.438 0.2 A 24 LEU CB C 13 42.715 0.2 A 24 LEU CD1 C 13 27.286 0.2 A 24 LEU CD2 C 13 24.121 0.2 A 24 LEU CG C 13 26.224 0.2 A 24 LEU N N 15 119.210 0.2 A 25 VAL H H 1 8.577 0.02 A 25 VAL HA H 1 2.698 0.02 A 25 VAL HB H 1 1.576 0.02 A 25 VAL HG1% H 1 -0.050 0.02 A 25 VAL HG2% H 1 -0.429 0.02 A 25 VAL C C 13 179.143 0.2 A 25 VAL CA C 13 67.077 0.2 A 25 VAL CB C 13 31.127 0.2 A 25 VAL CG1 C 13 19.761 0.2 A 25 VAL CG2 C 13 21.549 0.2 A 25 VAL N N 15 122.036 0.2 A 26 GLU H H 1 8.216 0.02 A 26 GLU HA H 1 3.858 0.02 A 26 GLU HBy H 1 2.086 0.02 A 26 GLU HBx H 1 2.000 0.02 A 26 GLU HGy H 1 2.445 0.02 A 26 GLU HGx H 1 2.241 0.02 A 26 GLU C C 13 177.409 0.2 A 26 GLU CA C 13 59.105 0.2 A 26 GLU CB C 13 29.025 0.2 A 26 GLU CG C 13 35.629 0.2 A 26 GLU N N 15 119.262 0.2 A 27 HIS H H 1 7.815 0.02 A 27 HIS HA H 1 4.183 0.02 A 27 HIS HBy H 1 3.108 0.02 A 27 HIS HBx H 1 2.658 0.02 A 27 HIS C C 13 175.618 0.2 A 27 HIS CA C 13 58.932 0.2 A 27 HIS CB C 13 29.358 0.2 A 27 HIS N N 15 114.100 0.2 A 28 TYR H H 1 8.628 0.02 A 28 TYR HA H 1 4.424 0.02 A 28 TYR HBy H 1 3.032 0.02 A 28 TYR HBx H 1 2.763 0.02 A 28 TYR HD1 H 1 7.289 0.02 A 28 TYR HD2 H 1 7.289 0.02 A 28 TYR HE1 H 1 6.762 0.02 A 28 TYR HE2 H 1 6.762 0.02 A 28 TYR C C 13 177.445 0.2 A 28 TYR CA C 13 60.294 0.2 A 28 TYR CB C 13 40.851 0.2 A 28 TYR CD1 C 13 133.125 0.2 A 28 TYR CD2 C 13 133.125 0.2 A 28 TYR CE1 C 13 118.410 0.2 A 28 TYR CE2 C 13 118.426 0.2 A 28 TYR N N 15 113.706 0.2 A 29 GLY H H 1 7.713 0.02 A 29 GLY HAy H 1 4.366 0.02 A 29 GLY HAx H 1 3.846 0.02 A 29 GLY C C 13 172.549 0.2 A 29 GLY CA C 13 44.258 0.2 A 29 GLY N N 15 107.840 0.2 A 30 TRP H H 1 7.960 0.02 A 30 TRP HA H 1 4.136 0.02 A 30 TRP HBy H 1 3.427 0.02 A 30 TRP HBx H 1 2.980 0.02 A 30 TRP HD1 H 1 7.315 0.02 A 30 TRP HE1 H 1 10.013 0.02 A 30 TRP HE3 H 1 7.053 0.02 A 30 TRP HH2 H 1 6.582 0.02 A 30 TRP HZ2 H 1 7.212 0.02 A 30 TRP HZ3 H 1 6.793 0.02 A 30 TRP C C 13 178.090 0.2 A 30 TRP CA C 13 60.502 0.2 A 30 TRP CB C 13 30.304 0.2 A 30 TRP CD1 C 13 128.033 0.2 A 30 TRP CE3 C 13 119.895 0.2 A 30 TRP CH2 C 13 123.758 0.2 A 30 TRP CZ2 C 13 113.537 0.2 A 30 TRP CZ3 C 13 122.138 0.2 A 30 TRP N N 15 118.175 0.2 A 30 TRP NE1 N 15 128.490 0.2 A 31 GLU H H 1 8.549 0.02 A 31 GLU HA H 1 3.992 0.02 A 31 GLU HBy H 1 2.148 0.02 A 31 GLU HBx H 1 2.035 0.02 A 31 GLU HGy H 1 2.361 0.02 A 31 GLU HGx H 1 2.300 0.02 A 31 GLU C C 13 179.942 0.2 A 31 GLU CA C 13 60.090 0.2 A 31 GLU CB C 13 28.474 0.2 A 31 GLU CG C 13 35.859 0.2 A 31 GLU N N 15 118.099 0.2 A 32 GLU H H 1 8.962 0.02 A 32 GLU HA H 1 4.137 0.02 A 32 GLU HBy H 1 2.206 0.02 A 32 GLU HBx H 1 2.044 0.02 A 32 GLU HGy H 1 2.545 0.02 A 32 GLU HGx H 1 2.499 0.02 A 32 GLU C C 13 179.651 0.2 A 32 GLU CA C 13 58.745 0.2 A 32 GLU CB C 13 28.145 0.2 A 32 GLU CG C 13 34.631 0.2 A 32 GLU N N 15 120.094 0.2 A 33 LEU H H 1 7.748 0.02 A 33 LEU HA H 1 3.922 0.02 A 33 LEU HBy H 1 1.489 0.02 A 33 LEU HBx H 1 1.249 0.02 A 33 LEU HD1% H 1 0.358 0.02 A 33 LEU HD2% H 1 0.450 0.02 A 33 LEU HG H 1 1.503 0.02 A 33 LEU C C 13 178.833 0.2 A 33 LEU CA C 13 58.577 0.2 A 33 LEU CB C 13 41.269 0.2 A 33 LEU CD1 C 13 24.965 0.2 A 33 LEU CD2 C 13 24.446 0.2 A 33 LEU CG C 13 26.866 0.2 A 33 LEU N N 15 118.890 0.2 A 34 SER H H 1 8.607 0.02 A 34 SER HA H 1 4.642 0.02 A 34 SER HBy H 1 4.147 0.02 A 34 SER HBx H 1 3.935 0.02 A 34 SER C C 13 175.346 0.2 A 34 SER CA C 13 61.247 0.2 A 34 SER CB C 13 63.043 0.2 A 34 SER N N 15 114.464 0.2 A 35 TYR H H 1 7.395 0.02 A 35 TYR HA H 1 4.537 0.02 A 35 TYR HBy H 1 3.209 0.02 A 35 TYR HBx H 1 3.145 0.02 A 35 TYR HD1 H 1 7.125 0.02 A 35 TYR HD2 H 1 7.125 0.02 A 35 TYR HE1 H 1 6.770 0.02 A 35 TYR HE2 H 1 6.770 0.02 A 35 TYR C C 13 177.940 0.2 A 35 TYR CA C 13 58.907 0.2 A 35 TYR CB C 13 37.852 0.2 A 35 TYR CD1 C 13 132.851 0.2 A 35 TYR CD2 C 13 132.851 0.2 A 35 TYR CE1 C 13 118.212 0.2 A 35 TYR CE2 C 13 118.212 0.2 A 35 TYR N N 15 120.804 0.2 A 36 MET H H 1 7.840 0.02 A 36 MET HA H 1 4.158 0.02 A 36 MET HBy H 1 2.177 0.02 A 36 MET HBx H 1 2.070 0.02 A 36 MET HE% H 1 1.478 0.02 A 36 MET HGy H 1 2.810 0.02 A 36 MET HGx H 1 2.440 0.02 A 36 MET C C 13 177.049 0.2 A 36 MET CA C 13 58.684 0.2 A 36 MET CB C 13 34.927 0.2 A 36 MET CE C 13 16.613 0.2 A 36 MET CG C 13 32.481 0.2 A 36 MET N N 15 118.425 0.2 A 37 VAL H H 1 8.469 0.02 A 37 VAL HA H 1 4.265 0.02 A 37 VAL HB H 1 2.380 0.02 A 37 VAL HG1% H 1 0.865 0.02 A 37 VAL HG2% H 1 0.939 0.02 A 37 VAL C C 13 173.959 0.2 A 37 VAL CA C 13 61.621 0.2 A 37 VAL CB C 13 32.527 0.2 A 37 VAL CG1 C 13 21.873 0.2 A 37 VAL CG2 C 13 21.286 0.2 A 37 VAL N N 15 117.997 0.2 A 38 ASN H H 1 8.677 0.02 A 38 ASN HA H 1 4.948 0.02 A 38 ASN HBy H 1 3.072 0.02 A 38 ASN HBx H 1 2.714 0.02 A 38 ASN HD21 H 1 7.547 0.02 A 38 ASN HD22 H 1 6.828 0.02 A 38 ASN C C 13 174.710 0.2 A 38 ASN CA C 13 53.444 0.2 A 38 ASN CB C 13 37.001 0.2 A 38 ASN CG C 13 177.822 0.2 A 38 ASN N N 15 123.121 0.2 A 38 ASN ND2 N 15 111.035 0.2 A 39 ILE H H 1 7.744 0.02 A 39 ILE HA H 1 4.655 0.02 A 39 ILE HB H 1 1.335 0.02 A 39 ILE HD1% H 1 -0.118 0.02 A 39 ILE HG1y H 1 0.789 0.02 A 39 ILE HG1x H 1 0.596 0.02 A 39 ILE HG2% H 1 0.770 0.02 A 39 ILE C C 13 176.996 0.2 A 39 ILE CA C 13 59.201 0.2 A 39 ILE CB C 13 40.558 0.2 A 39 ILE CD1 C 13 13.775 0.2 A 39 ILE CG1 C 13 24.728 0.2 A 39 ILE CG2 C 13 19.087 0.2 A 39 ILE N N 15 115.722 0.2 A 40 ASN H H 1 8.881 0.02 A 40 ASN HA H 1 4.192 0.02 A 40 ASN HBy H 1 2.665 0.02 A 40 ASN HBx H 1 2.590 0.02 A 40 ASN HD21 H 1 7.613 0.02 A 40 ASN HD22 H 1 6.927 0.02 A 40 ASN C C 13 177.705 0.2 A 40 ASN CA C 13 56.883 0.2 A 40 ASN CB C 13 38.313 0.2 A 40 ASN CG C 13 175.764 0.2 A 40 ASN N N 15 124.600 0.2 A 40 ASN ND2 N 15 112.872 0.2 A 41 CYS H H 1 8.034 0.02 A 41 CYS HA H 1 4.373 0.02 A 41 CYS HBy H 1 3.064 0.02 A 41 CYS HBx H 1 2.402 0.02 A 41 CYS C C 13 174.303 0.2 A 41 CYS CA C 13 59.164 0.2 A 41 CYS CB C 13 26.126 0.2 A 41 CYS N N 15 115.097 0.2 A 42 PHE H H 1 7.031 0.02 A 42 PHE HA H 1 4.937 0.02 A 42 PHE HBy H 1 3.587 0.02 A 42 PHE HBx H 1 3.146 0.02 A 42 PHE HD1 H 1 7.401 0.02 A 42 PHE HD2 H 1 7.401 0.02 A 42 PHE HE1 H 1 7.202 0.02 A 42 PHE HE2 H 1 7.202 0.02 A 42 PHE HZ H 1 7.000 0.02 A 42 PHE C C 13 174.437 0.2 A 42 PHE CA C 13 54.439 0.2 A 42 PHE CB C 13 38.059 0.2 A 42 PHE CD1 C 13 131.037 0.2 A 42 PHE CD2 C 13 131.037 0.2 A 42 PHE CE1 C 13 130.957 0.2 A 42 PHE CE2 C 13 130.957 0.2 A 42 PHE CZ C 13 127.988 0.2 A 42 PHE N N 15 117.304 0.2 A 43 LYS H H 1 7.371 0.02 A 43 LYS HA H 1 4.304 0.02 A 43 LYS HBy H 1 1.843 0.02 A 43 LYS HBx H 1 1.780 0.02 A 43 LYS HDx H 1 1.660 0.02 A 43 LYS HDy H 1 1.660 0.02 A 43 LYS HEy H 1 2.899 0.02 A 43 LYS HEx H 1 2.858 0.02 A 43 LYS HGy H 1 1.532 0.02 A 43 LYS HGx H 1 1.408 0.02 A 43 LYS C C 13 175.800 0.2 A 43 LYS CA C 13 57.474 0.2 A 43 LYS CB C 13 34.978 0.2 A 43 LYS CD C 13 29.329 0.2 A 43 LYS CE C 13 42.162 0.2 A 43 LYS CG C 13 25.154 0.2 A 43 LYS N N 15 116.029 0.2 A 44 LYS H H 1 7.593 0.02 A 44 LYS HA H 1 4.302 0.02 A 44 LYS HBy H 1 1.629 0.02 A 44 LYS HBx H 1 1.517 0.02 A 44 LYS HDy H 1 1.580 0.02 A 44 LYS HDx H 1 1.567 0.02 A 44 LYS HEx H 1 2.909 0.02 A 44 LYS HEy H 1 2.909 0.02 A 44 LYS HGy H 1 1.247 0.02 A 44 LYS HGx H 1 1.226 0.02 A 44 LYS C C 13 173.608 0.2 A 44 LYS CA C 13 55.169 0.2 A 44 LYS CB C 13 33.123 0.2 A 44 LYS CD C 13 28.834 0.2 A 44 LYS CE C 13 42.164 0.2 A 44 LYS CG C 13 24.662 0.2 A 44 LYS N N 15 119.851 0.2 A 45 ASP H H 1 8.774 0.02 A 45 ASP HA H 1 4.200 0.02 A 45 ASP HBy H 1 2.672 0.02 A 45 ASP HBx H 1 2.450 0.02 A 45 ASP C C 13 172.128 0.2 A 45 ASP CA C 13 53.963 0.2 A 45 ASP CB C 13 40.263 0.2 A 45 ASP N N 15 122.276 0.2 A 46 PRO HA H 1 3.930 0.02 A 46 PRO HBy H 1 1.097 0.02 A 46 PRO HBx H 1 -0.583 0.02 A 46 PRO HDy H 1 3.163 0.02 A 46 PRO HDx H 1 2.877 0.02 A 46 PRO HGy H 1 1.072 0.02 A 46 PRO HGx H 1 0.854 0.02 A 46 PRO C C 13 176.968 0.2 A 46 PRO CA C 13 62.964 0.2 A 46 PRO CB C 13 30.892 0.2 A 46 PRO CD C 13 50.513 0.2 A 46 PRO CG C 13 27.129 0.2 A 47 SER H H 1 8.018 0.02 A 47 SER HA H 1 4.676 0.02 A 47 SER HBy H 1 4.156 0.02 A 47 SER HBx H 1 3.926 0.02 A 47 SER C C 13 175.465 0.2 A 47 SER CA C 13 57.014 0.2 A 47 SER CB C 13 66.436 0.2 A 47 SER N N 15 112.273 0.2 A 48 ILE H H 1 9.489 0.02 A 48 ILE HA H 1 4.013 0.02 A 48 ILE HB H 1 2.276 0.02 A 48 ILE HD1% H 1 0.878 0.02 A 48 ILE HG1y H 1 1.892 0.02 A 48 ILE HG1x H 1 1.685 0.02 A 48 ILE HG2% H 1 0.966 0.02 A 48 ILE C C 13 177.681 0.2 A 48 ILE CA C 13 64.456 0.2 A 48 ILE CB C 13 36.382 0.2 A 48 ILE CD1 C 13 10.799 0.2 A 48 ILE CG1 C 13 28.117 0.2 A 48 ILE CG2 C 13 16.895 0.2 A 48 ILE N N 15 126.826 0.2 A 49 LYS H H 1 8.735 0.02 A 49 LYS HA H 1 3.984 0.02 A 49 LYS HBy H 1 1.936 0.02 A 49 LYS HBx H 1 1.798 0.02 A 49 LYS HDx H 1 1.720 0.02 A 49 LYS HDy H 1 1.721 0.02 A 49 LYS HEx H 1 3.011 0.02 A 49 LYS HEy H 1 3.011 0.02 A 49 LYS HGy H 1 1.572 0.02 A 49 LYS HGx H 1 1.402 0.02 A 49 LYS C C 13 179.784 0.2 A 49 LYS CA C 13 60.562 0.2 A 49 LYS CB C 13 32.533 0.2 A 49 LYS CD C 13 29.491 0.2 A 49 LYS CE C 13 42.119 0.2 A 49 LYS CG C 13 25.149 0.2 A 49 LYS N N 15 118.592 0.2 A 50 SER H H 1 8.065 0.02 A 50 SER HA H 1 4.270 0.02 A 50 SER HBy H 1 3.979 0.02 A 50 SER HBx H 1 3.903 0.02 A 50 SER C C 13 178.135 0.2 A 50 SER CA C 13 61.431 0.2 A 50 SER CB C 13 62.672 0.2 A 50 SER N N 15 114.354 0.2 A 51 SER H H 1 8.300 0.02 A 51 SER HA H 1 4.681 0.02 A 51 SER HBy H 1 4.459 0.02 A 51 SER HBx H 1 3.880 0.02 A 51 SER C C 13 176.245 0.2 A 51 SER CA C 13 63.327 0.2 A 51 SER CB C 13 64.340 0.2 A 51 SER N N 15 120.855 0.2 A 52 LEU H H 1 8.849 0.02 A 52 LEU HA H 1 3.902 0.02 A 52 LEU HBy H 1 1.928 0.02 A 52 LEU HBx H 1 1.510 0.02 A 52 LEU HD1% H 1 0.859 0.02 A 52 LEU HD2% H 1 0.771 0.02 A 52 LEU HG H 1 1.931 0.02 A 52 LEU C C 13 178.339 0.2 A 52 LEU CA C 13 58.600 0.2 A 52 LEU CB C 13 41.685 0.2 A 52 LEU CD1 C 13 25.861 0.2 A 52 LEU CD2 C 13 23.558 0.2 A 52 LEU CG C 13 26.393 0.2 A 52 LEU N N 15 122.627 0.2 A 53 LYS H H 1 7.268 0.02 A 53 LYS HA H 1 3.957 0.02 A 53 LYS HBy H 1 1.954 0.02 A 53 LYS HBx H 1 1.950 0.02 A 53 LYS HDx H 1 1.736 0.02 A 53 LYS HDy H 1 1.736 0.02 A 53 LYS HEx H 1 2.995 0.02 A 53 LYS HEy H 1 2.995 0.02 A 53 LYS HGy H 1 1.621 0.02 A 53 LYS HGx H 1 1.428 0.02 A 53 LYS C C 13 178.750 0.2 A 53 LYS CA C 13 59.867 0.2 A 53 LYS CB C 13 32.475 0.2 A 53 LYS CD C 13 29.595 0.2 A 53 LYS CE C 13 42.109 0.2 A 53 LYS CG C 13 25.150 0.2 A 53 LYS N N 15 117.100 0.2 A 54 PHE H H 1 7.388 0.02 A 54 PHE HA H 1 4.167 0.02 A 54 PHE HBy H 1 3.268 0.02 A 54 PHE HBx H 1 3.152 0.02 A 54 PHE HD1 H 1 7.015 0.02 A 54 PHE HD2 H 1 7.015 0.02 A 54 PHE HE1 H 1 7.056 0.02 A 54 PHE HE2 H 1 7.056 0.02 A 54 PHE HZ H 1 7.343 0.02 A 54 PHE C C 13 178.975 0.2 A 54 PHE CA C 13 61.515 0.2 A 54 PHE CB C 13 39.619 0.2 A 54 PHE CD1 C 13 131.919 0.2 A 54 PHE CD2 C 13 131.919 0.2 A 54 PHE CE1 C 13 131.528 0.2 A 54 PHE CE2 C 13 131.528 0.2 A 54 PHE CZ C 13 130.511 0.2 A 54 PHE N N 15 117.704 0.2 A 55 LEU H H 1 9.142 0.02 A 55 LEU HA H 1 3.720 0.02 A 55 LEU HBy H 1 1.990 0.02 A 55 LEU HBx H 1 1.074 0.02 A 55 LEU HD1% H 1 0.989 0.02 A 55 LEU HD2% H 1 0.611 0.02 A 55 LEU HG H 1 2.161 0.02 A 55 LEU C C 13 178.763 0.2 A 55 LEU CA C 13 57.656 0.2 A 55 LEU CB C 13 42.837 0.2 A 55 LEU CD1 C 13 27.046 0.2 A 55 LEU CD2 C 13 22.501 0.2 A 55 LEU CG C 13 26.826 0.2 A 55 LEU N N 15 120.396 0.2 A 56 ARG H H 1 8.338 0.02 A 56 ARG HA H 1 3.855 0.02 A 56 ARG HBx H 1 1.839 0.02 A 56 ARG HBy H 1 1.839 0.02 A 56 ARG HDy H 1 3.144 0.02 A 56 ARG HDx H 1 3.129 0.02 A 56 ARG HE H 1 7.332 0.02 A 56 ARG HGy H 1 1.817 0.02 A 56 ARG HGx H 1 1.630 0.02 A 56 ARG C C 13 176.697 0.2 A 56 ARG CA C 13 59.452 0.2 A 56 ARG CB C 13 30.239 0.2 A 56 ARG CD C 13 43.624 0.2 A 56 ARG CG C 13 28.794 0.2 A 56 ARG N N 15 116.866 0.2 A 56 ARG NE N 15 85.431 0.2 A 57 LYS H H 1 6.770 0.02 A 57 LYS HA H 1 4.542 0.02 A 57 LYS HBy H 1 1.797 0.02 A 57 LYS HBx H 1 1.737 0.02 A 57 LYS HDx H 1 1.633 0.02 A 57 LYS HDy H 1 1.634 0.02 A 57 LYS HEx H 1 2.949 0.02 A 57 LYS HEy H 1 2.949 0.02 A 57 LYS HGy H 1 1.489 0.02 A 57 LYS HGx H 1 1.299 0.02 A 57 LYS C C 13 176.148 0.2 A 57 LYS CA C 13 55.545 0.2 A 57 LYS CB C 13 33.805 0.2 A 57 LYS CD C 13 29.226 0.2 A 57 LYS CE C 13 42.135 0.2 A 57 LYS CG C 13 24.157 0.2 A 57 LYS N N 15 113.205 0.2 A 58 THR H H 1 6.908 0.02 A 58 THR HA H 1 4.212 0.02 A 58 THR HB H 1 3.053 0.02 A 58 THR HG2% H 1 0.507 0.02 A 58 THR C C 13 173.643 0.2 A 58 THR CA C 13 60.688 0.2 A 58 THR CB C 13 67.557 0.2 A 58 THR CG2 C 13 21.687 0.2 A 58 THR N N 15 117.915 0.2 A 59 ASP H H 1 8.789 0.02 A 59 ASP HA H 1 4.128 0.02 A 59 ASP HBy H 1 2.789 0.02 A 59 ASP HBx H 1 2.723 0.02 A 59 ASP C C 13 178.565 0.2 A 59 ASP CA C 13 58.506 0.2 A 59 ASP CB C 13 39.530 0.2 A 59 ASP N N 15 128.511 0.2 A 60 TRP H H 1 8.638 0.02 A 60 TRP HA H 1 4.375 0.02 A 60 TRP HBy H 1 3.478 0.02 A 60 TRP HBx H 1 3.296 0.02 A 60 TRP HD1 H 1 7.559 0.02 A 60 TRP HE1 H 1 10.477 0.02 A 60 TRP HE3 H 1 7.254 0.02 A 60 TRP HH2 H 1 7.174 0.02 A 60 TRP HZ2 H 1 7.610 0.02 A 60 TRP HZ3 H 1 6.994 0.02 A 60 TRP C C 13 178.277 0.2 A 60 TRP CA C 13 59.183 0.2 A 60 TRP CB C 13 26.962 0.2 A 60 TRP CD1 C 13 128.285 0.2 A 60 TRP CE3 C 13 120.196 0.2 A 60 TRP CH2 C 13 125.054 0.2 A 60 TRP CZ2 C 13 114.828 0.2 A 60 TRP CZ3 C 13 121.288 0.2 A 60 TRP N N 15 117.515 0.2 A 60 TRP NE1 N 15 131.294 0.2 A 61 ALA H H 1 5.533 0.02 A 61 ALA HA H 1 3.414 0.02 A 61 ALA HB% H 1 0.262 0.02 A 61 ALA C C 13 177.616 0.2 A 61 ALA CA C 13 54.478 0.2 A 61 ALA CB C 13 17.904 0.2 A 61 ALA N N 15 125.465 0.2 A 62 ARG H H 1 7.811 0.02 A 62 ARG HA H 1 3.617 0.02 A 62 ARG HBy H 1 2.122 0.02 A 62 ARG HBx H 1 1.868 0.02 A 62 ARG HDy H 1 3.250 0.02 A 62 ARG HDx H 1 2.983 0.02 A 62 ARG HE H 1 7.568 0.02 A 62 ARG HGy H 1 1.471 0.02 A 62 ARG HGx H 1 1.314 0.02 A 62 ARG C C 13 177.918 0.2 A 62 ARG CA C 13 60.708 0.2 A 62 ARG CB C 13 29.156 0.2 A 62 ARG CD C 13 43.011 0.2 A 62 ARG CG C 13 28.615 0.2 A 62 ARG N N 15 120.420 0.2 A 62 ARG NE N 15 84.157 0.2 A 63 GLU H H 1 8.412 0.02 A 63 GLU HA H 1 4.041 0.02 A 63 GLU HBx H 1 2.142 0.02 A 63 GLU HBy H 1 2.142 0.02 A 63 GLU HGy H 1 2.499 0.02 A 63 GLU HGx H 1 2.362 0.02 A 63 GLU C C 13 178.935 0.2 A 63 GLU CA C 13 59.509 0.2 A 63 GLU CB C 13 28.759 0.2 A 63 GLU CG C 13 35.458 0.2 A 63 GLU N N 15 117.144 0.2 A 64 ARG H H 1 7.603 0.02 A 64 ARG HA H 1 4.256 0.02 A 64 ARG HBy H 1 2.211 0.02 A 64 ARG HBx H 1 2.021 0.02 A 64 ARG HDx H 1 3.479 0.02 A 64 ARG HDy H 1 3.479 0.02 A 64 ARG HE H 1 7.573 0.02 A 64 ARG HGy H 1 2.073 0.02 A 64 ARG HGx H 1 2.034 0.02 A 64 ARG C C 13 179.133 0.2 A 64 ARG CA C 13 59.340 0.2 A 64 ARG CB C 13 30.067 0.2 A 64 ARG CD C 13 43.343 0.2 A 64 ARG CG C 13 27.420 0.2 A 64 ARG N N 15 118.298 0.2 A 64 ARG NE N 15 84.020 0.2 A 65 VAL H H 1 8.065 0.02 A 65 VAL HA H 1 3.713 0.02 A 65 VAL HB H 1 2.255 0.02 A 65 VAL HG1% H 1 0.951 0.02 A 65 VAL HG2% H 1 1.205 0.02 A 65 VAL C C 13 177.638 0.2 A 65 VAL CA C 13 66.891 0.2 A 65 VAL CB C 13 31.480 0.2 A 65 VAL CG1 C 13 21.925 0.2 A 65 VAL CG2 C 13 23.844 0.2 A 65 VAL N N 15 117.270 0.2 A 66 GLU H H 1 8.583 0.02 A 66 GLU HA H 1 3.912 0.02 A 66 GLU HBy H 1 2.333 0.02 A 66 GLU HBx H 1 1.976 0.02 A 66 GLU HGy H 1 2.602 0.02 A 66 GLU HGx H 1 2.097 0.02 A 66 GLU C C 13 178.380 0.2 A 66 GLU CA C 13 60.256 