data_nef_c16251_2khq 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code TargetDB SyR103B stop_ 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 ILE middle . . 3 A 3 THR middle . . 4 A 4 PHE middle . . 5 A 5 ALA middle . . 6 A 6 ASP middle . . 7 A 7 TYR middle . . 8 A 8 PHE middle . . 9 A 9 TYR middle . . 10 A 10 GLN middle . . 11 A 11 TRP middle . . 12 A 12 TYR middle . . 13 A 13 GLU middle . . 14 A 14 VAL middle . . 15 A 15 ASN middle . . 16 A 16 LYS middle . . 17 A 17 LEU middle . . 18 A 18 PRO middle . false 19 A 19 HIS middle . . 20 A 20 VAL middle . . 21 A 21 SER middle . . 22 A 22 GLU middle . . 23 A 23 SER middle . . 24 A 24 THR middle . . 25 A 25 LYS middle . . 26 A 26 ARG middle . . 27 A 27 HIS middle . . 28 A 28 TYR middle . . 29 A 29 GLU middle . . 30 A 30 SER middle . . 31 A 31 ALA middle . . 32 A 32 TYR middle . . 33 A 33 LYS middle . . 34 A 34 HIS middle . . 35 A 35 ILE middle . . 36 A 36 LYS middle . . 37 A 37 ASP middle . . 38 A 38 HIS middle . . 39 A 39 PHE middle . . 40 A 40 ARG middle . . 41 A 41 HIS middle . . 42 A 42 LYS middle . . 43 A 43 LEU middle . . 44 A 44 LEU middle . . 45 A 45 LYS middle . . 46 A 46 ASP middle . . 47 A 47 ILE middle . . 48 A 48 LYS middle . . 49 A 49 ARG middle . . 50 A 50 THR middle . . 51 A 51 GLU middle . . 52 A 52 TYR middle . . 53 A 53 GLN middle . . 54 A 54 LYS middle . . 55 A 55 PHE middle . . 56 A 56 LEU middle . . 57 A 57 ASN middle . . 58 A 58 GLU middle . . 59 A 59 TYR middle . . 60 A 60 GLY middle . false 61 A 61 LEU middle . . 62 A 62 THR middle . . 63 A 63 HIS middle . . 64 A 64 SER middle . . 65 A 65 TYR middle . . 66 A 66 GLU middle . . 67 A 67 THR middle . . 68 A 68 ILE middle . . 69 A 69 ARG middle . . 70 A 70 LYS middle . . 71 A 71 LEU middle . . 72 A 72 ASN middle . . 73 A 73 SER middle . . 74 A 74 TYR middle . . 75 A 75 ILE middle . . 76 A 76 ARG middle . . 77 A 77 ASN middle . . 78 A 78 ALA middle . . 79 A 79 PHE middle . . 80 A 80 ASP middle . . 81 A 81 ASP middle . . 82 A 82 ALA middle . . 83 A 83 ILE middle . . 84 A 84 HIS middle . . 85 A 85 GLU middle . . 86 A 86 GLY middle . false 87 A 87 TYR middle . . 88 A 88 VAL middle . . 89 A 89 ILE middle . . 90 A 90 LYS middle . . 91 A 91 ASN middle . . 92 A 92 PRO middle . false 93 A 93 THR middle . . 94 A 94 TYR middle . . 95 A 95 LYS middle . . 96 A 96 ALA middle . . 97 A 97 GLU middle . . 98 A 98 LEU middle . . 99 A 99 HIS middle . . 100 A 100 ALA middle . . 101 A 101 SER middle . . 102 A 102 VAL middle . . 103 A 103 LEU middle . . 104 A 104 GLU middle . . 105 A 105 HIS middle . . 106 A 106 HIS middle . . 107 A 107 HIS middle . . 108 A 108 HIS middle . . 109 A 109 HIS middle . . 110 A 110 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.097 0.02 A 1 MET HBy H 1 2.194 0.02 A 1 MET HBx H 1 2.117 0.02 A 1 MET HE% H 1 2.174 0.02 A 1 MET HGx H 1 2.727 0.02 A 1 MET HGy H 1 2.727 0.02 A 1 MET CA C 13 55.625 0.2 A 1 MET CB C 13 34.076 0.2 A 1 MET CE C 13 16.996 0.2 A 1 MET CG C 13 31.829 0.2 A 2 ILE HA H 1 4.615 0.02 A 2 ILE HB H 1 1.895 0.02 A 2 ILE HD1% H 1 0.898 0.02 A 2 ILE HG1y H 1 1.850 0.02 A 2 ILE HG1x H 1 1.616 0.02 A 2 ILE HG2% H 1 0.901 0.02 A 2 ILE C C 13 175.630 0.2 A 2 ILE CA C 13 60.619 0.2 A 2 ILE CB C 13 40.542 0.2 A 2 ILE CD1 C 13 13.908 0.2 A 2 ILE CG1 C 13 28.597 0.2 A 2 ILE CG2 C 13 16.874 0.2 A 3 THR H H 1 9.133 0.02 A 3 THR HA H 1 4.656 0.02 A 3 THR HB H 1 4.747 0.02 A 3 THR HG1 H 1 5.474 0.02 A 3 THR HG2% H 1 1.451 0.02 A 3 THR C C 13 174.729 0.2 A 3 THR CA C 13 61.509 0.2 A 3 THR CB C 13 69.896 0.2 A 3 THR CG2 C 13 22.035 0.2 A 3 THR N N 15 119.091 0.2 A 4 PHE H H 1 8.642 0.02 A 4 PHE HA H 1 4.576 0.02 A 4 PHE HBx H 1 2.834 0.02 A 4 PHE HBy H 1 2.996 0.02 A 4 PHE HD1 H 1 6.638 0.02 A 4 PHE HD2 H 1 6.638 0.02 A 4 PHE HE1 H 1 6.438 0.02 A 4 PHE HE2 H 1 6.438 0.02 A 4 PHE HZ H 1 6.864 0.02 A 4 PHE C C 13 176.302 0.2 A 4 PHE CA C 13 58.368 0.2 A 4 PHE CB C 13 37.526 0.2 A 4 PHE CD1 C 13 130.998 0.2 A 4 PHE CE1 C 13 129.960 0.2 A 4 PHE CZ C 13 127.915 0.2 A 4 PHE N N 15 122.510 0.2 A 5 ALA H H 1 9.195 0.02 A 5 ALA HA H 1 3.692 0.02 A 5 ALA HB% H 1 1.383 0.02 A 5 ALA C C 13 178.210 0.2 A 5 ALA CA C 13 56.073 0.2 A 5 ALA CB C 13 17.897 0.2 A 5 ALA N N 15 120.106 0.2 A 6 ASP H H 1 7.978 0.02 A 6 ASP HA H 1 4.615 0.02 A 6 ASP HBx H 1 2.666 0.02 A 6 ASP HBy H 1 2.916 0.02 A 6 ASP C C 13 179.370 0.2 A 6 ASP CA C 13 57.369 0.2 A 6 ASP CB C 13 39.556 0.2 A 6 ASP N N 15 115.486 0.2 A 7 TYR H H 1 8.776 0.02 A 7 TYR HA H 1 3.984 0.02 A 7 TYR HBx H 1 3.067 0.02 A 7 TYR HBy H 1 3.067 0.02 A 7 TYR HD1 H 1 6.644 0.02 A 7 TYR HD2 H 1 6.644 0.02 A 7 TYR HE1 H 1 6.416 0.02 A 7 TYR HE2 H 1 6.416 0.02 A 7 TYR C C 13 176.232 0.2 A 7 TYR CA C 13 62.241 0.2 A 7 TYR CB C 13 38.521 0.2 A 7 TYR CD1 C 13 132.400 0.2 A 7 TYR CE1 C 13 117.235 0.2 A 7 TYR N N 15 120.885 0.2 A 8 PHE H H 1 9.024 0.02 A 8 PHE HA H 1 3.732 0.02 A 8 PHE HB2 H 1 3.182 0.02 A 8 PHE HB3 H 1 2.798 0.02 A 8 PHE HD1 H 1 6.964 0.02 A 8 PHE HD2 H 1 6.964 0.02 A 8 PHE HE1 H 1 7.336 0.02 A 8 PHE HE2 H 1 7.336 0.02 A 8 PHE HZ H 1 7.297 0.02 A 8 PHE C C 13 176.261 0.2 A 8 PHE CA C 13 62.936 0.2 A 8 PHE CB C 13 39.553 0.2 A 8 PHE CD1 C 13 131.011 0.2 A 8 PHE CE1 C 13 131.036 0.2 A 8 PHE CZ C 13 128.572 0.2 A 8 PHE N N 15 118.754 0.2 A 9 TYR H H 1 8.202 0.02 A 9 TYR HA H 1 3.742 0.02 A 9 TYR HBx H 1 2.834 0.02 A 9 TYR HBy H 1 2.834 0.02 A 9 TYR HD1 H 1 6.384 0.02 A 9 TYR HD2 H 1 6.384 0.02 A 9 TYR HE1 H 1 6.628 0.02 A 9 TYR HE2 H 1 6.628 0.02 A 9 TYR C C 13 176.496 0.2 A 9 TYR CA C 13 62.939 0.2 A 9 TYR CB C 13 37.941 0.2 A 9 TYR CD1 C 13 132.507 0.2 A 9 TYR CE1 C 13 117.589 0.2 A 9 TYR N N 15 117.271 0.2 A 10 GLN H H 1 8.029 0.02 A 10 GLN HA H 1 3.928 0.02 A 10 GLN HBx H 1 2.050 0.02 A 10 GLN HBy H 1 2.050 0.02 A 10 GLN HE2y H 1 7.345 0.02 A 10 GLN HE2x H 1 6.750 0.02 A 10 GLN HGy H 1 2.517 0.02 A 10 GLN HGx H 1 2.325 0.02 A 10 GLN C C 13 177.393 0.2 A 10 GLN CA C 13 58.717 0.2 A 10 GLN CB C 13 28.482 0.2 A 10 GLN CG C 13 34.023 0.2 A 10 GLN N N 15 117.935 0.2 A 10 GLN NE2 N 15 110.507 0.2 A 11 TRP H H 1 8.772 0.02 A 11 TRP HA H 1 3.690 0.02 A 11 TRP HBx H 1 2.386 0.02 A 11 TRP HBy H 1 3.060 0.02 A 11 TRP HD1 H 1 7.234 0.02 A 11 TRP HE1 H 1 11.964 0.02 A 11 TRP HE3 H 1 6.971 0.02 A 11 TRP HH2 H 1 7.409 0.02 A 11 TRP HZ2 H 1 7.223 0.02 A 11 TRP HZ3 H 1 6.651 0.02 A 11 TRP C C 13 178.487 0.2 A 11 TRP CA C 13 61.256 0.2 A 11 TRP CB C 13 27.472 0.2 A 11 TRP CD1 C 13 126.504 0.2 A 11 TRP CE3 C 13 120.684 0.2 A 11 TRP CH2 C 13 124.475 0.2 A 11 TRP CZ2 C 13 113.440 0.2 A 11 TRP CZ3 C 13 121.035 0.2 A 11 TRP N N 15 121.577 0.2 A 11 TRP NE1 N 15 133.418 0.2 A 12 TYR H H 1 8.168 0.02 A 12 TYR HA H 1 2.938 0.02 A 12 TYR HB2 H 1 2.620 0.02 A 12 TYR HB3 H 1 2.365 0.02 A 12 TYR HD1 H 1 5.933 0.02 A 12 TYR HD2 H 1 5.933 0.02 A 12 TYR HE1 H 1 6.173 0.02 A 12 TYR HE2 H 1 6.173 0.02 A 12 TYR C C 13 177.277 0.02 A 12 TYR CA C 13 59.178 0.02 A 12 TYR CB C 13 36.729 0.02 A 12 TYR CD1 C 13 133.051 0.02 A 12 TYR CE1 C 13 116.679 0.02 A 12 TYR N N 15 121.811 0.02 A 13 GLU H H 1 8.434 0.02 A 13 GLU HA H 1 2.996 0.02 A 13 GLU HBx H 1 1.628 0.02 A 13 GLU HBy H 1 1.628 0.02 A 13 GLU HGy H 1 1.878 0.02 A 13 GLU HGx H 1 1.660 0.02 A 13 GLU C C 13 177.157 0.2 A 13 GLU CA C 13 59.164 0.2 A 13 GLU CB C 13 29.447 0.2 A 13 GLU CG C 13 36.630 0.2 A 13 GLU N N 15 123.599 0.2 A 14 VAL H H 1 7.605 0.02 A 14 VAL HA H 1 3.562 0.02 A 14 VAL HB H 1 1.727 0.02 A 14 VAL HG1% H 1 0.708 0.02 A 14 VAL HG2% H 1 0.891 0.02 A 14 VAL C C 13 177.289 0.2 A 14 VAL CA C 13 64.338 0.2 A 14 VAL CB C 13 32.669 0.2 A 14 VAL CG1 C 13 20.649 0.2 A 14 VAL CG2 C 13 22.340 0.2 A 14 VAL N N 15 113.566 0.2 A 15 ASN H H 1 7.482 0.02 A 15 ASN HA H 1 4.429 0.02 A 15 ASN HBy H 1 2.177 0.02 A 15 ASN HBx H 1 1.652 0.02 A 15 ASN HD2x H 1 6.656 0.02 A 15 ASN HD2y H 1 7.472 0.02 A 15 ASN C C 13 175.201 0.2 A 15 ASN CA C 13 55.218 0.2 A 15 ASN CB C 13 39.927 0.2 A 15 ASN N N 15 112.195 0.2 A 15 ASN ND2 N 15 118.341 0.2 A 16 LYS H H 1 7.413 0.02 A 16 LYS HA H 1 4.338 0.02 A 16 LYS HBy H 1 1.224 0.02 A 16 LYS HBx H 1 0.973 0.02 A 16 LYS HDx H 1 1.248 0.02 A 16 LYS HDy H 1 1.309 0.02 A 16 LYS HEx H 1 2.464 0.02 A 16 LYS HEy H 1 2.955 0.02 A 16 LYS HGx H 1 -0.015 0.02 A 16 LYS HGy H 1 0.638 0.02 A 16 LYS C C 13 175.309 0.2 A 16 LYS CA C 13 54.807 0.2 A 16 LYS CB C 13 32.665 0.2 A 16 LYS CD C 13 27.203 0.2 A 16 LYS CE C 13 42.335 0.2 A 16 LYS CG C 13 22.357 0.2 A 16 LYS N N 15 115.814 0.2 A 17 LEU H H 1 7.490 0.02 A 17 LEU HA H 1 3.603 0.02 A 17 LEU HB2 H 1 1.539 0.02 A 17 LEU HB3 H 1 0.429 0.02 A 17 LEU HD1% H 1 0.753 0.02 A 17 LEU HD2% H 1 0.634 0.02 A 17 LEU HG H 1 1.315 0.02 A 17 LEU C C 13 173.754 0.2 A 17 LEU CA C 13 59.847 0.2 A 17 LEU CB C 13 39.552 0.2 A 17 LEU CD1 C 13 25.117 0.2 A 17 LEU CD2 C 13 24.427 0.2 A 17 LEU CG C 13 27.180 0.2 A 17 LEU N N 15 121.586 0.2 A 18 PRO HA H 1 4.107 0.02 A 18 PRO HB2 H 1 0.583 0.02 A 18 PRO HB3 H 1 2.056 0.02 A 18 PRO HD2 H 1 3.466 0.02 A 18 PRO HD3 H 1 2.419 0.02 A 18 PRO HGy H 1 1.563 0.02 A 18 PRO HGx H 1 1.477 0.02 A 18 PRO C C 13 176.412 0.2 A 18 PRO CA C 13 64.656 0.2 A 18 PRO CB C 13 30.980 0.2 A 18 PRO CD C 13 50.177 0.2 A 18 PRO CG C 13 27.517 0.2 A 19 HIS H H 1 7.631 0.02 A 19 HIS HA H 1 4.857 0.02 A 19 HIS HBy H 1 3.249 0.02 A 19 HIS HBx H 1 2.887 0.02 A 19 HIS HD2 H 1 6.924 0.02 A 19 HIS HE1 H 1 7.917 0.02 A 19 HIS C C 13 175.822 0.2 A 19 HIS CA C 13 55.004 0.2 A 19 HIS CB C 13 32.358 0.2 A 19 HIS CE1 C 13 138.223 0.2 A 19 HIS N N 15 111.190 0.2 A 19 HIS ND1 N 15 215.797 0.2 A 19 HIS NE2 N 15 177.262 0.2 A 20 VAL H H 1 7.124 0.02 A 20 VAL HA H 1 4.728 0.02 A 20 VAL HB H 1 2.393 0.02 A 20 VAL HG1% H 1 1.009 0.02 A 20 VAL HG2% H 1 0.811 0.02 A 20 VAL C C 13 175.497 0.2 A 20 VAL CA C 13 60.134 0.2 A 20 VAL CB C 13 34.199 0.2 A 20 VAL CG1 C 13 21.351 0.2 A 20 VAL CG2 C 13 17.566 0.2 A 20 VAL N N 15 112.191 0.2 A 21 SER H H 1 8.589 0.02 A 21 SER HA H 1 4.531 0.02 A 21 SER HBy H 1 4.412 0.02 A 21 SER HBx H 1 4.129 0.02 A 21 SER C C 13 174.840 0.2 A 21 SER CA C 13 57.236 0.2 A 21 SER CB C 13 65.251 0.2 A 21 SER N N 15 116.825 0.2 A 22 GLU H H 1 8.964 0.02 A 22 GLU HA H 1 3.922 0.02 A 22 GLU HBx H 1 2.128 0.02 A 22 GLU HBy H 1 2.128 0.02 A 22 GLU HGx H 1 2.416 0.02 A 22 GLU HGy H 1 2.416 0.02 A 22 GLU C C 13 178.606 0.2 A 22 GLU CA C 13 59.837 0.2 A 22 GLU CB C 13 29.239 0.2 A 22 GLU CG C 13 36.043 0.2 A 22 GLU N N 15 120.863 0.2 A 23 SER H H 1 8.426 0.02 A 23 SER HA H 1 4.151 0.02 A 23 SER HBx H 1 3.924 0.02 A 23 SER HBy H 1 3.924 0.02 A 23 SER C C 13 176.977 0.2 A 23 SER CA C 13 61.220 0.2 A 23 SER CB C 13 62.252 0.2 A 23 SER N N 15 112.196 0.2 A 24 THR H H 1 7.749 0.02 A 24 THR HA H 1 4.163 0.02 A 24 THR HB H 1 4.414 0.02 A 24 THR HG2% H 1 1.562 0.02 A 24 THR C C 13 176.523 0.2 A 24 THR CA C 13 66.045 0.2 A 24 THR CB C 13 68.305 0.2 A 24 THR CG2 C 13 23.392 0.2 A 24 THR N N 15 120.348 0.2 A 25 LYS H H 1 8.605 0.02 A 25 LYS HA H 1 4.064 0.02 A 25 LYS HBy H 1 2.037 0.02 A 25 LYS HBx H 1 1.968 0.02 A 25 LYS HDx H 1 1.626 0.02 A 25 LYS HDy H 1 1.626 0.02 A 25 LYS HEx H 1 2.841 0.02 A 25 LYS HEy H 1 3.001 0.02 A 25 LYS HGx H 1 1.401 0.02 A 25 LYS HGy H 1 1.687 0.02 A 25 LYS C C 13 178.447 0.2 A 25 LYS CA C 13 61.087 0.2 A 25 LYS CB C 13 32.717 0.2 A 25 LYS CD C 13 30.004 0.2 A 25 LYS CE C 13 42.315 0.2 A 25 LYS CG C 13 25.970 0.2 A 25 LYS N N 15 123.593 0.2 A 26 ARG H H 1 7.485 0.02 A 26 ARG HA H 1 4.146 0.02 A 26 ARG HBx H 1 1.942 0.02 A 26 ARG HBy H 1 1.942 0.02 A 26 ARG HDx H 1 3.270 0.02 A 26 ARG HDy H 1 3.270 0.02 A 26 ARG HGx H 1 1.828 0.02 A 26 ARG HGy H 1 1.828 0.02 A 26 ARG C C 13 179.845 0.2 A 26 ARG CA C 13 58.916 0.2 A 26 ARG CB C 13 30.384 0.2 A 26 ARG CD C 13 43.352 0.2 A 26 ARG CG C 13 26.874 0.2 A 26 ARG N N 15 114.116 0.2 A 27 HIS H H 1 7.677 0.02 A 27 HIS HA H 1 4.757 0.02 A 27 HIS HBy H 1 3.578 0.02 A 27 HIS HBx H 1 3.349 0.02 A 27 HIS HD2 H 1 7.219 0.02 A 27 HIS HE1 H 1 7.805 0.02 A 27 HIS C C 13 179.743 0.2 A 27 HIS CA C 13 58.659 0.2 A 27 HIS CB C 13 30.967 0.2 A 27 HIS CD2 C 13 119.623 0.2 A 27 HIS CE1 C 13 138.529 0.2 A 27 HIS N N 15 119.389 0.2 A 27 HIS ND1 N 15 231.268 0.2 A 27 HIS NE2 N 15 175.499 0.2 A 28 TYR H H 1 8.119 0.02 A 28 TYR HA H 1 4.009 0.02 A 28 TYR HBy H 1 2.537 0.02 A 28 TYR HBx H 1 1.680 0.02 A 28 TYR HD1 