data_nef_c15652_2k0m save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ALA middle . . 3 A 3 LYS middle . . 4 A 4 ALA middle . . 5 A 5 GLN middle . . 6 A 6 PRO middle . false 7 A 7 ILE middle . . 8 A 8 GLU middle . . 9 A 9 ILE middle . . 10 A 10 ALA middle . . 11 A 11 GLY middle . false 12 A 12 HIS middle . . 13 A 13 GLU middle . . 14 A 14 PHE middle . . 15 A 15 ALA middle . . 16 A 16 ARG middle . . 17 A 17 LYS middle . . 18 A 18 ALA middle . . 19 A 19 ASP middle . . 20 A 20 ALA middle . . 21 A 21 LEU middle . . 22 A 22 ALA middle . . 23 A 23 PHE middle . . 24 A 24 MET middle . . 25 A 25 LYS middle . . 26 A 26 VAL middle . . 27 A 27 MET middle . . 28 A 28 LEU middle . . 29 A 29 ASN middle . . 30 A 30 ARG middle . . 31 A 31 TYR middle . . 32 A 32 ARG middle . . 33 A 33 PRO middle . false 34 A 34 GLY middle . false 35 A 35 ASP middle . . 36 A 36 ILE middle . . 37 A 37 VAL middle . . 38 A 38 SER middle . . 39 A 39 THR middle . . 40 A 40 VAL middle . . 41 A 41 ASP middle . . 42 A 42 GLY middle . false 43 A 43 ALA middle . . 44 A 44 PHE middle . . 45 A 45 LEU middle . . 46 A 46 VAL middle . . 47 A 47 GLU middle . . 48 A 48 ALA middle . . 49 A 49 LEU middle . . 50 A 50 LYS middle . . 51 A 51 ARG middle . . 52 A 52 HIS middle . . 53 A 53 PRO middle . false 54 A 54 ASP middle . . 55 A 55 ALA middle . . 56 A 56 THR middle . . 57 A 57 SER middle . . 58 A 58 LYS middle . . 59 A 59 ILE middle . . 60 A 60 GLY middle . false 61 A 61 PRO middle . false 62 A 62 GLY middle . false 63 A 63 VAL middle . . 64 A 64 ARG middle . . 65 A 65 ASN middle . . 66 A 66 PHE middle . . 67 A 67 GLU middle . . 68 A 68 VAL middle . . 69 A 69 ARG middle . . 70 A 70 SER middle . . 71 A 71 ALA middle . . 72 A 72 ASP middle . . 73 A 73 TYR middle . . 74 A 74 GLY middle . false 75 A 75 THR middle . . 76 A 76 GLN middle . . 77 A 77 CYS middle . . 78 A 78 PHE middle . . 79 A 79 TRP middle . . 80 A 80 ILE middle . . 81 A 81 LEU middle . . 82 A 82 ARG middle . . 83 A 83 THR middle . . 84 A 84 ASP middle . . 85 A 85 GLY middle . false 86 A 86 SER middle . . 87 A 87 GLU middle . . 88 A 88 GLU middle . . 89 A 89 ARG middle . . 90 A 90 PHE middle . . 91 A 91 SER middle . . 92 A 92 TYR middle . . 93 A 93 LYS middle . . 94 A 94 LYS middle . . 95 A 95 CYS middle . . 96 A 96 VAL middle . . 97 A 97 LEU middle . . 98 A 98 GLU middle . . 99 A 99 HIS middle . . 100 A 100 HIS middle . . 101 A 101 HIS middle . . 102 A 102 HIS middle . . 103 A 103 HIS middle . . 104 A 104 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ALA HA H 1 4.102 0.03 A 2 ALA HB% H 1 1.525 0.03 A 2 ALA CA C 13 51.775 0.3 A 2 ALA CB C 13 19.665 0.3 A 3 LYS HA H 1 4.329 0.03 A 3 LYS HBy H 1 1.813 0.03 A 3 LYS HBx H 1 1.785 0.03 A 3 LYS HDx H 1 1.704 0.03 A 3 LYS HEx H 1 3.011 0.03 A 3 LYS HEy H 1 3.011 0.03 A 3 LYS HGx H 1 1.465 0.03 A 3 LYS HGy H 1 1.467 0.03 A 3 LYS C C 13 176.086 0.3 A 3 LYS CA C 13 56.354 0.3 A 3 LYS CB C 13 33.325 0.3 A 3 LYS CD C 13 29.251 0.3 A 3 LYS CE C 13 42.183 0.3 A 3 LYS CG C 13 24.707 0.3 A 4 ALA H H 1 8.515 0.03 A 4 ALA HA H 1 4.356 0.03 A 4 ALA HB% H 1 1.417 0.03 A 4 ALA C C 13 177.307 0.3 A 4 ALA CA C 13 52.316 0.3 A 4 ALA CB C 13 19.421 0.3 A 4 ALA N N 15 126.866 0.3 A 5 GLN H H 1 8.521 0.03 A 5 GLN HA H 1 4.652 0.03 A 5 GLN HBy H 1 2.067 0.03 A 5 GLN HBx H 1 1.920 0.03 A 5 GLN HE21 H 1 7.572 0.03 A 5 GLN HE22 H 1 6.879 0.03 A 5 GLN HGx H 1 2.379 0.03 A 5 GLN HGy H 1 2.379 0.03 A 5 GLN C C 13 173.576 0.3 A 5 GLN CA C 13 53.470 0.3 A 5 GLN CB C 13 29.457 0.3 A 5 GLN CG C 13 33.603 0.3 A 5 GLN N N 15 122.182 0.3 A 5 GLN NE2 N 15 112.508 0.3 A 6 PRO HA H 1 4.587 0.03 A 6 PRO HBy H 1 2.194 0.03 A 6 PRO HBx H 1 1.725 0.03 A 6 PRO HDy H 1 3.751 0.03 A 6 PRO HDx H 1 3.690 0.03 A 6 PRO HGy H 1 1.952 0.03 A 6 PRO HGx H 1 1.907 0.03 A 6 PRO C C 13 176.481 0.3 A 6 PRO CA C 13 63.028 0.3 A 6 PRO CB C 13 32.905 0.3 A 6 PRO CD C 13 50.736 0.3 A 6 PRO CG C 13 27.054 0.3 A 7 ILE H H 1 8.581 0.03 A 7 ILE HA H 1 4.245 0.03 A 7 ILE HB H 1 1.876 0.03 A 7 ILE HD1% H 1 0.721 0.03 A 7 ILE HG1y H 1 1.539 0.03 A 7 ILE HG1x H 1 1.053 0.03 A 7 ILE HG2% H 1 0.864 0.03 A 7 ILE C C 13 174.129 0.3 A 7 ILE CA C 13 60.613 0.3 A 7 ILE CB C 13 40.266 0.3 A 7 ILE CD1 C 13 13.916 0.3 A 7 ILE CG1 C 13 27.605 0.3 A 7 ILE CG2 C 13 17.505 0.3 A 7 ILE N N 15 120.418 0.3 A 8 GLU H H 1 8.572 0.03 A 8 GLU HA H 1 5.363 0.03 A 8 GLU HBy H 1 1.986 0.03 A 8 GLU HBx H 1 1.812 0.03 A 8 GLU HGy H 1 2.131 0.03 A 8 GLU HGx H 1 1.829 0.03 A 8 GLU C C 13 175.806 0.3 A 8 GLU CA C 13 54.749 0.3 A 8 GLU CB C 13 31.505 0.3 A 8 GLU CG C 13 36.104 0.3 A 8 GLU N N 15 128.440 0.3 A 9 ILE H H 1 8.591 0.03 A 9 ILE HA H 1 4.111 0.03 A 9 ILE HB H 1 1.701 0.03 A 9 ILE HD1% H 1 0.669 0.03 A 9 ILE HG1y H 1 1.508 0.03 A 9 ILE HG1x H 1 0.827 0.03 A 9 ILE HG2% H 1 0.126 0.03 A 9 ILE C C 13 174.977 0.3 A 9 ILE CA C 13 60.967 0.3 A 9 ILE CB C 13 41.559 0.3 A 9 ILE CD1 C 13 13.382 0.3 A 9 ILE CG1 C 13 27.368 0.3 A 9 ILE CG2 C 13 17.426 0.3 A 9 ILE N N 15 123.957 0.3 A 10 ALA H H 1 9.398 0.03 A 10 ALA HA H 1 4.072 0.03 A 10 ALA HB% H 1 1.454 0.03 A 10 ALA C C 13 177.026 0.3 A 10 ALA CA C 13 52.646 0.3 A 10 ALA CB C 13 18.121 0.3 A 10 ALA N N 15 130.074 0.3 A 11 GLY H H 1 8.958 0.03 A 11 GLY HAy H 1 4.046 0.03 A 11 GLY HAx H 1 3.570 0.03 A 11 GLY C C 13 174.139 0.3 A 11 GLY CA C 13 45.467 0.3 A 11 GLY N N 15 105.460 0.3 A 12 HIS H H 1 8.189 0.03 A 12 HIS HA H 1 4.325 0.03 A 12 HIS HBy H 1 3.145 0.03 A 12 HIS HBx H 1 2.258 0.03 A 12 HIS HD2 H 1 7.093 0.03 A 12 HIS HE1 H 1 8.450 0.03 A 12 HIS C C 13 173.060 0.3 A 12 HIS CA C 13 54.628 0.3 A 12 HIS CB C 13 30.432 0.3 A 12 HIS CD2 C 13 120.709 0.3 A 12 HIS CE1 C 13 136.779 0.3 A 12 HIS N N 15 120.216 0.3 A 13 GLU H H 1 8.338 0.03 A 13 GLU HA H 1 4.659 0.03 A 13 GLU HBx H 1 1.741 0.03 A 13 GLU HBy H 1 1.741 0.03 A 13 GLU HGy H 1 2.047 0.03 A 13 GLU HGx H 1 1.870 0.03 A 13 GLU C C 13 175.231 0.3 A 13 GLU CA C 13 55.147 0.3 A 13 GLU CB C 13 31.218 0.3 A 13 GLU CG C 13 36.844 0.3 A 13 GLU N N 15 122.925 0.3 A 14 PHE H H 1 9.117 0.03 A 14 PHE HA H 1 4.941 0.03 A 14 PHE HBy H 1 3.143 0.03 A 14 PHE HBx H 1 2.806 0.03 A 14 PHE HDx H 1 7.111 0.03 A 14 PHE HDy H 1 7.114 0.03 A 14 PHE HEx H 1 7.059 0.03 A 14 PHE HEy H 1 7.059 0.03 A 14 PHE HZ H 1 5.906 0.03 A 14 PHE C C 13 175.179 0.3 A 14 PHE CA C 13 56.302 0.3 A 14 PHE CB C 13 41.499 0.3 A 14 PHE CDx C 13 132.423 0.3 A 14 PHE CDy C 13 132.423 0.3 A 14 PHE CEx C 13 131.052 0.3 A 14 PHE CEy C 13 131.052 0.3 A 14 PHE CZ C 13 128.228 0.3 A 14 PHE N N 15 123.141 0.3 A 15 ALA H H 1 9.393 0.03 A 15 ALA HA H 1 4.130 0.03 A 15 ALA HB% H 1 1.549 0.03 A 15 ALA C C 13 177.675 0.3 A 15 ALA CA C 13 54.880 0.3 A 15 ALA CB C 13 18.986 0.3 A 15 ALA N N 15 126.102 0.3 A 16 ARG H H 1 7.756 0.03 A 16 ARG HA H 1 4.809 0.03 A 16 ARG HBy H 1 2.183 0.03 A 16 ARG HBx H 1 1.859 0.03 A 16 ARG HDx H 1 3.283 0.03 A 16 ARG HDy H 1 3.283 0.03 A 16 ARG HGy H 1 1.768 0.03 A 16 ARG HGx H 1 1.532 0.03 A 16 ARG C C 13 177.344 0.3 A 16 ARG CA C 13 53.409 0.3 A 16 ARG CB C 13 33.323 0.3 A 16 ARG CD C 13 43.412 0.3 A 16 ARG CG C 13 26.389 0.3 A 16 ARG N N 15 110.189 0.3 A 17 LYS H H 1 9.303 0.03 A 17 LYS HA H 1 3.742 0.03 A 17 LYS HBy H 1 1.927 0.03 A 17 LYS HBx H 1 1.838 0.03 A 17 LYS HDx H 1 1.757 0.03 A 17 LYS HDy H 1 1.757 0.03 A 17 LYS HEx H 1 3.030 0.03 A 17 LYS HEy H 1 3.030 0.03 A 17 LYS HGy H 1 1.544 0.03 A 17 LYS HGx H 1 1.365 0.03 A 17 LYS C C 13 178.667 0.3 A 17 LYS CA C 13 60.663 0.3 A 17 LYS CB C 13 32.005 0.3 A 17 LYS CD C 13 29.658 0.3 A 17 LYS CE C 13 42.298 0.3 A 17 LYS CG C 13 25.526 0.3 A 17 LYS N N 15 125.242 0.3 A 18 ALA H H 1 8.777 0.03 A 18 ALA HA H 1 4.046 0.03 A 18 ALA HB% H 1 1.429 0.03 A 18 ALA C C 13 180.134 0.3 A 18 ALA CA C 13 55.181 0.3 A 18 ALA CB C 13 18.633 0.3 A 18 ALA N N 15 118.670 0.3 A 19 ASP H H 1 7.454 0.03 A 19 ASP HA H 1 4.586 0.03 A 19 ASP HBy H 1 3.180 0.03 A 19 ASP HBx H 1 3.105 0.03 A 19 ASP C C 13 178.469 0.3 A 19 ASP CA C 13 57.082 0.3 A 19 ASP CB C 13 41.304 0.3 A 19 ASP N N 15 117.020 0.3 A 20 ALA H H 1 7.123 0.03 A 20 ALA HA H 1 2.604 0.03 A 20 ALA HB% H 1 0.914 0.03 A 20 ALA C C 13 178.706 0.3 A 20 ALA CA C 13 54.453 0.3 A 20 ALA CB C 13 18.199 0.3 A 20 ALA N N 15 124.691 0.3 A 21 LEU H H 1 7.871 0.03 A 21 LEU HA H 1 4.008 0.03 A 21 LEU HBy H 1 1.865 0.03 A 21 LEU HBx H 1 1.733 0.03 A 21 LEU HD1% H 1 0.951 0.03 A 21 LEU HD2% H 1 0.983 0.03 A 21 LEU HG H 1 1.723 0.03 A 21 LEU C C 13 179.041 0.3 A 21 LEU CA C 13 58.398 0.3 A 21 LEU CB C 13 41.382 0.3 A 21 LEU CD1 C 13 25.576 0.3 A 21 LEU CD2 C 13 23.980 0.3 A 21 LEU CG C 13 27.265 0.3 A 21 LEU N N 15 116.889 0.3 A 22 ALA H H 1 7.972 0.03 A 22 ALA HA H 1 4.158 0.03 A 22 ALA HB% H 1 1.587 0.03 A 22 ALA C C 13 179.288 0.3 A 22 ALA CA C 13 55.180 0.3 A 22 ALA CB C 13 18.013 0.3 A 22 ALA N N 15 121.219 0.3 A 23 PHE H H 1 7.546 0.03 A 23 PHE HA H 1 4.081 0.03 A 23 PHE HBy H 1 3.199 0.03 A 23 PHE HBx H 1 3.009 0.03 A 23 PHE HDx H 1 6.772 0.03 A 23 PHE HDy H 1 6.773 0.03 A 23 PHE HEy H 1 6.365 0.03 A 23 PHE HEx H 1 6.362 0.03 A 23 PHE HZ H 1 6.692 0.03 A 23 PHE C C 13 178.515 0.3 A 23 PHE CA C 13 61.520 0.3 A 23 PHE CB C 13 40.296 0.3 A 23 PHE CDx C 13 131.812 0.3 A 23 PHE CDy C 13 131.812 0.3 A 23 PHE CEy C 13 131.373 0.3 A 23 PHE CEx C 13 131.360 0.3 A 23 PHE CZ C 13 129.370 0.3 A 23 PHE N N 15 119.034 0.3 A 24 MET H H 1 7.595 0.03 A 24 MET HA H 1 3.768 0.03 A 24 MET HBy H 1 2.017 0.03 A 24 MET HBx H 1 1.343 0.03 A 24 MET HE% H 1 1.958 0.03 A 24 MET HGy H 1 2.841 0.03 A 24 MET HGx H 1 2.280 0.03 A 24 MET C C 13 176.037 0.3 A 24 MET CA C 13 59.901 0.3 A 24 MET CB C 13 34.008 0.3 A 24 MET CE C 13 17.732 0.3 A 24 MET CG C 13 35.487 0.3 A 24 MET N N 15 118.377 0.3 A 25 LYS H H 1 8.131 0.03 A 25 LYS HA H 1 3.747 0.03 A 25 LYS HBx H 1 2.004 0.03 A 25 LYS HBy H 1 2.022 0.03 A 25 LYS HDx H 1 1.761 0.03 A 25 LYS HDy H 1 1.761 0.03 A 25 LYS HEx H 1 3.000 0.03 A 25 LYS HEy H 1 3.000 0.03 A 25 LYS HGy H 1 1.445 0.03 A 25 LYS HGx H 1 1.355 0.03 A 25 LYS C C 13 178.865 0.3 A 25 LYS CA C 13 59.994 0.3 A 25 LYS CB C 13 32.365 0.3 A 25 LYS CD C 13 29.667 0.3 A 25 LYS CE C 13 42.271 0.3 A 25 LYS CG C 13 25.472 0.3 A 25 LYS N N 15 121.901 0.3 A 26 VAL H H 1 7.986 0.03 A 26 VAL HA H 1 3.515 0.03 A 26 VAL HB H 1 1.898 0.03 A 26 VAL HG1% H 1 0.777 0.03 A 26 VAL HG2% H 1 1.004 0.03 A 26 VAL C C 13 178.654 0.3 A 26 VAL CA C 13 66.337 0.3 A 26 VAL CB C 13 31.302 0.3 A 26 VAL CG1 C 13 21.302 0.3 A 26 VAL CG2 C 13 22.974 0.3 A 26 VAL N N 15 119.393 0.3 A 27 MET H H 1 7.232 0.03 A 27 MET HA H 1 3.586 0.03 A 27 MET HBy H 1 2.108 0.03 A 27 MET HBx H 1 1.914 0.03 A 27 MET HE% H 1 1.721 0.03 A 27 MET HGy H 1 2.559 0.03 A 27 MET HGx H 1 2.212 0.03 A 27 MET C C 13 177.564 0.3 A 27 MET CA C 13 59.113 0.3 A 27 MET CB C 13 34.025 0.3 A 27 MET CE C 13 16.017 0.3 A 27 MET CG C 13 30.370 0.3 A 27 MET N N 15 119.647 0.3 A 28 LEU H H 1 8.201 0.03 A 28 LEU HA H 1 3.733 0.03 A 28 LEU HBy H 1 1.846 0.03 A 28 LEU HBx H 1 1.311 0.03 A 28 LEU HD1% H 1 -0.097 0.03 A 28 LEU HD2% H 1 0.719 0.03 A 28 LEU HG H 1 1.220 0.03 A 28 LEU C C 13 178.075 0.3 A 28 LEU CA C 13 57.980 0.3 A 28 LEU CB C 13 41.151 0.3 A 28 LEU CD1 C 13 21.788 0.3 A 28 LEU CD2 C 13 26.113 0.3 A 28 LEU CG C 13 26.652 0.3 A 28 LEU N N 15 118.420 0.3 A 29 ASN H H 1 7.579 0.03 A 29 ASN HA H 1 4.512 0.03 A 29 ASN HBy H 1 2.845 0.03 A 29 ASN HBx H 1 2.726 0.03 A 29 ASN HD21 H 1 7.503 0.03 A 29 ASN HD22 H 1 6.842 0.03 A 29 ASN C C 13 176.087 0.3 A 29 ASN CA C 13 54.286 0.3 A 29 ASN CB C 13 38.984 0.3 A 29 ASN N N 15 112.254 0.3 A 29 ASN ND2 N 15 111.639 0.3 A 30 ARG H H 1 7.621 0.03 A 30 ARG HA H 1 4.169 0.03 A 30 ARG HBy H 1 1.762 0.03 A 30 ARG HBx H 1 1.527 0.03 A 30 ARG HDy H 1 3.067 0.03 A 30 ARG HDx H 1 2.966 0.03 A 30 ARG HGy H 1 1.567 0.03 A 30 ARG HGx H 1 1.469 0.03 A 30 ARG C C 13 175.926 0.3 A 30 ARG CA C 13 57.482 0.3 A 30 ARG CB C 13 30.404 0.3 A 30 ARG CD C 13 43.834 0.3 A 30 ARG CG C 13 28.370 0.3 A 30 ARG N N 15 118.878 0.3 A 31 TYR H H 1 7.287 0.03 A 31 TYR HA H 1 4.690 0.03 A 31 TYR HBy H 1 3.249 0.03 A 31 TYR HBx H 1 2.743 0.03 A 31 TYR HDx H 1 7.577 0.03 A 31 TYR HDy H 1 7.577 0.03 A 31 TYR HEx H 1 6.953 0.03 A 31 TYR HEy H 1 6.953 0.03 A 31 TYR C C 13 174.348 0.3 A 31 TYR CA C 13 58.118 0.3 A 31 TYR CB C 13 43.045 0.3 A 31 TYR CDx C 13 134.338 0.3 A 31 TYR CDy C 13 134.338 0.3 A 31 TYR CEx C 13 118.556 0.3 A 31 TYR CEy C 13 118.556 0.3 A 31 TYR N N 15 118.414 0.3 A 32 ARG H H 1 9.314 0.03 A 32 ARG HA H 1 4.913 0.03 A 32 ARG HBy H 1 1.803 0.03 A 32 ARG HBx H 1 1.674 0.03 A 32 ARG HDy H 1 3.291 0.03 A 32 ARG HDx H 1 3.231 0.03 A 32 ARG HGx H 1 1.699 0.03 A 32 ARG HGy H 1 1.699 0.03 A 32 ARG C C 13 173.525 0.3 A 32 ARG CA C 13 52.775 0.3 A 32 ARG CB C 13 30.292 0.3 A 32 ARG CD C 13 43.180 0.3 A 32 ARG CG C 13 26.746 0.3 A 32 ARG N N 15 121.876 0.3 A 33 PRO HA H 1 3.870 0.03 A 33 PRO HBy H 1 2.327 0.03 A 33 PRO HBx H 1 1.901 0.03 A 33 PRO HDy H 1 3.925 0.03 A 33 PRO HDx H 1 3.454 0.03 A 33 PRO HGy H 1 2.166 0.03 A 33 PRO HGx H 1 1.555 0.03 A 33 PRO C C 13 177.517 0.3 A 33 PRO CA C 13 64.332 0.3 A 33 PRO CB C 13 31.655 0.3 A 33 PRO CD C 13 50.235 0.3 A 33 PRO CG C 13 28.989 0.3 A 34 GLY H H 1 9.584 0.03 A 34 GLY HAy H 1 4.422 0.03 A 34 GLY HAx H 1 3.725 0.03 A 34 GLY C C 13 174.605 0.3 A 34 GLY CA C 13 44.745 0.3 A 34 GLY N N 15 115.669 0.3 A 35 ASP H H 1 8.252 0.03 A 35 ASP HA H 1 4.691 0.03 A 35 ASP HBy H 1 3.080 0.03 A 35 ASP HBx H 1 2.856 0.03 A 35 ASP C C 13 175.279 0.3 A 35 ASP CA C 13 55.195 0.3 A 35 ASP CB C 13 42.301 0.3 A 35 ASP N N 15 122.076 0.3 A 36 ILE H H 1 8.194 0.03 A 36 ILE HA H 1 4.546 0.03 A 36 ILE HB H 1 1.886 0.03 A 36 ILE HD1% H 1 0.845 0.03 A 36 ILE HG1y H 1 1.631 0.03 A 36 ILE HG1x H 1 1.411 0.03 A 36 ILE HG2% H 1 1.062 0.03 A 36 ILE C C 13 176.709 0.3 A 36 ILE CA C 13 59.572 0.3 A 36 ILE CB C 13 37.870 0.3 A 36 ILE CD1 C 13 11.832 0.3 A 36 ILE CG1 C 13 27.916 0.3 A 36 ILE CG2 C 13 17.467 0.3 A 36 ILE N N 15 120.260 0.3 A 37 VAL H H 1 7.963 0.03 A 37 VAL HA H 1 3.671 0.03 A 37 VAL HB H 1 2.013 0.03 A 37 VAL HG1% H 1 0.848 0.03 A 37 VAL HG2% H 1 0.617 0.03 A 37 VAL C C 13 176.530 0.3 A 37 VAL CA C 13 62.969 0.3 A 37 VAL CB C 13 32.201 0.3 A 37 VAL CG1 C 13 21.538 0.3 A 37 VAL CG2 C 13 22.171 0.3 A 37 VAL N N 15 126.533 0.3 A 38 SER H H 1 8.852 0.03 A 38 SER HA H 1 4.600 0.03 A 38 SER HBy H 1 4.532 0.03 A 38 SER HBx H 1 4.363 0.03 A 38 SER C C 13 174.950 0.3 A 38 SER CA C 13 58.147 0.3 A 38 SER CB C 13 65.224 0.3 A 38 SER N N 15 122.752 0.3 A 39 THR H H 1 8.870 0.03 A 39 THR HA H 1 4.153 0.03 A 39 THR HB H 1 4.271 0.03 A 39 THR HG2% H 1 1.401 0.03 A 39 THR C C 13 177.855 0.3 A 39 THR CA C 13 66.299 0.3 A 39 THR CB C 13 68.559 0.3 A 39 THR CG2 C 13 22.270 0.3 A 39 THR N N 15 116.391 0.3 A 40 VAL H H 1 8.018 0.03 A 40 VAL HA H 1 4.028 0.03 A 40 VAL HB H 1 2.057 0.03 A 40 VAL HG1% H 1 1.082 0.03 A 40 VAL HG2% H 1 1.149 0.03 A 40 VAL C C 13 178.339 0.3 A 40 VAL CA C 13 65.776 0.3 A 40 VAL CB C 13 32.139 0.3 A 40 VAL CG1 C 13 20.919 0.3 A 40 VAL CG2 C 13 22.224 0.3 A 40 VAL N N 15 121.035 0.3 A 41 ASP H H 1 7.610 0.03 A 41 ASP HA H 1 4.570 0.03 A 41 ASP HBy H 1 3.115 0.03 A 41 ASP HBx H 1 2.865 0.03 A 41 ASP C C 13 178.746 0.3 A 41 ASP CA C 13 57.492 0.3 A 41 ASP CB C 13 39.740 0.3 A 41 ASP N N 15 124.108 0.3 A 42 GLY H H 1 9.363 0.03 A 42 GLY HAy H 1 4.186 0.03 A 42 GLY HAx H 1 3.584 0.03 A 42 GLY C C 13 175.329 0.3 A 42 GLY CA C 13 46.944 0.3 A 42 GLY N N 15 109.572 0.3 A 43 ALA H H 1 7.949 0.03 A 43 ALA HA H 1 4.240 0.03 A 43 ALA HB% H 1 1.617 0.03 A 43 ALA C C 13 180.375 0.3 A 43 ALA CA C 13 54.897 0.3 A 43 ALA CB C 13 17.895 0.3 A 43 ALA N N 15 123.561 0.3 A 44 PHE H H 1 7.337 0.03 A 44 PHE HA H 1 3.957 0.03 A 44 PHE HBy H 1 3.534 0.03 A 44 PHE HBx H 1 3.366 0.03 A 44 PHE HDy H 1 6.990 0.03 A 44 PHE HDx H 1 6.989 0.03 A 44 PHE HEx H 1 7.138 0.03 A 44 PHE HEy H 1 7.138 0.03 A 44 PHE HZ H 1 6.950 0.03 A 44 PHE C C 13 177.252 0.3 A 44 PHE CA C 13 61.508 0.3 A 44 PHE CB C 13 38.993 0.3 A 44 PHE CDx C 13 132.278 0.3 A 44 PHE CDy C 13 132.278 0.3 A 44 PHE CEx C 13 130.837 0.3 A 44 PHE CEy C 13 130.837 0.3 A 44 PHE CZ C 13 129.162 0.3 A 44 PHE N N 15 118.542 0.3 A 45 LEU H H 1 8.301 0.03 A 45 LEU HA H 1 3.741 0.03 A 45 LEU HBx H 1 0.104 0.03 A 45 LEU HBy H 1 1.023 0.03 A 45 LEU HD1% H 1 -0.437 0.03 A 45 LEU HD2% H 1 0.151 0.03 A 45 LEU HG H 1 1.374 0.03 A 45 LEU C C 13 178.847 0.3 A 45 LEU CA C 13 57.643 0.3 A 45 LEU CB C 13 41.274 0.3 A 45 LEU CD1 C 13 25.165 0.3 A 45 LEU CD2 C 13 21.047 0.3 A 45 LEU CG C 13 25.336 0.3 A 45 LEU N N 15 119.345 0.3 A 46 VAL H H 1 8.562 0.03 A 46 VAL HA H 1 3.759 0.03 A 46 VAL HB H 1 2.247 0.03 A 46 VAL HG1% H 1 1.045 0.03 A 46 VAL HG2% H 1 1.203 0.03 A 46 VAL C C 13 177.077 0.3 A 46 VAL CA C 13 67.081 0.3 A 46 VAL CB C 13 31.639 0.3 A 46 VAL CG1 C 13 21.250 0.3 A 46 VAL CG2 C 13 23.584 0.3 A 46 VAL N N 15 118.458 0.3 A 47 GLU H H 1 6.896 0.03 A 47 GLU HA H 1 4.019 0.03 A 47 GLU HBy H 1 2.017 0.03 A 47 GLU HBx H 1 1.964 0.03 A 47 GLU HGy H 1 2.445 0.03 A 47 GLU HGx H 1 2.308 0.03 A 47 GLU C C 13 179.738 0.3 A 47 GLU CA C 13 58.582 0.3 A 47 GLU CB C 13 29.029 0.3 A 47 GLU CG C 13 36.328 0.3 A 47 GLU N N 15 117.916 0.3 A 48 ALA H H 1 8.310 0.03 A 48 ALA HA H 1 3.761 0.03 A 48 ALA HB% H 1 1.421 0.03 A 48 ALA C C 13 179.636 0.3 A 48 ALA CA C 13 55.769 0.3 A 48 ALA CB C 13 17.370 0.3 A 48 ALA N N 15 123.600 0.3 A 49 LEU H H 1 8.724 0.03 A 49 LEU HA H 1 3.924 0.03 A 49 LEU HBx H 1 1.319 0.03 A 49 LEU HBy H 1 1.791 0.03 A 49 LEU HD1% H 