0.2 A 66 GLU CB C 13 28.691 0.2 A 66 GLU CG C 13 35.936 0.2 A 66 GLU N N 15 119.924 0.2 A 67 ASN H H 1 8.267 0.02 A 67 ASN HA H 1 4.567 0.02 A 67 ASN HBy H 1 3.068 0.02 A 67 ASN HBx H 1 2.875 0.02 A 67 ASN HD21 H 1 7.668 0.02 A 67 ASN HD22 H 1 7.065 0.02 A 67 ASN C C 13 178.338 0.2 A 67 ASN CA C 13 56.900 0.2 A 67 ASN CB C 13 38.802 0.2 A 67 ASN CG C 13 176.088 0.2 A 67 ASN N N 15 117.574 0.2 A 67 ASN ND2 N 15 112.417 0.2 A 68 ILE H H 1 8.132 0.02 A 68 ILE HA H 1 3.726 0.02 A 68 ILE HB H 1 2.046 0.02 A 68 ILE HD1% H 1 0.780 0.02 A 68 ILE HG1y H 1 1.873 0.02 A 68 ILE HG1x H 1 1.181 0.02 A 68 ILE HG2% H 1 0.926 0.02 A 68 ILE C C 13 178.722 0.2 A 68 ILE CA C 13 65.388 0.2 A 68 ILE CB C 13 37.841 0.2 A 68 ILE CD1 C 13 14.572 0.2 A 68 ILE CG1 C 13 28.945 0.2 A 68 ILE CG2 C 13 18.681 0.2 A 68 ILE N N 15 121.125 0.2 A 69 TYR H H 1 8.146 0.02 A 69 TYR HA H 1 4.058 0.02 A 69 TYR HBy H 1 3.343 0.02 A 69 TYR HBx H 1 2.968 0.02 A 69 TYR HD1 H 1 6.858 0.02 A 69 TYR HD2 H 1 6.858 0.02 A 69 TYR HE1 H 1 6.762 0.02 A 69 TYR HE2 H 1 6.762 0.02 A 69 TYR C C 13 177.061 0.2 A 69 TYR CA C 13 62.828 0.2 A 69 TYR CB C 13 38.747 0.2 A 69 TYR CD1 C 13 132.758 0.2 A 69 TYR CD2 C 13 132.758 0.2 A 69 TYR CE1 C 13 118.217 0.2 A 69 TYR CE2 C 13 118.217 0.2 A 69 TYR N N 15 121.378 0.2 A 70 LEU H H 1 8.630 0.02 A 70 LEU HA H 1 3.875 0.02 A 70 LEU HBy H 1 1.984 0.02 A 70 LEU HBx H 1 1.612 0.02 A 70 LEU HD1% H 1 0.982 0.02 A 70 LEU HD2% H 1 0.941 0.02 A 70 LEU HG H 1 1.923 0.02 A 70 LEU C C 13 179.755 0.2 A 70 LEU CA C 13 58.230 0.2 A 70 LEU CB C 13 41.733 0.2 A 70 LEU CD1 C 13 25.134 0.2 A 70 LEU CD2 C 13 23.548 0.2 A 70 LEU CG C 13 27.112 0.2 A 70 LEU N N 15 120.179 0.2 A 71 LYS H H 1 7.950 0.02 A 71 LYS HA H 1 3.957 0.02 A 71 LYS HBx H 1 1.915 0.02 A 71 LYS HBy H 1 1.915 0.02 A 71 LYS HDx H 1 1.691 0.02 A 71 LYS HDy H 1 1.691 0.02 A 71 LYS HEx H 1 2.995 0.02 A 71 LYS HEy H 1 2.995 0.02 A 71 LYS HGy H 1 1.632 0.02 A 71 LYS HGx H 1 1.437 0.02 A 71 LYS C C 13 178.961 0.2 A 71 LYS CA C 13 59.684 0.2 A 71 LYS CB C 13 32.421 0.2 A 71 LYS CD C 13 29.368 0.2 A 71 LYS CE C 13 42.111 0.2 A 71 LYS CG C 13 25.527 0.2 A 71 LYS N N 15 118.820 0.2 A 72 LEU H H 1 7.731 0.02 A 72 LEU HA H 1 4.037 0.02 A 72 LEU HBy H 1 1.764 0.02 A 72 LEU HBx H 1 1.543 0.02 A 72 LEU HD1% H 1 0.336 0.02 A 72 LEU HD2% H 1 0.469 0.02 A 72 LEU HG H 1 1.292 0.02 A 72 LEU C C 13 178.533 0.2 A 72 LEU CA C 13 57.352 0.2 A 72 LEU CB C 13 41.406 0.2 A 72 LEU CD1 C 13 22.851 0.2 A 72 LEU CD2 C 13 24.885 0.2 A 72 LEU CG C 13 26.496 0.2 A 72 LEU N N 15 121.367 0.2 A 73 GLN H H 1 7.884 0.02 A 73 GLN HA H 1 3.852 0.02 A 73 GLN HBy H 1 2.033 0.02 A 73 GLN HBx H 1 1.822 0.02 A 73 GLN HE21 H 1 6.245 0.02 A 73 GLN HE22 H 1 6.868 0.02 A 73 GLN HGy H 1 2.068 0.02 A 73 GLN HGx H 1 2.013 0.02 A 73 GLN C C 13 177.679 0.2 A 73 GLN CA C 13 57.026 0.2 A 73 GLN CB C 13 28.148 0.2 A 73 GLN CD C 13 179.365 0.2 A 73 GLN CG C 13 33.172 0.2 A 73 GLN N N 15 116.639 0.2 A 73 GLN NE2 N 15 112.425 0.2 A 74 ARG H H 1 7.725 0.02 A 74 ARG HA H 1 4.136 0.02 A 74 ARG HBy H 1 1.821 0.02 A 74 ARG HBx H 1 1.811 0.02 A 74 ARG HDx H 1 3.157 0.02 A 74 ARG HDy H 1 3.157 0.02 A 74 ARG HGy H 1 1.712 0.02 A 74 ARG HGx H 1 1.614 0.02 A 74 ARG C C 13 177.235 0.2 A 74 ARG CA C 13 57.452 0.2 A 74 ARG CB C 13 30.308 0.2 A 74 ARG CD C 13 43.543 0.2 A 74 ARG CG C 13 27.493 0.2 A 74 ARG N N 15 118.122 0.2 A 75 HIS H H 1 7.982 0.02 A 75 HIS HA H 1 4.564 0.02 A 75 HIS HBy H 1 3.339 0.02 A 75 HIS HBx H 1 3.224 0.02 A 75 HIS C C 13 175.202 0.2 A 75 HIS CA C 13 56.587 0.2 A 75 HIS CB C 13 28.477 0.2 A 75 HIS N N 15 117.995 0.2 A 76 LYS H H 1 8.180 0.02 A 76 LYS HA H 1 4.148 0.02 A 76 LYS HBy H 1 1.804 0.02 A 76 LYS HBx H 1 1.756 0.02 A 76 LYS HDx H 1 1.612 0.02 A 76 LYS HDy H 1 1.612 0.02 A 76 LYS HEx H 1 2.915 0.02 A 76 LYS HEy H 1 2.915 0.02 A 76 LYS HGy H 1 1.446 0.02 A 76 LYS HGx H 1 1.371 0.02 A 76 LYS C C 13 177.303 0.2 A 76 LYS CA C 13 57.550 0.2 A 76 LYS CB C 13 32.789 0.2 A 76 LYS CD C 13 29.288 0.2 A 76 LYS CE C 13 42.065 0.2 A 76 LYS CG C 13 25.005 0.2 A 76 LYS N N 15 121.510 0.2 A 77 GLU H H 1 8.321 0.02 A 77 GLU HA H 1 4.224 0.02 A 77 GLU HBy H 1 2.066 0.02 A 77 GLU HBx H 1 2.001 0.02 A 77 GLU HGy H 1 2.363 0.02 A 77 GLU HGx H 1 2.303 0.02 A 77 GLU C C 13 177.067 0.2 A 77 GLU CA C 13 56.991 0.2 A 77 GLU CB C 13 29.841 0.2 A 77 GLU CG C 13 35.673 0.2 A 77 GLU N N 15 120.860 0.2 A 78 ARG H H 1 8.228 0.02 A 78 ARG HA H 1 4.240 0.02 A 78 ARG HBy H 1 1.867 0.02 A 78 ARG HBx H 1 1.800 0.02 A 78 ARG HDx H 1 3.168 0.02 A 78 ARG HDy H 1 3.168 0.02 A 78 ARG HGy H 1 1.660 0.02 A 78 ARG HGx H 1 1.636 0.02 A 78 ARG C C 13 176.577 0.2 A 78 ARG CA C 13 56.786 0.2 A 78 ARG CB C 13 30.413 0.2 A 78 ARG CD C 13 43.468 0.2 A 78 ARG CG C 13 27.196 0.2 A 78 ARG N N 15 121.081 0.2 A 79 ASN H H 1 8.333 0.02 A 79 ASN HA H 1 4.617 0.02 A 79 ASN HBy H 1 2.819 0.02 A 79 ASN HBx H 1 2.758 0.02 A 79 ASN HD21 H 1 7.603 0.02 A 79 ASN HD22 H 1 6.907 0.02 A 79 ASN C C 13 175.605 0.2 A 79 ASN CA C 13 53.938 0.2 A 79 ASN CB C 13 38.748 0.2 A 79 ASN CG C 13 176.851 0.2 A 79 ASN N N 15 118.880 0.2 A 79 ASN ND2 N 15 112.739 0.2 A 80 GLN H H 1 8.285 0.02 A 80 GLN HA H 1 4.253 0.02 A 80 GLN HBy H 1 2.102 0.02 A 80 GLN HBx H 1 1.979 0.02 A 80 GLN HE21 H 1 7.530 0.02 A 80 GLN HE22 H 1 6.864 0.02 A 80 GLN HGy H 1 2.358 0.02 A 80 GLN HGx H 1 2.357 0.02 A 80 GLN C C 13 176.304 0.2 A 80 GLN CA C 13 56.545 0.2 A 80 GLN CB C 13 29.274 0.2 A 80 GLN CD C 13 180.365 0.2 A 80 GLN CG C 13 33.824 0.2 A 80 GLN N N 15 120.222 0.2 A 80 GLN NE2 N 15 112.418 0.2 A 81 LEU H H 1 8.130 0.02 A 81 LEU HA H 1 4.222 0.02 A 81 LEU HBy H 1 1.617 0.02 A 81 LEU HBx H 1 1.513 0.02 A 81 LEU HD1% H 1 0.887 0.02 A 81 LEU HD2% H 1 0.820 0.02 A 81 LEU HG H 1 1.586 0.02 A 81 LEU C C 13 177.542 0.2 A 81 LEU CA C 13 55.736 0.2 A 81 LEU CB C 13 42.196 0.2 A 81 LEU CD1 C 13 25.001 0.2 A 81 LEU CD2 C 13 23.353 0.2 A 81 LEU CG C 13 26.989 0.2 A 81 LEU N N 15 122.119 0.2 A 82 GLU H H 1 8.133 0.02 A 82 GLU HA H 1 4.168 0.02 A 82 GLU HBx H 1 1.884 0.02 A 82 GLU HBy H 1 1.884 0.02 A 82 GLU HGy H 1 2.245 0.02 A 82 GLU HGx H 1 2.171 0.02 A 82 GLU C C 13 176.340 0.2 A 82 GLU CA C 13 56.538 0.2 A 82 GLU CB C 13 30.082 0.2 A 82 GLU CG C 13 35.694 0.2 A 82 GLU N N 15 120.411 0.2 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 30 TRP HZ2 A 47 SER HA 1.0 1.8 4.70 2 2 A 30 TRP HZ2 A 48 ILE HG1x 1.0 1.8 5.13 3 3 A 58 THR HG2% A 60 TRP HZ2 1.0 1.8 5.58 4 4 A 30 TRP HZ3 A 42 PHE HE% 1.0 1.8 5.21 5 5 A 30 TRP HZ3 A 42 PHE HD% 1.0 1.8 5.25 6 6 A 30 TRP HZ3 A 21 LEU HD1% 1.0 1.8 5.57 7 7 A 21 LEU HD2% A 30 TRP HE3 1.0 1.8 6.05 8 8 A 28 TYR HD% A 24 LEU HBx 1.0 1.8 5.82 9 9 A 24 LEU HD1% A 69 TYR HD% 1.0 1.8 4.57 10 10 A 35 TYR HD% A 36 MET HA 1.0 1.8 5.82 11 11 A 69 TYR HE% A 23 GLU HBy 1.0 1.8 4.73 12 12 A 28 TYR HE% A 68 ILE HB 1.0 1.8 6.05 13 13 A 28 TYR HE% A 72 LEU HD2% 1.0 1.8 4.66 14 14 A 30 TRP HE3 A 42 PHE HBy 1.0 1.8 5.49 15 15 A 30 TRP HE3 A 42 PHE HBx 1.0 1.8 5.49 16 16 A 42 PHE HD% A 34 SER HA 1.0 1.8 5.52 17 17 A 42 PHE HD% A 21 LEU HD1% 1.0 1.8 6.05 18 18 A 39 ILE HD1% A 54 PHE HD% 1.0 1.8 5.49 19 19 A 54 PHE HE% A 55 LEU HD2% 1.0 1.8 5.40 20 20 A 64 ARG HA A 67 ASN HBx 1.0 1.8 4.62 21 21 A 73 GLN H A 73 GLN HGx 1.0 1.8 4.69 22 22 A 42 PHE HE% A 37 VAL HB 1.0 1.8 4.91 23 23 A 42 PHE HD% A 37 VAL HB 1.0 1.8 4.93 24 24 A 40 ASN HA A 44 LYS H 1.0 1.8 6.05 25 25 A 80 GLN HGy A 81 LEU HBy 1.0 1.8 5.69 26 25 A 80 GLN HGx A 81 LEU HBy 1.0 1.8 5.69 27 26 A 81 LEU HG A 80 GLN HGy 1.0 1.8 6.01 28 26 A 80 GLN HGx A 81 LEU HG 1.0 1.8 6.01 29 27 A 81 LEU HBx A 80 GLN HGy 1.0 1.8 5.69 30 27 A 80 GLN HGx A 81 LEU HBx 1.0 1.8 5.69 31 28 A 37 VAL HA A 64 ARG HDx 1.0 1.8 4.82 32 28 A 37 VAL HA A 64 ARG HDy 1.0 1.8 4.82 33 29 A 36 MET HE% A 68 ILE HG2% 1.0 1.8 3.66 34 30 A 36 MET HE% A 68 ILE HD1% 1.0 1.8 4.07 35 31 A 36 MET HE% A 33 LEU HD2% 1.0 1.8 4.18 36 32 A 36 MET HE% A 36 MET HGy 1.0 1.8 5.05 37 33 A 36 MET HE% A 32 GLU HGx 1.0 1.8 5.17 38 34 A 36 MET HE% A 32 GLU HBy 1.0 1.8 4.66 39 35 A 36 MET HE% A 36 MET HBy 1.0 1.8 4.92 40 36 A 36 MET HE% A 32 GLU HBx 1.0 1.8 4.66 41 37 A 36 MET HE% A 28 TYR HBy 1.0 1.8 5.53 42 38 A 36 MET HE% A 32 GLU HA 1.0 1.8 4.69 43 39 A 28 TYR HE% A 36 MET HE% 1.0 1.8 4.32 44 40 A 28 TYR HD% A 36 MET HE% 1.0 1.8 4.60 45 41 A 36 MET HE% A 33 LEU HD1% 1.0 1.8 5.10 46 42 A 36 MET HBx A 37 VAL HG2% 1.0 1.8 4.08 47 43 A 42 PHE HE% A 37 VAL HG2% 1.0 1.8 4.39 48 44 A 42 PHE HZ A 65 VAL HG1% 1.0 1.8 4.47 49 45 A 65 VAL HG1% A 65 VAL H 1.0 1.8 4.30 50 46 A 16 THR H A 19 LYS HBx 1.0 1.8 5.08 51 47 A 19 LYS HA A 19 LYS HDy 1.0 1.8 4.77 52 48 A 53 LYS HA A 53 LYS HBy 1.0 1.8 3.20 53 48 A 53 LYS HA A 53 LYS HBx 1.0 1.8 3.20 54 49 A 71 LYS HA A 71 LYS HBx 1.0 1.8 3.18 55 49 A 71 LYS HA A 71 LYS HBy 1.0 1.8 3.18 56 50 A 4 ILE HA A 4 ILE HG2% 1.0 1.8 4.32 57 51 A 18 GLN HA A 18 GLN HGy 1.0 1.8 4.58 58 52 A 25 VAL HA A 25 VAL HG2% 1.0 1.8 3.90 59 53 A 31 GLU HA A 31 GLU HGy 1.0 1.8 4.17 60 54 A 32 GLU HA A 32 GLU HGy 1.0 1.8 4.23 61 55 A 36 MET HA A 36 MET HGy 1.0 1.8 4.25 62 56 A 37 VAL HA A 37 VAL HG2% 1.0 1.8 3.90 63 57 A 43 LYS HA A 43 LYS HGy 1.0 1.8 4.66 64 58 A 49 LYS HA A 49 LYS HGy 1.0 1.8 4.39 65 59 A 64 ARG HA A 64 ARG HGy 1.0 1.8 4.58 66 60 A 66 GLU HA A 66 GLU HGy 1.0 1.8 4.60 67 61 A 73 GLN HA A 73 GLN HGy 1.0 1.8 4.27 68 62 A 74 ARG HA A 74 ARG HGy 1.0 1.8 4.61 69 63 A 76 LYS HA A 76 LYS HGy 1.0 1.8 4.30 70 64 A 77 GLU HA A 77 GLU HGy 1.0 1.8 4.20 71 65 A 8 GLN HA A 8 GLN HGx 1.0 1.8 4.18 72 65 A 8 GLN HA A 8 GLN HGy 1.0 1.8 4.18 73 66 A 18 GLN HA A 18 GLN HGx 1.0 1.8 4.58 74 67 A 26 GLU HA A 26 GLU HGx 1.0 1.8 4.65 75 68 A 31 GLU HA A 31 GLU HGx 1.0 1.8 4.17 76 69 A 32 GLU HA A 32 GLU HGx 1.0 1.8 4.23 77 70 A 36 MET HA A 36 MET HGx 1.0 1.8 4.25 78 71 A 43 LYS HA A 43 LYS HGx 1.0 1.8 4.66 79 72 A 56 ARG HA A 56 ARG HGx 1.0 1.8 4.32 80 73 A 66 GLU HA A 66 GLU HGx 1.0 1.8 4.60 81 74 A 73 GLN HA A 73 GLN HGx 1.0 1.8 4.27 82 75 A 76 LYS HA A 76 LYS HDx 1.0 1.8 5.26 83 75 A 76 LYS HA A 76 LYS HDy 1.0 1.8 5.26 84 76 A 76 LYS HA A 76 LYS HGx 1.0 1.8 4.30 85 77 A 77 GLU HA A 77 GLU HGx 1.0 1.8 4.20 86 78 A 20 LEU HA A 20 LEU HG 1.0 1.8 4.20 87 79 A 21 LEU HA A 21 LEU HG 1.0 1.8 3.93 88 80 A 24 LEU HA A 24 LEU HG 1.0 1.8 4.21 89 81 A 33 LEU HA A 33 LEU HG 1.0 1.8 4.18 90 82 A 36 MET HE% A 33 LEU HA 1.0 1.8 4.21 91 83 A 52 LEU HA A 52 LEU HG 1.0 1.8 4.32 92 84 A 70 LEU HA A 70 LEU HG 1.0 1.8 4.03 93 85 A 72 LEU HA A 72 LEU HG 1.0 1.8 4.14 94 86 A 81 LEU HG A 81 LEU HA 1.0 1.8 4.19 95 87 A 3 LEU HA A 3 LEU HD1% 1.0 1.8 4.91 96 88 A 4 ILE HA A 4 ILE HD1% 1.0 1.8 4.80 97 89 A 12 LEU HA A 12 LEU HD1% 1.0 1.8 4.43 98 90 A 15 ILE HA A 15 ILE HG2% 1.0 1.8 3.88 99 91 A 20 LEU HA A 20 LEU HD1% 1.0 1.8 4.64 100 92 A 21 LEU HD1% A 21 LEU HA 1.0 1.8 3.55 101 93 A 70 LEU HA A 70 LEU HD2% 1.0 1.8 3.84 102 94 A 24 LEU HD1% A 24 LEU HA 1.0 1.8 4.36 103 95 A 35 TYR HD% A 35 TYR HA 1.0 1.8 4.26 104 96 A 39 ILE HD1% A 39 ILE HA 1.0 1.8 5.03 105 97 A 42 PHE HD% A 42 PHE HA 1.0 1.8 4.16 106 98 A 54 PHE HD% A 54 PHE HA 1.0 1.8 4.30 107 99 A 55 LEU HA A 55 LEU HD1% 1.0 1.8 4.79 108 100 A 60 TRP HA A 60 TRP HD1 1.0 1.8 4.94 109 101 A 68 ILE HD1% A 68 ILE HA 1.0 1.8 4.84 110 102 A 70 LEU HA A 70 LEU HD1% 1.0 1.8 4.36 111 103 A 3 LEU HA A 3 LEU HD2% 1.0 1.8 4.91 112 104 A 20 LEU HA A 20 LEU HD2% 1.0 1.8 4.71 113 105 A 21 LEU HD2% A 21 LEU HA 1.0 1.8 4.54 114 106 A 28 TYR HD% A 28 TYR HA 1.0 1.8 4.07 115 107 A 34 SER HBx A 42 PHE HBx 1.0 1.8 5.40 116 108 A 69 TYR HD% A 69 TYR HA 1.0 1.8 4.41 117 109 A 72 LEU HD2% A 72 LEU HA 1.0 1.8 4.52 118 110 A 56 ARG HA A 56 ARG HDy 1.0 1.8 6.05 119 111 A 56 ARG HA A 56 ARG HDx 1.0 1.8 6.05 120 112 A 57 LYS HA A 57 LYS HDx 1.0 1.8 5.12 121 112 A 57 LYS HA A 57 LYS HDy 1.0 1.8 5.12 122 113 A 64 ARG HA A 64 ARG HDx 1.0 1.8 4.40 123 113 A 64 ARG HA A 64 ARG HDy 1.0 1.8 4.40 124 114 A 74 ARG HA A 74 ARG HDx 1.0 1.8 4.54 125 114 A 74 ARG HA A 74 ARG HDy 1.0 1.8 4.54 126 115 A 78 ARG HA A 78 ARG HDx 1.0 1.8 5.06 127 115 A 78 ARG HA A 78 ARG HDy 1.0 1.8 5.06 128 116 A 15 ILE HA A 15 ILE HG1y 1.0 1.8 4.30 129 117 A 68 ILE HA A 68 ILE HG1y 1.0 1.8 4.32 130 118 A 15 ILE HA A 15 ILE HG1x 1.0 1.8 3.97 131 119 A 68 ILE HA A 68 ILE HG1x 1.0 1.8 4.32 132 120 A 25 VAL HA A 25 VAL HG1% 1.0 1.8 4.02 133 121 A 37 VAL HA A 37 VAL HG1% 1.0 1.8 3.86 134 122 A 65 VAL HG1% A 65 VAL HA 1.0 1.8 3.83 135 123 A 30 TRP HE3 A 30 TRP HA 1.0 1.8 4.29 136 124 A 19 LYS H A 19 LYS HBy 1.0 1.8 4.23 137 125 A 23 GLU H A 23 GLU HBy 1.0 1.8 4.17 138 126 A 38 ASN H A 38 ASN HBy 1.0 1.8 4.32 139 127 A 53 LYS H A 53 LYS HBy 1.0 1.8 3.67 140 127 A 53 LYS HBx A 53 LYS H 1.0 1.8 3.67 141 128 A 79 ASN H A 79 ASN HBy 1.0 1.8 4.16 142 129 A 80 GLN H A 80 GLN HBy 1.0 1.8 4.19 143 130 A 69 TYR HA A 72 LEU HBx 1.0 1.8 4.51 144 131 A 4 ILE HD1% A 4 ILE HB 1.0 1.8 4.18 145 132 A 12 LEU HD2% A 12 LEU HBy 1.0 1.8 3.97 146 133 A 17 LEU HBx A 17 LEU HD2% 1.0 1.8 3.88 147 134 A 33 LEU HD2% A 33 LEU HBy 1.0 1.8 4.54 148 135 A 64 ARG HDy A 64 ARG HBy 1.0 1.8 4.61 149 135 A 64 ARG HBy A 64 ARG HDx 1.0 1.8 4.61 150 136 A 81 LEU HBy A 81 LEU HD2% 1.0 1.8 4.19 151 137 A 72 LEU HG A 72 LEU H 1.0 1.8 4.98 152 138 A 70 LEU HG A 70 LEU HBy 1.0 1.8 2.88 153 139 A 12 LEU HA A 12 LEU HG 1.0 1.8 4.54 154 140 A 7 GLN HA A 7 GLN HGy 1.0 1.8 4.32 155 140 A 7 GLN HA A 7 GLN HGx 1.0 1.8 4.32 156 141 A 23 GLU HA A 23 GLU HGy 1.0 1.8 4.53 157 142 A 26 GLU HA A 26 GLU HGy 1.0 1.8 4.65 158 143 A 56 ARG HA A 56 ARG HGy 1.0 1.8 4.32 159 144 A 70 LEU HA A 73 GLN HGy 1.0 1.8 4.94 160 145 A 80 GLN HA A 80 GLN HGy 1.0 1.8 4.14 161 145 A 80 GLN HGx A 80 GLN HA 1.0 1.8 4.14 162 146 A 23 GLU HA A 23 GLU HGx 1.0 1.8 4.53 163 147 A 49 LYS HA A 49 LYS HGx 1.0 1.8 4.39 164 148 A 64 ARG HA A 64 ARG HGx 1.0 1.8 4.58 165 149 A 70 LEU HA A 73 GLN HGx 1.0 1.8 4.94 166 150 A 74 ARG HA A 74 ARG HGx 1.0 1.8 4.61 167 151 A 44 LYS H A 44 LYS HGy 1.0 1.8 5.33 168 152 A 56 ARG H A 56 ARG HGy 1.0 1.8 4.61 169 153 A 76 LYS H A 76 LYS HGy 1.0 1.8 5.07 170 154 A 78 ARG H A 78 ARG HGy 1.0 1.8 5.03 171 155 A 7 GLN H A 7 GLN HGy 1.0 1.8 4.68 172 155 A 7 GLN HGx A 7 GLN H 1.0 1.8 4.68 173 156 A 18 GLN H A 18 GLN HGx 1.0 1.8 5.28 174 157 A 23 GLU H A 23 GLU HGx 1.0 1.8 4.20 175 158 A 44 LYS H A 44 LYS HGx 1.0 1.8 5.33 176 159 A 76 LYS H A 76 LYS HGx 1.0 1.8 5.07 177 160 A 78 ARG H A 78 ARG HGx 1.0 1.8 5.03 178 161 A 36 MET HE% A 36 MET HGx 1.0 1.8 5.05 179 162 A 64 ARG HE A 64 ARG HGx 1.0 1.8 4.58 180 163 A 17 LEU HBx A 17 LEU HD1% 1.0 1.8 4.20 181 164 A 52 LEU HD1% A 52 LEU HBx 1.0 1.8 3.82 182 165 A 81 LEU HBx A 81 LEU HD1% 1.0 1.8 4.19 183 166 A 4 ILE HG2% A 4 ILE HG1y 1.0 1.8 4.64 184 167 A 68 ILE HG2% A 68 ILE HG1y 1.0 1.8 4.16 185 168 A 12 LEU H A 12 LEU HBx 1.0 1.8 4.20 186 169 A 32 GLU H A 32 GLU HBx 1.0 1.8 4.10 187 170 A 38 ASN H A 38 ASN HBx 1.0 1.8 4.32 188 171 A 50 SER H A 50 SER HBx 1.0 1.8 4.10 189 172 A 63 GLU H A 63 GLU HBx 1.0 1.8 3.95 190 172 A 63 GLU H A 63 GLU HBy 1.0 1.8 3.95 191 173 A 64 ARG H A 64 ARG HBx 1.0 1.8 4.46 192 174 A 67 ASN H A 67 ASN HBx 1.0 1.8 3.94 193 175 A 12 LEU HD2% A 12 LEU HBx 1.0 1.8 3.97 194 176 A 20 LEU HD2% A 20 LEU HBy 1.0 1.8 4.27 195 177 A 