H 1 6.775 0.02 A 28 TYR HD2 H 1 6.775 0.02 A 28 TYR HE1 H 1 6.490 0.02 A 28 TYR HE2 H 1 6.490 0.02 A 28 TYR C C 13 178.685 0.2 A 28 TYR CA C 13 63.311 0.2 A 28 TYR CB C 13 38.879 0.2 A 28 TYR CD1 C 13 131.839 0.2 A 28 TYR CE1 C 13 117.274 0.2 A 28 TYR N N 15 121.786 0.2 A 29 GLU H H 1 8.631 0.02 A 29 GLU HA H 1 4.067 0.02 A 29 GLU HBx H 1 2.227 0.02 A 29 GLU HBy H 1 2.227 0.02 A 29 GLU HG2 H 1 2.601 0.02 A 29 GLU HG3 H 1 2.422 0.02 A 29 GLU C C 13 179.950 0.2 A 29 GLU CA C 13 59.827 0.2 A 29 GLU CB C 13 29.172 0.2 A 29 GLU CG C 13 36.129 0.2 A 29 GLU N N 15 119.090 0.2 A 30 SER H H 1 8.307 0.02 A 30 SER HA H 1 4.467 0.02 A 30 SER HBx H 1 4.209 0.02 A 30 SER HBy H 1 4.294 0.02 A 30 SER C C 13 177.445 0.2 A 30 SER CA C 13 61.068 0.2 A 30 SER CB C 13 63.054 0.2 A 30 SER N N 15 115.027 0.2 A 31 ALA H H 1 8.319 0.02 A 31 ALA HA H 1 4.070 0.02 A 31 ALA HB% H 1 1.629 0.02 A 31 ALA C C 13 178.488 0.2 A 31 ALA CA C 13 55.926 0.2 A 31 ALA CB C 13 18.510 0.2 A 31 ALA N N 15 124.966 0.2 A 32 TYR H H 1 8.537 0.02 A 32 TYR HA H 1 4.114 0.02 A 32 TYR HBx H 1 3.444 0.02 A 32 TYR HBy H 1 3.525 0.02 A 32 TYR HD1 H 1 7.286 0.02 A 32 TYR HD2 H 1 7.286 0.02 A 32 TYR HE1 H 1 6.838 0.02 A 32 TYR HE2 H 1 6.838 0.02 A 32 TYR C C 13 175.705 0.2 A 32 TYR CA C 13 60.480 0.2 A 32 TYR CB C 13 37.864 0.2 A 32 TYR CD1 C 13 133.061 0.2 A 32 TYR CE1 C 13 118.632 0.2 A 32 TYR N N 15 116.814 0.2 A 33 LYS H H 1 7.988 0.02 A 33 LYS HA H 1 3.513 0.02 A 33 LYS HBx H 1 1.993 0.02 A 33 LYS HBy H 1 1.993 0.02 A 33 LYS HDx H 1 1.641 0.02 A 33 LYS HDy H 1 1.641 0.02 A 33 LYS HEy H 1 2.989 0.02 A 33 LYS HEx H 1 2.940 0.02 A 33 LYS HGy H 1 1.512 0.02 A 33 LYS HGx H 1 1.319 0.02 A 33 LYS C C 13 178.474 0.2 A 33 LYS CA C 13 59.810 0.2 A 33 LYS CB C 13 32.000 0.2 A 33 LYS CD C 13 28.902 0.2 A 33 LYS CE C 13 42.300 0.2 A 33 LYS CG C 13 24.861 0.2 A 33 LYS N N 15 119.358 0.2 A 34 HIS H H 1 8.187 0.02 A 34 HIS HA H 1 4.449 0.02 A 34 HIS HBx H 1 3.289 0.02 A 34 HIS HBy H 1 3.289 0.02 A 34 HIS HD2 H 1 7.283 0.02 A 34 HIS HE1 H 1 7.973 0.02 A 34 HIS C C 13 178.948 0.2 A 34 HIS CA C 13 60.883 0.2 A 34 HIS CB C 13 28.843 0.2 A 34 HIS CD2 C 13 124.801 0.2 A 34 HIS CE1 C 13 138.224 0.2 A 34 HIS N N 15 116.156 0.2 A 34 HIS ND1 N 15 194.754 0.2 A 34 HIS NE2 N 15 213.426 0.2 A 35 ILE H H 1 8.676 0.02 A 35 ILE HA H 1 3.513 0.02 A 35 ILE HB H 1 1.657 0.02 A 35 ILE HD1% H 1 -0.285 0.02 A 35 ILE HG1y H 1 1.621 0.02 A 35 ILE HG1x H 1 0.343 0.02 A 35 ILE HG2% H 1 0.054 0.02 A 35 ILE C C 13 177.630 0.2 A 35 ILE CA C 13 65.690 0.2 A 35 ILE CB C 13 38.481 0.2 A 35 ILE CD1 C 13 12.789 0.2 A 35 ILE CG1 C 13 29.251 0.2 A 35 ILE CG2 C 13 15.557 0.2 A 35 ILE N N 15 121.824 0.2 A 36 LYS H H 1 8.797 0.02 A 36 LYS HA H 1 3.712 0.02 A 36 LYS HBx H 1 1.289 0.02 A 36 LYS HBy H 1 1.543 0.02 A 36 LYS HDy H 1 1.448 0.02 A 36 LYS HDx H 1 1.367 0.02 A 36 LYS HEx H 1 2.649 0.02 A 36 LYS HEy H 1 2.787 0.02 A 36 LYS HGy H 1 1.280 0.02 A 36 LYS HGx H 1 1.184 0.02 A 36 LYS C C 13 179.397 0.2 A 36 LYS CA C 13 59.860 0.2 A 36 LYS CB C 13 31.878 0.2 A 36 LYS CD C 13 29.237 0.2 A 36 LYS CE C 13 41.629 0.2 A 36 LYS CG C 13 24.381 0.2 A 36 LYS N N 15 121.589 0.2 A 37 ASP H H 1 8.246 0.02 A 37 ASP HA H 1 4.336 0.02 A 37 ASP HBx H 1 2.660 0.02 A 37 ASP HBy H 1 2.768 0.02 A 37 ASP C C 13 177.234 0.2 A 37 ASP CA C 13 56.932 0.2 A 37 ASP CB C 13 40.576 0.2 A 37 ASP N N 15 118.225 0.2 A 38 HIS H H 1 7.867 0.02 A 38 HIS HA H 1 4.284 0.02 A 38 HIS HBx H 1 2.707 0.02 A 38 HIS HBy H 1 3.239 0.02 A 38 HIS HE1 H 1 7.682 0.02 A 38 HIS C C 13 176.839 0.2 A 38 HIS CA C 13 59.389 0.2 A 38 HIS CB C 13 31.630 0.2 A 38 HIS CE1 C 13 137.836 0.2 A 38 HIS N N 15 115.487 0.2 A 39 PHE H H 1 9.082 0.02 A 39 PHE HA H 1 4.369 0.02 A 39 PHE HBx H 1 3.059 0.02 A 39 PHE HBy H 1 3.313 0.02 A 39 PHE HD1 H 1 7.446 0.02 A 39 PHE HD2 H 1 7.446 0.02 A 39 PHE HE1 H 1 6.640 0.02 A 39 PHE HE2 H 1 6.640 0.02 A 39 PHE HZ H 1 6.966 0.02 A 39 PHE C C 13 175.890 0.2 A 39 PHE CA C 13 60.159 0.2 A 39 PHE CB C 13 38.850 0.2 A 39 PHE CD1 C 13 132.542 0.2 A 39 PHE CE1 C 13 130.998 0.2 A 39 PHE CZ C 13 128.828 0.2 A 39 PHE N N 15 114.327 0.2 A 40 ARG H H 1 8.104 0.02 A 40 ARG HA H 1 3.921 0.02 A 40 ARG HB2 H 1 1.721 0.02 A 40 ARG HB3 H 1 2.061 0.02 A 40 ARG HDy H 1 3.224 0.02 A 40 ARG HDx H 1 3.164 0.02 A 40 ARG HGx H 1 1.480 0.02 A 40 ARG HGy H 1 1.543 0.02 A 40 ARG C C 13 176.892 0.2 A 40 ARG CA C 13 58.009 0.2 A 40 ARG CB C 13 27.531 0.2 A 40 ARG CD C 13 43.174 0.2 A 40 ARG CG C 13 26.927 0.2 A 40 ARG N N 15 118.379 0.2 A 41 HIS H H 1 8.589 0.02 A 41 HIS HA H 1 4.910 0.02 A 41 HIS HBy H 1 3.417 0.02 A 41 HIS HBx H 1 3.181 0.02 A 41 HIS HD2 H 1 7.073 0.02 A 41 HIS C C 13 174.835 0.2 A 41 HIS CA C 13 55.473 0.2 A 41 HIS CB C 13 29.720 0.2 A 41 HIS CD2 C 13 118.974 0.2 A 41 HIS N N 15 123.828 0.2 A 42 LYS H H 1 8.326 0.02 A 42 LYS HA H 1 4.181 0.02 A 42 LYS HBy H 1 2.108 0.02 A 42 LYS HBx H 1 1.851 0.02 A 42 LYS HDx H 1 1.928 0.02 A 42 LYS HDy H 1 1.928 0.02 A 42 LYS HEx H 1 3.137 0.02 A 42 LYS HEy H 1 3.137 0.02 A 42 LYS HG2 H 1 1.848 0.02 A 42 LYS HG3 H 1 1.697 0.02 A 42 LYS C C 13 177.973 0.2 A 42 LYS CA C 13 58.201 0.2 A 42 LYS CB C 13 33.047 0.2 A 42 LYS CD C 13 29.596 0.2 A 42 LYS CE C 13 41.973 0.2 A 42 LYS CG C 13 26.124 0.2 A 42 LYS N N 15 121.129 0.2 A 43 LEU H H 1 9.243 0.02 A 43 LEU HA H 1 4.346 0.02 A 43 LEU HBy H 1 1.906 0.02 A 43 LEU HBx H 1 1.688 0.02 A 43 LEU HD1% H 1 1.026 0.02 A 43 LEU HD2% H 1 0.821 0.02 A 43 LEU HG H 1 1.994 0.02 A 43 LEU C C 13 177.840 0.2 A 43 LEU CA C 13 55.420 0.2 A 43 LEU CB C 13 40.936 0.2 A 43 LEU CD1 C 13 25.681 0.2 A 43 LEU CD2 C 13 22.385 0.2 A 43 LEU CG C 13 26.853 0.2 A 43 LEU N N 15 124.529 0.2 A 44 LEU H H 1 8.404 0.02 A 44 LEU HA H 1 3.681 0.02 A 44 LEU HBy H 1 1.810 0.02 A 44 LEU HBx H 1 1.072 0.02 A 44 LEU HDx% H 1 0.279 0.02 A 44 LEU HDy% H 1 0.002 0.02 A 44 LEU HG H 1 1.130 0.02 A 44 LEU C C 13 177.962 0.2 A 44 LEU CA C 13 58.773 0.2 A 44 LEU CB C 13 42.661 0.2 A 44 LEU CD1 C 13 25.453 0.2 A 44 LEU CD2 C 13 25.478 0.2 A 44 LEU CG C 13 25.816 0.2 A 44 LEU N N 15 123.643 0.2 A 45 LYS HA H 1 4.126 0.02 A 45 LYS HBx H 1 1.829 0.02 A 45 LYS HBy H 1 2.034 0.02 A 45 LYS HDy H 1 1.801 0.02 A 45 LYS HDx H 1 1.641 0.02 A 45 LYS HEy H 1 3.087 0.02 A 45 LYS HEx H 1 2.962 0.02 A 45 LYS HGy H 1 1.479 0.02 A 45 LYS HGx H 1 1.349 0.02 A 45 LYS C C 13 175.533 0.2 A 45 LYS CA C 13 57.405 0.2 A 45 LYS CB C 13 31.650 0.2 A 45 LYS CD C 13 29.259 0.2 A 45 LYS CE C 13 42.152 0.2 A 45 LYS CG C 13 23.383 0.2 A 46 ASP H H 1 7.520 0.02 A 46 ASP HA H 1 4.888 0.02 A 46 ASP HBx H 1 2.643 0.02 A 46 ASP HBy H 1 2.979 0.02 A 46 ASP C C 13 175.811 0.2 A 46 ASP CA C 13 54.268 0.2 A 46 ASP CB C 13 42.178 0.2 A 46 ASP N N 15 118.587 0.2 A 47 ILE H H 1 6.965 0.02 A 47 ILE HA H 1 4.048 0.02 A 47 ILE HB H 1 1.830 0.02 A 47 ILE HD1% H 1 0.338 0.02 A 47 ILE HG1y H 1 1.848 0.02 A 47 ILE HG1x H 1 0.457 0.02 A 47 ILE HG2% H 1 0.385 0.02 A 47 ILE C C 13 175.362 0.2 A 47 ILE CA C 13 59.826 0.2 A 47 ILE CB C 13 34.389 0.2 A 47 ILE CD1 C 13 9.643 0.2 A 47 ILE CG1 C 13 25.099 0.2 A 47 ILE CG2 C 13 16.188 0.2 A 47 ILE N N 15 119.126 0.2 A 48 LYS H H 1 8.489 0.02 A 48 LYS HA H 1 4.635 0.02 A 48 LYS HBx H 1 1.870 0.02 A 48 LYS HBy H 1 2.246 0.02 A 48 LYS HDx H 1 1.719 0.02 A 48 LYS HDy H 1 1.719 0.02 A 48 LYS HEx H 1 3.079 0.02 A 48 LYS HEy H 1 3.079 0.02 A 48 LYS HGy H 1 1.596 0.02 A 48 LYS HGx H 1 1.514 0.02 A 48 LYS C C 13 177.252 0.2 A 48 LYS CA C 13 54.357 0.2 A 48 LYS CB C 13 34.753 0.2 A 48 LYS CD C 13 28.575 0.2 A 48 LYS CE C 13 42.230 0.2 A 48 LYS CG C 13 24.784 0.2 A 48 LYS N N 15 127.892 0.2 A 49 ARG H H 1 8.816 0.02 A 49 ARG HA H 1 4.314 0.02 A 49 ARG HBx H 1 1.991 0.02 A 49 ARG HBy H 1 1.991 0.02 A 49 ARG HDx H 1 3.280 0.02 A 49 ARG HDy H 1 3.280 0.02 A 49 ARG HGy H 1 1.928 0.02 A 49 ARG HGx H 1 1.715 0.02 A 49 ARG C C 13 178.464 0.2 A 49 ARG CA C 13 60.341 0.2 A 49 ARG CB C 13 30.197 0.2 A 49 ARG CD C 13 43.665 0.2 A 49 ARG CG C 13 26.826 0.2 A 49 ARG N N 15 122.736 0.2 A 50 THR H H 1 8.269 0.02 A 50 THR HA H 1 4.079 0.02 A 50 THR HB H 1 4.206 0.02 A 50 THR HG2% H 1 1.348 0.02 A 50 THR C C 13 177.316 0.2 A 50 THR CA C 13 65.501 0.2 A 50 THR CB C 13 67.951 0.2 A 50 THR CG2 C 13 22.358 0.2 A 50 THR N N 15 110.696 0.2 A 51 GLU H H 1 7.260 0.02 A 51 GLU HA H 1 4.239 0.02 A 51 GLU HBx H 1 2.334 0.02 A 51 GLU HBy H 1 2.577 0.02 A 51 GLU HGy H 1 2.601 0.02 A 51 GLU HGx H 1 2.458 0.02 A 51 GLU C C 13 179.621 0.2 A 51 GLU CA C 13 58.921 0.2 A 51 GLU CB C 13 29.916 0.2 A 51 GLU CG C 13 37.131 0.2 A 51 GLU N N 15 121.344 0.2 A 52 TYR H H 1 8.678 0.02 A 52 TYR HA H 1 4.376 0.02 A 52 TYR HBx H 1 2.673 0.02 A 52 TYR HBy H 1 2.997 0.02 A 52 TYR HD1 H 1 6.846 0.02 A 52 TYR HD2 H 1 6.846 0.02 A 52 TYR HE1 H 1 6.830 0.02 A 52 TYR HE2 H 1 6.830 0.02 A 52 TYR HH H 1 10.320 0.02 A 52 TYR C C 13 176.120 0.2 A 52 TYR CA C 13 62.660 0.2 A 52 TYR CB C 13 38.206 0.2 A 52 TYR CD1 C 13 131.331 0.2 A 52 TYR CE1 C 13 118.268 0.2 A 52 TYR N N 15 122.483 0.2 A 53 GLN H H 1 8.801 0.02 A 53 GLN HA H 1 3.721 0.02 A 53 GLN HBx H 1 2.214 0.02 A 53 GLN HBy H 1 2.365 0.02 A 53 GLN HE2x H 1 7.308 0.02 A 53 GLN HE2y H 1 8.149 0.02 A 53 GLN HGy H 1 2.452 0.02 A 53 GLN HGx H 1 2.323 0.02 A 53 GLN C C 13 177.894 0.2 A 53 GLN CA C 13 58.111 0.2 A 53 GLN CB C 13 28.909 0.2 A 53 GLN CG C 13 34.079 0.2 A 53 GLN N N 15 118.817 0.2 A 53 GLN NE2 N 15 117.282 0.2 A 54 LYS H H 1 7.685 0.02 A 54 LYS HA H 1 4.051 0.02 A 54 LYS HBx H 1 2.051 0.02 A 54 LYS HBy H 1 2.051 0.02 A 54 LYS HDx H 1 1.804 0.02 A 54 LYS HDy H 1 1.804 0.02 A 54 LYS HEx H 1 3.036 0.02 A 54 LYS HEy H 1 3.036 0.02 A 54 LYS HGy H 1 1.704 0.02 A 54 LYS HGx H 1 1.516 0.02 A 54 LYS C C 13 178.918 0.2 A 54 LYS CA C 13 59.845 0.2 A 54 LYS CB C 13 32.339 0.2 A 54 LYS CD C 13 29.269 0.2 A 54 LYS CE C 13 42.001 0.2 A 54 LYS CG C 13 25.433 0.2 A 54 LYS N N 15 118.629 0.2 A 55 PHE H H 1 7.533 0.02 A 55 PHE HA H 1 3.660 0.02 A 55 PHE HB2 H 1 2.556 0.02 A 55 PHE HB3 H 1 3.241 0.02 A 55 PHE HD1 H 1 6.547 0.02 A 55 PHE HD2 H 1 6.547 0.02 A 55 PHE HE1 H 1 6.976 0.02 A 55 PHE HE2 H 1 6.976 0.02 A 55 PHE HZ H 1 6.695 0.02 A 55 PHE C C 13 176.180 0.2 A 55 PHE CA C 13 59.494 0.2 A 55 PHE CB C 13 38.189 0.2 A 55 PHE CD1 C 13 132.370 0.2 A 55 PHE CE1 C 13 129.995 0.2 A 55 PHE CZ C 13 128.236 0.2 A 55 PHE N N 15 120.449 0.2 A 56 LEU H H 1 8.019 0.02 A 56 LEU HA H 1 3.254 0.02 A 56 LEU HBx H 1 1.278 0.02 A 56 LEU HBy H 1 1.504 0.02 A 56 LEU HD1% H 1 0.592 0.02 A 56 LEU HD2% H 1 0.450 0.02 A 56 LEU HG H 1 1.057 0.02 A 56 LEU C C 13 179.581 0.2 A 56 LEU CA C 13 57.366 0.2 A 56 LEU CB C 13 41.462 0.2 A 56 LEU CD1 C 13 26.138 0.2 A 56 LEU CD2 C 13 21.782 0.2 A 56 LEU CG C 13 25.462 0.2 A 56 LEU N N 15 120.223 0.2 A 57 ASN H H 1 8.427 0.02 A 57 ASN HA H 1 4.324 0.02 A 57 ASN HBx H 1 2.853 0.02 A 57 ASN HBy H 1 2.973 0.02 A 57 ASN HD2y H 1 7.641 0.02 A 57 ASN HD2x H 1 7.035 0.02 A 57 ASN C C 13 178.105 0.2 A 57 ASN CA C 13 55.194 0.2 A 57 ASN CB C 13 36.948 0.2 A 57 ASN N N 15 118.422 0.2 A 57 ASN ND2 N 15 109.815 0.2 A 58 GLU H H 1 7.873 0.02 A 58 GLU HA H 1 4.063 0.02 A 58 GLU HBx H 1 2.133 0.02 A 58 GLU HBy H 1 2.133 0.02 A 58 GLU HGx H 1 2.217 0.02 A 58 GLU HGy H 1 2.406 0.02 A 58 GLU C C 13 179.660 0.2 A 58 GLU CA C 13 59.064 0.2 A 58 GLU CB C 13 29.592 0.2 A 58 GLU CG C 13 36.453 0.2 A 58 GLU N N 15 121.129 0.2 A 59 TYR H H 1 8.638 0.02 A 59 TYR HA H 1 3.949 0.02 A 59 TYR HBx H 1 2.235 0.02 A 59 TYR HBy H 1 2.453 0.02 A 59 TYR HD1 H 1 6.355 0.02 A 59 TYR HD2 H 1 6.355 0.02 A 59 TYR HE1 H 1 5.496 0.02 A 59 TYR HE2 H 1 5.496 0.02 A 59 TYR C C 13 179.907 0.2 A 59 TYR CA C 13 61.870 0.2 A 59 TYR CB C 13 38.156 0.2 A 59 TYR CD1 C 13 132.011 0.2 A 59 TYR CE1 C 13 117.215 0.2 A 59 TYR N N 15 124.461 0.2 A 60 GLY H H 1 8.925 0.02 A 60 GLY HAx H 1 3.947 0.02 A 60 GLY HAy H 1 4.175 0.02 A 60 GLY C C 13 173.294 0.2 A 60 GLY CA C 13 46.424 0.2 A 60 GLY N N 15 107.578 0.2 A 61 LEU H H 1 7.448 0.02 A 61 LEU HA H 1 4.238 0.02 A 61 LEU HBx H 1 1.507 0.02 A 61 LEU HBy H 1 1.961 0.02 A 61 LEU HD1% H 1 0.976 0.02 A 61 LEU HD2% H 1 0.860 0.02 A 61 LEU HG H 1 2.098 0.02 A 61 LEU C C 13 179.159 0.2 A 61 LEU CA C 13 57.274 0.2 A 61 LEU CB C 13 42.304 0.2 A 61 LEU CD1 C 13 25.441 0.2 A 61 LEU CD2 C 13 22.169 0.2 A 61 LEU CG C 13 26.144 0.2 A 61 LEU N N 