1 0.213 0.03 A 49 LEU HD2% H 1 0.388 0.03 A 49 LEU HG H 1 1.333 0.03 A 49 LEU C C 13 178.188 0.3 A 49 LEU CA C 13 57.387 0.3 A 49 LEU CB C 13 41.780 0.3 A 49 LEU CD1 C 13 22.883 0.3 A 49 LEU CD2 C 13 26.450 0.3 A 49 LEU CG C 13 26.531 0.3 A 49 LEU N N 15 119.812 0.3 A 50 LYS H H 1 7.421 0.03 A 50 LYS HA H 1 3.856 0.03 A 50 LYS HBx H 1 1.888 0.03 A 50 LYS HBy H 1 1.888 0.03 A 50 LYS HDx H 1 1.652 0.03 A 50 LYS HDy H 1 1.652 0.03 A 50 LYS HEy H 1 2.906 0.03 A 50 LYS HEx H 1 2.747 0.03 A 50 LYS HGy H 1 1.825 0.03 A 50 LYS HGx H 1 1.307 0.03 A 50 LYS C C 13 177.592 0.3 A 50 LYS CA C 13 59.345 0.3 A 50 LYS CB C 13 32.757 0.3 A 50 LYS CD C 13 30.028 0.3 A 50 LYS CE C 13 42.192 0.3 A 50 LYS CG C 13 26.503 0.3 A 50 LYS N N 15 115.568 0.3 A 51 ARG H H 1 7.787 0.03 A 51 ARG HA H 1 4.356 0.03 A 51 ARG HBy H 1 2.346 0.03 A 51 ARG HBx H 1 1.950 0.03 A 51 ARG HDx H 1 3.161 0.03 A 51 ARG HDy H 1 3.161 0.03 A 51 ARG HGx H 1 1.702 0.03 A 51 ARG HGy H 1 1.702 0.03 A 51 ARG C C 13 176.424 0.3 A 51 ARG CA C 13 55.690 0.3 A 51 ARG CB C 13 30.227 0.3 A 51 ARG CD C 13 43.455 0.3 A 51 ARG CG C 13 27.937 0.3 A 51 ARG N N 15 115.686 0.3 A 52 HIS H H 1 8.159 0.03 A 52 HIS HA H 1 4.512 0.03 A 52 HIS HBy H 1 3.259 0.03 A 52 HIS HBx H 1 3.099 0.03 A 52 HIS HE1 H 1 8.045 0.03 A 52 HIS C C 13 175.409 0.3 A 52 HIS CA C 13 56.087 0.3 A 52 HIS CB C 13 32.904 0.3 A 52 HIS CE1 C 13 139.255 0.3 A 52 HIS N N 15 125.025 0.3 A 53 PRO HA H 1 4.341 0.03 A 53 PRO HBy H 1 2.280 0.03 A 53 PRO HBx H 1 1.918 0.03 A 53 PRO HDy H 1 3.659 0.03 A 53 PRO HDx H 1 2.565 0.03 A 53 PRO HGy H 1 1.871 0.03 A 53 PRO HGx H 1 1.839 0.03 A 53 PRO CA C 13 65.210 0.3 A 53 PRO CB C 13 31.791 0.3 A 53 PRO CD C 13 50.868 0.3 A 53 PRO CG C 13 27.453 0.3 A 54 ASP H H 1 8.058 0.03 A 54 ASP HA H 1 5.184 0.03 A 54 ASP HBy H 1 2.995 0.03 A 54 ASP HBx H 1 2.488 0.03 A 54 ASP C C 13 176.079 0.3 A 54 ASP CA C 13 52.778 0.3 A 54 ASP CB C 13 41.573 0.3 A 55 ALA H H 1 7.731 0.03 A 55 ALA HA H 1 3.589 0.03 A 55 ALA HB% H 1 1.660 0.03 A 55 ALA C C 13 178.550 0.3 A 55 ALA CA C 13 57.024 0.3 A 55 ALA CB C 13 20.320 0.3 A 55 ALA N N 15 122.261 0.3 A 56 THR H H 1 8.405 0.03 A 56 THR HA H 1 3.804 0.03 A 56 THR HB H 1 4.104 0.03 A 56 THR HG2% H 1 1.212 0.03 A 56 THR C C 13 177.743 0.3 A 56 THR CA C 13 67.024 0.3 A 56 THR CB C 13 68.257 0.3 A 56 THR CG2 C 13 22.010 0.3 A 56 THR N N 15 110.600 0.3 A 57 SER H H 1 7.907 0.03 A 57 SER HA H 1 4.251 0.03 A 57 SER HBx H 1 3.864 0.03 A 57 SER HBy H 1 3.864 0.03 A 57 SER C C 13 176.547 0.3 A 57 SER CA C 13 60.395 0.3 A 57 SER CB C 13 62.766 0.3 A 57 SER N N 15 117.623 0.3 A 58 LYS H H 1 8.180 0.03 A 58 LYS HA H 1 3.687 0.03 A 58 LYS HBy H 1 1.630 0.03 A 58 LYS HBx H 1 1.266 0.03 A 58 LYS HDy H 1 1.362 0.03 A 58 LYS HDx H 1 1.013 0.03 A 58 LYS HEy H 1 2.804 0.03 A 58 LYS HEx H 1 2.750 0.03 A 58 LYS HGy H 1 1.192 0.03 A 58 LYS HGx H 1 0.532 0.03 A 58 LYS C C 13 178.074 0.3 A 58 LYS CA C 13 58.090 0.3 A 58 LYS CB C 13 32.328 0.3 A 58 LYS CD C 13 27.953 0.3 A 58 LYS CE C 13 42.360 0.3 A 58 LYS CG C 13 24.107 0.3 A 58 LYS N N 15 120.772 0.3 A 59 ILE H H 1 8.407 0.03 A 59 ILE HA H 1 3.336 0.03 A 59 ILE HB H 1 1.678 0.03 A 59 ILE HD1% H 1 0.714 0.03 A 59 ILE HG1y H 1 1.541 0.03 A 59 ILE HG1x H 1 0.688 0.03 A 59 ILE HG2% H 1 0.734 0.03 A 59 ILE C C 13 176.705 0.3 A 59 ILE CA C 13 64.224 0.3 A 59 ILE CB C 13 38.989 0.3 A 59 ILE CD1 C 13 13.387 0.3 A 59 ILE CG1 C 13 30.802 0.3 A 59 ILE CG2 C 13 16.637 0.3 A 59 ILE N N 15 119.024 0.3 A 60 GLY H H 1 7.360 0.03 A 60 GLY HAy H 1 3.884 0.03 A 60 GLY HAx H 1 3.614 0.03 A 60 GLY C C 13 173.964 0.3 A 60 GLY CA C 13 44.586 0.3 A 60 GLY N N 15 106.081 0.3 A 61 PRO HA H 1 4.486 0.03 A 61 PRO HBy H 1 2.216 0.03 A 61 PRO HBx H 1 1.977 0.03 A 61 PRO HDy H 1 3.774 0.03 A 61 PRO HDx H 1 3.688 0.03 A 61 PRO HGy H 1 1.949 0.03 A 61 PRO HGx H 1 1.918 0.03 A 61 PRO C C 13 175.603 0.3 A 61 PRO CA C 13 63.473 0.3 A 61 PRO CB C 13 31.981 0.3 A 61 PRO CD C 13 50.656 0.3 A 61 PRO CG C 13 26.106 0.3 A 62 GLY H H 1 7.835 0.03 A 62 GLY HAy H 1 4.378 0.03 A 62 GLY HAx H 1 3.416 0.03 A 62 GLY C C 13 172.596 0.3 A 62 GLY CA C 13 44.498 0.3 A 62 GLY N N 15 110.214 0.3 A 63 VAL H H 1 8.646 0.03 A 63 VAL HA H 1 3.668 0.03 A 63 VAL HB H 1 1.777 0.03 A 63 VAL HG1% H 1 0.119 0.03 A 63 VAL HG2% H 1 0.692 0.03 A 63 VAL C C 13 175.808 0.3 A 63 VAL CA C 13 63.681 0.3 A 63 VAL CB C 13 32.863 0.3 A 63 VAL CG1 C 13 20.900 0.3 A 63 VAL CG2 C 13 22.073 0.3 A 63 VAL N N 15 122.735 0.3 A 64 ARG H H 1 9.524 0.03 A 64 ARG HA H 1 4.254 0.03 A 64 ARG HBy H 1 1.560 0.03 A 64 ARG HBx H 1 1.240 0.03 A 64 ARG HDx H 1 3.140 0.03 A 64 ARG HDy H 1 3.140 0.03 A 64 ARG HGx H 1 1.558 0.03 A 64 ARG HGy H 1 1.558 0.03 A 64 ARG C C 13 175.574 0.3 A 64 ARG CA C 13 57.310 0.3 A 64 ARG CB C 13 31.928 0.3 A 64 ARG CD C 13 43.649 0.3 A 64 ARG CG C 13 26.638 0.3 A 64 ARG N N 15 129.782 0.3 A 65 ASN H H 1 8.089 0.03 A 65 ASN HA H 1 4.662 0.03 A 65 ASN HBy H 1 2.935 0.03 A 65 ASN HBx H 1 2.615 0.03 A 65 ASN HD21 H 1 7.416 0.03 A 65 ASN HD22 H 1 7.177 0.03 A 65 ASN C C 13 171.753 0.3 A 65 ASN CA C 13 53.279 0.3 A 65 ASN CB C 13 43.717 0.3 A 65 ASN N N 15 114.163 0.3 A 65 ASN ND2 N 15 112.280 0.3 A 66 PHE H H 1 9.064 0.03 A 66 PHE HA H 1 5.738 0.03 A 66 PHE HBy H 1 2.943 0.03 A 66 PHE HBx H 1 2.722 0.03 A 66 PHE HDy H 1 7.123 0.03 A 66 PHE HDx H 1 7.120 0.03 A 66 PHE HEx H 1 7.120 0.03 A 66 PHE HEy H 1 7.120 0.03 A 66 PHE HZ H 1 6.651 0.03 A 66 PHE C C 13 174.834 0.3 A 66 PHE CA C 13 56.578 0.3 A 66 PHE CB C 13 41.888 0.3 A 66 PHE CDx C 13 131.676 0.3 A 66 PHE CDy C 13 131.676 0.3 A 66 PHE CEx C 13 131.676 0.3 A 66 PHE CEy C 13 131.676 0.3 A 66 PHE CZ C 13 128.405 0.3 A 66 PHE N N 15 114.774 0.3 A 67 GLU H H 1 9.328 0.03 A 67 GLU HA H 1 5.307 0.03 A 67 GLU HBy H 1 1.912 0.03 A 67 GLU HBx H 1 1.848 0.03 A 67 GLU HGy H 1 2.144 0.03 A 67 GLU HGx H 1 2.059 0.03 A 67 GLU C C 13 174.999 0.3 A 67 GLU CA C 13 54.003 0.3 A 67 GLU CB C 13 35.678 0.3 A 67 GLU CG C 13 36.717 0.3 A 67 GLU N N 15 122.005 0.3 A 68 VAL H H 1 8.598 0.03 A 68 VAL HA H 1 4.859 0.03 A 68 VAL HB H 1 1.841 0.03 A 68 VAL HG1% H 1 0.588 0.03 A 68 VAL HG2% H 1 0.715 0.03 A 68 VAL C C 13 175.361 0.3 A 68 VAL CA C 13 62.102 0.3 A 68 VAL CB C 13 32.865 0.3 A 68 VAL CG1 C 13 21.487 0.3 A 68 VAL CG2 C 13 22.794 0.3 A 68 VAL N N 15 124.692 0.3 A 69 ARG H H 1 8.896 0.03 A 69 ARG HA H 1 4.888 0.03 A 69 ARG HBy H 1 1.841 0.03 A 69 ARG HBx H 1 1.501 0.03 A 69 ARG HDy H 1 2.357 0.03 A 69 ARG HDx H 1 0.892 0.03 A 69 ARG HGy H 1 1.508 0.03 A 69 ARG HGx H 1 1.113 0.03 A 69 ARG C C 13 175.469 0.3 A 69 ARG CA C 13 54.384 0.3 A 69 ARG CB C 13 34.979 0.3 A 69 ARG CD C 13 42.229 0.3 A 69 ARG CG C 13 27.663 0.3 A 69 ARG N N 15 123.599 0.3 A 70 SER H H 1 8.758 0.03 A 70 SER HA H 1 4.511 0.03 A 70 SER HBy H 1 3.896 0.03 A 70 SER HBx H 1 3.856 0.03 A 70 SER C C 13 173.488 0.3 A 70 SER CA C 13 59.858 0.3 A 70 SER CB C 13 63.927 0.3 A 70 SER N N 15 116.239 0.3 A 71 ALA H H 1 8.456 0.03 A 71 ALA HA H 1 4.688 0.03 A 71 ALA HB% H 1 1.351 0.03 A 71 ALA C C 13 176.054 0.3 A 71 ALA CA C 13 51.016 0.3 A 71 ALA CB C 13 20.324 0.3 A 71 ALA N N 15 128.999 0.3 A 72 ASP H H 1 7.968 0.03 A 72 ASP HA H 1 4.361 0.03 A 72 ASP HBy H 1 2.425 0.03 A 72 ASP HBx H 1 2.296 0.03 A 72 ASP C C 13 176.444 0.3 A 72 ASP CA C 13 54.732 0.3 A 72 ASP CB C 13 41.060 0.3 A 72 ASP N N 15 118.176 0.3 A 73 TYR H H 1 8.768 0.03 A 73 TYR HA H 1 4.309 0.03 A 73 TYR HBy H 1 3.194 0.03 A 73 TYR HBx H 1 3.104 0.03 A 73 TYR HDx H 1 7.114 0.03 A 73 TYR HDy H 1 7.114 0.03 A 73 TYR HEx H 1 6.870 0.03 A 73 TYR HEy H 1 6.870 0.03 A 73 TYR C C 13 176.601 0.3 A 73 TYR CA C 13 58.799 0.3 A 73 TYR CB C 13 36.239 0.3 A 73 TYR CDx C 13 133.293 0.3 A 73 TYR CDy C 13 133.293 0.3 A 73 TYR CEx C 13 118.377 0.3 A 73 TYR CEy C 13 118.377 0.3 A 73 TYR N N 15 117.846 0.3 A 74 GLY H H 1 8.533 0.03 A 74 GLY HAy H 1 4.069 0.03 A 74 GLY HAx H 1 3.844 0.03 A 74 GLY C C 13 175.060 0.3 A 74 GLY CA C 13 46.117 0.3 A 74 GLY N N 15 108.255 0.3 A 75 THR H H 1 7.534 0.03 A 75 THR HA H 1 4.687 0.03 A 75 THR HB H 1 4.389 0.03 A 75 THR HG2% H 1 1.282 0.03 A 75 THR C C 13 173.779 0.3 A 75 THR CA C 13 61.115 0.3 A 75 THR CB C 13 71.585 0.3 A 75 THR CG2 C 13 21.497 0.3 A 75 THR N N 15 111.431 0.3 A 76 GLN H H 1 8.590 0.03 A 76 GLN HA H 1 5.238 0.03 A 76 GLN HBy H 1 1.998 0.03 A 76 GLN HBx H 1 1.680 0.03 A 76 GLN HE21 H 1 5.929 0.03 A 76 GLN HE22 H 1 7.229 0.03 A 76 GLN HGy H 1 2.150 0.03 A 76 GLN HGx H 1 1.936 0.03 A 76 GLN C C 13 173.605 0.3 A 76 GLN CA C 13 54.556 0.3 A 76 GLN CB C 13 31.657 0.3 A 76 GLN CG C 13 33.366 0.3 A 76 GLN N N 15 117.495 0.3 A 76 GLN NE2 N 15 112.198 0.3 A 77 CYS H H 1 9.058 0.03 A 77 CYS HA H 1 4.780 0.03 A 77 CYS HBy H 1 3.104 0.03 A 77 CYS HBx H 1 2.957 0.03 A 77 CYS C C 13 172.371 0.3 A 77 CYS CA C 13 56.886 0.3 A 77 CYS CB C 13 31.492 0.3 A 77 CYS N N 15 114.572 0.3 A 78 PHE H H 1 8.872 0.03 A 78 PHE HA H 1 5.419 0.03 A 78 PHE HBy H 1 3.100 0.03 A 78 PHE HBx H 1 3.020 0.03 A 78 PHE HDx H 1 7.149 0.03 A 78 PHE HDy H 1 7.158 0.03 A 78 PHE HEy H 1 6.799 0.03 A 78 PHE HEx H 1 6.791 0.03 A 78 PHE HZ H 1 6.862 0.03 A 78 PHE CA C 13 58.466 0.3 A 78 PHE CB C 13 42.360 0.3 A 78 PHE CDx C 13 132.064 0.3 A 78 PHE CDy C 13 132.064 0.3 A 78 PHE CEx C 13 131.203 0.3 A 78 PHE CEy C 13 131.203 0.3 A 78 PHE CZ C 13 130.003 0.3 A 78 PHE N N 15 120.396 0.3 A 79 TRP H H 1 10.003 0.03 A 79 TRP HA H 1 4.907 0.03 A 79 TRP HBx H 1 2.949 0.03 A 79 TRP HBy H 1 2.958 0.03 A 79 TRP HD1 H 1 7.130 0.03 A 79 TRP HE1 H 1 10.262 0.03 A 79 TRP HE3 H 1 7.222 0.03 A 79 TRP HH2 H 1 7.231 0.03 A 79 TRP HZ2 H 1 7.435 0.03 A 79 TRP HZ3 H 1 6.946 0.03 A 79 TRP CA C 13 57.535 0.3 A 79 TRP CB C 13 30.788 0.3 A 79 TRP CD1 C 13 124.851 0.3 A 79 TRP CE3 C 13 120.141 0.3 A 79 TRP CH2 C 13 124.836 0.3 A 79 TRP CZ2 C 13 114.430 0.3 A 79 TRP CZ3 C 13 122.143 0.3 A 79 TRP N N 15 120.993 0.3 A 79 TRP NE1 N 15 130.369 0.3 A 80 ILE H H 1 9.669 0.03 A 80 ILE HA H 1 3.773 0.03 A 80 ILE HB H 1 1.859 0.03 A 80 ILE HD1% H 1 0.536 0.03 A 80 ILE HG1y H 1 1.761 0.03 A 80 ILE HG1x H 1 0.752 0.03 A 80 ILE HG2% H 1 0.615 0.03 A 80 ILE C C 13 174.675 0.3 A 80 ILE CA C 13 61.505 0.3 A 80 ILE CB C 13 40.765 0.3 A 80 ILE CD1 C 13 15.872 0.3 A 80 ILE CG1 C 13 28.436 0.3 A 80 ILE CG2 C 13 19.289 0.3 A 80 ILE N N 15 122.205 0.3 A 81 LEU H H 1 8.489 0.03 A 81 LEU HA H 1 5.037 0.03 A 81 LEU HBy H 1 1.670 0.03 A 81 LEU HBx H 1 1.606 0.03 A 81 LEU HD1% H 1 0.843 0.03 A 81 LEU HD2% H 1 0.822 0.03 A 81 LEU HG H 1 1.676 0.03 A 81 LEU C C 13 177.301 0.3 A 81 LEU CA C 13 53.483 0.3 A 81 LEU CB C 13 40.344 0.3 A 81 LEU CD1 C 13 24.795 0.3 A 81 LEU CD2 C 13 23.855 0.3 A 81 LEU CG C 13 28.032 0.3 A 81 LEU N N 15 127.849 0.3 A 82 ARG H H 1 8.980 0.03 A 82 ARG HA H 1 5.127 0.03 A 82 ARG HBy H 1 2.204 0.03 A 82 ARG HBx H 1 1.837 0.03 A 82 ARG HDy H 1 3.272 0.03 A 82 ARG HDx H 1 2.999 0.03 A 82 ARG HGy H 1 1.502 0.03 A 82 ARG HGx H 1 1.370 0.03 A 82 ARG C C 13 179.527 0.3 A 82 ARG CA C 13 57.410 0.3 A 82 ARG CB C 13 31.995 0.3 A 82 ARG CD C 13 43.543 0.3 A 82 ARG CG C 13 30.292 0.3 A 82 ARG N N 15 121.829 0.3 A 83 THR H H 1 8.427 0.03 A 83 THR HA H 1 3.823 0.03 A 83 THR HB H 1 4.293 0.03 A 83 THR HG2% H 1 0.982 0.03 A 83 THR C C 13 174.540 0.3 A 83 THR CA C 13 64.441 0.3 A 83 THR CB C 13 67.987 0.3 A 83 THR CG2 C 13 22.165 0.3 A 83 THR N N 15 111.631 0.3 A 84 ASP H H 1 7.431 0.03 A 84 ASP HA H 1 4.706 0.03 A 84 ASP HBy H 1 3.169 0.03 A 84 ASP HBx H 1 2.529 0.03 A 84 ASP C C 13 177.092 0.3 A 84 ASP CA C 13 52.983 0.3 A 84 ASP CB C 13 40.502 0.3 A 84 ASP N N 15 117.630 0.3 A 85 GLY H H 1 7.924 0.03 A 85 GLY HAx H 1 3.741 0.03 A 85 GLY HAy H 1 4.364 0.03 A 85 GLY C C 13 174.007 0.3 A 85 GLY CA C 13 45.370 0.3 A 85 GLY N N 15 108.078 0.3 A 86 SER H H 1 8.009 0.03 A 86 SER HA H 1 4.563 0.03 A 86 SER HBy H 1 4.134 0.03 A 86 SER HBx H 1 3.982 0.03 A 86 SER C C 13 172.835 0.3 A 86 SER CA C 13 58.731 0.3 A 86 SER CB C 13 64.803 0.3 A 86 SER N N 15 117.029 0.3 A 87 GLU H H 1 8.593 0.03 A 87 GLU HA H 1 5.921 0.03 A 87 GLU HBy H 1 2.345 0.03 A 87 GLU HBx H 1 2.155 0.03 A 87 GLU HGx H 1 2.406 0.03 A 87 GLU HGy H 1 2.406 0.03 A 87 GLU C C 13 175.873 0.3 A 87 GLU CA C 13 54.343 0.3 A 87 GLU CB C 13 33.925 0.3 A 87 GLU CG C 13 35.224 0.3 A 87 GLU N N 15 116.585 0.3 A 88 GLU HA H 1 4.496 0.03 A 88 GLU HBy H 1 2.006 0.03 A 88 GLU HBx H 1 1.669 0.03 A 88 GLU HGx H 1 2.282 0.03 A 88 GLU HGy H 1 2.282 0.03 A 88 GLU CA C 13 55.840 0.3 A 88 GLU CB C 13 34.310 0.3 A 88 GLU CG C 13 35.895 0.3 A 89 ARG H H 1 8.013 0.03 A 89 ARG HA H 1 3.184 0.03 A 89 ARG HBy H 1 0.935 0.03 A 89 ARG HBx H 1 0.560 0.03 A 89 ARG HDy H 1 3.072 0.03 A 89 ARG HDx H 1 2.964 0.03 A 89 ARG HGy H 1 1.036 0.03 A 89 ARG HGx H 1 0.923 0.03 A 89 ARG CA C 13 56.576 0.3 A 89 ARG CB C 13 30.462 0.3 A 89 ARG CD C 13 43.827 0.3 A 89 ARG CG C 13 26.722 0.3 A 89 ARG N N 15 127.945 0.3 A 90 PHE HA H 1 5.021 0.03 A 90 PHE HBy H 1 3.148 0.03 A 90 PHE HBx H 1 2.854 0.03 A 90 PHE HDy H 1 6.982 0.03 A 90 PHE HDx H 1 6.977 0.03 A 90 PHE HEx H 1 7.127 0.03 A 90 PHE HEy H 1 7.127 0.03 A 90 PHE HZ H 1 6.862 0.03 A 90 PHE CA C 13 55.089 0.3 A 90 PHE CB C 13 40.446 0.3 A 90 PHE CDy C 13 130.813 0.3 A 90 PHE CDx C 13 130.772 0.3 A 90 PHE CEx C 13 131.231 0.3 A 90 PHE CEy C 13 131.231 0.3 A 90 PHE CZ C 13 128.754 0.3 A 91 SER HA H 1 4.639 0.03 A 91 SER HBy H 1 3.966 0.03 A 91 SER HBx H 1 3.965 0.03 A 91 SER CA C 13 56.242 0.3 A 91 SER CB C 13 62.621 0.3 A 92 TYR HA H 1 4.268 0.03 A 92 TYR HBy H 1 3.438 0.03 A 92 TYR HBx H 1 2.367 0.03 A 92 TYR HDx H 1 7.152 0.03 A 92 TYR HDy H 1 7.152 0.03 A 92 TYR HEx H 1 6.865 0.03 A 92 TYR HEy H 1 6.865 0.03 A 92 TYR C C 13 176.450 0.3 A 92 TYR CA C 13 59.575 0.3 A 92 TYR CB C 13 37.283 0.3 A 92 TYR CDx C 13 133.494 0.3 A 92 TYR CDy C 13 133.494 0.3 A 92 TYR CEx C 13 118.168 0.3 A 92 TYR CEy C 13 118.168 0.3 A 93 LYS H H 1 7.405 0.03 A 93 LYS HA H 1 3.749 0.03 A 93 LYS HBy H 1 1.655 0.03 A 93 LYS HBx H 1 1.440 0.03 A 93 LYS HDy H 1 1.555 0.03 A 93 LYS HDx H 1 1.478 0.03 A 93 LYS HEy H 1 2.872 0.03 A 93 LYS HEx H 1 2.828 0.03 A 93 LYS HGy H 1 0.987 0.03 A 93 LYS HGx H 1 0.761 0.03 A 93 LYS C C 13 177.715 0.3 A 93 LYS CA C 13 58.446 0.3 A 93 LYS CB C 13 31.822 0.3 A 93 LYS CD C 13 29.470 0.3 A 93 LYS CE C 13 42.044 0.3 A 93 LYS CG C 13 25.872 0.3 A 93 LYS N N 15 120.689 0.3 A 94 LYS H H 1 7.405 0.03 A 94 LYS HA H 1 4.079 0.03 A 94 LYS HBy H 1 1.646 0.03 A 94 LYS HBx H 1 1.500 0.03 A 94 LYS HDy H 1 1.772 0.03 A 94 LYS HDx H 1 1.652 0.03 A 94 LYS HEx H 1 2.957 0.03 A 94 LYS HEy H 1 2.957 0.03 A 94 LYS HGy H 1 1.505 0.03 A 94 LYS HGx H 1 1.279 0.03 A 94 LYS C C 13 176.709 0.3 A 94 LYS CA C 13 56.479 0.3 A 94 LYS CB C 13 32.760 0.3 A 94 LYS CD C 13 29.356 0.3 A 94 LYS CE C 13 42.193 0.3 A 94 LYS CG C 13 25.865 0.3 A 94 LYS N N 15 115.712 0.3 A 95 CYS H H 1 7.537 0.03 A 95 CYS HA H 1 3.937 0.03 A 95 CYS HBy H 1 2.966 0.03 A 95 CYS HBx H 1 2.912 0.03 A 95 CYS C C 13 173.487 0.3 A 95 CYS CA C 13 61.795 0.3 A 95 CYS CB C 13 27.546 0.3 A 95 CYS N N 15 115.586 0.3 A 96 VAL HA H 1 4.154 0.03 A 96 VAL HB H 1 2.212 0.03 A 96 VAL HG1% H 1 0.868 0.03 A 96 VAL HG2% H 1 0.893 0.03 A 96 VAL C C 13 175.216 0.3 A 96 VAL CA C 13 61.916 0.3 A 96 VAL CB C 13 31.695 0.3 A 96 VAL CG1 C 13 21.877 0.3 A 96 VAL CG2 C 13 20.455 0.3 A 97 LEU H H 1 8.002 0.03 A 97 LEU HA H 1 4.316 0.03 A 97 LEU HBy H 1 1.605 0.03 A 97 LEU HBx H 1 1.443 0.03 A 97 LEU HD1% H 1 0.834 0.03 A 97 LEU HD2% H 1 0.777 0.03 A 97 LEU HG H 1 1.564 0.03 A 97 LEU C C 13 176.168 0.3 A 97 LEU CA C 13 54.770 0.3 A 97 LEU CB C 13 42.558 0.3 A 97 LEU CD1 C 13 25.775 0.3 A 97 LEU CD2 C 13 23.243 0.3 A 97 LEU CG C 13 26.427 0.3 A 97 LEU N N 15 124.364 0.3 A 98 GLU H H 1 8.345 0.03 A 98 GLU HA H 1 4.301 0.03 A 98 GLU HBy H 1 1.963 0.03 A 98 GLU HBx H 1 1.853 0.03 A 98 GLU HGx H 1 2.188 0.03 A 98 GLU HGy H 1 2.188 0.03 A 98 GLU C C 13 175.732 0.3 A 98 GLU CA C 13 55.988 0.3 A 98 GLU CB C 13 30.989 0.3 A 98 GLU CG C 13 36.236 0.3 A 98 GLU N N 15 119.454 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 82 ARG H A 87 GLU HA 1.0 1.8 4.24 2 2 A 66 PHE HA A 79 TRP H 1.0 1.8 6.12 3 3 A 66 PHE HA A 81 LEU H 1.0 1.8 5.04 4 4 A 66 PHE HA A 66 PHE HDx 1.0 1.8 4.29 5 5 A 66 PHE HA A 80 ILE HA 1.0 1.8 4.72 6 6 A 66 PHE HA A 81 LEU HBy 1.0 1.8 5.23 7 7 A 66 PHE HA A 81 LEU HD2% 1.0 1.8 4.85 8 8 A 66 PHE HA A 37 VAL HG2% 1.0 1.8 5.14 9 9 A 79 TRP H A 78 PHE HA 1.0 1.8 4.09 10 10 A 78 PHE HA A 78 PHE HDy 1.0 1.8 4.29 11 11 A 78 PHE HA A 68 VAL HA 1.0 1.8 4.75 12 12 A 78 PHE HA A 77 CYS HA 1.0 1.8 5.28 13 13 A 78 PHE HA A 68 VAL HG2% 1.0 1.8 4.93 14 14 A 8 GLU HA A 13 GLU HA 1.0 1.8 4.47 15 15 A 67 GLU HA A 68 VAL H 1.0 1.8 3.96 16 16 A 67 GLU HA A 36 ILE HA 1.0 1.8 3.98 17 17 A 67 GLU HA A 37 VAL HA 1.0 1.8 6.33 18 18 A 67 GLU HA A 66 PHE HBx 1.0 1.8 5.99 19 19 A 67 GLU HA A 79 TRP HBx 1.0 1.8 6.33 20 20 A 67 GLU HA A 36 ILE HD1% 1.0 1.8 5.52 21 21 A 81 LEU HD2% A 67 GLU HA 1.0 1.8 6.28 22 22 A 37 VAL HG2% A 67 GLU HA 1.0 1.8 4.44 23 23 A 87 GLU HA A 81 LEU HA 1.0 1.8 4.60 24 24 A 81 LEU HA A 81 LEU HD1% 1.0 1.8 4.34 25 25 A 90 PHE HA A 90 PHE HDx 1.0 1.8 5.64 26 26 A 32 ARG HA A 76 GLN HE22 1.0 1.8 5.00 27 27 A 32 ARG HA A 33 PRO HDy 1.0 1.8 3.81 28 28 A 32 ARG HA A 33 PRO HDx 1.0 1.8 3.92 29 29 A 14 PHE HA A 15 ALA H 1.0 1.8 3.94 30 30 A 14 PHE HA A 14 PHE HDx 1.0 1.8 3.94 31 31 A 14 PHE HA A 15 ALA HB% 1.0 1.8 4.57 32 32 A 39 THR HB A 41 ASP H 1.0 1.8 6.28 33 33 A 39 THR HB A 40 VAL HG2% 1.0 1.8 4.91 34 34 A 55 ALA