81 LEU HBx A 81 LEU HD2% 1.0 1.8 4.19 196 178 A 57 LYS HEy A 57 LYS HGx 1.0 1.8 4.38 197 178 A 57 LYS HEx A 57 LYS HGx 1.0 1.8 4.38 198 179 A 57 LYS HGy A 57 LYS HEx 1.0 1.8 4.38 199 179 A 57 LYS HEy A 57 LYS HGy 1.0 1.8 4.38 200 180 A 33 LEU HD1% A 33 LEU HBy 1.0 1.8 3.79 201 181 A 52 LEU HD1% A 52 LEU HBy 1.0 1.8 3.82 202 182 A 17 LEU HD2% A 52 LEU HD2% 1.0 1.8 3.36 203 183 A 12 LEU HD1% A 12 LEU HBy 1.0 1.8 3.67 204 184 A 20 LEU HD1% A 20 LEU HBx 1.0 1.8 3.96 205 185 A 21 LEU HD1% A 21 LEU HBy 1.0 1.8 4.20 206 186 A 24 LEU HD1% A 24 LEU HBy 1.0 1.8 4.16 207 187 A 70 LEU HD1% A 70 LEU HBy 1.0 1.8 3.52 208 188 A 72 LEU HBx A 72 LEU HD1% 1.0 1.8 4.33 209 189 A 81 LEU HD1% A 81 LEU HBy 1.0 1.8 4.19 210 190 A 20 LEU HD2% A 20 LEU HBx 1.0 1.8 3.63 211 191 A 21 LEU HD2% A 21 LEU HBy 1.0 1.8 4.26 212 192 A 24 LEU HD2% A 24 LEU HBy 1.0 1.8 4.07 213 193 A 33 LEU HD2% A 24 LEU HBx 1.0 1.8 4.58 214 194 A 55 LEU HD2% A 55 LEU HBy 1.0 1.8 4.49 215 195 A 70 LEU HD2% A 70 LEU HBy 1.0 1.8 3.67 216 196 A 72 LEU HD2% A 72 LEU HBx 1.0 1.8 4.14 217 197 A 12 LEU HD1% A 12 LEU HBx 1.0 1.8 3.67 218 198 A 17 LEU HD1% A 17 LEU HBy 1.0 1.8 3.49 219 199 A 20 LEU HD1% A 20 LEU HBy 1.0 1.8 3.73 220 200 A 21 LEU HD1% A 21 LEU HBx 1.0 1.8 4.20 221 201 A 24 LEU HD1% A 24 LEU HBx 1.0 1.8 4.16 222 202 A 33 LEU HD1% A 33 LEU HBx 1.0 1.8 4.32 223 203 A 70 LEU HD1% A 70 LEU HBx 1.0 1.8 3.69 224 204 A 72 LEU HD1% A 72 LEU HBy 1.0 1.8 4.08 225 205 A 17 LEU HD2% A 17 LEU HBy 1.0 1.8 3.54 226 206 A 24 LEU HD1% A 20 LEU HD2% 1.0 1.8 3.79 227 207 A 21 LEU HD2% A 21 LEU HBx 1.0 1.8 4.26 228 208 A 24 LEU HD2% A 24 LEU HBx 1.0 1.8 4.07 229 209 A 33 LEU HD2% A 33 LEU HBx 1.0 1.8 3.86 230 210 A 55 LEU HD2% A 55 LEU HBx 1.0 1.8 4.49 231 211 A 70 LEU HD2% A 70 LEU HBx 1.0 1.8 3.39 232 212 A 72 LEU HD2% A 72 LEU HBy 1.0 1.8 3.83 233 213 A 57 LYS HDy A 57 LYS HBx 1.0 1.8 3.10 234 213 A 57 LYS HBx A 57 LYS HDx 1.0 1.8 3.10 235 214 A 74 ARG HBx A 74 ARG HDx 1.0 1.8 3.51 236 214 A 74 ARG HDy A 74 ARG HBy 1.0 1.8 3.51 237 214 A 74 ARG HDy A 74 ARG HBx 1.0 1.8 3.51 238 214 A 74 ARG HBy A 74 ARG HDx 1.0 1.8 3.51 239 215 A 57 LYS HDy A 57 LYS HBy 1.0 1.8 3.10 240 215 A 57 LYS HBy A 57 LYS HDx 1.0 1.8 3.10 241 216 A 56 ARG HBy A 56 ARG HDy 1.0 1.8 3.77 242 216 A 56 ARG HDy A 56 ARG HBx 1.0 1.8 3.77 243 217 A 56 ARG HBx A 56 ARG HDx 1.0 1.8 3.77 244 217 A 56 ARG HBy A 56 ARG HDx 1.0 1.8 3.77 245 218 A 64 ARG HDy A 64 ARG HBx 1.0 1.8 4.61 246 218 A 64 ARG HBx A 64 ARG HDx 1.0 1.8 4.61 247 219 A 15 ILE HB A 15 ILE HD1% 1.0 1.8 3.92 248 220 A 39 ILE HD1% A 39 ILE HB 1.0 1.8 4.35 249 221 A 48 ILE HB A 48 ILE HD1% 1.0 1.8 4.25 250 222 A 68 ILE HD1% A 36 MET HBx 1.0 1.8 4.19 251 223 A 68 ILE HB A 68 ILE HD1% 1.0 1.8 4.32 252 224 A 4 ILE HG2% A 4 ILE HD1% 1.0 1.8 2.64 253 225 A 48 ILE HD1% A 48 ILE HG2% 1.0 1.8 2.72 254 226 A 68 ILE HD1% A 37 VAL HG2% 1.0 1.8 3.50 255 227 A 15 ILE HA A 15 ILE HD1% 1.0 1.8 4.33 256 228 A 17 LEU HD1% A 17 LEU HA 1.0 1.8 3.70 257 229 A 33 LEU HD1% A 33 LEU HA 1.0 1.8 4.40 258 230 A 48 ILE HD1% A 48 ILE HA 1.0 1.8 3.95 259 231 A 68 ILE HD1% A 65 VAL HA 1.0 1.8 3.94 260 232 A 81 LEU HA A 81 LEU HD1% 1.0 1.8 4.63 261 233 A 39 ILE HD1% A 39 ILE HG2% 1.0 1.8 3.71 262 234 A 52 LEU HD1% A 48 ILE HG2% 1.0 1.8 3.86 263 235 A 68 ILE HG2% A 68 ILE HD1% 1.0 1.8 3.72 264 236 A 6 THR HA A 6 THR HG2% 1.0 1.8 3.83 265 237 A 16 THR HA A 16 THR HG2% 1.0 1.8 3.62 266 238 A 22 THR HA A 22 THR HG2% 1.0 1.8 4.02 267 239 A 39 ILE HA A 39 ILE HG2% 1.0 1.8 3.86 268 240 A 48 ILE HG2% A 48 ILE HA 1.0 1.8 3.85 269 241 A 58 THR HG2% A 58 THR HA 1.0 1.8 3.89 270 242 A 65 VAL HA A 65 VAL HG2% 1.0 1.8 3.89 271 243 A 68 ILE HG2% A 68 ILE HA 1.0 1.8 3.90 272 244 A 6 THR HG2% A 6 THR H 1.0 1.8 4.49 273 245 A 15 ILE HG2% A 15 ILE H 1.0 1.8 4.43 274 246 A 39 ILE HG2% A 39 ILE H 1.0 1.8 4.70 275 247 A 68 ILE HG2% A 69 TYR H 1.0 1.8 4.87 276 248 A 15 ILE HG2% A 15 ILE HG1y 1.0 1.8 4.04 277 249 A 48 ILE HG2% A 48 ILE HG1y 1.0 1.8 4.21 278 250 A 4 ILE HG2% A 4 ILE HG1x 1.0 1.8 4.64 279 251 A 15 ILE HG2% A 15 ILE HG1x 1.0 1.8 3.88 280 252 A 48 ILE HG2% A 48 ILE HG1x 1.0 1.8 4.21 281 253 A 68 ILE HG2% A 68 ILE HG1x 1.0 1.8 4.16 282 254 A 42 PHE HD% A 42 PHE H 1.0 1.8 5.21 283 255 A 68 ILE HD1% A 68 ILE H 1.0 1.8 4.49 284 256 A 72 LEU H A 72 LEU HD1% 1.0 1.8 4.87 285 257 A 81 LEU H A 81 LEU HD1% 1.0 1.8 5.19 286 258 A 60 TRP HA A 61 ALA HA 1.0 1.8 5.51 287 259 A 3 LEU HA A 4 ILE H 1.0 1.8 3.82 288 260 A 4 ILE HA A 5 MET H 1.0 1.8 3.71 289 261 A 9 ASN HA A 10 ASN H 1.0 1.8 3.86 290 262 A 37 VAL HA A 38 ASN H 1.0 1.8 3.85 291 263 A 24 LEU HA A 28 TYR H 1.0 1.8 5.18 292 264 A 76 LYS H A 75 HIS HA 1.0 1.8 3.84 293 265 A 78 ARG HA A 79 ASN H 1.0 1.8 3.61 294 266 A 80 GLN H A 79 ASN HA 1.0 1.8 3.82 295 267 A 8 GLN H A 7 GLN HBx 1.0 1.8 4.72 296 268 A 10 ASN H A 9 ASN HBx 1.0 1.8 4.53 297 269 A 14 GLY H A 13 HIS HBx 1.0 1.8 5.30 298 270 A 18 GLN H A 17 LEU HBy 1.0 1.8 4.79 299 271 A 20 LEU H A 19 LYS HBx 1.0 1.8 4.91 300 272 A 43 LYS H A 42 PHE HBx 1.0 1.8 4.92 301 273 A 44 LYS H A 43 LYS HBx 1.0 1.8 4.91 302 274 A 45 ASP H A 44 LYS HBx 1.0 1.8 5.39 303 275 A 67 ASN H A 66 GLU HBx 1.0 1.8 4.29 304 276 A 74 ARG H A 73 GLN HBx 1.0 1.8 5.03 305 277 A 77 GLU H A 76 LYS HBx 1.0 1.8 5.15 306 278 A 78 ARG H A 77 GLU HBx 1.0 1.8 4.76 307 279 A 79 ASN H A 78 ARG HBx 1.0 1.8 4.42 308 280 A 8 GLN H A 7 GLN HBy 1.0 1.8 4.72 309 281 A 10 ASN H A 9 ASN HBy 1.0 1.8 4.53 310 282 A 20 LEU H A 19 LYS HBy 1.0 1.8 4.91 311 283 A 20 LEU HBx A 21 LEU H 1.0 1.8 4.59 312 284 A 43 LYS H A 42 PHE HBy 1.0 1.8 4.92 313 285 A 44 LYS H A 43 LYS HBy 1.0 1.8 4.91 314 286 A 63 GLU H A 62 ARG HBy 1.0 1.8 4.43 315 287 A 78 ARG H A 77 GLU HBy 1.0 1.8 4.76 316 288 A 80 GLN H A 79 ASN HBy 1.0 1.8 4.40 317 289 A 7 GLN H A 6 THR HB 1.0 1.8 4.50 318 290 A 16 THR H A 15 ILE HB 1.0 1.8 4.61 319 291 A 68 ILE HB A 69 TYR H 1.0 1.8 4.52 320 292 A 12 LEU H A 11 PRO HGy 1.0 1.8 5.20 321 293 A 57 LYS H A 57 LYS HDx 1.0 1.8 5.10 322 293 A 57 LYS HDy A 57 LYS H 1.0 1.8 5.10 323 294 A 52 LEU HA A 52 LEU HD1% 1.0 1.8 4.53 324 295 A 72 LEU HA A 72 LEU HD1% 1.0 1.8 3.73 325 296 A 12 LEU HA A 12 LEU HD2% 1.0 1.8 3.54 326 297 A 17 LEU HD2% A 17 LEU HA 1.0 1.8 4.44 327 298 A 21 LEU HD2% A 51 SER HBx 1.0 1.8 4.70 328 299 A 24 LEU HA A 24 LEU HD2% 1.0 1.8 3.77 329 300 A 33 LEU HD2% A 33 LEU HA 1.0 1.8 3.96 330 301 A 52 LEU HA A 52 LEU HD2% 1.0 1.8 3.66 331 302 A 55 LEU HD2% A 55 LEU HA 1.0 1.8 3.70 332 303 A 72 LEU HD2% A 69 TYR HA 1.0 1.8 4.74 333 304 A 81 LEU HA A 81 LEU HD2% 1.0 1.8 4.63 334 305 A 33 LEU HD1% A 25 VAL HG2% 1.0 1.8 3.99 335 306 A 21 LEU HD2% A 25 VAL HG2% 1.0 1.8 4.74 336 307 A 21 LEU HD1% A 25 VAL HG2% 1.0 1.8 3.73 337 308 A 25 VAL HG2% A 30 TRP HA 1.0 1.8 5.60 338 309 A 25 VAL HG2% A 21 LEU HA 1.0 1.8 5.27 339 310 A 30 TRP HZ2 A 25 VAL HG2% 1.0 1.8 5.03 340 311 A 30 TRP HZ3 A 25 VAL HG2% 1.0 1.8 5.20 341 312 A 25 VAL HG2% A 30 TRP HH2 1.0 1.8 4.98 342 313 A 39 ILE HD1% A 61 ALA HB% 1.0 1.8 4.27 343 314 A 39 ILE HD1% A 37 VAL HB 1.0 1.8 6.05 344 315 A 42 PHE HD% A 39 ILE HD1% 1.0 1.8 5.42 345 316 A 42 PHE HE% A 39 ILE HD1% 1.0 1.8 5.18 346 317 A 39 ILE HD1% A 42 PHE H 1.0 1.8 5.00 347 318 A 54 PHE HE% A 61 ALA HB% 1.0 1.8 4.21 348 319 A 28 TYR HE% A 72 LEU HD1% 1.0 1.8 4.63 349 320 A 21 LEU HD1% A 33 LEU HD1% 1.0 1.8 3.88 350 321 A 24 LEU HD1% A 33 LEU HD1% 1.0 1.8 4.11 351 322 A 33 LEU HD1% A 25 VAL HA 1.0 1.8 4.36 352 323 A 33 LEU HD1% A 24 LEU HBy 1.0 1.8 4.87 353 324 A 33 LEU HD1% A 30 TRP HA 1.0 1.8 4.63 354 325 A 28 TYR HD% A 33 LEU HD1% 1.0 1.8 5.20 355 326 A 33 LEU HD1% A 25 VAL H 1.0 1.8 5.02 356 327 A 33 LEU HD2% A 25 VAL HG2% 1.0 1.8 4.36 357 328 A 21 LEU HD1% A 33 LEU HD2% 1.0 1.8 4.08 358 329 A 68 ILE HG2% A 33 LEU HD2% 1.0 1.8 4.30 359 330 A 33 LEU HD2% A 24 LEU HD2% 1.0 1.8 4.05 360 331 A 33 LEU HD2% A 24 LEU HBy 1.0 1.8 4.58 361 332 A 68 ILE HB A 33 LEU HD2% 1.0 1.8 5.62 362 333 A 33 LEU HD2% A 24 LEU HA 1.0 1.8 5.25 363 334 A 28 TYR HD% A 33 LEU HD2% 1.0 1.8 4.40 364 335 A 72 LEU HD2% A 24 LEU HD2% 1.0 1.8 3.82 365 336 A 72 LEU HD2% A 24 LEU HG 1.0 1.8 6.05 366 337 A 69 TYR HE% A 72 LEU HD2% 1.0 1.8 5.25 367 338 A 72 LEU HD2% A 72 LEU H 1.0 1.8 4.60 368 339 A 58 THR HG2% A 61 ALA HB% 1.0 1.8 3.79 369 340 A 58 THR HG2% A 54 PHE HE% 1.0 1.8 4.38 370 341 A 58 THR HG2% A 54 PHE HZ 1.0 1.8 4.47 371 342 A 58 THR HG2% A 60 TRP HD1 1.0 1.8 4.36 372 343 A 20 LEU HD1% A 17 LEU HD1% 1.0 1.8 4.07 373 344 A 24 LEU HG A 20 LEU HD1% 1.0 1.8 5.30 374 345 A 20 LEU HD1% A 17 LEU HBy 1.0 1.8 5.25 375 346 A 20 LEU HD1% A 69 TYR HBy 1.0 1.8 4.70 376 347 A 20 LEU HD1% A 69 TYR HBx 1.0 1.8 4.52 377 348 A 66 GLU HA A 20 LEU HD1% 1.0 1.8 4.02 378 349 A 69 TYR HD% A 20 LEU HD1% 1.0 1.8 4.53 379 350 A 24 LEU HG A 20 LEU HD2% 1.0 1.8 4.69 380 351 A 20 LEU HD2% A 17 LEU HG 1.0 1.8 5.79 381 352 A 21 LEU HG A 20 LEU HD2% 1.0 1.8 6.05 382 353 A 20 LEU HD2% A 69 TYR HBy 1.0 1.8 4.98 383 354 A 66 GLU HA A 20 LEU HD2% 1.0 1.8 4.42 384 355 A 69 TYR HD% A 20 LEU HD2% 1.0 1.8 4.89 385 356 A 55 LEU HD2% A 61 ALA HB% 1.0 1.8 3.76 386 357 A 39 ILE HD1% A 55 LEU HD2% 1.0 1.8 4.31 387 358 A 55 LEU HD2% A 62 ARG HA 1.0 1.8 3.97 388 359 A 55 LEU HD2% A 42 PHE HZ 1.0 1.8 4.35 389 360 A 54 PHE HD% A 55 LEU HD2% 1.0 1.8 4.58 390 361 A 20 LEU HA A 15 ILE HD1% 1.0 1.8 4.36 391 362 A 15 ILE HD1% A 19 LYS HEx 1.0 1.8 5.22 392 362 A 15 ILE HD1% A 19 LYS HEy 1.0 1.8 5.22 393 363 A 69 TYR HE% A 15 ILE HD1% 1.0 1.8 4.60 394 364 A 15 ILE HD1% A 20 LEU H 1.0 1.8 5.62 395 365 A 16 THR H A 15 ILE HD1% 1.0 1.8 5.54 396 366 A 16 THR H A 15 ILE HG2% 1.0 1.8 4.18 397 367 A 39 ILE HG2% A 61 ALA HB% 1.0 1.8 4.09 398 368 A 39 ILE HG2% A 54 PHE HZ 1.0 1.8 4.75 399 369 A 39 ILE HG2% A 60 TRP HH2 1.0 1.8 4.28 400 370 A 54 PHE HE% A 39 ILE HG2% 1.0 1.8 3.90 401 371 A 60 TRP HZ2 A 39 ILE HG2% 1.0 1.8 4.59 402 372 A 12 LEU HD2% A 11 PRO HGy 1.0 1.8 4.62 403 373 A 12 LEU HD2% A 11 PRO HGx 1.0 1.8 4.62 404 374 A 81 LEU H A 81 LEU HD2% 1.0 1.8 5.19 405 375 A 52 LEU HD1% A 18 GLN HBy 1.0 1.8 4.48 406 376 A 17 LEU HD2% A 62 ARG HDx 1.0 1.8 4.95 407 377 A 37 VAL HG1% A 61 ALA HB% 1.0 1.8 4.57 408 378 A 37 VAL HG1% A 65 VAL HG2% 1.0 1.8 3.92 409 379 A 37 VAL HG1% A 64 ARG HBy 1.0 1.8 4.73 410 380 A 37 VAL HG1% A 64 ARG HBx 1.0 1.8 4.73 411 381 A 37 VAL HG1% A 64 ARG HDx 1.0 1.8 4.65 412 381 A 64 ARG HDy A 37 VAL HG1% 1.0 1.8 4.65 413 382 A 37 VAL HG1% A 60 TRP HH2 1.0 1.8 5.47 414 383 A 37 VAL HG1% A 60 TRP HZ3 1.0 1.8 4.65 415 384 A 37 VAL HG2% A 64 ARG HDx 1.0 1.8 4.96 416 384 A 64 ARG HDy A 37 VAL HG2% 1.0 1.8 4.96 417 385 A 25 VAL HG1% A 48 ILE HD1% 1.0 1.8 4.44 418 386 A 25 VAL HG2% A 48 ILE HD1% 1.0 1.8 3.92 419 387 A 21 LEU HG A 48 ILE HD1% 1.0 1.8 3.97 420 388 A 48 ILE HD1% A 22 THR HA 1.0 1.8 3.93 421 389 A 30 TRP HZ2 A 48 ILE HD1% 1.0 1.8 4.50 422 390 A 48 ILE HD1% A 30 TRP HH2 1.0 1.8 4.48 423 391 A 68 ILE HG2% A 33 LEU HD1% 1.0 1.8 5.98 424 392 A 28 TYR HE% A 68 ILE HG2% 1.0 1.8 4.17 425 393 A 42 PHE HE% A 21 LEU HD1% 1.0 1.8 4.65 426 394 A 21 LEU HD1% A 42 PHE HZ 1.0 1.8 4.39 427 395 A 69 TYR HD% A 70 LEU HD2% 1.0 1.8 4.36 428 396 A 48 ILE HG2% A 18 GLN HGx 1.0 1.8 4.80 429 397 A 18 GLN HA A 48 ILE HG2% 1.0 1.8 5.03 430 398 A 52 LEU HA A 55 LEU HD1% 1.0 1.8 4.40 431 399 A 42 PHE HZ A 55 LEU HD1% 1.0 1.8 4.63 432 400 A 15 ILE HG2% A 20 LEU HBy 1.0 1.8 4.40 433 401 A 20 LEU HBy A 17 LEU HA 1.0 1.8 4.93 434 402 A 20 LEU HBx A 17 LEU HA 1.0 1.8 4.74 435 403 A 33 LEU HD1% A 24 LEU HD2% 1.0 1.8 5.13 436 404 A 72 LEU HBx A 24 LEU HD2% 1.0 1.8 5.44 437 405 A 68 ILE HB A 24 LEU HD2% 1.0 1.8 5.06 438 406 A 24 LEU HD2% A 69 TYR HBx 1.0 1.8 5.35 439 407 A 24 LEU HD2% A 69 TYR HBy 1.0 1.8 4.76 440 408 A 69 TYR HA A 24 LEU HD2% 1.0 1.8 3.71 441 409 A 28 TYR HD% A 24 LEU HD2% 1.0 1.8 4.38 442 410 A 69 TYR HD% A 24 LEU HD2% 1.0 1.8 4.15 443 411 A 28 TYR HE% A 24 LEU HD2% 1.0 1.8 3.96 444 412 A 24 LEU HD2% A 69 TYR H 1.0 1.8 4.98 445 413 A 42 PHE HE% A 37 VAL HG1% 1.0 1.8 4.77 446 414 A 70 LEU HBy A 67 ASN HA 1.0 1.8 4.23 447 415 A 17 LEU HBy A 16 THR HA 1.0 1.8 5.42 448 416 A 60 TRP HA A 63 GLU HBx 1.0 1.8 4.39 449 416 A 60 TRP HA A 63 GLU HBy 1.0 1.8 4.39 450 417 A 50 SER HA A 53 LYS HBy 1.0 1.8 4.31 451 417 A 53 LYS HBx A 50 SER HA 1.0 1.8 4.31 452 418 A 50 SER HA A 53 LYS HDx 1.0 1.8 4.87 453 418 A 50 SER HA A 53 LYS HDy 1.0 1.8 4.87 454 419 A 64 ARG HA A 67 ASN HBy 1.0 1.8 4.62 455 420 A 45 ASP HA A 46 PRO HDy 1.0 1.8 4.15 456 421 A 42 PHE HBy A 34 SER HBx 1.0 1.8 5.40 457 422 A 72 LEU HD2% A 24 LEU HA 1.0 1.8 5.92 458 423 A 28 TYR HD% A 24 LEU HA 1.0 1.8 4.69 459 424 A 35 TYR HD% A 32 GLU HA 1.0 1.8 4.60 460 425 A 28 TYR HE% A 24 LEU HA 1.0 1.8 4.79 461 426 A 30 TRP HA A 33 LEU HBx 1.0 1.8 5.06 462 427 A 30 TRP HA A 33 LEU HBy 1.0 1.8 4.54 463 428 A 19 LYS HA A 22 THR HB 1.0 1.8 4.32 464 429 A 23 GLU HA A 22 THR HG2% 1.0 1.8 5.14 465 430 A 63 GLU HA A 66 GLU H 1.0 1.8 4.79 466 431 A 69 TYR HA A 72 LEU H 1.0 1.8 5.16 467 432 A 69 TYR HA A 72 LEU HBy 1.0 1.8 4.99 468 433 A 70 LEU HD2% A 69 TYR HA 1.0 1.8 5.53 469 434 A 21 LEU HD2% A 48 ILE HA 1.0 1.8 4.46 470 435 A 48 ILE HA A 30 TRP HH2 1.0 1.8 4.41 471 436 A 30 TRP HZ2 A 48 ILE HA 1.0 1.8 5.27 472 437 A 49 LYS HA A 52 LEU HD1% 1.0 1.8 4.30 473 438 A 49 LYS HA A 48 ILE HG2% 1.0 1.8 4.68 474 439 A 66 GLU HA A 69 TYR HBx 1.0 1.8 4.96 475 440 A 36 MET HBy A 33 LEU HA 1.0 1.8 4.74 476 441 A 52 LEU HA A 55 LEU HG 1.0 1.8 5.35 477 442 A 21 LEU HA A 20 LEU HD2% 1.0 1.8 4.60 478 443 A 69 TYR HD% A 70 LEU HA 1.0 1.8 4.99 479 444 A 26 GLU HA A 25 VAL HG1% 1.0 1.8 5.01 480 445 A 10 ASN HBx A 11 PRO HDx 1.0 1.8 5.53 481 446 A 10 ASN HBy A 11 PRO HDy 1.0 1.8 5.53 482 447 A 10 ASN HBy A 11 PRO HDx 1.0 1.8 5.53 483 448 A 18 GLN HA A 52 LEU HD1% 1.0 1.8 4.19 484 449 A 68 ILE HA A 71 LYS HDx 1.0 1.8 4.91 485 449 A 68 ILE HA A 71 LYS HDy 1.0 1.8 4.91 486 450 A 68 ILE HA A 71 LYS HBx 1.0 1.8 3.97 487 450 A 71 LYS HBy A 68 ILE HA 1.0 1.8 3.97 488 451 A 55 LEU HA A 58 THR HB 1.0 1.8 5.07 489 452 A 55 LEU HA A 61 ALA HB% 1.0 1.8 5.17 490 453 A 54 PHE HD% A 55 LEU HA 1.0 1.8 5.12 491 454 A 65 VAL HA A 68 ILE H 1.0 1.8 4.54 492 455 A 68 ILE HB A 65 VAL HA 1.0 1.8 4.30 493 456 A 62 ARG HA A 65 VAL HB 1.0 1.8 4.73 494 457 A 65 VAL HG1% A 62 ARG HA 1.0 1.8 4.87 495 458 A 21 LEU HG A 22 THR HA 1.0 1.8 5.22 496 459 A 25 VAL HG2% A 22 THR HA 1.0 1.8 5.13 497 460 A 34 SER HA A 42 PHE HBy 1.0 1.8 5.29 498 461 A 34 SER HA A 42 PHE HBx 1.0 1.8 5.29 499 462 A 42 PHE HBy A 34 SER HBy 1.0 1.8 5.40 500 463 A 32 GLU HA A 35 TYR HBx 1.0 1.8 5.32 501 464 A 71 LYS HA A 74 ARG HDx 1.0 1.8 4.60 502 464 A 71 LYS HA A 74 ARG HDy 1.0 1.8 4.60 503 465 A 60 TRP HZ3 A 64 ARG HDx 1.0 1.8 4.98 504 465 A 64 ARG HDy A 60 TRP HZ3 1.0 1.8 4.98 505 466 A 69 TYR HE% A 20 LEU HA 1.0 1.8 4.91 506 467 A 20 LEU HA A 23 GLU HBy 1.0 1.8 5.21 507 468 A 20 LEU HA A 23 GLU HBx 1.0 1.8 5.21 508 469 A 20 LEU HA A 15 ILE HG2% 1.0 1.8 4.36 509 470 A 37 VAL HG1% A 61 ALA HA 1.0 1.8 5.03 510 471 A 61 ALA HA A 60 TRP HE3 1.0 1.8 4.75 511 472 A 61 ALA HA A 60 TRP HZ3 1.0 1.8 5.41 512 473 A 66 GLU HA A 69 TYR HBy 1.0 1.8 5.22 513 474 A 24 LEU HD1% A 69 TYR HBx 1.0 1.8 4.85 514 475 A 24 LEU HD1% A 69 TYR HBy 