15 118.202 0.2 A 62 THR H H 1 6.974 0.02 A 62 THR HA H 1 4.385 0.02 A 62 THR HB H 1 4.167 0.02 A 62 THR HG2% H 1 0.986 0.02 A 62 THR C C 13 173.170 0.2 A 62 THR CA C 13 59.813 0.2 A 62 THR CB C 13 69.697 0.2 A 62 THR CG2 C 13 21.333 0.2 A 62 THR N N 15 101.223 0.2 A 63 HIS H H 1 7.041 0.02 A 63 HIS HA H 1 4.861 0.02 A 63 HIS HBy H 1 3.042 0.02 A 63 HIS HBx H 1 2.076 0.02 A 63 HIS HD2 H 1 7.147 0.02 A 63 HIS HE1 H 1 7.793 0.02 A 63 HIS C C 13 172.567 0.2 A 63 HIS CA C 13 55.522 0.2 A 63 HIS CB C 13 32.328 0.2 A 63 HIS CD2 C 13 119.645 0.2 A 63 HIS CE1 C 13 135.434 0.2 A 63 HIS N N 15 116.818 0.2 A 63 HIS ND1 N 15 178.609 0.2 A 63 HIS NE2 N 15 176.488 0.2 A 64 SER H H 1 8.717 0.2 A 64 SER HA H 1 4.582 0.2 A 64 SER HBx H 1 4.026 0.2 A 64 SER HBy H 1 4.383 0.2 A 64 SER C C 13 174.545 0.2 A 64 SER CA C 13 57.169 0.2 A 64 SER CB C 13 65.484 0.2 A 64 SER N N 15 116.128 0.2 A 65 TYR H H 1 9.054 0.02 A 65 TYR HA H 1 4.059 0.02 A 65 TYR HBx H 1 2.956 0.02 A 65 TYR HBy H 1 3.178 0.02 A 65 TYR HD1 H 1 7.002 0.02 A 65 TYR HD2 H 1 7.002 0.02 A 65 TYR HE1 H 1 6.708 0.02 A 65 TYR HE2 H 1 6.708 0.02 A 65 TYR C C 13 176.918 0.2 A 65 TYR CA C 13 61.906 0.2 A 65 TYR CB C 13 38.185 0.2 A 65 TYR CD1 C 13 132.735 0.2 A 65 TYR CE1 C 13 117.933 0.2 A 65 TYR N N 15 121.679 0.2 A 66 GLU H H 1 8.965 0.02 A 66 GLU HA H 1 3.888 0.02 A 66 GLU HBx H 1 1.925 0.02 A 66 GLU HBy H 1 2.095 0.02 A 66 GLU HG2 H 1 2.294 0.02 A 66 GLU HG3 H 1 2.415 0.02 A 66 GLU C C 13 178.764 0.2 A 66 GLU CA C 13 59.329 0.2 A 66 GLU CB C 13 28.874 0.2 A 66 GLU CG C 13 36.105 0.2 A 66 GLU N N 15 117.723 0.2 A 67 THR H H 1 7.626 0.02 A 67 THR HA H 1 3.864 0.02 A 67 THR HB H 1 4.393 0.02 A 67 THR HG2% H 1 1.404 0.02 A 67 THR C C 13 176.681 0.2 A 67 THR CA C 13 66.368 0.2 A 67 THR CB C 13 68.290 0.2 A 67 THR CG2 C 13 23.279 0.2 A 67 THR N N 15 116.084 0.2 A 68 ILE H H 1 8.324 0.02 A 68 ILE HA H 1 3.686 0.02 A 68 ILE HB H 1 1.734 0.02 A 68 ILE HD1% H 1 0.902 0.02 A 68 ILE HG12 H 1 1.642 0.02 A 68 ILE HG13 H 1 0.970 0.02 A 68 ILE HG2% H 1 0.930 0.02 A 68 ILE C C 13 176.527 0.2 A 68 ILE CA C 13 65.205 0.2 A 68 ILE CB C 13 38.355 0.2 A 68 ILE CD1 C 13 15.333 0.2 A 68 ILE CG1 C 13 28.547 0.2 A 68 ILE CG2 C 13 17.924 0.2 A 68 ILE N N 15 123.174 0.2 A 69 ARG H H 1 8.407 0.02 A 69 ARG HA H 1 3.673 0.02 A 69 ARG HBy H 1 1.701 0.02 A 69 ARG HBx H 1 1.375 0.02 A 69 ARG HDx H 1 2.987 0.02 A 69 ARG HDy H 1 3.158 0.02 A 69 ARG HGy H 1 1.477 0.02 A 69 ARG HGx H 1 1.380 0.02 A 69 ARG C C 13 179.687 0.2 A 69 ARG CA C 13 59.577 0.2 A 69 ARG CB C 13 29.560 0.2 A 69 ARG CD C 13 43.297 0.2 A 69 ARG CG C 13 26.700 0.2 A 69 ARG N N 15 121.358 0.2 A 70 LYS H H 1 7.562 0.02 A 70 LYS HA H 1 3.617 0.02 A 70 LYS HBx H 1 1.513 0.02 A 70 LYS HBy H 1 1.688 0.02 A 70 LYS HDx H 1 1.385 0.02 A 70 LYS HDy H 1 1.556 0.02 A 70 LYS HEx H 1 2.775 0.02 A 70 LYS HEy H 1 2.775 0.02 A 70 LYS HGx H 1 1.105 0.02 A 70 LYS HGy H 1 1.372 0.02 A 70 LYS C C 13 177.129 0.2 A 70 LYS CA C 13 59.380 0.2 A 70 LYS CB C 13 31.978 0.2 A 70 LYS CD C 13 28.887 0.2 A 70 LYS CE C 13 41.616 0.2 A 70 LYS CG C 13 24.994 0.2 A 70 LYS N N 15 120.218 0.2 A 71 LEU H H 1 7.640 0.02 A 71 LEU HA H 1 3.629 0.02 A 71 LEU HBx H 1 1.312 0.02 A 71 LEU HBy H 1 1.532 0.02 A 71 LEU HD1% H 1 0.701 0.02 A 71 LEU HD2% H 1 -0.157 0.02 A 71 LEU HG H 1 1.298 0.02 A 71 LEU C C 13 178.157 0.2 A 71 LEU CA C 13 58.477 0.2 A 71 LEU CB C 13 41.262 0.2 A 71 LEU CD1 C 13 23.921 0.2 A 71 LEU CD2 C 13 24.448 0.2 A 71 LEU CG C 13 26.137 0.2 A 71 LEU N N 15 119.991 0.2 A 72 ASN H H 1 8.474 0.02 A 72 ASN HA H 1 4.485 0.02 A 72 ASN HBx H 1 2.418 0.02 A 72 ASN HBy H 1 2.719 0.02 A 72 ASN HD2x H 1 7.002 0.02 A 72 ASN HD2y H 1 8.117 0.02 A 72 ASN C C 13 176.285 0.2 A 72 ASN CA C 13 56.424 0.2 A 72 ASN CB C 13 39.544 0.2 A 72 ASN N N 15 114.097 0.2 A 72 ASN ND2 N 15 114.070 0.2 A 73 SER H H 1 7.878 0.02 A 73 SER HA H 1 4.177 0.02 A 73 SER HBx H 1 4.051 0.02 A 73 SER HBy H 1 4.051 0.02 A 73 SER C C 13 176.734 0.2 A 73 SER CA C 13 61.741 0.2 A 73 SER CB C 13 62.573 0.2 A 73 SER N N 15 115.022 0.2 A 74 TYR H H 1 8.078 0.2 A 74 TYR HA H 1 5.168 0.2 A 74 TYR HBx H 1 3.554 0.2 A 74 TYR HBy H 1 3.554 0.2 A 74 TYR HD1 H 1 6.875 0.2 A 74 TYR HD2 H 1 6.875 0.2 A 74 TYR HE1 H 1 6.345 0.2 A 74 TYR HE2 H 1 6.345 0.2 A 74 TYR C C 13 178.436 0.2 A 74 TYR CA C 13 58.023 0.2 A 74 TYR CB C 13 37.835 0.2 A 74 TYR CD1 C 13 130.989 0.2 A 74 TYR CE1 C 13 116.910 0.2 A 74 TYR N N 15 122.937 0.2 A 75 ILE H H 1 8.264 0.02 A 75 ILE HA H 1 3.647 0.02 A 75 ILE HB H 1 2.234 0.02 A 75 ILE HD1% H 1 1.125 0.02 A 75 ILE HG1y H 1 2.188 0.02 A 75 ILE HG1x H 1 0.871 0.02 A 75 ILE HG2% H 1 1.073 0.02 A 75 ILE C C 13 177.656 0.2 A 75 ILE CA C 13 66.349 0.2 A 75 ILE CB C 13 37.494 0.2 A 75 ILE CD1 C 13 14.984 0.2 A 75 ILE CG1 C 13 30.603 0.2 A 75 ILE CG2 C 13 19.235 0.2 A 75 ILE N N 15 119.080 0.2 A 76 ARG H H 1 9.316 0.02 A 76 ARG HA H 1 3.896 0.02 A 76 ARG HBy H 1 1.996 0.02 A 76 ARG HBx H 1 1.908 0.02 A 76 ARG HDx H 1 3.202 0.02 A 76 ARG HDy H 1 3.202 0.02 A 76 ARG HE H 1 7.092 0.02 A 76 ARG HGx H 1 1.410 0.02 A 76 ARG HGy H 1 1.554 0.02 A 76 ARG C C 13 179.033 0.2 A 76 ARG CA C 13 60.536 0.2 A 76 ARG CB C 13 30.238 0.2 A 76 ARG CD C 13 43.889 0.2 A 76 ARG CG C 13 26.361 0.2 A 76 ARG N N 15 121.985 0.2 A 76 ARG NE N 15 85.461 0.2 A 77 ASN H H 1 8.003 0.02 A 77 ASN HA H 1 4.605 0.02 A 77 ASN HBx H 1 3.303 0.02 A 77 ASN HBy H 1 3.427 0.02 A 77 ASN HD2y H 1 7.666 0.02 A 77 ASN HD2x H 1 7.480 0.02 A 77 ASN C C 13 177.146 0.2 A 77 ASN CA C 13 55.755 0.2 A 77 ASN CB C 13 38.857 0.2 A 77 ASN N N 15 117.750 0.2 A 77 ASN ND2 N 15 114.029 0.2 A 78 ALA H H 1 8.082 0.02 A 78 ALA HA H 1 2.351 0.02 A 78 ALA HB% H 1 0.539 0.02 A 78 ALA C C 13 181.084 0.2 A 78 ALA CA C 13 54.703 0.2 A 78 ALA CB C 13 16.121 0.2 A 78 ALA N N 15 124.770 0.2 A 79 PHE H H 1 8.603 0.02 A 79 PHE HA H 1 3.974 0.02 A 79 PHE HBx H 1 2.536 0.02 A 79 PHE HBy H 1 2.897 0.02 A 79 PHE HD1 H 1 7.025 0.02 A 79 PHE HD2 H 1 7.025 0.02 A 79 PHE HE1 H 1 6.608 0.02 A 79 PHE HE2 H 1 6.608 0.02 A 79 PHE HZ H 1 5.948 0.02 A 79 PHE C C 13 177.841 0.2 A 79 PHE CA C 13 63.302 0.2 A 79 PHE CB C 13 40.594 0.2 A 79 PHE CD1 C 13 130.313 0.2 A 79 PHE CE1 C 13 131.033 0.2 A 79 PHE CZ C 13 129.245 0.2 A 79 PHE N N 15 116.847 0.2 A 80 ASP H H 1 8.298 0.02 A 80 ASP HA H 1 4.620 0.02 A 80 ASP HBx H 1 2.723 0.02 A 80 ASP HBy H 1 2.908 0.02 A 80 ASP C C 13 179.845 0.2 A 80 ASP CA C 13 57.957 0.2 A 80 ASP CB C 13 39.595 0.2 A 80 ASP N N 15 121.362 0.2 A 81 ASP H H 1 8.051 0.02 A 81 ASP HA H 1 4.724 0.02 A 81 ASP HBx H 1 2.885 0.02 A 81 ASP HBy H 1 3.009 0.02 A 81 ASP C C 13 177.963 0.2 A 81 ASP CA C 13 57.537 0.2 A 81 ASP CB C 13 39.463 0.2 A 81 ASP N N 15 122.166 0.2 A 82 ALA H H 1 8.025 0.02 A 82 ALA HA H 1 4.106 0.02 A 82 ALA HB% H 1 1.172 0.02 A 82 ALA C C 13 180.223 0.2 A 82 ALA CA C 13 55.194 0.2 A 82 ALA CB C 13 17.947 0.2 A 82 ALA N N 15 124.747 0.2 A 83 ILE H H 1 8.327 0.02 A 83 ILE HA H 1 4.235 0.02 A 83 ILE HB H 1 1.975 0.02 A 83 ILE HD1% H 1 0.743 0.02 A 83 ILE HG1y H 1 1.755 0.02 A 83 ILE HG1x H 1 0.566 0.02 A 83 ILE HG2% H 1 0.917 0.02 A 83 ILE C C 13 180.768 0.2 A 83 ILE CA C 13 63.966 0.2 A 83 ILE CB C 13 38.254 0.2 A 83 ILE CD1 C 13 14.108 0.2 A 83 ILE CG1 C 13 29.730 0.2 A 83 ILE CG2 C 13 16.860 0.2 A 83 ILE N N 15 120.907 0.2 A 84 HIS H H 1 7.934 0.02 A 84 HIS HA H 1 4.434 0.02 A 84 HIS HBy H 1 3.562 0.02 A 84 HIS HBx H 1 3.470 0.02 A 84 HIS HD2 H 1 7.330 0.02 A 84 HIS HE1 H 1 8.338 0.02 A 84 HIS C C 13 178.250 0.2 A 84 HIS CA C 13 59.042 0.2 A 84 HIS CB C 13 28.750 0.2 A 84 HIS CD2 C 13 120.172 0.2 A 84 HIS CE1 C 13 137.038 0.2 A 84 HIS N N 15 121.346 0.2 A 84 HIS ND1 N 15 191.845 0.2 A 84 HIS NE2 N 15 176.562 0.2 A 85 GLU H H 1 8.074 0.02 A 85 GLU HA H 1 4.192 0.02 A 85 GLU HBy H 1 2.057 0.02 A 85 GLU HBx H 1 1.835 0.02 A 85 GLU HGy H 1 2.561 0.02 A 85 GLU HGx H 1 2.445 0.02 A 85 GLU C C 13 176.510 0.2 A 85 GLU CA C 13 56.512 0.2 A 85 GLU CB C 13 30.284 0.2 A 85 GLU CG C 13 36.461 0.2 A 85 GLU N N 15 115.467 0.2 A 86 GLY H H 1 7.715 0.02 A 86 GLY HAx H 1 3.844 0.02 A 86 GLY HAy H 1 4.136 0.02 A 86 GLY C C 13 175.243 0.2 A 86 GLY CA C 13 45.108 0.2 A 86 GLY N N 15 105.999 0.2 A 87 TYR H H 1 8.173 0.02 A 87 TYR HA H 1 4.396 0.02 A 87 TYR HBx H 1 2.520 0.02 A 87 TYR HBy H 1 2.520 0.02 A 87 TYR HD1 H 1 7.019 0.02 A 87 TYR HD2 H 1 7.019 0.02 A 87 TYR HE1 H 1 7.002 0.02 A 87 TYR HE2 H 1 7.002 0.02 A 87 TYR CA C 13 59.317 0.2 A 87 TYR CB C 13 39.558 0.2 A 87 TYR CD1 C 13 132.011 0.2 A 87 TYR CE1 C 13 118.305 0.2 A 87 TYR N N 15 118.412 0.2 A 88 VAL HA H 1 4.583 0.02 A 88 VAL HB H 1 2.262 0.02 A 88 VAL HGx% H 1 0.765 0.02 A 88 VAL HGy% H 1 0.861 0.02 A 88 VAL CB C 13 36.112 0.2 A 88 VAL CG1 C 13 19.926 0.2 A 88 VAL CG2 C 13 22.730 0.2 A 89 ILE HA H 1 4.426 0.02 A 89 ILE HB H 1 1.912 0.02 A 89 ILE HD1% H 1 0.816 0.02 A 89 ILE HG1y H 1 1.378 0.02 A 89 ILE HG1x H 1 1.132 0.02 A 89 ILE HG2% H 1 0.873 0.02 A 89 ILE CA C 13 61.984 0.2 A 89 ILE CB C 13 39.850 0.2 A 89 ILE CD1 C 13 13.068 0.2 A 89 ILE CG1 C 13 26.860 0.2 A 89 ILE CG2 C 13 17.552 0.2 A 90 LYS H H 1 7.387 0.02 A 90 LYS HA H 1 4.508 0.02 A 90 LYS HBy H 1 1.628 0.02 A 90 LYS HBx H 1 1.571 0.02 A 90 LYS HDx H 1 1.621 0.02 A 90 LYS HDy H 1 1.621 0.02 A 90 LYS HEx H 1 2.939 0.02 A 90 LYS HEy H 1 2.939 0.02 A 90 LYS HGx H 1 1.291 0.02 A 90 LYS HGy H 1 1.291 0.02 A 90 LYS C C 13 174.665 0.2 A 90 LYS CA C 13 54.111 0.2 A 90 LYS CB C 13 35.086 0.2 A 90 LYS CD C 13 28.901 0.2 A 90 LYS CE C 13 42.028 0.2 A 90 LYS CG C 13 24.568 0.2 A 91 ASN H H 1 8.803 0.02 A 91 ASN HA H 1 4.279 0.02 A 91 ASN HBx H 1 2.114 0.02 A 91 ASN HBy H 1 2.676 0.02 A 91 ASN HD2x H 1 6.714 0.02 A 91 ASN HD2y H 1 8.197 0.02 A 91 ASN CB C 13 38.879 0.2 A 91 ASN N N 15 120.903 0.2 A 91 ASN ND2 N 15 119.347 0.2 A 92 PRO HA H 1 4.206 0.02 A 92 PRO HBy H 1 1.698 0.02 A 92 PRO HBx H 1 1.162 0.02 A 92 PRO HDy H 1 3.014 0.02 A 92 PRO HDx H 1 1.778 0.02 A 92 PRO HGy H 1 0.803 0.02 A 92 PRO HGx H 1 0.236 0.02 A 92 PRO C C 13 174.751 0.2 A 92 PRO CA C 13 63.927 0.2 A 92 PRO CB C 13 30.969 0.2 A 92 PRO CD C 13 49.517 0.2 A 92 PRO CG C 13 25.923 0.2 A 93 THR H H 1 7.441 0.02 A 93 THR HA H 1 4.093 0.02 A 93 THR HB H 1 4.336 0.02 A 93 THR HG1 H 1 4.218 0.02 A 93 THR HG2% H 1 0.423 0.02 A 93 THR C C 13 175.922 0.2 A 93 THR CA C 13 62.221 0.2 A 93 THR CB C 13 69.463 0.2 A 93 THR CG2 C 13 19.613 0.2 A 93 THR N N 15 105.991 0.2 A 94 TYR H H 1 7.139 0.02 A 94 TYR HA H 1 4.393 0.02 A 94 TYR HBx H 1 2.905 0.02 A 94 TYR HBy H 1 3.114 0.02 A 94 TYR HD1 H 1 7.042 0.02 A 94 TYR HD2 H 1 7.042 0.02 A 94 TYR HE1 H 1 6.843 0.02 A 94 TYR HE2 H 1 6.843 0.02 A 94 TYR C C 13 176.180 0.2 A 94 TYR CA C 13 58.272 0.2 A 94 TYR CB C 13 37.490 0.2 A 94 TYR CD1 C 13 132.036 0.2 A 94 TYR CE1 C 13 118.630 0.2 A 94 TYR N N 15 124.098 0.2 A 95 LYS H H 1 8.904 0.02 A 95 LYS HA H 1 3.758 0.02 A 95 LYS HBx H 1 1.595 0.02 A 95 LYS HBy H 1 1.871 0.02 A 95 LYS HDx H 1 1.508 0.02 A 95 LYS HDy H 1 1.508 0.02 A 95 LYS HEx H 1 2.913 0.02 A 95 LYS HEy H 1 2.913 0.02 A 95 LYS HGy H 1 0.913 0.02 A 95 LYS HGx H 1 0.849 0.02 A 95 LYS C C 13 175.547 0.2 A 95 LYS CA C 13 57.078 0.2 A 95 LYS CB C 13 29.962 0.2 A 95 LYS CD C 13 28.925 0.2 A 95 LYS CE C 13 41.953 0.2 A 95 LYS CG C 13 25.084 0.2 A 95 LYS N N 15 121.317 0.2 A 96 ALA H H 1 7.583 0.02 A 96 ALA HA H 1 4.157 0.02 A 96 ALA HB% H 1 1.381 0.02 A 96 ALA C C 13 177.630 0.2 A 96 ALA CA C 13 53.298 0.2 A 96 ALA CB C 13 18.807 0.2 A 96 ALA N N 15 121.832 0.2 A 97 GLU H H 1 9.243 0.02 A 97 GLU HA H 1 4.347 0.02 A 97 GLU HBx H 1 1.821 0.02 A 97 GLU HBy H 1 1.821 0.02 A 97 GLU HGy H 1 2.259 0.02 A 97 GLU HGx H 1 2.177 0.02 A 97 GLU C C 13 175.890 0.2 A 97 GLU CA C 13 55.198 0.2 A 97 GLU CB C 13 30.931 0.2 A 97 GLU CG C 13 36.090 0.2 A 97 GLU N N 15 121.989 0.2 A 98 LEU H H 1 8.401 0.02 A 98 LEU HA H 1 4.277 0.02 A 98 LEU HBx H 1 1.177 0.02 A 98 LEU HBy H 1 1.779 0.02 A 98 LEU HD1% H 1 0.751 0.02 A 98 LEU HD2% H 1 0.596 0.02 A 98 LEU HG H 1 1.550 0.02 A 98 LEU C C 13 175.738 0.2 A 98 LEU CA C 13 54.337 0.2 A 98 LEU CB C 13 41.634 0.2 A 98 LEU CD1 C 13 25.112 0.2 A 98 LEU CD2 C 13 23.383 0.2 A 98 LEU CG C 13 27.166 0.2 A 98 LEU N N 15 123.414 0.2 A 99 HIS H H 1 8.749 0.02 A 99 HIS HA H 1 4.706 0.02 A 99 HIS HBx H 1 3.037 0.02 A 99 HIS HBy H 1 3.037 