data_nef_c18876_2mps 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 3 ASN start . . 2 A 4 THR middle . . 3 A 5 ASN middle . . 4 A 6 MET middle . . 5 A 7 SER middle . . 6 A 8 VAL middle . . 7 A 9 PRO middle . false 8 A 10 THR middle . . 9 A 11 ASP middle . . 10 A 12 GLY middle . false 11 A 13 ALA middle . . 12 A 14 VAL middle . . 13 A 15 THR middle . . 14 A 16 THR middle . . 15 A 17 SER middle . . 16 A 18 GLN middle . . 17 A 19 ILE middle . . 18 A 20 PRO middle . false 19 A 21 ALA middle . . 20 A 22 SER middle . . 21 A 23 GLU middle . . 22 A 24 GLN middle . . 23 A 25 GLU middle . . 24 A 26 THR middle . . 25 A 27 LEU middle . . 26 A 28 VAL middle . . 27 A 29 ARG middle . . 28 A 30 PRO middle . false 29 A 31 LYS middle . . 30 A 32 PRO middle . false 31 A 33 LEU middle . . 32 A 34 LEU middle . . 33 A 35 LEU middle . . 34 A 36 LYS middle . . 35 A 37 LEU middle . . 36 A 38 LEU middle . . 37 A 39 LYS middle . . 38 A 40 SER middle . . 39 A 41 VAL middle . . 40 A 42 GLY middle . false 41 A 43 ALA middle . . 42 A 44 GLN middle . . 43 A 45 LYS middle . . 44 A 46 ASP middle . . 45 A 47 THR middle . . 46 A 48 TYR middle . . 47 A 49 THR middle . . 48 A 50 MET middle . . 49 A 51 LYS middle . . 50 A 52 GLU middle . . 51 A 53 VAL middle . . 52 A 54 LEU middle . . 53 A 55 PHE middle . . 54 A 56 TYR middle . . 55 A 57 LEU middle . . 56 A 58 GLY middle . false 57 A 59 GLN middle . . 58 A 60 TYR middle . . 59 A 61 ILE middle . . 60 A 62 MET middle . . 61 A 63 THR middle . . 62 A 64 LYS middle . . 63 A 65 ARG middle . . 64 A 66 LEU middle . . 65 A 67 TYR middle . . 66 A 68 ASP middle . . 67 A 69 GLU middle . . 68 A 70 LYS middle . . 69 A 71 GLN middle . . 70 A 72 GLN middle . . 71 A 73 HIS middle . . 72 A 74 ILE middle . . 73 A 75 VAL middle . . 74 A 76 TYR middle . . 75 A 77 CYS middle . . 76 A 78 SER middle . . 77 A 79 ASN middle . . 78 A 80 ASP middle . . 79 A 81 LEU middle . . 80 A 82 LEU middle . . 81 A 83 GLY middle . false 82 A 84 ASP middle . . 83 A 85 LEU middle . . 84 A 86 PHE middle . . 85 A 87 GLY middle . false 86 A 88 VAL middle . . 87 A 89 PRO middle . false 88 A 90 SER middle . . 89 A 91 PHE middle . . 90 A 92 SER middle . . 91 A 93 VAL middle . . 92 A 94 LYS middle . . 93 A 95 GLU middle . . 94 A 96 HIS middle . . 95 A 97 ARG middle . . 96 A 98 LYS middle . . 97 A 99 ILE middle . . 98 A 100 TYR middle . . 99 A 101 THR middle . . 100 A 102 MET middle . . 101 A 103 ILE middle . . 102 A 104 TYR middle . . 103 A 105 ARG middle . . 104 A 106 ASN middle . . 105 A 107 LEU middle . . 106 A 108 VAL middle . . 107 A 109 VAL end . . 108 B 301 ASP start . . 109 B 302 GLY middle . false 110 B 303 GLY middle . false 111 B 304 THR middle . . 112 B 305 THR middle . . 113 B 306 PHE middle . . 114 B 307 GLU middle . . 115 B 308 HIS middle . . 116 B 309 LEU middle . . 117 B 310 TRP middle . . 118 B 311 SER middle . . 119 B 312 SER middle . . 120 B 313 LEU middle . . 121 B 314 GLU middle . . 122 B 315 PRO middle . false 123 B 316 ASP 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 4 THR HA H 1 4.300 0.020 A 4 THR HG2% H 1 1.181 0.020 A 4 THR CA C 13 61.960 0.400 A 4 THR CB C 13 69.667 0.400 A 4 THR CG2 C 13 20.742 0.400 A 5 ASN H H 1 8.547 0.020 A 5 ASN HA H 1 4.703 0.020 A 5 ASN HBy H 1 2.859 0.020 A 5 ASN HBx H 1 2.775 0.020 A 5 ASN CA C 13 53.451 0.400 A 5 ASN CB C 13 38.633 0.400 A 5 ASN N N 15 120.955 0.400 A 6 MET H H 1 8.376 0.020 A 6 MET HA H 1 4.508 0.020 A 6 MET HBy H 1 2.124 0.020 A 6 MET HBx H 1 1.968 0.020 A 6 MET CA C 13 55.464 0.400 A 6 MET CB C 13 32.690 0.400 A 6 MET N N 15 120.865 0.400 A 7 SER H H 1 8.383 0.020 A 7 SER HA H 1 4.447 0.020 A 7 SER HB2 H 1 3.843 0.020 A 7 SER HB3 H 1 3.843 0.020 A 7 SER CA C 13 58.409 0.400 A 7 SER CB C 13 63.762 0.400 A 7 SER N N 15 117.571 0.400 A 8 VAL H H 1 8.230 0.020 A 8 VAL HA H 1 4.445 0.020 A 8 VAL HB H 1 2.078 0.020 A 8 VAL HGx% H 1 0.959 0.020 A 8 VAL HGy% H 1 0.921 0.020 A 8 VAL CA C 13 59.848 0.400 A 8 VAL CB C 13 32.663 0.400 A 8 VAL CG1 C 13 21.040 0.400 A 8 VAL CG2 C 13 20.290 0.400 A 8 VAL N N 15 123.292 0.400 A 9 PRO HA H 1 4.479 0.020 A 9 PRO HBy H 1 2.313 0.020 A 9 PRO HBx H 1 1.932 0.020 A 9 PRO HDy H 1 3.874 0.020 A 9 PRO HDx H 1 3.687 0.020 A 9 PRO HGy H 1 2.036 0.020 A 9 PRO HGx H 1 1.981 0.020 A 9 PRO CA C 13 63.289 0.400 A 9 PRO CB C 13 32.259 0.400 A 9 PRO CD C 13 51.119 0.400 A 9 PRO CG C 13 27.471 0.400 A 10 THR H H 1 8.366 0.020 A 10 THR HA H 1 4.308 0.020 A 10 THR HB H 1 4.250 0.020 A 10 THR HG2% H 1 1.214 0.020 A 10 THR CA C 13 61.922 0.400 A 10 THR CB C 13 69.803 0.400 A 10 THR CG2 C 13 21.921 0.400 A 10 THR N N 15 114.464 0.400 A 11 ASP H H 1 8.405 0.020 A 11 ASP HA H 1 4.596 0.020 A 11 ASP HB2 H 1 2.689 0.020 A 11 ASP HB3 H 1 2.689 0.020 A 11 ASP CA C 13 54.476 0.400 A 11 ASP CB C 13 41.106 0.400 A 11 ASP N N 15 122.670 0.400 A 12 GLY H H 1 8.417 0.020 A 12 GLY HAx H 1 3.913 0.020 A 12 GLY HAy H 1 3.920 0.020 A 12 GLY CA C 13 45.317 0.400 A 12 GLY N N 15 109.721 0.400 A 13 ALA H H 1 8.171 0.020 A 13 ALA HA H 1 4.321 0.020 A 13 ALA HB% H 1 1.370 0.020 A 13 ALA CA C 13 52.513 0.400 A 13 ALA CB C 13 19.270 0.400 A 13 ALA N N 15 123.725 0.400 A 14 VAL H H 1 8.253 0.020 A 14 VAL HA H 1 4.180 0.020 A 14 VAL HB H 1 2.084 0.020 A 14 VAL HGx% H 1 0.942 0.020 A 14 VAL HGy% H 1 0.948 0.020 A 14 VAL CA C 13 62.268 0.400 A 14 VAL CB C 13 32.799 0.400 A 14 VAL CG1 C 13 21.265 0.400 A 14 VAL CG2 C 13 20.787 0.400 A 14 VAL N N 15 119.783 0.400 A 15 THR H H 1 8.399 0.020 A 15 THR HA H 1 4.442 0.020 A 15 THR HB H 1 4.238 0.020 A 15 THR HG2% H 1 1.202 0.020 A 15 THR CA C 13 61.689 0.400 A 15 THR CB C 13 69.813 0.400 A 15 THR CG2 C 13 21.504 0.400 A 15 THR N N 15 118.563 0.400 A 16 THR H H 1 8.265 0.020 A 16 THR CA C 13 61.762 0.400 A 16 THR CB C 13 69.914 0.400 A 16 THR N N 15 116.582 0.400 A 18 GLN HA H 1 4.330 0.020 A 18 GLN HBy H 1 2.072 0.020 A 18 GLN HBx H 1 1.927 0.020 A 18 GLN HG2 H 1 2.321 0.020 A 18 GLN HG3 H 1 2.321 0.020 A 18 GLN CA C 13 55.618 0.400 A 18 GLN CB C 13 29.551 0.400 A 18 GLN CG C 13 33.813 0.400 A 19 ILE H H 1 8.311 0.020 A 19 ILE HA H 1 4.391 0.020 A 19 ILE HB H 1 1.822 0.020 A 19 ILE HD1% H 1 0.829 0.020 A 19 ILE HG1y H 1 1.476 0.020 A 19 ILE HG1x H 1 1.151 0.020 A 19 ILE HG2% H 1 0.926 0.020 A 19 ILE CA C 13 58.717 0.400 A 19 ILE CB C 13 38.465 0.400 A 19 ILE CD1 C 13 12.609 0.400 A 19 ILE CG1 C 13 26.984 0.400 A 19 ILE CG2 C 13 16.900 0.400 A 19 ILE N N 15 124.521 0.400 A 20 PRO HA H 1 4.383 0.020 A 20 PRO HBy H 1 2.304 0.020 A 20 PRO HBx H 1 1.892 0.020 A 20 PRO HDy H 1 3.890 0.020 A 20 PRO HDx H 1 3.645 0.020 A 20 PRO HGy H 1 2.022 0.020 A 20 PRO HGx H 1 1.983 0.020 A 20 PRO CA C 13 63.079 0.400 A 20 PRO CB C 13 32.211 0.400 A 20 PRO CD C 13 51.111 0.400 A 20 PRO CG C 13 27.462 0.400 A 21 ALA H H 1 8.583 0.020 A 21 ALA HA H 1 4.251 0.020 A 21 ALA HB% H 1 1.405 0.020 A 21 ALA CA C 13 52.951 0.400 A 21 ALA CB C 13 19.009 0.400 A 21 ALA N N 15 125.242 0.400 A 22 SER H H 1 8.399 0.020 A 22 SER HA H 1 3.851 0.020 A 22 SER HB2 H 1 4.391 0.020 A 22 SER HB3 H 1 4.391 0.020 A 22 SER CA C 13 58.460 0.400 A 22 SER CB C 13 63.744 0.400 A 22 SER N N 15 114.635 0.400 A 23 GLU H H 1 8.488 0.020 A 23 GLU HA H 1 4.313 0.020 A 23 GLU HBy H 1 2.102 0.020 A 23 GLU HBx H 1 1.935 0.020 A 23 GLU CA C 13 56.549 0.400 A 23 GLU CB C 13 29.947 0.400 A 23 GLU N N 15 122.663 0.400 A 24 GLN H H 1 8.327 0.020 A 24 GLN CA C 13 56.388 0.400 A 24 GLN CB C 13 29.579 0.400 A 24 GLN N N 15 120.746 0.400 A 25 GLU CA C 13 56.318 0.400 A 25 GLU CB C 13 30.668 0.400 A 26 THR H H 1 8.368 0.020 A 26 THR HA H 1 4.118 0.020 A 26 THR HB H 1 4.246 0.020 A 26 THR HG2% H 1 1.231 0.020 A 26 THR CA C 13 63.422 0.400 A 26 THR CB C 13 69.839 0.400 A 26 THR CG2 C 13 21.576 0.400 A 26 THR N N 15 118.733 0.400 A 27 LEU H H 1 8.467 0.020 A 27 LEU HA H 1 4.759 0.020 A 27 LEU HBy H 1 1.726 0.020 A 27 LEU HBx H 1 1.239 0.020 A 27 LEU HDx% H 1 0.848 0.020 A 27 LEU HDy% H 1 0.724 0.020 A 27 LEU HG H 1 1.638 0.020 A 27 LEU CA C 13 53.926 0.400 A 27 LEU CB C 13 43.175 0.400 A 27 LEU CD1 C 13 25.336 0.400 A 27 LEU CD2 C 13 23.470 0.400 A 27 LEU CG C 13 26.885 0.400 A 27 LEU N N 15 126.160 0.400 A 28 VAL H H 1 9.896 0.020 A 28 VAL HA H 1 4.722 0.020 A 28 VAL HB H 1 2.198 0.020 A 28 VAL HGx% H 1 0.892 0.020 A 28 VAL HGy% H 1 0.742 0.020 A 28 VAL CA C 13 59.080 0.400 A 28 VAL CB C 13 34.392 0.400 A 28 VAL CG1 C 13 21.148 0.400 A 28 VAL CG2 C 13 18.412 0.400 A 28 VAL N N 15 117.252 0.400 A 29 ARG H H 1 9.111 0.020 A 29 ARG HA H 1 5.218 0.020 A 29 ARG HBy H 1 2.001 0.020 A 29 ARG HBx H 1 1.751 0.020 A 29 ARG HDy H 1 3.308 0.020 A 29 ARG HDx H 1 3.053 0.020 A 29 ARG HGy H 1 1.646 0.020 A 29 ARG HGx H 1 1.497 0.020 A 29 ARG CA C 13 52.544 0.400 A 29 ARG CB C 13 32.751 0.400 A 29 ARG CD C 13 43.363 0.400 A 29 ARG CG C 13 27.584 0.400 A 29 ARG N N 15 122.567 0.400 A 32 PRO HA H 1 4.094 0.020 A 32 PRO HBy H 1 2.388 0.020 A 32 PRO HBx H 1 1.924 0.020 A 32 PRO HG2 H 1 2.204 0.020 A 32 PRO CA C 13 67.170 0.400 A 32 PRO CB C 13 32.741 0.400 A 32 PRO CD C 13 50.285 0.400 A 32 PRO CG C 13 27.739 0.400 A 33 LEU H H 1 8.806 0.020 A 33 LEU HA H 1 4.208 0.020 A 33 LEU HBy H 1 1.801 0.020 A 33 LEU HBx H 1 1.511 0.020 A 33 LEU HDx% H 1 0.923 0.020 A 33 LEU HDy% H 1 0.831 0.020 A 33 LEU HG H 1 1.653 0.020 A 33 LEU CA C 13 58.299 0.400 A 33 LEU CB C 13 41.232 0.400 A 33 LEU CD1 C 13 24.589 0.400 A 33 LEU CD2 C 13 23.469 0.400 A 33 LEU CG C 13 27.168 0.400 A 33 LEU N N 15 118.835 0.400 A 34 LEU H H 1 7.749 0.020 A 34 LEU HA H 1 4.055 0.020 A 34 LEU HB2 H 1 1.402 0.020 A 34 LEU HDx% H 1 0.870 0.020 A 34 LEU HDy% H 1 0.839 0.020 A 34 LEU HG H 1 1.449 0.020 A 34 LEU CA C 13 57.006 0.400 A 34 LEU CB C 13 40.439 0.400 A 34 LEU CD1 C 13 26.077 0.400 A 34 LEU CD2 C 13 22.927 0.400 A 34 LEU CG C 13 27.443 0.400 A 34 LEU N N 15 119.527 0.400 A 35 LEU H H 1 8.667 0.020 A 35 LEU HA H 1 3.830 0.020 A 35 LEU HBy H 1 1.932 0.020 A 35 LEU HBx H 1 1.396 0.020 A 35 LEU HDx% H 1 1.040 0.020 A 35 LEU HDy% H 1 1.179 0.020 A 35 LEU HG H 1 1.582 0.020 A 35 LEU CA C 13 58.219 0.400 A 35 LEU CB C 13 41.507 0.400 A 35 LEU CD1 C 13 25.292 0.400 A 35 LEU CD2 C 13 23.934 0.400 A 35 LEU CG C 13 26.569 0.400 A 35 LEU N N 15 119.928 0.400 A 36 LYS H H 1 7.953 0.020 A 36 LYS HA H 1 3.848 0.020 A 36 LYS HBy H 1 2.074 0.020 A 36 LYS HBx H 1 1.904 0.020 A 36 LYS HD2 H 1 2.943 0.020 A 36 LYS HD3 H 1 2.943 0.020 A 36 LYS HGy H 1 1.516 0.020 A 36 LYS HGx H 1 1.264 0.020 A 36 LYS CA C 13 59.677 0.400 A 36 LYS CB C 13 32.300 0.400 A 36 LYS CD C 13 29.859 0.400 A 36 LYS CE C 13 41.897 0.400 A 36 LYS CG C 13 24.901 0.400 A 36 LYS N N 15 118.343 0.400 A 37 LEU H H 1 7.523 0.020 A 37 LEU HA H 1 3.706 0.020 A 37 LEU HB2 H 1 1.492 0.020 A 37 LEU HB3 H 1 1.492 0.020 A 37 LEU HDx% H 1 0.222 0.020 A 37 LEU HDy% H 1 0.050 0.020 A 37 LEU HG H 1 0.861 0.020 A 37 LEU CA C 13 59.875 0.400 A 37 LEU CB C 13 41.170 0.400 A 37 LEU CD1 C 13 24.597 0.400 A 37 LEU CD2 C 13 27.494 0.400 A 37 LEU CG C 13 27.428 0.400 A 37 LEU N N 15 121.579 0.400 A 38 LEU H H 1 8.376 0.020 A 38 LEU HA H 1 3.591 0.020 A 38 LEU HBy H 1 1.676 0.020 A 38 LEU HBx H 1 0.901 0.020 A 38 LEU HDx% H 1 0.555 0.020 A 38 LEU HDy% H 1 0.225 0.020 A 38 LEU HG H 1 1.836 0.020 A 38 LEU CA C 13 58.117 0.400 A 38 LEU CB C 13 39.584 0.400 A 38 LEU CD1 C 13 22.831 0.400 A 38 LEU CD2 C 13 25.700 0.400 A 38 LEU CG C 13 26.009 0.400 A 38 LEU N N 15 120.817 0.400 A 39 LYS H H 1 8.825 0.020 A 39 LYS HA H 1 4.305 0.020 A 39 LYS HB2 H 1 1.828 0.020 A 39 LYS HB3 H 1 1.828 0.020 A 39 LYS CA C 13 59.290 0.400 A 39 LYS CB C 13 32.095 0.400 A 39 LYS CD C 13 29.585 0.400 A 39 LYS CG C 13 25.883 0.400 A 39 LYS N N 15 117.615 0.400 A 40 SER H H 1 7.968 0.020 A 40 SER HA H 1 4.417 0.020 A 40 SER HB2 H 1 4.167 0.020 A 40 SER HB3 H 1 4.167 0.020 A 40 SER CA C 13 61.764 0.400 A 40 SER CB C 13 62.840 0.400 A 40 SER N N 15 117.257 0.400 A 41 VAL H H 1 7.257 0.020 A 41 VAL HA H 1 4.797 0.020 A 41 VAL HB H 1 2.767 0.020 A 41 VAL HGx% H 1 1.295 0.020 A 41 VAL HGy% H 1 1.053 0.020 A 41 VAL CA C 13 60.545 0.400 A 41 VAL CB C 13 30.873 0.400 A 41 VAL CG1 C 13 19.742 0.400 A 41 VAL CG2 C 13 22.374 0.400 A 41 VAL N N 15 112.959 0.400 A 42 GLY H H 1 7.489 0.020 A 42 GLY HAy H 1 4.494 0.020 A 42 GLY HAx H 1 3.726 0.020 A 42 GLY CA C 13 45.513 0.400 A 42 GLY N N 15 106.007 0.400 A 43 ALA H H 1 7.285 0.020 A 43 ALA HA H 1 4.005 0.020 A 43 ALA HB% H 1 0.577 0.020 A 43 ALA CA C 13 53.438 0.400 A 43 ALA CB C 13 18.598 0.400 A 43 ALA N N 15 125.114 0.400 A 44 GLN H H 1 8.881 0.020 A 44 GLN HA H 1 4.596 0.020 A 44 GLN HBy H 1 2.350 0.020 A 44 GLN HBx H 1 1.817 0.020 A 44 GLN HGy H 1 2.446 0.020 A 44 GLN HGx H 1 2.340 0.020 A 44 GLN CA C 13 55.699 0.400 A 44 GLN CB C 13 31.343 0.400 A 44 GLN CG C 13 33.560 0.400 A 44 GLN N N 15 117.389 0.400 A 45 LYS H H 1 7.383 0.020 A 45 LYS HA H 1 4.712 0.020 A 45 LYS HBy H 1 1.740 0.020 A 45 LYS HBx H 1 1.374 0.020 A 45 LYS HE2 H 1 2.903 0.020 A 45 LYS HE3 H 1 2.903 0.020 A 45 LYS HGy H 1 1.266 0.020 A 45 LYS HGx H 1 1.132 0.020 A 45 LYS CA C 13 55.501 0.400 A 45 LYS CB C 13 35.143 0.400 A 45 LYS CD C 13 29.720 0.400 A 45 LYS CE C 13 41.598 0.400 A 45 LYS CG C 13 24.437 0.400 A 45 LYS N N 15 117.973 0.400 A 46 ASP HA H 1 4.980 0.020 A 46 ASP HBy H 1 2.723 0.020 A 46 ASP HBx H 1 2.647 0.020 A 46 ASP CA C 13 55.167 0.400 A 46 ASP CB C 13 42.182 0.400 A 47 THR H H 1 6.966 0.020 A 47 THR HA H 1 5.025 0.020 A 47 THR HB H 1 3.996 0.020 A 47 THR HG2% H 1 1.074 0.020 A 47 THR CA C 13 59.584 0.400 A 47 THR CB C 13 71.849 0.400 A 47 THR CG2 C 13 21.940 0.400 A 47 THR N N 15 109.235 0.400 A 48 TYR H H 1 8.635 0.020 A 48 TYR HA H 1 4.924 0.020 A 48 TYR HBy H 1 3.652 0.020 A 48 TYR HBx H 1 2.135 0.020 A 48 TYR CA C 13 57.810 0.400 A 48 TYR CB C 13 46.248 0.400 A 48 TYR N N 15 117.638 0.400 A 49 THR H H 1 9.277 0.020 A 49 THR HA H 1 5.112 0.020 A 49 THR HB H 1 4.806 0.020 A 49 THR HG2% H 1 1.274 0.020 A 49 THR CA C 13 60.730 0.400 A 49 THR CB C 13 70.803 0.400 A 49 THR CG2 C 13 22.449 0.400 A 49 THR N N 15 111.656 0.400 A 50 MET H H 1 9.554 0.020 A 50 MET HA H 1 4.481 0.020 A 50 MET HE% H 1 1.891 0.020 A 50 MET CA C 13 57.190 0.400 A 50 MET CB C 13 29.949 0.400 A 50 MET CE C 13 16.293 0.400 A 50 MET N N 15 121.950 0.400 A 51 LYS H H 1 8.478 0.020 A 51 LYS HA H 1 3.965 0.020 A 51 LYS HBy H 1 1.884 0.020 A 51 LYS HBx H 1 1.827 0.020 A 51 LYS HGy H 1 1.575 0.020 A 51 LYS HGx H 1 1.419 0.020 A 51 LYS CA C 13 60.249 0.400 A 51 LYS CB C 13 32.595 0.400 A 51 LYS CD C 13 29.440 0.400 A 51 LYS CG C 13 25.448 0.400 A 51 LYS N N 15 118.032 0.400 A 52 GLU H H 1 8.047 0.020 A 52 GLU CA C 13 59.621 0.400 A 52 GLU CB C 13 31.733 0.400 A 52 GLU N N 15 120.286 0.400 A 53 VAL H H 1 8.383 0.020 A 53 VAL HA H 1 3.388 0.020 A 53 VAL HB H 1 2.488 0.020 A 53 VAL HGx% H 1 0.842 0.020 A 53 VAL HGy% H 1 0.852 0.020 A 53 VAL CA C 13 68.130 0.400 A 53 VAL CB C 13 31.205 0.400 A 53 VAL CG1 C 13 22.658 0.400 A 53 VAL CG2 C 13 21.693 0.400 A 53 VAL N N 15 119.733 0.400 A 54 LEU H H 1 8.612 0.020 A 54 LEU HDx% H 1 0.571 0.020 A 54 LEU HDy% H 1 0.722 0.020 A 54 LEU HG H 1 1.746 0.020 A 54 LEU CA C 13 58.490 0.400 A 54 LEU CB C 13 41.216 0.400 A 54 LEU CD1 C 13 23.018 0.400 A 54 LEU CD2 C 13 25.811 0.400 A 54 LEU CG C 13 27.139 0.400 A 54 LEU N N 15 117.367 0.400 A 55 PHE H H 1 8.427 0.020 A 55 PHE HA H 1 4.433 0.020 A 55 PHE HBy H 1 3.286 0.020 A 55 PHE HBx H 1 3.116 0.020 A 55 PHE CA C 13 61.653 0.400 A 55 PHE CB C 13 38.700 0.400 A 55 PHE N N 15 122.765 0.400 A 56 TYR H H 1 8.628 0.020 A 56 TYR HA H 1 3.942 0.020 A 56 TYR HBy H 1 2.969 0.020 A 56 TYR HBx H 1 2.799 0.020 A 56 TYR HD1 H 1 7.187 0.020 A 56 TYR HD2 H 1 7.187 0.020 A 56 TYR HE1 H 1 7.041 0.020 A 56 TYR HE2 H 1 7.041 0.020 A 56 TYR CA C 13 62.948 0.400 A 56 TYR CB C 13 38.727 0.400 A 56 TYR CD1 C 13 133.298 0.400 A 56 TYR N N 15 119.383 0.400 A 57 LEU H H 1 8.866 0.020 A 57 LEU HA H 1 3.944 0.020 A 57 LEU HBy H 1 1.921 0.020 A 57 LEU HBx H 1 1.814 0.020 A 57 LEU HDx% H 1 0.869 0.020 A 57 LEU HDy% H 1 0.842 0.020 A 57 LEU HG H 1 1.760 0.020 A 57 LEU CA C 13 58.326 0.400 A 57 LEU CB C 13 42.771 0.400 A 57 LEU CD1 C 13 25.272 0.400 A 57 LEU CD2 C 13 25.371 0.400 A 57 LEU CG C 13 27.087 0.400 A 57 LEU N N 15 120.850 0.400 A 58 GLY H H 1 8.354 0.020 A 58 GLY HAy H 1 3.228 0.020 A 58 GLY HAx H 1 2.483 0.020 A 58 GLY CA C 13 46.351 0.400 A 58 GLY N N 15 106.768 0.400 A 59 GLN H H 1 7.668 0.020 A 59 GLN HA H 1 3.854 0.020 A 59 GLN HB2 H 1 2.103 0.020 A 59 GLN HB3 H 1 2.103 0.020 A 59 GLN HE2y H 1 7.385 0.020 A 59 GLN HE2x H 1 6.985 0.020 A 59 GLN HGy H 1 1.917 0.020 A 59 GLN HGx H 1 1.679 0.020 A 59 GLN CA C 13 58.288 0.400 A 59 GLN CB C 13 28.461 0.400 A 59 GLN CG C 13 33.866 0.400 A 59 GLN N N 15 119.028 0.400 A 59 GLN NE2 N 15 115.680 0.400 A 60 TYR H H 1 8.652 0.020 A 60 TYR HD1 H 1 6.686 0.020 A 60 TYR HD2 H 1 6.686 0.020 A 60 TYR HE1 H 1 6.307 0.020 A 60 TYR HE2 H 1 6.307 0.020 A 60 TYR CA C 13 62.800 0.400 A 60 TYR CB C 13 38.530 0.400 A 60 TYR CD2 C 13 117.757 0.400 A 60 TYR CE1 C 13 133.077 0.400 A 60 TYR N N 15 123.972 0.400 A 61 ILE H H 1 8.033 0.020 A 61 ILE HA H 1 3.070 0.020 A 61 ILE HB H 1 1.389 0.020 A 61 ILE HD1% H 1 0.551 0.020 A 61 ILE HG12 H 1 0.142 0.020 A 61 ILE HG13 H 1 0.142 0.020 A 61 ILE HG2% H 1 0.137 0.020 A 61 ILE CA C 13 65.899 0.400 A 61 ILE CB C 13 37.826 0.400 A 61 ILE CD1 C 13 14.579 0.400 A 61 ILE CG1 C 13 30.566 0.400 A 61 ILE CG2 C 13 19.061 0.400 A 61 ILE N N 15 118.923 0.400 A 62 MET H H 1 8.188 0.020 A 62 MET HA H 1 3.961 0.020 A 62 MET HB2 H 1 2.150 0.020 A 62 MET HB3 H 1 2.150 0.020 A 62 MET HGy H 1 2.687 0.020 A 62 MET HGx H 1 2.496 0.020 A 62 MET CA C 13 59.671 0.400 A 62 MET CB C 13 33.546 0.400 A 62 MET CG C 13 32.733 0.400 A 62 MET N N 15 116.136 0.400 A 63 THR H H 1 8.561 0.020 A 63 THR HA H 1 3.947 0.020 A 63 THR HB H 1 4.093 0.020 A 63 THR HG2% H 1 1.252 0.020 A 63 THR CA C 13 66.131 0.400 A 63 THR CB C 13 69.288 0.400 A 63 THR CG2 C 13 21.319 0.400 A 63 THR N N 15 115.445 0.400 A 64 LYS H H 1 7.566 0.020 A 64 LYS HA H 1 3.995 0.020 A 64 LYS HBy H 1 1.553 0.020 A 64 LYS HBx H 1 1.217 0.020 A 64 LYS HDy H 1 1.213 0.020 A 64 LYS HDx H 1 1.080 0.020 A 64 LYS HE2 H 1 2.795 0.020 A 64 LYS HE3 H 1 2.795 0.020 A 64 LYS HGy H 1 0.981 0.020 A 64 LYS HGx H 1 0.809 0.020 A 64 LYS CA C 13 56.222 0.400 A 64 LYS CB C 13 31.144 0.400 A 64 LYS CD C 13 28.488 0.400 A 64 LYS CE C 13 41.963 0.400 A 64 LYS CG C 13 24.936 0.400 A 64 LYS N N 15 118.359 0.400 A 65 ARG H H 1 7.495 0.020 A 65 ARG HA H 1 3.272 0.020 A 65 ARG HB2 H 1 1.715 0.020 A 65 ARG HB3 H 1 1.715 0.020 A 65 ARG HDy H 1 3.143 0.020 A 65 ARG HDx H 1 3.066 0.020 A 65 ARG CA C 13 56.344 0.400 A 65 ARG CB C 13 26.420 0.400 A 65 ARG CD C 13 43.142 0.400 A 65 ARG CG C 13 27.365 0.400 A 65 ARG N N 15 117.228 0.400 A 66 LEU H H 1 7.446 0.020 A 66 LEU HA H 1 4.225 0.020 A 66 LEU HBy H 1 2.029 0.020 A 66 LEU HBx H 1 1.258 0.020 A 66 LEU HD1% H 1 0.722 0.020 A 66 LEU HG H 1 1.303 0.020 A 66 LEU CA C 13 55.221 0.400 A 66 LEU CB C 13 41.930 0.400 A 66 LEU CD1 C 13 21.396 0.400 A 66 LEU CG C 13 26.477 0.400 A 66 LEU N N 15 113.387 0.400 A 67 TYR H H 1 6.193 0.020 A 67 TYR HA H 1 5.199 0.020 A 67 TYR HBy H 1 3.102 0.020 A 67 TYR HBx H 1 1.983 0.020 A 67 TYR HD1 H 1 6.743 0.020 A 67 TYR HD2 H 1 6.743 0.020 A 67 TYR HE1 H 1 7.085 0.020 A 67 TYR HE2 H 1 7.085 0.020 A 67 TYR CA C 13 53.662 0.400 A 67 TYR CB C 13 39.181 0.400 A 67 TYR CD2 C 13 117.941 0.400 A 67 TYR CE1 C 13 133.150 0.400 A 67 TYR N N 15 112.524 0.400 A 68 ASP H H 1 8.656 0.020 A 68 ASP HA H 1 4.418 0.020 A 68 ASP HBy H 1 3.389 0.020 A 68 ASP HBx H 1 2.382 0.020 A 68 ASP CA C 13 54.174 0.400 A 68 ASP CB C 13 42.901 0.400 A 68 ASP N N 15 123.815 0.400 A 69 GLU H H 1 8.695 0.020 A 69 GLU HA H 1 4.014 0.020 A 69 GLU HBy H 1 2.122 0.020 A 69 GLU HBx H 1 2.006 0.020 A 69 GLU HG2 H 1 2.319 0.020 A 69 GLU HG3 H 1 2.319 0.020 A 69 GLU CA C 13 59.606 0.400 A 69 GLU CB C 13 30.122 0.400 A 69 GLU CG C 13 36.167 0.400 A 69 GLU N N 15 124.512 0.400 A 70 LYS H H 1 8.233 0.020 A 70 LYS HA H 1 4.471 0.020 A 70 LYS HB2 H 1 1.944 0.020 A 70 LYS HD2 H 1 1.728 0.020 A 70 LYS HD3 H 1 1.728 0.020 A 70 LYS HE2 H 1 3.020 0.020 A 70 LYS HE3 H 1 3.020 0.020 A 70 LYS HGy H 1 1.559 0.020 A 70 LYS HGx H 1 1.460 0.020 A 70 LYS CA C 13 57.113 0.400 A 70 LYS CB C 13 33.430 