1.0 1.8 4.59 515 476 A 72 LEU HA A 75 HIS HBy 1.0 1.8 5.12 516 477 A 72 LEU HA A 75 HIS HBx 1.0 1.8 5.12 517 478 A 17 LEU HD2% A 62 ARG HDy 1.0 1.8 4.95 518 479 A 17 LEU HD1% A 62 ARG HDy 1.0 1.8 5.51 519 480 A 17 LEU HD1% A 62 ARG HDx 1.0 1.8 5.51 520 481 A 32 GLU HA A 35 TYR HBy 1.0 1.8 5.32 521 482 A 45 ASP HA A 46 PRO HDx 1.0 1.8 4.15 522 483 A 72 LEU HD2% A 27 HIS HBy 1.0 1.8 5.38 523 484 A 24 LEU HD2% A 27 HIS HBy 1.0 1.8 5.71 524 485 A 72 LEU HD2% A 27 HIS HBx 1.0 1.8 5.38 525 486 A 51 SER HA A 41 CYS HBy 1.0 1.8 6.05 526 487 A 51 SER HA A 41 CYS HBx 1.0 1.8 6.05 527 488 A 61 ALA HB% A 58 THR HB 1.0 1.8 4.48 528 489 A 32 GLU HBy A 28 TYR HBx 1.0 1.8 5.51 529 490 A 28 TYR HBx A 32 GLU HBx 1.0 1.8 5.51 530 491 A 36 MET HE% A 28 TYR HBx 1.0 1.8 5.53 531 492 A 11 PRO HDy A 10 ASN HBx 1.0 1.8 5.53 532 493 A 39 ILE HA A 40 ASN HBy 1.0 1.8 5.50 533 494 A 39 ILE HA A 40 ASN HBx 1.0 1.8 5.50 534 495 A 20 LEU HD1% A 66 GLU HGy 1.0 1.8 4.89 535 496 A 20 LEU HD1% A 66 GLU HGx 1.0 1.8 4.89 536 497 A 69 TYR HE% A 23 GLU HGx 1.0 1.8 5.33 537 498 A 69 TYR HE% A 23 GLU HGy 1.0 1.8 5.33 538 499 A 28 TYR HD% A 32 GLU HGx 1.0 1.8 5.47 539 500 A 28 TYR HD% A 32 GLU HGy 1.0 1.8 5.47 540 501 A 36 MET HE% A 32 GLU HGy 1.0 1.8 5.17 541 502 A 22 THR HG2% A 26 GLU HGy 1.0 1.8 5.36 542 503 A 22 THR HG2% A 26 GLU HGx 1.0 1.8 5.36 543 504 A 36 MET HBy A 37 VAL HG2% 1.0 1.8 5.22 544 505 A 8 GLN H A 8 GLN HGx 1.0 1.8 5.18 545 505 A 8 GLN HGy A 8 GLN H 1.0 1.8 5.18 546 506 A 9 ASN H A 8 GLN HGx 1.0 1.8 5.32 547 506 A 8 GLN HGy A 9 ASN H 1.0 1.8 5.32 548 507 A 23 GLU HA A 26 GLU HBx 1.0 1.8 4.69 549 508 A 69 TYR HE% A 23 GLU HBx 1.0 1.8 4.73 550 509 A 52 LEU HD1% A 18 GLN HGx 1.0 1.8 4.72 551 510 A 52 LEU HD1% A 18 GLN HGy 1.0 1.8 4.72 552 511 A 48 ILE HG2% A 18 GLN HGy 1.0 1.8 4.80 553 512 A 69 TYR HD% A 24 LEU HG 1.0 1.8 4.84 554 513 A 20 LEU HD2% A 65 VAL HB 1.0 1.8 5.59 555 514 A 55 LEU HD2% A 65 VAL HB 1.0 1.8 5.81 556 515 A 21 LEU HA A 24 LEU HBy 1.0 1.8 5.28 557 516 A 21 LEU HA A 24 LEU HBx 1.0 1.8 5.28 558 517 A 72 LEU HD1% A 24 LEU HD2% 1.0 1.8 4.72 559 518 A 68 ILE HG2% A 72 LEU HD1% 1.0 1.8 5.43 560 519 A 30 TRP HE3 A 33 LEU HD1% 1.0 1.8 5.03 561 520 A 69 TYR HE% A 15 ILE HG2% 1.0 1.8 4.77 562 521 A 19 LYS HA A 15 ILE HG2% 1.0 1.8 5.82 563 522 A 52 LEU HD2% A 18 GLN HGy 1.0 1.8 5.74 564 523 A 52 LEU HD2% A 18 GLN HGx 1.0 1.8 5.74 565 524 A 52 LEU HD2% A 17 LEU HG 1.0 1.8 3.52 566 525 A 21 LEU HD2% A 52 LEU HD2% 1.0 1.8 3.98 567 526 A 18 GLN HA A 52 LEU HD2% 1.0 1.8 3.99 568 527 A 37 VAL HB A 68 ILE HD1% 1.0 1.8 5.24 569 528 A 68 ILE HD1% A 36 MET HBy 1.0 1.8 4.54 570 529 A 68 ILE HD1% A 33 LEU HD2% 1.0 1.8 4.82 571 530 A 52 LEU HA A 17 LEU HD2% 1.0 1.8 4.51 572 531 A 39 ILE HD1% A 37 VAL HG1% 1.0 1.8 4.10 573 532 A 17 LEU HD1% A 20 LEU HBx 1.0 1.8 3.89 574 533 A 20 LEU HD2% A 17 LEU HD1% 1.0 1.8 3.65 575 534 A 68 ILE HG2% A 69 TYR HA 1.0 1.8 5.08 576 535 A 68 ILE HG2% A 69 TYR HBy 1.0 1.8 5.91 577 536 A 68 ILE HG2% A 71 LYS HEx 1.0 1.8 6.05 578 536 A 68 ILE HG2% A 71 LYS HEy 1.0 1.8 6.05 579 537 A 24 LEU HD1% A 33 LEU HD2% 1.0 1.8 4.42 580 538 A 15 ILE HG2% A 20 LEU HBx 1.0 1.8 4.49 581 539 A 17 LEU HD2% A 55 LEU HBx 1.0 1.8 4.95 582 540 A 17 LEU HD2% A 55 LEU HBy 1.0 1.8 4.95 583 541 A 21 LEU HD2% A 52 LEU HG 1.0 1.8 4.52 584 542 A 21 LEU HD2% A 51 SER HBy 1.0 1.8 4.70 585 543 A 55 LEU HD2% A 65 VAL HG2% 1.0 1.8 3.82 586 544 A 39 ILE HD1% A 65 VAL HG2% 1.0 1.8 4.87 587 545 A 65 VAL HG2% A 62 ARG HA 1.0 1.8 4.50 588 546 A 42 PHE HE% A 65 VAL HG2% 1.0 1.8 4.66 589 547 A 42 PHE HZ A 65 VAL HG2% 1.0 1.8 4.26 590 548 A 19 LYS HA A 22 THR HG2% 1.0 1.8 5.06 591 549 A 16 THR H A 15 ILE HG1x 1.0 1.8 5.59 592 550 A 69 TYR HD% A 20 LEU HG 1.0 1.8 5.26 593 551 A 20 LEU HG A 21 LEU HA 1.0 1.8 6.05 594 552 A 73 GLN HA A 72 LEU HG 1.0 1.8 6.05 595 553 A 54 PHE HE% A 39 ILE HB 1.0 1.8 5.78 596 554 A 39 ILE HB A 41 CYS H 1.0 1.8 5.39 597 555 A 53 LYS HEy A 53 LYS HGy 1.0 1.8 4.59 598 555 A 53 LYS HGy A 53 LYS HEx 1.0 1.8 4.59 599 556 A 19 LYS HA A 19 LYS HGy 1.0 1.8 4.64 600 557 A 71 LYS H A 71 LYS HGy 1.0 1.8 5.15 601 558 A 33 LEU HG A 28 TYR HBy 1.0 1.8 5.47 602 559 A 33 LEU HG A 28 TYR HBx 1.0 1.8 5.47 603 560 A 44 LYS HA A 44 LYS HDy 1.0 1.8 5.95 604 561 A 44 LYS HA A 44 LYS HDx 1.0 1.8 5.95 605 562 A 48 ILE HD1% A 25 VAL HB 1.0 1.8 5.09 606 563 A 22 THR HA A 25 VAL HB 1.0 1.8 4.76 607 564 A 25 VAL HG2% A 21 LEU HG 1.0 1.8 4.94 608 565 A 70 LEU HBx A 67 ASN HA 1.0 1.8 5.17 609 566 A 30 TRP HZ2 A 48 ILE HG1y 1.0 1.8 5.13 610 567 A 54 PHE HA A 57 LYS HDx 1.0 1.8 4.57 611 567 A 54 PHE HA A 57 LYS HDy 1.0 1.8 4.57 612 568 A 19 LYS HA A 19 LYS HDx 1.0 1.8 4.77 613 569 A 71 LYS HA A 71 LYS HDx 1.0 1.8 5.30 614 569 A 71 LYS HA A 71 LYS HDy 1.0 1.8 5.30 615 570 A 73 GLN HA A 76 LYS HBx 1.0 1.8 5.28 616 571 A 73 GLN HA A 76 LYS HBy 1.0 1.8 5.28 617 572 A 40 ASN HA A 43 LYS HBy 1.0 1.8 5.03 618 573 A 40 ASN HA A 43 LYS HBx 1.0 1.8 5.03 619 574 A 71 LYS HBx A 71 LYS HDx 1.0 1.8 3.63 620 574 A 71 LYS HBy A 71 LYS HDx 1.0 1.8 3.63 621 574 A 71 LYS HDy A 71 LYS HBx 1.0 1.8 3.63 622 574 A 71 LYS HBy A 71 LYS HDy 1.0 1.8 3.63 623 575 A 75 HIS HA A 74 ARG HBy 1.0 1.8 5.24 624 575 A 74 ARG HBx A 75 HIS HA 1.0 1.8 5.24 625 576 A 28 TYR HBy A 32 GLU HBy 1.0 1.8 5.51 626 577 A 28 TYR HBy A 32 GLU HBx 1.0 1.8 5.51 627 578 A 52 LEU HD1% A 18 GLN HBx 1.0 1.8 4.48 628 579 A 69 TYR HD% A 70 LEU HG 1.0 1.8 5.01 629 580 A 37 VAL HG2% A 64 ARG HBx 1.0 1.8 4.95 630 581 A 37 VAL HG2% A 64 ARG HBy 1.0 1.8 4.95 631 582 A 15 ILE HG2% A 19 LYS HDx 1.0 1.8 6.05 632 583 A 15 ILE HD1% A 19 LYS HDx 1.0 1.8 6.05 633 584 A 15 ILE HG2% A 19 LYS HDy 1.0 1.8 6.05 634 585 A 15 ILE HD1% A 19 LYS HDy 1.0 1.8 6.05 635 586 A 19 LYS HA A 19 LYS HEx 1.0 1.8 5.50 636 586 A 19 LYS HA A 19 LYS HEy 1.0 1.8 5.50 637 587 A 71 LYS HA A 71 LYS HEx 1.0 1.8 6.04 638 587 A 71 LYS HA A 71 LYS HEy 1.0 1.8 6.04 639 588 A 71 LYS HA A 71 LYS HGx 1.0 1.8 3.79 640 589 A 19 LYS HA A 19 LYS HGx 1.0 1.8 4.64 641 590 A 71 LYS HA A 71 LYS HGy 1.0 1.8 3.79 642 591 A 53 LYS HA A 53 LYS HEx 1.0 1.8 6.05 643 591 A 53 LYS HA A 53 LYS HEy 1.0 1.8 6.05 644 592 A 73 GLN HA A 76 LYS HEx 1.0 1.8 5.62 645 592 A 73 GLN HA A 76 LYS HEy 1.0 1.8 5.62 646 593 A 71 LYS HBy A 71 LYS HEx 1.0 1.8 4.18 647 593 A 71 LYS HBx A 71 LYS HEx 1.0 1.8 4.18 648 593 A 71 LYS HEy A 71 LYS HBx 1.0 1.8 4.18 649 593 A 71 LYS HBy A 71 LYS HEy 1.0 1.8 4.18 650 594 A 19 LYS HEy A 19 LYS HGy 1.0 1.8 4.52 651 594 A 19 LYS HGy A 19 LYS HEx 1.0 1.8 4.52 652 595 A 53 LYS HEy A 53 LYS HGx 1.0 1.8 4.59 653 595 A 53 LYS HEx A 53 LYS HGx 1.0 1.8 4.59 654 596 A 43 LYS HA A 43 LYS HDx 1.0 1.8 5.10 655 596 A 43 LYS HA A 43 LYS HDy 1.0 1.8 5.10 656 597 A 19 LYS HEy A 19 LYS HGx 1.0 1.8 4.52 657 597 A 19 LYS HEx A 19 LYS HGx 1.0 1.8 4.52 658 598 A 15 ILE HG2% A 19 LYS HEx 1.0 1.8 5.62 659 598 A 15 ILE HG2% A 19 LYS HEy 1.0 1.8 5.62 660 599 A 49 LYS HA A 49 LYS HDx 1.0 1.8 4.40 661 599 A 49 LYS HA A 49 LYS HDy 1.0 1.8 4.40 662 600 A 70 LEU HG A 67 ASN HA 1.0 1.8 4.86 663 601 A 42 PHE HA A 46 PRO HA 1.0 1.8 5.27 664 602 A 19 LYS HEy A 19 LYS HDy 1.0 1.8 3.31 665 602 A 19 LYS HDy A 19 LYS HEx 1.0 1.8 3.31 666 603 A 19 LYS HEy A 19 LYS HDx 1.0 1.8 3.31 667 603 A 19 LYS HDx A 19 LYS HEx 1.0 1.8 3.31 668 604 A 21 LEU HA A 24 LEU H 1.0 1.8 4.74 669 605 A 69 TYR HD% A 70 LEU HD1% 1.0 1.8 5.37 670 606 A 10 ASN HA A 11 PRO HGx 1.0 1.8 5.67 671 607 A 10 ASN HA A 11 PRO HGy 1.0 1.8 5.67 672 608 A 70 LEU HG A 69 TYR H 1.0 1.8 5.12 673 609 A 51 SER HA A 54 PHE H 1.0 1.8 5.03 674 610 A 54 PHE HD% A 55 LEU HG 1.0 1.8 5.38 675 611 A 17 LEU HD1% A 62 ARG HGx 1.0 1.8 5.44 676 612 A 17 LEU HD1% A 62 ARG HGy 1.0 1.8 5.44 677 613 A 25 VAL HG1% A 22 THR HA 1.0 1.8 5.63 678 614 A 28 TYR HD% A 24 LEU HBy 1.0 1.8 5.82 679 615 A 61 ALA HB% A 60 TRP HE3 1.0 1.8 5.79 680 616 A 39 ILE HG2% A 60 TRP HZ3 1.0 1.8 5.63 681 617 A 30 TRP HZ3 A 21 LEU HD2% 1.0 1.8 5.74 682 618 A 43 LYS H A 41 CYS HA 1.0 1.8 5.21 683 619 A 42 PHE HE% A 21 LEU HD2% 1.0 1.8 5.17 684 620 A 21 LEU HD2% A 30 TRP HH2 1.0 1.8 5.21 685 621 A 45 ASP H A 44 LYS HGx 1.0 1.8 5.49 686 622 A 45 ASP HA A 46 PRO HGy 1.0 1.8 5.73 687 623 A 45 ASP HA A 46 PRO HGx 1.0 1.8 5.73 688 624 A 23 GLU HA A 26 GLU H 1.0 1.8 4.40 689 625 A 23 GLU HA A 26 GLU HBy 1.0 1.8 4.69 690 626 A 20 LEU HD2% A 17 LEU HA 1.0 1.8 4.53 691 627 A 20 LEU HD1% A 17 LEU HA 1.0 1.8 4.48 692 628 A 48 ILE HA A 51 SER H 1.0 1.8 5.52 693 629 A 24 LEU HD1% A 21 LEU HA 1.0 1.8 4.11 694 630 A 56 ARG HA A 17 LEU HD2% 1.0 1.8 5.05 695 631 A 73 GLN H A 70 LEU HA 1.0 1.8 4.70 696 632 A 18 GLN HA A 21 LEU HBx 1.0 1.8 5.46 697 633 A 18 GLN HA A 17 LEU HG 1.0 1.8 5.46 698 634 A 21 LEU HD2% A 18 GLN HA 1.0 1.8 5.54 699 635 A 18 GLN HA A 21 LEU HBy 1.0 1.8 5.46 700 636 A 24 LEU HD1% A 65 VAL HA 1.0 1.8 4.19 701 637 A 24 LEU HD1% A 69 TYR HA 1.0 1.8 5.12 702 638 A 21 LEU HA A 24 LEU HD2% 1.0 1.8 5.69 703 639 A 30 TRP HZ2 A 25 VAL HG1% 1.0 1.8 5.07 704 640 A 58 THR HG2% A 61 ALA HA 1.0 1.8 5.36 705 641 A 37 VAL HG1% A 65 VAL HA 1.0 1.8 5.75 706 642 A 33 LEU HD1% A 24 LEU HBx 1.0 1.8 4.87 707 643 A 24 LEU H A 23 GLU HBx 1.0 1.8 4.40 708 644 A 24 LEU H A 23 GLU HBy 1.0 1.8 4.40 709 645 A 24 LEU HD2% A 27 HIS HBx 1.0 1.8 5.71 710 646 A 54 PHE HD% A 58 THR HB 1.0 1.8 5.28 711 647 A 72 LEU HD1% A 75 HIS HBy 1.0 1.8 5.74 712 648 A 72 LEU HD1% A 75 HIS HBx 1.0 1.8 5.74 713 649 A 65 VAL HG1% A 69 TYR HBy 1.0 1.8 5.14 714 650 A 65 VAL HG1% A 69 TYR HBx 1.0 1.8 6.05 715 651 A 70 LEU HD1% A 69 TYR HBx 1.0 1.8 6.05 716 652 A 18 GLN HA A 17 LEU HD1% 1.0 1.8 4.80 717 653 A 69 TYR HD% A 20 LEU HA 1.0 1.8 5.17 718 654 A 42 PHE HE% A 55 LEU HD1% 1.0 1.8 5.25 719 655 A 42 PHE HE% A 65 VAL HG1% 1.0 1.8 5.71 720 656 A 34 SER HBy A 42 PHE HBx 1.0 1.8 5.40 721 657 A 65 VAL HG1% A 20 LEU HD2% 1.0 1.8 3.67 722 658 A 30 TRP HE3 A 25 VAL HG2% 1.0 1.8 5.32 723 659 A 39 ILE HD1% A 37 VAL HG2% 1.0 1.8 4.44 724 660 A 25 VAL HG1% A 30 TRP HD1 1.0 1.8 5.33 725 661 A 60 TRP HZ2 A 61 ALA HB% 1.0 1.8 5.52 726 662 A 64 ARG H A 61 ALA HB% 1.0 1.8 6.05 727 663 A 28 TYR HD% A 72 LEU HD1% 1.0 1.8 5.30 728 664 A 33 LEU HD1% A 25 VAL HG1% 1.0 1.8 5.14 729 665 A 30 TRP HE3 A 33 LEU HD2% 1.0 1.8 5.71 730 666 A 58 THR HG2% A 62 ARG H 1.0 1.8 5.26 731 667 A 42 PHE HD% A 37 VAL HG1% 1.0 1.8 5.22 732 668 A 37 VAL HG1% A 64 ARG H 1.0 1.8 6.05 733 669 A 37 VAL HG1% A 64 ARG HE 1.0 1.8 6.05 734 670 A 65 VAL H A 37 VAL HG1% 1.0 1.8 5.44 735 671 A 28 TYR HD% A 68 ILE HG2% 1.0 1.8 5.21 736 672 A 42 PHE HD% A 37 VAL HG2% 1.0 1.8 5.04 737 673 A 37 VAL HG2% A 36 MET H 1.0 1.8 5.22 738 674 A 21 LEU HD1% A 24 LEU H 1.0 1.8 5.31 739 675 A 23 GLU H A 22 THR HG2% 1.0 1.8 4.50 740 676 A 73 GLN H A 72 LEU HG 1.0 1.8 5.42 741 677 A 57 LYS H A 56 ARG HGy 1.0 1.8 5.64 742 678 A 69 TYR HD% A 72 LEU HD2% 1.0 1.8 4.95 743 679 A 72 LEU HD2% A 73 GLN HE22 1.0 1.8 5.29 744 680 A 18 GLN H A 52 LEU HD1% 1.0 1.8 5.20 745 681 A 70 LEU HD1% A 67 ASN HA 1.0 1.8 4.13 746 682 A 72 LEU HD2% A 73 GLN HE21 1.0 1.8 5.29 747 683 A 48 ILE HG2% A 18 GLN HE21 1.0 1.8 5.30 748 684 A 48 ILE HG2% A 18 GLN HE22 1.0 1.8 5.30 749 685 A 56 ARG HE A 56 ARG HBx 1.0 1.8 4.73 750 685 A 56 ARG HBy A 56 ARG HE 1.0 1.8 4.73 751 686 A 44 LYS H A 43 LYS H 1.0 1.8 3.66 752 687 A 19 LYS H A 20 LEU H 1.0 1.8 4.07 753 688 A 19 LYS H A 18 GLN HBy 1.0 1.8 4.58 754 689 A 19 LYS H A 20 LEU HBx 1.0 1.8 5.09 755 690 A 15 ILE HG2% A 19 LYS H 1.0 1.8 5.36 756 691 A 53 LYS H A 56 ARG H 1.0 1.8 6.05 757 692 A 53 LYS H A 50 SER HA 1.0 1.8 4.76 758 693 A 53 LYS H A 52 LEU HBx 1.0 1.8 4.43 759 694 A 68 ILE HA A 71 LYS H 1.0 1.8 4.94 760 695 A 70 LEU HBx A 71 LYS H 1.0 1.8 4.71 761 696 A 71 LYS H A 71 LYS HGx 1.0 1.8 5.15 762 697 A 70 LEU HD2% A 71 LYS H 1.0 1.8 5.22 763 698 A 70 LEU HBy A 71 LYS H 1.0 1.8 4.06 764 699 A 58 THR HG2% A 60 TRP HE1 1.0 1.8 3.90 765 700 A 48 ILE HD1% A 30 TRP HE1 1.0 1.8 5.19 766 701 A 25 VAL HG1% A 30 TRP HE1 1.0 1.8 4.11 767 702 A 58 THR HG2% A 59 ASP H 1.0 1.8 4.49 768 703 A 30 TRP HZ2 A 48 ILE H 1.0 1.8 4.80 769 704 A 48 ILE H A 47 SER HBy 1.0 1.8 4.65 770 705 A 48 ILE H A 47 SER HBx 1.0 1.8 4.65 771 706 A 4 ILE HB A 5 MET H 1.0 1.8 5.31 772 707 A 4 ILE HG2% A 5 MET H 1.0 1.8 5.18 773 708 A 62 ARG H A 61 ALA H 1.0 1.8 3.97 774 709 A 58 THR HG2% A 61 ALA H 1.0 1.8 3.85 775 710 A 7 GLN H A 6 THR HA 1.0 1.8 3.67 776 711 A 22 THR HB A 22 THR H 1.0 1.8 3.98 777 712 A 4 ILE HB A 4 ILE H 1.0 1.8 4.35 778 713 A 15 ILE HB A 15 ILE H 1.0 1.8 3.76 779 714 A 25 VAL H A 25 VAL HB 1.0 1.8 3.71 780 715 A 37 VAL HB A 37 VAL H 1.0 1.8 4.46 781 716 A 48 ILE HB A 48 ILE H 1.0 1.8 3.96 782 717 A 58 THR HB A 58 THR H 1.0 1.8 4.26 783 718 A 61 ALA HB% A 61 ALA H 1.0 1.8 3.65 784 719 A 65 VAL H A 65 VAL HB 1.0 1.8 3.73 785 720 A 68 ILE HB A 68 ILE H 1.0 1.8 3.72 786 721 A 3 LEU H A 3 LEU HBx 1.0 1.8 4.10 787 721 A 3 LEU H A 3 LEU HBy 1.0 1.8 4.10 788 722 A 8 GLN H A 8 GLN HBy 1.0 1.8 4.33 789 723 A 9 ASN H A 9 ASN HBy 1.0 1.8 4.09 790 724 A 12 LEU H A 12 LEU HBy 1.0 1.8 4.20 791 725 A 13 HIS H A 13 HIS HBy 1.0 1.8 3.54 792 726 A 17 LEU HBx A 17 LEU H 1.0 1.8 3.99 793 727 A 18 GLN H A 18 GLN HBy 1.0 1.8 3.93 794 728 A 19 LYS H A 18 GLN HBx 1.0 1.8 4.58 795 729 A 20 LEU HBx A 20 LEU H 1.0 1.8 3.82 796 730 A 21 LEU H A 21 LEU HBy 1.0 1.8 3.92 797 731 A 24 LEU H A 24 LEU HBy 1.0 1.8 4.49 798 732 A 26 GLU H A 26 GLU HBy 1.0 1.8 4.00 799 733 A 27 HIS H A 27 HIS HBy 1.0 1.8 3.94 800 734 A 28 TYR H A 28 TYR HBy 1.0 1.8 4.54 801 735 A 30 TRP H A 30 TRP HBy 1.0 1.8 4.53 802 736 A 31 GLU H A 31 GLU HBy 1.0 1.8 4.04 803 737 A 32 GLU H A 32 GLU HBy 1.0 1.8 4.10 804 738 A 35 TYR H A 35 TYR HBy 1.0 1.8 3.89 805 739 A 36 MET HBy A 36 MET H 1.0 1.8 4.26 806 740 A 40 ASN H A 40 ASN HBy 1.0 1.8 4.06 807 741 A 43 LYS H A 43 LYS HBy 1.0 1.8 4.19 808 742 A 44 LYS H A 44 LYS HBy 1.0 1.8 3.98 809 743 A 49 LYS H A 49 LYS HBy 1.0 1.8 3.93 810 744 A 50 SER H A 50 SER HBy 1.0 1.8 4.10 811 745 A 54 PHE H A 54 PHE HBy 1.0 1.8 4.04 812 746 A 55 LEU H A 55 LEU HBy 1.0 1.8 4.57 813 747 A 57 LYS H A 57 LYS HBy 1.0 1.8 4.10 814 748 A 59 ASP H A 59 ASP HBy 1.0 1.8 4.08 815 749 A 60 TRP H A 60 TRP HBy 1.0 1.8 4.35 816 750 A 62 ARG H A 62 ARG HBy 1.0 1.8 4.14 817 751 A 64 ARG H A 64 ARG HBy 1.0 1.8 4.46 818 752 A 66 GLU H A 66 GLU HBy 1.0 1.8 4.23 819 753 A 67 ASN H A 67 ASN HBy 1.0 1.8 3.94 820 754 A 69 TYR H A 69 TYR HBx 1.0 1.8 3.99 821 755 A 70 LEU HBy A 70 LEU H 1.0 1.8 3.75 822 756 A 72 LEU HBx A 72 LEU H 1.0 1.8 3.86 823 757 A 75 HIS H A 75 HIS HBy 1.0 1.8 3.82 824 758 A 76 LYS H A 76 LYS HBy 1.0 1.8 4.11 825 759 A 77 GLU H A 77 GLU HBy 1.0 1.8 4.11 826 760 A 78 ARG H A 78 ARG HBy 1.0 1.8 4.11 827 761 A 81 LEU H A 81 LEU HBy 1.0 1.8 4.32 828 762 A 8 GLN H A 8 GLN HBx 1.0 1.8 4.33 829 763 A 9 ASN H A 9 ASN HBx 1.0 1.8 4.09 830 764 A 13 HIS H A 13 HIS HBx 1.0 1.8 3.54 831 765 A 17 LEU HBy A 17 LEU H 1.0 1.8 3.87 832 766 A 18 GLN H A 18 GLN HBx 1.0 1.8 3.93 833 767 A 19 LYS H A 19 LYS HBx 1.0 1.8 4.23 834 768 A 20 LEU HBy A 20 LEU H 1.0 1.8 3.98 835 769 A 21 LEU H A 21 LEU HBx 1.0 1.8 3.92 836 770 A 23 GLU H A 23 GLU HBx 1.0 1.8 4.17 837 771 A 24 LEU H A 24 LEU HBx 1.0 1.8 4.49 838 772 A 26 GLU H A 26 GLU HBx 1.0 