0.02 A 99 HIS HD2 H 1 7.103 0.02 A 99 HIS HE1 H 1 8.143 0.02 A 99 HIS C C 13 173.912 0.2 A 99 HIS CA C 13 55.183 0.2 A 99 HIS CB C 13 29.916 0.2 A 99 HIS CD2 C 13 119.702 0.2 A 99 HIS CE1 C 13 137.143 0.2 A 99 HIS N N 15 121.129 0.2 A 99 HIS ND1 N 15 197.011 0.2 A 99 HIS NE2 N 15 176.537 0.2 A 100 ALA H H 1 8.369 0.02 A 100 ALA HA H 1 4.518 0.02 A 100 ALA HB% H 1 1.360 0.02 A 100 ALA C C 13 177.533 0.2 A 100 ALA CA C 13 51.753 0.2 A 100 ALA CB C 13 20.081 0.2 A 100 ALA N N 15 125.646 0.2 A 101 SER H H 1 8.357 0.2 A 101 SER HA H 1 4.452 0.2 A 101 SER HBx H 1 3.847 0.2 A 101 SER HBy H 1 3.847 0.2 A 101 SER C C 13 174.729 0.2 A 101 SER CA C 13 58.781 0.2 A 101 SER CB C 13 63.865 0.2 A 101 SER N N 15 115.505 0.2 A 102 VAL H H 1 7.884 0.02 A 102 VAL HA H 1 4.111 0.02 A 102 VAL HB H 1 1.982 0.02 A 102 VAL HG1% H 1 0.868 0.02 A 102 VAL HG2% H 1 0.832 0.02 A 102 VAL C C 13 175.837 0.2 A 102 VAL CA C 13 62.237 0.2 A 102 VAL CB C 13 32.336 0.2 A 102 VAL CG1 C 13 20.987 0.2 A 102 VAL CG2 C 13 20.297 0.2 A 102 VAL N N 15 120.880 0.2 A 103 LEU H H 1 8.170 0.02 A 103 LEU HA H 1 4.299 0.02 A 103 LEU HBx H 1 1.472 0.02 A 103 LEU HBy H 1 1.552 0.02 A 103 LEU HDx% H 1 0.845 0.02 A 103 LEU HDy% H 1 0.794 0.02 A 103 LEU HG H 1 1.546 0.02 A 103 LEU C C 13 177.129 0.2 A 103 LEU CA C 13 54.999 0.2 A 103 LEU CB C 13 42.276 0.2 A 103 LEU CD1 C 13 24.800 0.2 A 103 LEU CD2 C 13 23.310 0.2 A 103 LEU CG C 13 26.853 0.2 A 103 LEU N N 15 124.757 0.2 A 104 GLU H H 1 8.244 0.02 A 104 GLU HA H 1 4.175 0.02 A 104 GLU HBx H 1 1.877 0.02 A 104 GLU HBy H 1 1.877 0.02 A 104 GLU HGx H 1 2.151 0.02 A 104 GLU HGy H 1 2.151 0.02 A 104 GLU C C 13 176.153 0.2 A 104 GLU CA C 13 56.413 0.2 A 104 GLU CB C 13 30.270 0.2 A 104 GLU CG C 13 36.079 0.2 A 104 GLU N N 15 121.146 0.2 A 105 HIS H H 1 8.242 0.02 A 105 HIS HBx H 1 2.985 0.02 A 105 HIS HBy H 1 2.985 0.02 A 105 HIS C C 13 174.967 0.2 A 105 HIS CA C 13 56.137 0.2 A 105 HIS CB C 13 30.290 0.2 A 105 HIS N N 15 119.785 0.2 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 2 ILE HG2% A 3 THR H 1.0 . 5.80 2 2 A 3 THR H A 2 ILE HD1% 1.0 . 6.00 3 3 A 3 THR H A 43 LEU HD2% 1.0 . 5.32 4 4 A 4 PHE H A 44 LEU HA 1.0 . 5.66 5 5 A 4 PHE H A 43 LEU HA 1.0 . 4.51 6 6 A 5 ALA H A 35 ILE HG2% 1.0 . 5.16 7 7 A 5 ALA H A 5 ALA HB% 1.0 . 3.63 8 8 A 5 ALA H A 4 PHE HBx 1.0 . 4.87 9 9 A 5 ALA H A 4 PHE HBy 1.0 . 4.87 10 10 A 4 PHE H A 5 ALA H 1.0 . 4.58 11 11 A 5 ALA HB% A 6 ASP H 1.0 . 3.93 12 12 A 6 ASP H A 3 THR HG1 1.0 . 5.32 13 13 A 6 ASP H A 7 TYR H 1.0 . 4.10 14 14 A 5 ALA H A 6 ASP H 1.0 . 4.38 15 15 A 6 ASP H A 8 PHE H 1.0 . 5.59 16 16 A 2 ILE HG2% A 7 TYR H 1.0 . 5.03 17 17 A 2 ILE HD1% A 7 TYR H 1.0 . 5.24 18 18 A 7 TYR H A 2 ILE HG1x 1.0 . 5.13 19 19 A 7 TYR H A 2 ILE HG1y 1.0 . 5.13 20 20 A 7 TYR H A 6 ASP HBx 1.0 . 4.72 21 21 A 7 TYR H A 6 ASP HBy 1.0 . 4.72 22 22 A 7 TYR H A 7 TYR HBx 1.0 . 3.60 23 22 A 7 TYR H A 7 TYR HBy 1.0 . 3.60 24 23 A 7 TYR H A 4 PHE HA 1.0 . 4.88 25 24 A 7 TYR H A 7 TYR HD% 1.0 . 5.09 26 25 A 7 TYR H A 8 PHE H 1.0 . 4.13 27 26 A 8 PHE H A 8 PHE HB2 1.0 . 4.00 28 27 A 8 PHE H A 7 TYR HBx 1.0 . 4.03 29 27 A 8 PHE H A 7 TYR HBy 1.0 . 4.03 30 28 A 8 PHE H A 8 PHE HB3 1.0 . 4.07 31 29 A 8 PHE H A 4 PHE HA 1.0 . 5.79 32 30 A 8 PHE H A 6 ASP HA 1.0 . 6.00 33 31 A 8 PHE H A 4 PHE HE% 1.0 . 6.00 34 32 A 8 PHE H A 7 TYR HE% 1.0 . 6.00 35 33 A 8 PHE H A 8 PHE HD% 1.0 . 5.13 36 34 A 8 PHE H A 32 TYR HD% 1.0 . 5.94 37 35 A 9 TYR H A 35 ILE HD1% 1.0 . 5.90 38 36 A 9 TYR H A 9 TYR HBx 1.0 . 3.58 39 36 A 9 TYR H A 9 TYR HBy 1.0 . 3.58 40 37 A 8 PHE HB3 A 9 TYR H 1.0 . 4.38 41 38 A 7 TYR HD% A 9 TYR H 1.0 . 6.00 42 39 A 8 PHE H A 9 TYR H 1.0 . 4.35 43 40 A 10 GLN H A 10 GLN HBx 1.0 . 3.51 44 40 A 10 GLN H A 10 GLN HBy 1.0 . 3.51 45 41 A 10 GLN H A 10 GLN HGy 1.0 . 4.89 46 42 A 10 GLN H A 9 TYR HBx 1.0 . 4.07 47 42 A 9 TYR HBy A 10 GLN H 1.0 . 4.07 48 43 A 10 GLN H A 7 TYR HBx 1.0 . 6.00 49 43 A 7 TYR HBy A 10 GLN H 1.0 . 6.00 50 44 A 9 TYR H A 10 GLN H 1.0 . 3.91 51 45 A 10 GLN H A 11 TRP H 1.0 . 4.09 52 46 A 7 TYR HA A 10 GLN HE2y 1.0 . 5.96 53 47 A 7 TYR HA A 10 GLN HE2x 1.0 . 5.96 54 48 A 11 TRP H A 10 GLN HBx 1.0 . 4.15 55 48 A 10 GLN HBy A 11 TRP H 1.0 . 4.15 56 49 A 11 TRP H A 11 TRP HBx 1.0 . 4.01 57 50 A 11 TRP H A 11 TRP HBy 1.0 . 4.01 58 51 A 11 TRP H A 14 VAL H 1.0 . 5.87 59 52 A 11 TRP H A 12 TYR H 1.0 . 4.14 60 53 A 12 TYR H A 13 GLU HBx 1.0 . 5.46 61 53 A 12 TYR H A 13 GLU HBy 1.0 . 5.46 62 54 A 12 TYR H A 12 TYR HB2 1.0 . 4.03 63 55 A 12 TYR H A 12 TYR HB3 1.0 . 4.03 64 56 A 12 TYR H A 9 TYR HA 1.0 . 5.11 65 57 A 12 TYR H A 13 GLU H 1.0 . 4.38 66 58 A 13 GLU H A 13 GLU HBx 1.0 . 4.14 67 58 A 13 GLU HBy A 13 GLU H 1.0 . 4.14 68 59 A 12 TYR HB3 A 13 GLU H 1.0 . 5.37 69 60 A 13 GLU H A 10 GLN HA 1.0 . 5.59 70 61 A 14 VAL H A 13 GLU HBx 1.0 . 4.04 71 61 A 14 VAL H A 13 GLU HBy 1.0 . 4.04 72 62 A 14 VAL H A 14 VAL HB 1.0 . 3.79 73 63 A 14 VAL H A 10 GLN HA 1.0 . 5.73 74 64 A 14 VAL H A 15 ASN H 1.0 . 3.90 75 65 A 14 VAL H A 13 GLU H 1.0 . 4.68 76 66 A 14 VAL HB A 15 ASN H 1.0 . 4.35 77 67 A 14 VAL HB A 15 ASN HD2x 1.0 . 5.36 78 68 A 12 TYR HA A 16 LYS H 1.0 . 5.27 79 69 A 16 LYS H A 18 PRO HD2 1.0 . 5.89 80 70 A 17 LEU H A 17 LEU HB2 1.0 . 4.08 81 71 A 17 LEU H A 17 LEU HD2% 1.0 . 5.13 82 72 A 17 LEU H A 17 LEU HD1% 1.0 . 4.99 83 73 A 17 LEU H A 17 LEU HG 1.0 . 5.59 84 74 A 17 LEU H A 17 LEU HB3 1.0 . 4.17 85 75 A 18 PRO HD2 A 17 LEU H 1.0 . 4.85 86 76 A 17 LEU H A 18 PRO HD3 1.0 . 4.55 87 77 A 17 LEU H A 12 TYR HD% 1.0 . 6.00 88 78 A 19 HIS H A 20 VAL HG2% 1.0 . 4.69 89 79 A 19 HIS H A 20 VAL HG1% 1.0 . 4.95 90 80 A 18 PRO HD2 A 19 HIS H 1.0 . 4.85 91 81 A 19 HIS H A 17 LEU HA 1.0 . 5.96 92 82 A 19 HIS H A 16 LYS HA 1.0 . 5.69 93 83 A 19 HIS H A 19 HIS HD2 1.0 . 5.19 94 84 A 19 HIS H A 20 VAL H 1.0 . 3.60 95 85 A 20 VAL HG1% A 21 SER H 1.0 . 4.54 96 86 A 21 SER H A 24 THR HG2% 1.0 . 4.96 97 87 A 21 SER H A 20 VAL HB 1.0 . 3.99 98 88 A 21 SER H A 24 THR HB 1.0 . 4.70 99 89 A 21 SER H A 20 VAL HA 1.0 . 3.52 100 90 A 22 GLU H A 22 GLU HBx 1.0 . 4.08 101 90 A 22 GLU H A 22 GLU HBy 1.0 . 4.08 102 91 A 22 GLU H A 22 GLU HGx 1.0 . 4.47 103 91 A 22 GLU H A 22 GLU HGy 1.0 . 4.47 104 92 A 23 SER H A 22 GLU HBx 1.0 . 4.73 105 92 A 22 GLU HBy A 23 SER H 1.0 . 4.73 106 93 A 20 VAL HG2% A 24 THR H 1.0 . 5.99 107 94 A 24 THR HG2% A 24 THR H 1.0 . 4.70 108 95 A 24 THR H A 22 GLU HBx 1.0 . 5.73 109 95 A 22 GLU HBy A 24 THR H 1.0 . 5.73 110 96 A 20 VAL HB A 24 THR H 1.0 . 5.23 111 97 A 24 THR H A 23 SER HBx 1.0 . 4.30 112 97 A 24 THR H A 23 SER HBy 1.0 . 4.30 113 98 A 24 THR HB A 24 THR H 1.0 . 3.79 114 99 A 23 SER H A 24 THR H 1.0 . 5.17 115 100 A 24 THR H A 25 LYS H 1.0 . 4.01 116 101 A 20 VAL HG2% A 25 LYS H 1.0 . 4.73 117 102 A 40 ARG HB2 A 41 HIS H 1.0 . 4.61 118 103 A 20 VAL HB A 25 LYS H 1.0 . 6.00 119 104 A 25 LYS H A 22 GLU HGx 1.0 . 6.00 120 104 A 22 GLU HGy A 25 LYS H 1.0 . 6.00 121 105 A 25 LYS H A 22 GLU HA 1.0 . 4.96 122 106 A 24 THR HB A 25 LYS H 1.0 . 4.57 123 107 A 25 LYS H A 26 ARG H 1.0 . 4.47 124 108 A 26 ARG H A 26 ARG HGx 1.0 . 4.22 125 108 A 26 ARG H A 26 ARG HGy 1.0 . 4.22 126 109 A 26 ARG H A 26 ARG HBx 1.0 . 3.98 127 109 A 26 ARG H A 26 ARG HBy 1.0 . 3.98 128 110 A 26 ARG H A 22 GLU HGx 1.0 . 6.00 129 110 A 22 GLU HGy A 26 ARG H 1.0 . 6.00 130 111 A 27 HIS H A 26 ARG HGx 1.0 . 4.98 131 111 A 26 ARG HGy A 27 HIS H 1.0 . 4.98 132 112 A 27 HIS H A 26 ARG HBx 1.0 . 4.25 133 112 A 26 ARG HBy A 27 HIS H 1.0 . 4.25 134 113 A 27 HIS H A 24 THR HA 1.0 . 4.57 135 114 A 26 ARG H A 27 HIS H 1.0 . 4.23 136 115 A 27 HIS H A 28 TYR H 1.0 . 4.00 137 116 A 25 LYS H A 27 HIS H 1.0 . 5.93 138 117 A 27 HIS H A 29 GLU H 1.0 . 6.00 139 118 A 24 THR HG2% A 28 TYR H 1.0 . 5.13 140 119 A 28 TYR H A 29 GLU HBx 1.0 . 5.84 141 119 A 28 TYR H A 29 GLU HBy 1.0 . 5.84 142 120 A 28 TYR H A 27 HIS HBx 1.0 . 4.90 143 121 A 28 TYR H A 27 HIS HBy 1.0 . 4.90 144 122 A 28 TYR H A 29 GLU H 1.0 . 4.12 145 123 A 29 GLU H A 26 ARG HBx 1.0 . 6.00 146 123 A 26 ARG HBy A 29 GLU H 1.0 . 6.00 147 124 A 29 GLU H A 29 GLU HBx 1.0 . 3.92 148 124 A 29 GLU H A 29 GLU HBy 1.0 . 3.92 149 125 A 29 GLU H A 29 GLU HG2 1.0 . 4.19 150 126 A 29 GLU H A 29 GLU HG3 1.0 . 3.92 151 127 A 29 GLU H A 28 TYR HD% 1.0 . 5.74 152 128 A 30 SER H A 31 ALA HB% 1.0 . 5.59 153 129 A 30 SER H A 29 GLU HBx 1.0 . 4.15 154 129 A 29 GLU HBy A 30 SER H 1.0 . 4.15 155 130 A 29 GLU HG2 A 30 SER H 1.0 . 5.26 156 131 A 29 GLU HG3 A 30 SER H 1.0 . 5.51 157 132 A 29 GLU H A 30 SER H 1.0 . 4.04 158 133 A 31 ALA HB% A 31 ALA H 1.0 . 3.49 159 134 A 31 ALA H A 32 TYR HBx 1.0 . 5.92 160 135 A 31 ALA H A 32 TYR HBy 1.0 . 5.92 161 136 A 31 ALA H A 30 SER HBx 1.0 . 4.20 162 137 A 31 ALA HB% A 32 TYR H 1.0 . 3.85 163 138 A 32 TYR H A 33 LYS HBx 1.0 . 5.90 164 138 A 32 TYR H A 33 LYS HBy 1.0 . 5.90 165 139 A 32 TYR H A 32 TYR HBx 1.0 . 3.92 166 140 A 32 TYR H A 32 TYR HBy 1.0 . 3.92 167 141 A 8 PHE HD% A 32 TYR H 1.0 . 5.29 168 142 A 32 TYR HD% A 32 TYR H 1.0 . 4.27 169 143 A 31 ALA H A 32 TYR H 1.0 . 4.03 170 144 A 31 ALA HB% A 33 LYS H 1.0 . 5.67 171 145 A 33 LYS H A 33 LYS HDx 1.0 . 5.88 172 145 A 33 LYS H A 33 LYS HDy 1.0 . 5.88 173 146 A 33 LYS H A 33 LYS HBx 1.0 . 3.44 174 146 A 33 LYS HBy A 33 LYS H 1.0 . 3.44 175 147 A 33 LYS H A 34 HIS H 1.0 . 4.03 176 148 A 30 SER H A 33 LYS H 1.0 . 5.81 177 149 A 31 ALA H A 33 LYS H 1.0 . 6.00 178 150 A 32 TYR H A 33 LYS H 1.0 . 4.17 179 151 A 34 HIS H A 33 LYS HGx 1.0 . 5.70 180 152 A 34 HIS H A 33 LYS HDx 1.0 . 5.09 181 152 A 33 LYS HDy A 34 HIS H 1.0 . 5.09 182 153 A 34 HIS H A 33 LYS HGy 1.0 . 5.70 183 154 A 34 HIS H A 33 LYS HBx 1.0 . 3.96 184 154 A 33 LYS HBy A 34 HIS H 1.0 . 3.96 185 155 A 34 HIS H A 34 HIS HBx 1.0 . 3.80 186 155 A 34 HIS H A 34 HIS HBy 1.0 . 3.80 187 156 A 34 HIS H A 31 ALA HA 1.0 . 4.83 188 157 A 34 HIS H A 35 ILE H 1.0 . 4.02 189 158 A 34 HIS H A 36 LYS H 1.0 . 5.13 190 159 A 35 ILE HG2% A 35 ILE H 1.0 . 4.74 191 160 A 35 ILE H A 35 ILE HG1x 1.0 . 4.77 192 161 A 35 ILE H A 35 ILE HB 1.0 . 3.64 193 162 A 35 ILE H A 34 HIS HBx 1.0 . 4.59 194 162 A 34 HIS HBy A 35 ILE H 1.0 . 4.59 195 163 A 31 ALA HA A 35 ILE H 1.0 . 5.67 196 164 A 35 ILE H A 55 PHE HZ 1.0 . 5.93 197 165 A 35 ILE H A 55 PHE HE% 1.0 . 5.83 198 166 A 33 LYS H A 35 ILE H 1.0 . 5.89 199 167 A 35 ILE HG2% A 36 LYS H 1.0 . 4.69 200 168 A 36 LYS H A 36 LYS HBx 1.0 . 3.86 201 169 A 5 ALA HB% A 36 LYS H 1.0 . 4.47 202 170 A 36 LYS H A 36 LYS HBy 1.0 . 3.86 203 171 A 36 LYS H A 35 ILE HB 1.0 . 4.07 204 172 A 36 LYS H A 33 LYS HA 1.0 . 4.96 205 173 A 36 LYS H A 37 ASP H 1.0 . 4.09 206 174 A 37 ASP H A 36 LYS HBx 1.0 . 4.40 207 175 A 37 ASP H A 36 LYS HGy 1.0 . 5.15 208 176 A 37 ASP H A 36 LYS HGx 1.0 . 5.15 209 177 A 37 ASP H A 36 LYS HBy 1.0 . 4.40 210 178 A 37 ASP H A 37 ASP HBx 1.0 . 4.03 211 179 A 37 ASP H A 37 ASP HBy 1.0 . 4.03 212 180 A 37 ASP H A 34 HIS HBx 1.0 . 6.00 213 180 A 34 HIS HBy A 37 ASP H 1.0 . 6.00 214 181 A 33 LYS HA A 37 ASP H 1.0 . 5.65 215 182 A 37 ASP H A 35 ILE HA 1.0 . 5.99 216 183 A 37 ASP H A 34 HIS HA 1.0 . 4.76 217 184 A 37 ASP H A 39 PHE H 1.0 . 5.48 218 185 A 38 HIS H A 38 HIS HBx 1.0 . 4.05 219 186 A 38 HIS H A 38 HIS HBy 1.0 . 4.05 220 187 A 35 ILE HA A 38 HIS H 1.0 . 5.39 221 188 A 34 HIS HA A 38 HIS H 1.0 . 5.04 222 189 A 38 HIS H A 39 PHE HE% 1.0 . 6.00 223 190 A 38 HIS H A 39 PHE HD% 1.0 . 5.76 224 191 A 37 ASP H A 38 HIS H 1.0 . 4.02 225 192 A 39 PHE H A 38 HIS H 1.0 . 3.97 226 193 A 39 PHE H A 38 HIS HBx 1.0 . 4.54 227 194 A 39 PHE H A 38 HIS HBy 1.0 . 4.54 228 195 A 35 ILE HA A 39 PHE H 1.0 . 5.35 229 196 A 39 PHE H A 36 LYS HA 1.0 . 5.62 230 197 A 39 PHE H A 40 ARG HA 1.0 . 5.37 231 198 A 39 PHE H A 4 PHE HD% 1.0 . 6.00 232 199 A 39 PHE H A 39 PHE HE% 1.0 . 6.00 233 200 A 40 ARG H A 40 ARG HGx 1.0 . 4.68 234 201 A 40 ARG H A 39 PHE HBx 1.0 . 5.52 235 202 A 40 ARG H A 40 ARG HDx 1.0 . 6.00 236 203 A 38 HIS H A 40 ARG H 1.0 . 5.72 237 204 A 41 HIS H A 40 ARG H 1.0 . 5.76 238 205 A 39 PHE H A 40 ARG H 1.0 . 4.11 239 206 A 3 THR HG2% A 42 LYS H 1.0 . 5.95 240 207 A 42 LYS H A 42 LYS HG3 1.0 . 4.66 241 208 A 42 LYS H A 42 LYS HBx 1.0 . 3.67 242 209 A 42 LYS H A 42 LYS HBy 1.0 . 3.67 243 210 A 39 PHE HD% A 42 LYS H 1.0 . 5.59 244 211 A 41 HIS H A 42 LYS H 1.0 . 4.17 245 212 A 42 LYS H A 43 LEU H 1.0 . 