HB% A 56 THR HB 1.0 1.8 5.29 35 35 A 6 PRO HA A 14 PHE H 1.0 1.8 5.73 36 36 A 6 PRO HA A 15 ALA HA 1.0 1.8 4.23 37 37 A 40 VAL HG2% A 38 SER HBy 1.0 1.8 5.89 38 38 A 40 VAL HG2% A 38 SER HBx 1.0 1.8 5.89 39 39 A 87 GLU H A 86 SER HBx 1.0 1.8 4.69 40 40 A 39 THR HB A 40 VAL HA 1.0 1.8 4.86 41 41 A 40 VAL HA A 39 THR HG2% 1.0 1.8 5.04 42 42 A 39 THR HA A 42 GLY H 1.0 1.8 5.03 43 43 A 39 THR HA A 38 SER HA 1.0 1.8 5.07 44 44 A 39 THR HG2% A 39 THR HA 1.0 1.8 3.73 45 45 A 67 GLU H A 79 TRP HA 1.0 1.8 5.88 46 46 A 64 ARG HA A 65 ASN HA 1.0 1.8 5.62 47 47 A 5 GLN HA A 6 PRO HDx 1.0 1.8 3.25 48 48 A 81 LEU HBy A 65 ASN HA 1.0 1.8 5.32 49 49 A 61 PRO HGx A 84 ASP HA 1.0 1.8 4.17 50 50 A 35 ASP HA A 36 ILE HB 1.0 1.8 5.74 51 51 A 31 TYR HA A 31 TYR HDx 1.0 1.8 4.29 52 52 A 70 SER HA A 77 CYS H 1.0 1.8 4.91 53 53 A 70 SER HA A 76 GLN HA 1.0 1.8 3.85 54 54 A 70 SER HA A 76 GLN HGx 1.0 1.8 4.85 55 55 A 70 SER HA A 76 GLN HGy 1.0 1.8 4.58 56 56 A 70 SER HA A 71 ALA HB% 1.0 1.8 4.66 57 57 A 38 SER HA A 40 VAL H 1.0 1.8 5.83 58 58 A 76 GLN HE22 A 29 ASN HA 1.0 1.8 4.13 59 59 A 29 ASN HA A 28 LEU HG 1.0 1.8 5.05 60 60 A 29 ASN HA A 28 LEU HD2% 1.0 1.8 5.78 61 61 A 41 ASP HA A 44 PHE HBy 1.0 1.8 4.77 62 62 A 41 ASP HA A 27 MET HE% 1.0 1.8 4.30 63 63 A 33 PRO HDy A 32 ARG HBx 1.0 1.8 4.30 64 64 A 33 PRO HDy A 68 VAL HG1% 1.0 1.8 5.99 65 65 A 60 GLY H A 61 PRO HDy 1.0 1.8 5.74 66 66 A 60 GLY H A 61 PRO HDx 1.0 1.8 5.74 67 67 A 33 PRO HDx A 32 ARG HBx 1.0 1.8 4.24 68 68 A 79 TRP HA A 89 ARG HA 1.0 1.8 4.42 69 69 A 55 ALA HA A 58 LYS H 1.0 1.8 4.92 70 70 A 55 ALA HA A 52 HIS HBx 1.0 1.8 5.18 71 71 A 55 ALA HA A 59 ILE HD1% 1.0 1.8 5.13 72 72 A 55 ALA HA A 49 LEU HD1% 1.0 1.8 5.11 73 73 A 27 MET HA A 78 PHE HZ 1.0 1.8 5.72 74 74 A 27 MET HA A 26 VAL HG1% 1.0 1.8 4.90 75 75 A 24 MET HA A 78 PHE HEy 1.0 1.8 4.74 76 76 A 24 MET HA A 24 MET HGy 1.0 1.8 4.52 77 77 A 24 MET HA A 24 MET HGx 1.0 1.8 4.52 78 78 A 50 LYS HA A 52 HIS H 1.0 1.8 5.67 79 79 A 55 ALA HB% A 50 LYS HA 1.0 1.8 3.59 80 80 A 50 LYS HA A 49 LEU HG 1.0 1.8 4.53 81 81 A 59 ILE HD1% A 50 LYS HA 1.0 1.8 4.30 82 82 A 21 LEU HA A 92 TYR HDy 1.0 1.8 5.07 83 83 A 21 LEU HA A 24 MET HBy 1.0 1.8 4.74 84 84 A 9 ILE HG2% A 47 GLU HA 1.0 1.8 5.39 85 85 A 49 LEU HA A 51 ARG H 1.0 1.8 5.46 86 86 A 49 LEU HA A 90 PHE HEy 1.0 1.8 5.20 87 87 A 49 LEU HA A 49 LEU HD2% 1.0 1.8 4.60 88 88 A 49 LEU HD1% A 49 LEU HA 1.0 1.8 3.92 89 89 A 9 ILE HD1% A 48 ALA HA 1.0 1.8 4.58 90 90 A 9 ILE HG2% A 48 ALA HA 1.0 1.8 4.59 91 91 A 94 LYS HA A 94 LYS HEx 1.0 1.8 6.33 92 92 A 94 LYS HA A 94 LYS HEy 1.0 1.8 6.33 93 93 A 94 LYS HA A 94 LYS HGy 1.0 1.8 4.31 94 94 A 94 LYS HA A 94 LYS HGx 1.0 1.8 4.31 95 95 A 18 ALA HA A 21 LEU HG 1.0 1.8 4.07 96 96 A 43 ALA HA A 46 VAL HB 1.0 1.8 4.29 97 97 A 43 ALA HA A 46 VAL HG1% 1.0 1.8 4.68 98 98 A 64 ARG HA A 83 THR H 1.0 1.8 5.76 99 99 A 64 ARG HA A 64 ARG HDx 1.0 1.8 6.33 100 100 A 64 ARG HA A 64 ARG HDy 1.0 1.8 6.33 101 101 A 64 ARG HA A 64 ARG HGx 1.0 1.8 4.65 102 102 A 64 ARG HA A 64 ARG HGy 1.0 1.8 4.65 103 103 A 64 ARG HA A 83 THR HG2% 1.0 1.8 4.37 104 104 A 64 ARG HA A 63 VAL HG1% 1.0 1.8 5.62 105 105 A 73 TYR HA A 73 TYR HDy 1.0 1.8 5.74 106 106 A 90 PHE HEy A 92 TYR HA 1.0 1.8 4.32 107 107 A 6 PRO HA A 7 ILE HA 1.0 1.8 5.18 108 108 A 7 ILE HA A 7 ILE HG1y 1.0 1.8 4.46 109 109 A 56 THR HG2% A 57 SER HA 1.0 1.8 4.95 110 110 A 7 ILE HA A 7 ILE HG1x 1.0 1.8 4.57 111 111 A 14 PHE HEx A 23 PHE HA 1.0 1.8 6.01 112 112 A 23 PHE HA A 23 PHE HDx 1.0 1.8 4.44 113 113 A 23 PHE HA A 26 VAL HB 1.0 1.8 4.29 114 114 A 23 PHE HA A 22 ALA HB% 1.0 1.8 5.04 115 115 A 26 VAL HG1% A 23 PHE HA 1.0 1.8 5.27 116 116 A 9 ILE HA A 11 GLY H 1.0 1.8 5.62 117 117 A 9 ILE HA A 47 GLU HBy 1.0 1.8 5.15 118 118 A 9 ILE HA A 9 ILE HG1x 1.0 1.8 4.43 119 119 A 9 ILE HA A 9 ILE HG1y 1.0 1.8 4.39 120 120 A 9 ILE HG2% A 9 ILE HA 1.0 1.8 4.00 121 121 A 95 CYS H A 96 VAL HA 1.0 1.8 5.18 122 122 A 96 VAL HA A 17 LYS HBy 1.0 1.8 5.72 123 123 A 44 PHE HA A 47 GLU H 1.0 1.8 4.50 124 124 A 47 GLU HBy A 44 PHE HA 1.0 1.8 4.77 125 125 A 44 PHE HA A 9 ILE HB 1.0 1.8 5.95 126 126 A 44 PHE HA A 10 ALA HB% 1.0 1.8 3.81 127 127 A 95 CYS HA A 96 VAL HG2% 1.0 1.8 5.69 128 128 A 9 ILE HG2% A 44 PHE HA 1.0 1.8 5.14 129 129 A 94 LYS H A 91 SER HBy 1.0 1.8 5.82 130 130 A 94 LYS H A 91 SER HBx 1.0 1.8 5.82 131 131 A 46 VAL HA A 66 PHE HEx 1.0 1.8 4.70 132 132 A 46 VAL HA A 49 LEU HBy 1.0 1.8 4.11 133 133 A 46 VAL HA A 63 VAL HG2% 1.0 1.8 4.75 134 134 A 49 LEU HD2% A 46 VAL HA 1.0 1.8 4.58 135 135 A 56 THR HA A 59 ILE HB 1.0 1.8 4.51 136 136 A 56 THR HG2% A 56 THR HA 1.0 1.8 3.78 137 137 A 59 ILE HD1% A 56 THR HA 1.0 1.8 4.70 138 138 A 63 VAL HA A 82 ARG HA 1.0 1.8 4.14 139 139 A 63 VAL HA A 64 ARG HBy 1.0 1.8 6.05 140 140 A 63 VAL HA A 64 ARG HBx 1.0 1.8 6.05 141 141 A 83 THR HG2% A 63 VAL HA 1.0 1.8 5.64 142 142 A 37 VAL HA A 31 TYR HEx 1.0 1.8 4.91 143 143 A 37 VAL HA A 31 TYR HEy 1.0 1.8 5.20 144 144 A 36 ILE HA A 37 VAL HA 1.0 1.8 5.04 145 145 A 37 VAL HA A 37 VAL HG1% 1.0 1.8 3.91 146 146 A 37 VAL HG2% A 37 VAL HA 1.0 1.8 3.92 147 147 A 59 ILE HA A 59 ILE HG1y 1.0 1.8 4.16 148 148 A 49 LEU HG A 59 ILE HA 1.0 1.8 6.33 149 149 A 59 ILE HA A 59 ILE HG2% 1.0 1.8 3.52 150 150 A 59 ILE HA A 59 ILE HG1x 1.0 1.8 4.16 151 151 A 49 LEU HD2% A 59 ILE HA 1.0 1.8 4.86 152 152 A 81 LEU H A 80 ILE HA 1.0 1.8 4.01 153 153 A 80 ILE HA A 66 PHE HEy 1.0 1.8 5.05 154 154 A 66 PHE HDx A 80 ILE HA 1.0 1.8 5.31 155 155 A 80 ILE HA A 66 PHE HBx 1.0 1.8 5.91 156 156 A 80 ILE HA A 80 ILE HG1y 1.0 1.8 4.73 157 157 A 80 ILE HA A 63 VAL HG1% 1.0 1.8 6.13 158 158 A 17 LYS HA A 19 ASP HBx 1.0 1.8 5.98 159 159 A 17 LYS HA A 7 ILE HB 1.0 1.8 4.59 160 160 A 7 ILE HG1y A 17 LYS HA 1.0 1.8 4.50 161 161 A 17 LYS HA A 20 ALA HB% 1.0 1.8 3.91 162 162 A 78 PHE HZ A 28 LEU HA 1.0 1.8 4.07 163 163 A 21 LEU HA A 93 LYS HA 1.0 1.8 5.66 164 164 A 45 LEU HA A 45 LEU HG 1.0 1.8 3.71 165 165 A 93 LYS HA A 21 LEU HD2% 1.0 1.8 3.54 166 166 A 68 VAL HG2% A 28 LEU HA 1.0 1.8 4.24 167 167 A 72 ASP HA A 74 GLY H 1.0 1.8 6.29 168 168 A 71 ALA HB% A 72 ASP HA 1.0 1.8 5.00 169 169 A 12 HIS HA A 12 HIS HD2 1.0 1.8 5.53 170 170 A 12 HIS HA A 14 PHE HEy 1.0 1.8 6.33 171 171 A 97 LEU HA A 97 LEU HD2% 1.0 1.8 3.46 172 172 A 97 LEU HD2% A 98 GLU HA 1.0 1.8 5.37 173 173 A 52 HIS HA A 53 PRO HDx 1.0 1.8 4.04 174 174 A 52 HIS HA A 53 PRO HBx 1.0 1.8 5.65 175 175 A 15 ALA HA A 7 ILE H 1.0 1.8 5.42 176 176 A 14 PHE HA A 15 ALA HA 1.0 1.8 5.28 177 177 A 22 ALA HA A 25 LYS HA 1.0 1.8 6.33 178 178 A 15 ALA HA A 6 PRO HBy 1.0 1.8 5.06 179 179 A 22 ALA HA A 25 LYS HBy 1.0 1.8 3.75 180 180 A 22 ALA HA A 26 VAL HG2% 1.0 1.8 5.19 181 181 A 10 ALA HA A 47 GLU HBx 1.0 1.8 5.83 182 182 A 47 GLU HBy A 10 ALA HA 1.0 1.8 6.19 183 183 A 9 ILE HG2% A 10 ALA HA 1.0 1.8 5.50 184 184 A 51 ARG HA A 51 ARG HDx 1.0 1.8 6.26 185 185 A 51 ARG HA A 51 ARG HDy 1.0 1.8 6.26 186 186 A 59 ILE HG2% A 62 GLY HAy 1.0 1.8 4.43 187 187 A 42 GLY HAx A 45 LEU H 1.0 1.8 5.70 188 188 A 42 GLY HAx A 66 PHE HDy 1.0 1.8 4.69 189 189 A 39 THR HG2% A 42 GLY HAx 1.0 1.8 5.78 190 190 A 42 GLY HAx A 45 LEU HBx 1.0 1.8 5.30 191 191 A 37 VAL HG2% A 42 GLY HAx 1.0 1.8 5.95 192 192 A 63 VAL HG1% A 42 GLY HAx 1.0 1.8 6.16 193 193 A 42 GLY HAx A 45 LEU HD1% 1.0 1.8 5.24 194 194 A 60 GLY HAx A 61 PRO HGy 1.0 1.8 5.28 195 195 A 59 ILE HG2% A 60 GLY HAx 1.0 1.8 5.82 196 196 A 84 ASP H A 85 GLY HAx 1.0 1.8 6.00 197 197 A 45 LEU H A 42 GLY HAy 1.0 1.8 5.38 198 198 A 66 PHE HDy A 42 GLY HAy 1.0 1.8 4.52 199 199 A 45 LEU HBx A 42 GLY HAy 1.0 1.8 4.95 200 200 A 37 VAL HG1% A 42 GLY HAy 1.0 1.8 5.24 201 201 A 37 VAL HG2% A 42 GLY HAy 1.0 1.8 5.29 202 202 A 42 GLY HAy A 45 LEU HBy 1.0 1.8 5.57 203 203 A 45 LEU HD1% A 42 GLY HAy 1.0 1.8 4.96 204 204 A 59 ILE HG2% A 60 GLY HAy 1.0 1.8 5.90 205 205 A 59 ILE HG2% A 62 GLY HAx 1.0 1.8 4.43 206 206 A 44 PHE HBy A 10 ALA HB% 1.0 1.8 4.97 207 207 A 41 ASP HA A 44 PHE HBx 1.0 1.8 5.52 208 208 A 10 ALA HB% A 44 PHE HBx 1.0 1.8 5.49 209 209 A 55 ALA H A 52 HIS HBx 1.0 1.8 5.26 210 210 A 73 TYR HBy A 75 THR HG2% 1.0 1.8 6.03 211 211 A 37 VAL HB A 41 ASP HBx 1.0 1.8 6.28 212 212 A 26 VAL HA A 29 ASN HBy 1.0 1.8 4.82 213 213 A 26 VAL HA A 29 ASN HBx 1.0 1.8 4.88 214 214 A 26 VAL HG1% A 29 ASN HBx 1.0 1.8 5.78 215 215 A 15 ALA H A 19 ASP HBy 1.0 1.8 5.75 216 216 A 19 ASP HBy A 16 ARG H 1.0 1.8 4.92 217 217 A 14 PHE HDx A 19 ASP HBy 1.0 1.8 4.59 218 218 A 19 ASP HBy A 20 ALA H 1.0 1.8 4.92 219 219 A 19 ASP HBy A 14 PHE HBx 1.0 1.8 4.08 220 220 A 15 ALA HB% A 19 ASP HBy 1.0 1.8 6.05 221 221 A 20 ALA HB% A 19 ASP HBy 1.0 1.8 5.98 222 222 A 15 ALA H A 19 ASP HBx 1.0 1.8 5.39 223 223 A 19 ASP HBx A 16 ARG H 1.0 1.8 4.93 224 224 A 7 ILE HB A 14 PHE HBx 1.0 1.8 4.81 225 225 A 15 ALA HB% A 14 PHE HBx 1.0 1.8 5.52 226 226 A 61 PRO HGx A 84 ASP HBy 1.0 1.8 5.18 227 227 A 14 PHE HEx A 23 PHE HBy 1.0 1.8 4.89 228 228 A 37 VAL HB A 41 ASP HBy 1.0 1.8 6.28 229 229 A 14 PHE HEx A 23 PHE HBx 1.0 1.8 4.89 230 230 A 61 PRO HGx A 84 ASP HBx 1.0 1.8 5.18 231 231 A 73 TYR HDy A 72 ASP HBy 1.0 1.8 5.29 232 232 A 71 ALA HB% A 72 ASP HBy 1.0 1.8 5.72 233 233 A 73 TYR HDy A 72 ASP HBx 1.0 1.8 5.29 234 234 A 71 ALA HB% A 72 ASP HBx 1.0 1.8 5.72 235 235 A 54 ASP H A 54 ASP HBx 1.0 1.8 4.60 236 236 A 65 ASN HBy A 81 LEU HBx 1.0 1.8 6.33 237 237 A 36 ILE HD1% A 65 ASN HBy 1.0 1.8 4.66 238 238 A 31 TYR H A 30 ARG HDy 1.0 1.8 5.87 239 239 A 30 ARG HBy A 30 ARG HDy 1.0 1.8 4.72 240 240 A 30 ARG HBx A 30 ARG HDy 1.0 1.8 4.72 241 241 A 65 ASN HBx A 66 PHE H 1.0 1.8 4.39 242 242 A 30 ARG HBy A 30 ARG HDx 1.0 1.8 4.72 243 243 A 30 ARG HDx A 30 ARG HBx 1.0 1.8 4.72 244 244 A 48 ALA HA A 51 ARG HDx 1.0 1.8 5.27 245 245 A 48 ALA HA A 51 ARG HDy 1.0 1.8 5.27 246 246 A 16 ARG HA A 16 ARG HDx 1.0 1.8 5.66 247 247 A 16 ARG HA A 16 ARG HDy 1.0 1.8 5.66 248 248 A 9 ILE HG2% A 10 ALA H 1.0 1.8 4.78 249 249 A 9 ILE HG2% A 12 HIS HD2 1.0 1.8 5.03 250 250 A 9 ILE HG2% A 47 GLU HBy 1.0 1.8 3.99 251 251 A 45 LEU HD1% A 45 LEU HBy 1.0 1.8 4.53 252 252 A 66 PHE HEx A 45 LEU HBx 1.0 1.8 5.20 253 253 A 45 LEU HBx A 45 LEU HD1% 1.0 1.8 4.55 254 254 A 97 LEU H A 97 LEU HBx 1.0 1.8 4.80 255 255 A 97 LEU HD1% A 97 LEU HBy 1.0 1.8 3.88 256 256 A 78 PHE HDy A 28 LEU HBy 1.0 1.8 6.21 257 257 A 28 LEU HBy A 78 PHE HDx 1.0 1.8 5.52 258 258 A 28 LEU HD2% A 28 LEU HBy 1.0 1.8 4.38 259 259 A 28 LEU HBy A 28 LEU HD1% 1.0 1.8 4.69 260 260 A 82 ARG H A 81 LEU HBy 1.0 1.8 5.73 261 261 A 81 LEU HD1% A 81 LEU HBx 1.0 1.8 4.22 262 262 A 7 ILE HB A 14 PHE HDy 1.0 1.8 4.93 263 263 A 6 PRO HA A 7 ILE HB 1.0 1.8 5.83 264 264 A 7 ILE HB A 14 PHE HBy 1.0 1.8 4.51 265 265 A 49 LEU HBy A 50 LYS H 1.0 1.8 5.35 266 266 A 50 LYS HA A 49 LEU HBy 1.0 1.8 5.45 267 267 A 21 LEU H A 21 LEU HBx 1.0 1.8 4.53 268 268 A 20 ALA H A 21 LEU HBy 1.0 1.8 5.69 269 269 A 78 PHE HDx A 28 LEU HBx 1.0 1.8 6.33 270 270 A 28 LEU HBx A 29 ASN HD22 1.0 1.8 5.70 271 271 A 25 LYS HA A 28 LEU HBx 1.0 1.8 4.35 272 272 A 82 ARG H A 80 ILE HB 1.0 1.8 6.04 273 273 A 79 TRP HE3 A 87 GLU HGx 1.0 1.8 6.06 274 274 A 79 TRP HE3 A 87 GLU HGy 1.0 1.8 6.06 275 275 A 10 ALA HB% A 47 GLU HGy 1.0 1.8 4.60 276 276 A 9 ILE HG2% A 47 GLU HGy 1.0 1.8 5.47 277 277 A 13 GLU HA A 8 GLU HGy 1.0 1.8 5.88 278 278 A 9 ILE HG2% A 47 GLU HGx 1.0 1.8 5.47 279 279 A 68 VAL H A 67 GLU HGx 1.0 1.8 5.19 280 280 A 14 PHE H A 13 GLU HGx 1.0 1.8 5.57 281 281 A 13 GLU HA A 8 GLU HGx 1.0 1.8 5.88 282 282 A 81 LEU HD2% A 67 GLU HBx 1.0 1.8 4.36 283 283 A 24 MET H A 27 MET HGy 1.0 1.8 6.33 284 284 A 31 TYR HDy A 27 MET HGy 1.0 1.8 6.33 285 285 A 24 MET H A 27 MET HGx 1.0 1.8 6.33 286 286 A 31 TYR HDy A 27 MET HGx 1.0 1.8 6.33 287 287 A 46 VAL HB A 66 PHE HEx 1.0 1.8 5.14 288 288 A 46 VAL HB A 43 ALA HB% 1.0 1.8 5.22 289 289 A 46 VAL HB A 10 ALA HB% 1.0 1.8 6.33 290 290 A 46 VAL HB A 63 VAL HG1% 1.0 1.8 5.49 291 291 A 82 ARG H A 87 GLU HBy 1.0 1.8 5.60 292 292 A 24 MET HA A 27 MET HBy 1.0 1.8 5.75 293 293 A 81 LEU HD1% A 87 GLU HBy 1.0 1.8 5.65 294 294 A 76 GLN HGx A 28 LEU HD2% 1.0 1.8 5.65 295 295 A 76 GLN HGx A 68 VAL HG1% 1.0 1.8 5.42 296 296 A 76 GLN HGx A 28 LEU HD1% 1.0 1.8 5.66 297 297 A 24 MET HBx A 25 LYS H 1.0 1.8 5.39 298 298 A 78 PHE HDx A 24 MET HBx 1.0 1.8 5.26 299 299 A 92 TYR HDy A 24 MET HBx 1.0 1.8 5.98 300 300 A 24 MET HBx A 92 TYR HEy 1.0 1.8 5.42 301 301 A 24 MET HE% A 44 PHE HEx 1.0 1.8 3.66 302 302 A 21 LEU HA A 24 MET HE% 1.0 1.8 4.34 303 303 A 24 MET HA A 24 MET HE% 1.0 1.8 6.01 304 304 A 45 LEU HA A 24 MET HE% 1.0 1.8 6.33 305 305 A 24 MET HE% A 48 ALA HB% 1.0 1.8 3.62 306 306 A 9 ILE HG2% A 24 MET HE% 1.0 1.8 5.15 307 307 A 27 MET HE% A 45 LEU H 1.0 1.8 5.36 308 308 A 27 MET HE% A 24 MET H 1.0 1.8 5.30 309 309 A 27 MET HE% A 44 PHE HDy 1.0 1.8 3.63 310 310 A 27 MET HE% A 23 PHE HDy 1.0 1.8 4.97 311 311 A 27 MET HE% A 78 PHE HEx 1.0 1.8 5.62 312 312 A 27 MET HE% A 23 PHE HEx 1.0 1.8 4.12 313 313 A 27 MET HE% A 24 MET HA 1.0 1.8 4.17 314 314 A 27 MET HE% A 44 PHE HBx 1.0 1.8 3.90 315 315 A 44 PHE HBy A 27 MET HE% 1.0 1.8 5.29 316 316 A 27 MET HE% A 45 LEU HG 1.0 1.8 4.46 317 317 A 27 MET HE% A 45 LEU HD2% 1.0 1.8 4.39 318 318 A 27 MET HE% A 45 LEU HD1% 1.0 1.8 4.37 319 319 A 40 VAL HA A 43 ALA HB% 1.0 1.8 3.75 320 320 A 43 ALA HB% A 40 VAL HG1% 1.0 1.8 4.75 321 321 A 22 ALA HB% A 19 ASP HA 1.0 1.8 3.60 322 322 A 55 ALA HB% A 52 HIS H 1.0 1.8 4.42 323 323 A 55 ALA HB% A 52 HIS HBy 1.0 1.8 5.18 324 324 A 55 ALA HB% A 52 HIS HBx 1.0 1.8 5.18 325 325 A 15 ALA H A 15 ALA HB% 1.0 1.8 3.71 326 326 A 90 PHE HEy A 48 ALA HB% 1.0 1.8 5.15 327 327 A 47 GLU H A 48 ALA HB% 1.0 1.8 5.23 328 328 A 45 LEU HA A 48 ALA HB% 1.0 1.8 3.84 329 329 A 49 LEU HBy A 48 ALA HB% 1.0 1.8 5.34 330 330 A 9 ILE HD1% A 48 ALA HB% 1.0 1.8 4.14 331 331 A 9 ILE HG2% A 48 ALA HB% 1.0 1.8 3.75 332 332 A 10 ALA HB% A 10 ALA H 1.0 1.8 4.07 333 333 A 47 GLU HBy A 10 ALA HB% 1.0 1.8 3.76 334 334 A 9 ILE HG2% A 10 ALA HB% 1.0 1.8 3.90 335 335 A 76 GLN HA A 71 ALA HB% 1.0 1.8 4.34 336 336 A 40 VAL HG2% A 40 VAL HA 1.0 1.8 3.52 337 337 A 55 ALA HB% A 56 THR HG2% 1.0 1.8 5.07 338 338 A 75 THR HG2% A 76 GLN H 1.0 1.8 4.46 339 339 A 75 THR HG2% A 75 THR HA 1.0 1.8 3.68 340 340 A 66 PHE HEx A 46 VAL HG2% 1.0 1.8 3.53 341 341 A 47 GLU H A 46 VAL HG2% 1.0 1.8 4.62 342 342 A 46 VAL HG2% A 66 PHE HZ 1.0 1.8 3.88 343 343 A 43 ALA HA A 46 VAL HG2% 1.0 1.8 4.35 344 344 A 46 VAL HA A 46 VAL HG2% 1.0 1.8 3.58 345 345 A 46 VAL HG2% A 63 VAL HB 1.0 1.8 3.91 346 346 A 63 VAL HG2% A 46 VAL HG2% 1.0 1.8 3.58 347 347 A 63 VAL HG1% A 46 VAL HG2% 1.0 1.8 3.81 348 348 A 95 CYS H A 21 LEU HD2% 1.0 1.8 4.95 349 349 A 21 LEU HA A 21 LEU HD2% 1.0 1.8 3.52 350 350 A 21 LEU HD2% A 21 LEU HBx 1.0 1.8 3.61 351 351 A 26 VAL HG2% A 24 MET H 1.0 1.8 6.33 352 352 A 26 VAL HG2% A 29 ASN H 1.0 1.8 6.33 353 353 A 23 PHE HA A 26 VAL HG2% 1.0 1.8 4.27 354 354 A 26 VAL HG2% A 26 VAL HA 1.0 1.8 3.38 355 355 A 22 ALA HB% A 26 VAL HG2% 1.0 1.8 4.35 356 356 A 83 THR HG2% A 64 ARG H 1.0 1.8 4.90 357 357 A 83 THR HG2% A 82 ARG HA 1.0 1.8 4.74 358 358 A 83 THR HG2% A 83 THR HA 1.0 1.8 3.59 359 359 A 83 THR HG2% A 64 ARG HBy 1.0 1.8 4.60 360 360 A 83 THR HG2% A 64 ARG HGy 1.0 1.8 5.44 361 361 A 83 THR HG2% A 64 ARG HBx 1.0 1.8 4.60 362 362 A 46 VAL HG1% A 46 VAL H 1.0 1.8 4.54 363 363 A 46 VAL HG1% A 66 PHE HEx 1.0 1.8 5.20 364 364 A 40 VAL H A 40 VAL HG1% 1.0 1.8 4.52 365 365 A 40 VAL HA A 40 VAL HG1% 1.0 1.8 3.80 366 366 A 96 VAL HG1% A 98 GLU H 1.0 1.8 6.06 367 367 A 37 VAL HG1% A 37 VAL H 1.0 1.8 4.35 368 368 A 37 VAL HG1% A 31 TYR HDy 1.0 1.8 5.32 369 369 A 37 VAL HG1% A 66 PHE HDy 1.0 1.8 4.81 370 370 A 41 ASP HA A 37 VAL HG1% 1.0 1.8 4.89 371 371 A 96 VAL HA A 96 VAL HG1% 1.0 1.8 3.76 372 372 A 17 LYS HA A 96 VAL HG1% 1.0 1.8 5.98 373 373 A 37 VAL HG1% A 41 ASP HBy 1.0 1.8 4.32 374 374 A 37 VAL HG1% A 41 ASP HBx 1.0 1.8 4.32 375 375 A 96 VAL HG1% A 17 LYS HBx 1.0 1.8 4.17 376 376 A 96 VAL HG1% A 97 LEU HG 1.0 1.8 5.11 377 377 A 96 VAL HG1% A 17 LYS HGx 1.0 1.8 5.00 378 378 A 37 VAL HG1% A 45 LEU HD1% 1.0 1.8 3.99 379 379 A 96 VAL HG2% A 97 LEU H 1.0 1.8 5.22 380 380 A 95 CYS H A 96 VAL HG2% 1.0 1.8 4.15 381 381 A 96 VAL HA A 96 VAL HG2% 1.0 1.8 3.92 382 382 A 96 VAL HG2% A 17 LYS HBx 1.0 1.8 4.44 383 383 A 26 VAL HG1% A 26 VAL H 1.0 1.8 4.35 384 384 A 26 VAL HG1% A 29 ASN H 1.0 1.8 5.29 385 385 A 26 VAL HG1% A 26 VAL HA 1.0 1.8 3.66 386 386 A 37 VAL HG2% A 66 PHE H 1.0 1.8 5.16 387 387 A 37 VAL HG2% A 78 PHE HDy 1.0 1.8 4.15 388 388 A 37 VAL HG2% A 78 PHE HEx 1.0 1.8 4.58 389 389 A 37 VAL HG2% A 36 ILE HA 1.0 1.8 4.81 390 390 A 37 VAL HG2% A 66 PHE HBx 1.0 1.8 4.51 391 391 A 37 VAL HG2% A 66 PHE HBy 1.0 1.8 4.26 392 392 A 37 VAL HG2% A 45 LEU HD1% 1.0 1.8 4.32 393 393 A 66 PHE HEx A 63 VAL HG2% 1.0 1.8 4.88 394 394 A 63 VAL HG2% A 82 ARG HA 1.0 1.8 5.47 395 395 A 63 VAL HG2% A 63 VAL HA 1.0 1.8 3.71 396 396 A 63 VAL HG2% A 59 ILE HA 1.0 1.8 4.70 397 397 A 68 VAL HG1% A 34 GLY H 1.0 1.8 5.66 398 398 A 68 VAL H A 68 VAL HG1% 1.0 1.8 4.88 399 399 A 68 VAL HG1% A 29 ASN H 1.0 1.8 6.33 400 400 A 68 VAL HG1% A 31 TYR HDy 1.0 1.8 6.33 401 401 A 76 GLN HA A 68 VAL HG1% 1.0 1.8 5.46 402 402 A 68 VAL HA A 68 VAL HG1% 1.0 1.8 4.11 403 403 A 68 VAL HG1% A 31 TYR HBy 1.0 1.8 4.69 404 404 A 81 LEU HD2% A 65 ASN H 1.0 1.8 5.80 405 405 A 81 LEU HD2% A 79 TRP HE3 1.0 1.8 5.42 406 406 A 87 GLU HA A 81 LEU HD2% 1.0 1.8 5.21 407 407 A 81 LEU HD2% A 81 LEU HA 1.0 1.8 3.99 408 408 A 81 LEU HD2% A 79 TRP HBy 1.0 1.8 4.52 409 409 A 81 LEU HD2% A 87 