0.400 A 70 LYS CD C 13 28.886 0.400 A 70 LYS CE C 13 42.069 0.400 A 70 LYS CG C 13 25.305 0.400 A 70 LYS N N 15 115.928 0.400 A 71 GLN H H 1 8.479 0.020 A 71 GLN HA H 1 4.709 0.020 A 71 GLN HBx H 1 1.819 0.020 A 71 GLN HBy H 1 1.877 0.020 A 71 GLN HG2 H 1 2.213 0.020 A 71 GLN HG3 H 1 2.213 0.020 A 71 GLN CA C 13 53.981 0.400 A 71 GLN CB C 13 29.264 0.400 A 71 GLN CG C 13 33.640 0.400 A 71 GLN N N 15 122.137 0.400 A 72 GLN H H 1 8.470 0.020 A 72 GLN HA H 1 4.712 0.020 A 72 GLN HBx H 1 1.805 0.020 A 72 GLN HBy H 1 2.294 0.020 A 72 GLN HGx H 1 2.701 0.020 A 72 GLN HGy H 1 3.162 0.020 A 72 GLN CA C 13 59.553 0.400 A 72 GLN CB C 13 26.431 0.400 A 72 GLN CG C 13 33.454 0.400 A 72 GLN N N 15 118.771 0.400 A 73 HIS H H 1 7.580 0.020 A 73 HIS HA H 1 4.591 0.020 A 73 HIS HBy H 1 3.216 0.020 A 73 HIS HBx H 1 2.884 0.020 A 73 HIS CA C 13 55.568 0.400 A 73 HIS CB C 13 31.140 0.400 A 73 HIS N N 15 107.762 0.400 A 74 ILE H H 1 7.997 0.020 A 74 ILE HA H 1 4.065 0.020 A 74 ILE HB H 1 1.675 0.020 A 74 ILE HD1% H 1 0.602 0.020 A 74 ILE HG1y H 1 0.606 0.020 A 74 ILE HG1x H 1 0.330 0.020 A 74 ILE HG2% H 1 0.110 0.020 A 74 ILE CA C 13 60.355 0.400 A 74 ILE CB C 13 36.969 0.400 A 74 ILE CD1 C 13 11.748 0.400 A 74 ILE CG1 C 13 26.186 0.400 A 74 ILE CG2 C 13 16.199 0.400 A 74 ILE N N 15 123.627 0.400 A 75 VAL H H 1 8.317 0.020 A 75 VAL HA H 1 3.677 0.020 A 75 VAL HB H 1 0.241 0.020 A 75 VAL HGx% H 1 0.514 0.020 A 75 VAL HGy% H 1 0.247 0.020 A 75 VAL CA C 13 60.825 0.400 A 75 VAL CB C 13 32.335 0.400 A 75 VAL CG1 C 13 21.997 0.400 A 75 VAL CG2 C 13 22.210 0.400 A 75 VAL N N 15 125.536 0.400 A 76 TYR H H 1 8.286 0.020 A 76 TYR HA H 1 4.651 0.020 A 76 TYR HBy H 1 3.182 0.020 A 76 TYR HBx H 1 2.884 0.020 A 76 TYR HD1 H 1 7.090 0.020 A 76 TYR HD2 H 1 7.090 0.020 A 76 TYR HE1 H 1 6.752 0.020 A 76 TYR HE2 H 1 6.752 0.020 A 76 TYR CA C 13 61.439 0.400 A 76 TYR CB C 13 38.643 0.400 A 76 TYR CD1 C 13 132.866 0.400 A 76 TYR N N 15 125.565 0.400 A 77 CYS H H 1 8.469 0.020 A 77 CYS HA H 1 4.792 0.020 A 77 CYS HBy H 1 3.394 0.020 A 77 CYS HBx H 1 2.226 0.020 A 77 CYS CA C 13 56.171 0.400 A 77 CYS CB C 13 29.070 0.400 A 77 CYS N N 15 116.918 0.400 A 78 SER H H 1 7.806 0.020 A 78 SER HA H 1 4.350 0.020 A 78 SER HB2 H 1 3.955 0.020 A 78 SER HB3 H 1 3.955 0.020 A 78 SER CA C 13 59.984 0.400 A 78 SER CB C 13 63.259 0.400 A 78 SER N N 15 116.190 0.400 A 79 ASN HA H 1 4.633 0.020 A 79 ASN HBy H 1 2.969 0.020 A 79 ASN HBx H 1 2.776 0.020 A 79 ASN HD2y H 1 7.687 0.020 A 79 ASN HD2x H 1 6.938 0.020 A 79 ASN CA C 13 53.536 0.400 A 79 ASN CB C 13 37.889 0.400 A 79 ASN ND2 N 15 113.907 0.400 A 80 ASP H H 1 7.695 0.020 A 80 ASP HA H 1 4.865 0.020 A 80 ASP HB2 H 1 2.386 0.020 A 80 ASP HB3 H 1 2.386 0.020 A 80 ASP CA C 13 53.262 0.400 A 80 ASP CB C 13 47.111 0.400 A 80 ASP N N 15 118.119 0.400 A 81 LEU H H 1 8.583 0.020 A 81 LEU HA H 1 4.229 0.020 A 81 LEU HB2 H 1 1.661 0.020 A 81 LEU HB3 H 1 1.661 0.020 A 81 LEU HDx% H 1 0.826 0.020 A 81 LEU HDy% H 1 0.970 0.020 A 81 LEU HG H 1 1.457 0.020 A 81 LEU CA C 13 58.210 0.400 A 81 LEU CB C 13 42.285 0.400 A 81 LEU CD1 C 13 25.186 0.400 A 81 LEU CD2 C 13 23.732 0.400 A 81 LEU CG C 13 27.199 0.400 A 81 LEU N N 15 129.630 0.400 A 82 LEU H H 1 9.935 0.020 A 82 LEU HA H 1 3.678 0.020 A 82 LEU HB2 H 1 1.634 0.020 A 82 LEU HDx% H 1 0.731 0.020 A 82 LEU HDy% H 1 0.129 0.020 A 82 LEU HG H 1 1.386 0.020 A 82 LEU CA C 13 58.055 0.400 A 82 LEU CB C 13 42.490 0.400 A 82 LEU CD1 C 13 26.412 0.400 A 82 LEU CD2 C 13 22.648 0.400 A 82 LEU CG C 13 26.342 0.400 A 82 LEU N N 15 118.377 0.400 A 83 GLY H H 1 7.852 0.020 A 83 GLY HAy H 1 4.185 0.020 A 83 GLY HAx H 1 4.130 0.020 A 83 GLY CA C 13 47.928 0.400 A 83 GLY N N 15 106.970 0.400 A 84 ASP H H 1 7.606 0.020 A 84 ASP HA H 1 4.425 0.020 A 84 ASP HBy H 1 2.945 0.020 A 84 ASP HBx H 1 2.674 0.020 A 84 ASP CA C 13 56.925 0.400 A 84 ASP CB C 13 40.098 0.400 A 84 ASP N N 15 123.256 0.400 A 85 LEU H H 1 8.039 0.020 A 85 LEU HA H 1 4.147 0.020 A 85 LEU HBy H 1 1.679 0.020 A 85 LEU HBx H 1 1.472 0.020 A 85 LEU HDx% H 1 0.648 0.020 A 85 LEU HDy% H 1 0.596 0.020 A 85 LEU HG H 1 1.691 0.020 A 85 LEU CA C 13 57.252 0.400 A 85 LEU CB C 13 41.605 0.400 A 85 LEU CD1 C 13 24.534 0.400 A 85 LEU CD2 C 13 26.715 0.400 A 85 LEU CG C 13 26.461 0.400 A 85 LEU N N 15 118.775 0.400 A 86 PHE H H 1 8.685 0.020 A 86 PHE HA H 1 4.533 0.020 A 86 PHE HBy H 1 3.781 0.020 A 86 PHE HBx H 1 3.214 0.020 A 86 PHE CA C 13 56.831 0.400 A 86 PHE CB C 13 38.187 0.400 A 86 PHE N N 15 117.692 0.400 A 87 GLY H H 1 8.341 0.020 A 87 GLY HA2 H 1 3.997 0.020 A 87 GLY HA3 H 1 3.998 0.020 A 87 GLY CA C 13 46.403 0.400 A 87 GLY N N 15 108.119 0.400 A 88 VAL H H 1 7.151 0.020 A 88 VAL HA H 1 5.014 0.020 A 88 VAL HB H 1 2.449 0.020 A 88 VAL HGx% H 1 1.069 0.020 A 88 VAL HGy% H 1 0.808 0.020 A 88 VAL CA C 13 57.074 0.400 A 88 VAL CB C 13 34.907 0.400 A 88 VAL CG1 C 13 22.829 0.400 A 88 VAL CG2 C 13 18.927 0.400 A 88 VAL N N 15 108.539 0.400 A 89 PRO HA H 1 4.490 0.020 A 89 PRO HBy H 1 2.326 0.020 A 89 PRO HBx H 1 2.178 0.020 A 89 PRO HDy H 1 4.034 0.020 A 89 PRO HDx H 1 3.841 0.020 A 89 PRO CA C 13 63.290 0.400 A 89 PRO CB C 13 32.126 0.400 A 89 PRO CD C 13 50.460 0.400 A 89 PRO CG C 13 26.754 0.400 A 90 SER H H 1 7.340 0.020 A 90 SER HA H 1 5.449 0.020 A 90 SER HBy H 1 4.089 0.020 A 90 SER HBx H 1 3.630 0.020 A 90 SER CA C 13 56.830 0.400 A 90 SER CB C 13 65.061 0.400 A 90 SER N N 15 111.503 0.400 A 91 PHE H H 1 8.490 0.020 A 91 PHE HA H 1 4.903 0.020 A 91 PHE HBy H 1 3.140 0.020 A 91 PHE HBx H 1 3.073 0.020 A 91 PHE HD1 H 1 7.128 0.020 A 91 PHE HD2 H 1 7.128 0.020 A 91 PHE HE1 H 1 6.904 0.020 A 91 PHE HE2 H 1 6.904 0.020 A 91 PHE CA C 13 56.704 0.400 A 91 PHE CB C 13 40.454 0.400 A 91 PHE CD2 C 13 128.170 0.400 A 91 PHE CE1 C 13 132.741 0.400 A 91 PHE N N 15 114.715 0.400 A 92 SER H H 1 8.746 0.020 A 92 SER HA H 1 5.815 0.020 A 92 SER HBy H 1 3.956 0.020 A 92 SER HBx H 1 3.790 0.020 A 92 SER CA C 13 53.850 0.400 A 92 SER CB C 13 64.337 0.400 A 92 SER N N 15 112.135 0.400 A 93 VAL H H 1 10.537 0.020 A 93 VAL HA H 1 4.069 0.020 A 93 VAL HB H 1 2.141 0.020 A 93 VAL HGx% H 1 1.479 0.020 A 93 VAL HGy% H 1 1.168 0.020 A 93 VAL CA C 13 64.409 0.400 A 93 VAL CB C 13 32.670 0.400 A 93 VAL CG1 C 13 23.665 0.400 A 93 VAL CG2 C 13 23.239 0.400 A 93 VAL N N 15 128.542 0.400 A 94 LYS H H 1 8.006 0.020 A 94 LYS HA H 1 4.156 0.020 A 94 LYS HBy H 1 1.957 0.020 A 94 LYS HBx H 1 1.550 0.020 A 94 LYS HDy H 1 1.473 0.020 A 94 LYS HDx H 1 1.334 0.020 A 94 LYS HEy H 1 2.522 0.020 A 94 LYS HEx H 1 2.267 0.020 A 94 LYS HGy H 1 1.320 0.020 A 94 LYS HGx H 1 1.233 0.020 A 94 LYS CA C 13 57.434 0.400 A 94 LYS CB C 13 32.351 0.400 A 94 LYS CD C 13 29.018 0.400 A 94 LYS CE C 13 41.491 0.400 A 94 LYS CG C 13 25.988 0.400 A 94 LYS N N 15 113.211 0.400 A 95 GLU H H 1 7.610 0.020 A 95 GLU HA H 1 4.541 0.020 A 95 GLU HBy H 1 2.404 0.020 A 95 GLU HBx H 1 2.192 0.020 A 95 GLU HGy H 1 2.333 0.020 A 95 GLU HGx H 1 2.171 0.020 A 95 GLU CA C 13 54.536 0.400 A 95 GLU CB C 13 27.570 0.400 A 95 GLU CG C 13 36.428 0.400 A 95 GLU N N 15 120.897 0.400 A 96 HIS H H 1 7.573 0.020 A 96 HIS CA C 13 59.300 0.400 A 96 HIS CB C 13 31.294 0.400 A 96 HIS N N 15 120.577 0.400 A 97 ARG HA H 1 4.041 0.020 A 97 ARG HB2 H 1 1.845 0.020 A 97 ARG HB3 H 1 1.845 0.020 A 97 ARG CA C 13 59.364 0.400 A 97 ARG CB C 13 28.976 0.400 A 97 ARG CD C 13 42.955 0.400 A 97 ARG CG C 13 27.066 0.400 A 98 LYS H H 1 7.564 0.020 A 98 LYS HA H 1 4.024 0.020 A 98 LYS HB2 H 1 1.971 0.020 A 98 LYS HB3 H 1 1.971 0.020 A 98 LYS HD2 H 1 1.752 0.020 A 98 LYS HD3 H 1 1.752 0.020 A 98 LYS HE2 H 1 3.019 0.020 A 98 LYS HE3 H 1 3.019 0.020 A 98 LYS HGy H 1 1.569 0.020 A 98 LYS HGx H 1 1.418 0.020 A 98 LYS CA C 13 59.445 0.400 A 98 LYS CB C 13 32.440 0.400 A 98 LYS CD C 13 29.505 0.400 A 98 LYS CE C 13 42.067 0.400 A 98 LYS CG C 13 25.613 0.400 A 98 LYS N N 15 119.203 0.400 A 99 ILE H H 1 7.534 0.020 A 99 ILE HA H 1 3.158 0.020 A 99 ILE HB H 1 1.735 0.020 A 99 ILE HD1% H 1 1.026 0.020 A 99 ILE HG1y H 1 1.719 0.020 A 99 ILE HG1x H 1 0.696 0.020 A 99 ILE HG2% H 1 0.517 0.020 A 99 ILE CA C 13 65.558 0.400 A 99 ILE CB C 13 37.203 0.400 A 99 ILE CD1 C 13 15.045 0.400 A 99 ILE CG1 C 13 29.282 0.400 A 99 ILE CG2 C 13 16.662 0.400 A 99 ILE N N 15 119.815 0.400 A 100 TYR H H 1 7.822 0.020 A 100 TYR HA H 1 3.844 0.020 A 100 TYR HB2 H 1 2.932 0.020 A 100 TYR HB3 H 1 2.932 0.020 A 100 TYR HD1 H 1 7.001 0.020 A 100 TYR HD2 H 1 7.001 0.020 A 100 TYR HE1 H 1 6.562 0.020 A 100 TYR HE2 H 1 6.562 0.020 A 100 TYR CA C 13 62.399 0.400 A 100 TYR CB C 13 36.968 0.400 A 100 TYR CD2 C 13 132.214 0.400 A 100 TYR CE2 C 13 117.584 0.400 A 100 TYR N N 15 117.378 0.400 A 101 THR H H 1 8.150 0.020 A 101 THR HA H 1 3.897 0.020 A 101 THR HB H 1 4.255 0.020 A 101 THR HG2% H 1 1.236 0.020 A 101 THR CA C 13 67.236 0.400 A 101 THR CB C 13 68.781 0.400 A 101 THR CG2 C 13 21.654 0.400 A 101 THR N N 15 114.634 0.400 A 102 MET H H 1 7.741 0.020 A 102 MET HA H 1 3.692 0.020 A 102 MET HE% H 1 1.218 0.020 A 102 MET CA C 13 59.971 0.400 A 102 MET CB C 13 30.449 0.400 A 102 MET CE C 13 15.407 0.400 A 102 MET N N 15 120.935 0.400 A 103 ILE H H 1 7.924 0.020 A 103 ILE HA H 1 3.405 0.020 A 103 ILE HB H 1 1.762 0.020 A 103 ILE HD1% H 1 0.654 0.020 A 103 ILE HG1y H 1 1.859 0.020 A 103 ILE HG1x H 1 0.641 0.020 A 103 ILE HG2% H 1 0.701 0.020 A 103 ILE CA C 13 66.696 0.400 A 103 ILE CB C 13 37.731 0.400 A 103 ILE CD1 C 13 15.067 0.400 A 103 ILE CG1 C 13 29.937 0.400 A 103 ILE CG2 C 13 17.296 0.400 A 103 ILE N N 15 119.603 0.400 A 104 TYR H H 1 8.863 0.020 A 104 TYR HA H 1 4.143 0.020 A 104 TYR HBy H 1 3.154 0.020 A 104 TYR HBx H 1 3.119 0.020 A 104 TYR HD1 H 1 7.146 0.020 A 104 TYR HD2 H 1 7.146 0.020 A 104 TYR HE1 H 1 6.791 0.020 A 104 TYR HE2 H 1 6.791 0.020 A 104 TYR CA C 13 61.474 0.400 A 104 TYR CB C 13 37.360 0.400 A 104 TYR CD1 C 13 132.531 0.400 A 104 TYR CE2 C 13 117.793 0.400 A 104 TYR N N 15 119.183 0.400 A 105 ARG H H 1 7.540 0.020 A 105 ARG HA H 1 4.347 0.020 A 105 ARG HB2 H 1 1.994 0.020 A 105 ARG HB3 H 1 1.994 0.020 A 105 ARG HD2 H 1 3.221 0.020 A 105 ARG HD3 H 1 3.221 0.020 A 105 ARG HG2 H 1 1.844 0.020 A 105 ARG HG3 H 1 1.844 0.020 A 105 ARG CA C 13 58.366 0.400 A 105 ARG CB C 13 30.345 0.400 A 105 ARG CD C 13 43.836 0.400 A 105 ARG CG C 13 27.727 0.400 A 105 ARG N N 15 116.526 0.400 A 106 ASN H H 1 8.369 0.020 A 106 ASN HA H 1 4.828 0.020 A 106 ASN HBy H 1 3.181 0.020 A 106 ASN HBx H 1 2.653 0.020 A 106 ASN HD2y H 1 7.752 0.020 A 106 ASN HD2x H 1 7.113 0.020 A 106 ASN CA C 13 54.375 0.400 A 106 ASN CB C 13 41.987 0.400 A 106 ASN N N 15 117.310 0.400 A 106 ASN ND2 N 15 115.181 0.400 A 107 LEU H H 1 7.295 0.020 A 107 LEU HA H 1 4.998 0.020 A 107 LEU HBy H 1 1.787 0.020 A 107 LEU HBx H 1 1.440 0.020 A 107 LEU HDx% H 1 0.590 0.020 A 107 LEU HDy% H 1 0.721 0.020 A 107 LEU HG H 1 2.077 0.020 A 107 LEU CA C 13 53.585 0.400 A 107 LEU CB C 13 43.653 0.400 A 107 LEU CD1 C 13 22.074 0.400 A 107 LEU CD2 C 13 25.737 0.400 A 107 LEU N N 15 118.221 0.400 A 108 VAL H H 1 9.067 0.020 A 108 VAL HA H 1 3.973 0.020 A 108 VAL HB H 1 2.064 0.020 A 108 VAL HG1% H 1 0.961 0.020 A 108 VAL CA C 13 63.403 0.400 A 108 VAL CB C 13 32.361 0.400 A 108 VAL CG1 C 13 21.606 0.400 A 108 VAL N N 15 122.315 0.400 A 109 VAL H H 1 8.000 0.020 A 109 VAL HA H 1 4.165 0.020 A 109 VAL HB H 1 2.102 0.020 A 109 VAL HGx% H 1 0.939 0.020 A 109 VAL HGy% H 1 0.918 0.020 A 109 VAL CA C 13 63.726 0.400 A 109 VAL CB C 13 33.592 0.400 A 109 VAL CG1 C 13 21.740 0.400 A 109 VAL CG2 C 13 20.258 0.400 A 109 VAL N N 15 131.242 0.400 B 301 ASP H1 H 1 8.628 0.020 B 301 ASP HA H 1 4.650 0.020 B 301 ASP HB2 H 1 2.712 0.020 B 301 ASP HB3 H 1 2.712 0.020 B 301 ASP CA C 13 54.340 0.400 B 301 ASP CB C 13 41.181 0.400 B 301 ASP N N 15 122.515 0.400 B 302 GLY H H 1 8.530 0.020 B 302 GLY HAx H 1 3.953 0.020 B 302 GLY HAy H 1 3.959 0.020 B 302 GLY CA C 13 45.579 0.400 B 302 GLY N N 15 109.641 0.400 B 303 GLY H H 1 8.387 0.020 B 303 GLY HAy H 1 3.895 0.020 B 303 GLY HAx H 1 3.832 0.020 B 303 GLY CA C 13 45.388 0.400 B 303 GLY N N 15 108.879 0.400 B 304 THR H H 1 8.192 0.020 B 304 THR HA H 1 4.172 0.020 B 304 THR HB H 1 4.334 0.020 B 304 THR HG2% H 1 1.241 0.020 B 304 THR CA C 13 61.902 0.400 B 304 THR CB C 13 69.727 0.400 B 304 THR CG2 C 13 21.921 0.400 B 304 THR N N 15 113.007 0.400 B 305 THR H H 1 7.979 0.020 B 305 THR HA H 1 4.428 0.020 B 305 THR HG2% H 1 1.251 0.020 B 305 THR CA C 13 61.912 0.400 B 305 THR N N 15 115.291 0.400 B 306 PHE H H 1 8.984 0.020 B 306 PHE HA H 1 3.678 0.020 B 306 PHE HBy H 1 2.530 0.020 B 306 PHE HBx H 1 2.016 0.020 B 306 PHE HD1 H 1 6.692 0.020 B 306 PHE HD2 H 1 6.692 0.020 B 306 PHE HE1 H 1 6.905 0.020 B 306 PHE HE2 H 1 6.905 0.020 B 306 PHE HZ H 1 6.984 0.020 B 306 PHE CA C 13 62.715 0.400 B 306 PHE CB C 13 38.050 0.400 B 306 PHE CZ C 13 119.387 0.400 B 306 PHE N N 15 122.586 0.400 B 307 GLU HA H 1 3.590 0.020 B 307 GLU HBy H 1 2.105 0.020 B 307 GLU HBx H 1 1.943 0.020 B 307 GLU HGy H 1 2.298 0.020 B 307 GLU HGx H 1 2.243 0.020 B 307 GLU CA C 13 60.104 0.400 B 307 GLU CB C 13 29.533 0.400 B 307 GLU CG C 13 36.703 0.400 B 308 HIS H H 1 7.629 0.020 B 308 HIS HA H 1 4.311 0.020 B 308 HIS HB2 H 1 3.156 0.020 B 308 HIS HB3 H 1 3.156 0.020 B 308 HIS CA C 13 58.979 0.400 B 308 HIS CB C 13 30.104 0.400 B 308 HIS N N 15 118.645 0.400 B 309 LEU H H 1 8.291 0.020 B 309 LEU HA H 1 3.859 0.020 B 309 LEU HBy H 1 1.755 0.020 B 309 LEU HBx H 1 1.140 0.020 B 309 LEU HDx% H 1 0.813 0.020 B 309 LEU HDy% H 1 0.720 0.020 B 309 LEU HG H 1 1.698 0.020 B 309 LEU CA C 13 57.689 0.400 B 309 LEU CB C 13 42.394 0.400 B 309 LEU CD1 C 13 23.276 0.400 B 309 LEU CD2 C 13 26.603 0.400 B 309 LEU CG C 13 26.656 0.400 B 309 LEU N N 15 121.826 0.400 B 310 TRP H H 1 9.264 0.020 B 310 TRP HA H 1 3.681 0.020 B 310 TRP HBy H 1 2.658 0.020 B 310 TRP HBx H 1 2.218 0.020 B 310 TRP HD1 H 1 7.048 0.020 B 310 TRP HE1 H 1 9.876 0.020 B 310 TRP HE3 H 1 7.423 0.020 B 310 TRP HZ2 H 1 6.900 0.020 B 310 TRP CA C 13 59.799 0.400 B 310 TRP CB C 13 28.823 0.400 B 310 TRP CD1 C 13 126.694 0.400 B 310 TRP CE3 C 13 114.341 0.400 B 310 TRP CZ2 C 13 122.317 0.400 B 310 TRP N N 15 122.242 0.400 B 310 TRP NE1 N 15 128.651 0.400 B 311 SER H H 1 7.807 0.020 B 311 SER HA H 1 4.222 0.020 B 311 SER HB2 H 1 4.039 0.020 B 311 SER HB3 H 1 4.039 0.020 B 311 SER CA C 13 61.035 0.400 B 311 SER CB C 13 63.199 0.400 B 311 SER N N 15 112.323 0.400 B 312 SER H H 1 7.181 0.020 B 312 SER HA H 1 4.346 0.020 B 312 SER HB2 H 1 3.904 0.020 B 312 SER HB3 H 1 3.904 0.020 B 312 SER CA C 13 58.947 0.400 B 312 SER CB C 13 63.667 0.400 B 312 SER N N 15 115.087 0.400 B 313 LEU H H 1 6.958 0.020 B 313 LEU HA H 1 3.359 0.020 B 313 LEU HBy H 1 1.161 0.020 B 313 LEU HBx H 1 1.053 0.020 B 313 LEU HDx% H 1 0.205 0.020 B 313 LEU HDy% H 1 -0.155 0.020 B 313 LEU HG H 1 1.012 0.020 B 313 LEU CA C 13 56.754 0.400 B 313 LEU CB C 13 41.431 0.400 B 313 LEU CD1 C 13 24.386 0.400 B 313 LEU CD2 C 13 24.432 0.400 B 313 LEU CG C 13 27.637 0.400 B 313 LEU N N 15 122.467 0.400 B 314 GLU H H 1 7.547 0.020 B 314 GLU HA H 1 4.541 0.020 B 314 GLU HBy H 1 1.952 0.020 B 314 GLU HBx H 1 1.765 0.020 B 314 GLU HG2 H 1 2.184 0.020 B 314 GLU HG3 H 1 2.184 0.020 B 314 GLU CA C 13 53.819 0.400 B 314 GLU CB C 13 30.847 0.400 B 314 GLU CG C 13 35.857 0.400 B 314 GLU N N 15 122.905 0.400 B 315 PRO HA H 1 3.961 0.020 B 315 PRO HBy H 1 1.853 0.020 B 315 PRO HBx H 1 1.798 0.020 B 315 PRO HDy H 1 3.599 0.020 B 315 PRO HDx H 1 3.552 0.020 B 315 PRO HGy H 1 1.905 0.020 B 315 PRO HGx H 1 1.687 0.020 B 315 PRO CA C 13 63.077 0.400 B 315 PRO CB C 13 31.711 0.400 B 315 PRO CD C 13 50.227 0.400 B 315 PRO CG C 13 27.046 0.400 B 316 ASP H H 1 7.738 0.020 B 316 ASP HA H 1 4.253 0.020 B 316 ASP HBy H 1 2.496 0.020 B 316 ASP HBx H 1 2.421 0.020 B 316 ASP CA C 13 55.694 0.400 B 316 ASP CB C 13 42.089 0.400 B 316 ASP N N 15 125.509 0.400 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin 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 47 THR HB A 48 TYR HA 1.0 0.0 4.07 2 2 A 47 THR HB A 27 LEU HDx% 1.0 0.0 4.03 3 3 A 47 THR HB A 27 LEU HDy% 1.0 0.0 4.03 4 4 A 47 THR HB A 27 LEU HA 1.0 0.0 5.00 5 5 A 47 THR HB A 27 LEU HG 1.0 0.0 4.94 6 6 A 53 VAL HA A 53 VAL HGx% 1.0 0.0 3.54 7 7 A 53 VAL HA A 53 VAL HGy% 1.0 0.0 3.54 8 8 A 53 VAL HA A 56 TYR HD% 1.0 0.0 5.00 9 9 A 101 THR HA A 104 TYR HE% 1.0 0.0 5.00 10 10 A 101 THR HA A 105 ARG H 1.0 0.0 4.90 11 11 A 32 PRO HA A 35 LEU HDy% 1.0 0.0 5.00 12 12 A 32 PRO HA A 35 LEU HDx% 1.0 0.0 5.00 13 13 A 101 THR HA A 101 THR HG2% 1.0 0.0 3.71 14 14 A 103 ILE HA A 106 ASN HBx 1.0 0.0 5.00 15 15 A 103 ILE HA A 103 ILE HG1x 1.0 0.0 4.17 16 16 A 103 ILE HA A 103 ILE HG2% 1.0 0.0 3.10 17 17 A 63 THR HA A 62 MET HB2 1.0 0.0 4.34 18 17 A 62 MET HB3 A 63 THR HA 1.0 0.0 4.34 19 18 A 61 ILE HA A 61 ILE HD1% 1.0 0.0 4.13 20 19 A 99 ILE HA A 99 ILE HG1x 1.0 0.0 4.21 21 20 A 61 ILE HA A 66 LEU HBy 1.0 0.0 3.96 22 21 A 61 ILE HA A 67 TYR HD% 1.0 0.0 5.00 23 22 A 76 TYR HA A 90 SER HBy 1.0 0.0 4.79 24 23 A 76 TYR HA A 90 SER HBx 1.0 0.0 4.79 25 24 A 74 ILE HG2% A 90 SER HBy 1.0 0.0 5.00 26 25 A 91 PHE HE% A 93 VAL HA 1.0 0.0 4.88 27 26 A 109 VAL HA A 109 VAL HGx% 1.0 0.0 2.95 28 27 A 109 VAL HA A 109 VAL HGy% 1.0 0.0 2.95 29 28 A 7 SER HA A 7 SER HB2 1.0 0.0 2.45 30 28 A 7 SER HA A 7 SER HB3 1.0 0.0 2.45 31 29 A 56 TYR HD% A 56 TYR HA 1.0 0.0 3.78 32 30 A 56 TYR HA A 56 TYR HE% 1.0 0.0 5.00 33 31 A 50 MET HE% A 100 TYR HA 1.0 0.0 4.89 34 32 A 100 TYR HA A 103 ILE HB 1.0 0.0 4.61 35 33 A 14 VAL HA A 14 VAL HGx% 1.0 0.0 3.88 36 34 A 14 VAL HA A 14 VAL HGy% 1.0 0.0 3.88 37 35 A 10 THR HA A 10 THR HG2% 1.0 0.0 2.80 38 36 A 15 THR HA A 15 THR HG2% 1.0 0.0 3.39 39 37 A 49 THR HA A 49 THR HG2% 1.0 0.0 3.59 40 38 A 41 VAL HA A 59 GLN HB2 1.0 0.0 4.40 41 38 A 41 VAL HA A 59 GLN HB3 1.0 0.0 4.40 42 39 A 103 ILE HG2% A 104 TYR HA 1.0 0.0 3.67 43 40 A 51 LYS HA A 54 LEU H 1.0 0.0 5.00 44 41 A 101 THR HB A 102 MET HA 1.0 0.0 4.83 45 42 A 102 MET HA A 105 ARG HD2 1.0 0.0 3.94 46 42 A 102 MET HA A 105 ARG HD3 1.0 0.0 3.94 47 43 A 51 LYS HA A 54 LEU HDy% 1.0 0.0 4.48 48 44 A 102 MET HA A 105 ARG HB2 1.0 0.0 3.65 49 44 A 102 MET HA A 105 ARG HB3 1.0 0.0 3.65 50 45 A 102 MET HA A 102 MET HE% 1.0 0.0 4.39 51 46 A 37 LEU HA A 37 LEU HDx% 1.0 0.0 4.54 52 47 A 74 ILE HA A 75 VAL HB 1.0 0.0 4.93 53 48 A 36 LYS HA A 36 LYS HGx 1.0 0.0 3.93 54 49 A 36 LYS HA A 36 LYS HGy 1.0 0.0 3.93 55 50 A 103 ILE HG1x A 102 MET HA 1.0 0.0 5.00 56 51 A 102 MET HA A 105 ARG HG2 1.0 0.0 5.00 57 51 A 102 MET HA A 105 ARG HG3 1.0 0.0 5.00 58 52 A 62 MET HA B 306 PHE HD% 1.0 0.0 4.07 59 53 B 305 THR HG2% B 308 HIS HA 1.0 0.0 4.58 60 54 A 101 THR HG2% A 98 LYS HA 1.0 0.0 4.18 61 55 A 98 LYS HA A 98 LYS HGx 1.0 0.0 3.80 62 56 A 98 LYS HA A 98 LYS HGy 1.0 0.0 3.80 63 57 A 36 LYS HA A 39 LYS HB2 1.0 0.0 4.79 64 57 A 36 LYS HA A 39 LYS HB3 1.0 0.0 4.79 65 58 A 98 LYS HA A 98 LYS HE2 1.0 0.0 4.39 66 58 A 98 LYS HA A 98 LYS HE3 1.0 0.0 4.39 67 59 A 28 VAL HA A 28 VAL HGx% 1.0 0.0 3.32 68 60 A 28 VAL HA A 28 VAL HGy% 1.0 0.0 3.32 69 61 A 19 ILE HA A 19 ILE HG2% 1.0 0.0 3.30 70 62 A 81 LEU HA A 81 LEU HDx% 1.0 0.0 3.36 71 63 A 35 LEU HA A 38 LEU HDy% 1.0 0.0 5.00 72 64 A 35 LEU HA A 43 ALA HB% 1.0 0.0 5.00 73 65 A 35 LEU HA A 35 LEU HDx% 1.0 0.0 3.68 74 66 A 35 LEU HA A 38 LEU HBx 1.0 0.0 4.57 75 67 A 35 LEU HA A 38 LEU HBy 1.0 0.0 4.57 76 68 A 38 LEU HA A 38 LEU HDx% 1.0 0.0 4.20 77 69 A 37 LEU HDx% A 38 LEU HA 1.0 0.0 3.85 78 70 A 38 LEU HA A 38 LEU HDy% 1.0 0.0 4.20 79 71 A 82 LEU HA A 81 LEU HB2 1.0 0.0 4.15 80 71 A 81 LEU HB3 A 82 LEU HA 1.0 0.0 4.15 81 72 A 38 LEU HA A 38 LEU HG 1.0 0.0 4.08 82 73 A 81 LEU HA A 84 ASP HBx 1.0 0.0 4.02 83 74 A 81 LEU HA A 84 ASP HBy 1.0 0.0 4.02 84 75 A 19 ILE HA A 20 PRO HDx 1.0 0.0 2.45 85 76 A 53 VAL HA A 57 LEU HA 1.0 0.0 5.00 86 77 A 76 TYR HA A 76 TYR HE% 1.0 0.0 4.94 87 78 A 82 LEU HA A 82 LEU HDx% 1.0 0.0 4.54 88 79 A 34 LEU HA A 37 LEU HG 1.0 0.0 3.95 89 80 A 76 TYR HA A 90 SER HA 1.0 0.0 4.52 90 81 A 70 LYS HA A 70 LYS HB2 1.0 0.0 2.93 91 82 A 85 LEU HA A 85 LEU HG 1.0 0.0 4.09 92 83 A 94 LYS HA A 94 LYS HDx 1.0 0.0 4.47 93 84 A 64 LYS HA A 64 LYS HGx 1.0 0.0 3.90 94 85 A 64 LYS HA A 64 LYS HE2 1.0 0.0 4.38 95 85 A 64 LYS HA A 64 LYS HE3 1.0 0.0 4.38 96 86 A 64 LYS HA A 64 LYS HGy 1.0 0.0 3.46 97 87 