4.97 246 213 A 43 LEU H A 43 LEU HD1% 1.0 . 4.47 247 214 A 3 THR HG2% A 43 LEU H 1.0 . 5.68 248 215 A 42 LYS HG3 A 43 LEU H 1.0 . 4.43 249 216 A 43 LEU H A 43 LEU HG 1.0 . 3.60 250 217 A 43 LEU H A 42 LYS HBx 1.0 . 4.87 251 218 A 43 LEU H A 42 LYS HG2 1.0 . 4.86 252 219 A 43 LEU H A 42 LYS HBy 1.0 . 4.87 253 220 A 43 LEU H A 46 ASP HBx 1.0 . 5.46 254 221 A 43 LEU H A 42 LYS HA 1.0 . 3.37 255 222 A 43 LEU H A 3 THR HA 1.0 . 5.78 256 223 A 43 LEU H A 44 LEU H 1.0 . 6.00 257 224 A 97 GLU H A 98 LEU H 1.0 . 6.00 258 225 A 46 ASP H A 47 ILE HD1% 1.0 . 5.53 259 226 A 43 LEU HD2% A 46 ASP H 1.0 . 6.00 260 227 A 46 ASP H A 45 LYS HGx 1.0 . 5.08 261 228 A 46 ASP H A 45 LYS HGy 1.0 . 5.08 262 229 A 46 ASP H A 43 LEU HBx 1.0 . 4.96 263 230 A 46 ASP H A 43 LEU HBy 1.0 . 4.96 264 231 A 46 ASP H A 47 ILE H 1.0 . 3.89 265 232 A 44 LEU H A 46 ASP H 1.0 . 4.86 266 233 A 43 LEU H A 46 ASP H 1.0 . 5.77 267 234 A 47 ILE HD1% A 47 ILE H 1.0 . 4.31 268 235 A 47 ILE H A 47 ILE HG1x 1.0 . 4.68 269 236 A 47 ILE H A 47 ILE HB 1.0 . 4.17 270 237 A 47 ILE H A 47 ILE HG1y 1.0 . 4.68 271 238 A 47 ILE H A 46 ASP HBx 1.0 . 5.84 272 239 A 44 LEU HA A 47 ILE H 1.0 . 5.54 273 240 A 47 ILE H A 48 LYS H 1.0 . 5.52 274 241 A 48 LYS H A 48 LYS HGy 1.0 . 4.92 275 242 A 48 LYS H A 48 LYS HGx 1.0 . 4.92 276 243 A 48 LYS H A 48 LYS HDx 1.0 . 5.29 277 243 A 48 LYS H A 48 LYS HDy 1.0 . 5.29 278 244 A 48 LYS H A 47 ILE HA 1.0 . 3.57 279 245 A 48 LYS H A 39 PHE HZ 1.0 . 6.00 280 246 A 50 THR H A 49 ARG HBx 1.0 . 6.00 281 246 A 49 ARG HBy A 50 THR H 1.0 . 6.00 282 247 A 50 THR H A 51 GLU H 1.0 . 5.74 283 248 A 51 GLU H A 47 ILE HG2% 1.0 . 5.78 284 249 A 51 GLU H A 48 LYS HBx 1.0 . 5.00 285 250 A 51 GLU H A 54 LYS HBx 1.0 . 6.00 286 250 A 51 GLU H A 54 LYS HBy 1.0 . 6.00 287 251 A 51 GLU H A 48 LYS HBy 1.0 . 5.00 288 252 A 51 GLU H A 51 GLU HGx 1.0 . 4.69 289 253 A 51 GLU H A 51 GLU HGy 1.0 . 4.69 290 254 A 48 LYS H A 51 GLU H 1.0 . 5.57 291 255 A 51 GLU H A 49 ARG H 1.0 . 6.00 292 256 A 51 GLU H A 53 GLN H 1.0 . 6.00 293 257 A 47 ILE HG2% A 52 TYR H 1.0 . 4.91 294 258 A 52 TYR H A 52 TYR HBx 1.0 . 4.07 295 259 A 52 TYR H A 52 TYR HBy 1.0 . 4.07 296 260 A 39 PHE HZ A 52 TYR H 1.0 . 5.40 297 261 A 51 GLU H A 52 TYR H 1.0 . 4.11 298 262 A 53 GLN H A 54 LYS HBx 1.0 . 5.45 299 262 A 54 LYS HBy A 53 GLN H 1.0 . 5.45 300 263 A 53 GLN H A 53 GLN HBx 1.0 . 3.99 301 264 A 53 GLN H A 53 GLN HBy 1.0 . 3.99 302 265 A 53 GLN H A 52 TYR HBx 1.0 . 4.93 303 266 A 53 GLN H A 52 TYR HBy 1.0 . 4.93 304 267 A 53 GLN H A 50 THR HB 1.0 . 6.00 305 268 A 53 GLN H A 51 GLU HA 1.0 . 6.00 306 269 A 53 GLN H A 55 PHE H 1.0 . 5.58 307 270 A 53 GLN H A 52 TYR H 1.0 . 4.11 308 271 A 53 GLN HE2x A 97 GLU HBx 1.0 . 5.68 309 271 A 53 GLN HE2x A 97 GLU HBy 1.0 . 5.68 310 272 A 54 LYS H A 54 LYS HGy 1.0 . 4.81 311 273 A 54 LYS H A 54 LYS HDx 1.0 . 5.04 312 273 A 54 LYS H A 54 LYS HDy 1.0 . 5.04 313 274 A 54 LYS H A 54 LYS HBx 1.0 . 3.43 314 274 A 54 LYS HBy A 54 LYS H 1.0 . 3.43 315 275 A 54 LYS H A 53 GLN HBx 1.0 . 4.65 316 276 A 54 LYS H A 53 GLN HBy 1.0 . 4.65 317 277 A 54 LYS H A 56 LEU H 1.0 . 5.21 318 278 A 52 TYR H A 54 LYS H 1.0 . 5.53 319 279 A 53 GLN H A 54 LYS H 1.0 . 4.21 320 280 A 55 PHE H A 54 LYS HBx 1.0 . 4.06 321 280 A 54 LYS HBy A 55 PHE H 1.0 . 4.06 322 281 A 55 PHE H A 55 PHE HB2 1.0 . 4.09 323 282 A 55 PHE H A 55 PHE HB3 1.0 . 3.84 324 283 A 51 GLU HA A 55 PHE H 1.0 . 5.49 325 284 A 39 PHE HZ A 55 PHE H 1.0 . 5.11 326 285 A 55 PHE H A 54 LYS H 1.0 . 3.76 327 286 A 52 TYR H A 55 PHE H 1.0 . 5.83 328 287 A 56 LEU H A 56 LEU HD2% 1.0 . 4.66 329 288 A 56 LEU H A 56 LEU HD1% 1.0 . 4.77 330 289 A 56 LEU H A 56 LEU HG 1.0 . 4.10 331 290 A 56 LEU H A 55 PHE HB2 1.0 . 5.04 332 291 A 56 LEU H A 55 PHE HB3 1.0 . 4.11 333 292 A 56 LEU H A 53 GLN HA 1.0 . 5.01 334 293 A 55 PHE H A 56 LEU H 1.0 . 4.10 335 294 A 56 LEU H A 59 TYR H 1.0 . 5.82 336 295 A 56 LEU HD2% A 57 ASN H 1.0 . 5.82 337 296 A 56 LEU HG A 57 ASN H 1.0 . 5.92 338 297 A 57 ASN H A 56 LEU HBx 1.0 . 4.84 339 298 A 57 ASN H A 56 LEU HBy 1.0 . 4.84 340 299 A 57 ASN H A 55 PHE HA 1.0 . 6.00 341 300 A 57 ASN H A 54 LYS HA 1.0 . 4.62 342 301 A 56 LEU H A 57 ASN H 1.0 . 4.08 343 302 A 57 ASN H A 60 GLY H 1.0 . 5.59 344 303 A 57 ASN HD2y A 53 GLN HGx 1.0 . 5.84 345 304 A 57 ASN HD2y A 53 GLN HGy 1.0 . 5.84 346 305 A 57 ASN HD2x A 53 GLN HGx 1.0 . 5.84 347 306 A 57 ASN HD2x A 53 GLN HGy 1.0 . 5.84 348 307 A 54 LYS HA A 57 ASN HD2x 1.0 . 5.24 349 308 A 58 GLU H A 58 GLU HBx 1.0 . 3.38 350 308 A 58 GLU H A 58 GLU HBy 1.0 . 3.38 351 309 A 58 GLU H A 58 GLU HGx 1.0 . 4.71 352 310 A 58 GLU H A 58 GLU HGy 1.0 . 4.71 353 311 A 58 GLU H A 57 ASN HBx 1.0 . 4.64 354 312 A 58 GLU H A 57 ASN HBy 1.0 . 4.64 355 313 A 57 ASN H A 58 GLU H 1.0 . 4.02 356 314 A 59 TYR H A 58 GLU H 1.0 . 3.99 357 315 A 60 GLY H A 58 GLU H 1.0 . 5.21 358 316 A 59 TYR H A 68 ILE HD1% 1.0 . 5.72 359 317 A 59 TYR H A 58 GLU HBx 1.0 . 3.86 360 317 A 59 TYR H A 58 GLU HBy 1.0 . 3.86 361 318 A 59 TYR H A 59 TYR HBx 1.0 . 3.99 362 319 A 59 TYR H A 59 TYR HBy 1.0 . 3.99 363 320 A 59 TYR H A 56 LEU HA 1.0 . 4.86 364 321 A 59 TYR H A 60 GLY H 1.0 . 4.27 365 322 A 60 GLY H A 68 ILE HD1% 1.0 . 4.81 366 323 A 60 GLY H A 58 GLU HBx 1.0 . 5.99 367 323 A 60 GLY H A 58 GLU HBy 1.0 . 5.99 368 324 A 60 GLY H A 61 LEU HG 1.0 . 6.00 369 325 A 60 GLY H A 59 TYR HBx 1.0 . 4.99 370 326 A 60 GLY H A 59 TYR HBy 1.0 . 4.99 371 327 A 61 LEU H A 102 VAL HG2% 1.0 . 4.85 372 328 A 61 LEU H A 61 LEU HD1% 1.0 . 4.26 373 329 A 61 LEU H A 62 THR HG2% 1.0 . 4.90 374 330 A 61 LEU H A 61 LEU HBx 1.0 . 4.16 375 331 A 61 LEU H A 61 LEU HBy 1.0 . 4.16 376 332 A 61 LEU HG A 61 LEU H 1.0 . 3.51 377 333 A 61 LEU H A 59 TYR HA 1.0 . 5.30 378 334 A 61 LEU H A 58 GLU HA 1.0 . 4.56 379 335 A 61 LEU H A 62 THR H 1.0 . 3.91 380 336 A 59 TYR H A 61 LEU H 1.0 . 5.51 381 337 A 60 GLY H A 61 LEU H 1.0 . 4.36 382 338 A 62 THR HG2% A 62 THR H 1.0 . 4.20 383 339 A 62 THR H A 61 LEU HBx 1.0 . 4.93 384 340 A 62 THR H A 61 LEU HBy 1.0 . 4.93 385 341 A 61 LEU HG A 62 THR H 1.0 . 5.13 386 342 A 59 TYR HA A 62 THR H 1.0 . 5.45 387 343 A 102 VAL HG2% A 63 HIS H 1.0 . 4.87 388 344 A 62 THR HG2% A 63 HIS H 1.0 . 4.89 389 345 A 63 HIS H A 67 THR HG2% 1.0 . 6.00 390 346 A 63 HIS H A 100 ALA HB% 1.0 . 6.00 391 347 A 63 HIS H A 62 THR HB 1.0 . 5.58 392 348 A 61 LEU H A 63 HIS H 1.0 . 4.86 393 349 A 64 SER H A 102 VAL HG1% 1.0 . 6.00 394 350 A 102 VAL HG2% A 64 SER H 1.0 . 6.00 395 351 A 67 THR HG2% A 64 SER H 1.0 . 5.35 396 352 A 64 SER H A 63 HIS HBx 1.0 . 4.92 397 353 A 64 SER H A 63 HIS HBy 1.0 . 4.92 398 354 A 64 SER H A 67 THR HB 1.0 . 4.82 399 355 A 65 TYR H A 68 ILE HG2% 1.0 . 5.94 400 356 A 66 GLU H A 66 GLU HBx 1.0 . 4.03 401 357 A 66 GLU H A 66 GLU HBy 1.0 . 4.03 402 358 A 66 GLU H A 66 GLU HG2 1.0 . 4.91 403 359 A 66 GLU H A 66 GLU HG3 1.0 . 4.68 404 360 A 66 GLU H A 65 TYR HBx 1.0 . 4.70 405 361 A 66 GLU H A 65 TYR HBy 1.0 . 4.70 406 362 A 68 ILE HG2% A 67 THR H 1.0 . 5.61 407 363 A 67 THR HG2% A 67 THR H 1.0 . 4.61 408 364 A 67 THR H A 66 GLU HBx 1.0 . 4.69 409 365 A 67 THR H A 66 GLU HBy 1.0 . 4.69 410 366 A 66 GLU HG2 A 67 THR H 1.0 . 5.93 411 367 A 67 THR H A 68 ILE H 1.0 . 3.97 412 368 A 66 GLU H A 67 THR H 1.0 . 4.22 413 369 A 68 ILE HG2% A 68 ILE H 1.0 . 3.90 414 370 A 67 THR HG2% A 68 ILE H 1.0 . 4.66 415 371 A 68 ILE H A 68 ILE HG13 1.0 . 4.71 416 372 A 68 ILE H A 68 ILE HB 1.0 . 3.89 417 373 A 68 ILE H A 65 TYR HA 1.0 . 5.06 418 374 A 69 ARG H A 69 ARG HBx 1.0 . 3.80 419 375 A 69 ARG H A 69 ARG HGy 1.0 . 4.78 420 376 A 69 ARG H A 69 ARG HBy 1.0 . 3.80 421 377 A 68 ILE HG2% A 70 LYS H 1.0 . 5.77 422 378 A 70 LYS H A 70 LYS HGx 1.0 . 4.80 423 379 A 70 LYS H A 69 ARG HBx 1.0 . 4.27 424 380 A 70 LYS H A 70 LYS HBx 1.0 . 4.09 425 381 A 70 LYS H A 69 ARG HBy 1.0 . 4.27 426 382 A 70 LYS H A 70 LYS HBy 1.0 . 4.09 427 383 A 66 GLU HG2 A 70 LYS H 1.0 . 6.00 428 384 A 70 LYS H A 66 GLU HA 1.0 . 5.01 429 385 A 70 LYS H A 67 THR HA 1.0 . 5.24 430 386 A 69 ARG H A 70 LYS H 1.0 . 4.09 431 387 A 71 LEU H A 71 LEU HD2% 1.0 . 5.34 432 388 A 71 LEU H A 71 LEU HD1% 1.0 . 5.10 433 389 A 71 LEU H A 71 LEU HBx 1.0 . 3.83 434 390 A 71 LEU H A 71 LEU HBy 1.0 . 3.83 435 391 A 67 THR HA A 71 LEU H 1.0 . 5.49 436 392 A 71 LEU H A 72 ASN H 1.0 . 4.35 437 393 A 71 LEU HD2% A 72 ASN H 1.0 . 5.24 438 394 A 56 LEU HD2% A 72 ASN H 1.0 . 5.83 439 395 A 72 ASN H A 98 LEU HD2% 1.0 . 5.33 440 396 A 71 LEU HD1% A 72 ASN H 1.0 . 5.46 441 397 A 72 ASN H A 68 ILE HG12 1.0 . 5.82 442 398 A 72 ASN H A 71 LEU HG 1.0 . 5.17 443 399 A 72 ASN H A 72 ASN HBx 1.0 . 4.10 444 400 A 72 ASN H A 72 ASN HBy 1.0 . 4.10 445 401 A 72 ASN H A 68 ILE HA 1.0 . 4.81 446 402 A 72 ASN H A 69 ARG HA 1.0 . 5.13 447 403 A 55 PHE HE% A 72 ASN H 1.0 . 6.00 448 404 A 72 ASN H A 72 ASN HD2x 1.0 . 6.00 449 405 A 72 ASN H A 74 TYR H 1.0 . 6.00 450 406 A 98 LEU HD2% A 73 SER H 1.0 . 6.00 451 407 A 73 SER H A 70 LYS HA 1.0 . 4.48 452 408 A 73 SER H A 73 SER HBx 1.0 . 3.56 453 408 A 73 SER H A 73 SER HBy 1.0 . 3.56 454 409 A 74 TYR H A 73 SER H 1.0 . 3.87 455 410 A 72 ASN H A 73 SER H 1.0 . 4.00 456 411 A 74 TYR H A 75 ILE HB 1.0 . 5.67 457 412 A 74 TYR H A 73 SER HBx 1.0 . 4.59 458 412 A 74 TYR H A 73 SER HBy 1.0 . 4.59 459 413 A 74 TYR H A 75 ILE H 1.0 . 4.33 460 414 A 75 ILE H A 75 ILE HG1x 1.0 . 4.73 461 415 A 75 ILE HB A 75 ILE H 1.0 . 3.87 462 416 A 75 ILE H A 75 ILE HG1y 1.0 . 4.73 463 417 A 74 TYR H A 70 LYS HA 1.0 . 4.91 464 418 A 74 TYR H A 71 LEU HA 1.0 . 5.09 465 419 A 75 ILE H A 74 TYR HBx 1.0 . 4.35 466 419 A 75 ILE H A 74 TYR HBy 1.0 . 4.35 467 420 A 8 PHE HD% A 75 ILE H 1.0 . 6.00 468 421 A 75 ILE H A 79 PHE HD% 1.0 . 6.00 469 422 A 75 ILE H A 8 PHE HE% 1.0 . 5.69 470 423 A 75 ILE H A 76 ARG H 1.0 . 4.62 471 424 A 76 ARG H A 93 THR HG2% 1.0 . 5.46 472 425 A 76 ARG H A 75 ILE HG2% 1.0 . 5.48 473 426 A 75 ILE HB A 76 ARG H 1.0 . 4.83 474 427 A 76 ARG H A 73 SER HA 1.0 . 4.84 475 428 A 77 ASN H A 77 ASN HBx 1.0 . 4.19 476 429 A 77 ASN H A 77 ASN HBy 1.0 . 4.19 477 430 A 73 SER HA A 77 ASN H 1.0 . 5.64 478 431 A 76 ARG H A 77 ASN H 1.0 . 4.36 479 432 A 26 ARG H A 26 ARG HDx 1.0 . 5.71 480 432 A 26 ARG H A 26 ARG HDy 1.0 . 5.71 481 433 A 78 ALA H A 78 ALA HB% 1.0 . 3.57 482 434 A 78 ALA H A 77 ASN HBx 1.0 . 4.54 483 435 A 78 ALA H A 77 ASN HBy 1.0 . 4.54 484 436 A 78 ALA H A 75 ILE HA 1.0 . 4.74 485 437 A 78 ALA H A 76 ARG HA 1.0 . 5.84 486 438 A 78 ALA H A 80 ASP H 1.0 . 4.95 487 439 A 78 ALA H A 79 PHE H 1.0 . 4.40 488 440 A 80 ASP H A 81 ASP H 1.0 . 4.30 489 441 A 80 ASP H A 79 PHE H 1.0 . 4.26 490 442 A 79 PHE HA A 82 ALA H 1.0 . 5.93 491 443 A 82 ALA HB% A 83 ILE H 1.0 . 5.45 492 444 A 83 ILE H A 83 ILE HB 1.0 . 4.19 493 445 A 83 ILE H A 84 HIS H 1.0 . 5.07 494 446 A 85 GLU H A 85 GLU HGx 1.0 . 4.75 495 447 A 86 GLY H A 87 TYR HBx 1.0 . 6.00 496 447 A 86 GLY H A 87 TYR HBy 1.0 . 6.00 497 448 A 86 GLY H A 84 HIS HA 1.0 . 5.22 498 449 A 86 GLY H A 87 TYR HA 1.0 . 5.87 499 450 A 86 GLY H A 87 TYR HD% 1.0 . 6.00 500 451 A 85 GLU H A 86 GLY H 1.0 . 3.92 501 452 A 86 GLY H A 87 TYR H 1.0 . 4.00 502 453 A 87 TYR HD% A 87 TYR H 1.0 . 4.95 503 454 A 93 THR HG2% A 93 THR H 1.0 . 4.37 504 455 A 93 THR H A 93 THR HG1 1.0 . 5.10 505 456 A 93 THR H A 49 ARG HA 1.0 . 5.63 506 457 A 93 THR H A 94 TYR H 1.0 . 4.67 507 458 A 93 THR HG1 A 94 TYR H 1.0 . 6.00 508 459 A 93 THR HB A 96 ALA H 1.0 . 5.75 509 460 A 96 ALA H A 95 LYS H 1.0 . 5.31 510 461 A 97 GLU H A 96 ALA H 1.0 . 5.57 511 462 A 97 GLU H A 56 LEU HD1% 1.0 . 5.82 512 463 A 98 LEU H A 98 LEU HD2% 1.0 . 5.27 513 464 A 98 LEU H A 98 LEU HG 1.0 . 4.10 514 465 A 98 LEU H A 97 GLU HBx 1.0 . 4.80 515 465 A 98 LEU H A 97 GLU HBy 1.0 . 4.80 516 466 A 98 LEU H A 99 HIS H 1.0 . 5.56 517 467 A 102 VAL HG2% A 100 ALA H 1.0 . 6.00 518 468 A 100 ALA H A 99 HIS HBx 1.0 . 4.79 519 468 A 100 ALA H A 99 HIS HBy 1.0 . 4.79 520 469 A 99 HIS H A 100 ALA H 1.0 . 5.42 521 470 A 61 LEU HD2% A 101 SER H 1.0 . 5.72 522 471 A 102 VAL HG2% A 101 SER H 1.0 . 6.00 523 472 A 100 ALA HB% A 101 SER H 1.0 . 4.28 524 473 A 101 SER H A 101 SER HBx 1.0 . 3.89 525 473 A 101 SER H A 101 SER HBy 1.0 . 3.89 526 474 A 101 SER H A 61 LEU HA 1.0 . 5.27 527 475 A 102 VAL HG2% A 102 VAL H 1.0 . 3.70 528 476 A 100 ALA HB% A 102 VAL H 1.0 . 