GLU HBy 1.0 1.8 4.21 410 410 A 81 LEU HD2% A 67 GLU HBy 1.0 1.8 4.36 411 411 A 81 LEU HBy A 81 LEU HD2% 1.0 1.8 3.85 412 412 A 68 VAL HG2% A 32 ARG H 1.0 1.8 6.04 413 413 A 68 VAL HG2% A 67 GLU H 1.0 1.8 6.33 414 414 A 68 VAL HG2% A 69 ARG H 1.0 1.8 4.82 415 415 A 68 VAL HG2% A 68 VAL H 1.0 1.8 4.16 416 416 A 68 VAL HG2% A 31 TYR HDy 1.0 1.8 4.67 417 417 A 78 PHE HDy A 68 VAL HG2% 1.0 1.8 4.03 418 418 A 68 VAL HG2% A 78 PHE HEx 1.0 1.8 4.15 419 419 A 68 VAL HA A 68 VAL HG2% 1.0 1.8 4.00 420 420 A 68 VAL HG2% A 31 TYR HBx 1.0 1.8 4.17 421 421 A 68 VAL HG2% A 31 TYR HBy 1.0 1.8 3.96 422 422 A 28 LEU HD2% A 78 PHE H 1.0 1.8 5.89 423 423 A 28 LEU HD2% A 78 PHE HDx 1.0 1.8 5.03 424 424 A 77 CYS HA A 28 LEU HD2% 1.0 1.8 4.49 425 425 A 28 LEU HD2% A 25 LYS HA 1.0 1.8 4.59 426 426 A 28 LEU HD2% A 28 LEU HBx 1.0 1.8 4.06 427 427 A 21 LEU H A 21 LEU HD1% 1.0 1.8 4.55 428 428 A 92 TYR HEy A 21 LEU HD1% 1.0 1.8 5.21 429 429 A 18 ALA HA A 21 LEU HD1% 1.0 1.8 3.65 430 430 A 93 LYS HA A 21 LEU HD1% 1.0 1.8 4.24 431 431 A 21 LEU HD1% A 17 LYS HEx 1.0 1.8 4.86 432 432 A 21 LEU HD1% A 17 LYS HEy 1.0 1.8 4.86 433 433 A 21 LEU HBx A 21 LEU HD1% 1.0 1.8 3.39 434 434 A 49 LEU HD2% A 66 PHE HEy 1.0 1.8 4.69 435 435 A 49 LEU HD2% A 49 LEU HBy 1.0 1.8 4.13 436 436 A 49 LEU HD2% A 49 LEU HBx 1.0 1.8 4.00 437 437 A 58 LYS H A 49 LEU HD1% 1.0 1.8 6.14 438 438 A 49 LEU HD1% A 57 SER H 1.0 1.8 6.33 439 439 A 49 LEU HD1% A 66 PHE HZ 1.0 1.8 6.33 440 440 A 49 LEU HD1% A 52 HIS HBy 1.0 1.8 4.95 441 441 A 49 LEU HD1% A 52 HIS HBx 1.0 1.8 4.95 442 442 A 55 ALA HB% A 49 LEU HD1% 1.0 1.8 4.49 443 443 A 49 LEU HD1% A 58 LYS HBy 1.0 1.8 5.30 444 444 A 49 LEU HD1% A 49 LEU HBx 1.0 1.8 4.00 445 445 A 66 PHE HDx A 45 LEU HD1% 1.0 1.8 4.73 446 446 A 78 PHE HZ A 45 LEU HD1% 1.0 1.8 4.80 447 447 A 45 LEU HA A 45 LEU HD1% 1.0 1.8 5.11 448 448 A 9 ILE HG1y A 14 PHE HEy 1.0 1.8 6.10 449 449 A 80 ILE H A 80 ILE HG1x 1.0 1.8 5.74 450 450 A 66 PHE H A 36 ILE HG2% 1.0 1.8 4.96 451 451 A 37 VAL H A 36 ILE HG2% 1.0 1.8 3.89 452 452 A 36 ILE HG2% A 65 ASN HD21 1.0 1.8 5.12 453 453 A 36 ILE HG2% A 65 ASN HD22 1.0 1.8 5.12 454 454 A 67 GLU HA A 36 ILE HG2% 1.0 1.8 4.92 455 455 A 36 ILE HA A 36 ILE HG2% 1.0 1.8 3.73 456 456 A 65 ASN HBx A 36 ILE HG2% 1.0 1.8 4.62 457 457 A 65 ASN HBy A 36 ILE HG2% 1.0 1.8 4.30 458 458 A 36 ILE HG2% A 36 ILE HG1y 1.0 1.8 3.89 459 459 A 36 ILE HG2% A 36 ILE HG1x 1.0 1.8 3.89 460 460 A 36 ILE HD1% A 36 ILE HG2% 1.0 1.8 3.50 461 461 A 14 PHE H A 7 ILE HG2% 1.0 1.8 5.05 462 462 A 7 ILE HG2% A 8 GLU H 1.0 1.8 3.84 463 463 A 7 ILE HA A 7 ILE HG2% 1.0 1.8 3.83 464 464 A 17 LYS HA A 7 ILE HG2% 1.0 1.8 5.12 465 465 A 14 PHE HBx A 7 ILE HG2% 1.0 1.8 5.93 466 466 A 14 PHE HBy A 7 ILE HG2% 1.0 1.8 4.89 467 467 A 7 ILE HG1y A 7 ILE HG2% 1.0 1.8 3.81 468 468 A 9 ILE HG1x A 7 ILE HG2% 1.0 1.8 4.26 469 469 A 20 ALA HB% A 20 ALA H 1.0 1.8 3.61 470 470 A 18 ALA HA A 20 ALA HB% 1.0 1.8 5.97 471 471 A 20 ALA HB% A 14 PHE HBx 1.0 1.8 4.55 472 472 A 19 ASP HBx A 20 ALA HB% 1.0 1.8 5.14 473 473 A 20 ALA HB% A 14 PHE HBy 1.0 1.8 4.57 474 474 A 7 ILE HG1y A 20 ALA HB% 1.0 1.8 4.63 475 475 A 9 ILE HD1% A 20 ALA HB% 1.0 1.8 3.98 476 476 A 59 ILE HG2% A 63 VAL H 1.0 1.8 4.30 477 477 A 59 ILE HG2% A 59 ILE H 1.0 1.8 4.70 478 478 A 80 ILE H A 80 ILE HD1% 1.0 1.8 4.97 479 479 A 59 ILE H A 80 ILE HD1% 1.0 1.8 6.33 480 480 A 66 PHE HEy A 80 ILE HD1% 1.0 1.8 4.78 481 481 A 80 ILE HD1% A 90 PHE HEx 1.0 1.8 4.96 482 482 A 66 PHE HZ A 80 ILE HD1% 1.0 1.8 5.66 483 483 A 90 PHE HA A 80 ILE HD1% 1.0 1.8 5.75 484 484 A 80 ILE HA A 80 ILE HD1% 1.0 1.8 4.85 485 485 A 80 ILE HD1% A 90 PHE HBy 1.0 1.8 4.83 486 486 A 80 ILE HD1% A 90 PHE HBx 1.0 1.8 4.45 487 487 A 80 ILE HB A 80 ILE HD1% 1.0 1.8 3.61 488 488 A 81 LEU H A 80 ILE HG2% 1.0 1.8 4.45 489 489 A 66 PHE HEy A 80 ILE HG2% 1.0 1.8 4.35 490 490 A 80 ILE HA A 80 ILE HG2% 1.0 1.8 4.06 491 491 A 80 ILE HG2% A 82 ARG HGy 1.0 1.8 4.23 492 492 A 63 VAL HG1% A 80 ILE HG2% 1.0 1.8 4.37 493 493 A 45 LEU H A 45 LEU HD2% 1.0 1.8 4.82 494 494 A 66 PHE HEy A 45 LEU HD2% 1.0 1.8 4.37 495 495 A 45 LEU HD2% A 90 PHE HEx 1.0 1.8 4.52 496 496 A 45 LEU HA A 45 LEU HD2% 1.0 1.8 3.61 497 497 A 45 LEU HD2% A 24 MET HGx 1.0 1.8 5.73 498 498 A 24 MET HE% A 45 LEU HD2% 1.0 1.8 4.70 499 499 A 45 LEU HBx A 45 LEU HD2% 1.0 1.8 4.43 500 500 A 81 LEU H A 63 VAL HG1% 1.0 1.8 5.55 501 501 A 63 VAL HG1% A 66 PHE HEx 1.0 1.8 4.13 502 502 A 65 ASN HA A 63 VAL HG1% 1.0 1.8 4.82 503 503 A 63 VAL HG1% A 63 VAL HA 1.0 1.8 3.97 504 504 A 28 LEU HD1% A 69 ARG H 1.0 1.8 5.47 505 505 A 28 LEU HD1% A 78 PHE H 1.0 1.8 5.89 506 506 A 28 LEU HD1% A 31 TYR HDy 1.0 1.8 6.33 507 507 A 78 PHE HDy A 28 LEU HD1% 1.0 1.8 4.51 508 508 A 78 PHE HZ A 28 LEU HD1% 1.0 1.8 4.36 509 509 A 77 CYS HA A 28 LEU HD1% 1.0 1.8 4.54 510 510 A 29 ASN HA A 28 LEU HD1% 1.0 1.8 5.98 511 511 A 28 LEU HA A 28 LEU HD1% 1.0 1.8 3.75 512 512 A 76 GLN HGy A 28 LEU HD1% 1.0 1.8 4.67 513 513 A 68 VAL HG2% A 28 LEU HD1% 1.0 1.8 3.65 514 514 A 36 ILE HD1% A 65 ASN HD21 1.0 1.8 5.05 515 515 A 36 ILE HD1% A 65 ASN HD22 1.0 1.8 5.05 516 516 A 36 ILE HA A 36 ILE HD1% 1.0 1.8 4.47 517 517 A 36 ILE HD1% A 65 ASN HBx 1.0 1.8 5.77 518 518 A 36 ILE HD1% A 36 ILE HB 1.0 1.8 4.01 519 519 A 7 ILE H A 7 ILE HD1% 1.0 1.8 4.46 520 520 A 14 PHE HDy A 7 ILE HD1% 1.0 1.8 5.77 521 521 A 20 ALA H A 7 ILE HD1% 1.0 1.8 6.21 522 522 A 6 PRO HA A 7 ILE HD1% 1.0 1.8 5.39 523 523 A 7 ILE HA A 7 ILE HD1% 1.0 1.8 4.38 524 524 A 17 LYS HA A 7 ILE HD1% 1.0 1.8 3.90 525 525 A 14 PHE HBx A 7 ILE HD1% 1.0 1.8 4.91 526 526 A 14 PHE HBy A 7 ILE HD1% 1.0 1.8 4.73 527 527 A 7 ILE HB A 7 ILE HD1% 1.0 1.8 3.58 528 528 A 59 ILE HD1% A 55 ALA H 1.0 1.8 5.47 529 529 A 59 ILE HD1% A 59 ILE HA 1.0 1.8 4.61 530 530 A 59 ILE HD1% A 49 LEU HG 1.0 1.8 3.99 531 531 A 9 ILE HD1% A 14 PHE HEy 1.0 1.8 4.04 532 532 A 9 ILE HD1% A 9 ILE HA 1.0 1.8 4.72 533 533 A 9 ILE HD1% A 24 MET HE% 1.0 1.8 4.34 534 534 A 9 ILE HD1% A 9 ILE HB 1.0 1.8 3.90 535 535 A 9 ILE HG2% A 9 ILE HD1% 1.0 1.8 3.67 536 536 A 81 LEU H A 81 LEU HG 1.0 1.8 4.98 537 537 A 65 ASN H A 81 LEU HG 1.0 1.8 6.08 538 538 A 54 ASP H A 53 PRO HGy 1.0 1.8 5.50 539 539 A 52 HIS HA A 53 PRO HGy 1.0 1.8 5.52 540 540 A 54 ASP H A 53 PRO HGx 1.0 1.8 5.51 541 541 A 21 LEU HG A 20 ALA H 1.0 1.8 5.60 542 542 A 7 ILE H A 6 PRO HGy 1.0 1.8 6.07 543 543 A 7 ILE H A 6 PRO HGx 1.0 1.8 6.07 544 544 A 32 ARG H A 32 ARG HGx 1.0 1.8 5.35 545 545 A 33 PRO HDy A 32 ARG HGx 1.0 1.8 6.01 546 546 A 33 PRO HDy A 32 ARG HGy 1.0 1.8 6.01 547 547 A 64 ARG H A 64 ARG HGx 1.0 1.8 6.33 548 548 A 64 ARG H A 64 ARG HGy 1.0 1.8 6.33 549 549 A 50 LYS H A 50 LYS HGy 1.0 1.8 4.95 550 550 A 50 LYS HA A 50 LYS HGy 1.0 1.8 4.82 551 551 A 16 ARG H A 16 ARG HGy 1.0 1.8 5.83 552 552 A 94 LYS H A 94 LYS HGy 1.0 1.8 5.21 553 553 A 49 LEU HG A 49 LEU H 1.0 1.8 5.69 554 554 A 50 LYS H A 50 LYS HGx 1.0 1.8 4.95 555 555 A 50 LYS HA A 50 LYS HGx 1.0 1.8 4.82 556 556 A 94 LYS H A 94 LYS HGx 1.0 1.8 5.21 557 557 A 45 LEU HG A 90 PHE HZ 1.0 1.8 5.96 558 558 A 58 LYS HA A 58 LYS HDx 1.0 1.8 5.05 559 559 A 83 THR HA A 64 ARG HBx 1.0 1.8 5.20 560 560 A 94 LYS H A 93 LYS HBx 1.0 1.8 6.08 561 561 A 76 GLN HGy A 76 GLN H 1.0 1.8 5.58 562 562 A 76 GLN HGy A 28 LEU HD2% 1.0 1.8 5.80 563 563 A 68 VAL HG2% A 76 GLN HGy 1.0 1.8 6.33 564 564 A 14 PHE H A 6 PRO HBx 1.0 1.8 5.75 565 565 A 15 ALA HA A 6 PRO HBx 1.0 1.8 5.06 566 566 A 17 LYS HBx A 18 ALA H 1.0 1.8 5.22 567 567 A 17 LYS HBx A 18 ALA HB% 1.0 1.8 4.86 568 568 A 17 LYS HBy A 96 VAL HG2% 1.0 1.8 4.98 569 569 A 14 PHE H A 13 GLU HBx 1.0 1.8 5.64 570 570 A 47 GLU HBx A 48 ALA H 1.0 1.8 5.09 571 571 A 47 GLU H A 47 GLU HBx 1.0 1.8 4.58 572 572 A 10 ALA HB% A 47 GLU HBx 1.0 1.8 4.70 573 573 A 9 ILE HG2% A 47 GLU HBx 1.0 1.8 4.74 574 574 A 80 ILE H A 80 ILE HG1y 1.0 1.8 5.74 575 575 A 59 ILE HD1% A 50 LYS HDx 1.0 1.8 6.33 576 576 A 59 ILE HD1% A 50 LYS HDy 1.0 1.8 6.33 577 577 A 30 ARG H A 30 ARG HGy 1.0 1.8 5.36 578 578 A 27 MET HA A 30 ARG HGy 1.0 1.8 6.21 579 579 A 30 ARG H A 30 ARG HGx 1.0 1.8 5.36 580 580 A 27 MET HA A 30 ARG HGx 1.0 1.8 6.21 581 581 A 7 ILE HG1y A 7 ILE H 1.0 1.8 4.84 582 582 A 78 PHE H A 77 CYS HBy 1.0 1.8 5.00 583 583 A 71 ALA HB% A 77 CYS HBy 1.0 1.8 4.84 584 584 A 28 LEU HD2% A 77 CYS HBy 1.0 1.8 5.80 585 585 A 78 PHE H A 77 CYS HBx 1.0 1.8 5.00 586 586 A 71 ALA HB% A 77 CYS HBx 1.0 1.8 4.84 587 587 A 28 LEU HD2% A 77 CYS HBx 1.0 1.8 5.80 588 588 A 92 TYR HDy A 24 MET HBy 1.0 1.8 6.07 589 589 A 83 THR HA A 64 ARG HBy 1.0 1.8 5.20 590 590 A 28 LEU H A 27 MET HBx 1.0 1.8 5.31 591 591 A 24 MET HA A 27 MET HBx 1.0 1.8 5.75 592 592 A 96 VAL HG1% A 17 LYS HGy 1.0 1.8 5.00 593 593 A 16 ARG H A 16 ARG HGx 1.0 1.8 5.83 594 594 A 49 LEU HD1% A 58 LYS HBx 1.0 1.8 5.30 595 595 A 25 LYS HBy A 92 TYR HEy 1.0 1.8 5.99 596 596 A 66 PHE HBx A 37 VAL HB 1.0 1.8 4.90 597 597 A 45 LEU HD1% A 37 VAL HB 1.0 1.8 5.70 598 598 A 95 CYS H A 96 VAL HB 1.0 1.8 5.60 599 599 A 58 LYS HA A 58 LYS HDy 1.0 1.8 5.05 600 600 A 47 GLU H A 47 GLU HGx 1.0 1.8 4.75 601 601 A 10 ALA HB% A 47 GLU HGx 1.0 1.8 4.60 602 602 A 81 LEU HD1% A 87 GLU HBx 1.0 1.8 5.01 603 603 A 81 LEU HD2% A 87 GLU HBx 1.0 1.8 5.77 604 604 A 80 ILE HD1% A 90 PHE HDy 1.0 1.8 4.55 605 605 A 45 LEU HD2% A 24 MET HGy 1.0 1.8 5.73 606 606 A 9 ILE HG2% A 9 ILE HG1y 1.0 1.8 4.21 607 607 A 9 ILE HG2% A 44 PHE HZ 1.0 1.8 4.53 608 608 A 68 VAL HG1% A 28 LEU HD1% 1.0 1.8 3.45 609 609 A 37 VAL HG1% A 42 GLY HAx 1.0 1.8 5.46 610 610 A 21 LEU HD2% A 24 MET HE% 1.0 1.8 3.81 611 611 A 21 LEU HBy A 21 LEU HD1% 1.0 1.8 3.58 612 612 A 52 HIS HA A 53 PRO HDy 1.0 1.8 4.04 613 613 A 18 ALA HA A 21 LEU HBy 1.0 1.8 4.00 614 614 A 55 ALA HA A 52 HIS HBy 1.0 1.8 5.18 615 615 A 31 TYR H A 30 ARG HDx 1.0 1.8 5.87 616 616 A 5 GLN HA A 6 PRO HDy 1.0 1.8 3.25 617 617 A 12 HIS HD2 A 12 HIS HBy 1.0 1.8 4.24 618 618 A 31 TYR HBy A 32 ARG H 1.0 1.8 4.95 619 619 A 31 TYR HBy A 68 VAL HB 1.0 1.8 5.52 620 620 A 37 VAL HG2% A 31 TYR HBy 1.0 1.8 5.08 621 621 A 37 VAL HG2% A 31 TYR HBx 1.0 1.8 4.97 622 622 A 68 VAL HG1% A 33 PRO HA 1.0 1.8 4.15 623 623 A 33 PRO HA A 69 ARG HA 1.0 1.8 4.45 624 624 A 76 GLN HA A 70 SER HBy 1.0 1.8 6.11 625 625 A 76 GLN HA A 70 SER HBx 1.0 1.8 6.11 626 626 A 70 SER H A 70 SER HBy 1.0 1.8 4.40 627 627 A 71 ALA H A 70 SER HBx 1.0 1.8 4.96 628 628 A 33 PRO HA A 35 ASP H 1.0 1.8 5.08 629 629 A 34 GLY H A 33 PRO HA 1.0 1.8 4.00 630 630 A 87 GLU HA A 79 TRP HE3 1.0 1.8 5.81 631 631 A 9 ILE HD1% A 7 ILE HG2% 1.0 1.8 3.35 632 632 A 9 ILE HD1% A 44 PHE HZ 1.0 1.8 4.35 633 633 A 20 ALA HB% A 7 ILE HD1% 1.0 1.8 4.16 634 634 A 49 LEU HD1% A 80 ILE HD1% 1.0 1.8 3.88 635 635 A 59 ILE HD1% A 49 LEU HD1% 1.0 1.8 4.24 636 636 A 49 LEU HD1% A 49 LEU HBy 1.0 1.8 4.32 637 637 A 49 LEU HD1% A 90 PHE HDy 1.0 1.8 5.46 638 638 A 59 ILE HD1% A 56 THR H 1.0 1.8 5.03 639 639 A 60 GLY H A 59 ILE HD1% 1.0 1.8 5.34 640 640 A 59 ILE HD1% A 57 SER H 1.0 1.8 5.81 641 641 A 45 LEU HD2% A 90 PHE HZ 1.0 1.8 4.08 642 642 A 55 ALA HB% A 59 ILE HD1% 1.0 1.8 3.50 643 643 A 59 ILE HD1% A 59 ILE HB 1.0 1.8 3.92 644 644 A 27 MET H A 27 MET HGx 1.0 1.8 5.36 645 645 A 81 LEU H A 81 LEU HD1% 1.0 1.8 5.14 646 646 A 97 LEU HD1% A 97 LEU HBx 1.0 1.8 3.88 647 647 A 58 LYS H A 58 LYS HGy 1.0 1.8 5.36 648 648 A 68 VAL HG1% A 76 GLN HBy 1.0 1.8 4.46 649 649 A 68 VAL HG1% A 76 GLN HBx 1.0 1.8 4.46 650 650 A 68 VAL H A 67 GLU HGy 1.0 1.8 5.19 651 651 A 54 ASP H A 54 ASP HBy 1.0 1.8 4.60 652 652 A 76 GLN HGy A 68 VAL HG1% 1.0 1.8 5.15 653 653 A 76 GLN H A 76 GLN HBy 1.0 1.8 4.77 654 654 A 98 GLU HA A 97 LEU HD1% 1.0 1.8 6.33 655 655 A 79 TRP HE1 A 77 CYS HBy 1.0 1.8 6.27 656 656 A 79 TRP HE1 A 77 CYS HBx 1.0 1.8 6.27 657 657 A 79 TRP HBx A 69 ARG H 1.0 1.8 5.96 658 658 A 90 PHE HZ A 92 TYR HBy 1.0 1.8 6.33 659 659 A 90 PHE HZ A 92 TYR HBx 1.0 1.8 6.33 660 660 A 89 ARG HA A 80 ILE H 1.0 1.8 6.31 661 661 A 89 ARG HA A 79 TRP HE3 1.0 1.8 6.13 662 662 A 89 ARG HA A 79 TRP HBy 1.0 1.8 6.33 663 663 A 90 PHE HEx A 90 PHE HBx 1.0 1.8 5.84 664 664 A 90 PHE HEy A 90 PHE HBy 1.0 1.8 5.54 665 665 A 45 LEU HBy A 48 ALA HB% 1.0 1.8 5.04 666 666 A 66 PHE HA A 63 VAL HG1% 1.0 1.8 6.18 667 667 A 76 GLN HA A 76 GLN HGx 1.0 1.8 4.65 668 668 A 31 TYR HDx A 35 ASP HBx 1.0 1.8 4.29 669 669 A 32 ARG H A 35 ASP HBy 1.0 1.8 5.06 670 670 A 68 VAL HB A 35 ASP HBy 1.0 1.8 5.09 671 671 A 68 VAL HG2% A 35 ASP HBy 1.0 1.8 6.11 672 672 A 68 VAL HG1% A 35 ASP HBy 1.0 1.8 6.33 673 673 A 50 LYS HEx A 50 LYS HGy 1.0 1.8 4.35 674 674 A 50 LYS HEx A 50 LYS HGx 1.0 1.8 4.35 675 675 A 46 VAL HG1% A 50 LYS HEx 1.0 1.8 4.47 676 676 A 50 LYS HGy A 50 LYS HEy 1.0 1.8 4.35 677 677 A 50 LYS HEy A 50 LYS HGx 1.0 1.8 4.35 678 678 A 46 VAL HG1% A 50 LYS HEy 1.0 1.8 4.47 679 679 A 93 LYS HGy A 93 LYS HEy 1.0 1.8 4.40 680 680 A 93 LYS HGy A 93 LYS HEx 1.0 1.8 4.40 681 681 A 93 LYS HEy A 93 LYS HGx 1.0 1.8 4.40 682 682 A 93 LYS HEx A 93 LYS HGx 1.0 1.8 4.40 683 683 A 67 GLU H A 66 PHE HBy 1.0 1.8 5.34 684 684 A 37 VAL HB A 66 PHE HBy 1.0 1.8 4.75 685 685 A 37 VAL HG1% A 66 PHE HBy 1.0 1.8 4.76 686 686 A 66 PHE HBx A 37 VAL HG1% 1.0 1.8 4.90 687 687 A 66 PHE HBx A 45 LEU HD1% 1.0 1.8 5.24 688 688 A 45 LEU HD1% A 66 PHE HBy 1.0 1.8 5.38 689 689 A 31 TYR HBx A 68 VAL HB 1.0 1.8 4.51 690 690 A 66 PHE HDx A 66 PHE HBx 1.0 1.8 4.08 691 691 A 80 ILE HA A 80 ILE HG1x 1.0 1.8 4.73 692 692 A 9 ILE HA A 44 PHE HA 1.0 1.8 6.33 693 693 A 44 PHE HA A 43 ALA H 1.0 1.8 6.33 694 694 A 44 PHE HBx A 45 LEU HD2% 1.0 1.8 6.20 695 695 A 44 PHE HBy A 9 ILE HG2% 1.0 1.8 5.90 696 696 A 29 ASN HBy A 28 LEU HBx 1.0 1.8 5.97 697 697 A 26 VAL HG2% A 29 ASN HBx 1.0 1.8 6.33 698 698 A 26 VAL HG2% A 29 ASN HBy 1.0 1.8 6.33 699 699 A 26 VAL HG1% A 29 ASN HBy 1.0 1.8 5.96 700 700 A 76 GLN HE22 A 29 ASN HBx 1.0 1.8 6.26 701 701 A 29 ASN HBy A 27 MET H 1.0 1.8 6.33 702 702 A 76 GLN HE22 A 29 ASN HBy 1.0 1.8 6.33 703 703 A 33 PRO HDy A 32 ARG HBy 1.0 1.8 4.34 704 704 A 83 THR HG2% A 64 ARG HGx 1.0 1.8 5.44 705 705 A 44 PHE HDy A 45 LEU HD2% 1.0 1.8 4.51 706 706 A 80 ILE HG2% A 82 ARG HGx 1.0 1.8 4.23 707 707 A 64 ARG H A 80 ILE HG2% 1.0 1.8 5.61 708 708 A 80 ILE H A 80 ILE HG2% 1.0 1.8 5.62 709 709 A 73 TYR HEy A 72 ASP HBy 1.0 1.8 6.33 710 710 A 73 TYR HEy A 72 ASP HBx 1.0 1.8 6.33 711 711 A 63 VAL HG1% A 59 ILE HA 1.0 1.8 6.33 712 712 A 69 ARG HA A 79 TRP HE1 1.0 1.8 6.33 713 713 A 79 TRP HE1 A 69 ARG HDy 1.0 1.8 5.44 714 714 A 79 TRP HE1 A 69 ARG HBy 1.0 1.8 5.20 715 715 A 79 TRP HE1 A 69 ARG HBx 1.0 1.8 5.20 716 716 A 79 TRP HE1 A 69 ARG HDx 1.0 1.8 5.44 717 717 A 79 TRP HE1 A 89 ARG HBy 1.0 1.8 6.20 718 718 A 79 TRP HE1 A 89 ARG HBx 1.0 1.8 6.20 719 719 A 82 ARG HA A 64 ARG H 1.0 1.8 4.19 720 720 A 63 VAL HA A 64 ARG H 1.0 1.8 3.73 721 721 A 64 ARG H A 64 ARG HDx 1.0 1.8 6.33 722 722 A 64 ARG H A 64 ARG HDy 1.0 1.8 6.33 723 723 A 63 VAL HB A 64 ARG H 1.0 1.8 5.13 724 724 A 64 ARG H A 64 ARG HBy 1.0 1.8 4.51 725 725 A 64 ARG H A 64 ARG HBx 1.0 1.8 4.51 726 726 A 63 VAL HG2% A 64 ARG H 1.0 1.8 4.62 727 727 A 63 VAL HG1% A 64 ARG H 1.0 1.8 4.31 728 728 A 9 ILE HA A 10 ALA H 1.0 1.8 3.67 729 729 A 47 GLU HBy A 10 ALA H 1.0 1.8 5.07 730 730 A 9 ILE HG1y A 10 ALA H 1.0 1.8 5.46 731 731 A 15 ALA H A 14 PHE HBx 1.0 1.8 4.97 732 732 A 79 TRP H A 78 PHE H 1.0 1.8 6.33 733 733 A 79 TRP H A 68 VAL HA 1.0 1.8 6.15 734 734 A 79 TRP H A 79 TRP HBx 1.0 1.8 4.70 735 735 A 79 TRP HBy A 80 ILE H 1.0 1.8 5.65 736 736 A 32 ARG HA A 34 GLY H 1.0 1.8 4.73 737 737 A 34 GLY H A 33 PRO HGy 1.0 1.8 5.49 738 738 A 34 GLY H A 68 VAL HB 1.0 1.8 5.55 739 739 A 34 GLY H A 33 PRO HGx 1.0 1.8 5.49 740 740 A 42 GLY H A 41 ASP HBy 1.0 1.8 4.76 741 741 A 42 GLY H A 41 ASP HBx 1.0 1.8 4.76 742 742 A 42 GLY H A 37 VAL HB 1.0 1.8 5.38 743 743 A 42 GLY H A 43 ALA HB% 1.0 1.8 5.19 744 744 A 39 THR HG2% A 42 GLY H 1.0 1.8 5.64 745 745 A 42 GLY H A 40 VAL HG1% 1.0 1.8 5.69 746 746 A 42 GLY H A 37 VAL HG1% 1.0 1.8 4.05 747 747 A 42 GLY H A 45 LEU HD1% 1.0 1.8 5.49 748 748 A 11 GLY H A 10 ALA H 1.0 1.8 4.47 749 749 A 11 GLY H A 9 ILE H 1.0 1.8 5.45 750 750 A 11 GLY H A 10 ALA HA 1.0 1.8 4.00 751 751 A 11 GLY H A 10 ALA HB% 1.0 1.8 4.63 752 752 A 74 GLY H A 73 TYR HDx 1.0 1.8 6.33 753 753 A 73 TYR HDy A 74 GLY H 1.0 1.8 6.33 754 754 A 57 SER H A 56 THR H 1.0 1.8 3.92 755 755 A 56 THR H A 54 ASP HA 1.0 1.8 4.98 756 756 A 56 THR HB A 56 THR H 1.0 1.8 3.52 757 757 A 55 ALA HB% A 56 THR H 1.0 1.8 3.42 758 758 A 56 THR HG2% A 56 THR H 1.0 1.8 3.92 759 759 A 83 THR H A 64 ARG H 1.0 1.8 4.93 760 760 A 83 THR H A 85 GLY H 1.0 1.8 5.37 761 761 A 83 THR H A 82 ARG HA 1.0 1.8 3.73 762 762 A 83 THR H A 83 THR HB 1.0 1.8 4.68 763 763 A 83 THR H A 63 VAL HA 1.0 1.8 4.76 764 764 A 83 THR H A 82 ARG HBy 1.0 1.8 4.37 765 765 A 83 THR H A 82 ARG HBx 1.0 1.8 4.37 766 766 A 83 THR H A 64 ARG HBy 1.0 1.8 5.55 767 767 A 83 THR H A 64 ARG HBx 1.0 1.8 5.55 768 768 A 83 THR H A 83 THR HG2% 1.0 1.8 3.51 769 769 A 83 THR H A 63 VAL HG2% 1.0 1.8 6.33 770 770 A 83 THR H A 63 VAL HG1% 1.0 1.8 6.33 771 771 A 82 ARG H A 85 GLY H 1.0 1.8 5.49 772 772 A 60 GLY H A 57 SER HA 1.0 1.8 4.85 773 773 A 60 GLY H A 59 ILE HB 1.0 1.8 4.11 774 774 A 60 GLY H A 56 THR HG2% 1.0 1.8 5.91 775 775 A 60 GLY H A 59 ILE HG2% 1.0 1.8 4.26 776 776 A 81 LEU HBy A 65 ASN HD21 1.0 1.8 6.01 777 777 A 66 PHE H A 65 ASN HD22 1.0 1.8 6.04 778 778 A 81 LEU HBy A 65 ASN HD22 1.0 1.8 6.01 779 779 A 76 GLN HE22 A 76 GLN HGy 1.0 1.8 4.35 780 780 A 76 GLN HE22 A 28 LEU HG 1.0 1.8 4.72 781 781 A 76 GLN HE22 A 68 VAL