A 66 LEU HBy A 65 ARG HA 1.0 0.0 5.00 98 88 A 44 GLN HA A 44 GLN HGy 1.0 0.0 3.91 99 89 A 44 GLN HA A 44 GLN HGx 1.0 0.0 3.91 100 90 A 18 GLN HA A 18 GLN HG2 1.0 0.0 3.50 101 90 A 18 GLN HA A 18 GLN HG3 1.0 0.0 3.50 102 91 A 95 GLU HA A 96 HIS H 1.0 0.0 3.48 103 92 A 11 ASP HA A 11 ASP HB2 1.0 0.0 2.97 104 92 A 11 ASP HA A 11 ASP HB3 1.0 0.0 2.97 105 93 A 76 TYR HE% A 68 ASP HA 1.0 0.0 4.35 106 94 A 74 ILE HA A 92 SER HA 1.0 0.0 3.86 107 95 A 68 ASP HA A 70 LYS H 1.0 0.0 5.00 108 96 A 92 SER HA A 93 VAL HGy% 1.0 0.0 5.00 109 97 A 92 SER HA A 93 VAL HGx% 1.0 0.0 5.00 110 98 A 67 TYR HA A 75 VAL HA 1.0 0.0 5.00 111 99 A 67 TYR HA A 75 VAL HGx% 1.0 0.0 5.00 112 100 A 67 TYR HA A 75 VAL HGy% 1.0 0.0 5.00 113 101 A 70 LYS HB2 A 71 GLN HA 1.0 0.0 4.44 114 102 A 43 ALA HA A 44 GLN HGy 1.0 0.0 4.92 115 103 A 43 ALA HA A 44 GLN HGx 1.0 0.0 4.92 116 104 A 43 ALA HA A 44 GLN HBy 1.0 0.0 4.92 117 105 A 8 VAL HA A 9 PRO HDy 1.0 0.0 2.84 118 106 A 19 ILE HA A 20 PRO HDy 1.0 0.0 2.80 119 107 A 8 VAL HA A 9 PRO HDx 1.0 0.0 2.55 120 108 A 19 ILE HG2% A 20 PRO HDy 1.0 0.0 3.24 121 109 A 9 PRO HDy A 8 VAL HB 1.0 0.0 3.02 122 110 A 9 PRO HDx A 8 VAL HB 1.0 0.0 3.46 123 111 A 19 ILE HG2% A 20 PRO HDx 1.0 0.0 3.72 124 112 A 9 PRO HDx A 8 VAL H 1.0 0.0 5.00 125 113 A 9 PRO HDy A 8 VAL H 1.0 0.0 5.00 126 114 A 88 VAL HGx% A 89 PRO HDy 1.0 0.0 4.19 127 115 A 88 VAL HGx% A 89 PRO HDx 1.0 0.0 3.24 128 116 A 89 PRO HDx A 88 VAL HB 1.0 0.0 3.71 129 117 A 89 PRO HDx A 88 VAL HGy% 1.0 0.0 4.84 130 118 A 43 ALA HB% A 42 GLY HAx 1.0 0.0 5.00 131 119 A 43 ALA HB% A 42 GLY HAy 1.0 0.0 5.00 132 120 A 41 VAL HA A 42 GLY HAy 1.0 0.0 5.00 133 121 A 41 VAL HA A 42 GLY HAx 1.0 0.0 5.00 134 122 A 12 GLY HAx A 11 ASP HB2 1.0 0.0 5.00 135 122 A 11 ASP HB3 A 12 GLY HAx 1.0 0.0 5.00 136 123 A 12 GLY HAy A 11 ASP HB2 1.0 0.0 5.00 137 123 A 11 ASP HB3 A 12 GLY HAy 1.0 0.0 5.00 138 124 A 105 ARG HA A 105 ARG HD2 1.0 0.0 4.28 139 124 A 105 ARG HD3 A 105 ARG HA 1.0 0.0 4.28 140 125 A 105 ARG HB2 A 105 ARG HD2 1.0 0.0 2.75 141 125 A 105 ARG HB3 A 105 ARG HD2 1.0 0.0 2.75 142 125 A 105 ARG HD3 A 105 ARG HB2 1.0 0.0 2.75 143 125 A 105 ARG HD3 A 105 ARG HB3 1.0 0.0 2.75 144 126 A 105 ARG H A 105 ARG HD2 1.0 0.0 4.47 145 126 A 105 ARG H A 105 ARG HD3 1.0 0.0 4.47 146 127 A 106 ASN HD2y A 105 ARG HD2 1.0 0.0 5.00 147 127 A 105 ARG HD3 A 106 ASN HD2y 1.0 0.0 5.00 148 128 A 106 ASN HD2x A 105 ARG HD2 1.0 0.0 5.00 149 128 A 105 ARG HD3 A 106 ASN HD2x 1.0 0.0 5.00 150 129 A 47 THR HG2% A 29 ARG HDy 1.0 0.0 5.00 151 130 A 47 THR HG2% A 29 ARG HDx 1.0 0.0 5.00 152 131 A 27 LEU HBx A 27 LEU HDy% 1.0 0.0 3.86 153 132 A 57 LEU H A 57 LEU HBx 1.0 0.0 4.07 154 133 A 107 LEU HBy A 107 LEU HDx% 1.0 0.0 3.67 155 134 A 27 LEU HBy A 27 LEU HDy% 1.0 0.0 3.86 156 135 A 27 LEU HBy A 27 LEU HDx% 1.0 0.0 3.86 157 136 A 47 THR HG2% A 27 LEU HBx 1.0 0.0 4.60 158 137 A 47 THR HG2% A 27 LEU HBy 1.0 0.0 4.60 159 138 A 76 TYR HE% A 68 ASP HBx 1.0 0.0 4.57 160 139 A 37 LEU HDx% A 57 LEU HBx 1.0 0.0 4.64 161 140 A 61 ILE HD1% A 57 LEU HBx 1.0 0.0 4.97 162 141 A 57 LEU HBy B 310 TRP HZ2 1.0 0.0 4.57 163 142 A 57 LEU HBx B 310 TRP HZ2 1.0 0.0 4.93 164 143 A 57 LEU HBx A 58 GLY H 1.0 0.0 5.00 165 144 A 57 LEU HBy A 56 TYR H 1.0 0.0 5.00 166 145 A 54 LEU H A 57 LEU HBx 1.0 0.0 5.00 167 146 A 70 LYS HD2 A 70 LYS HE2 1.0 0.0 2.40 168 146 A 70 LYS HD3 A 70 LYS HE2 1.0 0.0 2.40 169 146 A 70 LYS HE3 A 70 LYS HD2 1.0 0.0 2.40 170 146 A 70 LYS HD3 A 70 LYS HE3 1.0 0.0 2.40 171 147 A 106 ASN HBx A 34 LEU HDx% 1.0 0.0 4.28 172 148 A 64 LYS HGy A 64 LYS HE2 1.0 0.0 3.35 173 148 A 64 LYS HE3 A 64 LYS HGy 1.0 0.0 3.35 174 149 A 70 LYS HB2 A 70 LYS HE2 1.0 0.0 4.18 175 149 A 70 LYS HB2 A 70 LYS HE3 1.0 0.0 4.18 176 150 A 98 LYS HB2 A 98 LYS HE2 1.0 0.0 4.50 177 150 A 98 LYS HB3 A 98 LYS HE2 1.0 0.0 4.50 178 150 A 98 LYS HE3 A 98 LYS HB2 1.0 0.0 4.50 179 150 A 98 LYS HE3 A 98 LYS HB3 1.0 0.0 4.50 180 151 A 64 LYS HGx A 64 LYS HE2 1.0 0.0 4.11 181 151 A 64 LYS HGx A 64 LYS HE3 1.0 0.0 4.11 182 152 A 34 LEU HDx% A 106 ASN HBy 1.0 0.0 4.43 183 153 B 309 LEU HDx% A 94 LYS HEy 1.0 0.0 5.00 184 154 B 309 LEU HDx% A 94 LYS HEx 1.0 0.0 5.00 185 155 A 94 LYS HEx B 309 LEU HDy% 1.0 0.0 5.00 186 156 A 94 LYS HEy B 309 LEU HDy% 1.0 0.0 5.00 187 157 A 45 LYS HE2 A 45 LYS HGx 1.0 0.0 4.23 188 157 A 45 LYS HE3 A 45 LYS HGx 1.0 0.0 4.23 189 158 A 45 LYS HE3 A 45 LYS HBx 1.0 0.0 4.08 190 158 A 45 LYS HBx A 45 LYS HE2 1.0 0.0 4.08 191 159 A 45 LYS HE3 A 45 LYS HGy 1.0 0.0 4.23 192 159 A 45 LYS HGy A 45 LYS HE2 1.0 0.0 4.23 193 160 A 33 LEU HDx% A 33 LEU HBy 1.0 0.0 3.56 194 161 A 33 LEU HBy A 33 LEU HDy% 1.0 0.0 3.56 195 162 A 33 LEU HDx% A 33 LEU HBx 1.0 0.0 3.56 196 163 A 94 LYS H A 94 LYS HEy 1.0 0.0 5.00 197 164 A 94 LYS H A 94 LYS HEx 1.0 0.0 5.00 198 165 A 36 LYS H A 35 LEU HBy 1.0 0.0 4.48 199 166 A 73 HIS HA A 94 LYS HEy 1.0 0.0 5.00 200 167 A 73 HIS HA A 94 LYS HEx 1.0 0.0 5.00 201 168 A 94 LYS HA A 94 LYS HEy 1.0 0.0 5.00 202 169 A 94 LYS HA A 94 LYS HEx 1.0 0.0 5.00 203 170 A 73 HIS HBx A 94 LYS HEy 1.0 0.0 5.00 204 171 A 94 LYS HEx A 73 HIS HBx 1.0 0.0 5.00 205 172 A 73 HIS HBy A 94 LYS HEx 1.0 0.0 5.00 206 173 A 73 HIS HBy A 94 LYS HEy 1.0 0.0 5.00 207 174 A 82 LEU HA A 85 LEU HBx 1.0 0.0 5.00 208 175 A 37 LEU HDy% A 37 LEU HB2 1.0 0.0 4.06 209 175 A 37 LEU HB3 A 37 LEU HDy% 1.0 0.0 4.06 210 176 A 84 ASP HBy A 81 LEU HDy% 1.0 0.0 5.00 211 177 A 81 LEU HDx% A 84 ASP HBy 1.0 0.0 5.00 212 178 A 81 LEU HDy% A 84 ASP HBx 1.0 0.0 5.00 213 179 A 81 LEU HDx% A 84 ASP HBx 1.0 0.0 5.00 214 180 A 43 ALA HB% A 38 LEU HBy 1.0 0.0 4.72 215 181 A 43 ALA HB% A 38 LEU HBx 1.0 0.0 4.72 216 182 A 20 PRO HDy A 19 ILE HB 1.0 0.0 4.23 217 183 A 20 PRO HDx A 19 ILE HB 1.0 0.0 5.00 218 184 A 88 VAL HGy% A 86 PHE HBx 1.0 0.0 4.22 219 185 A 86 PHE HBy A 88 VAL H 1.0 0.0 4.54 220 186 A 88 VAL HGy% A 86 PHE HBy 1.0 0.0 3.84 221 187 A 99 ILE HB A 99 ILE HD1% 1.0 0.0 3.75 222 188 A 99 ILE HB A 99 ILE H 1.0 0.0 4.12 223 189 A 103 ILE HG2% A 104 TYR HBx 1.0 0.0 5.00 224 190 A 103 ILE HG2% A 104 TYR HBy 1.0 0.0 5.00 225 191 A 95 GLU H A 95 GLU HGx 1.0 0.0 3.99 226 192 A 89 PRO HDy A 88 VAL HB 1.0 0.0 4.50 227 193 A 45 LYS HE3 A 45 LYS HBy 1.0 0.0 4.08 228 193 A 45 LYS HBy A 45 LYS HE2 1.0 0.0 4.08 229 194 A 71 GLN H A 71 GLN HG2 1.0 0.0 3.90 230 194 A 71 GLN H A 71 GLN HG3 1.0 0.0 3.90 231 195 A 109 VAL H A 109 VAL HB 1.0 0.0 3.87 232 196 A 56 TYR HD% A 59 GLN HGx 1.0 0.0 4.58 233 197 A 56 TYR HD% A 59 GLN HGy 1.0 0.0 4.58 234 198 A 71 GLN HA A 71 GLN HG2 1.0 0.0 3.56 235 198 A 71 GLN HA A 71 GLN HG3 1.0 0.0 3.56 236 199 A 70 LYS HB2 A 70 LYS H 1.0 0.0 3.93 237 200 B 306 PHE HD% A 62 MET HGy 1.0 0.0 4.45 238 201 B 306 PHE HD% A 62 MET HGx 1.0 0.0 4.45 239 202 A 62 MET H A 62 MET HGx 1.0 0.0 4.50 240 203 A 62 MET HA A 62 MET HGy 1.0 0.0 3.92 241 204 A 62 MET HA A 62 MET HGx 1.0 0.0 3.92 242 205 A 14 VAL H A 14 VAL HB 1.0 0.0 3.73 243 206 A 8 VAL HA A 8 VAL HB 1.0 0.0 2.73 244 207 A 74 ILE HG2% A 75 VAL HB 1.0 0.0 5.00 245 208 A 75 VAL HB A 91 PHE HD% 1.0 0.0 3.72 246 209 A 64 LYS HE3 A 64 LYS HBy 1.0 0.0 5.00 247 209 A 64 LYS HBy A 64 LYS HE2 1.0 0.0 5.00 248 210 A 44 GLN HA A 44 GLN HBx 1.0 0.0 3.02 249 211 A 64 LYS HE3 A 64 LYS HBx 1.0 0.0 5.00 250 211 A 64 LYS HBx A 64 LYS HE2 1.0 0.0 5.00 251 212 A 41 VAL HB A 59 GLN HB2 1.0 0.0 3.77 252 212 A 59 GLN HB3 A 41 VAL HB 1.0 0.0 3.77 253 213 A 50 MET HE% A 103 ILE HG1y 1.0 0.0 4.15 254 214 A 105 ARG H A 105 ARG HB2 1.0 0.0 2.87 255 214 A 105 ARG H A 105 ARG HB3 1.0 0.0 2.87 256 215 A 82 LEU HDx% A 77 CYS HBy 1.0 0.0 5.00 257 216 A 82 LEU HDx% A 77 CYS HBx 1.0 0.0 5.00 258 217 A 99 ILE HG1x A 102 MET HE% 1.0 0.0 5.00 259 218 A 99 ILE HG1x A 99 ILE HG2% 1.0 0.0 3.95 260 219 A 98 LYS HA A 98 LYS HD2 1.0 0.0 4.45 261 219 A 98 LYS HA A 98 LYS HD3 1.0 0.0 4.45 262 220 A 94 LYS HA A 94 LYS HDy 1.0 0.0 4.47 263 221 A 64 LYS HA A 64 LYS HDx 1.0 0.0 4.03 264 222 A 94 LYS H A 94 LYS HDy 1.0 0.0 5.00 265 223 A 61 ILE HG2% A 77 CYS HBy 1.0 0.0 5.00 266 224 A 77 CYS HBy A 82 LEU HDy% 1.0 0.0 5.00 267 225 A 61 ILE HG2% A 77 CYS HBx 1.0 0.0 5.00 268 226 A 77 CYS HBx A 82 LEU HDy% 1.0 0.0 5.00 269 227 A 71 GLN H A 70 LYS HD2 1.0 0.0 4.78 270 227 A 70 LYS HD3 A 71 GLN H 1.0 0.0 4.78 271 228 A 64 LYS H A 64 LYS HDy 1.0 0.0 5.00 272 229 A 64 LYS HA A 64 LYS HDy 1.0 0.0 4.03 273 230 A 105 ARG HD3 A 105 ARG HG2 1.0 0.0 2.55 274 230 A 105 ARG HD2 A 105 ARG HG2 1.0 0.0 2.55 275 230 A 105 ARG HG3 A 105 ARG HD2 1.0 0.0 2.55 276 230 A 105 ARG HD3 A 105 ARG HG3 1.0 0.0 2.55 277 231 A 105 ARG HB2 A 105 ARG HG2 1.0 0.0 2.84 278 231 A 105 ARG HB3 A 105 ARG HG2 1.0 0.0 2.84 279 231 A 105 ARG HG3 A 105 ARG HB2 1.0 0.0 2.84 280 231 A 105 ARG HB3 A 105 ARG HG3 1.0 0.0 2.84 281 232 A 105 ARG HA A 105 ARG HG2 1.0 0.0 3.25 282 232 A 105 ARG HG3 A 105 ARG HA 1.0 0.0 3.25 283 233 A 32 PRO HG2 A 33 LEU HA 1.0 0.0 4.34 284 234 A 37 LEU HDy% A 34 LEU HG 1.0 0.0 3.39 285 235 A 37 LEU HA A 37 LEU HDy% 1.0 0.0 4.18 286 236 A 34 LEU HA A 37 LEU HDy% 1.0 0.0 3.41 287 237 A 19 ILE HA A 19 ILE HG1x 1.0 0.0 4.25 288 238 A 19 ILE HA A 19 ILE HG1y 1.0 0.0 4.25 289 239 A 57 LEU H A 57 LEU HG 1.0 0.0 4.87 290 240 A 58 GLY H A 57 LEU HG 1.0 0.0 5.00 291 241 A 51 LYS HA A 54 LEU HG 1.0 0.0 4.35 292 242 A 54 LEU HG B 311 SER HA 1.0 0.0 5.00 293 243 A 85 LEU HBy A 85 LEU HDy% 1.0 0.0 3.28 294 244 A 74 ILE HG2% A 74 ILE HG1x 1.0 0.0 3.56 295 245 A 38 LEU HG A 37 LEU HG 1.0 0.0 4.56 296 246 A 107 LEU HDx% A 28 VAL HB 1.0 0.0 3.84 297 247 A 98 LYS HGy A 98 LYS HE2 1.0 0.0 3.49 298 247 A 98 LYS HE3 A 98 LYS HGy 1.0 0.0 3.49 299 248 A 94 LYS H A 94 LYS HGx 1.0 0.0 4.96 300 249 A 91 PHE HD% A 82 LEU HDx% 1.0 0.0 4.67 301 250 A 70 LYS HD3 A 70 LYS HGy 1.0 0.0 2.83 302 250 A 70 LYS HGy A 70 LYS HD2 1.0 0.0 2.83 303 251 A 98 LYS HE2 A 98 LYS HGx 1.0 0.0 3.49 304 251 A 98 LYS HE3 A 98 LYS HGx 1.0 0.0 3.49 305 252 A 51 LYS H A 51 LYS HGy 1.0 0.0 4.65 306 253 A 35 LEU H A 35 LEU HDx% 1.0 0.0 4.38 307 254 A 81 LEU HB3 A 81 LEU HDx% 1.0 0.0 2.89 308 254 A 81 LEU HDx% A 81 LEU HB2 1.0 0.0 2.89 309 255 A 27 LEU HDx% A 27 LEU HBx 1.0 0.0 3.86 310 256 A 85 LEU HBy A 85 LEU HDx% 1.0 0.0 3.28 311 257 A 37 LEU HDx% A 34 LEU HG 1.0 0.0 4.66 312 258 A 37 LEU HDx% A 38 LEU HG 1.0 0.0 4.76 313 259 A 53 VAL HA A 37 LEU HDx% 1.0 0.0 5.00 314 260 A 85 LEU H A 85 LEU HDx% 1.0 0.0 4.02 315 261 A 81 LEU HB3 A 81 LEU HDy% 1.0 0.0 2.89 316 261 A 81 LEU HB2 A 81 LEU HDy% 1.0 0.0 2.89 317 262 A 35 LEU HA A 35 LEU HDy% 1.0 0.0 3.68 318 263 B 306 PHE HE% A 93 VAL HGx% 1.0 0.0 4.82 319 264 B 310 TRP HE3 A 93 VAL HGx% 1.0 0.0 4.25 320 265 A 33 LEU HBx A 33 LEU HDy% 1.0 0.0 3.56 321 266 A 93 VAL HA A 93 VAL HGx% 1.0 0.0 3.74 322 267 A 81 LEU HA A 81 LEU HDy% 1.0 0.0 3.36 323 268 A 93 VAL HA A 93 VAL HGy% 1.0 0.0 3.74 324 269 B 310 TRP HE3 A 93 VAL HGy% 1.0 0.0 4.25 325 270 B 306 PHE HE% A 93 VAL HGy% 1.0 0.0 4.82 326 271 A 27 LEU H A 27 LEU HDy% 1.0 0.0 3.89 327 272 A 51 LYS HA A 54 LEU HDx% 1.0 0.0 4.48 328 273 A 82 LEU HA A 82 LEU HDy% 1.0 0.0 4.54 329 274 A 91 PHE HD% A 82 LEU HDy% 1.0 0.0 4.67 330 275 A 91 PHE HD% A 75 VAL HGy% 1.0 0.0 3.95 331 276 A 47 THR HG2% A 47 THR HA 1.0 0.0 3.60 332 277 A 88 VAL HGx% A 88 VAL HA 1.0 0.0 3.88 333 278 A 41 VAL HA A 41 VAL HGy% 1.0 0.0 3.69 334 279 A 35 LEU HA A 38 LEU HDx% 1.0 0.0 5.00 335 280 A 107 LEU HBx A 107 LEU HDy% 1.0 0.0 3.41 336 281 A 28 VAL HA A 107 LEU HDy% 1.0 0.0 4.15 337 282 A 107 LEU HDy% A 107 LEU HA 1.0 0.0 4.18 338 283 A 75 VAL HA A 75 VAL HGy% 1.0 0.0 3.77 339 284 A 91 PHE HE% A 75 VAL HGy% 1.0 0.0 4.49 340 285 A 91 PHE HE% A 75 VAL HGx% 1.0 0.0 4.49 341 286 A 91 PHE HD% A 75 VAL HGx% 1.0 0.0 3.95 342 287 A 76 TYR H A 75 VAL HGy% 1.0 0.0 4.15 343 288 A 47 THR HG2% A 29 ARG HA 1.0 0.0 3.87 344 289 A 26 THR HA A 26 THR HG2% 1.0 0.0 2.76 345 290 A 63 THR HA A 63 THR HG2% 1.0 0.0 3.25 346 291 A 104 TYR HA A 107 LEU HDy% 1.0 0.0 4.08 347 292 A 75 VAL HA A 75 VAL HGx% 1.0 0.0 3.77 348 293 A 28 VAL HB A 107 LEU HDy% 1.0 0.0 3.93 349 294 A 61 ILE HG2% A 75 VAL HGx% 1.0 0.0 3.37 350 295 A 61 ILE HG2% A 75 VAL HGy% 1.0 0.0 3.37 351 296 A 41 VAL HA A 41 VAL HGx% 1.0 0.0 3.69 352 297 A 61 ILE HD1% A 61 ILE HG2% 1.0 0.0 3.00 353 298 A 61 ILE HG2% A 66 LEU HBx 1.0 0.0 4.30 354 299 A 43 ALA HB% A 39 LYS HB2 1.0 0.0 3.95 355 299 A 39 LYS HB3 A 43 ALA HB% 1.0 0.0 3.95 356 300 A 66 LEU HBy A 61 ILE HG2% 1.0 0.0 3.93 357 301 A 65 ARG HA A 61 ILE HG2% 1.0 0.0 5.00 358 302 A 61 ILE HA A 61 ILE HG2% 1.0 0.0 3.29 359 303 A 43 ALA HB% A 39 LYS HA 1.0 0.0 3.51 360 304 A 89 PRO HDy A 88 VAL HGy% 1.0 0.0 4.02 361 305 A 88 VAL HGy% A 86 PHE HA 1.0 0.0 5.00 362 306 A 88 VAL HGy% A 88 VAL HA 1.0 0.0 3.72 363 307 A 61 ILE HG2% A 66 LEU H 1.0 0.0 4.00 364 308 A 91 PHE HD% A 61 ILE HG2% 1.0 0.0 5.00 365 309 A 61 ILE HG2% B 306 PHE HE% 1.0 0.0 4.00 366 310 B 306 PHE HD% A 61 ILE HG2% 1.0 0.0 5.00 367 311 A 43 ALA HB% A 44 GLN H 1.0 0.0 3.66 368 312 A 56 TYR HE% A 43 ALA HB% 1.0 0.0 4.12 369 313 A 103 ILE HG2% A 103 ILE H 1.0 0.0 4.88 370 314 A 99 ILE HG2% A 103 ILE HD1% 1.0 0.0 2.86 371 315 A 50 MET HE% A 99 ILE HG2% 1.0 0.0 5.00 372 316 A 99 ILE HA A 99 ILE HG2% 1.0 0.0 3.36 373 317 A 91 PHE HE% A 99 ILE HG2% 1.0 0.0 4.13 374 318 A 50 MET HE% A 104 TYR H 1.0 0.0 5.00 375 319 A 50 MET HE% A 54 LEU H 1.0 0.0 5.00 376 320 A 50 MET HE% A 51 LYS H 1.0 0.0 5.00 377 321 A 50 MET HE% A 53 VAL H 1.0 0.0 5.00 378 322 A 50 MET HE% A 103 ILE H 1.0 0.0 5.00 379 323 A 50 MET HE% A 100 TYR HD% 1.0 0.0 3.35 380 324 A 50 MET HE% A 50 MET HA 1.0 0.0 3.95 381 325 A 103 ILE HG2% A 50 MET HE% 1.0 0.0 2.92 382 326 A 74 ILE HG2% A 74 ILE HG1y 1.0 0.0 3.56 383 327 A 74 ILE HG2% A 74 ILE HA 1.0 0.0 3.17 384 328 A 74 ILE HG2% A 76 TYR HE% 1.0 0.0 4.29 385 329 A 74 ILE HG2% A 90 SER HBx 1.0 0.0 5.00 386 330 A 74 ILE HG2% A 68 ASP HBx 1.0 0.0 4.04 387 331 A 102 MET HE% A 99 ILE H 1.0 0.0 4.00 388 332 A 102 MET HE% A 102 MET H 1.0 0.0 3.79 389 333 A 102 MET HE% A 103 ILE H 1.0 0.0 5.00 390 334 A 91 PHE HE% A 99 ILE HD1% 1.0 0.0 3.29 391 335 A 99 ILE HD1% A 91 PHE HD% 1.0 0.0 3.79 392 336 A 99 ILE HD1% A 99 ILE H 1.0 0.0 3.41 393 337 A 91 PHE HE% A 102 MET HE% 1.0 0.0 3.54 394 338 A 102 MET HE% A 91 PHE HD% 1.0 0.0 3.72 395 339 A 99 ILE HA A 102 MET HE% 1.0 0.0 2.98 396 340 A 102 MET HE% A 98 LYS HB2 1.0 0.0 3.11 397 340 A 102 MET HE% A 98 LYS HB3 1.0 0.0 3.11 398 341 A 50 MET HE% A 103 ILE HD1% 1.0 0.0 3.12 399 342 A 103 ILE HB A 103 ILE HD1% 1.0 0.0 3.24 400 343 A 102 MET HE% A 99 ILE HG2% 1.0 0.0 3.68 401 344 A 99 ILE HD1% A 99 ILE HG2% 1.0 0.0 2.68 402 345 A 103 ILE HD1% A 104 TYR H 1.0 0.0 5.00 403 346 A 103 ILE HD1% A 100 TYR HE% 1.0 0.0 4.83 404 347 A 99 ILE HD1% B 310 TRP HE3 1.0 0.0 4.54 405 348 A 93 VAL HA A 99 ILE HD1% 1.0 0.0 3.23 406 349 A 99 ILE HA A 99 ILE HD1% 1.0 0.0 3.44 407 350 A 103 ILE HA A 103 ILE HD1% 1.0 0.0 3.92 408 351 A 100 TYR HA A 103 ILE HD1% 1.0 0.0 3.45 409 352 A 102 MET HE% A 98 LYS HA 1.0 0.0 4.24 410 353 A 61 ILE HD1% A 61 ILE H 1.0 0.0 4.56 411 354 A 61 ILE HD1% A 91 PHE HE% 1.0 0.0 3.92 412 355 A 61 ILE HD1% B 306 PHE HE% 1.0 0.0 4.27 413 356 A 61 ILE HD1% A 67 TYR HD% 1.0 0.0 5.00 414 357 A 61 ILE HD1% B 310 TRP HE3 1.0 0.0 5.00 415 358 A 61 ILE HD1% A 61 ILE HB 1.0 0.0 3.46 416 359 A 19 ILE HB A 19 ILE HD1% 1.0 0.0 3.25 417 360 A 19 ILE HA A 19 ILE HD1% 1.0 0.0 4.16 418 361 A 74 ILE HG2% A 74 ILE HD1% 1.0 0.0 2.84 419 362 A 74 ILE HD1% A 74 ILE HB 1.0 0.0 3.38 420 363 A 74 ILE HD1% A 71 GLN HG2 1.0 0.0 4.99 421 363 A 71 GLN HG3 A 74 ILE HD1% 1.0 0.0 4.99 422 364 A 74 ILE HA A 74 ILE HD1% 1.0 0.0 3.36 423 365 A 92 SER HA A 74 ILE HD1% 1.0 0.0 3.70 424 366 A 76 TYR HE% A 74 ILE HD1% 1.0 0.0 5.00 425 367 A 74 ILE HD1% A 91 PHE H 1.0 0.0 5.00 426 368 A 74 ILE HD1% A 93 VAL H 1.0 0.0 4.87 427 369 A 10 THR HB A 11 ASP H 1.0 0.0 5.00 428 370 A 15 THR HA A 15 THR HB 1.0 0.0 2.57 429 371 A 53 VAL H A 53 VAL HGx% 1.0 0.0 3.90 430 372 A 70 LYS H A 69 GLU HBy 1.0 0.0 4.34 431 373 A 70 LYS H A 69 GLU HBx 1.0 0.0 4.34 432 374 A 74 ILE HB A 68 ASP HBy 1.0 0.0 5.00 433 375 A 70 LYS H A 71 GLN HG2 1.0 0.0 4.80 434 375 A 70 LYS H A 71 GLN HG3 1.0 0.0 4.80 435 376 A 70 LYS HA A 71 GLN HG2 1.0 0.0 4.95 436 376 A 70 LYS HA A 71 GLN HG3 1.0 0.0 4.95 437 377 A 69 GLU HA A 69 GLU HG2 1.0 0.0 3.39 438 377 A 69 GLU HA A 69 GLU HG3 1.0 0.0 3.39 439 378 A 68 ASP HA A 69 GLU HG2 1.0 0.0 4.09 440 378 A 68 ASP HA A 69 GLU HG3 1.0 0.0 4.09 441 379 A 71 GLN H A 69 GLU HG2 1.0 0.0 5.00 442 379 A 71 GLN H A 69 GLU HG3 1.0 0.0 5.00 443 380 A 69 GLU HG2 A 70 LYS HD2 1.0 0.0 4.60 444 380 A 69 GLU HG3 A 70 LYS HD2 1.0 0.0 4.60 445 380 A 70 LYS HD3 A 69 GLU HG2 1.0 0.0 4.60 446 380 A 70 LYS HD3 A 69 GLU HG3 1.0 0.0 4.60 447 381 A 64 LYS HA A 65 ARG HB2 1.0 0.0 5.00 448 381 A 64 LYS HA A 65 ARG HB3 1.0 0.0 5.00 449 382 A 70 LYS HA A 70 LYS HD2 1.0 0.0 3.36 450 382 A 70 LYS HA A 70 LYS HD3 1.0 0.0 3.36 451 383 A 70 LYS HB2 A 70 LYS HD2 1.0 0.0 3.45 452 383 A 70 LYS HB2 A 70 LYS HD3 1.0 0.0 3.45 453 384 A 70 LYS HD2 A 70 LYS HGx 1.0 0.0 2.83 454 384 A 70 LYS HD3 A 70 LYS HGx 1.0 0.0 2.83 455 385 A 100 TYR HD% A 100 TYR H 1.0 0.0 3.64 456 386 A 90 SER HA A 76 TYR HD% 1.0 0.0 4.43 457 387 A 76 TYR HD% A 90 SER HBx 1.0 0.0 3.96 458 388 A 76 TYR HD% A 90 SER HBy 1.0 0.0 3.96 459 389 A 56 TYR HD% A 38 LEU HDx% 1.0 0.0 5.00 460 390 A 56 TYR HD% A 37 LEU HDx% 1.0 0.0 5.00 461 391 A 56 TYR HD% A 38 LEU HDy% 1.0 0.0 5.00 462 392 A 67 TYR HD% A 71 GLN H 1.0 0.0 5.00 463 393 A 100 TYR HA A 100 TYR HE% 1.0 0.0 5.00 464 394 A 67 TYR HD% A 68 ASP HBy 1.0 0.0 4.89 465 395 A 67 TYR HD% A 68 ASP HBx 1.0 0.0 4.09 466 396 A 100 TYR HE% A 54 LEU HDy% 1.0 0.0 4.51 467 397 A 100 TYR HE% A 54 LEU HDx% 1.0 0.0 4.51 468 398 A 100 TYR HE% B 313 LEU HBy 1.0 0.0 4.98 469 399 A 50 MET HE% A 100 TYR HE% 1.0 0.0 3.92 470 400 A 99 ILE HB A 100 TYR HE% 1.0 0.0 4.14 471 401 A 60 TYR HD% A 61 ILE HG12 1.0 0.0 4.36 472 401 A 60 TYR HD% A 61 ILE HG13 1.0 0.0 4.36 473 402 A 100 TYR HA A 100 TYR HD% 1.0 0.0 3.59 474 403 A 100 TYR HD% A 97 ARG HA 1.0 0.0 3.97 475 404 A 103 ILE HD1% A 100 TYR HD% 1.0 0.0 3.53 476 405 A 74 ILE HG2% A 76 TYR HD% 1.0 0.0 4.08 477 406 A 107 LEU HDx% A 104 TYR HD% 1.0 0.0 3.85 478 407 A 107 LEU HDy% A 104 TYR HD% 1.0 0.0 3.87 479 408 A 101 THR HG2% A 104 TYR HD% 1.0 0.0 4.00 480 409 A 99 ILE HB A 100 TYR HD% 1.0 0.0 3.96 481 410 A 104 TYR HD% A 107 LEU HG 1.0 0.0 4.53 482 411 A 104 TYR HD% A 100 TYR HB2 1.0 0.0 5.00 483 411 A 104 TYR HD% A 100 TYR HB3 1.0 0.0 5.00 484 412 A 101 THR HA A 104 TYR HD% 1.0 0.0 3.77 485 413 A 104 TYR HA A 104 TYR HD% 1.0 0.0 3.59 486 414 A 76 TYR HA A 76 TYR HD% 1.0 0.0 3.50 487 415 A 68 ASP HA A 76 TYR HD% 1.0 0.0 4.65 488 416 A 76 TYR HD% A 68 ASP H 1.0 0.0 4.23 489 417 A 68 ASP HBy A 76 TYR HD% 1.0 0.0 4.62 490 418 A 64 LYS H A 63 THR H 1.0 0.0 3.79 491 419 A 56 TYR H A 55 PHE H 1.0 0.0 3.40 492 420 A 51 LYS H A 50 MET H 1.0 0.0 3.91 493 421 A 36 LYS H A 37 LEU H 1.0 0.0 3.56 494 422 A 36 LYS H A 35 LEU H 1.0 0.0 3.95 495 423 A 35 LEU H A 34 LEU H 1.0 0.0 3.69 496 424 A 34 LEU H A 33 LEU H 1.0 0.0 3.90 497 425 A 107 LEU H A 108 VAL H 1.0 0.0 4.64 498 426 B 306 PHE HE% A 93 VAL H 1.0 0.0 5.00 499 427 A 109 VAL H A 108 VAL H 1.0 0.0 4.58 500 428 A 107 LEU H A 106 ASN H 1.0 0.0 3.37 501 429 A 103 ILE H A 104 TYR H 1.0 0.0 3.59 502 430 A 105 ARG H A 104 TYR H 1.0 0.0 3.33 503 431 A 104 TYR H A 104 TYR HD% 1.0 0.0 3.53 504 432 A 103 ILE H A 102 MET H 1.0 0.0 3.51 505 433 A 100 TYR H A 101 THR H 1.0 0.0 3.67 506 434 A 86 PHE H A 87 GLY H 1.0 0.0 3.41 507 435 A 85 LEU H A 86 PHE H 1.0 0.0 3.64 508 436 A 76 TYR HD% A 77 CYS H 1.0 0.0 4.60 509 437 A 39 LYS H A 40 SER H 1.0 0.0 3.54 510 438 A 39 LYS H A 38 LEU H 1.0 0.0 3.62 511 439 A 54 LEU H A 53 VAL H 1.0 0.0 3.40 512 440 A 70 LYS H A 69 GLU H 1.0 0.0 3.50 513 441 A 53 VAL H A 52 GLU H 1.0 0.0 3.81 514 442 A 51 LYS H A 52 GLU H 1.0 0.0 3.79 515 443 A 54 LEU H A 52 GLU H 1.0 0.0 5.00 516 444 A 57 LEU H A 58 GLY H 1.0 0.0 3.67 517 445 A 58 GLY H A 56 TYR H 1.0 0.0 4.60 518 446 A 58 GLY H A 59 GLN H 1.0 0.0 3.79 519 447 A 59 GLN H A 60 TYR H 1.0 0.0 3.71 520 448 A 61 ILE H A 60 TYR H 1.0 0.0 3.87 521 449 A 67 TYR HD% A 68 ASP H 1.0 0.0 3.55 522 450 A 106 ASN HD2y A 106 ASN H 1.0 0.0 3.92 523 451 A 105 ARG H A 106 ASN H 1.0 0.0 3.40 524 452 A 76 TYR H A 76 TYR HD% 1.0 0.0 3.53 525 453 A 85 LEU H A 84 ASP H 1.0 0.0 3.29 