5.08 529 477 A 102 VAL H A 102 VAL HB 1.0 . 3.90 530 478 A 102 VAL H A 101 SER HBx 1.0 . 4.49 531 478 A 101 SER HBy A 102 VAL H 1.0 . 4.49 532 479 A 102 VAL H A 103 LEU H 1.0 . 4.15 533 480 A 101 SER H A 102 VAL H 1.0 . 4.14 534 481 A 102 VAL HG1% A 103 LEU H 1.0 . 4.37 535 482 A 103 LEU H A 103 LEU HG 1.0 . 4.29 536 483 A 102 VAL HB A 103 LEU H 1.0 . 4.83 537 484 A 103 LEU H A 101 SER HA 1.0 . 5.56 538 485 A 104 GLU H A 103 LEU HBx 1.0 . 4.91 539 486 A 103 LEU HG A 104 GLU H 1.0 . 5.59 540 487 A 104 GLU H A 104 GLU HBx 1.0 . 3.71 541 487 A 104 GLU H A 104 GLU HBy 1.0 . 3.71 542 488 A 104 GLU H A 104 GLU HGx 1.0 . 4.65 543 488 A 104 GLU H A 104 GLU HGy 1.0 . 4.65 544 489 A 72 ASN H A 72 ASN HD2y 1.0 . 6.00 545 490 A 6 ASP H A 7 TYR HBx 1.0 . 5.30 546 490 A 6 ASP H A 7 TYR HBy 1.0 . 5.30 547 491 A 9 TYR H A 10 GLN HBx 1.0 . 5.83 548 491 A 9 TYR H A 10 GLN HBy 1.0 . 5.83 549 492 A 9 TYR H A 7 TYR HBx 1.0 . 5.78 550 492 A 7 TYR HBy A 9 TYR H 1.0 . 5.78 551 493 A 7 TYR H A 9 TYR H 1.0 . 5.71 552 494 A 9 TYR H A 11 TRP H 1.0 . 6.00 553 495 A 10 GLN H A 13 GLU HBx 1.0 . 5.87 554 495 A 10 GLN H A 13 GLU HBy 1.0 . 5.87 555 496 A 8 PHE H A 10 GLN H 1.0 . 6.00 556 497 A 7 TYR HE% A 11 TRP H 1.0 . 6.00 557 498 A 11 TRP H A 9 TYR HD% 1.0 . 6.00 558 499 A 11 TRP H A 11 TRP HE3 1.0 . 5.90 559 500 A 16 LYS H A 17 LEU HB3 1.0 . 6.00 560 501 A 17 LEU H A 19 HIS H 1.0 . 4.39 561 502 A 17 LEU H A 20 VAL H 1.0 . 5.64 562 503 A 20 VAL H A 21 SER H 1.0 . 6.00 563 504 A 22 GLU H A 23 SER H 1.0 . 5.92 564 505 A 24 THR HG2% A 25 LYS H 1.0 . 4.65 565 506 A 24 THR HG2% A 27 HIS H 1.0 . 5.79 566 507 A 24 THR HB A 27 HIS H 1.0 . 5.87 567 508 A 24 THR HA A 28 TYR H 1.0 . 5.84 568 509 A 28 TYR H A 26 ARG HA 1.0 . 6.00 569 510 A 28 TYR H A 27 HIS HD2 1.0 . 6.00 570 511 A 28 TYR H A 31 ALA H 1.0 . 5.77 571 512 A 29 GLU H A 27 HIS HA 1.0 . 5.69 572 513 A 30 SER H A 33 LYS HBx 1.0 . 5.79 573 513 A 30 SER H A 33 LYS HBy 1.0 . 5.79 574 514 A 28 TYR H A 30 SER H 1.0 . 5.24 575 515 A 31 ALA H A 29 GLU HBx 1.0 . 5.98 576 515 A 29 GLU HBy A 31 ALA H 1.0 . 5.98 577 516 A 32 TYR H A 30 SER HA 1.0 . 5.68 578 517 A 2 ILE HG2% A 44 LEU H 1.0 . 5.32 579 518 A 4 PHE H A 44 LEU H 1.0 . 4.73 580 519 A 47 ILE H A 45 LYS HA 1.0 . 5.28 581 520 A 52 TYR H A 49 ARG HA 1.0 . 4.57 582 521 A 53 GLN H A 49 ARG HA 1.0 . 5.30 583 522 A 39 PHE HE% A 55 PHE H 1.0 . 5.36 584 523 A 64 SER H A 67 THR H 1.0 . 5.90 585 524 A 73 SER H A 74 TYR HD% 1.0 . 5.95 586 525 A 76 ARG HA A 79 PHE H 1.0 . 5.50 587 526 A 76 ARG HA A 80 ASP H 1.0 . 5.69 588 527 A 91 ASN HD2y A 79 PHE HBy 1.0 . 5.97 589 528 A 76 ARG HA A 91 ASN HD2y 1.0 . 5.94 590 529 A 91 ASN HD2y A 79 PHE HBx 1.0 . 5.97 591 530 A 42 LYS H A 47 ILE HD1% 1.0 . 5.83 592 531 A 82 ALA H A 83 ILE H 1.0 . 4.82 593 532 A 68 ILE HG2% A 100 ALA H 1.0 . 6.00 594 533 A 58 GLU H A 61 LEU HD1% 1.0 . 5.55 595 534 A 20 VAL H A 18 PRO HA 1.0 . 5.93 596 535 A 90 LYS H A 91 ASN H 1.0 . 5.88 597 536 A 43 LEU HD1% A 1 MET HA 1.0 . 5.20 598 537 A 1 MET HA A 1 MET HE% 1.0 . 4.83 599 538 A 43 LEU HD1% A 1 MET HBy 1.0 . 4.48 600 539 A 43 LEU HD2% A 1 MET HGx 1.0 . 4.78 601 539 A 43 LEU HD2% A 1 MET HGy 1.0 . 4.78 602 540 A 43 LEU HD1% A 1 MET HGx 1.0 . 4.64 603 540 A 43 LEU HD1% A 1 MET HGy 1.0 . 4.64 604 541 A 1 MET HE% A 1 MET HGx 1.0 . 4.46 605 541 A 1 MET HE% A 1 MET HGy 1.0 . 4.46 606 542 A 43 LEU HD2% A 1 MET HE% 1.0 . 4.76 607 543 A 43 LEU HD1% A 1 MET HE% 1.0 . 4.39 608 544 A 1 MET HE% A 45 LYS HEx 1.0 . 5.62 609 545 A 1 MET HE% A 45 LYS HEy 1.0 . 5.62 610 546 A 3 THR H A 2 ILE HB 1.0 . 5.77 611 547 A 2 ILE HG2% A 44 LEU HDy% 1.0 . 5.25 612 548 A 2 ILE HG2% A 7 TYR HBx 1.0 . 4.42 613 548 A 2 ILE HG2% A 7 TYR HBy 1.0 . 4.42 614 549 A 2 ILE HD1% A 7 TYR HBx 1.0 . 4.81 615 549 A 2 ILE HD1% A 7 TYR HBy 1.0 . 4.81 616 550 A 2 ILE HD1% A 7 TYR HA 1.0 . 4.48 617 551 A 43 LEU HD2% A 3 THR HG2% 1.0 . 3.52 618 552 A 3 THR HG2% A 6 ASP HBy 1.0 . 5.93 619 553 A 3 THR HG2% A 41 HIS HBy 1.0 . 4.90 620 554 A 43 LEU HA A 3 THR HG2% 1.0 . 4.47 621 555 A 3 THR HG2% A 3 THR HA 1.0 . 3.73 622 556 A 6 ASP H A 3 THR HG2% 1.0 . 5.40 623 557 A 3 THR HG2% A 44 LEU H 1.0 . 5.68 624 558 A 4 PHE H A 3 THR HG2% 1.0 . 4.88 625 559 A 3 THR H A 3 THR HG2% 1.0 . 3.76 626 560 A 44 LEU HA A 4 PHE HBx 1.0 . 5.22 627 561 A 8 PHE HB2 A 5 ALA HA 1.0 . 6.00 628 562 A 35 ILE HG2% A 5 ALA HB% 1.0 . 3.90 629 563 A 5 ALA HB% A 9 TYR HBx 1.0 . 6.00 630 563 A 5 ALA HB% A 9 TYR HBy 1.0 . 6.00 631 564 A 5 ALA HB% A 6 ASP HA 1.0 . 5.26 632 565 A 5 ALA HB% A 7 TYR H 1.0 . 5.49 633 566 A 2 ILE HD1% A 6 ASP HBx 1.0 . 5.56 634 567 A 3 THR HG2% A 6 ASP HBx 1.0 . 5.93 635 568 A 6 ASP HBx A 2 ILE HG1x 1.0 . 5.87 636 569 A 2 ILE HG1y A 6 ASP HBx 1.0 . 5.87 637 570 A 3 THR H A 6 ASP HBx 1.0 . 5.36 638 571 A 2 ILE HG2% A 7 TYR HA 1.0 . 4.68 639 572 A 7 TYR HA A 10 GLN HBx 1.0 . 4.72 640 572 A 10 GLN HBy A 7 TYR HA 1.0 . 4.72 641 573 A 10 GLN H A 7 TYR HA 1.0 . 5.15 642 574 A 4 PHE HA A 7 TYR HBx 1.0 . 5.52 643 574 A 7 TYR HBy A 4 PHE HA 1.0 . 5.52 644 575 A 8 PHE HA A 11 TRP HBx 1.0 . 5.01 645 576 A 12 TYR HB2 A 9 TYR HA 1.0 . 5.21 646 577 A 8 PHE HA A 11 TRP HBy 1.0 . 5.01 647 578 A 11 TRP H A 8 PHE HA 1.0 . 5.44 648 579 A 8 PHE HB3 A 5 ALA HA 1.0 . 5.02 649 580 A 8 PHE HB2 A 9 TYR H 1.0 . 5.62 650 581 A 12 TYR HB3 A 9 TYR HA 1.0 . 4.62 651 582 A 32 TYR HD% A 9 TYR HA 1.0 . 5.26 652 583 A 6 ASP HA A 9 TYR HBx 1.0 . 4.76 653 583 A 6 ASP HA A 9 TYR HBy 1.0 . 4.76 654 584 A 8 PHE HD% A 9 TYR HBx 1.0 . 5.61 655 584 A 8 PHE HD% A 9 TYR HBy 1.0 . 5.61 656 585 A 10 GLN HA A 13 GLU HBx 1.0 . 3.98 657 585 A 13 GLU HBy A 10 GLN HA 1.0 . 3.98 658 586 A 2 ILE HD1% A 10 GLN HBx 1.0 . 6.00 659 586 A 2 ILE HD1% A 10 GLN HBy 1.0 . 6.00 660 587 A 14 VAL HG2% A 10 GLN HBx 1.0 . 6.00 661 587 A 10 GLN HBy A 14 VAL HG2% 1.0 . 6.00 662 588 A 14 VAL HG2% A 10 GLN HGy 1.0 . 4.76 663 589 A 11 TRP H A 10 GLN HGy 1.0 . 5.87 664 590 A 10 GLN H A 10 GLN HGx 1.0 . 4.89 665 591 A 14 VAL HB A 11 TRP HA 1.0 . 5.23 666 592 A 11 TRP HA A 10 GLN HBx 1.0 . 5.88 667 592 A 10 GLN HBy A 11 TRP HA 1.0 . 5.88 668 593 A 15 ASN H A 11 TRP HA 1.0 . 5.35 669 594 A 14 VAL H A 11 TRP HA 1.0 . 5.42 670 595 A 12 TYR HA A 16 LYS HGx 1.0 . 6.00 671 596 A 12 TYR HA A 16 LYS HGy 1.0 . 6.00 672 597 A 15 ASN H A 12 TYR HA 1.0 . 5.03 673 598 A 12 TYR HB3 A 9 TYR HE% 1.0 . 6.00 674 599 A 12 TYR HB3 A 11 TRP HZ3 1.0 . 6.00 675 600 A 12 TYR HB2 A 13 GLU H 1.0 . 5.75 676 601 A 17 LEU HB2 A 13 GLU HA 1.0 . 4.65 677 602 A 17 LEU HG A 13 GLU HA 1.0 . 5.96 678 603 A 17 LEU HB3 A 13 GLU HA 1.0 . 5.12 679 604 A 15 ASN H A 13 GLU HA 1.0 . 5.31 680 605 A 17 LEU HD2% A 13 GLU HBx 1.0 . 5.26 681 605 A 13 GLU HBy A 17 LEU HD2% 1.0 . 5.26 682 606 A 10 GLN HA A 13 GLU HGy 1.0 . 6.00 683 607 A 13 GLU H A 13 GLU HGy 1.0 . 5.36 684 608 A 10 GLN HA A 13 GLU HGx 1.0 . 6.00 685 609 A 13 GLU H A 13 GLU HGx 1.0 . 5.36 686 610 A 14 VAL HA A 15 ASN HA 1.0 . 5.74 687 611 A 14 VAL HB A 15 ASN HD2y 1.0 . 5.36 688 612 A 14 VAL HA A 14 VAL HG1% 1.0 . 3.61 689 613 A 11 TRP HA A 14 VAL HG1% 1.0 . 5.07 690 614 A 15 ASN HD2x A 14 VAL HG1% 1.0 . 5.17 691 615 A 15 ASN H A 14 VAL HG1% 1.0 . 4.91 692 616 A 15 ASN HD2y A 14 VAL HG1% 1.0 . 5.17 693 617 A 14 VAL H A 14 VAL HG1% 1.0 . 4.38 694 618 A 14 VAL HG2% A 13 GLU HBx 1.0 . 3.83 695 618 A 13 GLU HBy A 14 VAL HG2% 1.0 . 3.83 696 619 A 14 VAL HG2% A 10 GLN HGx 1.0 . 4.76 697 620 A 14 VAL HG2% A 14 VAL HA 1.0 . 3.39 698 621 A 14 VAL HG2% A 11 TRP HA 1.0 . 4.91 699 622 A 10 GLN HA A 14 VAL HG2% 1.0 . 4.77 700 623 A 15 ASN H A 14 VAL HG2% 1.0 . 4.26 701 624 A 14 VAL H A 14 VAL HG2% 1.0 . 3.54 702 625 A 90 LYS HEx A 90 LYS HGx 1.0 . 3.95 703 625 A 90 LYS HEy A 90 LYS HGx 1.0 . 3.95 704 625 A 90 LYS HGy A 90 LYS HEx 1.0 . 3.95 705 625 A 90 LYS HGy A 90 LYS HEy 1.0 . 3.95 706 626 A 17 LEU HB2 A 18 PRO HD3 1.0 . 5.71 707 627 A 17 LEU HG A 18 PRO HD3 1.0 . 5.89 708 628 A 17 LEU HB2 A 17 LEU HD1% 1.0 . 3.74 709 629 A 98 LEU HD1% A 98 LEU HBx 1.0 . 3.90 710 630 A 17 LEU HD1% A 13 GLU HGx 1.0 . 4.86 711 631 A 17 LEU HD1% A 25 LYS HDx 1.0 . 4.69 712 631 A 17 LEU HD1% A 25 LYS HDy 1.0 . 4.69 713 632 A 98 LEU HD1% A 98 LEU HBy 1.0 . 3.90 714 633 A 17 LEU HD1% A 13 GLU HGy 1.0 . 4.86 715 634 A 18 PRO HD2 A 17 LEU HD1% 1.0 . 5.51 716 635 A 17 LEU HD1% A 13 GLU HA 1.0 . 4.16 717 636 A 17 LEU HD1% A 25 LYS HEy 1.0 . 4.86 718 637 A 69 ARG HA A 98 LEU HD1% 1.0 . 3.75 719 638 A 17 LEU HD1% A 17 LEU HA 1.0 . 3.97 720 639 A 66 GLU HA A 98 LEU HD1% 1.0 . 5.97 721 640 A 17 LEU HD1% A 25 LYS HA 1.0 . 6.00 722 641 A 65 TYR HA A 98 LEU HD1% 1.0 . 6.00 723 642 A 98 LEU HD1% A 73 SER HBx 1.0 . 6.00 724 642 A 73 SER HBy A 98 LEU HD1% 1.0 . 6.00 725 643 A 17 LEU HD1% A 18 PRO HA 1.0 . 6.00 726 644 A 98 LEU HD1% A 65 TYR HD% 1.0 . 5.11 727 645 A 15 ASN H A 17 LEU HD1% 1.0 . 5.87 728 646 A 69 ARG H A 98 LEU HD1% 1.0 . 5.19 729 647 A 98 LEU H A 98 LEU HD1% 1.0 . 4.76 730 648 A 17 LEU HD2% A 17 LEU HB3 1.0 . 3.80 731 649 A 17 LEU HD2% A 13 GLU HGx 1.0 . 4.60 732 650 A 17 LEU HD2% A 13 GLU HGy 1.0 . 4.60 733 651 A 17 LEU HD2% A 18 PRO HB3 1.0 . 5.79 734 652 A 18 PRO HD2 A 17 LEU HD2% 1.0 . 5.63 735 653 A 17 LEU HD2% A 13 GLU HA 1.0 . 4.13 736 654 A 17 LEU HD2% A 18 PRO HD3 1.0 . 4.81 737 655 A 17 LEU HD2% A 14 VAL HA 1.0 . 5.09 738 656 A 17 LEU HD2% A 17 LEU HA 1.0 . 5.25 739 657 A 17 LEU HD2% A 18 PRO HA 1.0 . 4.68 740 658 A 17 LEU HD2% A 12 TYR HE% 1.0 . 5.47 741 659 A 15 ASN H A 17 LEU HD2% 1.0 . 5.66 742 660 A 17 LEU HB3 A 18 PRO HA 1.0 . 5.07 743 661 A 17 LEU HB3 A 18 PRO HD3 1.0 . 4.38 744 662 A 18 PRO HD2 A 17 LEU HB3 1.0 . 5.16 745 663 A 20 VAL HG1% A 19 HIS HBy 1.0 . 5.57 746 664 A 20 VAL H A 19 HIS HBy 1.0 . 5.61 747 665 A 20 VAL H A 19 HIS HBx 1.0 . 5.61 748 666 A 20 VAL HG1% A 19 HIS HBx 1.0 . 5.57 749 667 A 20 VAL HG1% A 17 LEU HA 1.0 . 5.52 750 668 A 20 VAL HG1% A 28 TYR HE% 1.0 . 4.56 751 669 A 20 VAL HG1% A 28 TYR HD% 1.0 . 5.61 752 670 A 20 VAL HG1% A 20 VAL H 1.0 . 4.12 753 671 A 17 LEU H A 20 VAL HG1% 1.0 . 5.58 754 672 A 20 VAL HG2% A 25 LYS HGx 1.0 . 4.09 755 673 A 20 VAL HG2% A 24 THR HG2% 1.0 . 3.80 756 674 A 20 VAL HG2% A 25 LYS HGy 1.0 . 4.09 757 675 A 20 VAL HG2% A 17 LEU HA 1.0 . 4.07 758 676 A 20 VAL HG2% A 25 LYS HA 1.0 . 4.67 759 677 A 20 VAL HG2% A 24 THR HB 1.0 . 4.38 760 678 A 20 VAL HG2% A 12 TYR HE% 1.0 . 4.83 761 679 A 20 VAL HG2% A 20 VAL H 1.0 . 3.77 762 680 A 17 LEU H A 20 VAL HG2% 1.0 . 5.46 763 681 A 20 VAL HG2% A 21 SER H 1.0 . 4.47 764 682 A 22 GLU HA A 25 LYS HDx 1.0 . 4.25 765 682 A 22 GLU HA A 25 LYS HDy 1.0 . 4.25 766 683 A 22 GLU HBx A 22 GLU HGx 1.0 . 2.94 767 683 A 22 GLU HBy A 22 GLU HGx 1.0 . 2.94 768 683 A 22 GLU HGy A 22 GLU HBx 1.0 . 2.94 769 683 A 22 GLU HBy A 22 GLU HGy 1.0 . 2.94 770 684 A 23 SER HA A 26 ARG HBx 1.0 . 4.84 771 684 A 26 ARG HBy A 23 SER HA 1.0 . 4.84 772 685 A 23 SER HA A 26 ARG HGx 1.0 . 5.09 773 685 A 26 ARG HGy A 23 SER HA 1.0 . 5.09 774 686 A 20 VAL HG1% A 24 THR HG2% 1.0 . 3.72 775 687 A 24 THR HG2% A 20 VAL HB 1.0 . 3.99 776 688 A 24 THR HG2% A 24 THR HA 1.0 . 3.82 777 689 A 24 THR HG2% A 27 HIS HBy 1.0 . 5.56 778 690 A 25 LYS HA A 28 TYR HBx 1.0 . 5.43 779 691 A 25 LYS HA A 28 TYR HBy 1.0 . 5.43 780 692 A 28 TYR HD% A 25 LYS HA 1.0 . 4.97 781 693 A 28 TYR H A 25 LYS HA 1.0 . 5.43 782 694 A 26 ARG H A 25 LYS HBy 1.0 . 5.32 783 695 A 26 ARG H A 25 LYS HBx 1.0 . 5.32 784 696 A 42 LYS HG3 A 46 ASP HBy 1.0 . 5.52 785 697 A 25 LYS H A 25 LYS HDx 1.0 . 5.56 786 697 A 25 LYS H A 25 LYS HDy 1.0 . 5.56 787 698 A 17 LEU HD1% A 25 LYS HEx 1.0 . 4.86 788 699 A 23 SER HA A 26 ARG HDx 1.0 . 5.74 789 699 A 26 ARG HDy A 23 SER HA 1.0 . 5.74 790 700 A 24 THR HA A 27 HIS HBy 1.0 . 5.63 791 701 A 24 THR HG2% A 27 HIS HBx 1.0 . 5.56 792 702 A 24 THR HA A 27 HIS HBx 1.0 . 5.63 793 703 A 31 ALA HB% A 28 TYR HA 1.0 . 3.77 794 704 A 8 PHE HE% A 28 TYR HA 1.0 . 5.68 795 705 A 28 TYR HA A 8 PHE HZ 1.0 . 6.00 796 706 A 31 ALA H A 28 TYR HA 1.0 . 4.81 797 707 A 32 TYR HD% A 29 GLU HA 1.0 . 5.02 798 708 A 29 GLU HG3 A 12 TYR HE% 1.0 . 5.66 799 709 A 23 SER H A 22 GLU HGx 1.0 . 5.81 800 709 A 22 GLU HGy A 23 SER H 1.0 . 5.81 801 710 A 31 ALA HA A 34 HIS HBx 1.0 . 4.80 802 710 A 34 HIS HBy A 31 ALA HA 1.0 . 4.80 803 711 A 35 ILE HD1% A 31 ALA HB% 1.0 . 4.71 804 712 A 31 ALA HB% A 71 LEU HD2% 1.0 . 5.12 805 713 A 31 ALA HB% A 75 ILE HD1% 1.0 . 