1.8 4.00 839 773 A 27 HIS H A 27 HIS HBx 1.0 1.8 3.94 840 774 A 28 TYR H A 28 TYR HBx 1.0 1.8 4.54 841 775 A 30 TRP H A 30 TRP HBx 1.0 1.8 4.53 842 776 A 31 GLU H A 31 GLU HBx 1.0 1.8 4.04 843 777 A 32 GLU H A 31 GLU HBx 1.0 1.8 4.05 844 778 A 33 LEU HBx A 33 LEU H 1.0 1.8 4.21 845 779 A 35 TYR H A 35 TYR HBx 1.0 1.8 3.89 846 780 A 36 MET HBx A 36 MET H 1.0 1.8 4.50 847 781 A 40 ASN H A 40 ASN HBx 1.0 1.8 4.06 848 782 A 43 LYS H A 43 LYS HBx 1.0 1.8 4.19 849 783 A 44 LYS H A 44 LYS HBx 1.0 1.8 3.98 850 784 A 49 LYS H A 49 LYS HBx 1.0 1.8 3.93 851 785 A 52 LEU H A 52 LEU HBx 1.0 1.8 4.29 852 786 A 53 LYS H A 52 LEU HBy 1.0 1.8 4.43 853 787 A 54 PHE H A 54 PHE HBx 1.0 1.8 4.04 854 788 A 55 LEU H A 55 LEU HBx 1.0 1.8 4.57 855 789 A 57 LYS H A 57 LYS HBx 1.0 1.8 4.10 856 790 A 59 ASP H A 59 ASP HBx 1.0 1.8 4.08 857 791 A 60 TRP H A 60 TRP HBx 1.0 1.8 4.35 858 792 A 62 ARG H A 62 ARG HBx 1.0 1.8 4.14 859 793 A 66 GLU H A 66 GLU HBx 1.0 1.8 4.23 860 794 A 69 TYR H A 69 TYR HBy 1.0 1.8 4.04 861 795 A 70 LEU HBx A 70 LEU H 1.0 1.8 4.25 862 796 A 71 LYS H A 71 LYS HBx 1.0 1.8 3.47 863 796 A 71 LYS HBy A 71 LYS H 1.0 1.8 3.47 864 797 A 72 LEU H A 72 LEU HBy 1.0 1.8 3.85 865 798 A 73 GLN H A 73 GLN HBx 1.0 1.8 3.99 866 799 A 74 ARG H A 74 ARG HBy 1.0 1.8 3.51 867 799 A 74 ARG HBx A 74 ARG H 1.0 1.8 3.51 868 800 A 75 HIS H A 75 HIS HBx 1.0 1.8 3.82 869 801 A 76 LYS H A 76 LYS HBx 1.0 1.8 4.11 870 802 A 77 GLU H A 77 GLU HBx 1.0 1.8 4.11 871 803 A 78 ARG H A 78 ARG HBx 1.0 1.8 4.11 872 804 A 79 ASN H A 79 ASN HBx 1.0 1.8 4.16 873 805 A 80 GLN H A 80 GLN HBx 1.0 1.8 4.19 874 806 A 81 LEU H A 81 LEU HBx 1.0 1.8 4.32 875 807 A 82 GLU H A 82 GLU HBx 1.0 1.8 3.62 876 807 A 82 GLU H A 82 GLU HBy 1.0 1.8 3.62 877 808 A 6 THR H A 5 MET H 1.0 1.8 4.83 878 809 A 12 LEU H A 13 HIS H 1.0 1.8 3.92 879 810 A 19 LYS H A 18 GLN H 1.0 1.8 4.31 880 811 A 21 LEU H A 22 THR H 1.0 1.8 4.21 881 812 A 23 GLU H A 24 LEU H 1.0 1.8 3.09 882 813 A 25 VAL H A 26 GLU H 1.0 1.8 3.97 883 814 A 26 GLU H A 27 HIS H 1.0 1.8 4.00 884 815 A 30 TRP H A 29 GLY H 1.0 1.8 4.99 885 816 A 32 GLU H A 33 LEU H 1.0 1.8 4.10 886 817 A 41 CYS H A 40 ASN H 1.0 1.8 4.44 887 818 A 44 LYS H A 45 ASP H 1.0 1.8 5.10 888 819 A 48 ILE H A 49 LYS H 1.0 1.8 4.29 889 820 A 50 SER H A 49 LYS H 1.0 1.8 4.20 890 821 A 53 LYS H A 52 LEU H 1.0 1.8 4.13 891 822 A 53 LYS H A 54 PHE H 1.0 1.8 4.44 892 823 A 56 ARG H A 55 LEU H 1.0 1.8 4.26 893 824 A 56 ARG H A 57 LYS H 1.0 1.8 4.09 894 825 A 59 ASP H A 58 THR H 1.0 1.8 5.27 895 826 A 59 ASP H A 60 TRP H 1.0 1.8 4.60 896 827 A 63 GLU H A 62 ARG H 1.0 1.8 4.18 897 828 A 65 VAL H A 66 GLU H 1.0 1.8 4.11 898 829 A 67 ASN H A 66 GLU H 1.0 1.8 4.07 899 830 A 67 ASN H A 68 ILE H 1.0 1.8 3.99 900 831 A 71 LYS H A 70 LEU H 1.0 1.8 4.20 901 832 A 72 LEU H A 71 LYS H 1.0 1.8 3.85 902 833 A 73 GLN H A 74 ARG H 1.0 1.8 4.02 903 834 A 74 ARG H A 75 HIS H 1.0 1.8 3.95 904 835 A 76 LYS H A 77 GLU H 1.0 1.8 4.77 905 836 A 80 GLN H A 81 LEU H 1.0 1.8 4.58 906 837 A 6 THR H A 5 MET HA 1.0 1.8 3.84 907 838 A 7 GLN HA A 8 GLN H 1.0 1.8 3.59 908 839 A 8 GLN HA A 9 ASN H 1.0 1.8 3.52 909 840 A 14 GLY H A 13 HIS HA 1.0 1.8 3.58 910 841 A 16 THR H A 15 ILE HA 1.0 1.8 3.36 911 842 A 16 THR HA A 17 LEU H 1.0 1.8 3.61 912 843 A 30 TRP HA A 33 LEU H 1.0 1.8 4.81 913 844 A 39 ILE HA A 40 ASN H 1.0 1.8 3.64 914 845 A 45 ASP H A 44 LYS HA 1.0 1.8 3.39 915 846 A 46 PRO HA A 47 SER H 1.0 1.8 3.39 916 847 A 58 THR HA A 59 ASP H 1.0 1.8 3.45 917 848 A 76 LYS HA A 77 GLU H 1.0 1.8 3.54 918 849 A 77 GLU HA A 78 ARG H 1.0 1.8 3.56 919 850 A 80 GLN HA A 81 LEU H 1.0 1.8 3.90 920 851 A 3 LEU H A 3 LEU HG 1.0 1.8 4.87 921 852 A 12 LEU HG A 12 LEU H 1.0 1.8 4.33 922 853 A 17 LEU HG A 17 LEU H 1.0 1.8 4.81 923 854 A 20 LEU HG A 20 LEU H 1.0 1.8 5.07 924 855 A 21 LEU H A 17 LEU HG 1.0 1.8 5.42 925 856 A 21 LEU HG A 21 LEU H 1.0 1.8 5.78 926 857 A 24 LEU HG A 24 LEU H 1.0 1.8 3.67 927 858 A 33 LEU HBy A 33 LEU H 1.0 1.8 3.70 928 859 A 33 LEU HG A 33 LEU H 1.0 1.8 4.26 929 860 A 52 LEU H A 52 LEU HBy 1.0 1.8 4.29 930 861 A 52 LEU HG A 52 LEU H 1.0 1.8 4.07 931 862 A 55 LEU HG A 55 LEU H 1.0 1.8 4.04 932 863 A 70 LEU HG A 70 LEU H 1.0 1.8 3.83 933 864 A 81 LEU HG A 81 LEU H 1.0 1.8 3.60 934 865 A 4 ILE HG2% A 4 ILE H 1.0 1.8 6.00 935 866 A 16 THR H A 16 THR HG2% 1.0 1.8 3.64 936 867 A 18 GLN H A 18 GLN HGy 1.0 1.8 5.28 937 868 A 22 THR HG2% A 22 THR H 1.0 1.8 4.52 938 869 A 23 GLU H A 23 GLU HGy 1.0 1.8 4.20 939 870 A 25 VAL HG2% A 25 VAL H 1.0 1.8 3.67 940 871 A 26 GLU H A 26 GLU HGy 1.0 1.8 4.39 941 872 A 31 GLU H A 31 GLU HGy 1.0 1.8 4.49 942 873 A 32 GLU H A 32 GLU HGy 1.0 1.8 4.66 943 874 A 36 MET H A 36 MET HGy 1.0 1.8 4.59 944 875 A 37 VAL HG2% A 37 VAL H 1.0 1.8 4.11 945 876 A 43 LYS H A 43 LYS HGy 1.0 1.8 5.03 946 877 A 48 ILE HG2% A 48 ILE H 1.0 1.8 4.73 947 878 A 49 LYS H A 49 LYS HGy 1.0 1.8 5.39 948 879 A 56 ARG H A 56 ARG HBx 1.0 1.8 3.50 949 879 A 56 ARG H A 56 ARG HBy 1.0 1.8 3.50 950 880 A 57 LYS H A 57 LYS HGy 1.0 1.8 4.77 951 881 A 58 THR HG2% A 58 THR H 1.0 1.8 4.87 952 882 A 62 ARG H A 62 ARG HGy 1.0 1.8 5.51 953 883 A 63 GLU H A 63 GLU HGy 1.0 1.8 4.65 954 884 A 64 ARG H A 64 ARG HGy 1.0 1.8 4.05 955 885 A 65 VAL H A 65 VAL HG2% 1.0 1.8 3.75 956 886 A 66 GLU H A 66 GLU HGy 1.0 1.8 4.32 957 887 A 68 ILE HG2% A 68 ILE H 1.0 1.8 4.39 958 888 A 73 GLN H A 73 GLN HGy 1.0 1.8 4.69 959 889 A 74 ARG H A 74 ARG HGy 1.0 1.8 4.40 960 890 A 77 GLU H A 77 GLU HGy 1.0 1.8 4.62 961 891 A 82 GLU H A 82 GLU HGy 1.0 1.8 4.57 962 892 A 8 GLN H A 7 GLN HGy 1.0 1.8 5.30 963 892 A 7 GLN HGx A 8 GLN H 1.0 1.8 5.30 964 893 A 26 GLU H A 26 GLU HGx 1.0 1.8 4.39 965 894 A 31 GLU H A 31 GLU HGx 1.0 1.8 4.49 966 895 A 32 GLU H A 32 GLU HGx 1.0 1.8 4.66 967 896 A 36 MET H A 36 MET HGx 1.0 1.8 4.59 968 897 A 43 LYS H A 43 LYS HGx 1.0 1.8 5.03 969 898 A 49 LYS H A 49 LYS HGx 1.0 1.8 5.39 970 899 A 56 ARG H A 56 ARG HGx 1.0 1.8 4.61 971 900 A 57 LYS H A 57 LYS HGx 1.0 1.8 4.77 972 901 A 62 ARG H A 62 ARG HGx 1.0 1.8 5.51 973 902 A 63 GLU H A 63 GLU HGx 1.0 1.8 4.65 974 903 A 64 ARG H A 64 ARG HGx 1.0 1.8 4.05 975 904 A 66 GLU H A 66 GLU HGx 1.0 1.8 4.32 976 905 A 73 GLN H A 73 GLN HBy 1.0 1.8 3.99 977 906 A 74 ARG H A 74 ARG HGx 1.0 1.8 4.40 978 907 A 77 GLU H A 77 GLU HGx 1.0 1.8 4.62 979 908 A 80 GLN H A 80 GLN HGy 1.0 1.8 4.55 980 908 A 80 GLN HGx A 80 GLN H 1.0 1.8 4.55 981 909 A 82 GLU H A 82 GLU HGx 1.0 1.8 4.57 982 910 A 4 ILE HD1% A 4 ILE H 1.0 1.8 5.33 983 911 A 12 LEU HD1% A 12 LEU H 1.0 1.8 4.59 984 912 A 15 ILE HD1% A 15 ILE H 1.0 1.8 4.93 985 913 A 17 LEU HD1% A 17 LEU H 1.0 1.8 4.79 986 914 A 20 LEU HD1% A 20 LEU H 1.0 1.8 4.66 987 915 A 17 LEU HD1% A 21 LEU H 1.0 1.8 4.46 988 916 A 24 LEU HD1% A 24 LEU H 1.0 1.8 4.32 989 917 A 28 TYR HD% A 28 TYR H 1.0 1.8 4.60 990 918 A 30 TRP HD1 A 30 TRP H 1.0 1.8 4.57 991 919 A 33 LEU HD1% A 33 LEU H 1.0 1.8 4.81 992 920 A 35 TYR HD% A 35 TYR H 1.0 1.8 4.87 993 921 A 48 ILE HD1% A 48 ILE H 1.0 1.8 4.88 994 922 A 52 LEU HD1% A 52 LEU H 1.0 1.8 4.59 995 923 A 55 LEU HD1% A 55 LEU H 1.0 1.8 4.51 996 924 A 60 TRP HD1 A 60 TRP H 1.0 1.8 4.21 997 925 A 70 LEU HD1% A 70 LEU H 1.0 1.8 4.25 998 926 A 12 LEU HD2% A 12 LEU H 1.0 1.8 4.57 999 927 A 17 LEU HD2% A 17 LEU H 1.0 1.8 4.89 1000 928 A 20 LEU HD2% A 20 LEU H 1.0 1.8 4.73 1001 929 A 21 LEU HD2% A 21 LEU H 1.0 1.8 4.91 1002 930 A 24 LEU HD2% A 24 LEU H 1.0 1.8 4.29 1003 931 A 33 LEU HD2% A 33 LEU H 1.0 1.8 4.91 1004 932 A 42 PHE H A 43 LYS H 1.0 1.8 3.75 1005 933 A 52 LEU HD2% A 52 LEU H 1.0 1.8 4.60 1006 934 A 54 PHE HD% A 54 PHE H 1.0 1.8 4.88 1007 935 A 55 LEU HD2% A 55 LEU H 1.0 1.8 4.86 1008 936 A 69 TYR HD% A 69 TYR H 1.0 1.8 4.77 1009 937 A 70 LEU HD2% A 70 LEU H 1.0 1.8 4.22 1010 938 A 56 ARG H A 56 ARG HDy 1.0 1.8 6.05 1011 939 A 56 ARG H A 56 ARG HDx 1.0 1.8 6.05 1012 940 A 57 LYS H A 56 ARG HGx 1.0 1.8 5.64 1013 941 A 74 ARG H A 74 ARG HDx 1.0 1.8 5.17 1014 941 A 74 ARG HDy A 74 ARG H 1.0 1.8 5.17 1015 942 A 4 ILE HG1y A 4 ILE H 1.0 1.8 5.09 1016 943 A 15 ILE HG1y A 15 ILE H 1.0 1.8 4.61 1017 944 A 39 ILE H A 39 ILE HG1y 1.0 1.8 4.42 1018 945 A 48 ILE H A 48 ILE HG1y 1.0 1.8 4.35 1019 946 A 68 ILE H A 68 ILE HG1y 1.0 1.8 4.31 1020 947 A 4 ILE HG1x A 4 ILE H 1.0 1.8 5.09 1021 948 A 15 ILE HG1x A 15 ILE H 1.0 1.8 4.33 1022 949 A 39 ILE H A 39 ILE HG1x 1.0 1.8 4.42 1023 950 A 48 ILE H A 48 ILE HG1x 1.0 1.8 4.35 1024 951 A 68 ILE H A 68 ILE HG1x 1.0 1.8 4.31 1025 952 A 36 MET HE% A 36 MET H 1.0 1.8 5.41 1026 953 A 25 VAL HG1% A 25 VAL H 1.0 1.8 4.52 1027 954 A 37 VAL HG1% A 37 VAL H 1.0 1.8 4.44 1028 955 A 37 VAL HG2% A 65 VAL H 1.0 1.8 4.62 1029 956 A 54 PHE HD% A 55 LEU H 1.0 1.8 4.94 1030 957 A 52 LEU HA A 55 LEU H 1.0 1.8 4.79 1031 958 A 55 LEU H A 54 PHE HBy 1.0 1.8 4.83 1032 959 A 55 LEU H A 54 PHE HBx 1.0 1.8 4.83 1033 960 A 39 ILE HB A 40 ASN H 1.0 1.8 4.40 1034 961 A 39 ILE HG2% A 40 ASN H 1.0 1.8 4.71 1035 962 A 49 LYS HA A 52 LEU H 1.0 1.8 4.39 1036 963 A 21 LEU HD2% A 52 LEU H 1.0 1.8 4.89 1037 964 A 45 ASP H A 46 PRO HDy 1.0 1.8 4.31 1038 965 A 45 ASP H A 46 PRO HDx 1.0 1.8 4.31 1039 966 A 45 ASP H A 44 LYS HBy 1.0 1.8 5.39 1040 967 A 45 ASP H A 44 LYS HGy 1.0 1.8 5.49 1041 968 A 48 ILE HG2% A 49 LYS H 1.0 1.8 4.38 1042 969 A 48 ILE HB A 49 LYS H 1.0 1.8 3.92 1043 970 A 49 LYS H A 47 SER HBy 1.0 1.8 4.74 1044 971 A 16 THR HG2% A 17 LEU H 1.0 1.8 4.52 1045 972 A 17 LEU H A 16 THR HB 1.0 1.8 4.08 1046 973 A 18 GLN H A 17 LEU H 1.0 1.8 4.17 1047 974 A 20 LEU HBy A 21 LEU H 1.0 1.8 4.41 1048 975 A 20 LEU HD2% A 21 LEU H 1.0 1.8 4.48 1049 976 A 17 LEU HA A 21 LEU H 1.0 1.8 5.08 1050 977 A 61 ALA H A 60 TRP H 1.0 1.8 4.31 1051 978 A 59 ASP HBy A 60 TRP H 1.0 1.8 4.29 1052 979 A 58 THR HG2% A 60 TRP H 1.0 1.8 4.59 1053 980 A 60 TRP H A 59 ASP HBx 1.0 1.8 4.29 1054 981 A 69 TYR HBy A 70 LEU H 1.0 1.8 4.85 1055 982 A 69 TYR HBx A 70 LEU H 1.0 1.8 4.48 1056 983 A 69 TYR HD% A 70 LEU H 1.0 1.8 4.88 1057 984 A 28 TYR H A 29 GLY H 1.0 1.8 3.87 1058 985 A 28 TYR H A 27 HIS HBy 1.0 1.8 4.59 1059 986 A 25 VAL HA A 28 TYR H 1.0 1.8 4.32 1060 987 A 28 TYR H A 27 HIS HBx 1.0 1.8 4.59 1061 988 A 18 GLN H A 16 THR HB 1.0 1.8 4.23 1062 989 A 18 GLN H A 16 THR HA 1.0 1.8 5.14 1063 990 A 17 LEU HBx A 18 GLN H 1.0 1.8 4.29 1064 991 A 18 GLN H A 16 THR HG2% 1.0 1.8 4.97 1065 992 A 18 GLN H A 52 LEU HD2% 1.0 1.8 4.47 1066 993 A 33 LEU HBy A 34 SER H 1.0 1.8 4.42 1067 994 A 33 LEU HBx A 34 SER H 1.0 1.8 4.73 1068 995 A 35 TYR H A 34 SER H 1.0 1.8 4.37 1069 996 A 66 GLU H A 65 VAL HB 1.0 1.8 4.15 1070 997 A 65 VAL HG2% A 66 GLU H 1.0 1.8 4.58 1071 998 A 65 VAL HG1% A 66 GLU H 1.0 1.8 4.43 1072 999 A 20 LEU HD1% A 66 GLU H 1.0 1.8 5.31 1073 1000 A 25 VAL H A 24 LEU HBy 1.0 1.8 4.70 1074 1001 A 25 VAL H A 24 LEU HBx 1.0 1.8 4.70 1075 1002 A 22 THR HA A 25 VAL H 1.0 1.8 4.98 1076 1003 A 21 LEU HA A 25 VAL H 1.0 1.8 5.30 1077 1004 A 24 LEU HD1% A 25 VAL H 1.0 1.8 5.33 1078 1005 A 21 LEU HD1% A 25 VAL H 1.0 1.8 5.16 1079 1006 A 5 MET H A 5 MET HGy 1.0 1.8 5.47 1080 1007 A 5 MET H A 5 MET HGx 1.0 1.8 5.47 1081 1008 A 32 GLU H A 31 GLU H 1.0 1.8 4.13 1082 1009 A 31 GLU H A 30 TRP HBy 1.0 1.8 4.77 1083 1010 A 31 GLU H A 30 TRP HBx 1.0 1.8 4.77 1084 1011 A 14 GLY H A 13 HIS HBy 1.0 1.8 5.30 1085 1012 A 15 ILE H A 14 GLY H 1.0 1.8 3.97 1086 1013 A 36 MET HBy A 37 VAL H 1.0 1.8 4.57 1087 1014 A 36 MET HBx A 37 VAL H 1.0 1.8 4.82 1088 1015 A 38 ASN H A 37 VAL H 1.0 1.8 5.01 1089 1016 A 63 GLU H A 62 ARG HBx 1.0 1.8 4.43 1090 1017 A 63 GLU H A 64 ARG H 1.0 1.8 4.19 1091 1018 A 9 ASN H A 8 GLN HBy 1.0 1.8 5.04 1092 1019 A 9 ASN H A 8 GLN HBx 1.0 1.8 5.04 1093 1020 A 53 LYS HA A 56 ARG H 1.0 1.8 4.75 1094 1021 A 56 ARG H A 55 LEU HBy 1.0 1.8 5.03 1095 1022 A 56 ARG H A 55 LEU HBx 1.0 1.8 5.03 1096 1023 A 17 LEU HD2% A 56 ARG H 1.0 1.8 5.24 1097 1024 A 55 LEU HD1% A 56 ARG H 1.0 1.8 5.22 1098 1025 A 50 SER H A 51 SER H 1.0 1.8 4.03 1099 1026 A 50 SER H A 49 LYS HBy 1.0 1.8 4.33 1100 1027 A 50 SER H A 49 LYS HBx 1.0 1.8 4.33 1101 1028 A 54 PHE HA A 57 LYS H 1.0 1.8 5.17 1102 1029 A 57 LYS H A 58 THR H 1.0 1.8 3.74 1103 1030 A 55 LEU HA A 58 THR H 1.0 1.8 4.77 1104 1031 A 58 THR H A 57 LYS HBy 1.0 1.8 4.71 1105 1032 A 53 LYS H A 53 LYS HDx 1.0 1.8 5.03 1106 1032 A 53 LYS H A 53 LYS HDy 1.0 1.8 5.03 1107 1033 A 40 ASN HA A 43 LYS H 1.0 1.8 4.75 1108 1034 A 52 LEU HA A 54 PHE H 1.0 1.8 4.91 1109 1035 A 54 PHE H A 53 LYS HBy 1.0 1.8 3.88 1110 1035 A 53 LYS HBx A 54 PHE H 1.0 1.8 3.88 1111 1036 A 56 ARG H A 54 PHE H 1.0 1.8 5.42 1112 1037 A 54 PHE H A 55 LEU H 1.0 1.8 4.14 1113 1038 A 32 GLU HA A 35 TYR H 1.0 1.8 4.54 1114 1039 A 33 LEU HA A 35 TYR H 1.0 1.8 5.49 1115 1040 A 36 MET HBy A 35 TYR H 1.0 1.8 5.46 1116 1041 A 36 MET H A 35 TYR H 1.0 1.8 3.88 1117 1042 A 37 VAL H A 35 TYR H 1.0 1.8 5.19 1118 1043 A 16 THR H A 19 LYS HBy 1.0 1.8 5.08 1119 1044 A 16 THR H A 15 ILE HG1y 1.0 1.8 4.93 1120 1045 A 29 GLY H A 28 TYR HBy 1.0 1.8 5.15 1121 1046 A 25 VAL HA A 29 GLY H 1.0 1.8 4.10 1122 1047 A 29 GLY H A 28 TYR HBx 1.0 1.8 5.15 1123 1048 A 25 VAL HG1% A 29 GLY H 1.0 1.8 5.10 1124 1049 A 71 LYS HA A 74 ARG H 1.0 1.8 4.72 1125 1050 A 74 ARG H A 73 GLN HBy 1.0 1.8 5.03 1126 1051 A 72 LEU H A 71 LYS HBx 1.0 1.8 4.02 1127 1051 A 71 LYS HBy A 72 LEU H 1.0 1.8 4.02 1128 1052 A 68 ILE HG2% A 72 LEU H 1.0 1.8 5.36 1129 1053 A 73 GLN H A 72 LEU H 1.0 1.8 3.79 1130 1054 A 39 ILE HD1% A 39 ILE H 1.0 1.8 5.26 1131 1055 A 33 LEU H A 28 TYR HBy 1.0 1.8 5.35 1132 1056 A 33 LEU H A 28 TYR HBx 1.0 1.8 5.35 1133 1057 A 33 LEU H A 32 GLU HGy 1.0 1.8 6.05 1134 1058 A 33 LEU H A 32 GLU HGx 1.0 1.8 6.05 1135 1059 A 33 LEU H A 32 GLU HBy 1.0 1.8 4.52 1136 1060 A 33 LEU H A 32 GLU HBx 1.0 1.8 4.52 1137 1061 A 33 LEU H A 34 SER H 1.0 1.8 4.15 1138 1062 A 55 LEU HD2% A 62 ARG H 1.0 1.8 4.85 1139 1063 A 61 ALA HB% A 62 ARG H 1.0 1.8 4.15 1140 1064 A 62 ARG H A 59 ASP HA 1.0 1.8 5.12 1141 1065 A 23 GLU HA A 27 HIS H 1.0 1.8 4.94 1142 1066 A 27 HIS H A 26 GLU HBy 1.0 1.8 4.30 1143 1067 A 28 TYR H A 27 HIS H 1.0 1.8 4.10 1144 1068 A 33 LEU HA A 36 MET H 1.0 1.8 5.03 1145 1069 A 36 MET H A 35 TYR HBy 1.0 1.8 4.71 1146 1070 A 36 MET H A 37 VAL H 1.0 1.8 4.05 1147 1071 A 73 GLN H A 72 LEU HBx 1.0 1.8 3.79 1148 1072 A 73 GLN H A 72 LEU HBy 1.0 1.8 4.62 1149 1073 A 30 TRP H A 31 GLU H 1.0 1.8 4.29 1150 1074 A 25 VAL HG1% A 30 TRP H 1.0 1.8 4.74 1151 1075 A 75 HIS H A 74 ARG HBy 1.0 1.8 4.08 1152 1075 A 74 ARG HBx A 75 HIS H 1.0 1.8 4.08 1153 1076 A 14 GLY H A 13 HIS H 1.0 1.8 4.58 1154 1077 A 19 LYS HA A 22 THR H 1.0 1.8 4.88 1155 1078 A 41 CYS H A 40 ASN HBy 1.0 1.8 5.15 1156 1079 A 22 THR H A 21 LEU HBy 1.0 1.8 4.41 1157 1080 A 21 LEU HG A 22 THR H 1.0 1.8 5.17 1158 1081 A 22 THR H A 21 LEU HBx 1.0 1.8 4.41 1159 1082 A 48 ILE HD1% A 22 THR H 1.0 1.8 4.69 1160 1083 A 39 ILE HG2% A 41 CYS H 1.0 1.8 5.21 1161 1084 A 39 ILE HA A 41 CYS H 1.0 1.8 5.02 1162 1085 A 42 PHE H A 41 CYS H 1.0 1.8 4.23 1163 1086 A 23 GLU H A 22 THR H 1.0 1.8 4.05 1164 1087 A 65 VAL H A 62 ARG HA 1.0 1.8 4.91 1165 1088 A 55 LEU HD2% A 65 VAL H 1.0 1.8 5.46 1166 1089 A 68 ILE HD1% A 65 VAL H 1.0 1.8 5.49 1167 1090 A 12 LEU H A 11 PRO HDy 1.0 1.8 5.16 1168 1091 A 12 LEU H A 11 PRO HDx 