HG1% 1.0 1.8 4.32 782 782 A 76 GLN HE22 A 28 LEU HD1% 1.0 1.8 5.35 783 783 A 29 ASN H A 76 GLN HE21 1.0 1.8 6.07 784 784 A 29 ASN HBx A 29 ASN H 1.0 1.8 4.07 785 785 A 28 LEU HBx A 29 ASN H 1.0 1.8 3.92 786 786 A 28 LEU HBy A 29 ASN H 1.0 1.8 4.77 787 787 A 28 LEU HD2% A 29 ASN H 1.0 1.8 5.34 788 788 A 28 LEU HD1% A 29 ASN H 1.0 1.8 5.36 789 789 A 83 THR H A 62 GLY H 1.0 1.8 5.08 790 790 A 62 GLY H A 61 PRO HDx 1.0 1.8 4.69 791 791 A 61 PRO HGy A 62 GLY H 1.0 1.8 4.23 792 792 A 83 THR HG2% A 62 GLY H 1.0 1.8 5.32 793 793 A 59 ILE HG2% A 62 GLY H 1.0 1.8 3.74 794 794 A 14 PHE HDx A 16 ARG H 1.0 1.8 6.12 795 795 A 16 ARG H A 20 ALA H 1.0 1.8 6.33 796 796 A 6 PRO HA A 16 ARG H 1.0 1.8 6.33 797 797 A 16 ARG H A 14 PHE HBx 1.0 1.8 3.80 798 798 A 16 ARG H A 14 PHE HBy 1.0 1.8 4.97 799 799 A 16 ARG H A 16 ARG HBy 1.0 1.8 4.60 800 800 A 16 ARG H A 16 ARG HBx 1.0 1.8 4.60 801 801 A 15 ALA HB% A 16 ARG H 1.0 1.8 3.50 802 802 A 8 GLU HA A 14 PHE H 1.0 1.8 4.85 803 803 A 13 GLU HA A 14 PHE H 1.0 1.8 3.66 804 804 A 14 PHE H A 14 PHE HBx 1.0 1.8 4.70 805 805 A 14 PHE H A 14 PHE HBy 1.0 1.8 4.46 806 806 A 14 PHE H A 6 PRO HBy 1.0 1.8 5.75 807 807 A 14 PHE H A 13 GLU HGy 1.0 1.8 5.57 808 808 A 14 PHE H A 13 GLU HBy 1.0 1.8 5.64 809 809 A 79 TRP H A 69 ARG H 1.0 1.8 5.75 810 810 A 68 VAL H A 69 ARG H 1.0 1.8 5.52 811 811 A 69 ARG H A 79 TRP HD1 1.0 1.8 4.82 812 812 A 78 PHE HA A 69 ARG H 1.0 1.8 5.24 813 813 A 76 GLN HA A 69 ARG H 1.0 1.8 6.01 814 814 A 68 VAL HA A 69 ARG H 1.0 1.8 3.65 815 815 A 69 ARG H A 69 ARG HBy 1.0 1.8 4.75 816 816 A 69 ARG H A 69 ARG HBx 1.0 1.8 4.75 817 817 A 68 VAL HG1% A 69 ARG H 1.0 1.8 4.00 818 818 A 42 GLY H A 38 SER H 1.0 1.8 5.61 819 819 A 37 VAL H A 38 SER H 1.0 1.8 5.40 820 820 A 31 TYR HDy A 38 SER H 1.0 1.8 5.91 821 821 A 31 TYR HEy A 38 SER H 1.0 1.8 4.20 822 822 A 38 SER H A 38 SER HBx 1.0 1.8 4.28 823 823 A 37 VAL HA A 38 SER H 1.0 1.8 3.52 824 824 A 38 SER H A 41 ASP HBy 1.0 1.8 5.00 825 825 A 38 SER H A 41 ASP HBx 1.0 1.8 5.00 826 826 A 37 VAL HB A 38 SER H 1.0 1.8 4.51 827 827 A 37 VAL HG1% A 38 SER H 1.0 1.8 3.83 828 828 A 37 VAL HG2% A 38 SER H 1.0 1.8 4.80 829 829 A 82 ARG H A 81 LEU HA 1.0 1.8 3.32 830 830 A 82 ARG H A 85 GLY HAx 1.0 1.8 6.33 831 831 A 82 ARG H A 82 ARG HDy 1.0 1.8 5.75 832 832 A 82 ARG H A 82 ARG HDx 1.0 1.8 5.75 833 833 A 82 ARG H A 87 GLU HBx 1.0 1.8 4.63 834 834 A 82 ARG H A 82 ARG HBy 1.0 1.8 4.37 835 835 A 82 ARG H A 82 ARG HBx 1.0 1.8 4.37 836 836 A 82 ARG H A 81 LEU HBx 1.0 1.8 4.62 837 837 A 82 ARG H A 81 LEU HD1% 1.0 1.8 4.30 838 838 A 82 ARG H A 80 ILE HG2% 1.0 1.8 4.80 839 839 A 82 ARG HA A 63 VAL H 1.0 1.8 6.33 840 840 A 63 VAL H A 62 GLY HAy 1.0 1.8 3.62 841 841 A 63 VAL H A 62 GLY HAx 1.0 1.8 3.62 842 842 A 63 VAL HB A 63 VAL H 1.0 1.8 3.48 843 843 A 46 VAL HG2% A 63 VAL H 1.0 1.8 6.12 844 844 A 83 THR HG2% A 63 VAL H 1.0 1.8 4.70 845 845 A 63 VAL HG2% A 63 VAL H 1.0 1.8 3.36 846 846 A 63 VAL HG1% A 63 VAL H 1.0 1.8 4.63 847 847 A 10 ALA H A 9 ILE H 1.0 1.8 5.38 848 848 A 14 PHE H A 9 ILE H 1.0 1.8 6.01 849 849 A 14 PHE HDy A 9 ILE H 1.0 1.8 5.07 850 850 A 8 GLU HA A 9 ILE H 1.0 1.8 3.31 851 851 A 13 GLU HA A 9 ILE H 1.0 1.8 4.54 852 852 A 12 HIS HBy A 9 ILE H 1.0 1.8 4.90 853 853 A 9 ILE HG1x A 9 ILE H 1.0 1.8 4.46 854 854 A 7 ILE HG2% A 9 ILE H 1.0 1.8 5.40 855 855 A 9 ILE HG1y A 9 ILE H 1.0 1.8 5.73 856 856 A 9 ILE HG2% A 9 ILE H 1.0 1.8 4.85 857 857 A 68 VAL H A 37 VAL H 1.0 1.8 5.77 858 858 A 68 VAL H A 36 ILE HA 1.0 1.8 5.13 859 859 A 3 LYS HA A 4 ALA H 1.0 1.8 3.60 860 860 A 4 ALA H A 3 LYS HBy 1.0 1.8 5.85 861 861 A 4 ALA H A 3 LYS HBx 1.0 1.8 5.85 862 862 A 4 ALA H A 4 ALA HB% 1.0 1.8 3.53 863 863 A 7 ILE HA A 8 GLU H 1.0 1.8 3.22 864 864 A 8 GLU H A 8 GLU HBy 1.0 1.8 3.89 865 865 A 8 GLU H A 8 GLU HBx 1.0 1.8 3.89 866 866 A 9 ILE HG1x A 8 GLU H 1.0 1.8 5.03 867 867 A 7 ILE HG1x A 8 GLU H 1.0 1.8 5.44 868 868 A 8 GLU H A 7 ILE HD1% 1.0 1.8 5.76 869 869 A 77 CYS H A 71 ALA H 1.0 1.8 5.62 870 870 A 76 GLN HA A 71 ALA H 1.0 1.8 4.03 871 871 A 70 SER HA A 71 ALA H 1.0 1.8 3.61 872 872 A 71 ALA H A 70 SER HBy 1.0 1.8 4.96 873 873 A 71 ALA HB% A 71 ALA H 1.0 1.8 3.96 874 874 A 81 LEU H A 67 GLU H 1.0 1.8 5.81 875 875 A 81 LEU H A 81 LEU HBy 1.0 1.8 4.23 876 876 A 81 LEU H A 81 LEU HD2% 1.0 1.8 5.05 877 877 A 79 TRP HE3 A 89 ARG H 1.0 1.8 5.60 878 878 A 89 ARG H A 88 GLU HA 1.0 1.8 4.04 879 879 A 89 ARG H A 88 GLU HBx 1.0 1.8 5.88 880 880 A 67 GLU HA A 37 VAL H 1.0 1.8 4.29 881 881 A 36 ILE HA A 37 VAL H 1.0 1.8 3.47 882 882 A 66 PHE HBx A 37 VAL H 1.0 1.8 5.18 883 883 A 37 VAL H A 66 PHE HBy 1.0 1.8 5.03 884 884 A 37 VAL HB A 37 VAL H 1.0 1.8 3.89 885 885 A 37 VAL H A 36 ILE HG1y 1.0 1.8 6.21 886 886 A 37 VAL H A 36 ILE HG1x 1.0 1.8 6.21 887 887 A 36 ILE HD1% A 37 VAL H 1.0 1.8 4.67 888 888 A 37 VAL HG2% A 37 VAL H 1.0 1.8 3.66 889 889 A 41 ASP H A 42 GLY H 1.0 1.8 3.66 890 890 A 41 ASP H A 38 SER H 1.0 1.8 5.50 891 891 A 41 ASP H A 39 THR H 1.0 1.8 5.95 892 892 A 41 ASP H A 40 VAL H 1.0 1.8 3.73 893 893 A 41 ASP H A 42 GLY HAx 1.0 1.8 6.03 894 894 A 41 ASP H A 42 GLY HAy 1.0 1.8 6.24 895 895 A 41 ASP H A 41 ASP HBy 1.0 1.8 4.23 896 896 A 41 ASP H A 41 ASP HBx 1.0 1.8 4.23 897 897 A 41 ASP H A 40 VAL HB 1.0 1.8 3.86 898 898 A 41 ASP H A 40 VAL HG1% 1.0 1.8 3.71 899 899 A 41 ASP H A 37 VAL HG1% 1.0 1.8 4.37 900 900 A 18 ALA HA A 20 ALA H 1.0 1.8 5.55 901 901 A 17 LYS HA A 20 ALA H 1.0 1.8 5.30 902 902 A 19 ASP HBx A 20 ALA H 1.0 1.8 4.55 903 903 A 7 ILE HB A 20 ALA H 1.0 1.8 6.31 904 904 A 20 ALA H A 18 ALA HB% 1.0 1.8 5.52 905 905 A 47 GLU H A 47 GLU HGy 1.0 1.8 4.75 906 906 A 46 VAL HB A 47 GLU H 1.0 1.8 3.85 907 907 A 47 GLU HBy A 47 GLU H 1.0 1.8 3.58 908 908 A 47 GLU H A 10 ALA HB% 1.0 1.8 4.92 909 909 A 46 VAL HG1% A 47 GLU H 1.0 1.8 4.09 910 910 A 9 ILE HG2% A 47 GLU H 1.0 1.8 4.78 911 911 A 28 LEU H A 27 MET H 1.0 1.8 4.06 912 912 A 26 VAL H A 27 MET H 1.0 1.8 3.92 913 913 A 29 ASN H A 27 MET H 1.0 1.8 5.08 914 914 A 78 PHE HZ A 27 MET H 1.0 1.8 6.19 915 915 A 23 PHE HA A 27 MET H 1.0 1.8 5.36 916 916 A 24 MET HA A 27 MET H 1.0 1.8 4.62 917 917 A 27 MET H A 27 MET HGy 1.0 1.8 5.36 918 918 A 27 MET H A 27 MET HBy 1.0 1.8 4.14 919 919 A 26 VAL HB A 27 MET H 1.0 1.8 3.54 920 920 A 27 MET H A 27 MET HBx 1.0 1.8 4.14 921 921 A 28 LEU HBy A 27 MET H 1.0 1.8 6.19 922 922 A 26 VAL HG2% A 27 MET H 1.0 1.8 4.50 923 923 A 26 VAL HG1% A 27 MET H 1.0 1.8 4.29 924 924 A 4 ALA HA A 5 GLN H 1.0 1.8 3.06 925 925 A 4 ALA HB% A 5 GLN H 1.0 1.8 4.01 926 926 A 14 PHE H A 7 ILE H 1.0 1.8 4.45 927 927 A 7 ILE H A 14 PHE HDy 1.0 1.8 5.30 928 928 A 6 PRO HA A 7 ILE H 1.0 1.8 3.25 929 929 A 17 LYS HA A 7 ILE H 1.0 1.8 6.10 930 930 A 7 ILE H A 14 PHE HBx 1.0 1.8 5.44 931 931 A 7 ILE H A 14 PHE HBy 1.0 1.8 4.92 932 932 A 7 ILE H A 6 PRO HBy 1.0 1.8 4.12 933 933 A 7 ILE HB A 7 ILE H 1.0 1.8 3.63 934 934 A 7 ILE H A 6 PRO HBx 1.0 1.8 4.12 935 935 A 7 ILE HG1x A 7 ILE H 1.0 1.8 4.45 936 936 A 7 ILE H A 7 ILE HG2% 1.0 1.8 4.53 937 937 A 90 PHE HEy A 49 LEU H 1.0 1.8 6.33 938 938 A 47 GLU H A 49 LEU H 1.0 1.8 4.83 939 939 A 46 VAL HA A 49 LEU H 1.0 1.8 4.40 940 940 A 49 LEU HBy A 49 LEU H 1.0 1.8 3.71 941 941 A 49 LEU HBx A 49 LEU H 1.0 1.8 3.53 942 942 A 59 ILE HD1% A 49 LEU H 1.0 1.8 6.33 943 943 A 49 LEU HD2% A 49 LEU H 1.0 1.8 4.89 944 944 A 49 LEU HD1% A 49 LEU H 1.0 1.8 4.96 945 945 A 16 ARG HA A 18 ALA H 1.0 1.8 4.99 946 946 A 18 ALA H A 16 ARG HDx 1.0 1.8 6.33 947 947 A 18 ALA H A 16 ARG HDy 1.0 1.8 6.33 948 948 A 17 LYS HBy A 18 ALA H 1.0 1.8 4.65 949 949 A 18 ALA H A 18 ALA HB% 1.0 1.8 3.37 950 950 A 20 ALA HB% A 18 ALA H 1.0 1.8 6.33 951 951 A 21 LEU HD1% A 18 ALA H 1.0 1.8 6.33 952 952 A 73 TYR HDy A 73 TYR H 1.0 1.8 5.23 953 953 A 72 ASP HA A 73 TYR H 1.0 1.8 3.78 954 954 A 73 TYR H A 72 ASP HBx 1.0 1.8 4.61 955 955 A 70 SER H A 70 SER HBx 1.0 1.8 4.40 956 956 A 68 VAL HG1% A 70 SER H 1.0 1.8 5.83 957 957 A 40 VAL H A 39 THR H 1.0 1.8 4.21 958 958 A 38 SER HA A 39 THR H 1.0 1.8 3.53 959 959 A 39 THR HB A 39 THR H 1.0 1.8 3.92 960 960 A 39 THR H A 40 VAL HB 1.0 1.8 5.77 961 961 A 39 THR HG2% A 39 THR H 1.0 1.8 4.46 962 962 A 81 LEU H A 66 PHE H 1.0 1.8 5.91 963 963 A 66 PHE H A 37 VAL H 1.0 1.8 5.29 964 964 A 66 PHE H A 65 ASN HD21 1.0 1.8 6.04 965 965 A 66 PHE HDy A 66 PHE H 1.0 1.8 4.26 966 966 A 77 CYS H A 76 GLN HA 1.0 1.8 3.74 967 967 A 65 ASN HA A 66 PHE H 1.0 1.8 3.74 968 968 A 65 ASN HBy A 66 PHE H 1.0 1.8 4.05 969 969 A 77 CYS H A 76 GLN HBy 1.0 1.8 4.70 970 970 A 77 CYS H A 76 GLN HBx 1.0 1.8 4.70 971 971 A 81 LEU HBy A 66 PHE H 1.0 1.8 5.22 972 972 A 77 CYS H A 71 ALA HB% 1.0 1.8 5.13 973 973 A 36 ILE HD1% A 66 PHE H 1.0 1.8 6.23 974 974 A 37 VAL HG1% A 66 PHE H 1.0 1.8 6.33 975 975 A 81 LEU HD2% A 66 PHE H 1.0 1.8 6.33 976 976 A 77 CYS H A 68 VAL HG1% 1.0 1.8 4.20 977 977 A 77 CYS H A 28 LEU HD1% 1.0 1.8 5.13 978 978 A 81 LEU H A 65 ASN H 1.0 1.8 4.67 979 979 A 66 PHE HDy A 65 ASN H 1.0 1.8 6.33 980 980 A 66 PHE HEx A 65 ASN H 1.0 1.8 6.33 981 981 A 82 ARG HA A 65 ASN H 1.0 1.8 5.09 982 982 A 63 VAL HA A 65 ASN H 1.0 1.8 5.05 983 983 A 65 ASN H A 64 ARG HDx 1.0 1.8 6.33 984 984 A 65 ASN H A 64 ARG HDy 1.0 1.8 6.33 985 985 A 65 ASN HBy A 65 ASN H 1.0 1.8 4.78 986 986 A 65 ASN H A 64 ARG HBy 1.0 1.8 4.45 987 987 A 81 LEU HBx A 65 ASN H 1.0 1.8 4.66 988 988 A 65 ASN H A 64 ARG HBx 1.0 1.8 4.45 989 989 A 81 LEU HD1% A 65 ASN H 1.0 1.8 6.33 990 990 A 63 VAL HG2% A 65 ASN H 1.0 1.8 6.33 991 991 A 63 VAL HG1% A 65 ASN H 1.0 1.8 3.83 992 992 A 82 ARG H A 87 GLU H 1.0 1.8 5.68 993 993 A 87 GLU H A 86 SER HA 1.0 1.8 3.50 994 994 A 87 GLU H A 86 SER HBy 1.0 1.8 4.69 995 995 A 87 GLU H A 87 GLU HBy 1.0 1.8 4.65 996 996 A 81 LEU HD1% A 87 GLU H 1.0 1.8 5.99 997 997 A 77 CYS H A 76 GLN H 1.0 1.8 5.50 998 998 A 76 GLN H A 75 THR HA 1.0 1.8 3.71 999 999 A 76 GLN H A 75 THR HB 1.0 1.8 3.44 1000 1000 A 76 GLN HGx A 76 GLN H 1.0 1.8 4.66 1001 1001 A 76 GLN H A 76 GLN HBx 1.0 1.8 4.77 1002 1002 A 28 LEU HD2% A 76 GLN H 1.0 1.8 5.15 1003 1003 A 28 LEU HD1% A 76 GLN H 1.0 1.8 5.98 1004 1004 A 46 VAL H A 44 PHE H 1.0 1.8 5.20 1005 1005 A 66 PHE HEx A 46 VAL H 1.0 1.8 4.05 1006 1006 A 66 PHE HZ A 46 VAL H 1.0 1.8 4.62 1007 1007 A 43 ALA HA A 46 VAL H 1.0 1.8 4.36 1008 1008 A 44 PHE HA A 46 VAL H 1.0 1.8 5.39 1009 1009 A 42 GLY HAy A 46 VAL H 1.0 1.8 5.27 1010 1010 A 46 VAL HB A 46 VAL H 1.0 1.8 3.40 1011 1011 A 47 GLU HBy A 46 VAL H 1.0 1.8 5.81 1012 1012 A 43 ALA HB% A 46 VAL H 1.0 1.8 5.51 1013 1013 A 45 LEU HG A 46 VAL H 1.0 1.8 6.12 1014 1014 A 48 ALA HB% A 46 VAL H 1.0 1.8 6.33 1015 1015 A 46 VAL HG2% A 46 VAL H 1.0 1.8 3.60 1016 1016 A 45 LEU HBx A 46 VAL H 1.0 1.8 3.60 1017 1017 A 45 LEU HBy A 46 VAL H 1.0 1.8 4.29 1018 1018 A 45 LEU HD1% A 46 VAL H 1.0 1.8 5.14 1019 1019 A 60 GLY H A 59 ILE H 1.0 1.8 4.07 1020 1020 A 56 THR HA A 59 ILE H 1.0 1.8 4.80 1021 1021 A 60 GLY HAy A 59 ILE H 1.0 1.8 5.60 1022 1022 A 59 ILE HB A 59 ILE H 1.0 1.8 3.50 1023 1023 A 59 ILE HD1% A 59 ILE H 1.0 1.8 5.27 1024 1024 A 49 LEU HD2% A 59 ILE H 1.0 1.8 5.37 1025 1025 A 49 LEU HD1% A 59 ILE H 1.0 1.8 5.82 1026 1026 A 97 LEU H A 98 GLU H 1.0 1.8 5.04 1027 1027 A 97 LEU HA A 98 GLU H 1.0 1.8 4.04 1028 1028 A 98 GLU H A 98 GLU HBx 1.0 1.8 4.51 1029 1029 A 98 GLU H A 97 LEU HBy 1.0 1.8 4.74 1030 1030 A 98 GLU H A 97 LEU HBx 1.0 1.8 4.74 1031 1031 A 97 LEU HD1% A 98 GLU H 1.0 1.8 4.76 1032 1032 A 66 PHE HEx A 45 LEU H 1.0 1.8 5.47 1033 1033 A 43 ALA HA A 45 LEU H 1.0 1.8 5.32 1034 1034 A 45 LEU H A 44 PHE HBx 1.0 1.8 4.07 1035 1035 A 44 PHE HBy A 45 LEU H 1.0 1.8 4.60 1036 1036 A 45 LEU HG A 45 LEU H 1.0 1.8 3.77 1037 1037 A 45 LEU H A 45 LEU HBx 1.0 1.8 4.01 1038 1038 A 45 LEU H A 45 LEU HBy 1.0 1.8 4.28 1039 1039 A 45 LEU H A 45 LEU HD1% 1.0 1.8 4.38 1040 1040 A 34 GLY H A 35 ASP H 1.0 1.8 3.75 1041 1041 A 68 VAL H A 35 ASP H 1.0 1.8 4.66 1042 1042 A 35 ASP H A 35 ASP HBy 1.0 1.8 3.60 1043 1043 A 35 ASP H A 35 ASP HBx 1.0 1.8 4.32 1044 1044 A 68 VAL HB A 35 ASP H 1.0 1.8 4.30 1045 1045 A 68 VAL HG1% A 35 ASP H 1.0 1.8 5.49 1046 1046 A 9 ILE H A 13 GLU H 1.0 1.8 5.72 1047 1047 A 14 PHE HDy A 13 GLU H 1.0 1.8 6.31 1048 1048 A 8 GLU HA A 13 GLU H 1.0 1.8 5.49 1049 1049 A 12 HIS HA A 13 GLU H 1.0 1.8 3.29 1050 1050 A 12 HIS HBy A 13 GLU H 1.0 1.8 5.01 1051 1051 A 13 GLU H A 12 HIS HBx 1.0 1.8 4.49 1052 1052 A 13 GLU H A 13 GLU HGy 1.0 1.8 4.85 1053 1053 A 46 VAL H A 48 ALA H 1.0 1.8 5.31 1054 1054 A 50 LYS H A 48 ALA H 1.0 1.8 5.55 1055 1055 A 48 ALA H A 47 GLU HGy 1.0 1.8 5.73 1056 1056 A 48 ALA H A 47 GLU HGx 1.0 1.8 5.73 1057 1057 A 47 GLU HBy A 48 ALA H 1.0 1.8 4.00 1058 1058 A 48 ALA HB% A 48 ALA H 1.0 1.8 3.40 1059 1059 A 46 VAL HG1% A 48 ALA H 1.0 1.8 5.83 1060 1060 A 9 ILE HD1% A 48 ALA H 1.0 1.8 5.44 1061 1061 A 9 ILE HG2% A 48 ALA H 1.0 1.8 4.22 1062 1062 A 25 LYS H A 27 MET H 1.0 1.8 5.49 1063 1063 A 25 LYS H A 92 TYR HEy 1.0 1.8 5.13 1064 1064 A 22 ALA HA A 25 LYS H 1.0 1.8 4.28 1065 1065 A 25 LYS H A 25 LYS HBx 1.0 1.8 3.61 1066 1066 A 25 LYS HBy A 25 LYS H 1.0 1.8 3.82 1067 1067 A 25 LYS H A 25 LYS HDx 1.0 1.8 6.33 1068 1068 A 25 LYS H A 25 LYS HDy 1.0 1.8 6.33 1069 1069 A 26 VAL HG2% A 25 LYS H 1.0 1.8 5.16 1070 1070 A 20 ALA H A 22 ALA H 1.0 1.8 5.32 1071 1071 A 19 ASP HA A 22 ALA H 1.0 1.8 4.42 1072 1072 A 22 ALA H A 23 PHE HBy 1.0 1.8 6.28 1073 1073 A 22 ALA H A 23 PHE HBx 1.0 1.8 6.28 1074 1074 A 21 LEU HBy A 22 ALA H 1.0 1.8 3.78 1075 1075 A 22 ALA HB% A 22 ALA H 1.0 1.8 3.08 1076 1076 A 21 LEU HD1% A 22 ALA H 1.0 1.8 5.53 1077 1077 A 21 LEU HD2% A 22 ALA H 1.0 1.8 6.01 1078 1078 A 42 GLY H A 40 VAL H 1.0 1.8 5.09 1079 1079 A 39 THR HB A 40 VAL H 1.0 1.8 3.75 1080 1080 A 40 VAL H A 40 VAL HB 1.0 1.8 3.34 1081 1081 A 39 THR HG2% A 40 VAL H 1.0 1.8 4.39 1082 1082 A 40 VAL HG2% A 40 VAL H 1.0 1.8 3.28 1083 1083 A 52 HIS H A 55 ALA H 1.0 1.8 6.33 1084 1084 A 58 LYS H A 55 ALA H 1.0 1.8 6.33 1085 1085 A 55 ALA H A 54 ASP HA 1.0 1.8 3.96 1086 1086 A 55 ALA H A 53 PRO HA 1.0 1.8 4.97 1087 1087 A 50 LYS HA A 55 ALA H 1.0 1.8 6.01 1088 1088 A 55 ALA H A 52 HIS HBy 1.0 1.8 5.26 1089 1089 A 55 ALA H A 54 ASP HBx 1.0 1.8 5.46 1090 1090 A 55 ALA H A 53 PRO HGy 1.0 1.8 5.70 1091 1091 A 55 ALA HB% A 55 ALA H 1.0 1.8 3.13 1092 1092 A 56 THR HG2% A 55 ALA H 1.0 1.8 5.28 1093 1093 A 23 PHE HA A 26 VAL H 1.0 1.8 4.66 1094 1094 A 26 VAL HB A 26 VAL H 1.0 1.8 3.42 1095 1095 A 22 ALA HB% A 26 VAL H 1.0 1.8 5.45 1096 1096 A 26 VAL HG2% A 26 VAL H 1.0 1.8 3.50 1097 1097 A 58 LYS H A 57 SER HBx 1.0 1.8 5.27 1098 1098 A 58 LYS H A 57 SER HBy 1.0 1.8 5.27 1099 1099 A 36 ILE H A 36 ILE HG1y 1.0 1.8 4.54 1100 1100 A 58 LYS H A 56 THR HG2% 1.0 1.8 5.18 1101 1101 A 58 LYS H A 59 ILE HD1% 1.0 1.8 5.51 1102 1102 A 58 LYS H A 58 LYS HGx 1.0 1.8 5.36 1103 1103 A 10 ALA H A 12 HIS H 1.0 1.8 5.44 1104 1104 A 11 GLY H A 12 HIS H 1.0 1.8 3.91 1105 1105 A 9 ILE H A 12 HIS H 1.0 1.8 4.03 1106 1106 A 31 TYR HDx A 36 ILE H 1.0 1.8 6.29 1107 1107 A 12 HIS HD2 A 12 HIS H 1.0 1.8 4.04 1108 1108 A 8 GLU HA A 12 HIS H 1.0 1.8 5.67 1109 1109 A 35 ASP HA A 36 ILE H 1.0 1.8 3.32 1110 1110 A 12 HIS HBy A 12 HIS H 1.0 1.8 3.65 1111 1111 A 35 ASP HBx A 36 ILE H 1.0 1.8 4.14 1112 1112 A 12 HIS HBx A 12 HIS H 1.0 1.8 4.40 1113 1113 A 36 ILE HB A 36 ILE H 1.0 1.8 3.36 1114 1114 A 10 ALA HB% A 12 HIS H 1.0 1.8 4.21 1115 1115 A 36 ILE H A 36 ILE HG1x 1.0 1.8 4.54 1116 1116 A 36 ILE HG2% A 36 ILE H 1.0 1.8 4.50 1117 1117 A 36 ILE HD1% A 36 ILE H 1.0 1.8 4.76 1118 1118 A 9 ILE HG2% A 12 HIS H 1.0 1.8 5.62 1119 1119 A 29 ASN H A 28 LEU H 1.0 1.8 3.92 1120 1120 A 78 PHE HZ A 28 LEU H 1.0 1.8 4.28 1121 1121 A 29 ASN HBy A 28 LEU H 1.0 1.8 5.76 1122 1122 A 28 LEU H A 27 MET HBy 1.0 1.8 5.31 1123 1123 A 28 LEU HBx A 28 LEU H 1.0 1.8 3.61 1124 1124 A 28 LEU HBy A 28 LEU H 1.0 1.8 3.70 1125 1125 A 28 LEU HD2% A 28 LEU H 1.0 1.8 5.11 1126 1126 A 28 LEU HD1% A 28 LEU H 1.0 1.8 4.89 1127 1127 A 58 LYS H A 57 SER H 1.0 1.8 3.94 1128 1128 A 57 SER H A 54 ASP HA 1.0 1.8 5.27 1129 1129 A 56 THR HB A 57 SER H 1.0 1.8 4.76 1130 1130 A 57 SER H A 57 SER HBx 1.0 1.8 4.06 1131 1131 A 57 SER H A 57 SER HBy 1.0 1.8 4.06 1132 1132 A 55 ALA HB% A 57 SER H 1.0 1.8 5.26 1133 1133 A 56 THR HG2% A 57 SER H 1.0 1.8 4.32 1134 1134 A 21 LEU H A 19 ASP H 1.0 1.8 5.21 1135 1135 A 21 LEU H A 19 ASP HA 1.0 1.8 5.49 1136 1136 A 17 LYS HA A 21 LEU H 1.0 1.8 5.55 1137 1137 A 19 ASP HBx A 21 LEU H 1.0 1.8 6.00 1138 1138 A 21 LEU HG A 21 LEU H 1.0 1.8 3.38 1139 1139 A 21 LEU H A 18 ALA HB% 1.0 1.8 5.59 1140 1140 A 21 LEU HD2% A 21 LEU H 1.0 1.8 3.77 1141 1141 A 82 ARG H A 86 SER H 1.0 1.8 5.00 1142 1142 A 87 GLU H A 86 SER H 1.0 1.8 5.39 1143 1143 A 84 ASP H A 86 SER H 1.0 1.8 4.81 1144 1144 A 82 ARG HA A 86 SER H 1.0 1.8 6.33 1145 1145 A 86 SER H A 86 SER HBy 1.0 1.8 4.52 1146 1146 A 86 SER H A 86 SER HBx 1.0 1.8 4.52 1147 1147 A 86 SER H A 82 ARG HBy 1.0 1.8 5.03 1148 1148 A 86 SER H A 82 ARG HBx 1.0 1.8 5.03 1149 1149 A 51 ARG H A 49 LEU H 1.0 1.8 5.53 1150 1150 A 52 HIS H A 51 ARG H 1.0 1.8 3.84 1151 1151 A 51 ARG H A 51 ARG HDx 1.0 1.8 6.33 1152 1152 A 51 ARG H A 51 ARG HDy 1.0 1.8 6.33 1153 1153 A 51 ARG H A 51 ARG HBy 1.0 1.8 4.28 1154 1154 A 51 ARG H A 51 ARG HBx 1.0 1.8 4.28 1155 1155 A 49 LEU HG A 51 ARG H 1.0 1.8 6.33 1156 1156 A 59 ILE HD1% A 51 ARG H 1.0 1.8 6.33 1157 1157 A 73 TYR H A 72 ASP H 1.0 1.8 5.64 1158 1158 A 71 ALA H A 72 ASP H 1.0 1.8 5.28 1159 1159 A 76 GLN HA A 72 ASP H 1.0 1.8 6.08 1160 1160 A 71 ALA HB% A 72 ASP H 1.0 1.8 3.44 1161 1161 A 27 MET HA A 30 ARG