526 454 A 84 ASP H A 83 GLY H 1.0 0.0 3.57 527 455 A 63 THR H A 65 ARG H 1.0 0.0 4.57 528 456 A 44 GLN H A 45 LYS H 1.0 0.0 3.76 529 457 A 45 LYS H A 47 THR H 1.0 0.0 5.00 530 458 A 66 LEU H A 67 TYR H 1.0 0.0 3.59 531 459 A 68 ASP H A 67 TYR H 1.0 0.0 4.72 532 460 A 41 VAL H A 42 GLY H 1.0 0.0 3.32 533 461 A 40 SER H A 41 VAL H 1.0 0.0 3.55 534 462 A 73 HIS H A 74 ILE H 1.0 0.0 3.49 535 463 A 73 HIS H A 72 GLN H 1.0 0.0 3.29 536 464 A 11 ASP HA A 12 GLY H 1.0 0.0 3.52 537 465 A 14 VAL H A 13 ALA HA 1.0 0.0 3.06 538 466 A 14 VAL H A 13 ALA HB% 1.0 0.0 3.77 539 467 A 21 ALA H A 20 PRO HBy 1.0 0.0 4.01 540 468 A 21 ALA H A 20 PRO HBx 1.0 0.0 4.01 541 469 A 21 ALA H A 21 ALA HB% 1.0 0.0 3.27 542 470 A 21 ALA H A 20 PRO HA 1.0 0.0 3.00 543 471 A 21 ALA HB% A 22 SER H 1.0 0.0 4.04 544 472 A 22 SER H A 21 ALA HA 1.0 0.0 3.57 545 473 A 27 LEU H A 28 VAL H 1.0 0.0 4.72 546 474 A 27 LEU HA A 28 VAL H 1.0 0.0 3.31 547 475 A 28 VAL HA A 29 ARG H 1.0 0.0 3.13 548 476 A 28 VAL HB A 29 ARG H 1.0 0.0 3.64 549 477 A 34 LEU H A 33 LEU HBy 1.0 0.0 3.94 550 478 A 34 LEU H A 33 LEU HBx 1.0 0.0 3.94 551 479 A 32 PRO HA A 35 LEU H 1.0 0.0 3.96 552 480 A 36 LYS H A 35 LEU HBx 1.0 0.0 4.48 553 481 A 36 LYS H A 36 LYS HBx 1.0 0.0 3.67 554 482 A 37 LEU H A 36 LYS HBy 1.0 0.0 4.31 555 483 A 37 LEU H A 36 LYS HBx 1.0 0.0 4.31 556 484 A 40 SER H A 39 LYS HB2 1.0 0.0 3.85 557 484 A 39 LYS HB3 A 40 SER H 1.0 0.0 3.85 558 485 A 41 VAL HA A 42 GLY H 1.0 0.0 3.42 559 486 A 41 VAL HB A 42 GLY H 1.0 0.0 4.37 560 487 A 44 GLN HBx A 45 LYS H 1.0 0.0 4.81 561 488 A 45 LYS H A 44 GLN HGx 1.0 0.0 5.00 562 489 A 44 GLN HBy A 45 LYS H 1.0 0.0 3.84 563 490 A 47 THR HA A 48 TYR H 1.0 0.0 3.40 564 491 A 47 THR HB A 48 TYR H 1.0 0.0 3.34 565 492 A 57 LEU H A 56 TYR HBx 1.0 0.0 4.28 566 493 A 57 LEU H A 56 TYR H 1.0 0.0 3.69 567 494 A 57 LEU HBy A 58 GLY H 1.0 0.0 4.03 568 495 A 64 LYS H A 63 THR HG2% 1.0 0.0 3.10 569 496 A 66 LEU H A 65 ARG HB2 1.0 0.0 4.28 570 496 A 66 LEU H A 65 ARG HB3 1.0 0.0 4.28 571 497 A 71 GLN HA A 73 HIS H 1.0 0.0 4.53 572 498 A 75 VAL HA A 76 TYR H 1.0 0.0 3.41 573 499 A 81 LEU HA A 84 ASP H 1.0 0.0 3.85 574 500 A 85 LEU H A 84 ASP HBy 1.0 0.0 3.87 575 501 A 85 LEU H A 84 ASP HBx 1.0 0.0 3.87 576 502 A 85 LEU HBx A 86 PHE H 1.0 0.0 3.51 577 503 A 90 SER HA A 91 PHE H 1.0 0.0 3.29 578 504 A 91 PHE H A 90 SER HBy 1.0 0.0 3.89 579 505 A 91 PHE H A 90 SER HBx 1.0 0.0 3.89 580 506 A 91 PHE HA A 92 SER H 1.0 0.0 3.23 581 507 A 92 SER H A 91 PHE HBy 1.0 0.0 4.39 582 508 A 95 GLU H A 94 LYS HBy 1.0 0.0 4.48 583 509 A 95 GLU H A 94 LYS HBx 1.0 0.0 4.48 584 510 A 96 HIS H A 95 GLU HBx 1.0 0.0 4.07 585 511 A 96 HIS H A 95 GLU HBy 1.0 0.0 4.07 586 512 A 99 ILE H A 98 LYS HB2 1.0 0.0 3.79 587 512 A 98 LYS HB3 A 99 ILE H 1.0 0.0 3.79 588 513 A 99 ILE H A 97 ARG HA 1.0 0.0 4.44 589 514 A 99 ILE HB A 100 TYR H 1.0 0.0 3.54 590 515 A 101 THR HB A 102 MET H 1.0 0.0 3.80 591 516 A 106 ASN HBx A 107 LEU H 1.0 0.0 4.45 592 517 A 106 ASN HBy A 107 LEU H 1.0 0.0 4.13 593 518 A 107 LEU HBx A 108 VAL H 1.0 0.0 4.11 594 519 A 109 VAL H A 108 VAL HA 1.0 0.0 2.74 595 520 A 18 GLN HA A 19 ILE H 1.0 0.0 2.77 596 521 A 62 MET HA A 65 ARG H 1.0 0.0 3.53 597 522 A 99 ILE H A 100 TYR HD% 1.0 0.0 5.00 598 523 A 94 LYS H A 95 GLU H 1.0 0.0 3.47 599 524 A 83 GLY H A 82 LEU H 1.0 0.0 4.88 600 525 A 77 CYS H A 78 SER H 1.0 0.0 3.37 601 526 A 76 TYR HD% A 78 SER H 1.0 0.0 5.00 602 527 A 78 SER H A 78 SER HB2 1.0 0.0 3.19 603 527 A 78 SER H A 78 SER HB3 1.0 0.0 3.19 604 528 A 99 ILE H A 100 TYR H 1.0 0.0 3.49 605 529 A 40 SER H A 42 GLY H 1.0 0.0 4.17 606 530 A 42 GLY H A 43 ALA H 1.0 0.0 3.04 607 531 A 58 GLY H B 310 TRP HD1 1.0 0.0 3.95 608 532 B 310 TRP HZ2 A 58 GLY H 1.0 0.0 4.49 609 533 A 85 LEU H A 83 GLY H 1.0 0.0 4.80 610 534 A 87 GLY H A 84 ASP H 1.0 0.0 5.00 611 535 A 85 LEU H A 87 GLY H 1.0 0.0 4.19 612 536 A 88 VAL H A 87 GLY H 1.0 0.0 3.40 613 537 A 88 VAL H A 86 PHE H 1.0 0.0 4.12 614 538 A 47 THR H A 48 TYR H 1.0 0.0 4.60 615 539 A 91 PHE H A 90 SER H 1.0 0.0 4.49 616 540 A 95 GLU H A 92 SER H 1.0 0.0 5.00 617 541 A 94 LYS H A 93 VAL H 1.0 0.0 4.27 618 542 A 39 LYS H A 41 VAL H 1.0 0.0 4.52 619 543 A 44 GLN H A 43 ALA H 1.0 0.0 4.92 620 544 A 106 ASN HD2x A 106 ASN H 1.0 0.0 4.52 621 545 A 104 TYR HD% A 106 ASN H 1.0 0.0 4.91 622 546 A 80 ASP H A 81 LEU H 1.0 0.0 4.86 623 547 A 37 LEU H A 38 LEU H 1.0 0.0 3.85 624 548 A 62 MET H A 63 THR H 1.0 0.0 3.74 625 549 A 62 MET H A 61 ILE H 1.0 0.0 3.88 626 550 A 8 VAL HB A 8 VAL H 1.0 0.0 3.98 627 551 A 7 SER HA A 8 VAL H 1.0 0.0 3.16 628 552 A 8 VAL H A 7 SER HB2 1.0 0.0 3.83 629 552 A 7 SER HB3 A 8 VAL H 1.0 0.0 3.83 630 553 A 101 THR H A 98 LYS H 1.0 0.0 5.00 631 554 A 100 TYR HD% A 101 THR H 1.0 0.0 4.27 632 555 A 70 LYS H A 71 GLN H 1.0 0.0 3.04 633 556 A 35 LEU HA A 38 LEU H 1.0 0.0 4.53 634 557 A 23 GLU HA A 24 GLN H 1.0 0.0 3.22 635 558 A 39 LYS HA A 42 GLY H 1.0 0.0 4.12 636 559 A 42 GLY H A 40 SER HB2 1.0 0.0 5.00 637 559 A 42 GLY H A 40 SER HB3 1.0 0.0 5.00 638 560 A 43 ALA HA A 42 GLY H 1.0 0.0 5.00 639 561 A 42 GLY H A 39 LYS HB2 1.0 0.0 5.00 640 561 A 39 LYS HB3 A 42 GLY H 1.0 0.0 5.00 641 562 A 43 ALA HB% A 42 GLY H 1.0 0.0 4.18 642 563 A 58 GLY H A 55 PHE HA 1.0 0.0 4.66 643 564 A 58 GLY H A 59 GLN HB2 1.0 0.0 5.00 644 564 A 59 GLN HB3 A 58 GLY H 1.0 0.0 5.00 645 565 A 61 ILE HD1% A 58 GLY H 1.0 0.0 4.76 646 566 A 83 GLY H A 84 ASP HBy 1.0 0.0 5.00 647 567 A 83 GLY H A 80 ASP HB2 1.0 0.0 4.04 648 567 A 83 GLY H A 80 ASP HB3 1.0 0.0 4.04 649 568 A 83 GLY H A 84 ASP HBx 1.0 0.0 5.00 650 569 A 83 GLY H A 82 LEU HG 1.0 0.0 4.88 651 570 A 83 GLY H A 82 LEU HDx% 1.0 0.0 4.62 652 571 A 83 GLY H A 82 LEU HDy% 1.0 0.0 4.62 653 572 A 73 HIS H A 73 HIS HBy 1.0 0.0 3.83 654 573 A 73 HIS H A 73 HIS HBx 1.0 0.0 3.83 655 574 A 74 ILE HB A 73 HIS H 1.0 0.0 4.85 656 575 A 74 ILE HD1% A 73 HIS H 1.0 0.0 5.00 657 576 A 87 GLY H A 84 ASP HA 1.0 0.0 3.77 658 577 A 86 PHE HBy A 87 GLY H 1.0 0.0 3.46 659 578 A 86 PHE HBx A 87 GLY H 1.0 0.0 4.36 660 579 A 88 VAL HGy% A 87 GLY H 1.0 0.0 3.97 661 580 A 85 LEU HBy A 87 GLY H 1.0 0.0 5.00 662 581 A 85 LEU HBx A 87 GLY H 1.0 0.0 4.98 663 582 A 88 VAL H A 84 ASP H 1.0 0.0 4.85 664 583 A 86 PHE HBx A 88 VAL H 1.0 0.0 3.83 665 584 A 88 VAL HB A 88 VAL H 1.0 0.0 3.86 666 585 A 88 VAL HGx% A 88 VAL H 1.0 0.0 3.75 667 586 A 88 VAL HGy% A 88 VAL H 1.0 0.0 2.92 668 587 A 47 THR H A 45 LYS HA 1.0 0.0 4.19 669 588 A 47 THR HB A 47 THR H 1.0 0.0 3.86 670 589 A 47 THR H A 45 LYS HE2 1.0 0.0 4.83 671 589 A 45 LYS HE3 A 47 THR H 1.0 0.0 4.83 672 590 A 47 THR H A 45 LYS HBy 1.0 0.0 4.12 673 591 A 47 THR H A 45 LYS HBx 1.0 0.0 4.12 674 592 A 47 THR HG2% A 47 THR H 1.0 0.0 3.61 675 593 A 47 THR H A 27 LEU HDx% 1.0 0.0 5.00 676 594 A 47 THR H A 27 LEU HDy% 1.0 0.0 5.00 677 595 A 88 VAL HA A 90 SER H 1.0 0.0 3.98 678 596 A 91 PHE HA A 90 SER H 1.0 0.0 4.94 679 597 A 76 TYR HA A 90 SER H 1.0 0.0 5.00 680 598 A 89 PRO HDy A 90 SER H 1.0 0.0 3.38 681 599 A 89 PRO HDx A 90 SER H 1.0 0.0 4.19 682 600 A 88 VAL HB A 90 SER H 1.0 0.0 3.38 683 601 A 88 VAL HGy% A 90 SER H 1.0 0.0 3.12 684 602 A 49 THR HG2% A 49 THR H 1.0 0.0 3.47 685 603 A 49 THR H A 48 TYR HBx 1.0 0.0 4.03 686 604 A 49 THR H A 48 TYR HBy 1.0 0.0 4.03 687 605 A 49 THR H A 49 THR HB 1.0 0.0 4.18 688 606 A 52 GLU H A 49 THR H 1.0 0.0 4.38 689 607 A 53 VAL H A 49 THR H 1.0 0.0 4.68 690 608 A 48 TYR H A 49 THR H 1.0 0.0 4.39 691 609 A 93 VAL H A 92 SER H 1.0 0.0 4.62 692 610 A 93 VAL HA A 92 SER H 1.0 0.0 5.00 693 611 A 92 SER H A 91 PHE HBx 1.0 0.0 4.39 694 612 A 92 SER H A 95 GLU HGy 1.0 0.0 5.00 695 613 A 92 SER H A 95 GLU HGx 1.0 0.0 5.00 696 614 A 74 ILE HD1% A 92 SER H 1.0 0.0 5.00 697 615 A 102 MET HE% A 92 SER H 1.0 0.0 4.60 698 616 A 62 MET HA A 67 TYR H 1.0 0.0 5.00 699 617 A 75 VAL HA A 67 TYR H 1.0 0.0 5.00 700 618 A 65 ARG HA A 67 TYR H 1.0 0.0 4.02 701 619 A 67 TYR H A 67 TYR HBy 1.0 0.0 3.72 702 620 A 67 TYR H A 67 TYR HBx 1.0 0.0 3.72 703 621 A 67 TYR H A 65 ARG HB2 1.0 0.0 4.07 704 621 A 65 ARG HB3 A 67 TYR H 1.0 0.0 4.07 705 622 A 66 LEU HBy A 67 TYR H 1.0 0.0 3.83 706 623 A 61 ILE HG2% A 67 TYR H 1.0 0.0 3.74 707 624 A 41 VAL H A 41 VAL HGx% 1.0 0.0 3.88 708 625 A 41 VAL H A 41 VAL HGy% 1.0 0.0 3.88 709 626 A 41 VAL HB A 41 VAL H 1.0 0.0 3.81 710 627 A 38 LEU HA A 41 VAL H 1.0 0.0 4.73 711 628 A 39 LYS HA A 41 VAL H 1.0 0.0 4.97 712 629 A 41 VAL H A 40 SER HB2 1.0 0.0 4.11 713 629 A 41 VAL H A 40 SER HB3 1.0 0.0 4.11 714 630 A 43 ALA HB% A 41 VAL H 1.0 0.0 4.40 715 631 A 94 LYS H A 94 LYS HGy 1.0 0.0 4.96 716 632 A 94 LYS H A 94 LYS HDx 1.0 0.0 5.00 717 633 A 94 LYS H A 93 VAL HB 1.0 0.0 4.52 718 634 A 94 LYS H A 94 LYS HBy 1.0 0.0 4.13 719 635 A 62 MET HA A 66 LEU H 1.0 0.0 4.75 720 636 A 61 ILE HA A 66 LEU H 1.0 0.0 4.19 721 637 A 94 LYS H A 73 HIS HA 1.0 0.0 5.00 722 638 A 94 LYS H A 94 LYS HBx 1.0 0.0 4.13 723 639 A 66 LEU HBy A 66 LEU H 1.0 0.0 3.60 724 640 A 10 THR HG2% A 10 THR H 1.0 0.0 3.96 725 641 A 101 THR HG2% A 101 THR H 1.0 0.0 3.22 726 642 A 101 THR H A 98 LYS HB2 1.0 0.0 5.00 727 642 A 98 LYS HB3 A 101 THR H 1.0 0.0 5.00 728 643 A 50 MET HE% A 101 THR H 1.0 0.0 5.00 729 644 A 101 THR H A 98 LYS HD2 1.0 0.0 5.00 730 644 A 98 LYS HD3 A 101 THR H 1.0 0.0 5.00 731 645 A 99 ILE HB A 101 THR H 1.0 0.0 5.00 732 646 A 101 THR H A 100 TYR HB2 1.0 0.0 3.52 733 646 A 100 TYR HB3 A 101 THR H 1.0 0.0 3.52 734 647 A 99 ILE HA A 101 THR H 1.0 0.0 5.00 735 648 A 75 VAL HB A 91 PHE H 1.0 0.0 4.12 736 649 A 91 PHE H A 75 VAL HGy% 1.0 0.0 5.00 737 650 A 74 ILE HG2% A 91 PHE H 1.0 0.0 4.50 738 651 A 98 LYS HA A 101 THR H 1.0 0.0 3.88 739 652 A 101 THR HB A 101 THR H 1.0 0.0 3.65 740 653 A 91 PHE H A 76 TYR HD% 1.0 0.0 5.00 741 654 A 91 PHE H A 75 VAL H 1.0 0.0 3.86 742 655 A 91 PHE H A 92 SER H 1.0 0.0 4.37 743 656 A 104 TYR HD% A 101 THR H 1.0 0.0 5.00 744 657 A 76 TYR HA A 91 PHE H 1.0 0.0 4.24 745 658 A 91 PHE H A 75 VAL HGx% 1.0 0.0 5.00 746 659 A 85 LEU HA A 106 ASN HD2x 1.0 0.0 5.00 747 660 A 106 ASN HD2x A 105 ARG HB2 1.0 0.0 4.94 748 660 A 105 ARG HB3 A 106 ASN HD2x 1.0 0.0 4.94 749 661 A 106 ASN HD2x A 105 ARG HG2 1.0 0.0 4.61 750 661 A 105 ARG HG3 A 106 ASN HD2x 1.0 0.0 4.61 751 662 A 106 ASN HD2x A 85 LEU HBx 1.0 0.0 4.92 752 663 A 85 LEU HG A 106 ASN HD2x 1.0 0.0 5.00 753 664 A 106 ASN HD2x A 85 LEU HBy 1.0 0.0 5.00 754 665 A 106 ASN HD2x A 34 LEU HDx% 1.0 0.0 4.47 755 666 A 106 ASN HD2y A 34 LEU HDx% 1.0 0.0 4.39 756 667 A 106 ASN HD2y A 105 ARG HB2 1.0 0.0 4.64 757 667 A 105 ARG HB3 A 106 ASN HD2y 1.0 0.0 4.64 758 668 A 106 ASN HD2y A 105 ARG HG2 1.0 0.0 4.09 759 668 A 105 ARG HG3 A 106 ASN HD2y 1.0 0.0 4.09 760 669 A 106 ASN HD2y A 85 LEU HBx 1.0 0.0 5.00 761 670 A 85 LEU HG A 106 ASN HD2y 1.0 0.0 5.00 762 671 A 63 THR H A 63 THR HB 1.0 0.0 3.63 763 672 A 63 THR H A 62 MET HB2 1.0 0.0 3.30 764 672 A 62 MET HB3 A 63 THR H 1.0 0.0 3.30 765 673 A 63 THR H A 62 MET HGy 1.0 0.0 5.00 766 674 A 63 THR H A 62 MET HGx 1.0 0.0 5.00 767 675 A 61 ILE HB A 63 THR H 1.0 0.0 4.95 768 676 A 63 THR HG2% A 63 THR H 1.0 0.0 3.38 769 677 A 64 LYS HGy A 63 THR H 1.0 0.0 4.93 770 678 A 70 LYS H A 69 GLU HG2 1.0 0.0 3.63 771 678 A 70 LYS H A 69 GLU HG3 1.0 0.0 3.63 772 679 A 59 GLN HA A 59 GLN HE2y 1.0 0.0 4.77 773 680 A 59 GLN HA A 59 GLN HE2x 1.0 0.0 4.77 774 681 A 56 TYR HA A 59 GLN HE2y 1.0 0.0 5.00 775 682 A 62 MET H A 64 LYS H 1.0 0.0 4.90 776 683 A 62 MET H B 306 PHE HE% 1.0 0.0 4.19 777 684 B 306 PHE HD% A 62 MET H 1.0 0.0 4.96 778 685 A 70 LYS H A 71 GLN HA 1.0 0.0 4.97 779 686 A 70 LYS H A 68 ASP HBy 1.0 0.0 5.00 780 687 A 70 LYS H A 70 LYS HE2 1.0 0.0 4.74 781 687 A 70 LYS H A 70 LYS HE3 1.0 0.0 4.74 782 688 A 70 LYS H A 70 LYS HGy 1.0 0.0 3.55 783 689 A 70 LYS H A 70 LYS HGx 1.0 0.0 3.55 784 690 A 70 LYS H A 70 LYS HD2 1.0 0.0 3.92 785 690 A 70 LYS H A 70 LYS HD3 1.0 0.0 3.92 786 691 A 62 MET H A 62 MET HB2 1.0 0.0 3.22 787 691 A 62 MET HB3 A 62 MET H 1.0 0.0 3.22 788 692 A 62 MET H A 58 GLY HAx 1.0 0.0 5.00 789 693 A 61 ILE HD1% A 62 MET H 1.0 0.0 4.70 790 694 A 62 MET H A 61 ILE HG2% 1.0 0.0 4.14 791 695 A 62 MET H A 61 ILE HG12 1.0 0.0 4.55 792 695 A 62 MET H A 61 ILE HG13 1.0 0.0 4.55 793 696 A 76 TYR HA A 78 SER H 1.0 0.0 4.78 794 697 A 62 MET H A 58 GLY HAy 1.0 0.0 5.00 795 698 A 62 MET H A 61 ILE HB 1.0 0.0 3.88 796 699 A 62 MET H A 63 THR HG2% 1.0 0.0 4.62 797 700 A 105 ARG H A 104 TYR HD% 1.0 0.0 3.96 798 701 A 78 SER H A 80 ASP HB2 1.0 0.0 5.00 799 701 A 78 SER H A 80 ASP HB3 1.0 0.0 5.00 800 702 A 105 ARG H A 103 ILE HG2% 1.0 0.0 4.92 801 703 A 105 ARG H A 105 ARG HG2 1.0 0.0 4.10 802 703 A 105 ARG H A 105 ARG HG3 1.0 0.0 4.10 803 704 A 105 ARG H A 101 THR HG2% 1.0 0.0 5.00 804 705 A 105 ARG H A 107 LEU HDy% 1.0 0.0 4.98 805 706 A 105 ARG H A 106 ASN HBy 1.0 0.0 5.00 806 707 A 105 ARG H A 102 MET HA 1.0 0.0 4.78 807 708 A 104 TYR HE% A 105 ARG H 1.0 0.0 4.67 808 709 A 105 ARG H A 107 LEU H 1.0 0.0 4.35 809 710 A 105 ARG H A 102 MET H 1.0 0.0 5.00 810 711 A 105 ARG H A 106 ASN HD2y 1.0 0.0 5.00 811 712 A 77 CYS H A 77 CYS HBx 1.0 0.0 4.13 812 713 A 77 CYS H A 76 TYR HBx 1.0 0.0 4.01 813 714 A 77 CYS H A 76 TYR HBy 1.0 0.0 4.01 814 715 A 77 CYS H A 77 CYS HBy 1.0 0.0 4.13 815 716 A 106 ASN HBx A 106 ASN H 1.0 0.0 3.66 816 717 A 106 ASN HBy A 106 ASN H 1.0 0.0 3.84 817 718 A 40 SER H A 40 SER HB2 1.0 0.0 3.32 818 718 A 40 SER H A 40 SER HB3 1.0 0.0 3.32 819 719 A 65 ARG H A 65 ARG HB2 1.0 0.0 3.46 820 719 A 65 ARG HB3 A 65 ARG H 1.0 0.0 3.46 821 720 A 63 THR HG2% A 65 ARG H 1.0 0.0 4.11 822 721 A 106 ASN H A 105 ARG HB2 1.0 0.0 3.38 823 721 A 105 ARG HB3 A 106 ASN H 1.0 0.0 3.38 824 722 A 103 ILE HG2% A 106 ASN H 1.0 0.0 4.54 825 723 A 107 LEU HDy% A 28 VAL H 1.0 0.0 5.00 826 724 A 47 THR HG2% A 28 VAL H 1.0 0.0 4.97 827 725 A 27 LEU HG A 28 VAL H 1.0 0.0 5.00 828 726 A 28 VAL HB A 28 VAL H 1.0 0.0 4.17 829 727 A 47 THR HB A 28 VAL H 1.0 0.0 4.92 830 728 A 49 THR HA A 28 VAL H 1.0 0.0 5.00 831 729 A 44 GLN H A 44 GLN HGy 1.0 0.0 4.13 832 730 A 44 GLN H A 44 GLN HGx 1.0 0.0 4.13 833 731 A 44 GLN HBy A 44 GLN H 1.0 0.0 4.02 834 732 A 54 LEU H A 57 LEU HBy 1.0 0.0 5.00 835 733 A 54 LEU H A 54 LEU HG 1.0 0.0 3.25 836 734 A 106 ASN H A 105 ARG HG2 1.0 0.0 4.33 837 734 A 105 ARG HG3 A 106 ASN H 1.0 0.0 4.33 838 735 A 107 LEU HBx A 106 ASN H 1.0 0.0 4.74 839 736 A 54 LEU H A 53 VAL HB 1.0 0.0 3.96 840 737 A 103 ILE HA A 106 ASN H 1.0 0.0 4.93 841 738 A 36 LYS HA A 40 SER H 1.0 0.0 4.64 842 739 A 37 LEU HA A 40 SER H 1.0 0.0 4.85 843 740 A 38 LEU HA A 40 SER H 1.0 0.0 4.71 844 741 A 100 TYR H A 100 TYR HB2 1.0 0.0 3.15 845 741 A 100 TYR H A 100 TYR HB3 1.0 0.0 3.15 846 742 A 100 TYR H A 97 ARG HA 1.0 0.0 3.83 847 743 A 65 ARG H A 67 TYR H 1.0 0.0 4.86 848 744 A 61 ILE HA A 65 ARG H 1.0 0.0 4.68 849 745 A 65 ARG H A 62 MET HB2 1.0 0.0 4.68 850 745 A 62 MET HB3 A 65 ARG H 1.0 0.0 4.68 851 746 A 64 LYS HGx A 65 ARG H 1.0 0.0 5.00 852 747 A 61 ILE HG2% A 65 ARG H 1.0 0.0 4.78 853 748 A 100 TYR HE% A 100 TYR H 1.0 0.0 4.27 854 749 A 39 LYS H A 43 ALA H 1.0 0.0 5.00 855 750 A 104 TYR H A 106 ASN H 1.0 0.0 4.68 856 751 A 50 MET HE% A 100 TYR H 1.0 0.0 4.45 857 752 A 54 LEU H A 50 MET HA 1.0 0.0 4.76 858 753 A 39 LYS H A 39 LYS HB2 1.0 0.0 3.27 859 753 A 39 LYS HB3 A 39 LYS H 1.0 0.0 3.27 860 754 A 35 LEU HA A 39 LYS H 1.0 0.0 4.21 861 755 A 36 LYS HA A 39 LYS H 1.0 0.0 4.67 862 756 A 39 LYS H A 40 SER HB2 1.0 0.0 4.57 863 756 A 39 LYS H A 40 SER HB3 1.0 0.0 4.57 864 757 A 48 TYR H A 48 TYR HBx 1.0 0.0 4.05 865 758 A 101 THR HG2% A 100 TYR H 1.0 0.0 5.00 866 759 A 102 MET HE% A 100 TYR H 1.0 0.0 5.00 867 760 A 99 ILE HD1% A 100 TYR H 1.0 0.0 4.51 868 761 A 103 ILE HD1% A 100 TYR H 1.0 0.0 4.52 869 762 A 99 ILE HG2% A 100 TYR H 1.0 0.0 3.84 870 763 A 43 ALA HB% A 40 SER H 1.0 0.0 4.93 871 764 A 37 LEU HDx% A 40 SER H 1.0 0.0 5.00 872 765 A 54 LEU H A 53 VAL HGx% 1.0 0.0 4.00 873 766 A 54 LEU H A 53 VAL HGy% 1.0 0.0 4.00 874 767 A 54 LEU H A 54 LEU HDx% 1.0 0.0 3.85 875 768 A 54 LEU H A 54 LEU HDy% 1.0 0.0 3.85 876 769 A 43 ALA HB% A 39 LYS H 1.0 0.0 4.11 877 770 A 47 THR HG2% A 48 TYR H 1.0 0.0 3.36 878 771 A 28 VAL H A 48 TYR H 1.0 0.0 3.95 879 772 A 37 LEU H A 39 LYS H 1.0 0.0 4.47 880 773 A 86 PHE H A 84 ASP H 1.0 0.0 4.58 881 774 A 86 PHE H A 84 ASP HA 1.0 0.0 5.00 882 775 A 39 LYS H A 40 SER HA 1.0 0.0 5.00 883 776 A 86 PHE HBy A 86 PHE H 1.0 0.0 3.63 884 777 A 48 TYR H A 48 TYR HBy 1.0 0.0 4.05 885 778 A 85 LEU HBy A 86 PHE H 1.0 0.0 3.97 886 779 A 86 PHE HBx A 86 PHE H 1.0 0.0 3.69 887 780 A 80 ASP H A 79 ASN HA 1.0 0.0 3.42 888 781 A 43 ALA HA A 45 LYS H 1.0 0.0 4.00 889 782 A 45 LYS H A 45 LYS HE2 1.0 0.0 5.00 890 782 A 45 LYS HE3 A 45 LYS H 1.0 0.0 5.00 891 783 A 80 ASP H A 80 ASP HB2 1.0 0.0 3.39 892 783 A 80 ASP H A 80 ASP HB3 1.0 0.0 3.39 893 784 A 80 ASP H A 79 ASN HBy 1.0 0.0 4.64 894 785 A 45 LYS H A 45 LYS HBx 1.0 0.0 3.96 895 786 A 45 LYS H A 45 LYS HBy 1.0 0.0 3.96 896 787 A 43 ALA HB% A 45 LYS H 1.0 0.0 3.77 897 788 A 51 LYS H A 51 LYS HGx 1.0 0.0 4.65 898 789 A 49 THR HG2% A 51 LYS H 1.0 0.0 4.54 899 790 A 51 LYS H A 49 THR HB 1.0 0.0 3.35 900 791 A 27 LEU HA A 48 TYR H 1.0 0.0 4.94 901 792 A 49 THR HA A 51 LYS H 1.0 0.0 4.58 902 793 A 36 LYS H A 36 LYS HBy 1.0 0.0 3.67 903 794 A 36 LYS H A 36 LYS HGy 1.0 0.0 4.72 904 795 A 36 LYS H A 36 LYS HGx 1.0 0.0 4.72 905 796 A 107 LEU HDx% A 107 LEU H 1.0 0.0 4.42 906 797 A 107 LEU HDy% A 107 LEU H 1.0 0.0 3.52 907 798 A 64 LYS HGx A 64 LYS H 1.0 0.0 3.91 908 799 A 64 LYS HGy A 64 LYS H 1.0 0.0 3.40 909 800 A 107 LEU HBx A 107 LEU H 1.0 0.0 3.38 910 801 A 107 LEU HG A 107 LEU H 1.0 0.0 3.33 911 802 A 45 LYS H A 44 GLN HGy 1.0 0.0 5.00 912 803 A 80 ASP H A 79 ASN HBx 1.0 0.0 4.64 913 804 A 104 TYR HA A 107 LEU H 1.0 0.0 3.86 914 805 A 105 ARG HA A 107 LEU H 1.0 0.0 4.56 915 806 A 80 ASP H A 78 SER HB2 1.0 0.0 4.91 916 806 A 78 SER HB3 A 80 ASP H 1.0 0.0 4.91 917 807 A 64 LYS H A 63 THR HB 1.0 0.0 4.01 918 808 A 80 ASP H A 78 SER HA 1.0 0.0 4.15 919 809 A 81 LEU HA A 80 ASP H 1.0 0.0 5.00 920 810 A 106 ASN HD2y A 107 LEU H 1.0 0.0 5.00 921 811 A 36 LYS H A 33 LEU HA 1.0 0.0 4.02 922 812 A 32 PRO HA A 36 LYS H 1.0 0.0 4.72 923 813 A 65 ARG HA A 64 LYS H 1.0 0.0 4.40 924 814 A 64 LYS H A 64 LYS HE2 1.0 0.0 5.00 925 814 A 64 LYS HE3 A 64 LYS H 1.0 0.0 5.00 926 815 A 36 LYS H A 36 LYS HD2 1.0 0.0 4.61 927 815 A 36 LYS H A 36 LYS HD3 1.0 0.0 4.61 928 816 A 82 LEU H A 80 ASP HB2 1.0 0.0 4.18 929 816 A 82 LEU H A 80 ASP HB3 1.0 0.0 4.18 930 817 A 82 LEU H A 82 LEU HG 1.0 0.0 4.33 931 818 A 82 LEU H A 82 LEU HDy% 1.0 0.0 4.42 932 819 A 82 LEU H A 82 LEU HDx% 1.0 0.0 4.42 933 820 A 71 GLN HA A 72 GLN H 1.0 0.0 2.76 934 821 A 72 GLN H A 72 GLN HGy 1.0 0.0 3.99 935 822 A 81 LEU HA A 85 LEU H 1.0 0.0 4.31 936 823 A 59 GLN H A 59 GLN HB2 1.0 0.0 3.23 937 823 A 59 GLN HB3 A 59 GLN H 1.0 0.0 3.23 938 824 A 59 GLN H A 59 GLN HGx 1.0 0.0 3.74 939 825 A 59 GLN H A 59 GLN HGy 1.0 0.0 3.74 940 826 A 56 TYR HA A 59 GLN H 1.0 0.0 3.75 941 827 A 85 LEU HBx A 85 LEU H 1.0 0.0 3.83 942 828 A 85 LEU HG A 85 LEU H 1.0 0.0 4.18 943 829 A 85 LEU H A 81 LEU HDy% 1.0 0.0 3.91 944 830 A 85 LEU H A 81 LEU HDx% 1.0 0.0 3.91 945 831 A 85 LEU H A 85 LEU HDy% 1.0 0.0 4.02 946 832 A 63 THR HG2% A 61 ILE H 1.0 0.0 4.16 947 833 A 85 LEU HBy A 85 LEU H 1.0 0.0 3.37 948 834 A 37 LEU HDx% A 61 ILE H 1.0 0.0 5.00 949 835 A 61 ILE H A 61 ILE HG12 1.0 0.0 3.60 950 835 A 61 ILE H A 61 ILE HG13 1.0 0.0 3.60 951 836 A 72 GLN H A 72 GLN HGx 1.0 0.0 3.99 952 837 A 26 THR HG2% A 26 THR H 1.0 0.0 4.12 953 838 A 33 LEU H A 33 LEU HDx% 1.0 0.0 4.03 954 839 A 33 LEU H A 33 LEU HDy% 1.0 0.0 4.03 955 840 A 33 LEU H A 33 LEU HG 1.0 0.0 3.95 956 841 A 33 LEU H A 33 LEU HBx 1.0 0.0 3.92 957 842 A 33 LEU H A 32 PRO HBy 1.0 0.0 4.29 958 843 A 32 PRO HG2 A 33 LEU H 1.0 0.0 4.43 959 844 A 33 LEU H A 32 PRO HBx 1.0 0.0 4.29 960 845 A 33 LEU H A 33 LEU HBy 1.0 0.0 3.92 961 846 B 306 PHE HE% A 61 ILE H 1.0 0.0 5.00 962 847 A 57 LEU HA A 61 ILE H 1.0 0.0 5.00 963 848 A 62 MET HA A 61 ILE H 1.0 0.0 5.00 964 849 A 86 PHE HBy A 85 LEU H 1.0 0.0 5.00 965 850 A 103 ILE HG1x A 104 TYR H 1.0 0.0 4.44 966 851 A 104 TYR H A 104 TYR HBy 1.0 0.0 3.43 967 852 A 101 THR HA A 104 TYR H 1.0 0.0 4.06 968 853 A 103 ILE HG2% A 104 TYR H 1.0 0.0 3.51 969 854 A 59 GLN H A 41 VAL HGy% 1.0 0.0 5.00 970 855 A 59 GLN H A 41 VAL HGx% 1.0 