1.0 1.8 5.16 1169 1092 A 12 LEU H A 11 PRO HGx 1.0 1.8 5.20 1170 1093 A 12 LEU H A 10 ASN HA 1.0 1.8 5.22 1171 1094 A 25 VAL H A 24 LEU H 1.0 1.8 4.05 1172 1095 A 81 LEU H A 80 GLN HGy 1.0 1.8 5.37 1173 1095 A 80 GLN HGx A 81 LEU H 1.0 1.8 5.37 1174 1096 A 81 LEU H A 80 GLN HBy 1.0 1.8 4.80 1175 1097 A 81 LEU H A 80 GLN HBx 1.0 1.8 4.80 1176 1098 A 68 ILE H A 67 ASN HBy 1.0 1.8 4.63 1177 1099 A 68 ILE H A 67 ASN HBx 1.0 1.8 4.63 1178 1100 A 82 GLU H A 81 LEU HBy 1.0 1.8 4.88 1179 1101 A 81 LEU HG A 82 GLU H 1.0 1.8 5.60 1180 1102 A 82 GLU H A 81 LEU HBx 1.0 1.8 4.88 1181 1103 A 66 GLU HA A 69 TYR H 1.0 1.8 4.72 1182 1104 A 20 LEU HD1% A 69 TYR H 1.0 1.8 4.95 1183 1105 A 69 TYR H A 70 LEU H 1.0 1.8 4.13 1184 1106 A 20 LEU HA A 23 GLU H 1.0 1.8 5.28 1185 1107 A 6 THR H A 5 MET HBy 1.0 1.8 5.35 1186 1108 A 7 GLN H A 6 THR H 1.0 1.8 4.59 1187 1109 A 76 LYS H A 75 HIS HBx 1.0 1.8 4.75 1188 1110 A 76 LYS H A 75 HIS HBy 1.0 1.8 4.75 1189 1111 A 25 VAL HB A 26 GLU H 1.0 1.8 4.02 1190 1112 A 25 VAL HG1% A 26 GLU H 1.0 1.8 4.59 1191 1113 A 25 VAL HG2% A 26 GLU H 1.0 1.8 4.84 1192 1114 A 17 LEU HA A 20 LEU H 1.0 1.8 4.64 1193 1115 A 15 ILE HG2% A 20 LEU H 1.0 1.8 4.33 1194 1116 A 20 LEU H A 21 LEU H 1.0 1.8 4.13 1195 1117 A 64 ARG HA A 67 ASN H 1.0 1.8 4.89 1196 1118 A 67 ASN H A 63 GLU HA 1.0 1.8 5.44 1197 1119 A 65 VAL HA A 67 ASN H 1.0 1.8 5.48 1198 1120 A 67 ASN H A 66 GLU HBy 1.0 1.8 4.29 1199 1121 A 67 ASN H A 66 GLU HGx 1.0 1.8 5.64 1200 1122 A 10 ASN H A 11 PRO HDy 1.0 1.8 6.05 1201 1123 A 10 ASN H A 11 PRO HDx 1.0 1.8 6.05 1202 1124 A 4 ILE H A 3 LEU HBx 1.0 1.8 5.09 1203 1124 A 4 ILE H A 3 LEU HBy 1.0 1.8 5.09 1204 1125 A 77 GLU H A 76 LYS HBy 1.0 1.8 5.15 1205 1126 A 79 ASN H A 78 ARG HBy 1.0 1.8 4.42 1206 1127 A 79 ASN H A 78 ARG HGy 1.0 1.8 6.05 1207 1128 A 79 ASN H A 78 ARG HGx 1.0 1.8 6.05 1208 1129 A 33 LEU HBy A 32 GLU H 1.0 1.8 5.82 1209 1130 A 36 MET HE% A 32 GLU H 1.0 1.8 6.05 1210 1131 A 38 ASN H A 39 ILE H 1.0 1.8 5.41 1211 1132 A 37 VAL HG2% A 38 ASN H 1.0 1.8 4.85 1212 1133 A 37 VAL HG1% A 38 ASN H 1.0 1.8 4.72 1213 1134 A 52 LEU HD2% A 21 LEU H 1.0 1.8 5.67 1214 1135 A 17 LEU HD2% A 18 GLN H 1.0 1.8 5.32 1215 1136 A 31 GLU H A 29 GLY HAy 1.0 1.8 5.59 1216 1137 A 7 GLN H A 6 THR HG2% 1.0 1.8 5.43 1217 1138 A 56 ARG H A 55 LEU HG 1.0 1.8 5.16 1218 1139 A 51 SER H A 52 LEU H 1.0 1.8 4.08 1219 1140 A 49 LYS HA A 51 SER H 1.0 1.8 4.95 1220 1141 A 52 LEU HG A 51 SER H 1.0 1.8 6.05 1221 1142 A 51 SER H A 53 LYS HBy 1.0 1.8 6.05 1222 1142 A 53 LYS HBx A 51 SER H 1.0 1.8 6.05 1223 1143 A 73 GLN HA A 76 LYS H 1.0 1.8 5.03 1224 1144 A 23 GLU H A 22 THR HB 1.0 1.8 4.29 1225 1145 A 76 LYS H A 75 HIS H 1.0 1.8 4.16 1226 1146 A 27 HIS H A 26 GLU HBx 1.0 1.8 4.30 1227 1147 A 64 ARG H A 61 ALA HA 1.0 1.8 4.46 1228 1148 A 65 VAL H A 64 ARG H 1.0 1.8 4.16 1229 1149 A 37 VAL HG2% A 64 ARG H 1.0 1.8 5.69 1230 1150 A 64 ARG HE A 64 ARG HGy 1.0 1.8 4.58 1231 1151 A 42 PHE H A 39 ILE HG1y 1.0 1.8 5.10 1232 1152 A 42 PHE H A 39 ILE HG1x 1.0 1.8 5.10 1233 1153 A 58 THR H A 57 LYS HGy 1.0 1.8 5.52 1234 1154 A 58 THR H A 57 LYS HGx 1.0 1.8 5.52 1235 1155 A 57 LYS H A 56 ARG HBx 1.0 1.8 3.98 1236 1155 A 56 ARG HBy A 57 LYS H 1.0 1.8 3.98 1237 1156 A 3 LEU H A 2 ALA HB% 1.0 1.8 4.42 1238 1157 A 64 ARG H A 63 GLU HBx 1.0 1.8 3.72 1239 1157 A 63 GLU HBy A 64 ARG H 1.0 1.8 3.72 1240 1158 A 25 VAL HG2% A 29 GLY H 1.0 1.8 5.75 1241 1159 A 33 LEU HD1% A 29 GLY H 1.0 1.8 5.67 1242 1160 A 24 LEU HD1% A 69 TYR H 1.0 1.8 4.09 1243 1161 A 69 TYR HD% A 24 LEU H 1.0 1.8 5.59 1244 1162 A 55 LEU H A 56 ARG HBx 1.0 1.8 5.65 1245 1162 A 56 ARG HBy A 55 LEU H 1.0 1.8 5.65 1246 1163 A 49 LYS H A 47 SER HBx 1.0 1.8 4.74 1247 1164 A 16 THR H A 17 LEU H 1.0 1.8 5.70 1248 1165 A 20 LEU HG A 21 LEU H 1.0 1.8 4.58 1249 1166 A 18 GLN HA A 21 LEU H 1.0 1.8 5.24 1250 1167 A 58 THR HA A 60 TRP H 1.0 1.8 5.43 1251 1168 A 60 TRP HE1 A 60 TRP H 1.0 1.8 5.72 1252 1169 A 61 ALA HB% A 60 TRP H 1.0 1.8 5.58 1253 1170 A 67 ASN HA A 70 LEU H 1.0 1.8 4.65 1254 1171 A 34 SER H A 42 PHE HBy 1.0 1.8 6.05 1255 1172 A 34 SER H A 42 PHE HBx 1.0 1.8 6.05 1256 1173 A 31 GLU HA A 34 SER H 1.0 1.8 4.39 1257 1174 A 23 GLU HA A 25 VAL H 1.0 1.8 5.58 1258 1175 A 31 GLU H A 29 GLY HAx 1.0 1.8 5.59 1259 1176 A 31 GLU H A 33 LEU H 1.0 1.8 5.51 1260 1177 A 37 VAL H A 36 MET HGy 1.0 1.8 5.49 1261 1178 A 37 VAL H A 36 MET HGx 1.0 1.8 5.49 1262 1179 A 33 LEU HA A 37 VAL H 1.0 1.8 5.70 1263 1180 A 60 TRP HA A 63 GLU H 1.0 1.8 5.46 1264 1181 A 53 LYS H A 51 SER H 1.0 1.8 5.44 1265 1182 A 51 SER H A 49 LYS H 1.0 1.8 5.43 1266 1183 A 80 GLN H A 79 ASN HBx 1.0 1.8 4.40 1267 1184 A 67 ASN H A 66 GLU HGy 1.0 1.8 5.64 1268 1185 A 65 VAL HG1% A 67 ASN H 1.0 1.8 6.05 1269 1186 A 70 LEU HD2% A 67 ASN H 1.0 1.8 6.05 1270 1187 A 22 THR HG2% A 26 GLU H 1.0 1.8 5.51 1271 1188 A 22 THR HA A 26 GLU H 1.0 1.8 5.69 1272 1189 A 6 THR H A 5 MET HBx 1.0 1.8 5.35 1273 1190 A 25 VAL HG2% A 24 LEU H 1.0 1.8 5.51 1274 1191 A 50 SER H A 52 LEU H 1.0 1.8 5.52 1275 1192 A 43 LYS H A 41 CYS H 1.0 1.8 5.30 1276 1193 A 72 LEU HA A 75 HIS H 1.0 1.8 4.92 1277 1194 A 73 GLN H A 71 LYS HA 1.0 1.8 5.17 1278 1195 A 19 LYS H A 16 THR HA 1.0 1.8 5.46 1279 1196 A 19 LYS H A 16 THR HB 1.0 1.8 4.69 1280 1197 A 28 TYR HD% A 29 GLY H 1.0 1.8 5.65 1281 1198 A 58 THR H A 57 LYS HBx 1.0 1.8 4.71 1282 1199 A 60 TRP HD1 A 61 ALA H 1.0 1.8 5.39 1283 1200 A 63 GLU H A 61 ALA H 1.0 1.8 5.60 1284 1201 A 41 CYS H A 40 ASN HBx 1.0 1.8 5.15 1285 1202 A 20 LEU HD2% A 69 TYR H 1.0 1.8 4.93 1286 1203 A 17 LEU HD1% A 62 ARG HE 1.0 1.8 5.40 1287 1204 A 37 VAL HG2% A 64 ARG HE 1.0 1.8 5.91 1288 1205 A 25 VAL HG2% A 30 TRP HE1 1.0 1.8 5.35 1289 1206 A 72 LEU H A 70 LEU H 1.0 1.8 5.60 1290 1207 A 64 ARG H A 66 GLU H 1.0 1.8 5.47 1291 1208 A 44 LYS H A 42 PHE H 1.0 1.8 5.44 1292 1209 A 56 ARG H A 58 THR H 1.0 1.8 5.50 1293 1210 A 69 TYR HE% A 23 GLU H 1.0 1.8 5.96 1294 1211 A 37 VAL HG1% A 39 ILE H 1.0 1.8 4.92 1295 1212 A 32 GLU H A 31 GLU HBy 1.0 1.8 4.05 1296 1213 A 20 LEU HD1% A 21 LEU H 1.0 1.8 5.04 1297 1214 A 36 MET H A 35 TYR HBx 1.0 1.8 4.71 1298 1215 A 4 ILE H A 3 LEU HD2% 1.0 1.8 5.75 1299 1215 A 4 ILE H A 3 LEU HD1% 1.0 1.8 5.75 1300 1216 A 5 MET H A 5 MET HBx 1.0 1.8 4.03 1301 1216 A 5 MET H A 5 MET HBy 1.0 1.8 4.03 1302 1217 A 6 THR H A 5 MET HBx 1.0 1.8 4.65 1303 1217 A 6 THR H A 5 MET HBy 1.0 1.8 4.65 1304 1218 A 7 GLN H A 7 GLN HBx 1.0 1.8 3.90 1305 1218 A 7 GLN H A 7 GLN HBy 1.0 1.8 3.90 1306 1219 A 8 GLN H A 7 GLN HBx 1.0 1.8 4.11 1307 1219 A 8 GLN H A 7 GLN HBy 1.0 1.8 4.11 1308 1220 A 8 GLN H A 8 GLN HBx 1.0 1.8 3.66 1309 1220 A 8 GLN H A 8 GLN HBy 1.0 1.8 3.66 1310 1221 A 9 ASN H A 8 GLN HBx 1.0 1.8 4.36 1311 1221 A 9 ASN H A 8 GLN HBy 1.0 1.8 4.36 1312 1222 A 9 ASN HBy A 9 ASN HD22 1.0 1.8 3.42 1313 1222 A 9 ASN HBx A 9 ASN HD22 1.0 1.8 3.42 1314 1222 A 9 ASN HD21 A 9 ASN HBx 1.0 1.8 3.42 1315 1222 A 9 ASN HBy A 9 ASN HD21 1.0 1.8 3.42 1316 1223 A 10 ASN H A 9 ASN HBx 1.0 1.8 3.83 1317 1223 A 10 ASN H A 9 ASN HBy 1.0 1.8 3.83 1318 1224 A 10 ASN H A 10 ASN HBx 1.0 1.8 3.77 1319 1224 A 10 ASN H A 10 ASN HBy 1.0 1.8 3.77 1320 1225 A 10 ASN H A 11 PRO HDx 1.0 1.8 5.24 1321 1225 A 10 ASN H A 11 PRO HDy 1.0 1.8 5.24 1322 1226 A 10 ASN HA A 11 PRO HGx 1.0 1.8 4.97 1323 1226 A 10 ASN HA A 11 PRO HGy 1.0 1.8 4.97 1324 1227 A 10 ASN HA A 11 PRO HDx 1.0 1.8 3.25 1325 1227 A 10 ASN HA A 11 PRO HDy 1.0 1.8 3.25 1326 1228 A 10 ASN HBx A 11 PRO HDx 1.0 1.8 4.23 1327 1228 A 10 ASN HBy A 11 PRO HDx 1.0 1.8 4.23 1328 1228 A 11 PRO HDy A 10 ASN HBx 1.0 1.8 4.23 1329 1228 A 10 ASN HBy A 11 PRO HDy 1.0 1.8 4.23 1330 1229 A 12 LEU H A 10 ASN HBx 1.0 1.8 5.31 1331 1229 A 12 LEU H A 10 ASN HBy 1.0 1.8 5.31 1332 1230 A 13 HIS H A 10 ASN HBx 1.0 1.8 5.07 1333 1230 A 13 HIS H A 10 ASN HBy 1.0 1.8 5.07 1334 1231 A 10 ASN HBy A 13 HIS HBx 1.0 1.8 5.24 1335 1231 A 10 ASN HBx A 13 HIS HBx 1.0 1.8 5.24 1336 1231 A 13 HIS HBy A 10 ASN HBx 1.0 1.8 5.24 1337 1231 A 10 ASN HBy A 13 HIS HBy 1.0 1.8 5.24 1338 1232 A 12 LEU H A 11 PRO HBy 1.0 1.8 4.50 1339 1232 A 12 LEU H A 11 PRO HBx 1.0 1.8 4.50 1340 1233 A 12 LEU HD2% A 11 PRO HBy 1.0 1.8 4.94 1341 1233 A 12 LEU HD2% A 11 PRO HBx 1.0 1.8 4.94 1342 1234 A 12 LEU H A 11 PRO HGx 1.0 1.8 4.37 1343 1234 A 12 LEU H A 11 PRO HGy 1.0 1.8 4.37 1344 1235 A 12 LEU HG A 11 PRO HGx 1.0 1.8 4.94 1345 1235 A 12 LEU HG A 11 PRO HGy 1.0 1.8 4.94 1346 1236 A 12 LEU HD2% A 11 PRO HGx 1.0 1.8 3.86 1347 1236 A 12 LEU HD2% A 11 PRO HGy 1.0 1.8 3.86 1348 1237 A 12 LEU H A 11 PRO HDx 1.0 1.8 4.46 1349 1237 A 12 LEU H A 11 PRO HDy 1.0 1.8 4.46 1350 1238 A 12 LEU H A 12 LEU HBy 1.0 1.8 3.50 1351 1238 A 12 LEU H A 12 LEU HBx 1.0 1.8 3.50 1352 1239 A 12 LEU HG A 12 LEU HBy 1.0 1.8 2.68 1353 1239 A 12 LEU HG A 12 LEU HBx 1.0 1.8 2.68 1354 1240 A 12 LEU HD1% A 12 LEU HBy 1.0 1.8 3.20 1355 1240 A 12 LEU HD1% A 12 LEU HBx 1.0 1.8 3.20 1356 1241 A 12 LEU HD2% A 12 LEU HBy 1.0 1.8 3.45 1357 1241 A 12 LEU HD2% A 12 LEU HBx 1.0 1.8 3.45 1358 1242 A 13 HIS H A 12 LEU HBy 1.0 1.8 4.43 1359 1242 A 13 HIS H A 12 LEU HBx 1.0 1.8 4.43 1360 1243 A 15 ILE HG2% A 19 LYS HBx 1.0 1.8 3.97 1361 1243 A 15 ILE HG2% A 19 LYS HBy 1.0 1.8 3.97 1362 1244 A 15 ILE HG2% A 19 LYS HGx 1.0 1.8 4.86 1363 1244 A 15 ILE HG2% A 19 LYS HGy 1.0 1.8 4.86 1364 1245 A 16 THR H A 19 LYS HBx 1.0 1.8 4.29 1365 1245 A 16 THR H A 19 LYS HBy 1.0 1.8 4.29 1366 1246 A 17 LEU HD1% A 62 ARG HGx 1.0 1.8 4.76 1367 1246 A 17 LEU HD1% A 62 ARG HGy 1.0 1.8 4.76 1368 1247 A 17 LEU HD1% A 62 ARG HDx 1.0 1.8 4.64 1369 1247 A 17 LEU HD1% A 62 ARG HDy 1.0 1.8 4.64 1370 1248 A 17 LEU HD1% A 66 GLU HGy 1.0 1.8 4.84 1371 1248 A 17 LEU HD1% A 66 GLU HGx 1.0 1.8 4.84 1372 1249 A 17 LEU HD2% A 55 LEU HBy 1.0 1.8 4.35 1373 1249 A 17 LEU HD2% A 55 LEU HBx 1.0 1.8 4.35 1374 1250 A 17 LEU HD2% A 62 ARG HGx 1.0 1.8 4.64 1375 1250 A 17 LEU HD2% A 62 ARG HGy 1.0 1.8 4.64 1376 1251 A 17 LEU HD2% A 62 ARG HDx 1.0 1.8 4.29 1377 1251 A 17 LEU HD2% A 62 ARG HDy 1.0 1.8 4.29 1378 1252 A 18 GLN HA A 18 GLN HGy 1.0 1.8 4.00 1379 1252 A 18 GLN HA A 18 GLN HGx 1.0 1.8 4.00 1380 1253 A 19 LYS H A 18 GLN HBx 1.0 1.8 3.86 1381 1253 A 19 LYS H A 18 GLN HBy 1.0 1.8 3.86 1382 1254 A 52 LEU HD1% A 18 GLN HBx 1.0 1.8 3.79 1383 1254 A 52 LEU HD1% A 18 GLN HBy 1.0 1.8 3.79 1384 1255 A 52 LEU HD2% A 18 GLN HBx 1.0 1.8 5.07 1385 1255 A 52 LEU HD2% A 18 GLN HBy 1.0 1.8 5.07 1386 1256 A 18 GLN HE21 A 18 GLN HGx 1.0 1.8 3.52 1387 1256 A 18 GLN HE22 A 18 GLN HGy 1.0 1.8 3.52 1388 1256 A 18 GLN HE22 A 18 GLN HGx 1.0 1.8 3.52 1389 1256 A 18 GLN HE21 A 18 GLN HGy 1.0 1.8 3.52 1390 1257 A 19 LYS H A 18 GLN HGy 1.0 1.8 5.08 1391 1257 A 19 LYS H A 18 GLN HGx 1.0 1.8 5.08 1392 1258 A 48 ILE HG2% A 18 GLN HGy 1.0 1.8 3.97 1393 1258 A 48 ILE HG2% A 18 GLN HGx 1.0 1.8 3.97 1394 1259 A 52 LEU HD1% A 18 GLN HGy 1.0 1.8 4.10 1395 1259 A 52 LEU HD1% A 18 GLN HGx 1.0 1.8 4.10 1396 1260 A 52 LEU HD2% A 18 GLN HGy 1.0 1.8 4.93 1397 1260 A 52 LEU HD2% A 18 GLN HGx 1.0 1.8 4.93 1398 1261 A 48 ILE HG2% A 18 GLN HE21 1.0 1.8 4.52 1399 1261 A 48 ILE HG2% A 18 GLN HE22 1.0 1.8 4.52 1400 1262 A 52 LEU HD1% A 18 GLN HE21 1.0 1.8 4.96 1401 1262 A 52 LEU HD1% A 18 GLN HE22 1.0 1.8 4.96 1402 1263 A 19 LYS H A 19 LYS HBx 1.0 1.8 3.56 1403 1263 A 19 LYS H A 19 LYS HBy 1.0 1.8 3.56 1404 1264 A 19 LYS H A 19 LYS HGx 1.0 1.8 4.91 1405 1264 A 19 LYS H A 19 LYS HGy 1.0 1.8 4.91 1406 1265 A 19 LYS HA A 19 LYS HGx 1.0 1.8 3.72 1407 1265 A 19 LYS HA A 19 LYS HGy 1.0 1.8 3.72 1408 1266 A 19 LYS HA A 19 LYS HDx 1.0 1.8 3.83 1409 1266 A 19 LYS HA A 19 LYS HDy 1.0 1.8 3.83 1410 1267 A 20 LEU H A 19 LYS HBx 1.0 1.8 4.18 1411 1267 A 20 LEU H A 19 LYS HBy 1.0 1.8 4.18 1412 1268 A 19 LYS HEy A 19 LYS HGx 1.0 1.8 3.59 1413 1268 A 19 LYS HEx A 19 LYS HGx 1.0 1.8 3.59 1414 1268 A 19 LYS HGy A 19 LYS HEx 1.0 1.8 3.59 1415 1268 A 19 LYS HEy A 19 LYS HGy 1.0 1.8 3.59 1416 1269 A 19 LYS HGx A 23 GLU HGy 1.0 1.8 4.42 1417 1269 A 19 LYS HGy A 23 GLU HGy 1.0 1.8 4.42 1418 1269 A 23 GLU HGx A 19 LYS HGx 1.0 1.8 4.42 1419 1269 A 19 LYS HGy A 23 GLU HGx 1.0 1.8 4.42 1420 1270 A 20 LEU HA A 23 GLU HBx 1.0 1.8 4.59 1421 1270 A 20 LEU HA A 23 GLU HBy 1.0 1.8 4.59 1422 1271 A 20 LEU HA A 23 GLU HGy 1.0 1.8 5.22 1423 1271 A 20 LEU HA A 23 GLU HGx 1.0 1.8 5.22 1424 1272 A 20 LEU HD1% A 66 GLU HBx 1.0 1.8 5.43 1425 1272 A 20 LEU HD1% A 66 GLU HBy 1.0 1.8 5.43 1426 1273 A 20 LEU HD1% A 66 GLU HGy 1.0 1.8 4.26 1427 1273 A 20 LEU HD1% A 66 GLU HGx 1.0 1.8 4.26 1428 1274 A 20 LEU HD2% A 66 GLU HGy 1.0 1.8 5.04 1429 1274 A 20 LEU HD2% A 66 GLU HGx 1.0 1.8 5.04 1430 1275 A 21 LEU H A 21 LEU HBy 1.0 1.8 3.37 1431 1275 A 21 LEU H A 21 LEU HBx 1.0 1.8 3.37 1432 1276 A 21 LEU HD1% A 21 LEU HBy 1.0 1.8 3.62 1433 1276 A 21 LEU HD1% A 21 LEU HBx 1.0 1.8 3.62 1434 1277 A 21 LEU HD2% A 51 SER HBx 1.0 1.8 3.96 1435 1277 A 21 LEU HD2% A 51 SER HBy 1.0 1.8 3.96 1436 1278 A 22 THR HG2% A 23 GLU HGy 1.0 1.8 5.30 1437 1278 A 22 THR HG2% A 23 GLU HGx 1.0 1.8 5.30 1438 1279 A 22 THR HG2% A 26 GLU HGy 1.0 1.8 4.41 1439 1279 A 22 THR HG2% A 26 GLU HGx 1.0 1.8 4.41 1440 1280 A 23 GLU HA A 23 GLU HGy 1.0 1.8 3.90 1441 1280 A 23 GLU HA A 23 GLU HGx 1.0 1.8 3.90 1442 1281 A 23 GLU HA A 26 GLU HBx 1.0 1.8 3.78 1443 1281 A 23 GLU HA A 26 GLU HBy 1.0 1.8 3.78 1444 1282 A 72 LEU HD2% A 23 GLU HBx 1.0 1.8 5.87 1445 1282 A 72 LEU HD2% A 23 GLU HBy 1.0 1.8 5.87 1446 1283 A 69 TYR HE% A 23 GLU HGy 1.0 1.8 4.47 1447 1283 A 69 TYR HE% A 23 GLU HGx 1.0 1.8 4.47 1448 1284 A 24 LEU H A 24 LEU HBy 1.0 1.8 3.56 1449 1284 A 24 LEU H A 24 LEU HBx 1.0 1.8 3.56 1450 1285 A 24 LEU HD1% A 24 LEU HBy 1.0 1.8 3.54 1451 1285 A 24 LEU HD1% A 24 LEU HBx 1.0 1.8 3.54 1452 1286 A 25 VAL H A 24 LEU HBy 1.0 1.8 3.98 1453 1286 A 25 VAL H A 24 LEU HBx 1.0 1.8 3.98 1454 1287 A 25 VAL HG2% A 24 LEU HBy 1.0 1.8 5.07 1455 1287 A 25 VAL HG2% A 24 LEU HBx 1.0 1.8 5.07 1456 1288 A 33 LEU HD1% A 24 LEU HBy 1.0 1.8 4.27 1457 1288 A 33 LEU HD1% A 24 LEU HBx 1.0 1.8 4.27 1458 1289 A 33 LEU HD2% A 24 LEU HBy 1.0 1.8 3.65 1459 1289 A 33 LEU HD2% A 24 LEU HBx 1.0 1.8 3.65 1460 1290 A 25 VAL HA A 29 GLY HAx 1.0 1.8 5.15 1461 1290 A 25 VAL HA A 29 GLY HAy 1.0 1.8 5.15 1462 1291 A 25 VAL HG1% A 29 GLY HAx 1.0 1.8 5.24 1463 1291 A 25 VAL HG1% A 29 GLY HAy 1.0 1.8 5.24 1464 1292 A 26 GLU H A 26 GLU HBx 1.0 1.8 3.42 1465 1292 A 26 GLU H A 26 GLU HBy 1.0 1.8 3.42 1466 1293 A 26 GLU H A 26 GLU HGy 1.0 1.8 3.84 1467 1293 A 26 GLU H A 26 GLU HGx 1.0 1.8 3.84 1468 1294 A 26 GLU HA A 26 GLU HGy 1.0 1.8 3.87 1469 1294 A 26 GLU HA A 26 GLU HGx 1.0 1.8 3.87 1470 1295 A 27 HIS H A 26 GLU HGy 1.0 1.8 5.52 1471 1295 A 27 HIS H A 26 GLU HGx 1.0 1.8 5.52 1472 1296 A 28 TYR H A 27 HIS HBx 1.0 1.8 3.89 1473 1296 A 28 TYR H A 27 HIS HBy 1.0 1.8 3.89 1474 1297 A 72 LEU HD2% A 27 HIS HBx 1.0 1.8 4.63 1475 1297 A 72 LEU HD2% A 27 HIS HBy 1.0 1.8 4.63 1476 1298 A 28 TYR H A 28 TYR HBx 1.0 1.8 3.84 1477 1298 A 28 TYR H A 28 TYR HBy 1.0 1.8 3.84 1478 1299 A 28 TYR H A 29 GLY HAx 1.0 1.8 5.47 1479 1299 A 28 TYR H A 29 GLY HAy 1.0 1.8 5.47 1480 1300 A 29 GLY H A 28 TYR HBx 1.0 1.8 4.38 1481 1300 A 29 GLY H A 28 TYR HBy 1.0 1.8 4.38 1482 1301 A 28 TYR HBy A 32 GLU HBx 1.0 1.8 4.04 1483 1301 A 