H 1.0 1.8 4.67 1162 1162 A 29 ASN HBx A 30 ARG H 1.0 1.8 4.45 1163 1163 A 30 ARG H A 30 ARG HBy 1.0 1.8 4.24 1164 1164 A 30 ARG H A 30 ARG HBx 1.0 1.8 4.24 1165 1165 A 24 MET H A 26 VAL H 1.0 1.8 4.98 1166 1166 A 24 MET H A 44 PHE HEx 1.0 1.8 5.80 1167 1167 A 24 MET H A 23 PHE HDy 1.0 1.8 4.70 1168 1168 A 24 MET H A 23 PHE HBy 1.0 1.8 4.80 1169 1169 A 24 MET H A 23 PHE HBx 1.0 1.8 4.80 1170 1170 A 24 MET H A 24 MET HGy 1.0 1.8 4.69 1171 1171 A 24 MET H A 24 MET HGx 1.0 1.8 4.69 1172 1172 A 24 MET H A 24 MET HBx 1.0 1.8 4.24 1173 1173 A 21 LEU HD2% A 24 MET H 1.0 1.8 6.28 1174 1174 A 45 LEU H A 43 ALA H 1.0 1.8 5.05 1175 1175 A 41 ASP HA A 43 ALA H 1.0 1.8 5.53 1176 1176 A 40 VAL HA A 43 ALA H 1.0 1.8 4.66 1177 1177 A 44 PHE HBy A 43 ALA H 1.0 1.8 6.23 1178 1178 A 43 ALA HB% A 43 ALA H 1.0 1.8 2.96 1179 1179 A 39 THR HG2% A 43 ALA H 1.0 1.8 5.12 1180 1180 A 40 VAL HG1% A 43 ALA H 1.0 1.8 5.98 1181 1181 A 37 VAL HG1% A 43 ALA H 1.0 1.8 5.95 1182 1182 A 45 LEU H A 44 PHE H 1.0 1.8 3.73 1183 1183 A 43 ALA H A 44 PHE H 1.0 1.8 3.60 1184 1184 A 44 PHE HDy A 44 PHE H 1.0 1.8 5.76 1185 1185 A 44 PHE H A 44 PHE HDx 1.0 1.8 6.27 1186 1186 A 41 ASP HA A 44 PHE H 1.0 1.8 4.38 1187 1187 A 44 PHE HBx A 44 PHE H 1.0 1.8 3.58 1188 1188 A 44 PHE HBy A 44 PHE H 1.0 1.8 3.62 1189 1189 A 43 ALA HB% A 44 PHE H 1.0 1.8 3.53 1190 1190 A 10 ALA HB% A 44 PHE H 1.0 1.8 4.65 1191 1191 A 40 VAL HG1% A 44 PHE H 1.0 1.8 5.15 1192 1192 A 9 ILE HG2% A 44 PHE H 1.0 1.8 5.88 1193 1193 A 45 LEU HD1% A 44 PHE H 1.0 1.8 6.33 1194 1194 A 31 TYR H A 32 ARG H 1.0 1.8 5.50 1195 1195 A 31 TYR H A 30 ARG H 1.0 1.8 3.32 1196 1196 A 31 TYR HEy A 31 TYR H 1.0 1.8 6.33 1197 1197 A 31 TYR H A 76 GLN HE21 1.0 1.8 6.33 1198 1198 A 29 ASN HA A 31 TYR H 1.0 1.8 5.38 1199 1199 A 28 LEU HA A 31 TYR H 1.0 1.8 5.20 1200 1200 A 31 TYR H A 31 TYR HBx 1.0 1.8 4.22 1201 1201 A 31 TYR H A 31 TYR HBy 1.0 1.8 3.83 1202 1202 A 31 TYR H A 30 ARG HBy 1.0 1.8 4.82 1203 1203 A 31 TYR H A 30 ARG HBx 1.0 1.8 4.82 1204 1204 A 68 VAL HG2% A 31 TYR H 1.0 1.8 5.01 1205 1205 A 82 ARG H A 84 ASP H 1.0 1.8 6.06 1206 1206 A 82 ARG HA A 84 ASP H 1.0 1.8 5.14 1207 1207 A 61 PRO HGy A 84 ASP H 1.0 1.8 4.45 1208 1208 A 61 PRO HGx A 84 ASP H 1.0 1.8 4.86 1209 1209 A 83 THR HG2% A 84 ASP H 1.0 1.8 4.85 1210 1210 A 18 ALA H A 19 ASP H 1.0 1.8 4.54 1211 1211 A 16 ARG H A 19 ASP H 1.0 1.8 4.62 1212 1212 A 19 ASP HBx A 19 ASP H 1.0 1.8 3.90 1213 1213 A 18 ALA HB% A 19 ASP H 1.0 1.8 3.84 1214 1214 A 95 CYS H A 93 LYS HA 1.0 1.8 5.49 1215 1215 A 95 CYS H A 94 LYS HBy 1.0 1.8 5.27 1216 1216 A 95 CYS H A 94 LYS HBx 1.0 1.8 5.27 1217 1217 A 95 CYS H A 21 LEU HD1% 1.0 1.8 5.64 1218 1218 A 52 HIS H A 50 LYS H 1.0 1.8 5.26 1219 1219 A 47 GLU HA A 50 LYS H 1.0 1.8 4.39 1220 1220 A 55 ALA HB% A 50 LYS H 1.0 1.8 5.84 1221 1221 A 94 LYS H A 93 LYS HBy 1.0 1.8 6.08 1222 1222 A 94 LYS H A 94 LYS HBx 1.0 1.8 4.38 1223 1223 A 49 LEU HG A 50 LYS H 1.0 1.8 4.78 1224 1224 A 59 ILE HD1% A 50 LYS H 1.0 1.8 4.85 1225 1225 A 49 LEU HD2% A 50 LYS H 1.0 1.8 5.62 1226 1226 A 49 LEU HD1% A 50 LYS H 1.0 1.8 5.53 1227 1227 A 52 HIS H A 49 LEU HA 1.0 1.8 4.78 1228 1228 A 55 ALA HA A 52 HIS H 1.0 1.8 6.33 1229 1229 A 52 HIS H A 52 HIS HBy 1.0 1.8 4.36 1230 1230 A 52 HIS H A 52 HIS HBx 1.0 1.8 4.36 1231 1231 A 49 LEU HD1% A 52 HIS H 1.0 1.8 5.68 1232 1232 A 95 CYS H A 97 LEU H 1.0 1.8 6.15 1233 1233 A 97 LEU H A 96 VAL HB 1.0 1.8 5.27 1234 1234 A 97 LEU H A 97 LEU HBy 1.0 1.8 4.80 1235 1235 A 97 LEU H A 96 VAL HG1% 1.0 1.8 4.49 1236 1236 A 23 PHE HDx A 23 PHE H 1.0 1.8 5.39 1237 1237 A 19 ASP HA A 23 PHE H 1.0 1.8 5.23 1238 1238 A 23 PHE H A 23 PHE HBy 1.0 1.8 3.78 1239 1239 A 23 PHE H A 23 PHE HBx 1.0 1.8 3.78 1240 1240 A 23 PHE H A 20 ALA HA 1.0 1.8 4.78 1241 1241 A 22 ALA HB% A 23 PHE H 1.0 1.8 3.74 1242 1242 A 26 VAL HA A 29 ASN HD21 1.0 1.8 5.55 1243 1243 A 29 ASN HD21 A 25 LYS HEx 1.0 1.8 6.33 1244 1244 A 29 ASN HD21 A 25 LYS HEy 1.0 1.8 6.33 1245 1245 A 75 THR HB A 75 THR H 1.0 1.8 4.66 1246 1246 A 75 THR HG2% A 75 THR H 1.0 1.8 3.71 1247 1247 A 29 ASN HD22 A 25 LYS HGx 1.0 1.8 4.92 1248 1248 A 28 LEU HD2% A 29 ASN HD22 1.0 1.8 5.46 1249 1249 A 26 VAL HA A 29 ASN H 1.0 1.8 4.40 1250 1250 A 92 TYR HDx A 93 LYS H 1.0 1.8 6.08 1251 1251 A 92 TYR HDy A 93 LYS H 1.0 1.8 6.33 1252 1252 A 93 LYS H A 91 SER HBy 1.0 1.8 6.33 1253 1253 A 93 LYS H A 91 SER HBx 1.0 1.8 6.33 1254 1254 A 93 LYS H A 93 LYS HBy 1.0 1.8 4.55 1255 1255 A 93 LYS H A 93 LYS HBx 1.0 1.8 4.55 1256 1256 A 93 LYS H A 93 LYS HGy 1.0 1.8 4.73 1257 1257 A 93 LYS H A 93 LYS HGx 1.0 1.8 4.73 1258 1258 A 81 LEU HBy A 65 ASN H 1.0 1.8 3.81 1259 1259 A 49 LEU HD1% A 51 ARG H 1.0 1.8 6.11 1260 1260 A 21 LEU H A 21 LEU HBy 1.0 1.8 3.85 1261 1261 A 20 ALA HB% A 21 LEU H 1.0 1.8 3.47 1262 1262 A 73 TYR H A 72 ASP HBy 1.0 1.8 4.61 1263 1263 A 32 ARG HBx A 35 ASP H 1.0 1.8 5.29 1264 1264 A 41 ASP H A 43 ALA H 1.0 1.8 5.46 1265 1265 A 77 CYS H A 69 ARG H 1.0 1.8 4.37 1266 1266 A 9 ILE HD1% A 9 ILE H 1.0 1.8 5.04 1267 1267 A 20 ALA H A 18 ALA H 1.0 1.8 5.91 1268 1268 A 36 ILE HB A 37 VAL H 1.0 1.8 4.69 1269 1269 A 29 ASN HBy A 29 ASN H 1.0 1.8 3.57 1270 1270 A 9 ILE HB A 9 ILE H 1.0 1.8 4.05 1271 1271 A 15 ALA H A 16 ARG H 1.0 1.8 4.21 1272 1272 A 20 ALA H A 21 LEU H 1.0 1.8 3.81 1273 1273 A 21 LEU H A 22 ALA H 1.0 1.8 3.45 1274 1274 A 24 MET H A 25 LYS H 1.0 1.8 3.94 1275 1275 A 25 LYS H A 26 VAL H 1.0 1.8 4.15 1276 1276 A 42 GLY H A 43 ALA H 1.0 1.8 3.74 1277 1277 A 47 GLU H A 48 ALA H 1.0 1.8 3.73 1278 1278 A 50 LYS H A 49 LEU H 1.0 1.8 4.22 1279 1279 A 51 ARG H A 50 LYS H 1.0 1.8 3.93 1280 1280 A 55 ALA H A 56 THR H 1.0 1.8 4.15 1281 1281 A 58 LYS H A 59 ILE H 1.0 1.8 4.32 1282 1282 A 64 ARG H A 65 ASN H 1.0 1.8 3.65 1283 1283 A 74 GLY H A 73 TYR H 1.0 1.8 4.81 1284 1284 A 74 GLY H A 75 THR H 1.0 1.8 4.07 1285 1285 A 76 GLN H A 75 THR H 1.0 1.8 5.38 1286 1286 A 82 ARG H A 81 LEU H 1.0 1.8 5.19 1287 1287 A 82 ARG H A 83 THR H 1.0 1.8 5.35 1288 1288 A 83 THR H A 84 ASP H 1.0 1.8 4.26 1289 1289 A 14 PHE H A 13 GLU H 1.0 1.8 5.47 1290 1290 A 20 ALA H A 19 ASP H 1.0 1.8 3.67 1291 1291 A 22 ALA H A 23 PHE H 1.0 1.8 3.81 1292 1292 A 47 GLU H A 46 VAL H 1.0 1.8 3.69 1293 1293 A 49 LEU H A 48 ALA H 1.0 1.8 3.99 1294 1294 A 64 ARG H A 63 VAL H 1.0 1.8 5.23 1295 1295 A 66 PHE H A 65 ASN H 1.0 1.8 5.22 1296 1296 A 84 ASP H A 85 GLY H 1.0 1.8 3.76 1297 1297 A 63 VAL H A 62 GLY H 1.0 1.8 5.27 1298 1298 A 25 LYS HBy A 26 VAL H 1.0 1.8 3.84 1299 1299 A 30 ARG H A 28 LEU H 1.0 1.8 5.43 1300 1300 A 79 TRP H A 67 GLU H 1.0 1.8 4.62 1301 1301 A 32 ARG H A 35 ASP H 1.0 1.8 5.50 1302 1302 A 31 TYR HDx A 32 ARG H 1.0 1.8 4.30 1303 1303 A 66 PHE HDx A 67 GLU H 1.0 1.8 4.59 1304 1304 A 68 VAL H A 67 GLU H 1.0 1.8 5.60 1305 1305 A 31 TYR HA A 32 ARG H 1.0 1.8 3.60 1306 1306 A 32 ARG H A 31 TYR HBx 1.0 1.8 3.81 1307 1307 A 32 ARG HBx A 32 ARG H 1.0 1.8 4.68 1308 1308 A 32 ARG H A 32 ARG HGy 1.0 1.8 5.35 1309 1309 A 32 ARG H A 32 ARG HBy 1.0 1.8 3.96 1310 1310 A 37 VAL HG2% A 67 GLU H 1.0 1.8 4.59 1311 1311 A 95 CYS H A 94 LYS H 1.0 1.8 4.07 1312 1312 A 29 ASN HA A 76 GLN HE21 1.0 1.8 4.38 1313 1313 A 32 ARG HA A 76 GLN HE21 1.0 1.8 6.08 1314 1314 A 28 LEU HG A 76 GLN HE21 1.0 1.8 4.21 1315 1315 A 28 LEU HD2% A 76 GLN HE21 1.0 1.8 5.18 1316 1316 A 68 VAL HG2% A 76 GLN HE21 1.0 1.8 5.49 1317 1317 A 68 VAL HG1% A 76 GLN HE21 1.0 1.8 4.39 1318 1318 A 28 LEU HD1% A 76 GLN HE21 1.0 1.8 4.44 1319 1319 A 66 PHE HA A 67 GLU H 1.0 1.8 3.58 1320 1320 A 81 LEU HD2% A 67 GLU H 1.0 1.8 4.45 1321 1321 A 66 PHE HBx A 67 GLU H 1.0 1.8 4.36 1322 1322 A 79 TRP HBx A 67 GLU H 1.0 1.8 4.59 1323 1323 A 55 ALA H A 54 ASP HBy 1.0 1.8 5.46 1324 1324 A 37 VAL HG2% A 68 VAL H 1.0 1.8 5.11 1325 1325 A 81 LEU H A 66 PHE HDx 1.0 1.8 5.80 1326 1326 A 98 GLU H A 98 GLU HBy 1.0 1.8 4.51 1327 1327 A 97 LEU HD2% A 98 GLU H 1.0 1.8 4.89 1328 1328 A 97 LEU HD2% A 97 LEU H 1.0 1.8 5.30 1329 1329 A 89 ARG H A 88 GLU HBy 1.0 1.8 5.88 1330 1330 A 13 GLU H A 13 GLU HGx 1.0 1.8 4.85 1331 1331 A 14 PHE H A 7 ILE HB 1.0 1.8 4.39 1332 1332 A 14 PHE HA A 16 ARG H 1.0 1.8 4.89 1333 1333 A 7 ILE HB A 17 LYS H 1.0 1.8 6.33 1334 1334 A 18 ALA HB% A 17 LYS H 1.0 1.8 5.91 1335 1335 A 20 ALA HB% A 19 ASP H 1.0 1.8 5.07 1336 1336 A 19 ASP HBy A 19 ASP H 1.0 1.8 3.78 1337 1337 A 17 LYS HA A 19 ASP H 1.0 1.8 5.24 1338 1338 A 22 ALA HB% A 21 LEU H 1.0 1.8 5.26 1339 1339 A 21 LEU HBx A 22 ALA H 1.0 1.8 4.26 1340 1340 A 25 LYS H A 23 PHE H 1.0 1.8 5.39 1341 1341 A 14 PHE HEx A 23 PHE H 1.0 1.8 5.42 1342 1342 A 24 MET HBy A 24 MET H 1.0 1.8 4.45 1343 1343 A 21 LEU HA A 25 LYS H 1.0 1.8 5.24 1344 1344 A 29 ASN H A 26 VAL H 1.0 1.8 6.08 1345 1345 A 76 GLN HE22 A 28 LEU HD2% 1.0 1.8 6.33 1346 1346 A 68 VAL HG2% A 76 GLN HE22 1.0 1.8 6.33 1347 1347 A 26 VAL HA A 29 ASN HD22 1.0 1.8 6.16 1348 1348 A 29 ASN HD22 A 25 LYS HEx 1.0 1.8 6.33 1349 1349 A 29 ASN HD22 A 25 LYS HEy 1.0 1.8 6.33 1350 1350 A 29 ASN HD22 A 25 LYS HGy 1.0 1.8 4.92 1351 1351 A 26 VAL HG1% A 29 ASN HD21 1.0 1.8 6.33 1352 1352 A 29 ASN HBy A 30 ARG H 1.0 1.8 4.62 1353 1353 A 28 LEU HA A 30 ARG H 1.0 1.8 5.29 1354 1354 A 33 PRO HDy A 32 ARG H 1.0 1.8 5.69 1355 1355 A 80 ILE HA A 67 GLU H 1.0 1.8 5.59 1356 1356 A 68 VAL H A 34 GLY H 1.0 1.8 6.33 1357 1357 A 31 TYR HBx A 35 ASP H 1.0 1.8 5.76 1358 1358 A 68 VAL HG2% A 35 ASP H 1.0 1.8 5.55 1359 1359 A 38 SER H A 38 SER HBy 1.0 1.8 4.28 1360 1360 A 40 VAL H A 43 ALA HB% 1.0 1.8 5.88 1361 1361 A 66 PHE HDy A 43 ALA H 1.0 1.8 6.33 1362 1362 A 66 PHE HEx A 43 ALA H 1.0 1.8 6.33 1363 1363 A 41 ASP H A 44 PHE H 1.0 1.8 5.99 1364 1364 A 42 GLY H A 44 PHE H 1.0 1.8 5.20 1365 1365 A 45 LEU H A 46 VAL H 1.0 1.8 3.90 1366 1366 A 42 GLY H A 66 PHE HDy 1.0 1.8 5.52 1367 1367 A 66 PHE HZ A 49 LEU H 1.0 1.8 6.33 1368 1368 A 48 ALA HB% A 49 LEU H 1.0 1.8 3.54 1369 1369 A 46 VAL HG1% A 49 LEU H 1.0 1.8 5.57 1370 1370 A 94 LYS H A 94 LYS HBy 1.0 1.8 4.38 1371 1371 A 57 SER HA A 59 ILE H 1.0 1.8 5.73 1372 1372 A 60 GLY H A 58 LYS H 1.0 1.8 5.65 1373 1373 A 60 GLY H A 57 SER H 1.0 1.8 5.87 1374 1374 A 60 GLY HAx A 62 GLY H 1.0 1.8 5.12 1375 1375 A 62 GLY H A 61 PRO HDy 1.0 1.8 4.69 1376 1376 A 68 VAL H A 68 VAL HB 1.0 1.8 4.13 1377 1377 A 79 TRP H A 78 PHE HDy 1.0 1.8 5.59 1378 1378 A 79 TRP H A 79 TRP HD1 1.0 1.8 5.89 1379 1379 A 12 HIS HBy A 14 PHE HZ 1.0 1.8 4.99 1380 1380 A 46 VAL HA A 66 PHE HZ 1.0 1.8 3.90 1381 1381 A 46 VAL HB A 66 PHE HZ 1.0 1.8 5.37 1382 1382 A 49 LEU HBy A 66 PHE HZ 1.0 1.8 4.61 1383 1383 A 45 LEU HBx A 66 PHE HZ 1.0 1.8 4.82 1384 1384 A 63 VAL HG2% A 66 PHE HZ 1.0 1.8 4.46 1385 1385 A 49 LEU HD2% A 66 PHE HZ 1.0 1.8 4.44 1386 1386 A 63 VAL HG1% A 66 PHE HZ 1.0 1.8 4.14 1387 1387 A 23 PHE HDy A 14 PHE HZ 1.0 1.8 4.91 1388 1388 A 45 LEU HD1% A 90 PHE HZ 1.0 1.8 5.57 1389 1389 A 48 ALA HB% A 90 PHE HZ 1.0 1.8 4.68 1390 1390 A 49 LEU HA A 90 PHE HZ 1.0 1.8 5.54 1391 1391 A 45 LEU HA A 90 PHE HZ 1.0 1.8 5.15 1392 1392 A 45 LEU HA A 44 PHE HEx 1.0 1.8 4.88 1393 1393 A 14 PHE HEy A 12 HIS HBy 1.0 1.8 3.99 1394 1394 A 12 HIS HBy A 44 PHE HEy 1.0 1.8 4.16 1395 1395 A 44 PHE HEx A 24 MET HGy 1.0 1.8 4.58 1396 1396 A 14 PHE HEy A 14 PHE HBy 1.0 1.8 5.47 1397 1397 A 14 PHE HEx A 20 ALA HA 1.0 1.8 5.34 1398 1398 A 14 PHE HEy A 12 HIS HBx 1.0 1.8 4.82 1399 1399 A 44 PHE HEx A 24 MET HGx 1.0 1.8 4.58 1400 1400 A 14 PHE HEy A 24 MET HE% 1.0 1.8 6.33 1401 1401 A 9 ILE HB A 14 PHE HEy 1.0 1.8 4.17 1402 1402 A 9 ILE HB A 44 PHE HEy 1.0 1.8 4.19 1403 1403 A 9 ILE HG1x A 14 PHE HEy 1.0 1.8 4.77 1404 1404 A 44 PHE HEx A 48 ALA HB% 1.0 1.8 4.27 1405 1405 A 20 ALA HB% A 14 PHE HEy 1.0 1.8 4.46 1406 1406 A 7 ILE HG2% A 44 PHE HEy 1.0 1.8 6.03 1407 1407 A 9 ILE HD1% A 44 PHE HEx 1.0 1.8 5.03 1408 1408 A 9 ILE HD1% A 44 PHE HEy 1.0 1.8 5.20 1409 1409 A 9 ILE HG2% A 14 PHE HEy 1.0 1.8 5.24 1410 1410 A 9 ILE HG2% A 44 PHE HEy 1.0 1.8 4.34 1411 1411 A 44 PHE HA A 44 PHE HDx 1.0 1.8 4.23 1412 1412 A 45 LEU HA A 44 PHE HDy 1.0 1.8 4.21 1413 1413 A 44 PHE HBx A 44 PHE HDy 1.0 1.8 3.89 1414 1414 A 44 PHE HBy A 44 PHE HDx 1.0 1.8 3.81 1415 1415 A 24 MET HE% A 44 PHE HDy 1.0 1.8 5.24 1416 1416 A 10 ALA HB% A 44 PHE HDx 1.0 1.8 3.57 1417 1417 A 9 ILE HG2% A 44 PHE HDx 1.0 1.8 3.75 1418 1418 A 45 LEU HD1% A 44 PHE HDy 1.0 1.8 5.22 1419 1419 A 45 LEU H A 44 PHE HDy 1.0 1.8 4.43 1420 1420 A 23 PHE HEx A 44 PHE HDx 1.0 1.8 5.69 1421 1421 A 31 TYR H A 31 TYR HDy 1.0 1.8 4.57 1422 1422 A 28 LEU HA A 31 TYR HDy 1.0 1.8 4.62 1423 1423 A 12 HIS HE1 A 23 PHE HZ 1.0 1.8 4.46 1424 1424 A 12 HIS HE1 A 23 PHE HEy 1.0 1.8 6.33 1425 1425 A 23 PHE HEx A 12 HIS HE1 1.0 1.8 6.33 1426 1426 A 92 TYR HDy A 21 LEU HD2% 1.0 1.8 3.76 1427 1427 A 28 LEU HD2% A 92 TYR HDx 1.0 1.8 5.06 1428 1428 A 92 TYR HDy A 24 MET HE% 1.0 1.8 4.06 1429 1429 A 92 TYR HDy A 93 LYS HA 1.0 1.8 4.55 1430 1430 A 14 PHE HDy A 7 ILE HG2% 1.0 1.8 4.07 1431 1431 A 20 ALA HB% A 14 PHE HDy 1.0 1.8 4.54 1432 1432 A 44 PHE HDy A 23 PHE HEx 1.0 1.8 5.20 1433 1433 A 44 PHE HEx A 23 PHE HDy 1.0 1.8 4.34 1434 1434 A 9 ILE HB A 44 PHE HZ 1.0 1.8 4.76 1435 1435 A 48 ALA HB% A 44 PHE HZ 1.0 1.8 5.00 1436 1436 A 7 ILE HG2% A 44 PHE HZ 1.0 1.8 5.54 1437 1437 A 44 PHE HZ A 14 PHE HZ 1.0 1.8 4.73 1438 1438 A 28 LEU HA A 78 PHE HEx 1.0 1.8 5.97 1439 1439 A 14 PHE HDy A 14 PHE HBy 1.0 1.8 3.89 1440 1440 A 10 ALA HB% A 12 HIS HD2 1.0 1.8 4.13 1441 1441 A 31 TYR HEx A 38 SER H 1.0 1.8 5.83 1442 1442 A 31 TYR HDx A 35 ASP HBy 1.0 1.8 4.49 1443 1443 A 14 PHE HEx A 23 PHE HDx 1.0 1.8 6.13 1444 1444 A 14 PHE HEx A 23 PHE HDy 1.0 1.8 6.33 1445 1445 A 79 TRP HE3 A 79 TRP HBy 1.0 1.8 4.61 1446 1446 A 79 TRP HE3 A 87 GLU HBx 1.0 1.8 4.73 1447 1447 A 45 LEU HD2% A 90 PHE HDy 1.0 1.8 5.81 1448 1448 A 73 TYR HA A 73 TYR HDx 1.0 1.8 3.66 1449 1449 A 73 TYR HDy A 73 TYR HBy 1.0 1.8 3.48 1450 1450 A 73 TYR HDx A 73 TYR HBx 1.0 1.8 3.36 1451 1451 A 77 CYS HA A 92 TYR HEx 1.0 1.8 4.13 1452 1452 A 21 LEU HD2% A 92 TYR HEy 1.0 1.8 3.69 1453 1453 A 28 LEU HD2% A 92 TYR HEx 1.0 1.8 3.53 1454 1454 A 92 TYR HEy A 25 LYS HBx 1.0 1.8 4.21 1455 1455 A 21 LEU HBx A 92 TYR HEy 1.0 1.8 4.23 1456 1456 A 14 PHE H A 14 PHE HDy 1.0 1.8 4.38 1457 1457 A 14 PHE HDx A 14 PHE HBx 1.0 1.8 3.42 1458 1458 A 78 PHE HZ A 31 TYR HDy 1.0 1.8 5.05 1459 1459 A 49 LEU H A 90 PHE HZ 1.0 1.8 6.06 1460 1460 A 88 GLU HA A 79 TRP HZ3 1.0 1.8 4.49 1461 1461 A 79 TRP HBy A 79 TRP HZ3 1.0 1.8 6.24 1462 1462 A 87 GLU HBy A 79 TRP HZ3 1.0 1.8 4.57 1463 1463 A 89 ARG H A 79 TRP HZ3 1.0 1.8 5.08 1464 1464 A 78 PHE HZ A 28 LEU HBx 1.0 1.8 5.36 1465 1465 A 78 PHE HZ A 28 LEU HBy 1.0 1.8 4.80 1466 1466 A 28 LEU HD2% A 78 PHE HZ 1.0 1.8 5.80 1467 1467 A 68 VAL HG2% A 78 PHE HZ 1.0 1.8 6.00 1468 1468 A 79 TRP HA A 79 TRP HD1 1.0 1.8 5.89 1469 1469 A 92 TYR HA A 92 TYR HDx 1.0 1.8 5.50 1470 1470 A 92 TYR HDy A 92 TYR HA 1.0 1.8 5.87 1471 1471 A 77 CYS HA A 92 TYR HDx 1.0 1.8 4.85 1472 1472 A 25 LYS HA A 92 TYR HEy 1.0 1.8 5.85 1473 1473 A 93 LYS HA A 92 TYR HEy 1.0 1.8 5.62 1474 1474 A 21 LEU HA A 92 TYR HEy 1.0 1.8 4.23 1475 1475 A 90 PHE HA A 90 PHE HDy 1.0 1.8 4.84 1476 1476 A 90 PHE HDy A 80 ILE HG1y 1.0 1.8 5.64 1477 1477 A 90 PHE HDy A 80 ILE HG1x 1.0 1.8 5.64 1478 1478 A 15 ALA H A 14 PHE HDx 1.0 1.8 5.43 1479 1479 A 14 PHE HZ A 44 PHE HEy 1.0 1.8 4.86 1480 1480 A 45 LEU HD1% A 78 PHE HDx 1.0 1.8 6.05 1481 1481 A 78 PHE HDy A 45 LEU HD1% 1.0 1.8 6.26 1482 1482 A 27 MET HE% A 23 PHE HZ 1.0 1.8 5.84 1483 1483 A 12 HIS HBx A 14 PHE HZ 1.0 1.8 5.34 1484 1484 A 44 PHE HEx A 23 PHE HEx 1.0 1.8 5.82 1485 1485 A 23 PHE HEx A 44 PHE HEy 1.0 1.8 6.19 1486 1486 A 45 LEU HD1% A 44 PHE HEx 1.0 1.8 6.33 1487 1487 A 79 TRP HZ2 A 89 ARG HDy 1.0 1.8 5.24 1488 1488 A 79 TRP HZ2 A 89 ARG HDx 1.0 1.8 5.24 1489 1489 A 31 TYR HEy A 37 VAL HG1% 1.0 1.8 4.93 1490 1490 A 79 TRP HE3 A 87 GLU HBy 1.0 1.8 5.21 1491 1491 A 78 PHE HZ A 45 LEU HD2% 1.0 1.8 6.04 1492 1492 A 3 LYS HA A 3 LYS HGx 1.0 1.8 4.30 1493 1492 A 3 LYS HA A 3 LYS HGy 1.0 1.8 4.30 1494 1493 A 4 ALA H A 3 LYS HBx 1.0 1.8 5.06 1495 1493 A 4 ALA H A 3 LYS HBy 1.0 1.8 5.06 1496 1494 A 4 ALA HA A 5 GLN HBy 1.0 1.8 5.06 1497 1494 A 4 ALA HA A 5 GLN HBx 1.0 1.8 5.06 1498 1495 A 4 ALA HA A 5 GLN HGx 1.0 1.8 6.14 1499 1495 A 4 ALA HA A 5 GLN HGy 1.0 1.8 6.14 1500 1496 A 4 ALA HB% A 5 GLN HGx 1.0 1.8 5.20 1501 1496 A 4 ALA HB% A 5 GLN HGy 1.0 1.8 5.20 1502 1497 A 5 GLN H A 5 GLN HBy 1.0 1.8 3.69 1503 1497 A 5 GLN H A 5 GLN HBx 1.0 1.8 3.69 1504 1498 A 5 GLN H A 5 GLN HGx 1.0 1.8 3.92 1505 1498 A 5 GLN H A 5 GLN HGy 1.0 1.8 3.92 1506 1499 A 5 GLN H A 6 PRO HDx 1.0 1.8 5.54 1507 1499 A 5 GLN H A 6 PRO HDy 1.0 1.8 5.54 1508 1500 A 5 GLN HA A 5 GLN HGx 1.0 1.8 4.15 1509 1500 A 5 GLN HA A 5 GLN HGy 1.0 1.8 4.15 1510 1501 A 5 GLN HA A 6 PRO HDx 1.0 1.8 2.81 1511 1501 A 5 GLN HA A 6 PRO HDy 1.0 1.8 2.81 1512 1502 A 5 GLN HBx A 6 PRO HDx 1.0 1.8 4.11 1513 1502 A 5 GLN HBy A 6 PRO HDx 1.0 1.8 4.11 1514 1502 A 6 PRO HDy A 5 GLN HBy 1.0 1.8 4.11 1515 1502 A 5 GLN HBx A 6 PRO HDy 1.0 1.8 4.11 1516 1503 A 5 GLN HE22 A 5 GLN HGx 1.0 1.8 3.65 1517 1503 A 5 GLN HE21 A 5 GLN HGx 1.0 1.8 3.65 1518 1503 A 5 GLN HGy A 5 GLN HE22 1.0 1.8 3.65 1519 1503 A 5 GLN HGy A 5 GLN HE21 1.0 1.8 3.65 1520 1504 A 5 GLN HGx A 6 PRO HDx 1.0 1.8 4.29 1521 1504 A 5 GLN HGy A 6 PRO HDx 1.0 1.8 4.29 1522 1504 A 6 PRO HDy A 5 GLN HGx 1.0 1.8 4.29 1523 1504 A 5 GLN HGy A 6 PRO HDy 1.0 1.8 4.29 1524 1505 A 5 GLN HE22 A 6 PRO HDx 1.0 1.8 5.60 1525 1505 A 5 GLN HE21 A 6 PRO HDx 1.0 1.8 5.60 1526 1505 A 6 PRO HDy A 5 GLN HE22 1.0 