0.0 5.00 971 856 A 98 LYS H A 98 LYS HGx 1.0 0.0 4.44 972 857 A 98 LYS H A 98 LYS HGy 1.0 0.0 4.44 973 858 A 98 LYS H A 98 LYS HB2 1.0 0.0 3.25 974 858 A 98 LYS HB3 A 98 LYS H 1.0 0.0 3.25 975 859 A 41 VAL HB A 59 GLN H 1.0 0.0 5.00 976 860 A 59 GLN H A 56 TYR HBx 1.0 0.0 5.00 977 861 A 98 LYS H A 98 LYS HE2 1.0 0.0 4.95 978 861 A 98 LYS HE3 A 98 LYS H 1.0 0.0 4.95 979 862 A 34 LEU HDx% A 34 LEU H 1.0 0.0 3.14 980 863 A 56 TYR HD% A 56 TYR H 1.0 0.0 3.57 981 864 A 56 TYR HE% A 56 TYR H 1.0 0.0 4.56 982 865 A 35 LEU H A 35 LEU HBy 1.0 0.0 4.00 983 866 A 56 TYR H A 55 PHE HBy 1.0 0.0 4.44 984 867 A 56 TYR H A 55 PHE HBx 1.0 0.0 4.44 985 868 A 56 TYR H A 56 TYR HBy 1.0 0.0 3.96 986 869 A 56 TYR H A 56 TYR HBx 1.0 0.0 3.86 987 870 A 53 VAL HA A 56 TYR H 1.0 0.0 4.34 988 871 A 53 VAL H A 53 VAL HB 1.0 0.0 3.69 989 872 A 99 ILE HA A 103 ILE H 1.0 0.0 4.71 990 873 A 100 TYR HA A 103 ILE H 1.0 0.0 3.90 991 874 A 103 ILE H A 105 ARG HB2 1.0 0.0 5.00 992 874 A 105 ARG HB3 A 103 ILE H 1.0 0.0 5.00 993 875 A 103 ILE HG1x A 103 ILE H 1.0 0.0 3.78 994 876 A 103 ILE HB A 103 ILE H 1.0 0.0 3.61 995 877 A 103 ILE H A 103 ILE HD1% 1.0 0.0 3.74 996 878 A 53 VAL H A 53 VAL HGy% 1.0 0.0 3.90 997 879 A 98 LYS H A 97 ARG HB2 1.0 0.0 3.28 998 879 A 98 LYS H A 97 ARG HB3 1.0 0.0 3.28 999 880 A 98 LYS H A 98 LYS HD2 1.0 0.0 3.56 1000 880 A 98 LYS HD3 A 98 LYS H 1.0 0.0 3.56 1001 881 A 99 ILE HD1% A 98 LYS H 1.0 0.0 4.47 1002 882 A 105 ARG H A 103 ILE H 1.0 0.0 3.94 1003 883 A 103 ILE H A 104 TYR HD% 1.0 0.0 4.93 1004 884 A 32 PRO HG2 A 34 LEU H 1.0 0.0 5.00 1005 885 A 34 LEU H A 33 LEU HG 1.0 0.0 4.42 1006 886 A 34 LEU HG A 34 LEU H 1.0 0.0 4.23 1007 887 A 37 LEU HDy% A 34 LEU H 1.0 0.0 4.98 1008 888 A 99 ILE HG1x A 99 ILE H 1.0 0.0 3.69 1009 889 A 99 ILE H A 99 ILE HG2% 1.0 0.0 3.94 1010 890 A 99 ILE H A 99 ILE HG1y 1.0 0.0 3.55 1011 891 A 14 VAL H A 14 VAL HGx% 1.0 0.0 4.47 1012 892 A 14 VAL H A 14 VAL HGy% 1.0 0.0 4.47 1013 893 A 53 VAL H A 50 MET HA 1.0 0.0 4.19 1014 894 A 34 LEU HDx% A 35 LEU H 1.0 0.0 4.26 1015 895 A 35 LEU H A 35 LEU HDy% 1.0 0.0 4.38 1016 896 A 35 LEU H A 35 LEU HBx 1.0 0.0 4.00 1017 897 A 38 LEU HG A 35 LEU H 1.0 0.0 5.00 1018 898 A 49 THR HG2% A 52 GLU H 1.0 0.0 4.89 1019 899 A 33 LEU HA A 35 LEU H 1.0 0.0 5.00 1020 900 A 52 GLU H A 49 THR HB 1.0 0.0 4.31 1021 901 A 52 GLU H A 51 LYS HGy 1.0 0.0 4.95 1022 902 A 52 GLU H A 51 LYS HGx 1.0 0.0 4.95 1023 903 A 38 LEU HG A 38 LEU H 1.0 0.0 4.53 1024 904 A 38 LEU H A 39 LYS HB2 1.0 0.0 5.00 1025 904 A 39 LYS HB3 A 38 LEU H 1.0 0.0 5.00 1026 905 A 102 MET H A 101 THR H 1.0 0.0 3.89 1027 906 A 93 VAL HA A 95 GLU H 1.0 0.0 4.38 1028 907 A 95 GLU H A 95 GLU HBy 1.0 0.0 4.06 1029 908 A 95 GLU H A 95 GLU HGy 1.0 0.0 3.99 1030 909 A 95 GLU H A 95 GLU HBx 1.0 0.0 4.06 1031 910 A 103 ILE HG1x A 102 MET H 1.0 0.0 4.92 1032 911 A 103 ILE HB A 102 MET H 1.0 0.0 5.00 1033 912 A 99 ILE HA A 102 MET H 1.0 0.0 3.85 1034 913 A 98 LYS HA A 102 MET H 1.0 0.0 4.51 1035 914 A 37 LEU HDx% A 38 LEU H 1.0 0.0 3.82 1036 915 A 38 LEU H A 38 LEU HDy% 1.0 0.0 4.27 1037 916 A 38 LEU H A 38 LEU HDx% 1.0 0.0 4.27 1038 917 A 37 LEU HG A 38 LEU H 1.0 0.0 3.14 1039 918 A 99 ILE HD1% A 95 GLU H 1.0 0.0 4.26 1040 919 A 96 HIS H A 99 ILE HD1% 1.0 0.0 4.97 1041 920 A 56 TYR HD% A 57 LEU H 1.0 0.0 4.51 1042 921 A 57 LEU H B 310 TRP HZ2 1.0 0.0 5.00 1043 922 A 53 VAL HA A 57 LEU H 1.0 0.0 4.45 1044 923 A 57 LEU H A 57 LEU HBy 1.0 0.0 3.49 1045 924 A 37 LEU HDx% A 57 LEU H 1.0 0.0 4.51 1046 925 A 37 LEU HDy% A 38 LEU H 1.0 0.0 4.94 1047 926 A 57 LEU H A 53 VAL HB 1.0 0.0 5.00 1048 927 A 57 LEU H A 56 TYR HBy 1.0 0.0 4.61 1049 928 A 57 LEU H A 59 GLN H 1.0 0.0 5.00 1050 929 A 103 ILE HD1% A 102 MET H 1.0 0.0 5.00 1051 930 A 99 ILE HG2% A 102 MET H 1.0 0.0 5.00 1052 931 A 95 GLU H A 99 ILE HG1y 1.0 0.0 5.00 1053 932 A 102 MET H A 104 TYR HD% 1.0 0.0 5.00 1054 933 A 95 GLU H A 93 VAL H 1.0 0.0 4.78 1055 934 A 37 LEU HDx% A 37 LEU H 1.0 0.0 4.31 1056 935 A 37 LEU HDy% A 37 LEU H 1.0 0.0 3.97 1057 936 A 37 LEU HG A 37 LEU H 1.0 0.0 3.08 1058 937 A 37 LEU H A 37 LEU HB2 1.0 0.0 3.29 1059 937 A 37 LEU HB3 A 37 LEU H 1.0 0.0 3.29 1060 938 A 37 LEU H A 36 LYS HD2 1.0 0.0 4.91 1061 938 A 37 LEU H A 36 LYS HD3 1.0 0.0 4.91 1062 939 A 34 LEU HA A 37 LEU H 1.0 0.0 4.15 1063 940 A 33 LEU HA A 37 LEU H 1.0 0.0 5.00 1064 941 A 35 LEU H A 37 LEU H 1.0 0.0 4.73 1065 942 A 49 THR HG2% A 50 MET H 1.0 0.0 3.86 1066 943 A 50 MET HE% A 50 MET H 1.0 0.0 4.46 1067 944 A 50 MET H A 49 THR HB 1.0 0.0 3.88 1068 945 A 71 GLN H A 69 GLU H 1.0 0.0 4.24 1069 946 A 70 LYS HB2 A 71 GLN H 1.0 0.0 3.75 1070 947 A 71 GLN H A 70 LYS HGy 1.0 0.0 4.37 1071 948 A 71 GLN H A 70 LYS HGx 1.0 0.0 4.37 1072 949 A 71 GLN H A 68 ASP HBy 1.0 0.0 3.79 1073 950 A 74 ILE HG2% A 71 GLN H 1.0 0.0 5.00 1074 951 A 107 LEU HG A 108 VAL H 1.0 0.0 4.16 1075 952 A 107 LEU HBy A 108 VAL H 1.0 0.0 3.79 1076 953 A 107 LEU HDx% A 108 VAL H 1.0 0.0 3.89 1077 954 A 107 LEU HDy% A 108 VAL H 1.0 0.0 4.64 1078 955 A 29 ARG H A 28 VAL HGy% 1.0 0.0 3.85 1079 956 A 107 LEU HDy% A 29 ARG H 1.0 0.0 4.46 1080 957 A 29 ARG H A 28 VAL HGx% 1.0 0.0 3.85 1081 958 A 47 THR HG2% A 29 ARG H 1.0 0.0 5.00 1082 959 A 29 ARG H A 29 ARG HGx 1.0 0.0 3.93 1083 960 A 29 ARG H A 29 ARG HGy 1.0 0.0 3.93 1084 961 A 29 ARG H A 29 ARG HBx 1.0 0.0 3.87 1085 962 A 29 ARG H A 29 ARG HBy 1.0 0.0 3.87 1086 963 A 107 LEU HG A 29 ARG H 1.0 0.0 5.00 1087 964 A 28 VAL HA A 108 VAL H 1.0 0.0 5.00 1088 965 A 28 VAL HB A 108 VAL H 1.0 0.0 5.00 1089 966 A 54 LEU H A 55 PHE H 1.0 0.0 3.56 1090 967 A 10 THR HA A 11 ASP H 1.0 0.0 3.48 1091 968 A 51 LYS HA A 55 PHE H 1.0 0.0 4.91 1092 969 A 55 PHE H A 55 PHE HBx 1.0 0.0 3.86 1093 970 A 55 PHE H A 55 PHE HBy 1.0 0.0 3.86 1094 971 A 55 PHE H A 53 VAL HGx% 1.0 0.0 5.00 1095 972 A 55 PHE H A 53 VAL HGy% 1.0 0.0 5.00 1096 973 A 55 PHE H A 54 LEU HDy% 1.0 0.0 4.55 1097 974 A 55 PHE H A 54 LEU HDx% 1.0 0.0 4.55 1098 975 A 55 PHE H A 56 TYR HBy 1.0 0.0 5.00 1099 976 A 23 GLU H A 22 SER HB2 1.0 0.0 3.58 1100 976 A 22 SER HB3 A 23 GLU H 1.0 0.0 3.58 1101 977 A 84 ASP H A 84 ASP HBx 1.0 0.0 3.38 1102 978 A 84 ASP H A 84 ASP HBy 1.0 0.0 3.38 1103 979 A 85 LEU HBy A 84 ASP H 1.0 0.0 4.95 1104 980 A 84 ASP H A 81 LEU HDy% 1.0 0.0 4.95 1105 981 A 84 ASP H A 81 LEU HDx% 1.0 0.0 4.95 1106 982 A 11 ASP H A 11 ASP HB2 1.0 0.0 3.93 1107 982 A 11 ASP HB3 A 11 ASP H 1.0 0.0 3.93 1108 983 A 71 GLN HA A 74 ILE H 1.0 0.0 5.00 1109 984 A 74 ILE H A 72 GLN HA 1.0 0.0 5.00 1110 985 A 68 ASP HBx A 74 ILE H 1.0 0.0 4.97 1111 986 A 74 ILE HB A 74 ILE H 1.0 0.0 3.56 1112 987 A 74 ILE HD1% A 74 ILE H 1.0 0.0 3.87 1113 988 A 74 ILE HG2% A 74 ILE H 1.0 0.0 4.00 1114 989 A 13 ALA HB% A 13 ALA H 1.0 0.0 3.65 1115 990 A 37 LEU HDx% A 60 TYR H 1.0 0.0 4.57 1116 991 A 68 ASP H A 75 VAL HGy% 1.0 0.0 5.00 1117 992 A 74 ILE HG2% A 68 ASP H 1.0 0.0 4.03 1118 993 A 68 ASP H A 75 VAL HGx% 1.0 0.0 5.00 1119 994 A 60 TYR H A 41 VAL HGx% 1.0 0.0 4.64 1120 995 A 68 ASP HBy A 68 ASP H 1.0 0.0 3.46 1121 996 A 68 ASP HBy A 74 ILE H 1.0 0.0 5.00 1122 997 A 74 ILE H A 75 VAL H 1.0 0.0 4.40 1123 998 A 74 ILE H A 72 GLN H 1.0 0.0 4.53 1124 999 A 68 ASP H A 74 ILE H 1.0 0.0 5.00 1125 1000 A 60 TYR H A 41 VAL HGy% 1.0 0.0 4.64 1126 1001 A 74 ILE HB A 68 ASP H 1.0 0.0 5.00 1127 1002 A 68 ASP HBx A 68 ASP H 1.0 0.0 3.37 1128 1003 A 60 TYR H A 59 GLN HB2 1.0 0.0 3.59 1129 1003 A 59 GLN HB3 A 60 TYR H 1.0 0.0 3.59 1130 1004 A 41 VAL HB A 60 TYR H 1.0 0.0 5.00 1131 1005 A 57 LEU HA A 60 TYR H 1.0 0.0 4.20 1132 1006 A 75 VAL HA A 68 ASP H 1.0 0.0 4.53 1133 1007 A 20 PRO HDx A 19 ILE H 1.0 0.0 5.00 1134 1008 A 20 PRO HDy A 19 ILE H 1.0 0.0 4.85 1135 1009 A 68 ASP HA A 69 GLU H 1.0 0.0 3.26 1136 1010 A 68 ASP HBy A 69 GLU H 1.0 0.0 4.24 1137 1011 A 19 ILE H A 18 GLN HG2 1.0 0.0 4.29 1138 1011 A 18 GLN HG3 A 19 ILE H 1.0 0.0 4.29 1139 1012 A 19 ILE HB A 19 ILE H 1.0 0.0 2.84 1140 1013 A 69 GLU H A 70 LYS HD2 1.0 0.0 5.00 1141 1013 A 70 LYS HD3 A 69 GLU H 1.0 0.0 5.00 1142 1014 A 69 GLU H A 69 GLU HBy 1.0 0.0 3.66 1143 1015 A 69 GLU H A 69 GLU HBx 1.0 0.0 3.66 1144 1016 A 69 GLU H A 69 GLU HG2 1.0 0.0 3.22 1145 1016 A 69 GLU HG3 A 69 GLU H 1.0 0.0 3.22 1146 1017 A 19 ILE HG2% A 19 ILE H 1.0 0.0 4.09 1147 1018 A 19 ILE HD1% A 19 ILE H 1.0 0.0 4.51 1148 1019 A 19 ILE H A 19 ILE HG1x 1.0 0.0 3.90 1149 1020 A 19 ILE H A 19 ILE HG1y 1.0 0.0 3.90 1150 1021 A 40 SER H A 43 ALA H 1.0 0.0 5.00 1151 1022 A 56 TYR HE% A 43 ALA H 1.0 0.0 4.70 1152 1023 A 41 VAL HA A 43 ALA H 1.0 0.0 5.00 1153 1024 A 39 LYS HA A 43 ALA H 1.0 0.0 3.57 1154 1025 A 38 LEU HA A 43 ALA H 1.0 0.0 5.00 1155 1026 A 43 ALA H A 39 LYS HB2 1.0 0.0 4.60 1156 1026 A 39 LYS HB3 A 43 ALA H 1.0 0.0 4.60 1157 1027 A 43 ALA HB% A 43 ALA H 1.0 0.0 3.10 1158 1028 A 74 ILE HG2% A 75 VAL H 1.0 0.0 3.42 1159 1029 A 74 ILE HB A 75 VAL H 1.0 0.0 4.50 1160 1030 A 76 TYR H A 76 TYR HBx 1.0 0.0 3.68 1161 1031 A 76 TYR H A 76 TYR HBy 1.0 0.0 3.68 1162 1032 A 74 ILE HA A 75 VAL H 1.0 0.0 3.14 1163 1033 A 67 TYR HA A 76 TYR H 1.0 0.0 3.81 1164 1034 A 92 SER HA A 75 VAL H 1.0 0.0 4.24 1165 1035 A 76 TYR HE% A 76 TYR H 1.0 0.0 5.00 1166 1036 A 76 TYR H A 68 ASP H 1.0 0.0 4.33 1167 1037 A 74 ILE HD1% A 75 VAL H 1.0 0.0 3.58 1168 1038 A 27 LEU H A 27 LEU HDx% 1.0 0.0 3.89 1169 1039 A 27 LEU H A 26 THR HG2% 1.0 0.0 2.97 1170 1040 A 27 LEU H A 27 LEU HBx 1.0 0.0 3.73 1171 1041 A 27 LEU H A 27 LEU HBy 1.0 0.0 3.73 1172 1042 A 27 LEU HG A 27 LEU H 1.0 0.0 3.30 1173 1043 A 81 LEU H A 81 LEU HDy% 1.0 0.0 4.72 1174 1044 A 81 LEU H A 81 LEU HDx% 1.0 0.0 4.72 1175 1045 A 81 LEU H A 81 LEU HB2 1.0 0.0 3.90 1176 1045 A 81 LEU HB3 A 81 LEU H 1.0 0.0 3.90 1177 1046 A 11 ASP HA A 10 THR H 1.0 0.0 5.00 1178 1047 A 62 MET H A 62 MET HGy 1.0 0.0 4.50 1179 1048 A 64 LYS H A 64 LYS HDx 1.0 0.0 5.00 1180 1049 A 73 HIS HA A 93 VAL H 1.0 0.0 4.77 1181 1050 A 93 VAL H A 93 VAL HB 1.0 0.0 4.10 1182 1051 A 93 VAL H A 93 VAL HGx% 1.0 0.0 3.92 1183 1052 A 93 VAL H A 93 VAL HGy% 1.0 0.0 3.92 1184 1053 A 99 ILE HD1% A 93 VAL H 1.0 0.0 4.98 1185 1054 A 99 ILE H A 101 THR H 1.0 0.0 5.00 1186 1055 A 104 TYR H A 104 TYR HBx 1.0 0.0 3.43 1187 1056 A 103 ILE HB A 104 TYR H 1.0 0.0 3.31 1188 1057 A 28 VAL H A 29 ARG H 1.0 0.0 4.54 1189 1058 A 76 TYR H A 77 CYS H 1.0 0.0 5.00 1190 1059 A 91 PHE HD% A 75 VAL H 1.0 0.0 4.67 1191 1060 A 76 TYR H A 75 VAL HGx% 1.0 0.0 4.15 1192 1061 A 75 VAL HB A 75 VAL H 1.0 0.0 3.49 1193 1062 A 40 SER H A 38 LEU H 1.0 0.0 4.56 1194 1063 A 68 ASP H A 75 VAL H 1.0 0.0 5.00 1195 1064 A 76 TYR HD% A 69 GLU H 1.0 0.0 5.00 1196 1065 A 64 LYS H A 65 ARG H 1.0 0.0 3.57 1197 1066 A 61 ILE HA A 64 LYS H 1.0 0.0 5.00 1198 1067 A 64 LYS H A 62 MET HB2 1.0 0.0 4.74 1199 1067 A 62 MET HB3 A 64 LYS H 1.0 0.0 4.74 1200 1068 A 64 LYS H A 65 ARG HB2 1.0 0.0 5.00 1201 1068 A 64 LYS H A 65 ARG HB3 1.0 0.0 5.00 1202 1069 A 79 ASN HA A 79 ASN HD2y 1.0 0.0 4.35 1203 1070 A 79 ASN HA A 79 ASN HD2x 1.0 0.0 4.35 1204 1071 A 107 LEU HDx% A 108 VAL HA 1.0 0.0 5.00 1205 1072 B 305 THR HG2% B 305 THR HA 1.0 0.0 3.27 1206 1073 B 306 PHE HA B 309 LEU HG 1.0 0.0 4.89 1207 1074 B 306 PHE HA B 309 LEU HBx 1.0 0.0 5.00 1208 1075 A 56 TYR HA A 59 GLN HE2x 1.0 0.0 5.00 1209 1076 B 311 SER HA B 312 SER H 1.0 0.0 3.42 1210 1077 B 311 SER HA B 310 TRP HA 1.0 0.0 5.00 1211 1078 B 310 TRP HE3 B 310 TRP HA 1.0 0.0 5.00 1212 1079 B 312 SER HA B 312 SER HB2 1.0 0.0 2.91 1213 1079 B 312 SER HA B 312 SER HB3 1.0 0.0 2.91 1214 1080 B 309 LEU HA B 309 LEU HDx% 1.0 0.0 4.29 1215 1081 B 315 PRO HBy B 316 ASP HA 1.0 0.0 4.77 1216 1082 B 301 ASP HA B 301 ASP HB2 1.0 0.0 2.61 1217 1082 B 301 ASP HA B 301 ASP HB3 1.0 0.0 2.61 1218 1083 B 314 GLU HA B 314 GLU HG2 1.0 0.0 3.34 1219 1083 B 314 GLU HA B 314 GLU HG3 1.0 0.0 3.34 1220 1084 B 314 GLU HA B 315 PRO HDy 1.0 0.0 3.62 1221 1085 B 315 PRO HDy B 314 GLU HG2 1.0 0.0 4.02 1222 1085 B 314 GLU HG3 B 315 PRO HDy 1.0 0.0 4.02 1223 1086 B 315 PRO HDx B 314 GLU HG2 1.0 0.0 4.37 1224 1086 B 314 GLU HG3 B 315 PRO HDx 1.0 0.0 4.37 1225 1087 B 315 PRO HDx B 314 GLU H 1.0 0.0 5.00 1226 1088 B 304 THR HG2% B 302 GLY HAx 1.0 0.0 5.00 1227 1089 B 304 THR HG2% B 302 GLY HAy 1.0 0.0 5.00 1228 1090 B 316 ASP H B 316 ASP HBy 1.0 0.0 3.78 1229 1091 B 315 PRO HBy B 316 ASP HBy 1.0 0.0 5.00 1230 1092 B 315 PRO HBy B 316 ASP HBx 1.0 0.0 5.00 1231 1093 B 315 PRO HA B 316 ASP HBy 1.0 0.0 5.00 1232 1094 B 315 PRO HA B 316 ASP HBx 1.0 0.0 5.00 1233 1095 B 313 LEU HBx B 313 LEU HDy% 1.0 0.0 4.19 1234 1096 B 313 LEU HBx B 313 LEU HDx% 1.0 0.0 4.19 1235 1097 A 99 ILE HG1x B 313 LEU HBx 1.0 0.0 5.00 1236 1098 A 99 ILE HG1x B 313 LEU HBy 1.0 0.0 4.69 1237 1099 B 307 GLU HA B 307 GLU HGy 1.0 0.0 4.00 1238 1100 B 307 GLU HA B 307 GLU HGx 1.0 0.0 4.00 1239 1101 B 314 GLU H B 314 GLU HBx 1.0 0.0 3.79 1240 1102 B 315 PRO HDy B 314 GLU HBy 1.0 0.0 3.80 1241 1103 B 315 PRO HDy B 314 GLU HBx 1.0 0.0 3.80 1242 1104 B 305 THR HG2% B 308 HIS HB2 1.0 0.0 4.19 1243 1104 B 305 THR HG2% B 308 HIS HB3 1.0 0.0 4.19 1244 1105 B 309 LEU HBy B 308 HIS HB2 1.0 0.0 5.00 1245 1105 B 308 HIS HB3 B 309 LEU HBy 1.0 0.0 5.00 1246 1106 B 310 TRP HA B 313 LEU HG 1.0 0.0 4.19 1247 1107 B 313 LEU HG B 313 LEU HA 1.0 0.0 3.93 1248 1108 B 314 GLU H B 313 LEU HG 1.0 0.0 4.43 1249 1109 B 313 LEU HG B 313 LEU H 1.0 0.0 3.54 1250 1110 B 314 GLU HA B 315 PRO HGy 1.0 0.0 4.67 1251 1111 B 314 GLU HA B 315 PRO HGx 1.0 0.0 4.67 1252 1112 B 309 LEU HA B 309 LEU HDy% 1.0 0.0 4.29 1253 1113 A 73 HIS HA B 309 LEU HDy% 1.0 0.0 5.00 1254 1114 B 313 LEU HBy B 313 LEU HDx% 1.0 0.0 2.98 1255 1115 B 313 LEU HBy B 313 LEU HDy% 1.0 0.0 2.98 1256 1116 A 37 LEU HDx% A 57 LEU HG 1.0 0.0 3.99 1257 1117 A 99 ILE HB B 313 LEU HDx% 1.0 0.0 4.30 1258 1118 A 99 ILE HB B 313 LEU HDy% 1.0 0.0 4.30 1259 1119 B 313 LEU HA B 313 LEU HDx% 1.0 0.0 4.22 1260 1120 B 313 LEU HA B 313 LEU HDy% 1.0 0.0 4.22 1261 1121 A 37 LEU HDx% A 57 LEU HA 1.0 0.0 3.61 1262 1122 A 37 LEU HDx% A 41 VAL H 1.0 0.0 5.00 1263 1123 B 313 LEU H B 313 LEU HDy% 1.0 0.0 3.68 1264 1124 B 304 THR HG2% B 305 THR H 1.0 0.0 4.18 1265 1125 A 101 THR HG2% A 100 TYR HD% 1.0 0.0 5.00 1266 1126 B 304 THR HG2% B 308 HIS HB2 1.0 0.0 5.00 1267 1126 B 304 THR HG2% B 308 HIS HB3 1.0 0.0 5.00 1268 1127 B 314 GLU HA B 315 PRO HDx 1.0 0.0 3.19 1269 1128 B 310 TRP HA B 313 LEU HBx 1.0 0.0 3.58 1270 1129 A 73 HIS HA B 309 LEU HDx% 1.0 0.0 5.00 1271 1130 B 301 ASP HA B 302 GLY HAx 1.0 0.0 5.00 1272 1131 B 301 ASP HA B 302 GLY HAy 1.0 0.0 5.00 1273 1132 A 91 PHE HE% B 310 TRP HE3 1.0 0.0 4.56 1274 1133 B 306 PHE HE% B 310 TRP HE3 1.0 0.0 4.82 1275 1134 A 61 ILE HD1% B 310 TRP HZ2 1.0 0.0 4.40 1276 1135 B 310 TRP HZ2 A 57 LEU HG 1.0 0.0 4.48 1277 1136 B 310 TRP HD1 B 310 TRP HA 1.0 0.0 4.85 1278 1137 B 302 GLY H B 303 GLY H 1.0 0.0 3.88 1279 1138 B 301 ASP HA B 302 GLY H 1.0 0.0 3.09 1280 1139 B 302 GLY H B 301 ASP HB2 1.0 0.0 4.14 1281 1139 B 301 ASP HB3 B 302 GLY H 1.0 0.0 4.14 1282 1140 B 304 THR HG2% B 303 GLY H 1.0 0.0 4.08 1283 1141 B 303 GLY H B 304 THR H 1.0 0.0 3.64 1284 1142 B 304 THR H B 304 THR HB 1.0 0.0 4.11 1285 1143 B 304 THR HG2% B 304 THR H 1.0 0.0 3.71 1286 1144 A 58 GLY H B 310 TRP HE1 1.0 0.0 3.61 1287 1145 A 54 LEU H B 310 TRP HE1 1.0 0.0 5.00 1288 1146 A 57 LEU H B 310 TRP HE1 1.0 0.0 4.41 1289 1147 B 310 TRP H B 311 SER H 1.0 0.0 3.77 1290 1148 B 310 TRP H B 309 LEU H 1.0 0.0 3.90 1291 1149 B 308 HIS H B 308 HIS HB2 1.0 0.0 2.99 1292 1149 B 308 HIS HB3 B 308 HIS H 1.0 0.0 2.99 1293 1150 B 309 LEU H B 308 HIS H 1.0 0.0 3.37 1294 1151 B 309 LEU H B 308 HIS HB2 1.0 0.0 3.41 1295 1151 B 308 HIS HB3 B 309 LEU H 1.0 0.0 3.41 1296 1152 B 309 LEU H B 309 LEU HDy% 1.0 0.0 3.90 1297 1153 B 309 LEU H B 309 LEU HDx% 1.0 0.0 3.90 1298 1154 B 306 PHE HA B 309 LEU H 1.0 0.0 3.98 1299 1155 B 310 TRP H B 310 TRP HBy 1.0 0.0 3.61 1300 1156 B 310 TRP H B 309 LEU HDx% 1.0 0.0 4.79 1301 1157 B 310 TRP H B 309 LEU HDy% 1.0 0.0 4.79 1302 1158 B 310 TRP H B 311 SER HB2 1.0 0.0 4.47 1303 1158 B 310 TRP H B 311 SER HB3 1.0 0.0 4.47 1304 1159 B 311 SER HA B 310 TRP H 1.0 0.0 5.00 1305 1160 B 308 HIS HA B 310 TRP H 1.0 0.0 5.00 1306 1161 B 312 SER H B 311 SER H 1.0 0.0 3.56 1307 1162 B 305 THR H B 306 PHE H 1.0 0.0 5.00 1308 1163 A 72 GLN HA B 306 PHE H 1.0 0.0 4.95 1309 1164 B 305 THR HG2% B 306 PHE H 1.0 0.0 4.12 1310 1165 B 306 PHE H A 72 GLN HBy 1.0 0.0 4.24 1311 1166 B 306 PHE H A 72 GLN HBx 1.0 0.0 4.24 1312 1167 B 308 HIS H B 306 PHE H 1.0 0.0 5.00 1313 1168 B 305 THR HG2% B 308 HIS H 1.0 0.0 3.37 1314 1169 B 309 LEU HBx B 308 HIS H 1.0 0.0 5.00 1315 1170 B 308 HIS H B 309 LEU HDx% 1.0 0.0 5.00 1316 1171 B 308 HIS H B 309 LEU HDy% 1.0 0.0 5.00 1317 1172 B 305 THR HG2% B 309 LEU H 1.0 0.0 4.10 1318 1173 B 309 LEU HBx B 309 LEU H 1.0 0.0 3.47 1319 1174 B 309 LEU HBy B 309 LEU H 1.0 0.0 3.84 1320 1175 B 309 LEU HG B 309 LEU H 1.0 0.0 4.10 1321 1176 B 305 THR H B 309 LEU H 1.0 0.0 4.86 1322 1177 B 310 TRP H B 308 HIS H 1.0 0.0 5.00 1323 1178 B 310 TRP HE3 B 310 TRP H 1.0 0.0 5.00 1324 1179 B 312 SER H B 310 TRP H 1.0 0.0 4.78 1325 1180 B 310 TRP HD1 B 310 TRP H 1.0 0.0 4.81 1326 1181 B 310 TRP H B 312 SER HB2 1.0 0.0 4.72 1327 1181 B 312 SER HB3 B 310 TRP H 1.0 0.0 4.72 1328 1182 B 307 GLU HA B 310 TRP H 1.0 0.0 4.93 1329 1183 B 310 TRP H B 308 HIS HB2 1.0 0.0 4.66 1330 1183 B 308 HIS HB3 B 310 TRP H 1.0 0.0 4.66 1331 1184 B 310 TRP H B 310 TRP HBx 1.0 0.0 3.61 1332 1185 B 309 LEU HBy B 310 TRP H 1.0 0.0 4.69 1333 1186 A 59 GLN H B 310 TRP HE1 1.0 0.0 4.86 1334 1187 A 57 LEU HA B 310 TRP HE1 1.0 0.0 5.00 1335 1188 A 55 PHE HA B 310 TRP HE1 1.0 0.0 4.72 1336 1189 B 310 TRP HE1 A 58 GLY HAy 1.0 0.0 3.92 1337 1190 B 310 TRP HE1 A 58 GLY HAx 1.0 0.0 3.92 1338 1191 B 310 TRP HE1 A 57 LEU HDx% 1.0 0.0 4.80 1339 1192 B 310 TRP HE1 A 57 LEU HDy% 1.0 0.0 4.80 1340 1193 A 61 ILE HD1% B 310 TRP HE1 1.0 0.0 5.00 1341 1194 B 311 SER H B 309 LEU H 1.0 0.0 4.47 1342 1195 B 311 SER H B 311 SER HB2 1.0 0.0 3.06 1343 1195 B 311 SER H B 311 SER HB3 1.0 0.0 3.06 1344 1196 B 311 SER H B 312 SER HB2 1.0 0.0 4.68 1345 1196 B 312 SER HB3 B 311 SER H 1.0 0.0 4.68 1346 1197 B 311 SER H B 310 TRP HBx 1.0 0.0 4.24 1347 1198 B 311 SER H B 310 TRP HBy 1.0 0.0 4.24 1348 1199 B 312 SER H B 314 GLU H 1.0 0.0 4.52 1349 1200 B 312 SER H B 311 SER HB2 1.0 0.0 4.01 1350 1200 B 312 SER H B 311 SER HB3 1.0 0.0 4.01 1351 1201 B 312 SER H B 312 SER HB2 1.0 0.0 2.91 1352 1201 B 312 SER H B 312 SER HB3 1.0 0.0 2.91 1353 1202 B 312 SER H B 310 TRP HA 1.0 0.0 3.93 1354 1203 B 312 SER H B 313 LEU HA 1.0 0.0 4.72 1355 1204 B 312 SER H B 313 LEU HBx 1.0 0.0 4.18 1356 1205 B 312 SER H B 313 LEU HG 1.0 0.0 4.27 1357 1206 B 313 LEU H B 313 LEU HDx% 1.0 0.0 3.68 1358 1207 B 313 LEU H A 54 LEU HDx% 1.0 0.0 5.00 1359 1208 B 313 LEU H A 54 LEU HDy% 1.0 0.0 5.00 1360 1209 B 313 LEU HBx B 313 LEU H 1.0 0.0 2.98 1361 1210 A 54 LEU HG B 313 LEU H 1.0 0.0 5.00 1362 1211 B 313 LEU H B 314 GLU HG2 1.0 0.0 4.73 1363 1211 B 314 GLU HG3 B 313 LEU H 1.0 0.0 4.73 1364 1212 B 310 TRP HA B 313 LEU H 1.0 0.0 4.37 1365 1213 B 313 LEU H B 311 SER HB2 1.0 0.0 4.94 1366 1213 B 313 LEU H B 311 SER HB3 1.0 0.0 4.94 1367 1214 B 313 LEU H B 312 SER HB2 1.0 0.0 3.74 1368 1214 B 312 SER HB3 B 313 LEU H 1.0 0.0 3.74 1369 1215 B 312 SER HA B 313 LEU H 1.0 0.0 3.33 1370 1216 B 311 SER HA B 313 LEU H 1.0 0.0 4.00 1371 1217 B 314 GLU HA B 313 LEU H 1.0 0.0 5.00 1372 1218 B 312 SER H B 313 LEU H 1.0 0.0 3.12 1373 1219 B 314 GLU H B 313 LEU H 1.0 0.0 3.50 1374 1220 B 313 LEU H B 311 SER H 1.0 0.0 4.66 1375 1221 B 312 SER HA B 314 GLU H 1.0 0.0 3.59 1376 1222 B 314 GLU H B 313 LEU HA 1.0 0.0 3.38 1377 1223 B 314 GLU H B 314 GLU HG2 1.0 0.0 3.02 1378 1223 B 314 GLU HG3 B 314 GLU H 1.0 0.0 3.02 1379 1224 B 314 GLU H B 314 GLU HBy 1.0 0.0 3.79 1380 1225 B 314 GLU H B 313 LEU HBx 1.0 0.0 4.54 1381 1226 B 314 GLU H A 54 LEU HDy% 1.0 0.0 5.00 1382 1227 B 314 GLU H A 54 LEU HDx% 1.0 0.0 5.00 1383 1228 B 315 PRO HDy B 316 ASP H 1.0 0.0 3.89 1384 1229 B 316 ASP H B 316 ASP HBx 1.0 0.0 3.78 1385 1230 B 316 ASP H B 314 GLU HG2 1.0 0.0 4.52 1386 1230 B 314 GLU HG3 B 316 ASP H 1.0 0.0 4.52 1387 1231 B 315 PRO HBy B 316 ASP H 1.0 0.0 3.13 1388 1232 B 316 ASP H B 315 PRO HBx 1.0 0.0 4.01 1389 1233 B 305 THR HG2% B 305 THR H 1.0 0.0 3.21 1390 1234 B 305 THR H B 304 THR H 1.0 0.0 4.51 1391 1235 B 305 THR H B 304 THR HB 1.0 0.0 4.34 1392 