5.05 806 714 A 31 ALA HB% A 71 LEU HG 1.0 . 5.68 807 715 A 31 ALA HB% A 71 LEU HA 1.0 . 5.31 808 716 A 35 ILE H A 32 TYR HA 1.0 . 5.09 809 717 A 33 LYS H A 32 TYR HBx 1.0 . 5.74 810 718 A 33 LYS H A 32 TYR HBy 1.0 . 5.74 811 719 A 33 LYS HA A 36 LYS HBx 1.0 . 4.74 812 720 A 33 LYS HA A 36 LYS HBy 1.0 . 4.74 813 721 A 32 TYR HD% A 33 LYS HA 1.0 . 5.87 814 722 A 32 TYR HD% A 33 LYS HBx 1.0 . 5.74 815 722 A 32 TYR HD% A 33 LYS HBy 1.0 . 5.74 816 723 A 34 HIS HD2 A 33 LYS HBx 1.0 . 6.00 817 723 A 33 LYS HBy A 34 HIS HD2 1.0 . 6.00 818 724 A 31 ALA HB% A 34 HIS HBx 1.0 . 6.00 819 724 A 31 ALA HB% A 34 HIS HBy 1.0 . 6.00 820 725 A 33 LYS HBx A 34 HIS HBx 1.0 . 5.87 821 725 A 33 LYS HBy A 34 HIS HBx 1.0 . 5.87 822 725 A 34 HIS HBy A 33 LYS HBx 1.0 . 5.87 823 725 A 33 LYS HBy A 34 HIS HBy 1.0 . 5.87 824 726 A 35 ILE HD1% A 35 ILE HA 1.0 . 5.41 825 727 A 35 ILE HB A 32 TYR HA 1.0 . 4.60 826 728 A 35 ILE H A 35 ILE HG1y 1.0 . 4.77 827 729 A 11 TRP H A 13 GLU HBx 1.0 . 6.00 828 729 A 11 TRP H A 13 GLU HBy 1.0 . 6.00 829 730 A 35 ILE HG2% A 75 ILE HG2% 1.0 . 6.00 830 731 A 35 ILE HG2% A 75 ILE HD1% 1.0 . 6.00 831 732 A 35 ILE HG2% A 8 PHE HB2 1.0 . 5.75 832 733 A 35 ILE HG2% A 39 PHE HBx 1.0 . 5.41 833 734 A 35 ILE HG2% A 8 PHE HB3 1.0 . 5.47 834 735 A 35 ILE HG2% A 39 PHE HBy 1.0 . 5.41 835 736 A 35 ILE HG2% A 35 ILE HA 1.0 . 4.17 836 737 A 35 ILE HG2% A 5 ALA HA 1.0 . 3.88 837 738 A 35 ILE HG2% A 32 TYR HA 1.0 . 5.45 838 739 A 35 ILE HG2% A 8 PHE HD% 1.0 . 6.00 839 740 A 35 ILE HG2% A 55 PHE HE% 1.0 . 6.00 840 741 A 35 ILE HG2% A 32 TYR HD% 1.0 . 5.79 841 742 A 35 ILE HG2% A 40 ARG H 1.0 . 5.98 842 743 A 35 ILE HG2% A 39 PHE H 1.0 . 5.77 843 744 A 35 ILE HG2% A 35 ILE HD1% 1.0 . 3.74 844 745 A 35 ILE HD1% A 75 ILE HG1x 1.0 . 5.04 845 746 A 35 ILE HD1% A 75 ILE HD1% 1.0 . 3.97 846 747 A 35 ILE HD1% A 35 ILE HB 1.0 . 3.86 847 748 A 35 ILE HD1% A 75 ILE HG1y 1.0 . 5.04 848 749 A 8 PHE HB2 A 35 ILE HD1% 1.0 . 5.12 849 750 A 8 PHE HB3 A 35 ILE HD1% 1.0 . 5.27 850 751 A 35 ILE HD1% A 5 ALA HA 1.0 . 5.11 851 752 A 35 ILE HD1% A 75 ILE HA 1.0 . 5.82 852 753 A 35 ILE HD1% A 32 TYR HA 1.0 . 4.36 853 754 A 35 ILE HD1% A 4 PHE HD% 1.0 . 5.78 854 755 A 35 ILE HD1% A 8 PHE HE% 1.0 . 5.00 855 756 A 35 ILE HD1% A 39 PHE HD% 1.0 . 5.73 856 757 A 35 ILE HD1% A 75 ILE H 1.0 . 6.00 857 758 A 35 ILE HD1% A 35 ILE H 1.0 . 4.76 858 759 A 35 ILE HD1% A 36 LYS H 1.0 . 5.61 859 760 A 35 ILE HG2% A 36 LYS HA 1.0 . 5.45 860 761 A 5 ALA HB% A 36 LYS HA 1.0 . 3.59 861 762 A 36 LYS HA A 40 ARG H 1.0 . 5.25 862 763 A 33 LYS HA A 36 LYS HGy 1.0 . 5.56 863 764 A 91 ASN H A 90 LYS HGx 1.0 . 5.65 864 764 A 91 ASN H A 90 LYS HGy 1.0 . 5.65 865 765 A 33 LYS HA A 36 LYS HGx 1.0 . 5.56 866 766 A 33 LYS HA A 36 LYS HDy 1.0 . 6.00 867 767 A 32 TYR HE% A 36 LYS HDy 1.0 . 5.31 868 768 A 33 LYS HA A 36 LYS HDx 1.0 . 6.00 869 769 A 32 TYR HE% A 36 LYS HDx 1.0 . 5.31 870 770 A 33 LYS HA A 36 LYS HEx 1.0 . 5.33 871 771 A 33 LYS HA A 36 LYS HEy 1.0 . 5.33 872 772 A 38 HIS H A 37 ASP HBx 1.0 . 5.07 873 773 A 38 HIS H A 37 ASP HBy 1.0 . 5.07 874 774 A 36 LYS HA A 40 ARG HA 1.0 . 4.64 875 775 A 41 HIS H A 40 ARG HB3 1.0 . 5.00 876 776 A 40 ARG H A 40 ARG HGy 1.0 . 4.68 877 777 A 40 ARG HA A 40 ARG HDy 1.0 . 5.42 878 778 A 40 ARG H A 40 ARG HDy 1.0 . 6.00 879 779 A 40 ARG HA A 40 ARG HDx 1.0 . 5.42 880 780 A 66 GLU HA A 69 ARG HDy 1.0 . 5.84 881 781 A 3 THR HG2% A 41 HIS HBx 1.0 . 4.90 882 782 A 43 LEU HD2% A 42 LYS HA 1.0 . 5.22 883 783 A 42 LYS HG3 A 42 LYS HA 1.0 . 4.24 884 784 A 47 ILE HD1% A 42 LYS HBx 1.0 . 4.54 885 785 A 42 LYS HEy A 42 LYS HBx 1.0 . 4.77 886 785 A 42 LYS HBx A 42 LYS HEx 1.0 . 4.77 887 786 A 42 LYS HG2 A 47 ILE HD1% 1.0 . 4.79 888 787 A 42 LYS H A 42 LYS HG2 1.0 . 4.94 889 788 A 47 ILE HD1% A 42 LYS HDx 1.0 . 4.30 890 788 A 47 ILE HD1% A 42 LYS HDy 1.0 . 4.30 891 789 A 42 LYS HA A 42 LYS HDx 1.0 . 4.26 892 789 A 42 LYS HA A 42 LYS HDy 1.0 . 4.26 893 790 A 39 PHE HE% A 42 LYS HDx 1.0 . 5.92 894 790 A 39 PHE HE% A 42 LYS HDy 1.0 . 5.92 895 791 A 47 ILE HD1% A 42 LYS HEx 1.0 . 4.61 896 791 A 47 ILE HD1% A 42 LYS HEy 1.0 . 4.61 897 792 A 42 LYS HG3 A 42 LYS HEx 1.0 . 3.83 898 792 A 42 LYS HG3 A 42 LYS HEy 1.0 . 3.83 899 793 A 42 LYS HG2 A 42 LYS HEx 1.0 . 3.55 900 793 A 42 LYS HG2 A 42 LYS HEy 1.0 . 3.55 901 794 A 42 LYS HEy A 42 LYS HBy 1.0 . 4.77 902 794 A 42 LYS HBy A 42 LYS HEx 1.0 . 4.77 903 795 A 47 ILE HA A 42 LYS HEx 1.0 . 5.86 904 795 A 47 ILE HA A 42 LYS HEy 1.0 . 5.86 905 796 A 42 LYS HA A 42 LYS HEx 1.0 . 5.23 906 796 A 42 LYS HA A 42 LYS HEy 1.0 . 5.23 907 797 A 39 PHE HA A 42 LYS HEx 1.0 . 6.00 908 797 A 42 LYS HEy A 39 PHE HA 1.0 . 6.00 909 798 A 39 PHE HD% A 42 LYS HEx 1.0 . 5.36 910 798 A 39 PHE HD% A 42 LYS HEy 1.0 . 5.36 911 799 A 42 LYS H A 42 LYS HEx 1.0 . 5.72 912 799 A 42 LYS H A 42 LYS HEy 1.0 . 5.72 913 800 A 43 LEU H A 42 LYS HEx 1.0 . 5.96 914 800 A 43 LEU H A 42 LYS HEy 1.0 . 5.96 915 801 A 43 LEU HBy A 45 LYS HGx 1.0 . 5.36 916 802 A 45 LYS HGy A 43 LEU HBy 1.0 . 5.36 917 803 A 44 LEU H A 43 LEU HBy 1.0 . 5.62 918 804 A 43 LEU HBx A 45 LYS HGx 1.0 . 5.36 919 805 A 43 LEU HBx A 45 LYS HGy 1.0 . 5.36 920 806 A 44 LEU H A 43 LEU HBx 1.0 . 5.62 921 807 A 3 THR HG2% A 43 LEU HG 1.0 . 5.48 922 808 A 43 LEU HG A 42 LYS HA 1.0 . 4.96 923 809 A 43 LEU HD1% A 45 LYS HGy 1.0 . 4.92 924 810 A 43 LEU HD1% A 43 LEU HBx 1.0 . 3.83 925 811 A 43 LEU HD1% A 43 LEU HBy 1.0 . 3.83 926 812 A 43 LEU HD1% A 1 MET HBx 1.0 . 4.48 927 813 A 43 LEU HA A 43 LEU HD1% 1.0 . 5.40 928 814 A 43 LEU HD1% A 3 THR HA 1.0 . 5.82 929 815 A 43 LEU HD1% A 46 ASP H 1.0 . 5.62 930 816 A 43 LEU HD1% A 44 LEU H 1.0 . 5.41 931 817 A 43 LEU HD2% A 1 MET HBx 1.0 . 4.26 932 818 A 43 LEU HD2% A 1 MET HBy 1.0 . 4.26 933 819 A 43 LEU HD2% A 1 MET HA 1.0 . 4.77 934 820 A 43 LEU HD2% A 2 ILE HA 1.0 . 4.41 935 821 A 43 LEU HD2% A 44 LEU H 1.0 . 4.52 936 822 A 43 LEU HD2% A 4 PHE H 1.0 . 5.47 937 823 A 43 LEU HD2% A 43 LEU H 1.0 . 4.37 938 824 A 44 LEU HA A 47 ILE HG1y 1.0 . 5.44 939 825 A 44 LEU HA A 4 PHE HBy 1.0 . 5.22 940 826 A 44 LEU HA A 79 PHE HE% 1.0 . 6.00 941 827 A 44 LEU HA A 46 ASP H 1.0 . 5.48 942 828 A 44 LEU H A 45 LYS HA 1.0 . 5.63 943 829 A 44 LEU H A 45 LYS HGy 1.0 . 5.27 944 830 A 44 LEU H A 45 LYS HGx 1.0 . 5.27 945 831 A 45 LYS HA A 45 LYS HDy 1.0 . 5.58 946 832 A 33 LYS HBx A 33 LYS HDx 1.0 . 4.06 947 832 A 33 LYS HBy A 33 LYS HDx 1.0 . 4.06 948 832 A 33 LYS HDy A 33 LYS HBx 1.0 . 4.06 949 832 A 33 LYS HBy A 33 LYS HDy 1.0 . 4.06 950 833 A 45 LYS HA A 45 LYS HDx 1.0 . 5.58 951 834 A 43 LEU H A 46 ASP HBy 1.0 . 5.46 952 835 A 47 ILE H A 46 ASP HBy 1.0 . 5.84 953 836 A 42 LYS HG3 A 46 ASP HBx 1.0 . 5.52 954 837 A 54 LYS HA A 54 LYS HDx 1.0 . 4.81 955 837 A 54 LYS HDy A 54 LYS HA 1.0 . 4.81 956 838 A 54 LYS HA A 57 ASN HBy 1.0 . 4.67 957 839 A 79 PHE HZ A 47 ILE HG1y 1.0 . 5.69 958 840 A 44 LEU HA A 47 ILE HG1x 1.0 . 5.44 959 841 A 79 PHE HZ A 47 ILE HG1x 1.0 . 5.69 960 842 A 47 ILE HG2% A 52 TYR HBx 1.0 . 5.00 961 843 A 47 ILE HG2% A 52 TYR HBy 1.0 . 5.00 962 844 A 47 ILE HA A 47 ILE HG2% 1.0 . 3.85 963 845 A 47 ILE HG2% A 51 GLU HA 1.0 . 5.86 964 846 A 47 ILE HG2% A 49 ARG HA 1.0 . 6.00 965 847 A 47 ILE HG2% A 52 TYR HA 1.0 . 6.00 966 848 A 47 ILE HG2% A 48 LYS HA 1.0 . 5.95 967 849 A 4 PHE HE% A 47 ILE HG2% 1.0 . 5.39 968 850 A 39 PHE HE% A 47 ILE HG2% 1.0 . 4.50 969 851 A 47 ILE HG2% A 79 PHE HE% 1.0 . 4.93 970 852 A 47 ILE H A 47 ILE HG2% 1.0 . 5.22 971 853 A 39 PHE HD% A 47 ILE HG2% 1.0 . 5.57 972 854 A 48 LYS H A 47 ILE HG2% 1.0 . 4.31 973 855 A 42 LYS HG3 A 47 ILE HD1% 1.0 . 4.29 974 856 A 47 ILE HD1% A 42 LYS HBy 1.0 . 4.54 975 857 A 47 ILE HD1% A 4 PHE HBx 1.0 . 4.48 976 858 A 47 ILE HD1% A 4 PHE HBy 1.0 . 4.48 977 859 A 44 LEU HA A 47 ILE HD1% 1.0 . 4.84 978 860 A 47 ILE HD1% A 47 ILE HA 1.0 . 3.73 979 861 A 42 LYS HA A 47 ILE HD1% 1.0 . 5.52 980 862 A 47 ILE HD1% A 39 PHE HA 1.0 . 5.78 981 863 A 43 LEU HA A 47 ILE HD1% 1.0 . 6.00 982 864 A 4 PHE HA A 47 ILE HD1% 1.0 . 5.47 983 865 A 4 PHE HE% A 47 ILE HD1% 1.0 . 5.29 984 866 A 47 ILE HD1% A 48 LYS H 1.0 . 4.81 985 867 A 4 PHE H A 47 ILE HD1% 1.0 . 5.71 986 868 A 5 ALA H A 47 ILE HD1% 1.0 . 6.00 987 869 A 43 LEU H A 47 ILE HD1% 1.0 . 6.00 988 870 A 26 ARG HBx A 26 ARG HDx 1.0 . 3.95 989 870 A 26 ARG HBy A 26 ARG HDx 1.0 . 3.95 990 870 A 26 ARG HDy A 26 ARG HBx 1.0 . 3.95 991 870 A 26 ARG HBy A 26 ARG HDy 1.0 . 3.95 992 871 A 49 ARG HA A 49 ARG HDx 1.0 . 5.42 993 871 A 49 ARG HA A 49 ARG HDy 1.0 . 5.42 994 872 A 51 GLU H A 50 THR HG2% 1.0 . 5.01 995 873 A 50 THR H A 50 THR HG2% 1.0 . 4.92 996 874 A 49 ARG H A 50 THR HG2% 1.0 . 6.00 997 875 A 53 GLN H A 50 THR HG2% 1.0 . 6.00 998 876 A 48 LYS H A 51 GLU HGy 1.0 . 5.53 999 877 A 48 LYS H A 51 GLU HGx 1.0 . 5.53 1000 878 A 53 GLN HA A 56 LEU HBy 1.0 . 5.17 1001 879 A 53 GLN HA A 52 TYR HD% 1.0 . 5.55 1002 880 A 53 GLN HA A 57 ASN H 1.0 . 5.53 1003 881 A 52 TYR H A 53 GLN HA 1.0 . 5.72 1004 882 A 27 HIS H A 29 GLU HBx 1.0 . 5.89 1005 882 A 27 HIS H A 29 GLU HBy 1.0 . 5.89 1006 883 A 11 TRP H A 10 GLN HGx 1.0 . 5.87 1007 884 A 54 LYS HA A 57 ASN HD2y 1.0 . 5.24 1008 885 A 54 LYS H A 54 LYS HGx 1.0 . 4.81 1009 886 A 54 LYS HBy A 54 LYS HDx 1.0 . 3.62 1010 886 A 54 LYS HBx A 54 LYS HDx 1.0 . 3.62 1011 886 A 54 LYS HDy A 54 LYS HBx 1.0 . 3.62 1012 886 A 54 LYS HBy A 54 LYS HDy 1.0 . 3.62 1013 887 A 50 THR HG2% A 54 LYS HEx 1.0 . 4.66 1014 887 A 50 THR HG2% A 54 LYS HEy 1.0 . 4.66 1015 888 A 54 LYS HEx A 54 LYS HGx 1.0 . 4.11 1016 888 A 54 LYS HEy A 54 LYS HGx 1.0 . 4.11 1017 889 A 54 LYS HGy A 54 LYS HEx 1.0 . 4.11 1018 889 A 54 LYS HEy A 54 LYS HGy 1.0 . 4.11 1019 890 A 54 LYS HBy A 54 LYS HEx 1.0 . 4.73 1020 890 A 54 LYS HBx A 54 LYS HEx 1.0 . 4.73 1021 890 A 54 LYS HEy A 54 LYS HBx 1.0 . 4.73 1022 890 A 54 LYS HBy A 54 LYS HEy 1.0 . 4.73 1023 891 A 50 THR HA A 54 LYS HEx 1.0 . 6.00 1024 891 A 54 LYS HEy A 50 THR HA 1.0 . 6.00 1025 892 A 54 LYS HA A 54 LYS HEx 1.0 . 6.00 1026 892 A 54 LYS HA A 54 LYS HEy 1.0 . 6.00 1027 893 A 50 THR HB A 54 LYS HEx 1.0 . 5.80 1028 893 A 50 THR HB A 54 LYS HEy 1.0 . 5.80 1029 894 A 51 GLU HA A 54 LYS HEx 1.0 . 6.00 1030 894 A 51 GLU HA A 54 LYS HEy 1.0 . 6.00 1031 895 A 54 LYS H A 54 LYS HEx 1.0 . 5.38 1032 895 A 54 LYS H A 54 LYS HEy 1.0 . 5.38 1033 896 A 55 PHE HA A 58 GLU HBx 1.0 . 4.45 1034 896 A 55 PHE HA A 58 GLU HBy 1.0 . 4.45 1035 897 A 55 PHE HB2 A 38 HIS HE1 1.0 . 6.00 1036 898 A 54 LYS H A 55 PHE HB2 1.0 . 6.00 1037 899 A 55 PHE HB3 A 52 TYR HD% 1.0 . 6.00 1038 900 A 39 PHE HZ A 55 PHE HB3 1.0 . 5.43 1039 901 A 56 LEU HD1% A 56 LEU HA 1.0 . 4.64 1040 902 A 68 ILE HD1% A 56 LEU HA 1.0 . 5.15 1041 903 A 56 LEU HA A 59 TYR HBx 1.0 . 4.99 1042 904 A 56 LEU HA A 59 TYR HBy 1.0 . 4.99 1043 905 A 56 LEU HA A 55 PHE HD% 1.0 . 5.66 1044 906 A 68 ILE HD1% A 56 LEU HBx 1.0 . 4.92 1045 907 A 53 GLN HA A 56 LEU HBx 1.0 . 5.17 1046 908 A 56 LEU HD1% A 71 LEU HD2% 1.0 . 5.24 1047 909 A 56 LEU HD1% A 68 ILE HD1% 1.0 . 4.36 1048 910 A 56 LEU HD1% A 56 LEU HBx 1.0 . 4.12 1049 911 A 56 LEU HD1% A 56 LEU HBy 1.0 . 4.12 1050 912 A 55 PHE HB3 A 56 LEU HD1% 1.0 . 5.29 1051 913 A 56 LEU HD1% A 53 GLN HA 1.0 . 4.82 1052 914 A 56 LEU HD1% A 98 LEU HA 1.0 . 5.52 1053 915 A 56 LEU HD1% A 57 ASN H 1.0 . 5.82 1054 916 A 98 LEU H A 56 LEU HD1% 1.0 . 6.00 1055 917 A 56 LEU HD1% A 52 TYR HH 1.0 . 5.14 1056 918 A 56 LEU HD2% A 71 LEU HD2% 1.0 . 4.07 1057 919 A 56 LEU HD2% A 68 ILE HD1% 1.0 . 3.77 1058 920 A 56 LEU HD2% A 96 ALA HB% 1.0 . 4.41 1059 921 A 56 LEU HD2% A 68 ILE HG13 1.0 . 5.25 1060 922 A 56 LEU HD2% A 75 ILE HB 1.0 . 6.00 1061 923 A 56 LEU HD2% A 56 LEU HA 1.0 . 3.71 1062 924 A 56 LEU HD2% A 68 ILE HA 1.0 . 5.89 1063 925 A 56 LEU HD2% A 98 LEU HA 1.0 . 5.82 1064 926 A 56 LEU HD2% A 52 TYR HH 1.0 . 5.36 1065 927 A 58 GLU HA A 61 LEU HD2% 1.0 . 4.88 1066 928 A 61 LEU HD1% A 58 GLU HA 1.0 . 3.92 1067 929 A 61 LEU HD1% A 58 GLU HBx 1.0 . 5.16 1068 929 A 58 GLU HBy A 61 LEU HD1% 1.0 . 5.16 1069 930 A 20 VAL HG2% A 22 GLU HBx 1.0 . 5.98 1070 930 A 20 VAL HG2% A 22 GLU HBy 1.0 . 5.98 1071 931 A 61 LEU HD1% A 58 GLU HGx 1.0 . 5.09 1072 932 A 61 LEU HD1% A 58 GLU HGy 1.0 . 5.09 1073 933 A 29 GLU HG2 A 29 GLU HA 1.0 . 4.19 1074 934 A 59 TYR HA A 34 HIS HBx 1.0 . 6.00 1075 934 A 34 HIS HBy A 59 TYR HA 1.0 . 