1.8 5.60 1527 1505 A 6 PRO HDy A 5 GLN HE21 1.0 1.8 5.60 1528 1506 A 7 ILE H A 6 PRO HBx 1.0 1.8 3.60 1529 1506 A 7 ILE H A 6 PRO HBy 1.0 1.8 3.60 1530 1507 A 7 ILE HD1% A 6 PRO HBx 1.0 1.8 4.85 1531 1507 A 7 ILE HD1% A 6 PRO HBy 1.0 1.8 4.85 1532 1508 A 14 PHE H A 6 PRO HBx 1.0 1.8 4.97 1533 1508 A 14 PHE H A 6 PRO HBy 1.0 1.8 4.97 1534 1509 A 15 ALA HA A 6 PRO HBx 1.0 1.8 4.13 1535 1509 A 15 ALA HA A 6 PRO HBy 1.0 1.8 4.13 1536 1510 A 7 ILE H A 6 PRO HGy 1.0 1.8 5.22 1537 1510 A 7 ILE H A 6 PRO HGx 1.0 1.8 5.22 1538 1511 A 15 ALA HA A 6 PRO HGy 1.0 1.8 6.15 1539 1511 A 15 ALA HA A 6 PRO HGx 1.0 1.8 6.15 1540 1512 A 8 GLU H A 8 GLU HBy 1.0 1.8 3.40 1541 1512 A 8 GLU H A 8 GLU HBx 1.0 1.8 3.40 1542 1513 A 8 GLU H A 8 GLU HGy 1.0 1.8 5.37 1543 1513 A 8 GLU H A 8 GLU HGx 1.0 1.8 5.37 1544 1514 A 8 GLU HA A 8 GLU HGy 1.0 1.8 4.08 1545 1514 A 8 GLU HA A 8 GLU HGx 1.0 1.8 4.08 1546 1515 A 8 GLU HA A 13 GLU HGy 1.0 1.8 6.14 1547 1515 A 8 GLU HA A 13 GLU HGx 1.0 1.8 6.14 1548 1516 A 9 ILE H A 8 GLU HGy 1.0 1.8 3.82 1549 1516 A 9 ILE H A 8 GLU HGx 1.0 1.8 3.82 1550 1517 A 11 GLY H A 8 GLU HGy 1.0 1.8 4.47 1551 1517 A 11 GLY H A 8 GLU HGx 1.0 1.8 4.47 1552 1518 A 8 GLU HGx A 11 GLY HAy 1.0 1.8 5.51 1553 1518 A 8 GLU HGy A 11 GLY HAy 1.0 1.8 5.51 1554 1518 A 11 GLY HAx A 8 GLU HGy 1.0 1.8 5.51 1555 1518 A 8 GLU HGx A 11 GLY HAx 1.0 1.8 5.51 1556 1519 A 13 GLU HA A 8 GLU HGy 1.0 1.8 4.98 1557 1519 A 13 GLU HA A 8 GLU HGx 1.0 1.8 4.98 1558 1520 A 9 ILE HD1% A 51 ARG HDx 1.0 1.8 4.90 1559 1520 A 9 ILE HD1% A 51 ARG HDy 1.0 1.8 4.90 1560 1521 A 10 ALA H A 47 GLU HGy 1.0 1.8 5.24 1561 1521 A 10 ALA H A 47 GLU HGx 1.0 1.8 5.24 1562 1522 A 10 ALA HA A 11 GLY HAy 1.0 1.8 5.46 1563 1522 A 10 ALA HA A 11 GLY HAx 1.0 1.8 5.46 1564 1523 A 10 ALA HA A 47 GLU HGy 1.0 1.8 4.47 1565 1523 A 10 ALA HA A 47 GLU HGx 1.0 1.8 4.47 1566 1524 A 10 ALA HB% A 47 GLU HGy 1.0 1.8 3.92 1567 1524 A 10 ALA HB% A 47 GLU HGx 1.0 1.8 3.92 1568 1525 A 11 GLY H A 47 GLU HGy 1.0 1.8 6.11 1569 1525 A 11 GLY H A 47 GLU HGx 1.0 1.8 6.11 1570 1526 A 13 GLU H A 13 GLU HBx 1.0 1.8 4.21 1571 1526 A 13 GLU H A 13 GLU HBy 1.0 1.8 4.21 1572 1527 A 13 GLU H A 13 GLU HGy 1.0 1.8 3.98 1573 1527 A 13 GLU H A 13 GLU HGx 1.0 1.8 3.98 1574 1528 A 13 GLU HA A 13 GLU HGy 1.0 1.8 4.28 1575 1528 A 13 GLU HA A 13 GLU HGx 1.0 1.8 4.28 1576 1529 A 14 PHE H A 13 GLU HBx 1.0 1.8 4.83 1577 1529 A 14 PHE H A 13 GLU HBy 1.0 1.8 4.83 1578 1530 A 14 PHE H A 13 GLU HGy 1.0 1.8 4.85 1579 1530 A 14 PHE H A 13 GLU HGx 1.0 1.8 4.85 1580 1531 A 14 PHE HEx A 23 PHE HBx 1.0 1.8 4.23 1581 1531 A 14 PHE HEx A 23 PHE HBy 1.0 1.8 4.23 1582 1532 A 16 ARG H A 16 ARG HBx 1.0 1.8 3.77 1583 1532 A 16 ARG H A 16 ARG HBy 1.0 1.8 3.77 1584 1533 A 16 ARG H A 16 ARG HGx 1.0 1.8 5.07 1585 1533 A 16 ARG H A 16 ARG HGy 1.0 1.8 5.07 1586 1534 A 16 ARG HA A 16 ARG HDx 1.0 1.8 4.89 1587 1534 A 16 ARG HA A 16 ARG HDy 1.0 1.8 4.89 1588 1535 A 18 ALA H A 16 ARG HBx 1.0 1.8 4.58 1589 1535 A 18 ALA H A 16 ARG HBy 1.0 1.8 4.58 1590 1536 A 19 ASP H A 16 ARG HBx 1.0 1.8 4.77 1591 1536 A 19 ASP H A 16 ARG HBy 1.0 1.8 4.77 1592 1537 A 19 ASP HBy A 16 ARG HBx 1.0 1.8 5.78 1593 1537 A 19 ASP HBy A 16 ARG HBy 1.0 1.8 5.78 1594 1538 A 19 ASP H A 16 ARG HGx 1.0 1.8 4.05 1595 1538 A 19 ASP H A 16 ARG HGy 1.0 1.8 4.05 1596 1539 A 19 ASP HBy A 16 ARG HGx 1.0 1.8 6.14 1597 1539 A 19 ASP HBy A 16 ARG HGy 1.0 1.8 6.14 1598 1540 A 19 ASP H A 16 ARG HDx 1.0 1.8 4.75 1599 1540 A 19 ASP H A 16 ARG HDy 1.0 1.8 4.75 1600 1541 A 21 LEU HD1% A 17 LYS HGx 1.0 1.8 4.55 1601 1541 A 21 LEU HD1% A 17 LYS HGy 1.0 1.8 4.55 1602 1542 A 96 VAL HA A 17 LYS HGx 1.0 1.8 5.22 1603 1542 A 96 VAL HA A 17 LYS HGy 1.0 1.8 5.22 1604 1543 A 96 VAL HG1% A 17 LYS HGx 1.0 1.8 4.27 1605 1543 A 96 VAL HG1% A 17 LYS HGy 1.0 1.8 4.27 1606 1544 A 96 VAL HG2% A 17 LYS HGx 1.0 1.8 5.24 1607 1544 A 96 VAL HG2% A 17 LYS HGy 1.0 1.8 5.24 1608 1545 A 20 ALA H A 17 LYS HDx 1.0 1.8 5.97 1609 1545 A 20 ALA H A 17 LYS HDy 1.0 1.8 5.97 1610 1546 A 20 ALA HB% A 17 LYS HDx 1.0 1.8 5.11 1611 1546 A 20 ALA HB% A 17 LYS HDy 1.0 1.8 5.11 1612 1547 A 96 VAL HG1% A 17 LYS HDx 1.0 1.8 4.66 1613 1547 A 96 VAL HG1% A 17 LYS HDy 1.0 1.8 4.66 1614 1548 A 96 VAL HG2% A 17 LYS HDx 1.0 1.8 5.24 1615 1548 A 96 VAL HG2% A 17 LYS HDy 1.0 1.8 5.24 1616 1549 A 21 LEU HD1% A 17 LYS HEx 1.0 1.8 4.17 1617 1549 A 21 LEU HD1% A 17 LYS HEy 1.0 1.8 4.17 1618 1550 A 20 ALA HA A 23 PHE HBx 1.0 1.8 5.19 1619 1550 A 20 ALA HA A 23 PHE HBy 1.0 1.8 5.19 1620 1551 A 20 ALA HB% A 23 PHE HBx 1.0 1.8 5.74 1621 1551 A 20 ALA HB% A 23 PHE HBy 1.0 1.8 5.74 1622 1552 A 20 ALA HB% A 24 MET HGx 1.0 1.8 5.44 1623 1552 A 20 ALA HB% A 24 MET HGy 1.0 1.8 5.44 1624 1553 A 21 LEU HA A 24 MET HGx 1.0 1.8 5.62 1625 1553 A 21 LEU HA A 24 MET HGy 1.0 1.8 5.62 1626 1554 A 21 LEU HD1% A 93 LYS HBx 1.0 1.8 3.68 1627 1554 A 21 LEU HD1% A 93 LYS HBy 1.0 1.8 3.68 1628 1555 A 21 LEU HD2% A 93 LYS HBx 1.0 1.8 4.81 1629 1555 A 21 LEU HD2% A 93 LYS HBy 1.0 1.8 4.81 1630 1556 A 22 ALA H A 23 PHE HBx 1.0 1.8 5.49 1631 1556 A 22 ALA H A 23 PHE HBy 1.0 1.8 5.49 1632 1557 A 22 ALA HB% A 23 PHE HBx 1.0 1.8 4.97 1633 1557 A 22 ALA HB% A 23 PHE HBy 1.0 1.8 4.97 1634 1558 A 24 MET H A 23 PHE HBx 1.0 1.8 4.09 1635 1558 A 24 MET H A 23 PHE HBy 1.0 1.8 4.09 1636 1559 A 25 LYS H A 23 PHE HBx 1.0 1.8 6.14 1637 1559 A 25 LYS H A 23 PHE HBy 1.0 1.8 6.14 1638 1560 A 23 PHE HDy A 24 MET HGx 1.0 1.8 5.16 1639 1560 A 23 PHE HDy A 24 MET HGy 1.0 1.8 5.16 1640 1561 A 24 MET H A 24 MET HGx 1.0 1.8 3.96 1641 1561 A 24 MET H A 24 MET HGy 1.0 1.8 3.96 1642 1562 A 24 MET HA A 24 MET HGx 1.0 1.8 3.89 1643 1562 A 24 MET HA A 24 MET HGy 1.0 1.8 3.89 1644 1563 A 24 MET HA A 27 MET HBx 1.0 1.8 5.01 1645 1563 A 24 MET HA A 27 MET HBy 1.0 1.8 5.01 1646 1564 A 25 LYS H A 24 MET HGx 1.0 1.8 5.70 1647 1564 A 25 LYS H A 24 MET HGy 1.0 1.8 5.70 1648 1565 A 27 MET HE% A 24 MET HGx 1.0 1.8 4.09 1649 1565 A 27 MET HE% A 24 MET HGy 1.0 1.8 4.09 1650 1566 A 44 PHE HEx A 24 MET HGx 1.0 1.8 3.94 1651 1566 A 44 PHE HEx A 24 MET HGy 1.0 1.8 3.94 1652 1567 A 45 LEU HD2% A 24 MET HGx 1.0 1.8 4.83 1653 1567 A 45 LEU HD2% A 24 MET HGy 1.0 1.8 4.83 1654 1568 A 24 MET HE% A 95 CYS HBy 1.0 1.8 6.14 1655 1568 A 24 MET HE% A 95 CYS HBx 1.0 1.8 6.14 1656 1569 A 25 LYS H A 25 LYS HGx 1.0 1.8 5.01 1657 1569 A 25 LYS H A 25 LYS HGy 1.0 1.8 5.01 1658 1570 A 25 LYS HA A 25 LYS HGx 1.0 1.8 3.89 1659 1570 A 25 LYS HA A 25 LYS HGy 1.0 1.8 3.89 1660 1571 A 26 VAL H A 25 LYS HGx 1.0 1.8 5.06 1661 1571 A 26 VAL H A 25 LYS HGy 1.0 1.8 5.06 1662 1572 A 26 VAL HG1% A 30 ARG HBx 1.0 1.8 4.44 1663 1572 A 26 VAL HG1% A 30 ARG HBy 1.0 1.8 4.44 1664 1573 A 27 MET H A 27 MET HGx 1.0 1.8 4.67 1665 1573 A 27 MET H A 27 MET HGy 1.0 1.8 4.67 1666 1574 A 27 MET H A 30 ARG HBx 1.0 1.8 5.97 1667 1574 A 27 MET H A 30 ARG HBy 1.0 1.8 5.97 1668 1575 A 27 MET HA A 27 MET HGx 1.0 1.8 4.05 1669 1575 A 27 MET HA A 27 MET HGy 1.0 1.8 4.05 1670 1576 A 27 MET HA A 30 ARG HBx 1.0 1.8 4.36 1671 1576 A 27 MET HA A 30 ARG HBy 1.0 1.8 4.36 1672 1577 A 27 MET HA A 30 ARG HGx 1.0 1.8 5.30 1673 1577 A 27 MET HA A 30 ARG HGy 1.0 1.8 5.30 1674 1578 A 28 LEU H A 27 MET HBx 1.0 1.8 4.35 1675 1578 A 28 LEU H A 27 MET HBy 1.0 1.8 4.35 1676 1579 A 78 PHE HZ A 27 MET HBx 1.0 1.8 5.31 1677 1579 A 78 PHE HZ A 27 MET HBy 1.0 1.8 5.31 1678 1580 A 27 MET HE% A 27 MET HGx 1.0 1.8 3.69 1679 1580 A 27 MET HE% A 27 MET HGy 1.0 1.8 3.69 1680 1581 A 28 LEU H A 27 MET HGx 1.0 1.8 5.23 1681 1581 A 28 LEU H A 27 MET HGy 1.0 1.8 5.23 1682 1582 A 29 ASN H A 27 MET HGx 1.0 1.8 6.14 1683 1582 A 29 ASN H A 27 MET HGy 1.0 1.8 6.14 1684 1583 A 78 PHE HZ A 27 MET HGx 1.0 1.8 4.34 1685 1583 A 78 PHE HZ A 27 MET HGy 1.0 1.8 4.34 1686 1584 A 27 MET HE% A 41 ASP HBy 1.0 1.8 4.21 1687 1584 A 27 MET HE% A 41 ASP HBx 1.0 1.8 4.21 1688 1585 A 28 LEU HD1% A 76 GLN HBx 1.0 1.8 5.42 1689 1585 A 28 LEU HD1% A 76 GLN HBy 1.0 1.8 5.42 1690 1586 A 28 LEU HD1% A 78 PHE HBy 1.0 1.8 5.44 1691 1586 A 28 LEU HD1% A 78 PHE HBx 1.0 1.8 5.44 1692 1587 A 28 LEU HD2% A 76 GLN HBx 1.0 1.8 4.83 1693 1587 A 28 LEU HD2% A 76 GLN HBy 1.0 1.8 4.83 1694 1588 A 28 LEU HD2% A 77 CYS HBy 1.0 1.8 5.00 1695 1588 A 28 LEU HD2% A 77 CYS HBx 1.0 1.8 5.00 1696 1589 A 28 LEU HD2% A 78 PHE HBy 1.0 1.8 5.43 1697 1589 A 28 LEU HD2% A 78 PHE HBx 1.0 1.8 5.43 1698 1590 A 29 ASN H A 30 ARG HBx 1.0 1.8 5.18 1699 1590 A 29 ASN H A 30 ARG HBy 1.0 1.8 5.18 1700 1591 A 30 ARG H A 30 ARG HBx 1.0 1.8 3.31 1701 1591 A 30 ARG H A 30 ARG HBy 1.0 1.8 3.31 1702 1592 A 30 ARG H A 30 ARG HGx 1.0 1.8 4.59 1703 1592 A 30 ARG H A 30 ARG HGy 1.0 1.8 4.59 1704 1593 A 30 ARG H A 30 ARG HDy 1.0 1.8 5.78 1705 1593 A 30 ARG H A 30 ARG HDx 1.0 1.8 5.78 1706 1594 A 30 ARG HA A 30 ARG HGx 1.0 1.8 4.14 1707 1594 A 30 ARG HGy A 30 ARG HA 1.0 1.8 4.14 1708 1595 A 30 ARG HBx A 30 ARG HGx 1.0 1.8 2.54 1709 1595 A 30 ARG HGy A 30 ARG HBx 1.0 1.8 2.54 1710 1595 A 30 ARG HBy A 30 ARG HGy 1.0 1.8 2.54 1711 1595 A 30 ARG HBy A 30 ARG HGx 1.0 1.8 2.54 1712 1596 A 30 ARG HBy A 30 ARG HDy 1.0 1.8 3.59 1713 1596 A 30 ARG HDx A 30 ARG HBx 1.0 1.8 3.59 1714 1596 A 30 ARG HBy A 30 ARG HDx 1.0 1.8 3.59 1715 1596 A 30 ARG HBx A 30 ARG HDy 1.0 1.8 3.59 1716 1597 A 31 TYR H A 30 ARG HBx 1.0 1.8 4.14 1717 1597 A 31 TYR H A 30 ARG HBy 1.0 1.8 4.14 1718 1598 A 31 TYR HDx A 30 ARG HBx 1.0 1.8 6.14 1719 1598 A 31 TYR HDx A 30 ARG HBy 1.0 1.8 6.14 1720 1599 A 31 TYR HEy A 30 ARG HBx 1.0 1.8 6.14 1721 1599 A 31 TYR HEy A 30 ARG HBy 1.0 1.8 6.14 1722 1600 A 31 TYR HDy A 30 ARG HBx 1.0 1.8 6.14 1723 1600 A 31 TYR HDy A 30 ARG HBy 1.0 1.8 6.14 1724 1601 A 31 TYR H A 30 ARG HGx 1.0 1.8 5.97 1725 1601 A 31 TYR H A 30 ARG HGy 1.0 1.8 5.97 1726 1602 A 31 TYR H A 30 ARG HDy 1.0 1.8 5.00 1727 1602 A 31 TYR H A 30 ARG HDx 1.0 1.8 5.00 1728 1603 A 31 TYR HEy A 41 ASP HBy 1.0 1.8 5.59 1729 1603 A 31 TYR HEy A 41 ASP HBx 1.0 1.8 5.59 1730 1604 A 32 ARG H A 32 ARG HGy 1.0 1.8 4.62 1731 1604 A 32 ARG H A 32 ARG HGx 1.0 1.8 4.62 1732 1605 A 32 ARG HA A 32 ARG HGy 1.0 1.8 4.14 1733 1605 A 32 ARG HA A 32 ARG HGx 1.0 1.8 4.14 1734 1606 A 32 ARG HA A 32 ARG HDy 1.0 1.8 4.81 1735 1606 A 32 ARG HA A 32 ARG HDx 1.0 1.8 4.81 1736 1607 A 32 ARG HA A 33 PRO HGy 1.0 1.8 5.21 1737 1607 A 32 ARG HA A 33 PRO HGx 1.0 1.8 5.21 1738 1608 A 32 ARG HBy A 32 ARG HDy 1.0 1.8 4.03 1739 1608 A 32 ARG HBy A 32 ARG HDx 1.0 1.8 4.03 1740 1609 A 33 PRO HDy A 32 ARG HGy 1.0 1.8 5.04 1741 1609 A 33 PRO HDy A 32 ARG HGx 1.0 1.8 5.04 1742 1610 A 33 PRO HDx A 32 ARG HGy 1.0 1.8 4.66 1743 1610 A 33 PRO HDx A 32 ARG HGx 1.0 1.8 4.66 1744 1611 A 34 GLY H A 33 PRO HBy 1.0 1.8 4.69 1745 1611 A 34 GLY H A 33 PRO HBx 1.0 1.8 4.69 1746 1612 A 69 ARG HA A 33 PRO HBy 1.0 1.8 5.14 1747 1612 A 69 ARG HA A 33 PRO HBx 1.0 1.8 5.14 1748 1613 A 70 SER H A 33 PRO HBy 1.0 1.8 4.66 1749 1613 A 70 SER H A 33 PRO HBx 1.0 1.8 4.66 1750 1614 A 69 ARG HA A 33 PRO HGy 1.0 1.8 6.15 1751 1614 A 69 ARG HA A 33 PRO HGx 1.0 1.8 6.15 1752 1615 A 36 ILE HA A 36 ILE HG1x 1.0 1.8 4.29 1753 1615 A 36 ILE HA A 36 ILE HG1y 1.0 1.8 4.29 1754 1616 A 36 ILE HG2% A 65 ASN HD21 1.0 1.8 4.42 1755 1616 A 36 ILE HG2% A 65 ASN HD22 1.0 1.8 4.42 1756 1617 A 37 VAL H A 36 ILE HG1x 1.0 1.8 5.46 1757 1617 A 37 VAL H A 36 ILE HG1y 1.0 1.8 5.46 1758 1618 A 65 ASN HBy A 36 ILE HG1x 1.0 1.8 6.14 1759 1618 A 65 ASN HBy A 36 ILE HG1y 1.0 1.8 6.14 1760 1619 A 36 ILE HD1% A 67 GLU HBy 1.0 1.8 4.37 1761 1619 A 36 ILE HD1% A 67 GLU HBx 1.0 1.8 4.37 1762 1620 A 36 ILE HD1% A 67 GLU HGy 1.0 1.8 4.19 1763 1620 A 36 ILE HD1% A 67 GLU HGx 1.0 1.8 4.19 1764 1621 A 37 VAL HB A 41 ASP HBy 1.0 1.8 5.29 1765 1621 A 37 VAL HB A 41 ASP HBx 1.0 1.8 5.29 1766 1622 A 37 VAL HG1% A 41 ASP HBy 1.0 1.8 3.74 1767 1622 A 37 VAL HG1% A 41 ASP HBx 1.0 1.8 3.74 1768 1623 A 37 VAL HG2% A 78 PHE HBy 1.0 1.8 6.14 1769 1623 A 37 VAL HG2% A 78 PHE HBx 1.0 1.8 6.14 1770 1624 A 38 SER H A 41 ASP HBy 1.0 1.8 4.31 1771 1624 A 38 SER H A 41 ASP HBx 1.0 1.8 4.31 1772 1625 A 39 THR H A 38 SER HBy 1.0 1.8 4.42 1773 1625 A 39 THR H A 38 SER HBx 1.0 1.8 4.42 1774 1626 A 39 THR HG2% A 38 SER HBy 1.0 1.8 5.99 1775 1626 A 39 THR HG2% A 38 SER HBx 1.0 1.8 5.99 1776 1627 A 40 VAL H A 38 SER HBy 1.0 1.8 4.09 1777 1627 A 40 VAL H A 38 SER HBx 1.0 1.8 4.09 1778 1628 A 40 VAL HG2% A 38 SER HBy 1.0 1.8 4.95 1779 1628 A 40 VAL HG2% A 38 SER HBx 1.0 1.8 4.95 1780 1629 A 40 VAL HB A 41 ASP HBy 1.0 1.8 6.14 1781 1629 A 40 VAL HB A 41 ASP HBx 1.0 1.8 6.14 1782 1630 A 41 ASP H A 41 ASP HBy 1.0 1.8 3.52 1783 1630 A 41 ASP H A 41 ASP HBx 1.0 1.8 3.52 1784 1631 A 42 GLY H A 41 ASP HBy 1.0 1.8 4.09 1785 1631 A 42 GLY H A 41 ASP HBx 1.0 1.8 4.09 1786 1632 A 46 VAL HG1% A 47 GLU HGy 1.0 1.8 4.90 1787 1632 A 46 VAL HG1% A 47 GLU HGx 1.0 1.8 4.90 1788 1633 A 46 VAL HG1% A 50 LYS HEy 1.0 1.8 3.82 1789 1633 A 46 VAL HG1% A 50 LYS HEx 1.0 1.8 3.82 1790 1634 A 47 GLU H A 47 GLU HGy 1.0 1.8 3.76 1791 1634 A 47 GLU H A 47 GLU HGx 1.0 1.8 3.76 1792 1635 A 47 GLU H A 50 LYS HDy 1.0 1.8 5.74 1793 1635 A 47 GLU H A 50 LYS HDx 1.0 1.8 5.74 1794 1636 A 47 GLU HA A 47 GLU HGy 1.0 1.8 4.17 1795 1636 A 47 GLU HA A 47 GLU HGx 1.0 1.8 4.17 1796 1637 A 47 GLU HA A 50 LYS HDy 1.0 1.8 4.43 1797 1637 A 47 GLU HA A 50 LYS HDx 1.0 1.8 4.43 1798 1638 A 47 GLU HA A 50 LYS HEy 1.0 1.8 5.38 1799 1638 A 47 GLU HA A 50 LYS HEx 1.0 1.8 5.38 1800 1639 A 48 ALA H A 47 GLU HGy 1.0 1.8 4.92 1801 1639 A 48 ALA H A 47 GLU HGx 1.0 1.8 4.92 1802 1640 A 47 GLU HGy A 50 LYS HDy 1.0 1.8 5.30 1803 1640 A 50 LYS HDx A 47 GLU HGy 1.0 1.8 5.30 1804 1640 A 47 GLU HGx A 50 LYS HDx 1.0 1.8 5.30 1805 1640 A 47 GLU HGx A 50 LYS HDy 1.0 1.8 5.30 1806 1641 A 48 ALA HA A 51 ARG HBx 1.0 1.8 4.62 1807 1641 A 48 ALA HA A 51 ARG HBy 1.0 1.8 4.62 1808 1642 A 48 ALA HA A 51 ARG HGx 1.0 1.8 4.62 1809 1642 A 48 ALA HA A 51 ARG HGy 1.0 1.8 4.62 1810 1643 A 48 ALA HA A 51 ARG HDx 1.0 1.8 4.50 1811 1643 A 48 ALA HA A 51 ARG HDy 1.0 1.8 4.50 1812 1644 A 49 LEU HA A 52 HIS HBx 1.0 1.8 4.66 1813 1644 A 49 LEU HA A 52 HIS HBy 1.0 1.8 4.66 1814 1645 A 49 LEU HG A 59 ILE HG1x 1.0 1.8 5.24 1815 1645 A 49 LEU HG A 59 ILE HG1y 1.0 1.8 5.24 1816 1646 A 49 LEU HD1% A 52 HIS HBx 1.0 1.8 4.26 1817 1646 A 49 LEU HD1% A 52 HIS HBy 1.0 1.8 4.26 1818 1647 A 49 LEU HD1% A 58 LYS HBx 1.0 1.8 4.54 1819 1647 A 49 LEU HD1% A 58 LYS HBy 1.0 1.8 4.54 1820 1648 A 49 LEU HD2% A 59 ILE HG1x 1.0 1.8 3.98 1821 1648 A 49 LEU HD2% A 59 ILE HG1y 1.0 1.8 3.98 1822 1649 A 50 LYS H A 50 LYS HBx 1.0 1.8 3.21 1823 1649 A 50 LYS H A 50 LYS HBy 1.0 1.8 3.21 1824 1650 A 50 LYS H A 50 LYS HDy 1.0 1.8 4.89 1825 1650 A 50 LYS H A 50 LYS HDx 1.0 1.8 4.89 1826 1651 A 50 LYS HA A 50 LYS HGx 1.0 1.8 4.09 1827 1651 A 50 LYS HA A 50 LYS HGy 1.0 1.8 4.09 1828 1652 A 50 LYS HEy A 50 LYS HGx 1.0 1.8 3.28 1829 1652 A 50 LYS HEx A 50 LYS HGx 1.0 1.8 3.28 1830 1652 A 50 LYS HGy A 50 LYS HEy 1.0 1.8 3.28 1831 1652 A 50 LYS HEx A 50 LYS HGy 1.0 1.8 3.28 1832 1653 A 51 ARG H A 50 LYS HGx 1.0 1.8 6.14 1833 1653 A 51 ARG H A 50 LYS HGy 1.0 1.8 6.14 1834 1654 A 59 ILE HD1% A 50 LYS HGx 1.0 1.8 4.27 1835 1654 A 59 ILE HD1% A 50 LYS HGy 1.0 1.8 4.27 1836 1655 A 59 ILE HD1% A 50 LYS HEy 1.0 1.8 4.66 1837 1655 A 59 ILE HD1% A 50 LYS HEx 1.0 1.8 4.66 1838 1656 A 51 ARG H A 51 ARG HBx 1.0 1.8 3.53 1839 1656 A 51 ARG H A 51 ARG HBy 1.0 1.8 3.53 1840 1657 A 51 ARG H A 51 ARG HGx 1.0 1.8 3.61 1841 1657 A 51 ARG H A 51 ARG HGy 1.0 1.8 3.61 1842 1658 A 51 ARG H A 51 ARG HDx 1.0 1.8 5.45 1843 1658 A 51 ARG H A 51 ARG HDy 1.0 1.8 5.45 1844 1659 A 51 ARG HA A 51 ARG HGx 1.0 1.8 4.26 1845 1659 A 51 ARG HA A 51 ARG HGy 1.0 1.8 4.26 1846 1660 A 51 ARG HA A 51 ARG HDx 1.0 1.8 5.34 1847 1660 A 51 ARG HA A 51 ARG HDy 1.0 1.8 5.34 1848 1661 A 51 ARG HBx A 51 ARG HDx 1.0 1.8 3.75 1849 1661 A 51 ARG HBy A 51 ARG HDx 1.0 1.8 3.75 1850 1661 A 51 ARG HDy A 51 ARG HBx 1.0 1.8 3.75 1851 1661 A 51 ARG HDy A 51 ARG HBy 1.0 1.8 3.75 1852 1662 A 52 HIS H A 52 HIS HBx 1.0 1.8 3.78 1853 1662 A 52 HIS H A 52 HIS HBy 1.0 1.8 3.78 1854 1663 A 52 HIS HA A 53 PRO HDx 1.0 1.8 3.48 1855 1663 A 52 HIS HA A 53 PRO HDy 1.0 1.8 3.48 1856 1664 A 52 HIS HBx A 53 PRO HDx 1.0 1.8 5.24 1857 1664 A 52 HIS HBy A 53 PRO HDx 1.0 1.8 5.24 1858 1664 A 53 PRO HDy A 52 HIS HBx 1.0 1.8 5.24 1859 1664 A 52 HIS HBy A 53 PRO HDy 1.0 1.8 5.24 1860 1665 A 55 ALA H A 52 HIS HBx 1.0 1.8 4.47 1861 1665 A 55 ALA H A 52 HIS HBy 1.0 1.8 4.47 1862 1666 A 55 ALA HA A 52 HIS HBx 1.0 1.8 4.54 1863 1666 A 55 ALA HA A 52 HIS HBy 1.0 1.8 4.54 1864 1667 A 55 ALA HB% A 52 HIS HBx 1.0 1.8 4.26 1865 1667 A 55 ALA HB% A 52 HIS HBy 1.0 1.8 4.26 1866 1668 A 53 PRO HGy A 54 ASP HBy 1.0 1.8 5.68 1867 1668 A 53 PRO HGy A 54 ASP HBx 1.0 1.8 5.68 1868 1669 A 55 ALA HB% A 53 PRO HDx 1.0 1.8 5.50 1869 1669 A 55 ALA HB% A 53 PRO HDy 1.0 1.8 5.50 1870 1670 A 54 ASP H A 54 ASP HBy 1.0 1.8 3.94 1871 1670 A 54 ASP H A 54 ASP HBx 1.0 1.8 3.94 1872 1671 A 55 ALA H A 54 ASP HBy 1.0 1.8 4.81 1873 1671 A 55 ALA H A 54 ASP HBx 1.0 1.8 4.81 1874 1672 A 56 THR HG2% A 54 ASP HBy 1.0 1.8 6.14 1875 1672 A 56 THR HG2% A 54 ASP HBx 1.0 1.8 6.14 1876 1673 A 57 SER H A 54 ASP HBy 1.0 1.8 5.87 1877 1673 A 57 SER H A 54 ASP HBx 1.0 1.8 5.87 1878 1674 A 54 ASP HBy A 58 LYS HGx 1.0 1.8 5.16 1879 1674 A 58 LYS HGy A 54 ASP HBy 1.0 1.8 5.16 1880 1674 A 54 ASP HBx A 58 LYS HGy 1.0 1.8 5.16 1881 1674 A 54 ASP HBx A 58 LYS HGx 1.0 1.8 5.16 1882 1675 A 55 ALA HA A 58 LYS HBx 1.0 1.8 4.83 1883 1675 A 55 ALA HA A 58 LYS HBy 1.0 1.8 4.83 1884 1676 A 55 ALA HA A 58 LYS HGx 1.0 1.8 5.28 1885 1676 A 