1236 B 306 PHE HD% B 306 PHE H 1.0 0.0 4.84 1393 1237 A 8 VAL H A 8 VAL HGx% 1.0 0.0 3.41 1394 1237 A 8 VAL H A 8 VAL HGy% 1.0 0.0 3.41 1395 1238 A 8 VAL HA A 8 VAL HGx% 1.0 0.0 3.13 1396 1238 A 8 VAL HA A 8 VAL HGy% 1.0 0.0 3.13 1397 1239 A 9 PRO HDy A 8 VAL HGx% 1.0 0.0 3.04 1398 1239 A 9 PRO HDy A 8 VAL HGy% 1.0 0.0 3.04 1399 1240 A 9 PRO HDx A 8 VAL HGx% 1.0 0.0 4.96 1400 1240 A 9 PRO HDx A 8 VAL HGy% 1.0 0.0 4.96 1401 1241 A 14 VAL H A 14 VAL HGy% 1.0 0.0 3.88 1402 1241 A 14 VAL H A 14 VAL HGx% 1.0 0.0 3.88 1403 1242 A 15 THR H A 14 VAL HGy% 1.0 0.0 4.81 1404 1242 A 14 VAL HGx% A 15 THR H 1.0 0.0 4.81 1405 1243 A 19 ILE H A 18 GLN HBy 1.0 0.0 3.73 1406 1243 A 19 ILE H A 18 GLN HBx 1.0 0.0 3.73 1407 1244 A 19 ILE HA A 19 ILE HG1x 1.0 0.0 3.50 1408 1244 A 19 ILE HA A 19 ILE HG1y 1.0 0.0 3.50 1409 1245 A 19 ILE HG2% A 19 ILE HG1x 1.0 0.0 3.17 1410 1245 A 19 ILE HG2% A 19 ILE HG1y 1.0 0.0 3.17 1411 1246 A 20 PRO HDy A 19 ILE HG1x 1.0 0.0 4.74 1412 1246 A 20 PRO HDy A 19 ILE HG1y 1.0 0.0 4.74 1413 1247 A 20 PRO HDx A 19 ILE HG1x 1.0 0.0 4.88 1414 1247 A 20 PRO HDx A 19 ILE HG1y 1.0 0.0 4.88 1415 1248 A 21 ALA H A 20 PRO HBx 1.0 0.0 3.40 1416 1248 A 21 ALA H A 20 PRO HBy 1.0 0.0 3.40 1417 1249 A 23 GLU H A 23 GLU HBy 1.0 0.0 3.57 1418 1249 A 23 GLU H A 23 GLU HBx 1.0 0.0 3.57 1419 1250 A 24 GLN H A 23 GLU HBy 1.0 0.0 4.15 1420 1250 A 24 GLN H A 23 GLU HBx 1.0 0.0 4.15 1421 1251 A 27 LEU H A 27 LEU HBx 1.0 0.0 3.05 1422 1251 A 27 LEU H A 27 LEU HBy 1.0 0.0 3.05 1423 1252 A 27 LEU HA A 27 LEU HDy% 1.0 0.0 2.84 1424 1252 A 27 LEU HA A 27 LEU HDx% 1.0 0.0 2.84 1425 1253 A 27 LEU HBx A 27 LEU HDy% 1.0 0.0 2.49 1426 1253 A 27 LEU HBy A 27 LEU HDy% 1.0 0.0 2.49 1427 1253 A 27 LEU HDx% A 27 LEU HBx 1.0 0.0 2.49 1428 1253 A 27 LEU HBy A 27 LEU HDx% 1.0 0.0 2.49 1429 1254 A 28 VAL H A 27 LEU HBx 1.0 0.0 3.49 1430 1254 A 28 VAL H A 27 LEU HBy 1.0 0.0 3.49 1431 1255 A 27 LEU HBx A 28 VAL HGy% 1.0 0.0 4.83 1432 1255 A 28 VAL HGx% A 27 LEU HBx 1.0 0.0 4.83 1433 1255 A 27 LEU HBy A 28 VAL HGx% 1.0 0.0 4.83 1434 1255 A 27 LEU HBy A 28 VAL HGy% 1.0 0.0 4.83 1435 1256 A 47 THR HB A 27 LEU HBx 1.0 0.0 3.96 1436 1256 A 47 THR HB A 27 LEU HBy 1.0 0.0 3.96 1437 1257 A 28 VAL H A 27 LEU HDy% 1.0 0.0 3.97 1438 1257 A 28 VAL H A 27 LEU HDx% 1.0 0.0 3.97 1439 1258 A 47 THR HB A 27 LEU HDy% 1.0 0.0 3.52 1440 1258 A 47 THR HB A 27 LEU HDx% 1.0 0.0 3.52 1441 1259 A 48 TYR H A 27 LEU HDy% 1.0 0.0 3.49 1442 1259 A 48 TYR H A 27 LEU HDx% 1.0 0.0 3.49 1443 1260 A 48 TYR HA A 27 LEU HDy% 1.0 0.0 3.32 1444 1260 A 48 TYR HA A 27 LEU HDx% 1.0 0.0 3.32 1445 1261 A 27 LEU HDy% A 48 TYR HBx 1.0 0.0 4.38 1446 1261 A 27 LEU HDx% A 48 TYR HBx 1.0 0.0 4.38 1447 1261 A 48 TYR HBy A 27 LEU HDy% 1.0 0.0 4.38 1448 1261 A 27 LEU HDx% A 48 TYR HBy 1.0 0.0 4.38 1449 1262 A 49 THR H A 27 LEU HDy% 1.0 0.0 3.71 1450 1262 A 49 THR H A 27 LEU HDx% 1.0 0.0 3.71 1451 1263 A 49 THR HA A 27 LEU HDy% 1.0 0.0 3.51 1452 1263 A 49 THR HA A 27 LEU HDx% 1.0 0.0 3.51 1453 1264 A 49 THR HG2% A 27 LEU HDy% 1.0 0.0 2.80 1454 1264 A 49 THR HG2% A 27 LEU HDx% 1.0 0.0 2.80 1455 1265 A 50 MET H A 27 LEU HDy% 1.0 0.0 4.96 1456 1265 A 50 MET H A 27 LEU HDx% 1.0 0.0 4.96 1457 1266 A 28 VAL H A 28 VAL HGy% 1.0 0.0 3.29 1458 1266 A 28 VAL H A 28 VAL HGx% 1.0 0.0 3.29 1459 1267 A 29 ARG H A 28 VAL HGy% 1.0 0.0 3.30 1460 1267 A 29 ARG H A 28 VAL HGx% 1.0 0.0 3.30 1461 1268 A 48 TYR H A 28 VAL HGy% 1.0 0.0 4.42 1462 1268 A 48 TYR H A 28 VAL HGx% 1.0 0.0 4.42 1463 1269 A 28 VAL HGx% A 48 TYR HBx 1.0 0.0 4.83 1464 1269 A 28 VAL HGy% A 48 TYR HBx 1.0 0.0 4.83 1465 1269 A 48 TYR HBy A 28 VAL HGy% 1.0 0.0 4.83 1466 1269 A 28 VAL HGx% A 48 TYR HBy 1.0 0.0 4.83 1467 1270 A 107 LEU HBx A 28 VAL HGy% 1.0 0.0 4.39 1468 1270 A 107 LEU HBx A 28 VAL HGx% 1.0 0.0 4.39 1469 1271 A 107 LEU HDy% A 28 VAL HGy% 1.0 0.0 3.86 1470 1271 A 107 LEU HDy% A 28 VAL HGx% 1.0 0.0 3.86 1471 1272 A 29 ARG H A 29 ARG HBx 1.0 0.0 3.33 1472 1272 A 29 ARG H A 29 ARG HBy 1.0 0.0 3.33 1473 1273 A 29 ARG H A 29 ARG HGx 1.0 0.0 3.31 1474 1273 A 29 ARG H A 29 ARG HGy 1.0 0.0 3.31 1475 1274 A 29 ARG H A 29 ARG HDx 1.0 0.0 4.66 1476 1274 A 29 ARG H A 29 ARG HDy 1.0 0.0 4.66 1477 1275 A 29 ARG HBx A 29 ARG HDx 1.0 0.0 3.08 1478 1275 A 29 ARG HBy A 29 ARG HDx 1.0 0.0 3.08 1479 1275 A 29 ARG HDy A 29 ARG HBx 1.0 0.0 3.08 1480 1275 A 29 ARG HBy A 29 ARG HDy 1.0 0.0 3.08 1481 1276 A 108 VAL H A 29 ARG HGx 1.0 0.0 4.88 1482 1276 A 108 VAL H A 29 ARG HGy 1.0 0.0 4.88 1483 1277 A 47 THR HG2% A 29 ARG HDx 1.0 0.0 4.37 1484 1277 A 47 THR HG2% A 29 ARG HDy 1.0 0.0 4.37 1485 1278 A 108 VAL H A 29 ARG HDx 1.0 0.0 4.88 1486 1278 A 108 VAL H A 29 ARG HDy 1.0 0.0 4.88 1487 1279 A 29 ARG HDx A 108 VAL HG1% 1.0 0.0 4.15 1488 1279 A 29 ARG HDy A 108 VAL HG1% 1.0 0.0 4.15 1489 1279 A 108 VAL HG21 A 29 ARG HDx 1.0 0.0 4.15 1490 1279 A 29 ARG HDy A 108 VAL HG21 1.0 0.0 4.15 1491 1280 A 32 PRO HA A 33 LEU HDy% 1.0 0.0 4.96 1492 1280 A 32 PRO HA A 33 LEU HDx% 1.0 0.0 4.96 1493 1281 A 32 PRO HA A 35 LEU HBx 1.0 0.0 4.52 1494 1281 A 32 PRO HA A 35 LEU HBy 1.0 0.0 4.52 1495 1282 A 33 LEU H A 33 LEU HDy% 1.0 0.0 3.40 1496 1282 A 33 LEU H A 33 LEU HDx% 1.0 0.0 3.40 1497 1283 A 33 LEU HA A 36 LYS HBy 1.0 0.0 3.94 1498 1283 A 33 LEU HA A 36 LYS HBx 1.0 0.0 3.94 1499 1284 A 33 LEU HBy A 33 LEU HDy% 1.0 0.0 2.59 1500 1284 A 33 LEU HBx A 33 LEU HDy% 1.0 0.0 2.59 1501 1284 A 33 LEU HDx% A 33 LEU HBx 1.0 0.0 2.59 1502 1284 A 33 LEU HDx% A 33 LEU HBy 1.0 0.0 2.59 1503 1285 A 33 LEU HBy A 85 LEU HDy% 1.0 0.0 3.33 1504 1285 A 33 LEU HBx A 85 LEU HDy% 1.0 0.0 3.33 1505 1285 A 85 LEU HDx% A 33 LEU HBx 1.0 0.0 3.33 1506 1285 A 33 LEU HBy A 85 LEU HDx% 1.0 0.0 3.33 1507 1286 A 33 LEU HDy% A 85 LEU HDy% 1.0 0.0 2.99 1508 1286 A 33 LEU HDx% A 85 LEU HDy% 1.0 0.0 2.99 1509 1286 A 85 LEU HDx% A 33 LEU HDy% 1.0 0.0 2.99 1510 1286 A 33 LEU HDx% A 85 LEU HDx% 1.0 0.0 2.99 1511 1287 A 34 LEU H A 38 LEU HDy% 1.0 0.0 4.96 1512 1287 A 34 LEU H A 38 LEU HDx% 1.0 0.0 4.96 1513 1288 A 35 LEU H A 34 LEU HB2 1.0 0.0 3.69 1514 1288 A 35 LEU H A 34 LEU HBy 1.0 0.0 3.69 1515 1289 A 34 LEU HG A 38 LEU HDy% 1.0 0.0 4.18 1516 1289 A 34 LEU HG A 38 LEU HDx% 1.0 0.0 4.18 1517 1290 A 34 LEU HDy% A 38 LEU HDy% 1.0 0.0 3.79 1518 1290 A 38 LEU HDx% A 34 LEU HDy% 1.0 0.0 3.79 1519 1291 A 35 LEU H A 35 LEU HBx 1.0 0.0 3.28 1520 1291 A 35 LEU H A 35 LEU HBy 1.0 0.0 3.28 1521 1292 A 35 LEU H A 35 LEU HDy% 1.0 0.0 3.85 1522 1292 A 35 LEU H A 35 LEU HDx% 1.0 0.0 3.85 1523 1293 A 35 LEU H A 38 LEU HDy% 1.0 0.0 4.57 1524 1293 A 35 LEU H A 38 LEU HDx% 1.0 0.0 4.57 1525 1294 A 35 LEU HA A 35 LEU HDy% 1.0 0.0 3.00 1526 1294 A 35 LEU HA A 35 LEU HDx% 1.0 0.0 3.00 1527 1295 A 35 LEU HA A 38 LEU HBx 1.0 0.0 3.71 1528 1295 A 35 LEU HA A 38 LEU HBy 1.0 0.0 3.71 1529 1296 A 35 LEU HA A 38 LEU HDy% 1.0 0.0 3.62 1530 1296 A 35 LEU HA A 38 LEU HDx% 1.0 0.0 3.62 1531 1297 A 35 LEU HBx A 35 LEU HDy% 1.0 0.0 2.54 1532 1297 A 35 LEU HBy A 35 LEU HDy% 1.0 0.0 2.54 1533 1297 A 35 LEU HDx% A 35 LEU HBx 1.0 0.0 2.54 1534 1297 A 35 LEU HBy A 35 LEU HDx% 1.0 0.0 2.54 1535 1298 A 36 LYS H A 35 LEU HDy% 1.0 0.0 4.17 1536 1298 A 36 LYS H A 35 LEU HDx% 1.0 0.0 4.17 1537 1299 A 36 LYS HA A 35 LEU HDy% 1.0 0.0 4.96 1538 1299 A 36 LYS HA A 35 LEU HDx% 1.0 0.0 4.96 1539 1300 A 35 LEU HDy% A 38 LEU HDy% 1.0 0.0 4.45 1540 1300 A 38 LEU HDx% A 35 LEU HDy% 1.0 0.0 4.45 1541 1300 A 38 LEU HDx% A 35 LEU HDx% 1.0 0.0 4.45 1542 1300 A 35 LEU HDx% A 38 LEU HDy% 1.0 0.0 4.45 1543 1301 A 39 LYS H A 35 LEU HDy% 1.0 0.0 4.95 1544 1301 A 39 LYS H A 35 LEU HDx% 1.0 0.0 4.95 1545 1302 A 43 ALA HB% A 35 LEU HDy% 1.0 0.0 4.55 1546 1302 A 43 ALA HB% A 35 LEU HDx% 1.0 0.0 4.55 1547 1303 A 36 LYS H A 36 LYS HBy 1.0 0.0 3.06 1548 1303 A 36 LYS H A 36 LYS HBx 1.0 0.0 3.06 1549 1304 A 37 LEU H A 36 LYS HBy 1.0 0.0 3.58 1550 1304 A 37 LEU H A 36 LYS HBx 1.0 0.0 3.58 1551 1305 A 37 LEU H A 36 LYS HGx 1.0 0.0 4.06 1552 1305 A 37 LEU H A 36 LYS HGy 1.0 0.0 4.06 1553 1306 A 37 LEU HG A 36 LYS HGx 1.0 0.0 4.75 1554 1306 A 37 LEU HG A 36 LYS HGy 1.0 0.0 4.75 1555 1307 A 37 LEU H A 38 LEU HDy% 1.0 0.0 4.64 1556 1307 A 37 LEU H A 38 LEU HDx% 1.0 0.0 4.64 1557 1308 A 37 LEU HG A 38 LEU HDy% 1.0 0.0 3.98 1558 1308 A 37 LEU HG A 38 LEU HDx% 1.0 0.0 3.98 1559 1309 A 37 LEU HDx% A 38 LEU HDy% 1.0 0.0 3.27 1560 1309 A 37 LEU HDx% A 38 LEU HDx% 1.0 0.0 3.27 1561 1310 A 37 LEU HDx% A 41 VAL HGy% 1.0 0.0 4.17 1562 1310 A 37 LEU HDx% A 41 VAL HGx% 1.0 0.0 4.17 1563 1311 A 37 LEU HDx% A 57 LEU HDy% 1.0 0.0 3.08 1564 1311 A 37 LEU HDx% A 57 LEU HDx% 1.0 0.0 3.08 1565 1312 A 38 LEU H A 38 LEU HDy% 1.0 0.0 3.68 1566 1312 A 38 LEU H A 38 LEU HDx% 1.0 0.0 3.68 1567 1313 A 38 LEU HA A 38 LEU HDy% 1.0 0.0 3.28 1568 1313 A 38 LEU HA A 38 LEU HDx% 1.0 0.0 3.28 1569 1314 A 38 LEU HA A 41 VAL HGy% 1.0 0.0 4.10 1570 1314 A 38 LEU HA A 41 VAL HGx% 1.0 0.0 4.10 1571 1315 A 39 LYS H A 38 LEU HBx 1.0 0.0 3.82 1572 1315 A 39 LYS H A 38 LEU HBy 1.0 0.0 3.82 1573 1316 A 43 ALA H A 38 LEU HBx 1.0 0.0 4.86 1574 1316 A 43 ALA H A 38 LEU HBy 1.0 0.0 4.86 1575 1317 A 43 ALA HB% A 38 LEU HBx 1.0 0.0 3.99 1576 1317 A 43 ALA HB% A 38 LEU HBy 1.0 0.0 3.99 1577 1318 A 39 LYS H A 38 LEU HDy% 1.0 0.0 4.60 1578 1318 A 39 LYS H A 38 LEU HDx% 1.0 0.0 4.60 1579 1319 A 38 LEU HDx% A 41 VAL HGy% 1.0 0.0 3.86 1580 1319 A 41 VAL HGx% A 38 LEU HDy% 1.0 0.0 3.86 1581 1319 A 38 LEU HDx% A 41 VAL HGx% 1.0 0.0 3.86 1582 1319 A 38 LEU HDy% A 41 VAL HGy% 1.0 0.0 3.86 1583 1320 A 53 VAL HA A 38 LEU HDy% 1.0 0.0 3.77 1584 1320 A 53 VAL HA A 38 LEU HDx% 1.0 0.0 3.77 1585 1321 A 56 TYR HBy A 38 LEU HDy% 1.0 0.0 3.89 1586 1321 A 56 TYR HBy A 38 LEU HDx% 1.0 0.0 3.89 1587 1322 A 56 TYR HBx A 38 LEU HDy% 1.0 0.0 3.37 1588 1322 A 56 TYR HBx A 38 LEU HDx% 1.0 0.0 3.37 1589 1323 A 56 TYR HD% A 38 LEU HDy% 1.0 0.0 3.53 1590 1323 A 56 TYR HD% A 38 LEU HDx% 1.0 0.0 3.53 1591 1324 A 56 TYR HE% A 38 LEU HDy% 1.0 0.0 4.96 1592 1324 A 56 TYR HE% A 38 LEU HDx% 1.0 0.0 4.96 1593 1325 A 57 LEU H A 38 LEU HDy% 1.0 0.0 3.93 1594 1325 A 57 LEU H A 38 LEU HDx% 1.0 0.0 3.93 1595 1326 A 57 LEU HA A 38 LEU HDy% 1.0 0.0 4.34 1596 1326 A 57 LEU HA A 38 LEU HDx% 1.0 0.0 4.34 1597 1327 A 57 LEU HBy A 38 LEU HDy% 1.0 0.0 4.41 1598 1327 A 57 LEU HBy A 38 LEU HDx% 1.0 0.0 4.41 1599 1328 A 40 SER H A 41 VAL HGy% 1.0 0.0 4.37 1600 1328 A 40 SER H A 41 VAL HGx% 1.0 0.0 4.37 1601 1329 A 41 VAL H A 41 VAL HGy% 1.0 0.0 3.06 1602 1329 A 41 VAL H A 41 VAL HGx% 1.0 0.0 3.06 1603 1330 A 41 VAL H A 42 GLY HAx 1.0 0.0 4.64 1604 1330 A 41 VAL H A 42 GLY HAy 1.0 0.0 4.64 1605 1331 A 41 VAL HA A 42 GLY HAx 1.0 0.0 4.28 1606 1331 A 41 VAL HA A 42 GLY HAy 1.0 0.0 4.28 1607 1332 A 42 GLY H A 41 VAL HGy% 1.0 0.0 3.42 1608 1332 A 42 GLY H A 41 VAL HGx% 1.0 0.0 3.42 1609 1333 A 41 VAL HGx% A 42 GLY HAx 1.0 0.0 4.23 1610 1333 A 41 VAL HGy% A 42 GLY HAx 1.0 0.0 4.23 1611 1333 A 42 GLY HAy A 41 VAL HGy% 1.0 0.0 4.23 1612 1333 A 41 VAL HGx% A 42 GLY HAy 1.0 0.0 4.23 1613 1334 A 43 ALA H A 41 VAL HGy% 1.0 0.0 3.43 1614 1334 A 43 ALA H A 41 VAL HGx% 1.0 0.0 3.43 1615 1335 A 43 ALA HB% A 41 VAL HGy% 1.0 0.0 3.95 1616 1335 A 43 ALA HB% A 41 VAL HGx% 1.0 0.0 3.95 1617 1336 A 56 TYR H A 41 VAL HGy% 1.0 0.0 4.96 1618 1336 A 56 TYR H A 41 VAL HGx% 1.0 0.0 4.96 1619 1337 A 56 TYR HA A 41 VAL HGy% 1.0 0.0 4.96 1620 1337 A 56 TYR HA A 41 VAL HGx% 1.0 0.0 4.96 1621 1338 A 56 TYR HD% A 41 VAL HGy% 1.0 0.0 3.48 1622 1338 A 56 TYR HD% A 41 VAL HGx% 1.0 0.0 3.48 1623 1339 A 57 LEU H A 41 VAL HGy% 1.0 0.0 4.92 1624 1339 A 57 LEU H A 41 VAL HGx% 1.0 0.0 4.92 1625 1340 A 59 GLN H A 41 VAL HGy% 1.0 0.0 4.33 1626 1340 A 59 GLN H A 41 VAL HGx% 1.0 0.0 4.33 1627 1341 A 60 TYR H A 41 VAL HGy% 1.0 0.0 3.97 1628 1341 A 60 TYR H A 41 VAL HGx% 1.0 0.0 3.97 1629 1342 A 43 ALA HB% A 42 GLY HAx 1.0 0.0 4.34 1630 1342 A 43 ALA HB% A 42 GLY HAy 1.0 0.0 4.34 1631 1343 A 43 ALA H A 44 GLN HGx 1.0 0.0 4.88 1632 1343 A 43 ALA H A 44 GLN HGy 1.0 0.0 4.88 1633 1344 A 43 ALA HA A 44 GLN HGx 1.0 0.0 4.10 1634 1344 A 43 ALA HA A 44 GLN HGy 1.0 0.0 4.10 1635 1345 A 44 GLN H A 44 GLN HGx 1.0 0.0 3.53 1636 1345 A 44 GLN H A 44 GLN HGy 1.0 0.0 3.53 1637 1346 A 44 GLN H A 45 LYS HGx 1.0 0.0 4.73 1638 1346 A 44 GLN H A 45 LYS HGy 1.0 0.0 4.73 1639 1347 A 44 GLN HA A 44 GLN HGx 1.0 0.0 3.30 1640 1347 A 44 GLN HA A 44 GLN HGy 1.0 0.0 3.30 1641 1348 A 44 GLN HBy A 44 GLN HGx 1.0 0.0 2.49 1642 1348 A 44 GLN HBy A 44 GLN HGy 1.0 0.0 2.49 1643 1349 A 45 LYS H A 45 LYS HGx 1.0 0.0 3.54 1644 1349 A 45 LYS H A 45 LYS HGy 1.0 0.0 3.54 1645 1350 A 45 LYS HBy A 45 LYS HE2 1.0 0.0 3.39 1646 1350 A 45 LYS HBx A 45 LYS HE2 1.0 0.0 3.39 1647 1350 A 45 LYS HE3 A 45 LYS HBy 1.0 0.0 3.39 1648 1350 A 45 LYS HE3 A 45 LYS HBx 1.0 0.0 3.39 1649 1351 A 47 THR H A 45 LYS HBy 1.0 0.0 3.30 1650 1351 A 47 THR H A 45 LYS HBx 1.0 0.0 3.30 1651 1352 A 45 LYS HE2 A 45 LYS HGx 1.0 0.0 3.43 1652 1352 A 45 LYS HE3 A 45 LYS HGx 1.0 0.0 3.43 1653 1352 A 45 LYS HGy A 45 LYS HE2 1.0 0.0 3.43 1654 1352 A 45 LYS HE3 A 45 LYS HGy 1.0 0.0 3.43 1655 1353 A 47 THR H A 46 ASP HBy 1.0 0.0 3.43 1656 1353 A 47 THR H A 46 ASP HBx 1.0 0.0 3.43 1657 1354 A 47 THR HB A 48 TYR HBx 1.0 0.0 4.88 1658 1354 A 47 THR HB A 48 TYR HBy 1.0 0.0 4.88 1659 1355 A 48 TYR H A 48 TYR HBx 1.0 0.0 3.55 1660 1355 A 48 TYR H A 48 TYR HBy 1.0 0.0 3.55 1661 1356 A 49 THR H A 48 TYR HBx 1.0 0.0 3.53 1662 1356 A 49 THR H A 48 TYR HBy 1.0 0.0 3.53 1663 1357 A 53 VAL H A 48 TYR HBx 1.0 0.0 4.88 1664 1357 A 53 VAL H A 48 TYR HBy 1.0 0.0 4.88 1665 1358 A 48 TYR HBx A 53 VAL HGy% 1.0 0.0 4.11 1666 1358 A 48 TYR HBy A 53 VAL HGy% 1.0 0.0 4.11 1667 1358 A 53 VAL HGx% A 48 TYR HBx 1.0 0.0 4.11 1668 1358 A 48 TYR HBy A 53 VAL HGx% 1.0 0.0 4.11 1669 1359 A 49 THR H A 51 LYS HBy 1.0 0.0 4.88 1670 1359 A 49 THR H A 51 LYS HBx 1.0 0.0 4.88 1671 1360 A 49 THR H A 53 VAL HGy% 1.0 0.0 4.61 1672 1360 A 49 THR H A 53 VAL HGx% 1.0 0.0 4.61 1673 1361 A 49 THR HA A 53 VAL HGy% 1.0 0.0 4.67 1674 1361 A 49 THR HA A 53 VAL HGx% 1.0 0.0 4.67 1675 1362 A 50 MET H A 53 VAL HGy% 1.0 0.0 4.29 1676 1362 A 50 MET H A 53 VAL HGx% 1.0 0.0 4.29 1677 1363 A 50 MET HE% B 313 LEU HDy% 1.0 0.0 4.21 1678 1363 A 50 MET HE% B 313 LEU HDx% 1.0 0.0 4.21 1679 1364 A 51 LYS H A 51 LYS HBy 1.0 0.0 2.99 1680 1364 A 51 LYS H A 51 LYS HBx 1.0 0.0 2.99 1681 1365 A 51 LYS H A 51 LYS HGx 1.0 0.0 4.07 1682 1365 A 51 LYS H A 51 LYS HGy 1.0 0.0 4.07 1683 1366 A 51 LYS H A 53 VAL HGy% 1.0 0.0 4.67 1684 1366 A 51 LYS H A 53 VAL HGx% 1.0 0.0 4.67 1685 1367 A 51 LYS H A 54 LEU HDy% 1.0 0.0 4.63 1686 1367 A 51 LYS H A 54 LEU HDx% 1.0 0.0 4.63 1687 1368 A 51 LYS HA A 54 LEU HDy% 1.0 0.0 3.55 1688 1368 A 51 LYS HA A 54 LEU HDx% 1.0 0.0 3.55 1689 1369 A 52 GLU H A 51 LYS HGx 1.0 0.0 4.22 1690 1369 A 52 GLU H A 51 LYS HGy 1.0 0.0 4.22 1691 1370 A 51 LYS HGx A 54 LEU HDy% 1.0 0.0 4.83 1692 1370 A 51 LYS HGy A 54 LEU HDy% 1.0 0.0 4.83 1693 1370 A 54 LEU HDx% A 51 LYS HGx 1.0 0.0 4.83 1694 1370 A 51 LYS HGy A 54 LEU HDx% 1.0 0.0 4.83 1695 1371 A 52 GLU H A 53 VAL HGy% 1.0 0.0 4.12 1696 1371 A 52 GLU H A 53 VAL HGx% 1.0 0.0 4.12 1697 1372 A 52 GLU H A 54 LEU HDy% 1.0 0.0 4.96 1698 1372 A 52 GLU H A 54 LEU HDx% 1.0 0.0 4.96 1699 1373 A 53 VAL H A 53 VAL HGy% 1.0 0.0 2.95 1700 1373 A 53 VAL H A 53 VAL HGx% 1.0 0.0 2.95 1701 1374 A 53 VAL H A 54 LEU HDy% 1.0 0.0 4.63 1702 1374 A 53 VAL H A 54 LEU HDx% 1.0 0.0 4.63 1703 1375 A 53 VAL HA A 53 VAL HGy% 1.0 0.0 2.91 1704 1375 A 53 VAL HA A 53 VAL HGx% 1.0 0.0 2.91 1705 1376 A 54 LEU H A 53 VAL HGy% 1.0 0.0 3.50 1706 1376 A 54 LEU H A 53 VAL HGx% 1.0 0.0 3.50 1707 1377 A 53 VAL HGy% A 54 LEU HDy% 1.0 0.0 3.58 1708 1377 A 53 VAL HGx% A 54 LEU HDy% 1.0 0.0 3.58 1709 1377 A 54 LEU HDx% A 53 VAL HGy% 1.0 0.0 3.58 1710 1377 A 53 VAL HGx% A 54 LEU HDx% 1.0 0.0 3.58 1711 1378 A 57 LEU H A 53 VAL HGy% 1.0 0.0 3.42 1712 1378 A 57 LEU H A 53 VAL HGx% 1.0 0.0 3.42 1713 1379 A 57 LEU HBy A 53 VAL HGy% 1.0 0.0 3.20 1714 1379 A 57 LEU HBy A 53 VAL HGx% 1.0 0.0 3.20 1715 1380 A 57 LEU HBx A 53 VAL HGy% 1.0 0.0 4.12 1716 1380 A 57 LEU HBx A 53 VAL HGx% 1.0 0.0 4.12 1717 1381 A 103 ILE HG2% A 53 VAL HGy% 1.0 0.0 3.24 1718 1381 A 103 ILE HG2% A 53 VAL HGx% 1.0 0.0 3.24 1719 1382 A 103 ILE HD1% A 53 VAL HGy% 1.0 0.0 3.08 1720 1382 A 103 ILE HD1% A 53 VAL HGx% 1.0 0.0 3.08 1721 1383 A 54 LEU H A 54 LEU HDy% 1.0 0.0 3.21 1722 1383 A 54 LEU H A 54 LEU HDx% 1.0 0.0 3.21 1723 1384 A 54 LEU HG B 313 LEU HDy% 1.0 0.0 3.96 1724 1384 A 54 LEU HG B 313 LEU HDx% 1.0 0.0 3.96 1725 1385 A 57 LEU HBx A 54 LEU HDy% 1.0 0.0 4.69 1726 1385 A 57 LEU HBx A 54 LEU HDx% 1.0 0.0 4.69 1727 1386 A 100 TYR HE% A 54 LEU HDy% 1.0 0.0 3.76 1728 1386 A 100 TYR HE% A 54 LEU HDx% 1.0 0.0 3.76 1729 1387 B 310 TRP HE1 A 54 LEU HDy% 1.0 0.0 4.67 1730 1387 B 310 TRP HE1 A 54 LEU HDx% 1.0 0.0 4.67 1731 1388 B 310 TRP HZ2 A 54 LEU HDy% 1.0 0.0 4.13 1732 1388 B 310 TRP HZ2 A 54 LEU HDx% 1.0 0.0 4.13 1733 1389 B 313 LEU H A 54 LEU HDy% 1.0 0.0 4.20 1734 1389 B 313 LEU H A 54 LEU HDx% 1.0 0.0 4.20 1735 1390 B 313 LEU HBx A 54 LEU HDy% 1.0 0.0 4.96 1736 1390 B 313 LEU HBx A 54 LEU HDx% 1.0 0.0 4.96 1737 1391 A 54 LEU HDy% B 313 LEU HDy% 1.0 0.0 2.98 1738 1391 A 54 LEU HDx% B 313 LEU HDy% 1.0 0.0 2.98 1739 1391 B 313 LEU HDx% A 54 LEU HDy% 1.0 0.0 2.98 1740 1391 B 313 LEU HDx% A 54 LEU HDx% 1.0 0.0 2.98 1741 1392 B 314 GLU H A 54 LEU HDy% 1.0 0.0 4.01 1742 1392 B 314 GLU H A 54 LEU HDx% 1.0 0.0 4.01 1743 1393 A 54 LEU HDy% B 314 GLU HG2 1.0 0.0 4.70 1744 1393 A 54 LEU HDx% B 314 GLU HG2 1.0 0.0 4.70 1745 1393 B 314 GLU HG3 A 54 LEU HDy% 1.0 0.0 4.70 1746 1393 B 314 GLU HG3 A 54 LEU HDx% 1.0 0.0 4.70 1747 1394 B 315 PRO HDy A 54 LEU HDy% 1.0 0.0 4.92 1748 1394 B 315 PRO HDy A 54 LEU HDx% 1.0 0.0 4.92 1749 1395 A 55 PHE H A 55 PHE HBx 1.0 0.0 3.33 1750 1395 A 55 PHE H A 55 PHE HBy 1.0 0.0 3.33 1751 1396 A 56 TYR H A 55 PHE HBx 1.0 0.0 3.64 1752 1396 A 56 TYR H A 55 PHE HBy 1.0 0.0 3.64 1753 1397 A 56 TYR H A 59 GLN HGx 1.0 0.0 4.04 1754 1397 A 56 TYR H A 59 GLN HGy 1.0 0.0 4.04 1755 1398 A 56 TYR HD% A 59 GLN HGx 1.0 0.0 3.84 1756 1398 A 56 TYR HD% A 59 GLN HGy 1.0 0.0 3.84 1757 1399 A 57 LEU HA A 57 LEU HDy% 1.0 0.0 3.46 1758 1399 A 57 LEU HA A 57 LEU HDx% 1.0 0.0 3.46 1759 1400 A 58 GLY H A 57 LEU HDy% 1.0 0.0 4.62 1760 1400 A 58 GLY H A 57 LEU HDx% 1.0 0.0 4.62 1761 1401 A 59 GLN H A 57 LEU HDy% 1.0 0.0 4.96 1762 1401 A 59 GLN H A 57 LEU HDx% 1.0 0.0 4.96 1763 1402 A 61 ILE HD1% A 57 LEU HDy% 1.0 0.0 3.81 1764 1402 A 61 ILE HD1% A 57 LEU HDx% 1.0 0.0 3.81 1765 1403 A 99 ILE HG2% A 57 LEU HDy% 1.0 0.0 3.97 1766 1403 A 99 ILE HG2% A 57 LEU HDx% 1.0 0.0 3.97 1767 1404 A 99 ILE HD1% A 57 LEU HDy% 1.0 0.0 4.96 1768 1404 A 99 ILE HD1% A 57 LEU HDx% 1.0 0.0 4.96 1769 1405 A 103 ILE HG1y A 57 LEU HDy% 1.0 0.0 4.21 1770 1405 A 103 ILE HG1y A 57 LEU HDx% 1.0 0.0 4.21 1771 1406 A 103 ILE HD1% A 57 LEU HDy% 1.0 0.0 3.31 1772 1406 A 103 ILE HD1% A 57 LEU HDx% 1.0 0.0 3.31 1773 1407 B 310 TRP HE1 A 57 LEU HDy% 1.0 0.0 4.22 1774 1407 B 310 TRP HE1 A 57 LEU HDx% 1.0 0.0 4.22 1775 1408 B 310 TRP HZ2 A 57 LEU HDy% 1.0 0.0 3.86 1776 1408 B 310 TRP HZ2 A 57 LEU HDx% 1.0 0.0 3.86 1777 1409 A 58 GLY H A 59 GLN HGx 1.0 0.0 4.37 1778 1409 A 58 GLY H A 59 GLN HGy 1.0 0.0 4.37 1779 1410 A 60 TYR H A 58 GLY HAx 1.0 0.0 4.88 1780 1410 A 60 TYR H A 58 GLY HAy 1.0 0.0 4.88 1781 1411 A 61 ILE H A 58 GLY HAx 1.0 0.0 4.40 1782 1411 A 61 ILE H A 58 GLY HAy 1.0 0.0 4.40 1783 1412 B 310 TRP HE1 A 58 GLY HAx 1.0 0.0 3.31 1784 1412 B 310 TRP HE1 A 58 GLY HAy 1.0 0.0 3.31 1785 1413 A 59 GLN H A 59 GLN HGx 1.0 0.0 3.23 1786 1413 A 59 GLN H A 59 GLN HGy 1.0 0.0 3.23 1787 1414 A 59 GLN H A 59 GLN HE2y 1.0 0.0 4.05 1788 1414 A 59 GLN H A 59 GLN HE2x 1.0 0.0 4.05 1789 1415 A 59 GLN HA A 59 GLN HE2y 1.0 0.0 4.19 1790 1415 A 59 GLN HA A 59 GLN HE2x 1.0 0.0 4.19 1791 1416 A 59 GLN HE2y A 59 GLN HGy 1.0 0.0 3.12 1792 1416 A 59 GLN HE2x A 59 GLN HGx 1.0 0.0 3.12 1793 1416 A 59 GLN HE2x A 59 GLN HGy 1.0 0.0 3.12 1794 1416 A 59 GLN HE2y A 59 GLN HGx 1.0 0.0 3.12 1795 1417 A 60 TYR H A 59 GLN HGx 1.0 0.0 4.88 1796 1417 A 60 TYR H A 59 GLN HGy 1.0 0.0 4.88 1797 1418 A 61 ILE HA A 66 LEU HD1% 1.0 0.0 4.13 1798 1418 A 61 ILE HA A 66 LEU HD21 1.0 0.0 4.13 1799 1419 A 61 ILE HA A 75 VAL HGy% 1.0 0.0 4.96 1800 1419 A 61 ILE HA A 75 VAL HGx% 1.0 0.0 4.96 1801 1420 A 61 ILE HA A 82 LEU HDy% 1.0 0.0 4.47 1802 1420 A 61 ILE HA