28 TYR HBx A 32 GLU HBx 1.0 1.8 4.04 1484 1301 A 32 GLU HBy A 28 TYR HBx 1.0 1.8 4.04 1485 1301 A 28 TYR HBy A 32 GLU HBy 1.0 1.8 4.04 1486 1302 A 33 LEU H A 28 TYR HBx 1.0 1.8 4.63 1487 1302 A 33 LEU H A 28 TYR HBy 1.0 1.8 4.63 1488 1303 A 33 LEU HG A 28 TYR HBx 1.0 1.8 4.75 1489 1303 A 33 LEU HG A 28 TYR HBy 1.0 1.8 4.75 1490 1304 A 33 LEU HD2% A 28 TYR HBx 1.0 1.8 4.73 1491 1304 A 33 LEU HD2% A 28 TYR HBy 1.0 1.8 4.73 1492 1305 A 36 MET HE% A 28 TYR HBx 1.0 1.8 4.84 1493 1305 A 36 MET HE% A 28 TYR HBy 1.0 1.8 4.84 1494 1306 A 28 TYR HD% A 32 GLU HGy 1.0 1.8 4.77 1495 1306 A 28 TYR HD% A 32 GLU HGx 1.0 1.8 4.77 1496 1307 A 28 TYR HE% A 32 GLU HBx 1.0 1.8 5.87 1497 1307 A 28 TYR HE% A 32 GLU HBy 1.0 1.8 5.87 1498 1308 A 31 GLU H A 29 GLY HAx 1.0 1.8 4.85 1499 1308 A 31 GLU H A 29 GLY HAy 1.0 1.8 4.85 1500 1309 A 30 TRP H A 30 TRP HBx 1.0 1.8 3.85 1501 1309 A 30 TRP H A 30 TRP HBy 1.0 1.8 3.85 1502 1310 A 31 GLU H A 30 TRP HBx 1.0 1.8 4.08 1503 1310 A 31 GLU H A 30 TRP HBy 1.0 1.8 4.08 1504 1311 A 30 TRP HBy A 46 PRO HBy 1.0 1.8 5.05 1505 1311 A 30 TRP HBx A 46 PRO HBy 1.0 1.8 5.05 1506 1311 A 46 PRO HBx A 30 TRP HBx 1.0 1.8 5.05 1507 1311 A 30 TRP HBy A 46 PRO HBx 1.0 1.8 5.05 1508 1312 A 30 TRP HBx A 46 PRO HGx 1.0 1.8 5.13 1509 1312 A 30 TRP HBy A 46 PRO HGx 1.0 1.8 5.13 1510 1312 A 46 PRO HGy A 30 TRP HBx 1.0 1.8 5.13 1511 1312 A 30 TRP HBy A 46 PRO HGy 1.0 1.8 5.13 1512 1313 A 30 TRP HE3 A 42 PHE HBx 1.0 1.8 4.68 1513 1313 A 30 TRP HE3 A 42 PHE HBy 1.0 1.8 4.68 1514 1314 A 30 TRP HE3 A 46 PRO HBy 1.0 1.8 5.87 1515 1314 A 30 TRP HE3 A 46 PRO HBx 1.0 1.8 5.87 1516 1315 A 30 TRP HZ2 A 48 ILE HG1y 1.0 1.8 4.50 1517 1315 A 30 TRP HZ2 A 48 ILE HG1x 1.0 1.8 4.50 1518 1316 A 31 GLU H A 31 GLU HBx 1.0 1.8 3.54 1519 1316 A 31 GLU H A 31 GLU HBy 1.0 1.8 3.54 1520 1317 A 31 GLU HBx A 31 GLU HGy 1.0 1.8 2.60 1521 1317 A 31 GLU HBy A 31 GLU HGy 1.0 1.8 2.60 1522 1317 A 31 GLU HGx A 31 GLU HBx 1.0 1.8 2.60 1523 1317 A 31 GLU HBy A 31 GLU HGx 1.0 1.8 2.60 1524 1318 A 32 GLU H A 31 GLU HBx 1.0 1.8 3.51 1525 1318 A 32 GLU H A 31 GLU HBy 1.0 1.8 3.51 1526 1319 A 32 GLU HA A 31 GLU HBx 1.0 1.8 4.76 1527 1319 A 32 GLU HA A 31 GLU HBy 1.0 1.8 4.76 1528 1320 A 32 GLU H A 32 GLU HBx 1.0 1.8 3.50 1529 1320 A 32 GLU H A 32 GLU HBy 1.0 1.8 3.50 1530 1321 A 32 GLU H A 32 GLU HGy 1.0 1.8 4.04 1531 1321 A 32 GLU H A 32 GLU HGx 1.0 1.8 4.04 1532 1322 A 32 GLU HA A 35 TYR HBx 1.0 1.8 4.53 1533 1322 A 32 GLU HA A 35 TYR HBy 1.0 1.8 4.53 1534 1323 A 36 MET HE% A 32 GLU HBx 1.0 1.8 3.82 1535 1323 A 36 MET HE% A 32 GLU HBy 1.0 1.8 3.82 1536 1324 A 36 MET HE% A 32 GLU HGy 1.0 1.8 4.29 1537 1324 A 36 MET HE% A 32 GLU HGx 1.0 1.8 4.29 1538 1325 A 34 SER H A 34 SER HBx 1.0 1.8 3.75 1539 1325 A 34 SER H A 34 SER HBy 1.0 1.8 3.75 1540 1326 A 34 SER H A 35 TYR HBx 1.0 1.8 5.87 1541 1326 A 34 SER H A 35 TYR HBy 1.0 1.8 5.87 1542 1327 A 34 SER H A 42 PHE HBx 1.0 1.8 5.08 1543 1327 A 34 SER H A 42 PHE HBy 1.0 1.8 5.08 1544 1328 A 35 TYR H A 34 SER HBx 1.0 1.8 4.69 1545 1328 A 35 TYR H A 34 SER HBy 1.0 1.8 4.69 1546 1329 A 34 SER HBy A 42 PHE HBx 1.0 1.8 4.15 1547 1329 A 34 SER HBx A 42 PHE HBx 1.0 1.8 4.15 1548 1329 A 42 PHE HBy A 34 SER HBx 1.0 1.8 4.15 1549 1329 A 42 PHE HBy A 34 SER HBy 1.0 1.8 4.15 1550 1330 A 42 PHE HD% A 34 SER HBx 1.0 1.8 5.38 1551 1330 A 42 PHE HD% A 34 SER HBy 1.0 1.8 5.38 1552 1331 A 34 SER HBy A 43 LYS HGx 1.0 1.8 4.33 1553 1331 A 34 SER HBx A 43 LYS HGx 1.0 1.8 4.33 1554 1331 A 43 LYS HGy A 34 SER HBx 1.0 1.8 4.33 1555 1331 A 34 SER HBy A 43 LYS HGy 1.0 1.8 4.33 1556 1332 A 35 TYR H A 36 MET HGx 1.0 1.8 5.58 1557 1332 A 35 TYR H A 36 MET HGy 1.0 1.8 5.58 1558 1333 A 36 MET H A 35 TYR HBx 1.0 1.8 4.14 1559 1333 A 36 MET H A 35 TYR HBy 1.0 1.8 4.14 1560 1334 A 36 MET H A 36 MET HGx 1.0 1.8 3.90 1561 1334 A 36 MET H A 36 MET HGy 1.0 1.8 3.90 1562 1335 A 36 MET HA A 36 MET HGx 1.0 1.8 3.73 1563 1335 A 36 MET HA A 36 MET HGy 1.0 1.8 3.73 1564 1336 A 37 VAL H A 36 MET HGx 1.0 1.8 4.68 1565 1336 A 37 VAL H A 36 MET HGy 1.0 1.8 4.68 1566 1337 A 37 VAL HG1% A 39 ILE HG1y 1.0 1.8 4.20 1567 1337 A 37 VAL HG1% A 39 ILE HG1x 1.0 1.8 4.20 1568 1338 A 37 VAL HG1% A 64 ARG HBx 1.0 1.8 4.00 1569 1338 A 37 VAL HG1% A 64 ARG HBy 1.0 1.8 4.00 1570 1339 A 37 VAL HG2% A 64 ARG HBx 1.0 1.8 4.30 1571 1339 A 37 VAL HG2% A 64 ARG HBy 1.0 1.8 4.30 1572 1340 A 37 VAL HG2% A 64 ARG HGx 1.0 1.8 4.57 1573 1340 A 37 VAL HG2% A 64 ARG HGy 1.0 1.8 4.57 1574 1341 A 37 VAL HG2% A 68 ILE HG1y 1.0 1.8 5.16 1575 1341 A 37 VAL HG2% A 68 ILE HG1x 1.0 1.8 5.16 1576 1342 A 38 ASN HBx A 38 ASN HD22 1.0 1.8 3.51 1577 1342 A 38 ASN HBy A 38 ASN HD22 1.0 1.8 3.51 1578 1342 A 38 ASN HD21 A 38 ASN HBx 1.0 1.8 3.51 1579 1342 A 38 ASN HBy A 38 ASN HD21 1.0 1.8 3.51 1580 1343 A 40 ASN H A 39 ILE HG1y 1.0 1.8 5.18 1581 1343 A 40 ASN H A 39 ILE HG1x 1.0 1.8 5.18 1582 1344 A 41 CYS H A 39 ILE HG1y 1.0 1.8 5.40 1583 1344 A 41 CYS H A 39 ILE HG1x 1.0 1.8 5.40 1584 1345 A 39 ILE HD1% A 41 CYS HBy 1.0 1.8 5.87 1585 1345 A 39 ILE HD1% A 41 CYS HBx 1.0 1.8 5.87 1586 1346 A 40 ASN H A 40 ASN HBx 1.0 1.8 3.50 1587 1346 A 40 ASN H A 40 ASN HBy 1.0 1.8 3.50 1588 1347 A 40 ASN HA A 40 ASN HD22 1.0 1.8 5.10 1589 1347 A 40 ASN HA A 40 ASN HD21 1.0 1.8 5.10 1590 1348 A 40 ASN HA A 43 LYS HGx 1.0 1.8 4.79 1591 1348 A 40 ASN HA A 43 LYS HGy 1.0 1.8 4.79 1592 1349 A 40 ASN HBx A 40 ASN HD22 1.0 1.8 3.53 1593 1349 A 40 ASN HBy A 40 ASN HD22 1.0 1.8 3.53 1594 1349 A 40 ASN HD21 A 40 ASN HBx 1.0 1.8 3.53 1595 1349 A 40 ASN HBy A 40 ASN HD21 1.0 1.8 3.53 1596 1350 A 41 CYS H A 40 ASN HBx 1.0 1.8 4.27 1597 1350 A 41 CYS H A 40 ASN HBy 1.0 1.8 4.27 1598 1351 A 41 CYS H A 41 CYS HBy 1.0 1.8 3.90 1599 1351 A 41 CYS H A 41 CYS HBx 1.0 1.8 3.90 1600 1352 A 51 SER HA A 41 CYS HBy 1.0 1.8 5.25 1601 1352 A 51 SER HA A 41 CYS HBx 1.0 1.8 5.25 1602 1353 A 42 PHE H A 42 PHE HBx 1.0 1.8 3.95 1603 1353 A 42 PHE H A 42 PHE HBy 1.0 1.8 3.95 1604 1354 A 42 PHE HA A 46 PRO HBy 1.0 1.8 5.87 1605 1354 A 42 PHE HA A 46 PRO HBx 1.0 1.8 5.87 1606 1355 A 43 LYS H A 43 LYS HBx 1.0 1.8 3.63 1607 1355 A 43 LYS H A 43 LYS HBy 1.0 1.8 3.63 1608 1356 A 43 LYS H A 43 LYS HGx 1.0 1.8 4.13 1609 1356 A 43 LYS H A 43 LYS HGy 1.0 1.8 4.13 1610 1357 A 43 LYS HA A 43 LYS HGx 1.0 1.8 3.99 1611 1357 A 43 LYS HA A 43 LYS HGy 1.0 1.8 3.99 1612 1358 A 43 LYS HBx A 43 LYS HEy 1.0 1.8 4.55 1613 1358 A 43 LYS HBy A 43 LYS HEy 1.0 1.8 4.55 1614 1358 A 43 LYS HEx A 43 LYS HBx 1.0 1.8 4.55 1615 1358 A 43 LYS HBy A 43 LYS HEx 1.0 1.8 4.55 1616 1359 A 44 LYS H A 44 LYS HGx 1.0 1.8 4.66 1617 1359 A 44 LYS H A 44 LYS HGy 1.0 1.8 4.66 1618 1360 A 44 LYS HA A 44 LYS HDx 1.0 1.8 5.13 1619 1360 A 44 LYS HA A 44 LYS HDy 1.0 1.8 5.13 1620 1361 A 44 LYS HA A 46 PRO HDx 1.0 1.8 5.04 1621 1361 A 44 LYS HA A 46 PRO HDy 1.0 1.8 5.04 1622 1362 A 44 LYS HBx A 44 LYS HDx 1.0 1.8 2.54 1623 1362 A 44 LYS HBy A 44 LYS HDx 1.0 1.8 2.54 1624 1362 A 44 LYS HDy A 44 LYS HBx 1.0 1.8 2.54 1625 1362 A 44 LYS HDy A 44 LYS HBy 1.0 1.8 2.54 1626 1363 A 45 ASP H A 44 LYS HBx 1.0 1.8 4.43 1627 1363 A 45 ASP H A 44 LYS HBy 1.0 1.8 4.43 1628 1364 A 44 LYS HEy A 44 LYS HGx 1.0 1.8 3.83 1629 1364 A 44 LYS HGy A 44 LYS HEx 1.0 1.8 3.83 1630 1364 A 44 LYS HGy A 44 LYS HEy 1.0 1.8 3.83 1631 1364 A 44 LYS HEx A 44 LYS HGx 1.0 1.8 3.83 1632 1365 A 45 ASP H A 44 LYS HGx 1.0 1.8 4.68 1633 1365 A 45 ASP H A 44 LYS HGy 1.0 1.8 4.68 1634 1366 A 44 LYS HGy A 45 ASP HBy 1.0 1.8 4.92 1635 1366 A 44 LYS HGx A 45 ASP HBy 1.0 1.8 4.92 1636 1366 A 45 ASP HBx A 44 LYS HGx 1.0 1.8 4.92 1637 1366 A 44 LYS HGy A 45 ASP HBx 1.0 1.8 4.92 1638 1367 A 45 ASP H A 44 LYS HDx 1.0 1.8 5.72 1639 1367 A 45 ASP H A 44 LYS HDy 1.0 1.8 5.72 1640 1368 A 45 ASP H A 46 PRO HDx 1.0 1.8 3.77 1641 1368 A 45 ASP H A 46 PRO HDy 1.0 1.8 3.77 1642 1369 A 45 ASP HA A 46 PRO HGx 1.0 1.8 5.03 1643 1369 A 45 ASP HA A 46 PRO HGy 1.0 1.8 5.03 1644 1370 A 45 ASP HA A 46 PRO HDx 1.0 1.8 3.56 1645 1370 A 45 ASP HA A 46 PRO HDy 1.0 1.8 3.56 1646 1371 A 47 SER H A 46 PRO HBy 1.0 1.8 4.47 1647 1371 A 47 SER H A 46 PRO HBx 1.0 1.8 4.47 1648 1372 A 48 ILE H A 47 SER HBx 1.0 1.8 4.06 1649 1372 A 48 ILE H A 47 SER HBy 1.0 1.8 4.06 1650 1373 A 49 LYS H A 47 SER HBx 1.0 1.8 3.95 1651 1373 A 49 LYS H A 47 SER HBy 1.0 1.8 3.95 1652 1374 A 50 SER H A 47 SER HBx 1.0 1.8 4.15 1653 1374 A 50 SER H A 47 SER HBy 1.0 1.8 4.15 1654 1375 A 48 ILE H A 48 ILE HG1y 1.0 1.8 3.78 1655 1375 A 48 ILE H A 48 ILE HG1x 1.0 1.8 3.78 1656 1376 A 48 ILE HA A 51 SER HBx 1.0 1.8 5.07 1657 1376 A 48 ILE HA A 51 SER HBy 1.0 1.8 5.07 1658 1377 A 48 ILE HG2% A 48 ILE HG1y 1.0 1.8 3.45 1659 1377 A 48 ILE HG2% A 48 ILE HG1x 1.0 1.8 3.45 1660 1378 A 49 LYS H A 49 LYS HBx 1.0 1.8 3.37 1661 1378 A 49 LYS H A 49 LYS HBy 1.0 1.8 3.37 1662 1379 A 49 LYS H A 49 LYS HGx 1.0 1.8 4.54 1663 1379 A 49 LYS H A 49 LYS HGy 1.0 1.8 4.54 1664 1380 A 49 LYS HA A 49 LYS HGx 1.0 1.8 3.82 1665 1380 A 49 LYS HA A 49 LYS HGy 1.0 1.8 3.82 1666 1381 A 49 LYS HA A 52 LEU HBy 1.0 1.8 3.97 1667 1381 A 49 LYS HA A 52 LEU HBx 1.0 1.8 3.97 1668 1382 A 49 LYS HBx A 49 LYS HEx 1.0 1.8 4.80 1669 1382 A 49 LYS HBy A 49 LYS HEx 1.0 1.8 4.80 1670 1382 A 49 LYS HEy A 49 LYS HBx 1.0 1.8 4.80 1671 1382 A 49 LYS HBy A 49 LYS HEy 1.0 1.8 4.80 1672 1383 A 50 SER H A 49 LYS HBx 1.0 1.8 3.77 1673 1383 A 50 SER H A 49 LYS HBy 1.0 1.8 3.77 1674 1384 A 51 SER H A 49 LYS HBx 1.0 1.8 5.87 1675 1384 A 51 SER H A 49 LYS HBy 1.0 1.8 5.87 1676 1385 A 50 SER H A 49 LYS HGx 1.0 1.8 5.44 1677 1385 A 50 SER H A 49 LYS HGy 1.0 1.8 5.44 1678 1386 A 51 SER H A 50 SER HBx 1.0 1.8 3.94 1679 1386 A 51 SER H A 50 SER HBy 1.0 1.8 3.94 1680 1387 A 51 SER H A 51 SER HBx 1.0 1.8 3.90 1681 1387 A 51 SER H A 51 SER HBy 1.0 1.8 3.90 1682 1388 A 51 SER HA A 54 PHE HBx 1.0 1.8 5.13 1683 1388 A 51 SER HA A 54 PHE HBy 1.0 1.8 5.13 1684 1389 A 52 LEU H A 51 SER HBx 1.0 1.8 4.38 1685 1389 A 52 LEU H A 51 SER HBy 1.0 1.8 4.38 1686 1390 A 52 LEU H A 52 LEU HBy 1.0 1.8 3.40 1687 1390 A 52 LEU H A 52 LEU HBx 1.0 1.8 3.40 1688 1391 A 52 LEU HA A 55 LEU HBy 1.0 1.8 4.42 1689 1391 A 52 LEU HA A 55 LEU HBx 1.0 1.8 4.42 1690 1392 A 52 LEU HD1% A 52 LEU HBy 1.0 1.8 3.34 1691 1392 A 52 LEU HD1% A 52 LEU HBx 1.0 1.8 3.34 1692 1393 A 52 LEU HD2% A 52 LEU HBy 1.0 1.8 3.56 1693 1393 A 52 LEU HD2% A 52 LEU HBx 1.0 1.8 3.56 1694 1394 A 53 LYS H A 52 LEU HBy 1.0 1.8 3.49 1695 1394 A 53 LYS H A 52 LEU HBx 1.0 1.8 3.49 1696 1395 A 53 LYS H A 53 LYS HGx 1.0 1.8 4.13 1697 1395 A 53 LYS H A 53 LYS HGy 1.0 1.8 4.13 1698 1396 A 53 LYS HA A 53 LYS HGx 1.0 1.8 3.96 1699 1396 A 53 LYS HA A 53 LYS HGy 1.0 1.8 3.96 1700 1397 A 53 LYS HEy A 53 LYS HGx 1.0 1.8 3.92 1701 1397 A 53 LYS HEx A 53 LYS HGx 1.0 1.8 3.92 1702 1397 A 53 LYS HGy A 53 LYS HEx 1.0 1.8 3.92 1703 1397 A 53 LYS HEy A 53 LYS HGy 1.0 1.8 3.92 1704 1398 A 55 LEU H A 54 PHE HBx 1.0 1.8 4.17 1705 1398 A 55 LEU H A 54 PHE HBy 1.0 1.8 4.17 1706 1399 A 56 ARG H A 54 PHE HBx 1.0 1.8 5.87 1707 1399 A 56 ARG H A 54 PHE HBy 1.0 1.8 5.87 1708 1400 A 55 LEU H A 55 LEU HBy 1.0 1.8 3.87 1709 1400 A 55 LEU H A 55 LEU HBx 1.0 1.8 3.87 1710 1401 A 55 LEU H A 56 ARG HGx 1.0 1.8 5.87 1711 1401 A 55 LEU H A 56 ARG HGy 1.0 1.8 5.87 1712 1402 A 55 LEU HD1% A 55 LEU HBy 1.0 1.8 2.74 1713 1402 A 55 LEU HD1% A 55 LEU HBx 1.0 1.8 2.74 1714 1403 A 55 LEU HD2% A 55 LEU HBy 1.0 1.8 3.70 1715 1403 A 55 LEU HD2% A 55 LEU HBx 1.0 1.8 3.70 1716 1404 A 56 ARG H A 55 LEU HBy 1.0 1.8 4.18 1717 1404 A 56 ARG H A 55 LEU HBx 1.0 1.8 4.18 1718 1405 A 56 ARG H A 56 ARG HGx 1.0 1.8 4.04 1719 1405 A 56 ARG H A 56 ARG HGy 1.0 1.8 4.04 1720 1406 A 56 ARG HA A 56 ARG HGx 1.0 1.8 3.77 1721 1406 A 56 ARG HA A 56 ARG HGy 1.0 1.8 3.77 1722 1407 A 56 ARG HA A 56 ARG HDx 1.0 1.8 5.24 1723 1407 A 56 ARG HA A 56 ARG HDy 1.0 1.8 5.24 1724 1408 A 56 ARG HBx A 56 ARG HDx 1.0 1.8 3.28 1725 1408 A 56 ARG HBy A 56 ARG HDx 1.0 1.8 3.28 1726 1408 A 56 ARG HDy A 56 ARG HBx 1.0 1.8 3.28 1727 1408 A 56 ARG HBy A 56 ARG HDy 1.0 1.8 3.28 1728 1409 A 57 LYS H A 56 ARG HGx 1.0 1.8 4.91 1729 1409 A 57 LYS H A 56 ARG HGy 1.0 1.8 4.91 1730 1410 A 57 LYS H A 57 LYS HBx 1.0 1.8 3.41 1731 1410 A 57 LYS H A 57 LYS HBy 1.0 1.8 3.41 1732 1411 A 57 LYS H A 57 LYS HGx 1.0 1.8 3.97 1733 1411 A 57 LYS H A 57 LYS HGy 1.0 1.8 3.97 1734 1412 A 57 LYS HBx A 57 LYS HDx 1.0 1.8 2.71 1735 1412 A 57 LYS HBy A 57 LYS HDx 1.0 1.8 2.71 1736 1412 A 57 LYS HDy A 57 LYS HBx 1.0 1.8 2.71 1737 1412 A 57 LYS HDy A 57 LYS HBy 1.0 1.8 2.71 1738 1413 A 58 THR H A 57 LYS HBx 1.0 1.8 4.13 1739 1413 A 58 THR H A 57 LYS HBy 1.0 1.8 4.13 1740 1414 A 59 ASP HA A 62 ARG HBx 1.0 1.8 4.96 1741 1414 A 59 ASP HA A 62 ARG HBy 1.0 1.8 4.96 1742 1415 A 60 TRP H A 60 TRP HBx 1.0 1.8 3.74 1743 1415 A 60 TRP H A 60 TRP HBy 1.0 1.8 3.74 1744 1416 A 60 TRP HE3 A 64 ARG HGx 1.0 1.8 5.44 1745 1416 A 60 TRP HE3 A 64 ARG HGy 1.0 1.8 5.44 1746 1417 A 61 ALA HA A 64 ARG HBx 1.0 1.8 4.71 1747 1417 A 61 ALA HA A 64 ARG HBy 1.0 1.8 4.71 1748 1418 A 61 ALA HA A 64 ARG HGx 1.0 1.8 4.81 1749 1418 A 61 ALA HA A 64 ARG HGy 1.0 1.8 4.81 1750 1419 A 63 GLU H A 62 ARG HBx 1.0 1.8 3.77 1751 1419 A 63 GLU H A 62 ARG HBy 1.0 1.8 3.77 1752 1420 A 63 GLU H A 63 GLU HGy 1.0 1.8 3.89 1753 1420 A 63 GLU H A 63 GLU HGx 1.0 1.8 3.89 1754 1421 A 63 GLU HA A 63 GLU HGy 1.0 1.8 3.63 1755 1421 A 63 GLU HA A 63 GLU HGx 1.0 1.8 3.63 1756 1422 A 64 ARG H A 63 GLU HGy 1.0 1.8 5.17 1757 1422 A 64 ARG H A 63 GLU HGx 1.0 1.8 5.17 1758 1423 A 64 ARG H A 64 ARG HBx 1.0 1.8 3.55 1759 1423 A 64 ARG H A 64 ARG HBy 1.0 1.8 3.55 1760 1424 A 64 ARG H A 64 ARG HGx 1.0 1.8 3.45 1761 1424 A 64 ARG H A 64 ARG HGy 1.0 1.8 3.45 1762 1425 A 64 ARG HA A 64 ARG HGx 1.0 1.8 3.99 1763 1425 A 64 ARG HA A 64 ARG HGy 1.0 1.8 3.99 1764 1426 A 64 ARG HA A 67 ASN HBx 1.0 1.8 4.02 1765 1426 A 64 ARG HA A 67 ASN HBy 1.0 1.8 4.02 1766 1427 A 64 ARG HA A 67 ASN HD22 1.0 1.8 4.95 1767 1427 A 64 ARG HA A 67 ASN HD21 1.0 1.8 4.95 1768 1428 A 64 ARG HBx A 64 ARG HGx 1.0 1.8 2.54 1769 1428 A 64 ARG HBy A 64 ARG HGx 1.0 1.8 2.54 1770 1428 A 64 ARG HGy A 64 ARG HBx 1.0 1.8 2.54 1771 1428 A 64 ARG HBy A 64 ARG HGy 1.0 1.8 2.54 1772 1429 A 64 ARG HBy A 64 ARG HDx 1.0 1.8 3.81 1773 1429 A 64 ARG HBx A 64 ARG HDx 1.0 1.8 3.81 1774 1429 A 64 ARG HDy A 64 ARG HBx 1.0 1.8 3.81 1775 1429 A 64 ARG HDy A 64 ARG HBy 1.0 1.8 3.81 1776 1430 A 64 ARG HE A 64 ARG HBx 1.0 1.8 4.98 1777 1430 A 64 ARG HE A 64 ARG HBy 1.0 1.8 4.98 1778 1431 A 65 VAL H A 64 ARG HBx 1.0 1.8 4.05 1779 1431 A 65 VAL H A 64 ARG HBy 1.0 1.8 4.05 1780 1432 A 65 VAL HG2% A 64 ARG HBx 1.0 1.8 4.64 1781 1432 A 65 VAL HG2% A 64 ARG HBy 1.0 1.8 4.64 1782 1433 A 64 ARG HBy A 67 ASN HBx 1.0 1.8 5.38 1783 1433 A 64 ARG HBx A 67 ASN HBx 1.0 1.8 5.38 1784 1433 A 67 ASN HBy A 64 ARG HBx 1.0 1.8 5.38 1785 1433 A 64 ARG HBy A 67 ASN HBy 1.0 1.8 5.38 1786 1434 A 64 ARG HE A 64 ARG HGx 1.0 1.8 3.99 1787 1434 A 64 ARG HE A 64 ARG HGy 1.0 1.8 3.99 1788 1435 A 66 GLU H A 66 GLU HBx 1.0 1.8 3.65 1789 1435 A 66 GLU H A 66 GLU HBy 1.0 1.8 3.65 1790 1436 A 66 GLU H A 66 GLU HGy 1.0 1.8 3.75 1791 1436 A 66 GLU H A 66 GLU HGx 1.0 1.8 3.75 1792 1437 A 66 GLU HA A 66 GLU HGy 1.0 1.8 3.92 1793 1437 A 66 GLU HA A 66 GLU HGx 1.0 1.8 3.92 1794 1438 A 66 GLU HBy A 66 