55 ALA HA A 58 LYS HGy 1.0 1.8 5.28 1886 1677 A 57 SER H A 57 SER HBx 1.0 1.8 3.38 1887 1677 A 57 SER H A 57 SER HBy 1.0 1.8 3.38 1888 1678 A 58 LYS H A 57 SER HBx 1.0 1.8 4.57 1889 1678 A 58 LYS H A 57 SER HBy 1.0 1.8 4.57 1890 1679 A 58 LYS H A 58 LYS HGx 1.0 1.8 4.59 1891 1679 A 58 LYS H A 58 LYS HGy 1.0 1.8 4.59 1892 1680 A 58 LYS HA A 58 LYS HDx 1.0 1.8 4.32 1893 1680 A 58 LYS HA A 58 LYS HDy 1.0 1.8 4.32 1894 1681 A 58 LYS HA A 88 GLU HGx 1.0 1.8 6.14 1895 1681 A 58 LYS HA A 88 GLU HGy 1.0 1.8 6.14 1896 1682 A 59 ILE H A 58 LYS HBx 1.0 1.8 4.46 1897 1682 A 59 ILE H A 58 LYS HBy 1.0 1.8 4.46 1898 1683 A 80 ILE HD1% A 58 LYS HBx 1.0 1.8 3.92 1899 1683 A 80 ILE HD1% A 58 LYS HBy 1.0 1.8 3.92 1900 1684 A 80 ILE HD1% A 58 LYS HDx 1.0 1.8 4.63 1901 1684 A 80 ILE HD1% A 58 LYS HDy 1.0 1.8 4.63 1902 1685 A 58 LYS HDx A 88 GLU HBy 1.0 1.8 5.55 1903 1685 A 58 LYS HDy A 88 GLU HBy 1.0 1.8 5.55 1904 1685 A 88 GLU HBx A 58 LYS HDx 1.0 1.8 5.55 1905 1685 A 58 LYS HDy A 88 GLU HBx 1.0 1.8 5.55 1906 1686 A 58 LYS HDx A 88 GLU HGx 1.0 1.8 4.76 1907 1686 A 58 LYS HDy A 88 GLU HGx 1.0 1.8 4.76 1908 1686 A 88 GLU HGy A 58 LYS HDx 1.0 1.8 4.76 1909 1686 A 58 LYS HDy A 88 GLU HGy 1.0 1.8 4.76 1910 1687 A 59 ILE H A 59 ILE HG1x 1.0 1.8 3.76 1911 1687 A 59 ILE H A 59 ILE HG1y 1.0 1.8 3.76 1912 1688 A 59 ILE HG2% A 59 ILE HG1x 1.0 1.8 3.82 1913 1688 A 59 ILE HG2% A 59 ILE HG1y 1.0 1.8 3.82 1914 1689 A 59 ILE HG2% A 62 GLY HAy 1.0 1.8 3.84 1915 1689 A 59 ILE HG2% A 62 GLY HAx 1.0 1.8 3.84 1916 1690 A 63 VAL HG2% A 59 ILE HG1x 1.0 1.8 5.23 1917 1690 A 63 VAL HG2% A 59 ILE HG1y 1.0 1.8 5.23 1918 1691 A 62 GLY H A 61 PRO HBy 1.0 1.8 4.62 1919 1691 A 62 GLY H A 61 PRO HBx 1.0 1.8 4.62 1920 1692 A 62 GLY H A 61 PRO HDx 1.0 1.8 4.08 1921 1692 A 62 GLY H A 61 PRO HDy 1.0 1.8 4.08 1922 1693 A 84 ASP H A 61 PRO HDx 1.0 1.8 4.81 1923 1693 A 84 ASP H A 61 PRO HDy 1.0 1.8 4.81 1924 1694 A 63 VAL H A 62 GLY HAy 1.0 1.8 3.16 1925 1694 A 63 VAL H A 62 GLY HAx 1.0 1.8 3.16 1926 1695 A 63 VAL HB A 62 GLY HAy 1.0 1.8 5.89 1927 1695 A 63 VAL HB A 62 GLY HAx 1.0 1.8 5.89 1928 1696 A 83 THR HG2% A 62 GLY HAy 1.0 1.8 4.31 1929 1696 A 83 THR HG2% A 62 GLY HAx 1.0 1.8 4.31 1930 1697 A 63 VAL HA A 64 ARG HBx 1.0 1.8 5.24 1931 1697 A 63 VAL HA A 64 ARG HBy 1.0 1.8 5.24 1932 1698 A 64 ARG H A 64 ARG HBx 1.0 1.8 3.66 1933 1698 A 64 ARG H A 64 ARG HBy 1.0 1.8 3.66 1934 1699 A 64 ARG H A 64 ARG HGy 1.0 1.8 5.45 1935 1699 A 64 ARG H A 64 ARG HGx 1.0 1.8 5.45 1936 1700 A 64 ARG HA A 64 ARG HGy 1.0 1.8 4.01 1937 1700 A 64 ARG HA A 64 ARG HGx 1.0 1.8 4.01 1938 1701 A 64 ARG HA A 64 ARG HDx 1.0 1.8 5.32 1939 1701 A 64 ARG HA A 64 ARG HDy 1.0 1.8 5.32 1940 1702 A 64 ARG HBy A 64 ARG HDx 1.0 1.8 3.77 1941 1702 A 64 ARG HBx A 64 ARG HDx 1.0 1.8 3.77 1942 1702 A 64 ARG HDy A 64 ARG HBx 1.0 1.8 3.77 1943 1702 A 64 ARG HBy A 64 ARG HDy 1.0 1.8 3.77 1944 1703 A 65 ASN H A 64 ARG HBx 1.0 1.8 3.75 1945 1703 A 65 ASN H A 64 ARG HBy 1.0 1.8 3.75 1946 1704 A 65 ASN HD22 A 64 ARG HBy 1.0 1.8 5.96 1947 1704 A 65 ASN HD21 A 64 ARG HBy 1.0 1.8 5.96 1948 1704 A 65 ASN HD22 A 64 ARG HBx 1.0 1.8 5.96 1949 1704 A 65 ASN HD21 A 64 ARG HBx 1.0 1.8 5.96 1950 1705 A 82 ARG HA A 64 ARG HBx 1.0 1.8 4.63 1951 1705 A 82 ARG HA A 64 ARG HBy 1.0 1.8 4.63 1952 1706 A 83 THR H A 64 ARG HBx 1.0 1.8 4.82 1953 1706 A 83 THR H A 64 ARG HBy 1.0 1.8 4.82 1954 1707 A 83 THR HA A 64 ARG HBx 1.0 1.8 4.40 1955 1707 A 83 THR HA A 64 ARG HBy 1.0 1.8 4.40 1956 1708 A 83 THR HG2% A 64 ARG HBx 1.0 1.8 3.90 1957 1708 A 83 THR HG2% A 64 ARG HBy 1.0 1.8 3.90 1958 1709 A 65 ASN HD21 A 64 ARG HGx 1.0 1.8 5.96 1959 1709 A 65 ASN HD22 A 64 ARG HGy 1.0 1.8 5.96 1960 1709 A 65 ASN HD21 A 64 ARG HGy 1.0 1.8 5.96 1961 1709 A 65 ASN HD22 A 64 ARG HGx 1.0 1.8 5.96 1962 1710 A 83 THR H A 64 ARG HGy 1.0 1.8 6.14 1963 1710 A 83 THR H A 64 ARG HGx 1.0 1.8 6.14 1964 1711 A 83 THR HG2% A 64 ARG HGy 1.0 1.8 4.61 1965 1711 A 83 THR HG2% A 64 ARG HGx 1.0 1.8 4.61 1966 1712 A 65 ASN HD22 A 64 ARG HDy 1.0 1.8 4.55 1967 1712 A 65 ASN HD21 A 64 ARG HDx 1.0 1.8 4.55 1968 1712 A 65 ASN HD22 A 64 ARG HDx 1.0 1.8 4.55 1969 1712 A 65 ASN HD21 A 64 ARG HDy 1.0 1.8 4.55 1970 1713 A 83 THR HG2% A 64 ARG HDx 1.0 1.8 4.84 1971 1713 A 83 THR HG2% A 64 ARG HDy 1.0 1.8 4.84 1972 1714 A 65 ASN H A 65 ASN HD21 1.0 1.8 5.45 1973 1714 A 65 ASN H A 65 ASN HD22 1.0 1.8 5.45 1974 1715 A 65 ASN HBx A 65 ASN HD21 1.0 1.8 4.12 1975 1715 A 65 ASN HBx A 65 ASN HD22 1.0 1.8 4.12 1976 1716 A 66 PHE H A 65 ASN HD21 1.0 1.8 5.16 1977 1716 A 66 PHE H A 65 ASN HD22 1.0 1.8 5.16 1978 1717 A 81 LEU HBy A 65 ASN HD21 1.0 1.8 5.04 1979 1717 A 81 LEU HBy A 65 ASN HD22 1.0 1.8 5.04 1980 1718 A 81 LEU HBx A 65 ASN HD21 1.0 1.8 5.32 1981 1718 A 81 LEU HBx A 65 ASN HD22 1.0 1.8 5.32 1982 1719 A 65 ASN HD21 A 81 LEU HG 1.0 1.8 5.01 1983 1719 A 65 ASN HD22 A 81 LEU HG 1.0 1.8 5.01 1984 1720 A 81 LEU HD1% A 65 ASN HD21 1.0 1.8 5.82 1985 1720 A 81 LEU HD1% A 65 ASN HD22 1.0 1.8 5.82 1986 1721 A 81 LEU HD2% A 65 ASN HD21 1.0 1.8 4.84 1987 1721 A 81 LEU HD2% A 65 ASN HD22 1.0 1.8 4.84 1988 1722 A 66 PHE HA A 67 GLU HBy 1.0 1.8 5.40 1989 1722 A 66 PHE HA A 67 GLU HBx 1.0 1.8 5.40 1990 1723 A 66 PHE HEy A 80 ILE HG1x 1.0 1.8 4.66 1991 1723 A 66 PHE HEy A 80 ILE HG1y 1.0 1.8 4.66 1992 1724 A 67 GLU H A 67 GLU HBy 1.0 1.8 3.75 1993 1724 A 67 GLU H A 67 GLU HBx 1.0 1.8 3.75 1994 1725 A 67 GLU HA A 67 GLU HGy 1.0 1.8 3.99 1995 1725 A 67 GLU HA A 67 GLU HGx 1.0 1.8 3.99 1996 1726 A 79 TRP HBx A 67 GLU HBy 1.0 1.8 5.68 1997 1726 A 79 TRP HBx A 67 GLU HBx 1.0 1.8 5.68 1998 1727 A 79 TRP HBy A 67 GLU HBy 1.0 1.8 6.14 1999 1727 A 79 TRP HBy A 67 GLU HBx 1.0 1.8 6.14 2000 1728 A 81 LEU HG A 67 GLU HBy 1.0 1.8 4.30 2001 1728 A 81 LEU HG A 67 GLU HBx 1.0 1.8 4.30 2002 1729 A 81 LEU HD1% A 67 GLU HBy 1.0 1.8 4.65 2003 1729 A 81 LEU HD1% A 67 GLU HBx 1.0 1.8 4.65 2004 1730 A 68 VAL H A 67 GLU HGy 1.0 1.8 4.52 2005 1730 A 68 VAL H A 67 GLU HGx 1.0 1.8 4.52 2006 1731 A 81 LEU HD2% A 67 GLU HGy 1.0 1.8 6.14 2007 1731 A 81 LEU HD2% A 67 GLU HGx 1.0 1.8 6.14 2008 1732 A 68 VAL HG1% A 76 GLN HBx 1.0 1.8 3.74 2009 1732 A 68 VAL HG1% A 76 GLN HBy 1.0 1.8 3.74 2010 1733 A 69 ARG H A 69 ARG HBx 1.0 1.8 4.11 2011 1733 A 69 ARG H A 69 ARG HBy 1.0 1.8 4.11 2012 1734 A 69 ARG H A 69 ARG HGy 1.0 1.8 5.36 2013 1734 A 69 ARG H A 69 ARG HGx 1.0 1.8 5.36 2014 1735 A 70 SER H A 69 ARG HBx 1.0 1.8 4.52 2015 1735 A 70 SER H A 69 ARG HBy 1.0 1.8 4.52 2016 1736 A 79 TRP HD1 A 69 ARG HBx 1.0 1.8 5.21 2017 1736 A 79 TRP HD1 A 69 ARG HBy 1.0 1.8 5.21 2018 1737 A 79 TRP HE1 A 69 ARG HBx 1.0 1.8 4.22 2019 1737 A 79 TRP HE1 A 69 ARG HBy 1.0 1.8 4.22 2020 1738 A 70 SER H A 69 ARG HGy 1.0 1.8 4.50 2021 1738 A 70 SER H A 69 ARG HGx 1.0 1.8 4.50 2022 1739 A 79 TRP HD1 A 69 ARG HDy 1.0 1.8 5.51 2023 1739 A 79 TRP HD1 A 69 ARG HDx 1.0 1.8 5.51 2024 1740 A 79 TRP HE1 A 69 ARG HDy 1.0 1.8 4.68 2025 1740 A 79 TRP HE1 A 69 ARG HDx 1.0 1.8 4.68 2026 1741 A 79 TRP HH2 A 69 ARG HDy 1.0 1.8 6.14 2027 1741 A 69 ARG HDx A 79 TRP HH2 1.0 1.8 6.14 2028 1742 A 70 SER H A 70 SER HBy 1.0 1.8 3.85 2029 1742 A 70 SER H A 70 SER HBx 1.0 1.8 3.85 2030 1743 A 71 ALA H A 70 SER HBy 1.0 1.8 4.03 2031 1743 A 71 ALA H A 70 SER HBx 1.0 1.8 4.03 2032 1744 A 71 ALA HB% A 70 SER HBy 1.0 1.8 5.64 2033 1744 A 71 ALA HB% A 70 SER HBx 1.0 1.8 5.64 2034 1745 A 76 GLN HA A 70 SER HBy 1.0 1.8 5.26 2035 1745 A 76 GLN HA A 70 SER HBx 1.0 1.8 5.26 2036 1746 A 71 ALA H A 76 GLN HBx 1.0 1.8 6.06 2037 1746 A 71 ALA H A 76 GLN HBy 1.0 1.8 6.06 2038 1747 A 71 ALA HB% A 72 ASP HBy 1.0 1.8 4.75 2039 1747 A 71 ALA HB% A 72 ASP HBx 1.0 1.8 4.75 2040 1748 A 72 ASP H A 72 ASP HBy 1.0 1.8 3.78 2041 1748 A 72 ASP H A 72 ASP HBx 1.0 1.8 3.78 2042 1749 A 73 TYR H A 72 ASP HBy 1.0 1.8 4.01 2043 1749 A 73 TYR H A 72 ASP HBx 1.0 1.8 4.01 2044 1750 A 73 TYR HEy A 72 ASP HBy 1.0 1.8 5.40 2045 1750 A 73 TYR HEy A 72 ASP HBx 1.0 1.8 5.40 2046 1751 A 75 THR HA A 74 GLY HAy 1.0 1.8 5.57 2047 1751 A 75 THR HA A 74 GLY HAx 1.0 1.8 5.57 2048 1752 A 75 THR HG2% A 74 GLY HAy 1.0 1.8 5.58 2049 1752 A 75 THR HG2% A 74 GLY HAx 1.0 1.8 5.58 2050 1753 A 76 GLN H A 76 GLN HBx 1.0 1.8 4.12 2051 1753 A 76 GLN H A 76 GLN HBy 1.0 1.8 4.12 2052 1754 A 76 GLN HE21 A 76 GLN HBx 1.0 1.8 4.44 2053 1754 A 76 GLN HE21 A 76 GLN HBy 1.0 1.8 4.44 2054 1755 A 76 GLN HE22 A 76 GLN HBx 1.0 1.8 4.60 2055 1755 A 76 GLN HE22 A 76 GLN HBy 1.0 1.8 4.60 2056 1756 A 77 CYS H A 76 GLN HBx 1.0 1.8 3.94 2057 1756 A 77 CYS H A 76 GLN HBy 1.0 1.8 3.94 2058 1757 A 78 PHE H A 77 CYS HBy 1.0 1.8 4.39 2059 1757 A 78 PHE H A 77 CYS HBx 1.0 1.8 4.39 2060 1758 A 79 TRP HD1 A 77 CYS HBy 1.0 1.8 5.44 2061 1758 A 79 TRP HD1 A 77 CYS HBx 1.0 1.8 5.44 2062 1759 A 79 TRP HE1 A 77 CYS HBy 1.0 1.8 5.40 2063 1759 A 79 TRP HE1 A 77 CYS HBx 1.0 1.8 5.40 2064 1760 A 89 ARG HA A 77 CYS HBy 1.0 1.8 6.14 2065 1760 A 89 ARG HA A 77 CYS HBx 1.0 1.8 6.14 2066 1761 A 77 CYS HBx A 89 ARG HBx 1.0 1.8 4.77 2067 1761 A 77 CYS HBy A 89 ARG HBx 1.0 1.8 4.77 2068 1761 A 89 ARG HBy A 77 CYS HBy 1.0 1.8 4.77 2069 1761 A 77 CYS HBx A 89 ARG HBy 1.0 1.8 4.77 2070 1762 A 92 TYR HDx A 77 CYS HBy 1.0 1.8 6.14 2071 1762 A 92 TYR HDx A 77 CYS HBx 1.0 1.8 6.14 2072 1763 A 78 PHE HDx A 78 PHE HBy 1.0 1.8 3.76 2073 1763 A 78 PHE HDx A 78 PHE HBx 1.0 1.8 3.76 2074 1764 A 79 TRP HA A 89 ARG HBx 1.0 1.8 4.80 2075 1764 A 79 TRP HA A 89 ARG HBy 1.0 1.8 4.80 2076 1765 A 79 TRP HE3 A 87 GLU HGx 1.0 1.8 5.18 2077 1765 A 79 TRP HE3 A 87 GLU HGy 1.0 1.8 5.18 2078 1766 A 79 TRP HE3 A 88 GLU HBy 1.0 1.8 6.14 2079 1766 A 79 TRP HE3 A 88 GLU HBx 1.0 1.8 6.14 2080 1767 A 79 TRP HE1 A 89 ARG HBx 1.0 1.8 5.27 2081 1767 A 79 TRP HE1 A 89 ARG HBy 1.0 1.8 5.27 2082 1768 A 79 TRP HE1 A 89 ARG HDy 1.0 1.8 4.81 2083 1768 A 79 TRP HE1 A 89 ARG HDx 1.0 1.8 4.81 2084 1769 A 79 TRP HZ3 A 87 GLU HGx 1.0 1.8 3.81 2085 1769 A 79 TRP HZ3 A 87 GLU HGy 1.0 1.8 3.81 2086 1770 A 79 TRP HZ3 A 89 ARG HDy 1.0 1.8 6.14 2087 1770 A 79 TRP HZ3 A 89 ARG HDx 1.0 1.8 6.14 2088 1771 A 79 TRP HZ2 A 89 ARG HBx 1.0 1.8 4.97 2089 1771 A 79 TRP HZ2 A 89 ARG HBy 1.0 1.8 4.97 2090 1772 A 79 TRP HZ2 A 89 ARG HGy 1.0 1.8 6.14 2091 1772 A 79 TRP HZ2 A 89 ARG HGx 1.0 1.8 6.14 2092 1773 A 79 TRP HZ2 A 89 ARG HDy 1.0 1.8 4.55 2093 1773 A 79 TRP HZ2 A 89 ARG HDx 1.0 1.8 4.55 2094 1774 A 79 TRP HH2 A 89 ARG HGy 1.0 1.8 5.54 2095 1774 A 79 TRP HH2 A 89 ARG HGx 1.0 1.8 5.54 2096 1775 A 79 TRP HH2 A 89 ARG HDy 1.0 1.8 5.36 2097 1775 A 79 TRP HH2 A 89 ARG HDx 1.0 1.8 5.36 2098 1776 A 80 ILE H A 80 ILE HG1x 1.0 1.8 4.82 2099 1776 A 80 ILE H A 80 ILE HG1y 1.0 1.8 4.82 2100 1777 A 80 ILE HA A 80 ILE HG1x 1.0 1.8 4.13 2101 1777 A 80 ILE HA A 80 ILE HG1y 1.0 1.8 4.13 2102 1778 A 90 PHE HBx A 80 ILE HG1x 1.0 1.8 4.96 2103 1778 A 90 PHE HBx A 80 ILE HG1y 1.0 1.8 4.96 2104 1779 A 90 PHE HDy A 80 ILE HG1x 1.0 1.8 4.93 2105 1779 A 90 PHE HDy A 80 ILE HG1y 1.0 1.8 4.93 2106 1780 A 90 PHE HEx A 80 ILE HG1x 1.0 1.8 4.67 2107 1780 A 90 PHE HEx A 80 ILE HG1y 1.0 1.8 4.67 2108 1781 A 80 ILE HD1% A 88 GLU HBy 1.0 1.8 4.96 2109 1781 A 80 ILE HD1% A 88 GLU HBx 1.0 1.8 4.96 2110 1782 A 81 LEU HA A 87 GLU HGx 1.0 1.8 5.34 2111 1782 A 81 LEU HA A 87 GLU HGy 1.0 1.8 5.34 2112 1783 A 81 LEU HG A 87 GLU HGx 1.0 1.8 6.14 2113 1783 A 81 LEU HG A 87 GLU HGy 1.0 1.8 6.14 2114 1784 A 81 LEU HD1% A 87 GLU HGx 1.0 1.8 4.24 2115 1784 A 81 LEU HD1% A 87 GLU HGy 1.0 1.8 4.24 2116 1785 A 81 LEU HD2% A 87 GLU HGx 1.0 1.8 5.42 2117 1785 A 81 LEU HD2% A 87 GLU HGy 1.0 1.8 5.42 2118 1786 A 82 ARG H A 82 ARG HBx 1.0 1.8 3.78 2119 1786 A 82 ARG H A 82 ARG HBy 1.0 1.8 3.78 2120 1787 A 82 ARG H A 82 ARG HGx 1.0 1.8 4.26 2121 1787 A 82 ARG H A 82 ARG HGy 1.0 1.8 4.26 2122 1788 A 82 ARG H A 82 ARG HDy 1.0 1.8 4.93 2123 1788 A 82 ARG H A 82 ARG HDx 1.0 1.8 4.93 2124 1789 A 82 ARG HBx A 82 ARG HDy 1.0 1.8 3.75 2125 1789 A 82 ARG HBy A 82 ARG HDy 1.0 1.8 3.75 2126 1789 A 82 ARG HDx A 82 ARG HBx 1.0 1.8 3.75 2127 1789 A 82 ARG HBy A 82 ARG HDx 1.0 1.8 3.75 2128 1790 A 83 THR H A 82 ARG HBx 1.0 1.8 3.76 2129 1790 A 83 THR H A 82 ARG HBy 1.0 1.8 3.76 2130 1791 A 84 ASP H A 82 ARG HBx 1.0 1.8 4.36 2131 1791 A 84 ASP H A 82 ARG HBy 1.0 1.8 4.36 2132 1792 A 85 GLY H A 82 ARG HBx 1.0 1.8 5.52 2133 1792 A 85 GLY H A 82 ARG HBy 1.0 1.8 5.52 2134 1793 A 86 SER H A 82 ARG HBx 1.0 1.8 4.26 2135 1793 A 86 SER H A 82 ARG HBy 1.0 1.8 4.26 2136 1794 A 84 ASP H A 84 ASP HBy 1.0 1.8 4.13 2137 1794 A 84 ASP H A 84 ASP HBx 1.0 1.8 4.13 2138 1795 A 86 SER H A 86 SER HBy 1.0 1.8 3.92 2139 1795 A 86 SER H A 86 SER HBx 1.0 1.8 3.92 2140 1796 A 86 SER HA A 87 GLU HGx 1.0 1.8 5.43 2141 1796 A 86 SER HA A 87 GLU HGy 1.0 1.8 5.43 2142 1797 A 87 GLU H A 86 SER HBy 1.0 1.8 3.74 2143 1797 A 87 GLU H A 86 SER HBx 1.0 1.8 3.74 2144 1798 A 87 GLU H A 87 GLU HGx 1.0 1.8 3.58 2145 1798 A 87 GLU H A 87 GLU HGy 1.0 1.8 3.58 2146 1799 A 88 GLU HA A 88 GLU HGx 1.0 1.8 4.16 2147 1799 A 88 GLU HA A 88 GLU HGy 1.0 1.8 4.16 2148 1800 A 89 ARG H A 88 GLU HBy 1.0 1.8 5.04 2149 1800 A 89 ARG H A 88 GLU HBx 1.0 1.8 5.04 2150 1801 A 89 ARG H A 88 GLU HGx 1.0 1.8 4.46 2151 1801 A 89 ARG H A 88 GLU HGy 1.0 1.8 4.46 2152 1802 A 89 ARG H A 89 ARG HBx 1.0 1.8 4.24 2153 1802 A 89 ARG H A 89 ARG HBy 1.0 1.8 4.24 2154 1803 A 89 ARG H A 89 ARG HGy 1.0 1.8 4.40 2155 1803 A 89 ARG H A 89 ARG HGx 1.0 1.8 4.40 2156 1804 A 89 ARG H A 89 ARG HDy 1.0 1.8 5.58 2157 1804 A 89 ARG H A 89 ARG HDx 1.0 1.8 5.58 2158 1805 A 89 ARG HA A 89 ARG HDy 1.0 1.8 6.14 2159 1805 A 89 ARG HA A 89 ARG HDx 1.0 1.8 6.14 2160 1806 A 89 ARG HBy A 89 ARG HDy 1.0 1.8 3.44 2161 1806 A 89 ARG HBx A 89 ARG HDy 1.0 1.8 3.44 2162 1806 A 89 ARG HDx A 89 ARG HBx 1.0 1.8 3.44 2163 1806 A 89 ARG HBy A 89 ARG HDx 1.0 1.8 3.44 2164 1807 A 91 SER HBx A 93 LYS HGx 1.0 1.8 5.30 2165 1807 A 91 SER HBy A 93 LYS HGx 1.0 1.8 5.30 2166 1807 A 93 LYS HGy A 91 SER HBy 1.0 1.8 5.30 2167 1807 A 91 SER HBx A 93 LYS HGy 1.0 1.8 5.30 2168 1808 A 94 LYS H A 91 SER HBy 1.0 1.8 4.97 2169 1808 A 94 LYS H A 91 SER HBx 1.0 1.8 4.97 2170 1809 A 91 SER HBy A 94 LYS HBx 1.0 1.8 4.29 2171 1809 A 91 SER HBx A 94 LYS HBx 1.0 1.8 4.29 2172 1809 A 94 LYS HBy A 91 SER HBy 1.0 1.8 4.29 2173 1809 A 91 SER HBx A 94 LYS HBy 1.0 1.8 4.29 2174 1810 A 91 SER HBx A 94 LYS HGx 1.0 1.8 5.45 2175 1810 A 91 SER HBy A 94 LYS HGx 1.0 1.8 5.45 2176 1810 A 94 LYS HGy A 91 SER HBy 1.0 1.8 5.45 2177 1810 A 91 SER HBx A 94 LYS HGy 1.0 1.8 5.45 2178 1811 A 92 TYR HDy A 92 TYR HBx 1.0 1.8 3.71 2179 1811 A 92 TYR HDy A 92 TYR HBy 1.0 1.8 3.71 2180 1812 A 93 LYS H A 93 LYS HBx 1.0 1.8 3.90 2181 1812 A 93 LYS H A 93 LYS HBy 1.0 1.8 3.90 2182 1813 A 93 LYS H A 93 LYS HGx 1.0 1.8 4.14 2183 1813 A 93 LYS H A 93 LYS HGy 1.0 1.8 4.14 2184 1814 A 93 LYS HEy A 93 LYS HGx 1.0 1.8 3.43 2185 1814 A 93 LYS HEx A 93 LYS HGx 1.0 1.8 3.43 2186 1814 A 93 LYS HGy A 93 LYS HEy 1.0 1.8 3.43 2187 1814 A 93 LYS HGy A 93 LYS HEx 1.0 1.8 3.43 2188 1815 A 93 LYS HGx A 94 LYS HGx 1.0 1.8 4.32 2189 1815 A 93 LYS HGy A 94 LYS HGx 1.0 1.8 4.32 2190 1815 A 94 LYS HGy A 93 LYS HGx 1.0 1.8 4.32 2191 1815 A 93 LYS HGy A 94 LYS HGy 1.0 1.8 4.32 2192 1816 A 93 LYS HEy A 94 LYS HGx 1.0 1.8 3.57 2193 1816 A 93 LYS HEx A 94 LYS HGx 1.0 1.8 3.57 2194 1816 A 94 LYS HGy A 93 LYS HEy 1.0 1.8 3.57 2195 1816 A 94 LYS HGy A 93 LYS HEx 1.0 1.8 3.57 2196 1817 A 94 LYS H A 94 LYS HGx 1.0 1.8 4.49 2197 1817 A 94 LYS H A 94 LYS HGy 1.0 1.8 4.49 2198 1818 A 94 LYS H A 95 CYS HBy 1.0 1.8 5.51 2199 1818 A 94 LYS H A 95 CYS HBx 1.0 1.8 5.51 2200 1819 A 94 LYS HA A 94 LYS HGx 1.0 1.8 3.75 2201 1819 A 94 LYS HA A 94 LYS HGy 1.0 1.8 3.75 2202 1820 A 95 CYS H A 94 LYS HBx 1.0 1.8 4.49 2203 1820 A 95 CYS H A 94 LYS HBy 1.0 1.8 4.49 2204 1821 A 94 LYS HBy A 95 CYS HBy 1.0 1.8 5.84 2205 1821 A 94 LYS HBx A 95 CYS HBy 1.0 1.8 5.84 2206 1821 A 95 CYS HBx A 94 LYS HBx 1.0 1.8 5.84 2207 1821 A 95 CYS HBx A 94 LYS HBy 1.0 1.8 5.84 2208 1822 A 94 LYS HEx A 94 LYS HGx 1.0 1.8 3.84 2209 1822 A 94 LYS HEy A 94 LYS HGx 1.0 1.8 3.84 2210 1822 A 94 LYS HGy A 94 LYS HEx 1.0 1.8 3.84 2211 1822 A 94 LYS HGy A 94 LYS HEy 1.0 1.8 3.84 2212 1823 A 95 CYS H A 95 CYS HBy 1.0 1.8 4.03 2213 1823 A 95 CYS H A 95 CYS HBx 1.0 1.8 4.03 2214 1824 A 96 VAL HB A 97 LEU HBy 1.0 1.8 6.14 2215 1824 A 96 VAL HB A 97 LEU HBx 1.0 1.8 6.14 2216 1825 A 97 LEU H A 97 LEU HBy 1.0 1.8 3.98 2217 1825 A 97 LEU H A 97 LEU HBx 1.0 1.8 3.98 2218 1826 A 97 LEU H A 98 GLU HGx 1.0 1.8 6.14 2219 1826 A 97 LEU H A 98 GLU HGy 1.0 1.8 6.14 2220 1827 A 97 LEU HD1% A 97 LEU HBy 1.0 1.8 3.28 2221 1827 A 97 LEU HD1% A 97 LEU HBx 1.0 1.8 3.28 2222 1828 A 97 LEU HD2% A 97 LEU HBy 1.0 1.8 3.46 2223 1828 A 97 LEU HD2% A 97 LEU HBx 1.0 1.8 3.46 2224 1829 A 97 LEU HBx A 98 GLU HBy 1.0 1.8 4.81 2225 1829 A 98 GLU HBx A 97 LEU HBy 1.0 1.8 4.81 2226 1829 A 97 LEU HBx A 98 GLU HBx 1.0 1.8 4.81 2227 1829 A 97 LEU HBy A 98 GLU HBy 1.0 1.8 4.81 2228 1830 A 97 LEU HD1% A 98 GLU HBy 1.0 1.8 6.14 2229 1830 A 97 LEU HD1% A 98 GLU HBx 1.0 1.8 6.14 2230 1831 A 97 LEU HD2% A 98 GLU HBy 1.0 1.8 5.24 2231 1831 A 97 LEU HD2% A 98 GLU HBx 1.0 1.8 5.24 2232 1832 A 98 GLU H A 98 GLU HBy 1.0 1.8 3.88 2233 1832 A 98 GLU H A 98 GLU HBx 1.0 1.8 3.88 2234 1833 A 98 GLU H A 98 GLU HGx 1.0 1.8 4.46 2235 1833 A 98 GLU H A 98 GLU HGy 1.0 1.8 4.46 2236 1834 A 98 GLU HA A 98 GLU HGx 1.0 1.8 4.16 2237 1834 A 98 GLU HA A 98 GLU HGy 1.0 1.8 4.16 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 15 2 13C 150 3 1H 20 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 15 2 15N 35 3 1H 20 stop_ save_