A 82 LEU HDx% 1.0 0.0 4.47 1803 1421 A 61 ILE HG2% A 66 LEU HD1% 1.0 0.0 4.83 1804 1421 A 61 ILE HG2% A 66 LEU HD21 1.0 0.0 4.83 1805 1422 A 61 ILE HG2% A 75 VAL HGy% 1.0 0.0 2.94 1806 1422 A 61 ILE HG2% A 75 VAL HGx% 1.0 0.0 2.94 1807 1423 A 61 ILE HG2% A 82 LEU HDy% 1.0 0.0 3.43 1808 1423 A 61 ILE HG2% A 82 LEU HDx% 1.0 0.0 3.43 1809 1424 A 61 ILE HG13 A 82 LEU HDy% 1.0 0.0 3.31 1810 1424 A 61 ILE HG12 A 82 LEU HDy% 1.0 0.0 3.31 1811 1424 A 82 LEU HDx% A 61 ILE HG12 1.0 0.0 3.31 1812 1424 A 61 ILE HG13 A 82 LEU HDx% 1.0 0.0 3.31 1813 1425 A 61 ILE HD1% A 75 VAL HGy% 1.0 0.0 4.02 1814 1425 A 61 ILE HD1% A 75 VAL HGx% 1.0 0.0 4.02 1815 1426 A 62 MET HA A 62 MET HGx 1.0 0.0 3.36 1816 1426 A 62 MET HA A 62 MET HGy 1.0 0.0 3.36 1817 1427 B 306 PHE HD% A 62 MET HGx 1.0 0.0 3.91 1818 1427 B 306 PHE HD% A 62 MET HGy 1.0 0.0 3.91 1819 1428 B 306 PHE HE% A 62 MET HGx 1.0 0.0 3.89 1820 1428 B 306 PHE HE% A 62 MET HGy 1.0 0.0 3.89 1821 1429 A 64 LYS H A 64 LYS HBy 1.0 0.0 3.52 1822 1429 A 64 LYS H A 64 LYS HBx 1.0 0.0 3.52 1823 1430 A 64 LYS H A 64 LYS HDx 1.0 0.0 4.35 1824 1430 A 64 LYS H A 64 LYS HDy 1.0 0.0 4.35 1825 1431 A 64 LYS H A 65 ARG HDy 1.0 0.0 4.64 1826 1431 A 64 LYS H A 65 ARG HDx 1.0 0.0 4.64 1827 1432 A 64 LYS HA A 64 LYS HDx 1.0 0.0 3.31 1828 1432 A 64 LYS HA A 64 LYS HDy 1.0 0.0 3.31 1829 1433 A 64 LYS HBx A 64 LYS HE2 1.0 0.0 4.37 1830 1433 A 64 LYS HBy A 64 LYS HE2 1.0 0.0 4.37 1831 1433 A 64 LYS HE3 A 64 LYS HBy 1.0 0.0 4.37 1832 1433 A 64 LYS HE3 A 64 LYS HBx 1.0 0.0 4.37 1833 1434 A 66 LEU H A 64 LYS HBy 1.0 0.0 4.88 1834 1434 A 66 LEU H A 64 LYS HBx 1.0 0.0 4.88 1835 1435 A 64 LYS HBx A 66 LEU HD1% 1.0 0.0 3.70 1836 1435 A 64 LYS HBy A 66 LEU HD1% 1.0 0.0 3.70 1837 1435 A 66 LEU HD21 A 64 LYS HBy 1.0 0.0 3.70 1838 1435 A 66 LEU HD21 A 64 LYS HBx 1.0 0.0 3.70 1839 1436 A 64 LYS HDx A 66 LEU HD1% 1.0 0.0 4.20 1840 1436 A 64 LYS HDy A 66 LEU HD1% 1.0 0.0 4.20 1841 1436 A 66 LEU HD21 A 64 LYS HDx 1.0 0.0 4.20 1842 1436 A 66 LEU HD21 A 64 LYS HDy 1.0 0.0 4.20 1843 1437 A 64 LYS HE3 A 66 LEU HD1% 1.0 0.0 4.96 1844 1437 A 64 LYS HE2 A 66 LEU HD1% 1.0 0.0 4.96 1845 1437 A 66 LEU HD21 A 64 LYS HE2 1.0 0.0 4.96 1846 1437 A 64 LYS HE3 A 66 LEU HD21 1.0 0.0 4.96 1847 1438 A 65 ARG H A 65 ARG HDy 1.0 0.0 4.07 1848 1438 A 65 ARG H A 65 ARG HDx 1.0 0.0 4.07 1849 1439 A 66 LEU H A 66 LEU HD1% 1.0 0.0 3.57 1850 1439 A 66 LEU H A 66 LEU HD21 1.0 0.0 3.57 1851 1440 A 66 LEU H A 75 VAL HGy% 1.0 0.0 4.73 1852 1440 A 66 LEU H A 75 VAL HGx% 1.0 0.0 4.73 1853 1441 A 66 LEU HA A 66 LEU HD1% 1.0 0.0 3.84 1854 1441 A 66 LEU HD21 A 66 LEU HA 1.0 0.0 3.84 1855 1442 A 66 LEU HBy A 82 LEU HDy% 1.0 0.0 3.70 1856 1442 A 66 LEU HBy A 82 LEU HDx% 1.0 0.0 3.70 1857 1443 A 66 LEU HBx A 75 VAL HGy% 1.0 0.0 4.96 1858 1443 A 66 LEU HBx A 75 VAL HGx% 1.0 0.0 4.96 1859 1444 A 66 LEU HBx A 82 LEU HDy% 1.0 0.0 4.20 1860 1444 A 66 LEU HBx A 82 LEU HDx% 1.0 0.0 4.20 1861 1445 A 66 LEU HD21 A 75 VAL HGy% 1.0 0.0 4.91 1862 1445 A 66 LEU HD1% A 75 VAL HGy% 1.0 0.0 4.91 1863 1445 A 75 VAL HGx% A 66 LEU HD1% 1.0 0.0 4.91 1864 1445 A 66 LEU HD21 A 75 VAL HGx% 1.0 0.0 4.91 1865 1446 A 67 TYR H A 75 VAL HGy% 1.0 0.0 4.51 1866 1446 A 67 TYR H A 75 VAL HGx% 1.0 0.0 4.51 1867 1447 A 67 TYR HA A 75 VAL HGy% 1.0 0.0 4.29 1868 1447 A 67 TYR HA A 75 VAL HGx% 1.0 0.0 4.29 1869 1448 A 68 ASP H A 67 TYR HBx 1.0 0.0 3.67 1870 1448 A 68 ASP H A 67 TYR HBy 1.0 0.0 3.67 1871 1449 A 67 TYR HBy A 75 VAL HGy% 1.0 0.0 4.39 1872 1449 A 67 TYR HBx A 75 VAL HGy% 1.0 0.0 4.39 1873 1449 A 75 VAL HGx% A 67 TYR HBx 1.0 0.0 4.39 1874 1449 A 75 VAL HGx% A 67 TYR HBy 1.0 0.0 4.39 1875 1450 A 67 TYR HD% A 75 VAL HGy% 1.0 0.0 4.96 1876 1450 A 67 TYR HD% A 75 VAL HGx% 1.0 0.0 4.96 1877 1451 A 68 ASP H A 75 VAL HGy% 1.0 0.0 4.09 1878 1451 A 68 ASP H A 75 VAL HGx% 1.0 0.0 4.09 1879 1452 A 69 GLU H A 69 GLU HBy 1.0 0.0 3.02 1880 1452 A 69 GLU H A 69 GLU HBx 1.0 0.0 3.02 1881 1453 A 69 GLU H A 70 LYS HGx 1.0 0.0 3.97 1882 1453 A 69 GLU H A 70 LYS HGy 1.0 0.0 3.97 1883 1454 A 70 LYS H A 69 GLU HBy 1.0 0.0 3.81 1884 1454 A 70 LYS H A 69 GLU HBx 1.0 0.0 3.81 1885 1455 A 69 GLU HG3 A 70 LYS HGx 1.0 0.0 3.95 1886 1455 A 69 GLU HG2 A 70 LYS HGx 1.0 0.0 3.95 1887 1455 A 70 LYS HGy A 69 GLU HG2 1.0 0.0 3.95 1888 1455 A 69 GLU HG3 A 70 LYS HGy 1.0 0.0 3.95 1889 1456 A 70 LYS H A 70 LYS HGx 1.0 0.0 3.09 1890 1456 A 70 LYS H A 70 LYS HGy 1.0 0.0 3.09 1891 1457 A 70 LYS HA A 70 LYS HGx 1.0 0.0 3.46 1892 1457 A 70 LYS HA A 70 LYS HGy 1.0 0.0 3.46 1893 1458 A 70 LYS HB2 A 70 LYS HGx 1.0 0.0 2.51 1894 1458 A 70 LYS HB2 A 70 LYS HGy 1.0 0.0 2.51 1895 1459 A 70 LYS HD2 A 70 LYS HGx 1.0 0.0 2.37 1896 1459 A 70 LYS HD3 A 70 LYS HGx 1.0 0.0 2.37 1897 1459 A 70 LYS HGy A 70 LYS HD2 1.0 0.0 2.37 1898 1459 A 70 LYS HD3 A 70 LYS HGy 1.0 0.0 2.37 1899 1460 A 70 LYS HE2 A 70 LYS HGx 1.0 0.0 3.09 1900 1460 A 70 LYS HE3 A 70 LYS HGx 1.0 0.0 3.09 1901 1460 A 70 LYS HGy A 70 LYS HE2 1.0 0.0 3.09 1902 1460 A 70 LYS HE3 A 70 LYS HGy 1.0 0.0 3.09 1903 1461 A 71 GLN H A 70 LYS HGx 1.0 0.0 3.75 1904 1461 A 71 GLN H A 70 LYS HGy 1.0 0.0 3.75 1905 1462 A 71 GLN H A 71 GLN HBx 1.0 0.0 3.34 1906 1462 A 71 GLN H A 71 GLN HBy 1.0 0.0 3.34 1907 1463 A 71 GLN HA A 72 GLN HGy 1.0 0.0 4.88 1908 1463 A 71 GLN HA A 72 GLN HGx 1.0 0.0 4.88 1909 1464 A 74 ILE H A 71 GLN HBx 1.0 0.0 4.32 1910 1464 A 74 ILE H A 71 GLN HBy 1.0 0.0 4.32 1911 1465 A 74 ILE HG2% A 71 GLN HBx 1.0 0.0 3.82 1912 1465 A 74 ILE HG2% A 71 GLN HBy 1.0 0.0 3.82 1913 1466 A 71 GLN HBx A 74 ILE HG1x 1.0 0.0 3.80 1914 1466 A 71 GLN HBy A 74 ILE HG1x 1.0 0.0 3.80 1915 1466 A 74 ILE HG1y A 71 GLN HBx 1.0 0.0 3.80 1916 1466 A 71 GLN HBy A 74 ILE HG1y 1.0 0.0 3.80 1917 1467 A 71 GLN HG3 A 74 ILE HG1x 1.0 0.0 3.85 1918 1467 A 71 GLN HG2 A 74 ILE HG1x 1.0 0.0 3.85 1919 1467 A 74 ILE HG1y A 71 GLN HG2 1.0 0.0 3.85 1920 1467 A 71 GLN HG3 A 74 ILE HG1y 1.0 0.0 3.85 1921 1468 A 72 GLN H A 72 GLN HBy 1.0 0.0 3.47 1922 1468 A 72 GLN H A 72 GLN HBx 1.0 0.0 3.47 1923 1469 A 72 GLN H A 72 GLN HGy 1.0 0.0 3.40 1924 1469 A 72 GLN H A 72 GLN HGx 1.0 0.0 3.40 1925 1470 A 73 HIS H A 72 GLN HBy 1.0 0.0 3.82 1926 1470 A 73 HIS H A 72 GLN HBx 1.0 0.0 3.82 1927 1471 B 306 PHE H A 72 GLN HBy 1.0 0.0 3.66 1928 1471 B 306 PHE H A 72 GLN HBx 1.0 0.0 3.66 1929 1472 A 73 HIS H A 72 GLN HGy 1.0 0.0 4.88 1930 1472 A 73 HIS H A 72 GLN HGx 1.0 0.0 4.88 1931 1473 B 306 PHE H A 72 GLN HGy 1.0 0.0 4.33 1932 1473 B 306 PHE H A 72 GLN HGx 1.0 0.0 4.33 1933 1474 A 73 HIS H A 73 HIS HBx 1.0 0.0 3.35 1934 1474 A 73 HIS H A 73 HIS HBy 1.0 0.0 3.35 1935 1475 A 73 HIS H A 93 VAL HGy% 1.0 0.0 4.36 1936 1475 A 73 HIS H A 93 VAL HGx% 1.0 0.0 4.36 1937 1476 A 73 HIS H B 309 LEU HDy% 1.0 0.0 4.01 1938 1476 A 73 HIS H B 309 LEU HDx% 1.0 0.0 4.01 1939 1477 A 73 HIS HA A 94 LYS HEy 1.0 0.0 4.38 1940 1477 A 73 HIS HA A 94 LYS HEx 1.0 0.0 4.38 1941 1478 A 73 HIS HA B 309 LEU HDy% 1.0 0.0 3.88 1942 1478 A 73 HIS HA B 309 LEU HDx% 1.0 0.0 3.88 1943 1479 A 74 ILE H A 73 HIS HBx 1.0 0.0 4.43 1944 1479 A 74 ILE H A 73 HIS HBy 1.0 0.0 4.43 1945 1480 A 93 VAL HB A 73 HIS HBx 1.0 0.0 4.88 1946 1480 A 93 VAL HB A 73 HIS HBy 1.0 0.0 4.88 1947 1481 A 73 HIS HBy A 93 VAL HGy% 1.0 0.0 4.01 1948 1481 A 73 HIS HBx A 93 VAL HGy% 1.0 0.0 4.01 1949 1481 A 93 VAL HGx% A 73 HIS HBx 1.0 0.0 4.01 1950 1481 A 73 HIS HBy A 93 VAL HGx% 1.0 0.0 4.01 1951 1482 A 94 LYS H A 73 HIS HBx 1.0 0.0 4.25 1952 1482 A 94 LYS H A 73 HIS HBy 1.0 0.0 4.25 1953 1483 A 73 HIS HBx A 94 LYS HEy 1.0 0.0 3.71 1954 1483 A 73 HIS HBy A 94 LYS HEy 1.0 0.0 3.71 1955 1483 A 94 LYS HEx A 73 HIS HBx 1.0 0.0 3.71 1956 1483 A 73 HIS HBy A 94 LYS HEx 1.0 0.0 3.71 1957 1484 A 73 HIS HBx B 309 LEU HDy% 1.0 0.0 3.54 1958 1484 A 73 HIS HBy B 309 LEU HDy% 1.0 0.0 3.54 1959 1484 B 309 LEU HDx% A 73 HIS HBx 1.0 0.0 3.54 1960 1484 A 73 HIS HBy B 309 LEU HDx% 1.0 0.0 3.54 1961 1485 A 74 ILE H A 74 ILE HG1x 1.0 0.0 4.09 1962 1485 A 74 ILE H A 74 ILE HG1y 1.0 0.0 4.09 1963 1486 A 74 ILE HG2% A 74 ILE HG1x 1.0 0.0 2.98 1964 1486 A 74 ILE HG2% A 74 ILE HG1y 1.0 0.0 2.98 1965 1487 A 74 ILE HG2% A 90 SER HBx 1.0 0.0 4.19 1966 1487 A 74 ILE HG2% A 90 SER HBy 1.0 0.0 4.19 1967 1488 A 74 ILE HD1% A 92 SER HBy 1.0 0.0 4.88 1968 1488 A 74 ILE HD1% A 92 SER HBx 1.0 0.0 4.88 1969 1489 A 75 VAL H A 75 VAL HGy% 1.0 0.0 3.66 1970 1489 A 75 VAL H A 75 VAL HGx% 1.0 0.0 3.66 1971 1490 A 75 VAL HB A 82 LEU HDy% 1.0 0.0 4.60 1972 1490 A 75 VAL HB A 82 LEU HDx% 1.0 0.0 4.60 1973 1491 A 75 VAL HB A 93 VAL HGy% 1.0 0.0 4.92 1974 1491 A 75 VAL HB A 93 VAL HGx% 1.0 0.0 4.92 1975 1492 A 76 TYR H A 75 VAL HGy% 1.0 0.0 3.33 1976 1492 A 76 TYR H A 75 VAL HGx% 1.0 0.0 3.33 1977 1493 A 75 VAL HGy% A 76 TYR HBx 1.0 0.0 4.83 1978 1493 A 75 VAL HGx% A 76 TYR HBx 1.0 0.0 4.83 1979 1493 A 76 TYR HBy A 75 VAL HGy% 1.0 0.0 4.83 1980 1493 A 75 VAL HGx% A 76 TYR HBy 1.0 0.0 4.83 1981 1494 A 76 TYR HD% A 75 VAL HGy% 1.0 0.0 4.96 1982 1494 A 76 TYR HD% A 75 VAL HGx% 1.0 0.0 4.96 1983 1495 A 77 CYS H A 75 VAL HGy% 1.0 0.0 4.46 1984 1495 A 77 CYS H A 75 VAL HGx% 1.0 0.0 4.46 1985 1496 A 75 VAL HGx% A 77 CYS HBx 1.0 0.0 4.36 1986 1496 A 75 VAL HGy% A 77 CYS HBx 1.0 0.0 4.36 1987 1496 A 77 CYS HBy A 75 VAL HGy% 1.0 0.0 4.36 1988 1496 A 75 VAL HGx% A 77 CYS HBy 1.0 0.0 4.36 1989 1497 A 75 VAL HGx% A 82 LEU HDy% 1.0 0.0 3.11 1990 1497 A 75 VAL HGy% A 82 LEU HDy% 1.0 0.0 3.11 1991 1497 A 82 LEU HDx% A 75 VAL HGy% 1.0 0.0 3.11 1992 1497 A 75 VAL HGx% A 82 LEU HDx% 1.0 0.0 3.11 1993 1498 A 91 PHE H A 75 VAL HGy% 1.0 0.0 4.24 1994 1498 A 91 PHE H A 75 VAL HGx% 1.0 0.0 4.24 1995 1499 A 91 PHE HD% A 75 VAL HGy% 1.0 0.0 3.31 1996 1499 A 91 PHE HD% A 75 VAL HGx% 1.0 0.0 3.31 1997 1500 A 91 PHE HE% A 75 VAL HGy% 1.0 0.0 3.63 1998 1500 A 91 PHE HE% A 75 VAL HGx% 1.0 0.0 3.63 1999 1501 A 75 VAL HGx% A 93 VAL HGy% 1.0 0.0 3.63 2000 1501 A 75 VAL HGy% A 93 VAL HGy% 1.0 0.0 3.63 2001 1501 A 93 VAL HGx% A 75 VAL HGy% 1.0 0.0 3.63 2002 1501 A 75 VAL HGx% A 93 VAL HGx% 1.0 0.0 3.63 2003 1502 B 306 PHE HE% A 75 VAL HGy% 1.0 0.0 4.11 2004 1502 B 306 PHE HE% A 75 VAL HGx% 1.0 0.0 4.11 2005 1503 A 76 TYR HA A 90 SER HBx 1.0 0.0 3.93 2006 1503 A 76 TYR HA A 90 SER HBy 1.0 0.0 3.93 2007 1504 A 78 SER H A 76 TYR HBx 1.0 0.0 3.72 2008 1504 A 78 SER H A 76 TYR HBy 1.0 0.0 3.72 2009 1505 A 76 TYR HD% A 90 SER HBx 1.0 0.0 3.41 2010 1505 A 76 TYR HD% A 90 SER HBy 1.0 0.0 3.41 2011 1506 A 77 CYS HBx A 82 LEU HDy% 1.0 0.0 3.21 2012 1506 A 77 CYS HBy A 82 LEU HDy% 1.0 0.0 3.21 2013 1506 A 82 LEU HDx% A 77 CYS HBx 1.0 0.0 3.21 2014 1506 A 82 LEU HDx% A 77 CYS HBy 1.0 0.0 3.21 2015 1507 A 83 GLY H A 77 CYS HBx 1.0 0.0 4.02 2016 1507 A 83 GLY H A 77 CYS HBy 1.0 0.0 4.02 2017 1508 A 79 ASN HA A 79 ASN HBx 1.0 0.0 2.64 2018 1508 A 79 ASN HA A 79 ASN HBy 1.0 0.0 2.64 2019 1509 A 79 ASN HA A 79 ASN HD2y 1.0 0.0 3.81 2020 1509 A 79 ASN HA A 79 ASN HD2x 1.0 0.0 3.81 2021 1510 A 79 ASN HD2x A 79 ASN HBx 1.0 0.0 2.97 2022 1510 A 79 ASN HD2y A 79 ASN HBy 1.0 0.0 2.97 2023 1510 A 79 ASN HD2y A 79 ASN HBx 1.0 0.0 2.97 2024 1510 A 79 ASN HD2x A 79 ASN HBy 1.0 0.0 2.97 2025 1511 A 80 ASP H A 79 ASN HBx 1.0 0.0 3.96 2026 1511 A 80 ASP H A 79 ASN HBy 1.0 0.0 3.96 2027 1512 A 80 ASP HB3 A 82 LEU HDy% 1.0 0.0 4.37 2028 1512 A 80 ASP HB2 A 82 LEU HDy% 1.0 0.0 4.37 2029 1512 A 82 LEU HDx% A 80 ASP HB2 1.0 0.0 4.37 2030 1512 A 80 ASP HB3 A 82 LEU HDx% 1.0 0.0 4.37 2031 1513 A 81 LEU HA A 81 LEU HDy% 1.0 0.0 2.74 2032 1513 A 81 LEU HA A 81 LEU HDx% 1.0 0.0 2.74 2033 1514 A 81 LEU HA A 84 ASP HBx 1.0 0.0 3.37 2034 1514 A 81 LEU HA A 84 ASP HBy 1.0 0.0 3.37 2035 1515 A 81 LEU HB3 A 81 LEU HDy% 1.0 0.0 2.36 2036 1515 A 81 LEU HB2 A 81 LEU HDy% 1.0 0.0 2.36 2037 1515 A 81 LEU HDx% A 81 LEU HB2 1.0 0.0 2.36 2038 1515 A 81 LEU HB3 A 81 LEU HDx% 1.0 0.0 2.36 2039 1516 A 82 LEU H A 81 LEU HDy% 1.0 0.0 4.92 2040 1516 A 82 LEU H A 81 LEU HDx% 1.0 0.0 4.92 2041 1517 A 82 LEU HA A 81 LEU HDy% 1.0 0.0 4.96 2042 1517 A 82 LEU HA A 81 LEU HDx% 1.0 0.0 4.96 2043 1518 A 83 GLY H A 81 LEU HDy% 1.0 0.0 4.96 2044 1518 A 83 GLY H A 81 LEU HDx% 1.0 0.0 4.96 2045 1519 A 84 ASP H A 81 LEU HDy% 1.0 0.0 4.19 2046 1519 A 84 ASP H A 81 LEU HDx% 1.0 0.0 4.19 2047 1520 A 81 LEU HDy% A 84 ASP HBx 1.0 0.0 3.25 2048 1520 A 81 LEU HDx% A 84 ASP HBx 1.0 0.0 3.25 2049 1520 A 84 ASP HBy A 81 LEU HDy% 1.0 0.0 3.25 2050 1520 A 81 LEU HDx% A 84 ASP HBy 1.0 0.0 3.25 2051 1521 A 85 LEU H A 81 LEU HDy% 1.0 0.0 3.30 2052 1521 A 85 LEU H A 81 LEU HDx% 1.0 0.0 3.30 2053 1522 A 85 LEU HA A 81 LEU HDy% 1.0 0.0 4.72 2054 1522 A 85 LEU HA A 81 LEU HDx% 1.0 0.0 4.72 2055 1523 A 81 LEU HDx% A 85 LEU HDy% 1.0 0.0 3.30 2056 1523 A 81 LEU HDy% A 85 LEU HDy% 1.0 0.0 3.30 2057 1523 A 85 LEU HDx% A 81 LEU HDy% 1.0 0.0 3.30 2058 1523 A 85 LEU HDx% A 81 LEU HDx% 1.0 0.0 3.30 2059 1524 A 82 LEU H A 82 LEU HB2 1.0 0.0 3.51 2060 1524 A 82 LEU H A 82 LEU HBy 1.0 0.0 3.51 2061 1525 A 82 LEU H A 82 LEU HDy% 1.0 0.0 3.86 2062 1525 A 82 LEU H A 82 LEU HDx% 1.0 0.0 3.86 2063 1526 A 82 LEU H A 85 LEU HDy% 1.0 0.0 4.96 2064 1526 A 82 LEU H A 85 LEU HDx% 1.0 0.0 4.96 2065 1527 A 82 LEU HA A 82 LEU HDy% 1.0 0.0 3.53 2066 1527 A 82 LEU HA A 82 LEU HDx% 1.0 0.0 3.53 2067 1528 A 82 LEU HA A 85 LEU HDy% 1.0 0.0 3.88 2068 1528 A 82 LEU HA A 85 LEU HDx% 1.0 0.0 3.88 2069 1529 A 83 GLY H A 82 LEU HB2 1.0 0.0 4.21 2070 1529 A 83 GLY H A 82 LEU HBy 1.0 0.0 4.21 2071 1530 A 83 GLY H A 82 LEU HDy% 1.0 0.0 3.93 2072 1530 A 83 GLY H A 82 LEU HDx% 1.0 0.0 3.93 2073 1531 A 84 ASP H A 82 LEU HDy% 1.0 0.0 4.96 2074 1531 A 84 ASP H A 82 LEU HDx% 1.0 0.0 4.96 2075 1532 A 82 LEU HDy% A 85 LEU HDy% 1.0 0.0 4.67 2076 1532 A 82 LEU HDx% A 85 LEU HDy% 1.0 0.0 4.67 2077 1532 A 85 LEU HDx% A 82 LEU HDy% 1.0 0.0 4.67 2078 1532 A 85 LEU HDx% A 82 LEU HDx% 1.0 0.0 4.67 2079 1533 A 86 PHE H A 82 LEU HDy% 1.0 0.0 4.41 2080 1533 A 86 PHE H A 82 LEU HDx% 1.0 0.0 4.41 2081 1534 A 91 PHE HD% A 82 LEU HDy% 1.0 0.0 3.98 2082 1534 A 91 PHE HD% A 82 LEU HDx% 1.0 0.0 3.98 2083 1535 A 85 LEU H A 85 LEU HDy% 1.0 0.0 3.53 2084 1535 A 85 LEU H A 85 LEU HDx% 1.0 0.0 3.53 2085 1536 A 85 LEU HA A 85 LEU HDy% 1.0 0.0 3.07 2086 1536 A 85 LEU HA A 85 LEU HDx% 1.0 0.0 3.07 2087 1537 A 85 LEU HBy A 85 LEU HDy% 1.0 0.0 2.69 2088 1537 A 85 LEU HBy A 85 LEU HDx% 1.0 0.0 2.69 2089 1538 A 87 GLY H A 85 LEU HDy% 1.0 0.0 4.96 2090 1538 A 87 GLY H A 85 LEU HDx% 1.0 0.0 4.96 2091 1539 A 106 ASN HD2y A 85 LEU HDy% 1.0 0.0 4.63 2092 1539 A 106 ASN HD2y A 85 LEU HDx% 1.0 0.0 4.63 2093 1540 A 106 ASN HD2x A 85 LEU HDy% 1.0 0.0 4.01 2094 1540 A 106 ASN HD2x A 85 LEU HDx% 1.0 0.0 4.01 2095 1541 A 88 VAL H A 87 GLY HA2 1.0 0.0 3.00 2096 1541 A 88 VAL H A 87 GLY HA3 1.0 0.0 3.00 2097 1542 A 90 SER H A 89 PRO HBy 1.0 0.0 4.04 2098 1542 A 90 SER H A 89 PRO HBx 1.0 0.0 4.04 2099 1543 A 91 PHE H A 90 SER HBx 1.0 0.0 3.35 2100 1543 A 91 PHE H A 90 SER HBy 1.0 0.0 3.35 2101 1544 A 92 SER H A 91 PHE HBx 1.0 0.0 3.67 2102 1544 A 92 SER H A 91 PHE HBy 1.0 0.0 3.67 2103 1545 A 102 MET HE% A 91 PHE HBx 1.0 0.0 3.90 2104 1545 A 102 MET HE% A 91 PHE HBy 1.0 0.0 3.90 2105 1546 A 91 PHE HE% A 93 VAL HGy% 1.0 0.0 4.55 2106 1546 A 91 PHE HE% A 93 VAL HGx% 1.0 0.0 4.55 2107 1547 A 92 SER HA A 93 VAL HGy% 1.0 0.0 4.28 2108 1547 A 92 SER HA A 93 VAL HGx% 1.0 0.0 4.28 2109 1548 A 94 LYS H A 92 SER HBy 1.0 0.0 4.73 2110 1548 A 94 LYS H A 92 SER HBx 1.0 0.0 4.73 2111 1549 A 95 GLU H A 92 SER HBy 1.0 0.0 4.49 2112 1549 A 95 GLU H A 92 SER HBx 1.0 0.0 4.49 2113 1550 A 93 VAL H B 309 LEU HDy% 1.0 0.0 4.96 2114 1550 A 93 VAL H B 309 LEU HDx% 1.0 0.0 4.96 2115 1551 A 93 VAL HA A 93 VAL HGy% 1.0 0.0 3.14 2116 1551 A 93 VAL HA A 93 VAL HGx% 1.0 0.0 3.14 2117 1552 A 94 LYS H A 93 VAL HGy% 1.0 0.0 3.76 2118 1552 A 94 LYS H A 93 VAL HGx% 1.0 0.0 3.76 2119 1553 A 93 VAL HGx% A 94 LYS HBy 1.0 0.0 4.48 2120 1553 A 93 VAL HGy% A 94 LYS HBy 1.0 0.0 4.48 2121 1553 A 94 LYS HBx A 93 VAL HGy% 1.0 0.0 4.48 2122 1553 A 93 VAL HGx% A 94 LYS HBx 1.0 0.0 4.48 2123 1554 A 93 VAL HGx% A 94 LYS HEy 1.0 0.0 3.53 2124 1554 A 93 VAL HGy% A 94 LYS HEy 1.0 0.0 3.53 2125 1554 A 94 LYS HEx A 93 VAL HGy% 1.0 0.0 3.53 2126 1554 A 93 VAL HGx% A 94 LYS HEx 1.0 0.0 3.53 2127 1555 A 95 GLU H A 93 VAL HGy% 1.0 0.0 4.92 2128 1555 A 95 GLU H A 93 VAL HGx% 1.0 0.0 4.92 2129 1556 A 99 ILE HD1% A 93 VAL HGy% 1.0 0.0 3.27 2130 1556 A 99 ILE HD1% A 93 VAL HGx% 1.0 0.0 3.27 2131 1557 B 306 PHE HE% A 93 VAL HGy% 1.0 0.0 3.36 2132 1557 B 306 PHE HE% A 93 VAL HGx% 1.0 0.0 3.36 2133 1558 A 93 VAL HGx% B 309 LEU HDy% 1.0 0.0 3.41 2134 1558 A 93 VAL HGy% B 309 LEU HDy% 1.0 0.0 3.41 2135 1558 B 309 LEU HDx% A 93 VAL HGy% 1.0 0.0 3.41 2136 1558 A 93 VAL HGx% B 309 LEU HDx% 1.0 0.0 3.41 2137 1559 B 310 TRP HE3 A 93 VAL HGy% 1.0 0.0 3.43 2138 1559 B 310 TRP HE3 A 93 VAL HGx% 1.0 0.0 3.43 2139 1560 A 94 LYS H A 94 LYS HBy 1.0 0.0 3.56 2140 1560 A 94 LYS H A 94 LYS HBx 1.0 0.0 3.56 2141 1561 A 94 LYS H A 94 LYS HGx 1.0 0.0 4.14 2142 1561 A 94 LYS H A 94 LYS HGy 1.0 0.0 4.14 2143 1562 A 94 LYS HA A 94 LYS HGx 1.0 0.0 3.49 2144 1562 A 94 LYS HA A 94 LYS HGy 1.0 0.0 3.49 2145 1563 A 94 LYS HA A 94 LYS HDx 1.0 0.0 3.60 2146 1563 A 94 LYS HA A 94 LYS HDy 1.0 0.0 3.60 2147 1564 A 94 LYS HA A 94 LYS HEy 1.0 0.0 4.31 2148 1564 A 94 LYS HA A 94 LYS HEx 1.0 0.0 4.31 2149 1565 A 94 LYS HBx A 94 LYS HDx 1.0 0.0 3.28 2150 1565 A 94 LYS HBy A 94 LYS HDx 1.0 0.0 3.28 2151 1565 A 94 LYS HDy A 94 LYS HBy 1.0 0.0 3.28 2152 1565 A 94 LYS HBx A 94 LYS HDy 1.0 0.0 3.28 2153 1566 A 95 GLU H A 94 LYS HBy 1.0 0.0 3.72 2154 1566 A 95 GLU H A 94 LYS HBx 1.0 0.0 3.72 2155 1567 A 94 LYS HEx A 94 LYS HGx 1.0 0.0 3.29 2156 1567 A 94 LYS HGy A 94 LYS HEy 1.0 0.0 3.29 2157 1567 A 94 LYS HEx A 94 LYS HGy 1.0 0.0 3.29 2158 1567 A 94 LYS HEy A 94 LYS HGx 1.0 0.0 3.29 2159 1568 A 95 GLU H A 94 LYS HGx 1.0 0.0 4.88 2160 1568 A 95 GLU H A 94 LYS HGy 1.0 0.0 4.88 2161 1569 A 95 GLU H A 94 LYS HDx 1.0 0.0 4.88 2162 1569 A 95 GLU H A 94 LYS HDy 1.0 0.0 4.88 2163 1570 A 94 LYS HEx B 309 LEU HDy% 1.0 0.0 3.85 2164 1570 B 309 LEU HDx% A 94 LYS HEy 1.0 0.0 3.85 2165 1570 B 309 LEU HDx% A 94 LYS HEx 1.0 0.0 3.85 2166 1570 A 94 LYS HEy B 309 LEU HDy% 1.0 0.0 3.85 2167 1571 A 95 GLU H A 95 GLU HBy 1.0 0.0 3.44 2168 1571 A 95 GLU H A 95 GLU HBx 1.0 0.0 3.44 2169 1572 A 95 GLU H A 95 GLU HGx 1.0 0.0 3.43 2170 1572 A 95 GLU H A 95 GLU HGy 1.0 0.0 3.43 2171 1573 A 95 GLU HA A 95 GLU HGx 1.0 0.0 3.66 2172 1573 A 95 GLU HA A 95 GLU HGy 1.0 0.0 3.66 2173 1574 A 96 HIS H A 95 GLU HBy 1.0 0.0 3.29 2174 1574 A 96 HIS H A 95 GLU HBx 1.0 0.0 3.29 2175 1575 A 98 LYS H A 95 GLU HBy 1.0 0.0 3.55 2176 1575 A 98 LYS H A 95 GLU HBx 1.0 0.0 3.55 2177 1576 A 95 GLU HBy A 98 LYS HGx 1.0 0.0 4.27 2178 1576 A 95 GLU HBx A 98 LYS HGx 1.0 0.0 4.27 2179 1576 A 98 LYS HGy A 95 GLU HBy 1.0 0.0 4.27 2180 1576 A 95 GLU HBx A 98 LYS HGy 1.0 0.0 4.27 2181 1577 A 96 HIS H A 95 GLU HGx 1.0 0.0 4.88 2182 1577 A 96 HIS H A 95 GLU HGy 1.0 0.0 4.88 2183 1578 A 95 GLU HGy A 98 LYS HGx 1.0 0.0 4.75 2184 1578 A 95 GLU HGx A 98 LYS HGx 1.0 0.0 4.75 2185 1578 A 98 LYS HGy A 95 GLU HGx 1.0 0.0 4.75 2186 1578 A 95 GLU HGy A 98 LYS HGy 1.0 0.0 4.75 2187 1579 A 98 LYS H A 98 LYS HGx 1.0 0.0 3.81 2188 1579 A 98 LYS H A 98 LYS HGy 1.0 0.0 3.81 2189 1580 A 98 LYS HA A 98 LYS HGx 1.0 0.0 3.02 2190 1580 A 98 LYS HA A 98 LYS HGy 1.0 0.0 3.02 2191 1581 A 98 LYS HE2 A 98 LYS HGx 1.0 0.0 2.72 2192 1581 A 98 LYS HE3 A 98 LYS HGx 1.0 0.0 2.72 2193 1581 A 98 LYS HGy A 98 LYS HE2 1.0 0.0 2.72 2194 1581 A 98 LYS HE3 A 98 LYS HGy 1.0 0.0 2.72 2195 1582 A 99 ILE H A 98 LYS HGx 1.0 0.0 4.88 2196 1582 A 99 ILE H A 98 LYS HGy 1.0 0.0 4.88 2197 1583 A 102 MET HE% A 98 LYS HGx 1.0 0.0 4.37 2198 1583 A 102 MET HE% A 98 LYS HGy 1.0 0.0 4.37 2199 1584 A 99 ILE HB B 313 LEU HDy% 1.0 0.0 3.60 2200 1584 A 99 ILE HB B 313 LEU HDx% 1.0 0.0 3.60 2201 1585 A 99 ILE HG2% B 313 LEU HDy% 1.0 0.0 3.35 2202 1585 A 99 ILE HG2% B 313 LEU HDx% 1.0 0.0 3.35 2203 1586 A 99 ILE HG1x B 313 LEU HDy% 1.0 0.0 3.95 2204 1586 A 99 ILE HG1x B 313 LEU HDx% 1.0 0.0 3.95 2205 1587 A 100 TYR H B 313 LEU HDy% 1.0 0.0 4.93 2206 1587 A 100 TYR H B 313 LEU HDx% 1.0 0.0 4.93 2207 1588 A 100 TYR HD% B 313 LEU HDy% 1.0 0.0 4.79 2208 1588 A 100 TYR HD% B 313 LEU HDx% 1.0 0.0 4.79 2209 1589 A 100 TYR HE% B 313 LEU HDy% 1.0 0.0 4.01 2210 1589 A 100 TYR HE% B 313 LEU HDx% 1.0 0.0 4.01 2211 1590 A 101 THR H A 104 TYR HBx 1.0 0.0 4.88 2212 