GLU HGy 1.0 1.8 2.49 1795 1438 A 66 GLU HBx A 66 GLU HGy 1.0 1.8 2.49 1796 1438 A 66 GLU HGx A 66 GLU HBx 1.0 1.8 2.49 1797 1438 A 66 GLU HGx A 66 GLU HBy 1.0 1.8 2.49 1798 1439 A 67 ASN H A 66 GLU HGy 1.0 1.8 4.85 1799 1439 A 67 ASN H A 66 GLU HGx 1.0 1.8 4.85 1800 1440 A 67 ASN H A 67 ASN HBx 1.0 1.8 3.40 1801 1440 A 67 ASN H A 67 ASN HBy 1.0 1.8 3.40 1802 1441 A 67 ASN HA A 67 ASN HD22 1.0 1.8 5.42 1803 1441 A 67 ASN HA A 67 ASN HD21 1.0 1.8 5.42 1804 1442 A 68 ILE H A 67 ASN HBx 1.0 1.8 4.07 1805 1442 A 68 ILE H A 67 ASN HBy 1.0 1.8 4.07 1806 1443 A 68 ILE HB A 67 ASN HBx 1.0 1.8 5.87 1807 1443 A 68 ILE HB A 67 ASN HBy 1.0 1.8 5.87 1808 1444 A 70 LEU HG A 67 ASN HBx 1.0 1.8 5.61 1809 1444 A 70 LEU HG A 67 ASN HBy 1.0 1.8 5.61 1810 1445 A 70 LEU HD1% A 67 ASN HBx 1.0 1.8 4.93 1811 1445 A 70 LEU HD1% A 67 ASN HBy 1.0 1.8 4.93 1812 1446 A 68 ILE H A 68 ILE HG1y 1.0 1.8 3.69 1813 1446 A 68 ILE H A 68 ILE HG1x 1.0 1.8 3.69 1814 1447 A 68 ILE HA A 68 ILE HG1y 1.0 1.8 3.75 1815 1447 A 68 ILE HA A 68 ILE HG1x 1.0 1.8 3.75 1816 1448 A 70 LEU HA A 73 GLN HGy 1.0 1.8 4.32 1817 1448 A 70 LEU HA A 73 GLN HGx 1.0 1.8 4.32 1818 1449 A 71 LYS H A 71 LYS HGx 1.0 1.8 4.51 1819 1449 A 71 LYS H A 71 LYS HGy 1.0 1.8 4.51 1820 1450 A 71 LYS HEy A 71 LYS HGx 1.0 1.8 3.94 1821 1450 A 71 LYS HEx A 71 LYS HGx 1.0 1.8 3.94 1822 1450 A 71 LYS HGy A 71 LYS HEx 1.0 1.8 3.94 1823 1450 A 71 LYS HEy A 71 LYS HGy 1.0 1.8 3.94 1824 1451 A 72 LEU HBx A 73 GLN HE21 1.0 1.8 5.18 1825 1451 A 72 LEU HBx A 73 GLN HE22 1.0 1.8 5.18 1826 1452 A 72 LEU HD1% A 75 HIS HBx 1.0 1.8 5.05 1827 1452 A 72 LEU HD1% A 75 HIS HBy 1.0 1.8 5.05 1828 1453 A 73 GLN H A 73 GLN HBx 1.0 1.8 3.37 1829 1453 A 73 GLN H A 73 GLN HBy 1.0 1.8 3.37 1830 1454 A 73 GLN H A 73 GLN HGy 1.0 1.8 3.99 1831 1454 A 73 GLN H A 73 GLN HGx 1.0 1.8 3.99 1832 1455 A 73 GLN HA A 73 GLN HGy 1.0 1.8 3.73 1833 1455 A 73 GLN HA A 73 GLN HGx 1.0 1.8 3.73 1834 1456 A 73 GLN HA A 76 LYS HBx 1.0 1.8 4.63 1835 1456 A 73 GLN HA A 76 LYS HBy 1.0 1.8 4.63 1836 1457 A 73 GLN HBx A 73 GLN HGy 1.0 1.8 2.48 1837 1457 A 73 GLN HBy A 73 GLN HGy 1.0 1.8 2.48 1838 1457 A 73 GLN HGx A 73 GLN HBx 1.0 1.8 2.48 1839 1457 A 73 GLN HGx A 73 GLN HBy 1.0 1.8 2.48 1840 1458 A 74 ARG H A 73 GLN HBx 1.0 1.8 4.16 1841 1458 A 74 ARG H A 73 GLN HBy 1.0 1.8 4.16 1842 1459 A 73 GLN HE21 A 73 GLN HGx 1.0 1.8 3.42 1843 1459 A 73 GLN HE21 A 73 GLN HGy 1.0 1.8 3.42 1844 1459 A 73 GLN HE22 A 73 GLN HGx 1.0 1.8 3.42 1845 1459 A 73 GLN HE22 A 73 GLN HGy 1.0 1.8 3.42 1846 1460 A 74 ARG H A 74 ARG HGx 1.0 1.8 3.79 1847 1460 A 74 ARG H A 74 ARG HGy 1.0 1.8 3.79 1848 1461 A 74 ARG HA A 74 ARG HGx 1.0 1.8 3.89 1849 1461 A 74 ARG HA A 74 ARG HGy 1.0 1.8 3.89 1850 1462 A 75 HIS HA A 74 ARG HGx 1.0 1.8 5.72 1851 1462 A 75 HIS HA A 74 ARG HGy 1.0 1.8 5.72 1852 1463 A 76 LYS H A 75 HIS HBx 1.0 1.8 4.17 1853 1463 A 76 LYS H A 75 HIS HBy 1.0 1.8 4.17 1854 1464 A 76 LYS H A 76 LYS HBx 1.0 1.8 3.42 1855 1464 A 76 LYS H A 76 LYS HBy 1.0 1.8 3.42 1856 1465 A 76 LYS H A 76 LYS HGx 1.0 1.8 4.38 1857 1465 A 76 LYS H A 76 LYS HGy 1.0 1.8 4.38 1858 1466 A 76 LYS HBx A 76 LYS HEx 1.0 1.8 5.12 1859 1466 A 76 LYS HBy A 76 LYS HEx 1.0 1.8 5.12 1860 1466 A 76 LYS HEy A 76 LYS HBx 1.0 1.8 5.12 1861 1466 A 76 LYS HEy A 76 LYS HBy 1.0 1.8 5.12 1862 1467 A 77 GLU H A 76 LYS HBx 1.0 1.8 4.42 1863 1467 A 77 GLU H A 76 LYS HBy 1.0 1.8 4.42 1864 1468 A 77 GLU H A 77 GLU HBx 1.0 1.8 3.41 1865 1468 A 77 GLU H A 77 GLU HBy 1.0 1.8 3.41 1866 1469 A 77 GLU H A 77 GLU HGy 1.0 1.8 3.94 1867 1469 A 77 GLU H A 77 GLU HGx 1.0 1.8 3.94 1868 1470 A 78 ARG H A 77 GLU HBx 1.0 1.8 4.07 1869 1470 A 78 ARG H A 77 GLU HBy 1.0 1.8 4.07 1870 1471 A 78 ARG H A 77 GLU HGy 1.0 1.8 4.97 1871 1471 A 78 ARG H A 77 GLU HGx 1.0 1.8 4.97 1872 1472 A 78 ARG H A 78 ARG HBx 1.0 1.8 3.38 1873 1472 A 78 ARG H A 78 ARG HBy 1.0 1.8 3.38 1874 1473 A 78 ARG HA A 78 ARG HGx 1.0 1.8 4.03 1875 1473 A 78 ARG HA A 78 ARG HGy 1.0 1.8 4.03 1876 1474 A 78 ARG HBx A 78 ARG HDx 1.0 1.8 3.40 1877 1474 A 78 ARG HBy A 78 ARG HDx 1.0 1.8 3.40 1878 1474 A 78 ARG HDy A 78 ARG HBx 1.0 1.8 3.40 1879 1474 A 78 ARG HDy A 78 ARG HBy 1.0 1.8 3.40 1880 1475 A 79 ASN H A 78 ARG HGx 1.0 1.8 5.19 1881 1475 A 79 ASN H A 78 ARG HGy 1.0 1.8 5.19 1882 1476 A 79 ASN H A 79 ASN HBx 1.0 1.8 3.51 1883 1476 A 79 ASN H A 79 ASN HBy 1.0 1.8 3.51 1884 1477 A 79 ASN HBx A 79 ASN HD22 1.0 1.8 3.53 1885 1477 A 79 ASN HBy A 79 ASN HD22 1.0 1.8 3.53 1886 1477 A 79 ASN HD21 A 79 ASN HBx 1.0 1.8 3.53 1887 1477 A 79 ASN HBy A 79 ASN HD21 1.0 1.8 3.53 1888 1478 A 80 GLN H A 80 GLN HBx 1.0 1.8 3.63 1889 1478 A 80 GLN H A 80 GLN HBy 1.0 1.8 3.63 1890 1479 A 80 GLN HGx A 81 LEU HBy 1.0 1.8 5.01 1891 1479 A 80 GLN HGy A 81 LEU HBy 1.0 1.8 5.01 1892 1479 A 81 LEU HBx A 80 GLN HGy 1.0 1.8 5.01 1893 1479 A 80 GLN HGx A 81 LEU HBx 1.0 1.8 5.01 1894 1480 A 80 GLN HGx A 81 LEU HD2% 1.0 1.8 5.37 1895 1480 A 81 LEU HD1% A 80 GLN HGy 1.0 1.8 5.37 1896 1480 A 80 GLN HGx A 81 LEU HD1% 1.0 1.8 5.37 1897 1480 A 80 GLN HGy A 81 LEU HD2% 1.0 1.8 5.37 1898 1481 A 81 LEU H A 81 LEU HBy 1.0 1.8 3.38 1899 1481 A 81 LEU H A 81 LEU HBx 1.0 1.8 3.38 1900 1482 A 81 LEU H A 81 LEU HD2% 1.0 1.8 4.52 1901 1482 A 81 LEU H A 81 LEU HD1% 1.0 1.8 4.52 1902 1483 A 81 LEU HA A 81 LEU HD2% 1.0 1.8 3.81 1903 1483 A 81 LEU HA A 81 LEU HD1% 1.0 1.8 3.81 1904 1484 A 81 LEU HBy A 81 LEU HD2% 1.0 1.8 2.94 1905 1484 A 81 LEU HBx A 81 LEU HD2% 1.0 1.8 2.94 1906 1484 A 81 LEU HD1% A 81 LEU HBy 1.0 1.8 2.94 1907 1484 A 81 LEU HBx A 81 LEU HD1% 1.0 1.8 2.94 1908 1485 A 82 GLU H A 81 LEU HBy 1.0 1.8 4.23 1909 1485 A 82 GLU H A 81 LEU HBx 1.0 1.8 4.23 1910 1486 A 82 GLU H A 81 LEU HD2% 1.0 1.8 5.58 1911 1486 A 82 GLU H A 81 LEU HD1% 1.0 1.8 5.58 1912 1487 A 82 GLU HA A 82 GLU HGy 1.0 1.8 4.07 1913 1487 A 82 GLU HA A 82 GLU HGx 1.0 1.8 4.07 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 42 PHE HD% A 39 ILE HG1x 1.0 3.5 8.5 2 2 A 42 PHE HD% A 39 ILE HG1y 1.0 3.5 8.5 3 3 A 42 PHE HD% A 33 LEU HBx 1.0 3.5 8.5 4 4 A 42 PHE HD% A 33 LEU HBy 1.0 3.5 8.5 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 17 LEU O A 21 LEU N 1.0 2.4 3.3 2 2 A 21 LEU H A 17 LEU O 1.0 1.5 2.3 3 3 A 18 GLN O A 22 THR N 1.0 2.4 3.3 4 4 A 22 THR H A 18 GLN O 1.0 1.5 2.3 5 5 A 19 LYS O A 23 GLU N 1.0 2.4 3.3 6 6 A 23 GLU H A 19 LYS O 1.0 1.5 2.3 7 7 A 20 LEU O A 24 LEU N 1.0 2.4 3.3 8 8 A 24 LEU H A 20 LEU O 1.0 1.5 2.3 9 9 A 21 LEU O A 25 VAL N 1.0 2.4 3.3 10 10 A 25 VAL H A 21 LEU O 1.0 1.5 2.3 11 11 A 22 THR O A 26 GLU N 1.0 2.4 3.3 12 12 A 26 GLU H A 22 THR O 1.0 1.5 2.3 13 13 A 23 GLU O A 27 HIS N 1.0 2.4 3.3 14 14 A 27 HIS H A 23 GLU O 1.0 1.5 2.3 15 15 A 24 LEU O A 28 TYR N 1.0 2.4 3.3 16 16 A 28 TYR H A 24 LEU O 1.0 1.5 2.3 17 17 A 30 TRP O A 34 SER N 1.0 2.4 3.3 18 18 A 34 SER H A 30 TRP O 1.0 1.5 2.3 19 19 A 32 GLU O A 36 MET N 1.0 2.4 3.3 20 20 A 36 MET H A 32 GLU O 1.0 1.5 2.3 21 21 A 48 ILE O A 52 LEU N 1.0 2.4 3.3 22 22 A 52 LEU H A 48 ILE O 1.0 1.5 2.3 23 23 A 49 LYS O A 53 LYS N 1.0 2.4 3.3 24 24 A 53 LYS H A 49 LYS O 1.0 1.5 2.3 25 25 A 52 LEU O A 56 ARG N 1.0 2.4 3.3 26 26 A 56 ARG H A 52 LEU O 1.0 1.5 2.3 27 27 A 61 ALA O A 65 VAL N 1.0 2.4 3.3 28 28 A 65 VAL H A 61 ALA O 1.0 1.5 2.3 29 29 A 62 ARG O A 66 GLU N 1.0 2.4 3.3 30 30 A 66 GLU H A 62 ARG O 1.0 1.5 2.3 31 31 A 63 GLU O A 67 ASN N 1.0 2.4 3.3 32 32 A 67 ASN H A 63 GLU O 1.0 1.5 2.3 33 33 A 64 ARG O A 68 ILE N 1.0 2.4 3.3 34 34 A 68 ILE H A 64 ARG O 1.0 1.5 2.3 35 35 A 65 VAL O A 69 TYR N 1.0 2.4 3.3 36 36 A 69 TYR H A 65 VAL O 1.0 1.5 2.3 37 37 A 66 GLU O A 70 LEU N 1.0 2.4 3.3 38 38 A 70 LEU H A 66 GLU O 1.0 1.5 2.3 39 39 A 67 ASN O A 71 LYS N 1.0 2.4 3.3 40 40 A 71 LYS H A 67 ASN O 1.0 1.5 2.3 41 41 A 69 TYR O A 73 GLN N 1.0 2.4 3.3 42 42 A 73 GLN H A 69 TYR O 1.0 1.5 2.3 43 43 A 70 LEU O A 74 ARG N 1.0 2.4 3.3 44 44 A 74 ARG H A 70 LEU O 1.0 1.5 2.3 45 45 A 72 LEU O A 76 LYS N 1.0 2.4 3.3 46 46 A 76 LYS H A 72 LEU O 1.0 1.5 2.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 16 THR C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -101.72 -21.72 PHI 2 2 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 GLN N 1.0 -85.03 14.97 PSI 3 3 A 17 LEU C A 18 GLN N A 18 GLN CA A 18 GLN C 1.0 -105.46 -25.46 PHI 4 4 A 18 GLN N A 18 GLN CA A 18 GLN C A 19 LYS N 1.0 -88.79 11.21 PSI 5 5 A 18 GLN C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -104.53 -24.53 PHI 6 6 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 LEU N 1.0 -91.72 8.28 PSI 7 7 A 19 LYS C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -100.48 -20.48 PHI 8 8 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 LEU N 1.0 -94.74 5.26 PSI 9 9 A 20 LEU C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -102.93 -22.93 PHI 10 10 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 THR N 1.0 -84.10 15.90 PSI 11 11 A 21 LEU C A 22 THR N A 22 THR CA A 22 THR C 1.0 -103.44 -23.44 PHI 12 12 A 22 THR N A 22 THR CA A 22 THR C A 23 GLU N 1.0 -91.66 8.34 PSI 13 13 A 22 THR C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -102.74 -22.74 PHI 14 14 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 LEU N 1.0 -88.92 11.08 PSI 15 15 A 23 GLU C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -107.22 -27.22 PHI 16 16 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 VAL N 1.0 -89.76 10.24 PSI 17 17 A 24 LEU C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -100.83 -20.83 PHI 18 18 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 GLU N 1.0 -94.13 5.87 PSI 19 19 A 25 VAL C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -97.72 -17.72 PHI 20 20 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 HIS N 1.0 -86.13 13.87 PSI 21 21 A 26 GLU C A 27 HIS N A 27 HIS CA A 27 HIS C 1.0 -110.22 -30.22 PHI 22 22 A 27 HIS N A 27 HIS CA A 27 HIS C A 28 TYR N 1.0 -84.52 15.48 PSI 23 23 A 27 HIS C A 28 TYR N A 28 TYR CA A 28 TYR C 1.0 -140.09 -60.09 PHI 24 24 A 28 TYR N A 28 TYR CA A 28 TYR C A 29 GLY N 1.0 -69.77 30.23 PSI 25 25 A 29 GLY C A 30 TRP N A 30 TRP CA A 30 TRP C 1.0 -96.88 -16.88 PHI 26 26 A 30 TRP N A 30 TRP CA A 30 TRP C A 31 GLU N 1.0 -90.39 9.61 PSI 27 27 A 30 TRP C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -102.30 -22.30 PHI 28 28 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 GLU N 1.0 -92.25 7.75 PSI 29 29 A 31 GLU C A 32 GLU N A 32 GLU CA A 32 GLU C 1.0 -104.98 -24.98 PHI 30 30 A 32 GLU N A 32 GLU CA A 32 GLU C A 33 LEU N 1.0 -90.37 9.63 PSI 31 31 A 32 GLU C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -102.66 -22.66 PHI 32 32 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 SER N 1.0 -85.57 14.43 PSI 33 33 A 33 LEU C A 34 SER N A 34 SER CA A 34 SER C 1.0 -104.66 -24.66 PHI 34 34 A 34 SER N A 34 SER CA A 34 SER C A 35 TYR N 1.0 -84.93 15.07 PSI 35 35 A 34 SER C A 35 TYR N A 35 TYR CA A 35 TYR C 1.0 -106.36 -26.36 PHI 36 36 A 35 TYR N A 35 TYR CA A 35 TYR C A 36 MET N 1.0 -92.98 7.02 PSI 37 37 A 35 TYR C A 36 MET N A 36 MET CA A 36 MET C 1.0 -108.42 -28.42 PHI 38 38 A 36 MET N A 36 MET CA A 36 MET C A 37 VAL N 1.0 -82.84 17.16 PSI 39 39 A 47 SER C A 48 ILE N A 48 ILE CA A 48 ILE C 1.0 -100.50 -20.50 PHI 40 40 A 48 ILE N A 48 ILE CA A 48 ILE C A 49 LYS N 1.0 -90.27 9.73 PSI 41 41 A 48 ILE C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -101.86 -21.86 PHI 42 42 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 SER N 1.0 -91.28 8.72 PSI 43 43 A 49 LYS C A 50 SER N A 50 SER CA A 50 SER C 1.0 -106.67 -26.67 PHI 44 44 A 50 SER N A 50 SER CA A 50 SER C A 51 SER N 1.0 -87.54 12.46 PSI 45 45 A 50 SER C A 51 SER N A 51 SER CA A 51 SER C 1.0 -107.42 -27.42 PHI 46 46 A 51 SER N A 51 SER CA A 51 SER C A 52 LEU N 1.0 -92.00 8.00 PSI 47 47 A 51 SER C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -101.70 -21.70 PHI 48 48 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 LYS N 1.0 -92.88 7.12 PSI 49 49 A 52 LEU C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -104.65 -24.65 PHI 50 50 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 PHE N 1.0 -89.31 10.69 PSI 51 51 A 53 LYS C A 54 PHE N A 54 PHE CA A 54 PHE C 1.0 -105.27 -25.27 PHI 52 52 A 54 PHE N A 54 PHE CA A 54 PHE C A 55 LEU N 1.0 -91.63 8.37 PSI 53 53 A 54 PHE C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -102.45 -22.45 PHI 54 54 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 ARG N 1.0 -88.86 11.14 PSI 55 55 A 55 LEU C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -104.20 -24.20 PHI 56 56 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 LYS N 1.0 -80.21 19.79 PSI 57 57 A 58 THR C A 59 ASP N A 59 ASP CA A 59 ASP C 1.0 -100.52 -20.52 PHI 58 58 A 59 ASP N A 59 ASP CA A 59 ASP C A 60 TRP N 1.0 -79.14 20.86 PSI 59 59 A 59 ASP C A 60 TRP N A 60 TRP CA A 60 TRP C 1.0 -106.40 -26.40 PHI 60 60 A 60 TRP N A 60 TRP CA A 60 TRP C A 61 ALA N 1.0 -85.50 14.50 PSI 61 61 A 60 TRP C A 61 ALA N A 61 ALA CA A 61 ALA C 1.0 -103.51 -23.51 PHI 62 62 A 61 ALA N A 61 ALA CA A 61 ALA C A 62 ARG N 1.0 -93.27 6.73 PSI 63 63 A 61 ALA C A 62 ARG N A 62 ARG CA A 62 ARG C 1.0 -101.87 -21.87 PHI 64 64 A 62 ARG N A 62 ARG CA A 62 ARG C A 63 GLU N 1.0 -94.35 5.65 PSI 65 65 A 62 ARG C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -104.38 -24.38 PHI 66 66 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 ARG N 1.0 -89.42 10.58 PSI 67 67 A 63 GLU C A 64 ARG N A 64 ARG CA A 64 ARG C 1.0 -104.90 -24.90 PHI 68 68 A 64 ARG N A 64 ARG CA A 64 ARG C A 65 VAL N 1.0 -91.35 8.65 PSI 69 69 A 64 ARG C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -107.04 -27.04 PHI 70 70 A 65 VAL N A 65 VAL CA A 65 VAL C A 66 GLU N 1.0 -95.67 4.33 PSI 71 71 A 65 VAL C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -99.98 -19.98 PHI 72 72 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 ASN N 1.0 -90.32 9.68 PSI 73 73 A 66 GLU C A 67 ASN N A 67 ASN CA A 67 ASN C 1.0 -103.34 -23.34 PHI 74 74 A 67 ASN N A 67 ASN CA A 67 ASN C A 68 ILE N 1.0 -90.62 9.38 PSI 75 75 A 67 ASN C A 68 ILE N A 68 ILE CA A 68 ILE C 1.0 -106.90 -26.90 PHI 76 76 A 68 ILE N A 68 ILE CA A 68 ILE C A 69 TYR N 1.0 -94.15 5.85 PSI 77 77 A 68 ILE C A 69 TYR N A 69 TYR CA A 69 TYR C 1.0 -102.15 -22.15 PHI 78 78 A 69 TYR N A 69 TYR CA A 69 TYR C A 70 LEU N 1.0 -92.29 7.71 PSI 79 79 A 69 TYR C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -102.76 -22.76 PHI 80 80 A 70 LEU N A 70 LEU CA A 70 LEU C A 71 LYS N 1.0 -92.14 7.86 PSI 81 81 A 70 LEU C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -107.73 -27.73 PHI 82 82 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 LEU N 1.0 -90.15 9.85 PSI 83 83 A 71 LYS C A 72 LEU N A 72 LEU CA A 72 LEU C 1.0 -100.15 -20.15 PHI 84 84 A 72 LEU N A 72 LEU CA A 72 LEU C A 73 GLN N 1.0 -91.95 8.05 PSI 85 85 A 72 LEU C A 73 GLN N A 73 GLN CA A 73 GLN C 1.0 -105.90 -25.90 PHI 86 86 A 73 GLN N A 73 GLN CA A 73 GLN C A 74 ARG N 1.0 -85.45 14.55 PSI 87 87 A 73 GLN C A 74 ARG N A 74 ARG CA A 74 ARG C 1.0 -108.71 -28.71 PHI 88 88 A 74 ARG N A 74 ARG CA A 74 ARG C A 75 HIS N 1.0 -81.84 18.16 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C . 1 15N . 2 1H . 3 1H . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C . 1 15N . 2 1H . 3 1H . stop_ save_