1590 A 101 THR H A 104 TYR HBy 1.0 0.0 4.88 2213 1591 A 101 THR HA A 104 TYR HBx 1.0 0.0 3.71 2214 1591 A 101 THR HA A 104 TYR HBy 1.0 0.0 3.71 2215 1592 A 101 THR HG2% A 104 TYR HBx 1.0 0.0 4.88 2216 1592 A 101 THR HG2% A 104 TYR HBy 1.0 0.0 4.88 2217 1593 A 103 ILE H A 104 TYR HBx 1.0 0.0 4.88 2218 1593 A 103 ILE H A 104 TYR HBy 1.0 0.0 4.88 2219 1594 A 104 TYR H A 104 TYR HBx 1.0 0.0 3.00 2220 1594 A 104 TYR H A 104 TYR HBy 1.0 0.0 3.00 2221 1595 A 105 ARG H A 104 TYR HBx 1.0 0.0 3.53 2222 1595 A 105 ARG H A 104 TYR HBy 1.0 0.0 3.53 2223 1596 A 107 LEU HDx% A 104 TYR HBx 1.0 0.0 4.88 2224 1596 A 107 LEU HDx% A 104 TYR HBy 1.0 0.0 4.88 2225 1597 A 107 LEU HBy A 109 VAL HGy% 1.0 0.0 4.96 2226 1597 A 107 LEU HBy A 109 VAL HGx% 1.0 0.0 4.96 2227 1598 A 107 LEU HBx A 109 VAL HGy% 1.0 0.0 4.96 2228 1598 A 107 LEU HBx A 109 VAL HGx% 1.0 0.0 4.96 2229 1599 A 108 VAL H A 108 VAL HG1% 1.0 0.0 3.11 2230 1599 A 108 VAL H A 108 VAL HG21 1.0 0.0 3.11 2231 1600 A 109 VAL H A 109 VAL HGy% 1.0 0.0 3.06 2232 1600 A 109 VAL H A 109 VAL HGx% 1.0 0.0 3.06 2233 1601 A 109 VAL HA A 109 VAL HGy% 1.0 0.0 2.51 2234 1601 A 109 VAL HA A 109 VAL HGx% 1.0 0.0 2.51 2235 1602 B 303 GLY H B 302 GLY HAy 1.0 0.0 2.62 2236 1602 B 303 GLY H B 302 GLY HAx 1.0 0.0 2.62 2237 1603 B 304 THR H B 303 GLY HAy 1.0 0.0 3.03 2238 1603 B 304 THR H B 303 GLY HAx 1.0 0.0 3.03 2239 1604 B 304 THR HG2% B 303 GLY HAy 1.0 0.0 4.32 2240 1604 B 304 THR HG2% B 303 GLY HAx 1.0 0.0 4.32 2241 1605 B 306 PHE H B 309 LEU HDy% 1.0 0.0 4.96 2242 1605 B 306 PHE H B 309 LEU HDx% 1.0 0.0 4.96 2243 1606 B 306 PHE HA B 309 LEU HDy% 1.0 0.0 4.43 2244 1606 B 306 PHE HA B 309 LEU HDx% 1.0 0.0 4.43 2245 1607 B 306 PHE HBx B 309 LEU HDy% 1.0 0.0 4.19 2246 1607 B 306 PHE HBy B 309 LEU HDy% 1.0 0.0 4.19 2247 1607 B 309 LEU HDx% B 306 PHE HBy 1.0 0.0 4.19 2248 1607 B 309 LEU HDx% B 306 PHE HBx 1.0 0.0 4.19 2249 1608 B 307 GLU HA B 310 TRP HBy 1.0 0.0 4.54 2250 1608 B 307 GLU HA B 310 TRP HBx 1.0 0.0 4.54 2251 1609 B 308 HIS H B 307 GLU HBy 1.0 0.0 3.47 2252 1609 B 308 HIS H B 307 GLU HBx 1.0 0.0 3.47 2253 1610 B 309 LEU H B 307 GLU HBy 1.0 0.0 4.88 2254 1610 B 309 LEU H B 307 GLU HBx 1.0 0.0 4.88 2255 1611 B 308 HIS H B 307 GLU HGx 1.0 0.0 3.97 2256 1611 B 308 HIS H B 307 GLU HGy 1.0 0.0 3.97 2257 1612 B 308 HIS H B 309 LEU HDy% 1.0 0.0 4.04 2258 1612 B 308 HIS H B 309 LEU HDx% 1.0 0.0 4.04 2259 1613 B 309 LEU H B 309 LEU HDy% 1.0 0.0 3.14 2260 1613 B 309 LEU H B 309 LEU HDx% 1.0 0.0 3.14 2261 1614 B 309 LEU HA B 309 LEU HDy% 1.0 0.0 3.37 2262 1614 B 309 LEU HA B 309 LEU HDx% 1.0 0.0 3.37 2263 1615 B 309 LEU HG B 310 TRP HBy 1.0 0.0 4.74 2264 1615 B 309 LEU HG B 310 TRP HBx 1.0 0.0 4.74 2265 1616 B 310 TRP H B 309 LEU HDy% 1.0 0.0 3.85 2266 1616 B 310 TRP H B 309 LEU HDx% 1.0 0.0 3.85 2267 1617 B 312 SER H B 309 LEU HDy% 1.0 0.0 4.85 2268 1617 B 312 SER H B 309 LEU HDx% 1.0 0.0 4.85 2269 1618 B 310 TRP H B 313 LEU HDy% 1.0 0.0 4.96 2270 1618 B 310 TRP H B 313 LEU HDx% 1.0 0.0 4.96 2271 1619 B 310 TRP HA B 313 LEU HDy% 1.0 0.0 4.19 2272 1619 B 310 TRP HA B 313 LEU HDx% 1.0 0.0 4.19 2273 1620 B 310 TRP HE1 B 310 TRP HBy 1.0 0.0 4.51 2274 1620 B 310 TRP HE1 B 310 TRP HBx 1.0 0.0 4.51 2275 1621 B 310 TRP HE3 B 313 LEU HDy% 1.0 0.0 4.23 2276 1621 B 310 TRP HE3 B 313 LEU HDx% 1.0 0.0 4.23 2277 1622 B 310 TRP HE1 B 313 LEU HDy% 1.0 0.0 4.96 2278 1622 B 310 TRP HE1 B 313 LEU HDx% 1.0 0.0 4.96 2279 1623 B 312 SER H B 313 LEU HDy% 1.0 0.0 4.52 2280 1623 B 312 SER H B 313 LEU HDx% 1.0 0.0 4.52 2281 1624 B 313 LEU H B 313 LEU HDy% 1.0 0.0 3.19 2282 1624 B 313 LEU H B 313 LEU HDx% 1.0 0.0 3.19 2283 1625 B 313 LEU H B 314 GLU HBy 1.0 0.0 4.88 2284 1625 B 313 LEU H B 314 GLU HBx 1.0 0.0 4.88 2285 1626 B 313 LEU HA B 313 LEU HDy% 1.0 0.0 3.44 2286 1626 B 313 LEU HA B 313 LEU HDx% 1.0 0.0 3.44 2287 1627 B 313 LEU HBy B 313 LEU HDy% 1.0 0.0 2.51 2288 1627 B 313 LEU HBy B 313 LEU HDx% 1.0 0.0 2.51 2289 1628 B 314 GLU H B 313 LEU HDy% 1.0 0.0 3.37 2290 1628 B 314 GLU H B 313 LEU HDx% 1.0 0.0 3.37 2291 1629 B 314 GLU HA B 313 LEU HDy% 1.0 0.0 4.65 2292 1629 B 314 GLU HA B 313 LEU HDx% 1.0 0.0 4.65 2293 1630 B 313 LEU HDx% B 314 GLU HG2 1.0 0.0 4.94 2294 1630 B 313 LEU HDy% B 314 GLU HG2 1.0 0.0 4.94 2295 1630 B 314 GLU HG3 B 313 LEU HDy% 1.0 0.0 4.94 2296 1630 B 314 GLU HG3 B 313 LEU HDx% 1.0 0.0 4.94 2297 1631 B 314 GLU H B 314 GLU HBy 1.0 0.0 3.11 2298 1631 B 314 GLU H B 314 GLU HBx 1.0 0.0 3.11 2299 1632 B 314 GLU HA B 315 PRO HGy 1.0 0.0 4.11 2300 1632 B 314 GLU HA B 315 PRO HGx 1.0 0.0 4.11 2301 1633 B 315 PRO HDy B 314 GLU HBy 1.0 0.0 3.28 2302 1633 B 315 PRO HDy B 314 GLU HBx 1.0 0.0 3.28 2303 1634 B 315 PRO HDx B 314 GLU HBy 1.0 0.0 3.54 2304 1634 B 315 PRO HDx B 314 GLU HBx 1.0 0.0 3.54 2305 1635 B 314 GLU HG3 B 315 PRO HGy 1.0 0.0 4.88 2306 1635 B 314 GLU HG2 B 315 PRO HGy 1.0 0.0 4.88 2307 1635 B 315 PRO HGx B 314 GLU HG2 1.0 0.0 4.88 2308 1635 B 314 GLU HG3 B 315 PRO HGx 1.0 0.0 4.88 2309 1636 B 316 ASP H B 315 PRO HGy 1.0 0.0 3.38 2310 1636 B 316 ASP H B 315 PRO HGx 1.0 0.0 3.38 2311 1637 B 316 ASP HA B 315 PRO HGy 1.0 0.0 4.88 2312 1637 B 316 ASP HA B 315 PRO HGx 1.0 0.0 4.88 2313 1638 B 316 ASP H B 316 ASP HBx 1.0 0.0 3.04 2314 1638 B 316 ASP H B 316 ASP HBy 1.0 0.0 3.04 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 35 LEU H A 31 LYS O 1.0 0.0 2.4 2 2 A 31 LYS O A 35 LEU N 1.0 0.0 3.4 3 3 A 36 LYS H A 32 PRO O 1.0 0.0 2.4 4 4 A 32 PRO O A 36 LYS N 1.0 0.0 3.4 5 5 A 37 LEU H A 33 LEU O 1.0 0.0 2.4 6 6 A 33 LEU O A 37 LEU N 1.0 0.0 3.4 7 7 A 38 LEU H A 34 LEU O 1.0 0.0 2.4 8 8 A 34 LEU O A 38 LEU N 1.0 0.0 3.4 9 9 A 39 LYS H A 35 LEU O 1.0 0.0 2.4 10 10 A 35 LEU O A 39 LYS N 1.0 0.0 3.4 11 11 A 40 SER H A 36 LYS O 1.0 0.0 2.4 12 12 A 36 LYS O A 40 SER N 1.0 0.0 3.4 13 13 A 53 VAL H A 49 THR O 1.0 0.0 2.4 14 14 A 49 THR O A 53 VAL N 1.0 0.0 3.4 15 15 A 54 LEU H A 50 MET O 1.0 0.0 2.4 16 16 A 50 MET O A 54 LEU N 1.0 0.0 3.4 17 17 A 55 PHE H A 51 LYS O 1.0 0.0 2.4 18 18 A 51 LYS O A 55 PHE N 1.0 0.0 3.4 19 19 A 56 TYR H A 52 GLU O 1.0 0.0 2.4 20 20 A 52 GLU O A 56 TYR N 1.0 0.0 3.4 21 21 A 57 LEU H A 53 VAL O 1.0 0.0 2.4 22 22 A 53 VAL O A 57 LEU N 1.0 0.0 3.4 23 23 A 58 GLY H A 54 LEU O 1.0 0.0 2.4 24 24 A 54 LEU O A 58 GLY N 1.0 0.0 3.4 25 25 A 59 GLN H A 55 PHE O 1.0 0.0 2.4 26 26 A 55 PHE O A 59 GLN N 1.0 0.0 3.4 27 27 A 60 TYR H A 56 TYR O 1.0 0.0 2.4 28 28 A 56 TYR O A 60 TYR N 1.0 0.0 3.4 29 29 A 61 ILE H A 57 LEU O 1.0 0.0 2.4 30 30 A 57 LEU O A 61 ILE N 1.0 0.0 3.4 31 31 A 62 MET H A 58 GLY O 1.0 0.0 2.4 32 32 A 58 GLY O A 62 MET N 1.0 0.0 3.4 33 33 A 63 THR H A 59 GLN O 1.0 0.0 2.4 34 34 A 59 GLN O A 63 THR N 1.0 0.0 3.4 35 35 A 86 PHE H A 82 LEU O 1.0 0.0 2.4 36 36 A 82 LEU O A 86 PHE N 1.0 0.0 3.4 37 37 A 87 GLY H A 83 GLY O 1.0 0.0 2.4 38 38 A 83 GLY O A 87 GLY N 1.0 0.0 3.4 39 39 A 88 VAL H A 84 ASP O 1.0 0.0 2.4 40 40 A 84 ASP O A 88 VAL N 1.0 0.0 3.4 41 41 A 100 TYR H A 96 HIS O 1.0 0.0 2.4 42 42 A 96 HIS O A 100 TYR N 1.0 0.0 3.4 43 43 A 101 THR H A 97 ARG O 1.0 0.0 2.4 44 44 A 97 ARG O A 101 THR N 1.0 0.0 3.4 45 45 A 102 MET H A 98 LYS O 1.0 0.0 2.4 46 46 A 98 LYS O A 102 MET N 1.0 0.0 3.4 47 47 A 103 ILE H A 99 ILE O 1.0 0.0 2.4 48 48 A 99 ILE O A 103 ILE N 1.0 0.0 3.4 49 49 A 104 TYR H A 100 TYR O 1.0 0.0 2.4 50 50 A 100 TYR O A 104 TYR N 1.0 0.0 3.4 51 51 A 105 ARG H A 101 THR O 1.0 0.0 2.4 52 52 A 101 THR O A 105 ARG N 1.0 0.0 3.4 53 53 A 91 PHE H A 75 VAL O 1.0 0.0 2.4 54 54 A 75 VAL O A 91 PHE N 1.0 0.0 3.4 55 55 A 75 VAL H A 91 PHE O 1.0 0.0 2.4 56 56 A 91 PHE O A 75 VAL N 1.0 0.0 3.4 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 26 THR C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -129.5 -69.5 PHI 2 2 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 VAL N 1.0 107.2 167.2 PSI 3 3 A 27 LEU C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -160.5 -100.5 PHI 4 4 A 28 VAL N A 28 VAL CA A 28 VAL C A 29 ARG N 1.0 125.9 185.9 PSI 5 5 A 28 VAL C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -142.4 -82.4 PHI 6 6 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 PRO N 1.0 95.8 155.8 PSI 7 7 A 32 PRO C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -93.3 -33.3 PHI 8 8 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 LEU N 1.0 -65.9 -5.9 PSI 9 9 A 33 LEU C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -92.8 -32.8 PHI 10 10 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 LEU N 1.0 -73.9 -13.9 PSI 11 11 A 34 LEU C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -93.8 -33.8 PHI 12 12 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 LYS N 1.0 -70.1 -10.1 PSI 13 13 A 35 LEU C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -93.6 -33.6 PHI 14 14 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 LEU N 1.0 -69.5 -9.5 PSI 15 15 A 36 LYS C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -90.9 -30.9 PHI 16 16 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 LEU N 1.0 -78.2 -18.2 PSI 17 17 A 37 LEU C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -91.1 -31.1 PHI 18 18 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 LYS N 1.0 -76.4 -16.4 PSI 19 19 A 38 LEU C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -93.1 -33.1 PHI 20 20 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 SER N 1.0 -71.1 -11.1 PSI 21 21 A 39 LYS C A 40 SER N A 40 SER CA A 40 SER C 1.0 -91.7 -31.7 PHI 22 22 A 40 SER N A 40 SER CA A 40 SER C A 41 VAL N 1.0 -64.1 -4.1 PSI 23 23 A 40 SER C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -124.2 -64.2 PHI 24 24 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 GLY N 1.0 -23.1 36.9 PSI 25 25 A 41 VAL C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 49.3 109.3 PHI 26 26 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 ALA N 1.0 -16.0 44.0 PSI 27 27 A 43 ALA C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -128.7 -68.7 PHI 28 28 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 LYS N 1.0 -55.5 4.5 PSI 29 29 A 44 GLN C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -148.0 -88.0 PHI 30 30 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 ASP N 1.0 110.6 170.6 PSI 31 31 A 45 LYS C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -119.0 -59.0 PHI 32 32 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 THR N 1.0 -53.5 6.5 PSI 33 33 A 46 ASP C A 47 THR N A 47 THR CA A 47 THR C 1.0 -160.6 -100.6 PHI 34 34 A 47 THR N A 47 THR CA A 47 THR C A 48 TYR N 1.0 135.6 195.6 PSI 35 35 A 47 THR C A 48 TYR N A 48 TYR CA A 48 TYR C 1.0 -164.9 -104.9 PHI 36 36 A 48 TYR N A 48 TYR CA A 48 TYR C A 49 THR N 1.0 126.1 186.1 PSI 37 37 A 49 THR C A 50 MET N A 50 MET CA A 50 MET C 1.0 -91.1 -31.1 PHI 38 38 A 50 MET N A 50 MET CA A 50 MET C A 51 LYS N 1.0 -70.8 -10.8 PSI 39 39 A 50 MET C A 51 LYS N A 51 LYS CA A 51 LYS C 1.0 -92.1 -32.1 PHI 40 40 A 51 LYS N A 51 LYS CA A 51 LYS C A 52 GLU N 1.0 -73.2 -13.2 PSI 41 41 A 51 LYS C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -94.3 -34.3 PHI 42 42 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 VAL N 1.0 -72.0 -12.0 PSI 43 43 A 52 GLU C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -92.8 -32.8 PHI 44 44 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 LEU N 1.0 -71.0 -11.0 PSI 45 45 A 53 VAL C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -91.0 -31.0 PHI 46 46 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 PHE N 1.0 -68.7 -8.7 PSI 47 47 A 54 LEU C A 55 PHE N A 55 PHE CA A 55 PHE C 1.0 -92.9 -32.9 PHI 48 48 A 55 PHE N A 55 PHE CA A 55 PHE C A 56 TYR N 1.0 -76.1 -16.1 PSI 49 49 A 55 PHE C A 56 TYR N A 56 TYR CA A 56 TYR C 1.0 -91.6 -31.6 PHI 50 50 A 56 TYR N A 56 TYR CA A 56 TYR C A 57 LEU N 1.0 -71.4 -11.4 PSI 51 51 A 56 TYR C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -93.8 -33.8 PHI 52 52 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 GLY N 1.0 -72.3 -12.3 PSI 53 53 A 57 LEU C A 58 GLY N A 58 GLY CA A 58 GLY C 1.0 -92.2 -32.2 PHI 54 54 A 58 GLY N A 58 GLY CA A 58 GLY C A 59 GLN N 1.0 -72.8 -12.8 PSI 55 55 A 58 GLY C A 59 GLN N A 59 GLN CA A 59 GLN C 1.0 -93.1 -33.1 PHI 56 56 A 59 GLN N A 59 GLN CA A 59 GLN C A 60 TYR N 1.0 -69.2 -9.2 PSI 57 57 A 59 GLN C A 60 TYR N A 60 TYR CA A 60 TYR C 1.0 -94.1 -34.1 PHI 58 58 A 60 TYR N A 60 TYR CA A 60 TYR C A 61 ILE N 1.0 -75.9 -15.9 PSI 59 59 A 60 TYR C A 61 ILE N A 61 ILE CA A 61 ILE C 1.0 -94.2 -34.2 PHI 60 60 A 61 ILE N A 61 ILE CA A 61 ILE C A 62 MET N 1.0 -77.7 -17.7 PSI 61 61 A 61 ILE C A 62 MET N A 62 MET CA A 62 MET C 1.0 -90.2 -30.2 PHI 62 62 A 62 MET N A 62 MET CA A 62 MET C A 63 THR N 1.0 -69.3 -9.3 PSI 63 63 A 62 MET C A 63 THR N A 63 THR CA A 63 THR C 1.0 -93.3 -33.3 PHI 64 64 A 63 THR N A 63 THR CA A 63 THR C A 64 LYS N 1.0 -71.0 -11.0 PSI 65 65 A 63 THR C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -123.0 -63.0 PHI 66 66 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 ARG N 1.0 -24.7 35.3 PSI 67 67 A 64 LYS C A 65 ARG N A 65 ARG CA A 65 ARG C 1.0 29.1 89.1 PHI 68 68 A 65 ARG N A 65 ARG CA A 65 ARG C A 66 LEU N 1.0 6.3 66.3 PSI 69 69 A 65 ARG C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -122.2 -62.2 PHI 70 70 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 TYR N 1.0 -38.6 21.4 PSI 71 71 A 66 LEU C A 67 TYR N A 67 TYR CA A 67 TYR C 1.0 -152.2 -92.2 PHI 72 72 A 67 TYR N A 67 TYR CA A 67 TYR C A 68 ASP N 1.0 116.0 176.0 PSI 73 73 A 67 TYR C A 68 ASP N A 68 ASP CA A 68 ASP C 1.0 -112.5 -52.5 PHI 74 74 A 68 ASP N A 68 ASP CA A 68 ASP C A 69 GLU N 1.0 118.5 178.5 PSI 75 75 A 68 ASP C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -90.9 -30.9 PHI 76 76 A 69 GLU N A 69 GLU CA A 69 GLU C A 70 LYS N 1.0 -57.8 2.2 PSI 77 77 A 69 GLU C A 70 LYS N A 70 LYS CA A 70 LYS C 1.0 -119.2 -59.2 PHI 78 78 A 70 LYS N A 70 LYS CA A 70 LYS C A 71 GLN N 1.0 -28.7 31.3 PSI 79 79 A 71 GLN C A 72 GLN N A 72 GLN CA A 72 GLN C 1.0 -92.8 -32.8 PHI 80 80 A 72 GLN N A 72 GLN CA A 72 GLN C A 73 HIS N 1.0 -56.4 3.6 PSI 81 81 A 72 GLN C A 73 HIS N A 73 HIS CA A 73 HIS C 1.0 -127.1 -67.1 PHI 82 82 A 73 HIS N A 73 HIS CA A 73 HIS C A 74 ILE N 1.0 -31.9 28.1 PSI 83 83 A 73 HIS C A 74 ILE N A 74 ILE CA A 74 ILE C 1.0 -121.3 -61.3 PHI 84 84 A 74 ILE N A 74 ILE CA A 74 ILE C A 75 VAL N 1.0 89.2 149.2 PSI 85 85 A 74 ILE C A 75 VAL N A 75 VAL CA A 75 VAL C 1.0 -128.7 -68.7 PHI 86 86 A 75 VAL N A 75 VAL CA A 75 VAL C A 76 TYR N 1.0 121.0 181.0 PSI 87 87 A 75 VAL C A 76 TYR N A 76 TYR CA A 76 TYR C 1.0 -106.5 -46.5 PHI 88 88 A 76 TYR N A 76 TYR CA A 76 TYR C A 77 CYS N 1.0 -68.1 -8.1 PSI 89 89 A 80 ASP C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -91.8 -31.8 PHI 90 90 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 LEU N 1.0 -67.5 -7.5 PSI 91 91 A 81 LEU C A 82 LEU N A 82 LEU CA A 82 LEU C 1.0 -93.0 -33.0 PHI 92 92 A 82 LEU N A 82 LEU CA A 82 LEU C A 83 GLY N 1.0 -66.2 -6.2 PSI 93 93 A 82 LEU C A 83 GLY N A 83 GLY CA A 83 GLY C 1.0 -92.4 -32.4 PHI 94 94 A 83 GLY N A 83 GLY CA A 83 GLY C A 84 ASP N 1.0 -70.5 -10.5 PSI 95 95 A 83 GLY C A 84 ASP N A 84 ASP CA A 84 ASP C 1.0 -92.8 -32.8 PHI 96 96 A 84 ASP N A 84 ASP CA A 84 ASP C A 85 LEU N 1.0 -73.5 -13.5 PSI 97 97 A 84 ASP C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -95.6 -35.6 PHI 98 98 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 PHE N 1.0 -54.4 5.6 PSI 99 99 A 85 LEU C A 86 PHE N A 86 PHE CA A 86 PHE C 1.0 -120.2 -60.2 PHI 100 100 A 86 PHE N A 86 PHE CA A 86 PHE C A 87 GLY N 1.0 -26.3 33.7 PSI 101 101 A 86 PHE C A 87 GLY N A 87 GLY CA A 87 GLY C 1.0 38.7 98.7 PHI 102 102 A 87 GLY N A 87 GLY CA A 87 GLY C A 88 VAL N 1.0 6.4 66.4 PSI 103 103 A 87 GLY C A 88 VAL N A 88 VAL CA A 88 VAL C 1.0 -166.3 -106.3 PHI 104 104 A 88 VAL N A 88 VAL CA A 88 VAL C A 89 PRO N 1.0 125.3 185.3 PSI 105 105 A 90 SER C A 91 PHE N A 91 PHE CA A 91 PHE C 1.0 -174.2 -114.2 PHI 106 106 A 91 PHE N A 91 PHE CA A 91 PHE C A 92 SER N 1.0 132.2 192.2 PSI 107 107 A 91 PHE C A 92 SER N A 92 SER CA A 92 SER C 1.0 -143.7 -83.7 PHI 108 108 A 92 SER N A 92 SER CA A 92 SER C A 93 VAL N 1.0 113.1 173.1 PSI 109 109 A 92 SER C A 93 VAL N A 93 VAL CA A 93 VAL C 1.0 -88.5 -28.5 PHI 110 110 A 93 VAL N A 93 VAL CA A 93 VAL C A 94 LYS N 1.0 -63.4 -3.4 PSI 111 111 A 93 VAL C A 94 LYS N A 94 LYS CA A 94 LYS C 1.0 -118.8 -58.8 PHI 112 112 A 94 LYS N A 94 LYS CA A 94 LYS C A 95 GLU N 1.0 -31.6 28.4 PSI 113 113 A 95 GLU C A 96 HIS N A 96 HIS CA A 96 HIS C 1.0 -88.1 -28.1 PHI 114 114 A 96 HIS N A 96 HIS CA A 96 HIS C A 97 ARG N 1.0 -68.4 -8.4 PSI 115 115 A 96 HIS C A 97 ARG N A 97 ARG CA A 97 ARG C 1.0 -91.2 -31.2 PHI 116 116 A 97 ARG N A 97 ARG CA A 97 ARG C A 98 LYS N 1.0 -73.0 -13.0 PSI 117 117 A 97 ARG C A 98 LYS N A 98 LYS CA A 98 LYS C 1.0 -95.4 -35.4 PHI 118 118 A 98 LYS N A 98 LYS CA A 98 LYS C A 99 ILE N 1.0 -72.9 -12.9 PSI 119 119 A 98 LYS C A 99 ILE N A 99 ILE CA A 99 ILE C 1.0 -92.6 -32.6 PHI 120 120 A 99 ILE N A 99 ILE CA A 99 ILE C A 100 TYR N 1.0 -76.2 -16.2 PSI 121 121 A 99 ILE C A 100 TYR N A 100 TYR CA A 100 TYR C 1.0 -90.5 -30.5 PHI 122 122 A 100 TYR N A 100 TYR CA A 100 TYR C A 101 THR N 1.0 -71.8 -11.8 PSI 123 123 A 100 TYR C A 101 THR N A 101 THR CA A 101 THR C 1.0 -92.6 -32.6 PHI 124 124 A 101 THR N A 101 THR CA A 101 THR C A 102 MET N 1.0 -70.8 -10.8 PSI 125 125 A 101 THR C A 102 MET N A 102 MET CA A 102 MET C 1.0 -92.9 -32.9 PHI 126 126 A 102 MET N A 102 MET CA A 102 MET C A 103 ILE N 1.0 -72.5 -12.5 PSI 127 127 A 102 MET C A 103 ILE N A 103 ILE CA A 103 ILE C 1.0 -93.4 -33.4 PHI 128 128 A 103 ILE N A 103 ILE CA A 103 ILE C A 104 TYR N 1.0 -73.6 -13.6 PSI 129 129 A 103 ILE C A 104 TYR N A 104 TYR CA A 104 TYR C 1.0 -92.1 -32.1 PHI 130 130 A 104 TYR N A 104 TYR CA A 104 TYR C A 105 ARG N 1.0 -71.5 -11.5 PSI 131 131 A 104 TYR C A 105 ARG N A 105 ARG CA A 105 ARG C 1.0 -104.3 -44.3 PHI 132 132 A 105 ARG N A 105 ARG CA A 105 ARG C A 106 ASN N 1.0 -52.3 7.7 PSI 133 133 A 105 ARG C A 106 ASN N A 106 ASN CA A 106 ASN C 1.0 -122.1 -62.1 PHI 134 134 A 106 ASN N A 106 ASN CA A 106 ASN C A 107 LEU N 1.0 -52.6 7.4 PSI 135 135 A 107 LEU C A 108 VAL N A 108 VAL CA A 108 VAL C 1.0 -109.1 -49.1 PHI 136 136 A 108 VAL N A 108 VAL CA A 108 VAL C A 109 VAL N 1.0 94.8 154.8 PSI 137 137 B 301 ASP N B 301 ASP CA B 301 ASP C B 302 GLY N 1.0 -41.5 18.5 PSI 138 138 B 304 THR C B 305 THR N B 305 THR CA B 305 THR C 1.0 -106.8 -46.8 PHI 139 139 B 305 THR N B 305 THR CA B 305 THR C B 306 PHE N 1.0 133.9 193.9 PSI 140 140 B 305 THR C B 306 PHE N B 306 PHE CA B 306 PHE C 1.0 -90.8 -30.8 PHI 141 141 B 306 PHE N B 306 PHE CA B 306 PHE C B 307 GLU N 1.0 -67.8 -7.8 PSI 142 142 B 306 PHE C B 307 GLU N B 307 GLU CA B 307 GLU C 1.0 -87.3 -27.3 PHI 143 143 B 307 GLU N B 307 GLU CA B 307 GLU C B 308 HIS N 1.0 -74.2 -14.2 PSI 144 144 B 307 GLU C B 308 HIS N B 308 HIS CA B 308 HIS C 1.0 -99.0 -39.0 PHI 145 145 B 308 HIS N B 308 HIS CA B 308 HIS C B 309 LEU N 1.0 -71.8 -11.8 PSI 146 146 B 308 HIS C B 309 LEU N B 309 LEU CA B 309 LEU C 1.0 -95.7 -35.7 PHI 147 147 B 309 LEU N B 309 LEU CA B 309 LEU C B 310 TRP N 1.0 -70.9 -10.9 PSI 148 148 B 309 LEU C B 310 TRP N B 310 TRP CA B 310 TRP C 1.0 -91.8 -31.8 PHI 149 149 B 310 TRP N B 310 TRP CA B 310 TRP C B 311 SER N 1.0 -70.3 -10.3 PSI 150 150 B 310 TRP C B 311 SER N B 311 SER CA B 311 SER C 1.0 -95.9 -35.9 PHI 151 151 B 311 SER N B 311 SER CA B 311 SER C B 312 SER N 1.0 -62.4 -2.4 PSI 152 152 B 311 SER C B 312 SER N B 312 SER CA B 312 SER C 1.0 -116.1 -56.1 PHI 153 153 B 312 SER N B 312 SER CA B 312 SER C B 313 LEU N 1.0 -41.3 18.7 PSI 154 154 B 313 LEU C B 314 GLU N B 314 GLU CA B 314 GLU C 1.0 -130.0 -70.0 PHI 155 155 B 314 GLU N B 314 GLU CA B 314 GLU C B 315 PRO N 1.0 103.8 163.8 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.potential_type square-well-parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 28 VAL N A 28 VAL H 1.0 -1.06 0.94 . 2 2 A 37 LEU N A 37 LEU H 1.0 -0.90 1.10 . 3 3 A 43 ALA N A 43 ALA H 1.0 -0.89 1.11 . 4 4 A 73 HIS N A 73 HIS H 1.0 -1.00 1.00 . 5 5 A 74 ILE N A 74 ILE H 1.0 -1.46 0.54 . 6 6 A 78 SER N A 78 SER H 1.0 -0.93 1.07 . 7 7 A 88 VAL N A 88 VAL H 1.0 -0.42 1.58 . 8 8 A 90 SER N A 90 SER H 1.0 -1.09 0.91 . 9 9 A 92 SER N A 92 SER H 1.0 -0.99 1.01 . 10 10 A 95 GLU N A 95 GLU H 1.0 -1.11 0.89 . 11 11 A 101 THR N A 101 THR H 1.0 -0.79 1.21 . 12 12 A 109 VAL N A 109 VAL H 1.0 -0.93 1.07 . stop_ save_