6.00 1076 935 A 56 LEU HA A 59 TYR HA 1.0 . 6.00 1077 936 A 61 LEU HD1% A 61 LEU HBx 1.0 . 3.80 1078 937 A 61 LEU HG A 58 GLU HA 1.0 . 4.46 1079 938 A 61 LEU HD1% A 61 LEU HBy 1.0 . 3.80 1080 939 A 61 LEU HD2% A 61 LEU HBx 1.0 . 3.78 1081 940 A 61 LEU HD2% A 61 LEU HBy 1.0 . 3.78 1082 941 A 62 THR H A 61 LEU HD2% 1.0 . 5.50 1083 942 A 61 LEU H A 61 LEU HD2% 1.0 . 4.33 1084 943 A 62 THR HG2% A 61 LEU HBx 1.0 . 4.21 1085 944 A 62 THR HG2% A 61 LEU HBy 1.0 . 4.21 1086 945 A 68 ILE HG2% A 63 HIS HBy 1.0 . 5.76 1087 946 A 68 ILE HG2% A 63 HIS HBx 1.0 . 5.76 1088 947 A 67 THR HG2% A 63 HIS HBx 1.0 . 4.63 1089 948 A 65 TYR HA A 69 ARG H 1.0 . 5.31 1090 949 A 64 SER HA A 65 TYR HBx 1.0 . 5.89 1091 950 A 64 SER HA A 65 TYR HBy 1.0 . 5.89 1092 951 A 66 GLU HA A 69 ARG HBx 1.0 . 4.24 1093 952 A 66 GLU HA A 69 ARG HBy 1.0 . 4.24 1094 953 A 66 GLU HA A 69 ARG HDx 1.0 . 5.84 1095 954 A 69 ARG H A 66 GLU HA 1.0 . 4.95 1096 955 A 66 GLU HG2 A 70 LYS HDx 1.0 . 6.00 1097 956 A 66 GLU HG2 A 70 LYS HDy 1.0 . 6.00 1098 957 A 66 GLU HG2 A 70 LYS HEx 1.0 . 5.62 1099 957 A 66 GLU HG2 A 70 LYS HEy 1.0 . 5.62 1100 958 A 67 THR HG2% A 71 LEU HD2% 1.0 . 5.89 1101 959 A 67 THR HG2% A 63 HIS HBy 1.0 . 4.63 1102 960 A 67 THR HG2% A 68 ILE HA 1.0 . 5.14 1103 961 A 67 THR HG2% A 67 THR HA 1.0 . 3.75 1104 962 A 67 THR HG2% A 59 TYR HD% 1.0 . 5.58 1105 963 A 67 THR HG2% A 69 ARG H 1.0 . 5.83 1106 964 A 68 ILE HG2% A 68 ILE HA 1.0 . 4.20 1107 965 A 68 ILE HD1% A 68 ILE HA 1.0 . 4.78 1108 966 A 68 ILE HA A 71 LEU HBx 1.0 . 4.66 1109 967 A 68 ILE HA A 71 LEU HBy 1.0 . 4.66 1110 968 A 71 LEU H A 68 ILE HA 1.0 . 4.97 1111 969 A 68 ILE HB A 98 LEU HD2% 1.0 . 5.55 1112 970 A 68 ILE HB A 65 TYR HA 1.0 . 4.65 1113 971 A 68 ILE HB A 69 ARG H 1.0 . 4.62 1114 972 A 30 SER H A 33 LYS HDx 1.0 . 5.25 1115 972 A 30 SER H A 33 LYS HDy 1.0 . 5.25 1116 973 A 56 LEU HD2% A 68 ILE HG12 1.0 . 5.69 1117 974 A 98 LEU HD2% A 68 ILE HG12 1.0 . 5.57 1118 975 A 68 ILE HG12 A 69 ARG HA 1.0 . 6.00 1119 976 A 65 TYR HA A 68 ILE HG12 1.0 . 6.00 1120 977 A 68 ILE HG12 A 59 TYR HD% 1.0 . 5.01 1121 978 A 68 ILE H A 68 ILE HG12 1.0 . 5.30 1122 979 A 68 ILE HG2% A 71 LEU HD2% 1.0 . 5.33 1123 980 A 56 LEU HD2% A 68 ILE HG2% 1.0 . 4.48 1124 981 A 68 ILE HG2% A 98 LEU HD2% 1.0 . 3.56 1125 982 A 56 LEU HA A 68 ILE HG2% 1.0 . 6.00 1126 983 A 68 ILE HG2% A 69 ARG HA 1.0 . 4.50 1127 984 A 68 ILE HG2% A 65 TYR HA 1.0 . 3.91 1128 985 A 68 ILE HG2% A 98 LEU HA 1.0 . 4.75 1129 986 A 68 ILE HG2% A 59 TYR HD% 1.0 . 4.73 1130 987 A 68 ILE HG2% A 69 ARG H 1.0 . 4.12 1131 988 A 68 ILE HD1% A 100 ALA HB% 1.0 . 4.34 1132 989 A 68 ILE HD1% A 56 LEU HBy 1.0 . 4.92 1133 990 A 68 ILE HD1% A 68 ILE HB 1.0 . 3.90 1134 991 A 68 ILE HD1% A 99 HIS HBx 1.0 . 5.58 1135 991 A 68 ILE HD1% A 99 HIS HBy 1.0 . 5.58 1136 992 A 68 ILE HD1% A 60 GLY HAx 1.0 . 4.30 1137 993 A 68 ILE HD1% A 65 TYR HA 1.0 . 4.66 1138 994 A 68 ILE HD1% A 60 GLY HAy 1.0 . 4.30 1139 995 A 68 ILE HD1% A 65 TYR HD% 1.0 . 5.20 1140 996 A 68 ILE HD1% A 68 ILE H 1.0 . 4.99 1141 997 A 68 ILE HD1% A 100 ALA H 1.0 . 5.54 1142 998 A 68 ILE HD1% A 99 HIS H 1.0 . 5.67 1143 999 A 55 PHE HE% A 55 PHE HA 1.0 . 5.73 1144 1000 A 55 PHE HA A 58 GLU H 1.0 . 4.92 1145 1001 A 69 ARG HA A 73 SER H 1.0 . 5.55 1146 1002 A 98 LEU HD1% A 69 ARG HGy 1.0 . 4.52 1147 1003 A 98 LEU HD1% A 69 ARG HGx 1.0 . 4.52 1148 1004 A 69 ARG H A 69 ARG HGx 1.0 . 4.78 1149 1005 A 69 ARG HA A 69 ARG HDx 1.0 . 5.72 1150 1006 A 69 ARG H A 69 ARG HDx 1.0 . 6.00 1151 1007 A 69 ARG HA A 69 ARG HDy 1.0 . 5.72 1152 1008 A 69 ARG H A 69 ARG HDy 1.0 . 6.00 1153 1009 A 70 LYS HA A 73 SER HBx 1.0 . 4.09 1154 1009 A 70 LYS HA A 73 SER HBy 1.0 . 4.09 1155 1010 A 69 ARG H A 70 LYS HA 1.0 . 5.65 1156 1011 A 70 LYS H A 70 LYS HGy 1.0 . 4.80 1157 1012 A 70 LYS HEy A 70 LYS HBx 1.0 . 4.60 1158 1012 A 70 LYS HBx A 70 LYS HEx 1.0 . 4.60 1159 1013 A 70 LYS HEy A 70 LYS HBy 1.0 . 4.60 1160 1013 A 70 LYS HBy A 70 LYS HEx 1.0 . 4.60 1161 1014 A 67 THR HA A 70 LYS HEx 1.0 . 5.47 1162 1014 A 67 THR HA A 70 LYS HEy 1.0 . 5.47 1163 1015 A 70 LYS H A 70 LYS HEx 1.0 . 5.89 1164 1015 A 70 LYS H A 70 LYS HEy 1.0 . 5.89 1165 1016 A 71 LEU HD2% A 71 LEU HA 1.0 . 5.93 1166 1017 A 71 LEU H A 71 LEU HG 1.0 . 5.05 1167 1018 A 35 ILE HD1% A 71 LEU HD1% 1.0 . 4.64 1168 1019 A 71 LEU HD1% A 75 ILE HD1% 1.0 . 3.90 1169 1020 A 31 ALA HB% A 71 LEU HD1% 1.0 . 3.45 1170 1021 A 71 LEU HD1% A 34 HIS HBx 1.0 . 5.44 1171 1021 A 34 HIS HBy A 71 LEU HD1% 1.0 . 5.44 1172 1022 A 71 LEU HD1% A 71 LEU HA 1.0 . 3.75 1173 1023 A 31 ALA HA A 71 LEU HD1% 1.0 . 3.93 1174 1024 A 71 LEU HD1% A 59 TYR HD% 1.0 . 6.00 1175 1025 A 71 LEU HD1% A 8 PHE HE% 1.0 . 5.91 1176 1026 A 31 ALA H A 71 LEU HD1% 1.0 . 5.76 1177 1027 A 71 LEU HD1% A 75 ILE H 1.0 . 6.00 1178 1028 A 68 ILE HD1% A 71 LEU HD2% 1.0 . 5.14 1179 1029 A 68 ILE HG13 A 71 LEU HD2% 1.0 . 4.56 1180 1030 A 71 LEU HD2% A 59 TYR HBx 1.0 . 5.77 1181 1031 A 71 LEU HD2% A 59 TYR HBy 1.0 . 5.77 1182 1032 A 71 LEU HD2% A 34 HIS HBx 1.0 . 5.98 1183 1032 A 34 HIS HBy A 71 LEU HD2% 1.0 . 5.98 1184 1033 A 56 LEU HA A 71 LEU HD2% 1.0 . 6.00 1185 1034 A 71 LEU HD2% A 68 ILE HA 1.0 . 4.90 1186 1035 A 31 ALA HA A 71 LEU HD2% 1.0 . 5.56 1187 1036 A 71 LEU HD2% A 55 PHE HD% 1.0 . 5.81 1188 1037 A 4 PHE HE% A 75 ILE HA 1.0 . 5.59 1189 1038 A 75 ILE HA A 4 PHE HZ 1.0 . 5.73 1190 1039 A 8 PHE HD% A 75 ILE HA 1.0 . 5.40 1191 1040 A 75 ILE HB A 93 THR HG2% 1.0 . 5.45 1192 1041 A 75 ILE HB A 4 PHE HZ 1.0 . 6.00 1193 1042 A 75 ILE HB A 52 TYR HE% 1.0 . 6.00 1194 1043 A 35 ILE HD1% A 75 ILE HG2% 1.0 . 5.40 1195 1044 A 93 THR HG2% A 75 ILE HG2% 1.0 . 3.81 1196 1045 A 75 ILE HG2% A 78 ALA HB% 1.0 . 4.73 1197 1046 A 75 ILE HG2% A 75 ILE HA 1.0 . 4.14 1198 1047 A 75 ILE HG2% A 76 ARG HA 1.0 . 5.95 1199 1048 A 75 ILE HG2% A 93 THR HB 1.0 . 5.85 1200 1049 A 75 ILE HG2% A 72 ASN HA 1.0 . 5.91 1201 1050 A 75 ILE H A 75 ILE HG2% 1.0 . 5.09 1202 1051 A 75 ILE HG2% A 52 TYR HH 1.0 . 5.91 1203 1052 A 71 LEU HD2% A 75 ILE HD1% 1.0 . 4.37 1204 1053 A 75 ILE HD1% A 35 ILE HG1x 1.0 . 4.96 1205 1054 A 56 LEU HD2% A 75 ILE HD1% 1.0 . 4.83 1206 1055 A 56 LEU HD1% A 75 ILE HD1% 1.0 . 5.19 1207 1056 A 75 ILE HD1% A 35 ILE HG1y 1.0 . 4.96 1208 1057 A 75 ILE HB A 75 ILE HD1% 1.0 . 4.12 1209 1058 A 35 ILE HA A 75 ILE HD1% 1.0 . 6.00 1210 1059 A 71 LEU HA A 75 ILE HD1% 1.0 . 5.36 1211 1060 A 75 ILE HA A 75 ILE HD1% 1.0 . 5.59 1212 1061 A 4 PHE HE% A 75 ILE HD1% 1.0 . 5.42 1213 1062 A 55 PHE HZ A 75 ILE HD1% 1.0 . 4.82 1214 1063 A 8 PHE HZ A 75 ILE HD1% 1.0 . 5.90 1215 1064 A 75 ILE H A 75 ILE HD1% 1.0 . 5.04 1216 1065 A 75 ILE HD1% A 52 TYR HH 1.0 . 5.96 1217 1066 A 76 ARG HA A 93 THR HG1 1.0 . 5.23 1218 1067 A 76 ARG HA A 91 ASN HD2x 1.0 . 5.94 1219 1068 A 92 PRO HA A 49 ARG HBx 1.0 . 5.01 1220 1068 A 49 ARG HBy A 92 PRO HA 1.0 . 5.01 1221 1069 A 76 ARG HA A 76 ARG HDx 1.0 . 5.44 1222 1069 A 76 ARG HA A 76 ARG HDy 1.0 . 5.44 1223 1070 A 73 SER HA A 76 ARG HDx 1.0 . 5.38 1224 1070 A 73 SER HA A 76 ARG HDy 1.0 . 5.38 1225 1071 A 72 ASN HD2x A 76 ARG HDx 1.0 . 5.67 1226 1071 A 72 ASN HD2x A 76 ARG HDy 1.0 . 5.67 1227 1072 A 72 ASN HD2y A 76 ARG HDx 1.0 . 5.67 1228 1072 A 72 ASN HD2y A 76 ARG HDy 1.0 . 5.67 1229 1073 A 77 ASN H A 76 ARG HDx 1.0 . 6.00 1230 1073 A 77 ASN H A 76 ARG HDy 1.0 . 6.00 1231 1074 A 76 ARG H A 76 ARG HDx 1.0 . 5.98 1232 1074 A 76 ARG H A 76 ARG HDy 1.0 . 5.98 1233 1075 A 40 ARG H A 39 PHE HBy 1.0 . 5.52 1234 1076 A 78 ALA HA A 81 ASP HBy 1.0 . 5.59 1235 1077 A 78 ALA HA A 11 TRP HD1 1.0 . 6.00 1236 1078 A 78 ALA HB% A 75 ILE HA 1.0 . 4.04 1237 1079 A 78 ALA HB% A 79 PHE HA 1.0 . 5.64 1238 1080 A 7 TYR HD% A 78 ALA HB% 1.0 . 4.67 1239 1081 A 78 ALA HB% A 11 TRP HZ3 1.0 . 5.14 1240 1082 A 75 ILE H A 78 ALA HB% 1.0 . 6.00 1241 1083 A 78 ALA HB% A 80 ASP H 1.0 . 6.00 1242 1084 A 78 ALA HB% A 79 PHE H 1.0 . 4.43 1243 1085 A 79 PHE HA A 82 ALA HB% 1.0 . 4.36 1244 1086 A 76 ARG HA A 79 PHE HBx 1.0 . 5.40 1245 1087 A 91 ASN HD2x A 79 PHE HBx 1.0 . 5.97 1246 1088 A 76 ARG HA A 79 PHE HBy 1.0 . 5.40 1247 1089 A 91 ASN HD2x A 79 PHE HBy 1.0 . 5.97 1248 1090 A 2 ILE HD1% A 6 ASP HBy 1.0 . 5.56 1249 1091 A 2 ILE HG1x A 6 ASP HBy 1.0 . 5.87 1250 1092 A 2 ILE HG1y A 6 ASP HBy 1.0 . 5.87 1251 1093 A 3 THR H A 6 ASP HBy 1.0 . 5.36 1252 1094 A 78 ALA HA A 81 ASP HBx 1.0 . 5.59 1253 1095 A 82 ALA HB% A 87 TYR HBx 1.0 . 4.97 1254 1095 A 82 ALA HB% A 87 TYR HBy 1.0 . 4.97 1255 1096 A 83 ILE HA A 83 ILE HD1% 1.0 . 4.55 1256 1097 A 83 ILE HB A 84 HIS H 1.0 . 4.87 1257 1098 A 83 ILE HB A 85 GLU H 1.0 . 5.43 1258 1099 A 83 ILE HA A 83 ILE HG2% 1.0 . 3.89 1259 1100 A 84 HIS HA A 83 ILE HG2% 1.0 . 4.32 1260 1101 A 84 HIS H A 83 ILE HG2% 1.0 . 5.27 1261 1102 A 81 ASP H A 83 ILE HG2% 1.0 . 6.00 1262 1103 A 85 GLU H A 83 ILE HG2% 1.0 . 6.00 1263 1104 A 83 ILE H A 83 ILE HG2% 1.0 . 4.71 1264 1105 A 83 ILE HD1% A 91 ASN HBx 1.0 . 5.41 1265 1106 A 83 ILE HD1% A 91 ASN HBy 1.0 . 5.41 1266 1107 A 83 ILE H A 83 ILE HD1% 1.0 . 5.37 1267 1108 A 85 GLU H A 85 GLU HGy 1.0 . 4.75 1268 1109 A 90 LYS H A 89 ILE HB 1.0 . 5.28 1269 1110 A 89 ILE HG2% A 90 LYS HGx 1.0 . 4.35 1270 1110 A 90 LYS HGy A 89 ILE HG2% 1.0 . 4.35 1271 1111 A 89 ILE HG2% A 89 ILE HA 1.0 . 4.20 1272 1112 A 47 ILE HG2% A 92 PRO HBy 1.0 . 5.52 1273 1113 A 47 ILE HG2% A 92 PRO HBx 1.0 . 5.52 1274 1114 A 96 ALA HB% A 93 THR HA 1.0 . 4.33 1275 1115 A 93 THR HG2% A 96 ALA HB% 1.0 . 4.77 1276 1116 A 93 THR HG2% A 76 ARG HBx 1.0 . 5.81 1277 1117 A 93 THR HG2% A 76 ARG HBy 1.0 . 5.81 1278 1118 A 93 THR HG2% A 76 ARG HA 1.0 . 4.57 1279 1119 A 93 THR HG2% A 79 PHE HE% 1.0 . 5.89 1280 1120 A 93 THR HG2% A 76 ARG HE 1.0 . 6.00 1281 1121 A 93 THR HG2% A 94 TYR H 1.0 . 6.00 1282 1122 A 93 THR HG2% A 52 TYR HH 1.0 . 6.00 1283 1123 A 50 THR HG2% A 95 LYS HGx 1.0 . 5.11 1284 1124 A 50 THR HG2% A 95 LYS HGy 1.0 . 5.11 1285 1125 A 95 LYS HA A 95 LYS HDx 1.0 . 4.86 1286 1125 A 95 LYS HA A 95 LYS HDy 1.0 . 4.86 1287 1126 A 95 LYS H A 95 LYS HDx 1.0 . 5.95 1288 1126 A 95 LYS H A 95 LYS HDy 1.0 . 5.95 1289 1127 A 96 ALA HA A 97 GLU HBx 1.0 . 5.26 1290 1127 A 97 GLU HBy A 96 ALA HA 1.0 . 5.26 1291 1128 A 56 LEU HD1% A 96 ALA HB% 1.0 . 3.56 1292 1129 A 93 THR HB A 96 ALA HB% 1.0 . 4.72 1293 1130 A 96 ALA HB% A 97 GLU HA 1.0 . 5.28 1294 1131 A 96 ALA H A 96 ALA HB% 1.0 . 3.66 1295 1132 A 97 GLU H A 96 ALA HB% 1.0 . 4.22 1296 1133 A 52 TYR HH A 96 ALA HB% 1.0 . 5.80 1297 1134 A 53 GLN HE2y A 97 GLU HBx 1.0 . 5.68 1298 1134 A 97 GLU HBy A 53 GLN HE2y 1.0 . 5.68 1299 1135 A 96 ALA HB% A 97 GLU HGy 1.0 . 6.00 1300 1136 A 98 LEU H A 97 GLU HGy 1.0 . 5.86 1301 1137 A 97 GLU H A 97 GLU HGy 1.0 . 5.24 1302 1138 A 96 ALA HB% A 97 GLU HGx 1.0 . 6.00 1303 1139 A 98 LEU H A 97 GLU HGx 1.0 . 5.86 1304 1140 A 97 GLU H A 97 GLU HGx 1.0 . 5.24 1305 1141 A 56 LEU HD2% A 98 LEU HG 1.0 . 5.20 1306 1142 A 68 ILE HG2% A 98 LEU HG 1.0 . 5.51 1307 1143 A 68 ILE HG12 A 98 LEU HG 1.0 . 5.93 1308 1144 A 98 LEU HG A 65 TYR HD% 1.0 . 6.00 1309 1145 A 68 ILE HD1% A 98 LEU HD2% 1.0 . 4.21 1310 1146 A 98 LEU HD2% A 96 ALA HB% 1.0 . 6.00 1311 1147 A 98 LEU HD2% A 72 ASN HBx 1.0 . 4.62 1312 1148 A 98 LEU HD2% A 72 ASN HBy 1.0 . 4.62 1313 1149 A 98 LEU HD2% A 69 ARG HA 1.0 . 4.19 1314 1150 A 98 LEU HD2% A 72 ASN HD2x 1.0 . 5.02 1315 1151 A 98 LEU HD2% A 72 ASN HD2y 1.0 . 5.02 1316 1152 A 69 ARG H A 98 LEU HD2% 1.0 . 5.14 1317 1153 A 98 LEU HD2% A 99 HIS H 1.0 . 5.47 1318 1154 A 98 LEU HA A 99 HIS HBx 1.0 . 5.43 1319 1154 A 99 HIS HBy A 98 LEU HA 1.0 . 5.43 1320 1155 A 100 ALA HB% A 68 ILE HG2% 1.0 . 3.77 1321 1156 A 100 ALA HB% A 65 TYR HA 1.0 . 4.01 1322 1157 A 100 ALA HB% A 100 ALA H 1.0 . 3.80 1323 1158 A 60 GLY H A 100 ALA HB% 1.0 . 6.00 1324 1159 A 100 ALA HB% A 66 GLU H 1.0 . 6.00 1325 1160 A 100 ALA HB% A 65 TYR H 1.0 . 4.92 1326 1161 A 61 LEU HD2% A 101 SER HBx 1.0 . 4.37 1327 1161 A 61 LEU HD2% A 101 SER HBy 1.0 . 4.37 1328 1162 A 61 LEU HA A 101 SER HBx 1.0 . 4.12 1329 1162 A 101 SER HBy A 61 LEU HA 1.0 . 4.12 1330 1163 A 103 LEU HG A 102 VAL HA 1.0 . 6.00 1331 1164 A 61 LEU HA A 102 VAL HB 1.0 . 5.25 1332 1165 A 102 VAL HG1% A 102 VAL HA 1.0 . 3.63 1333 1166 A 102 VAL HG1% A 103 LEU HA 1.0 . 4.78 1334 1167 A 102 VAL HG1% A 64 SER HA 1.0 . 5.49 1335 1168 A 102 VAL HG1% A 102 VAL H 1.0 . 4.56 1336 1169 A 102 VAL HG2% A 103 LEU HG 1.0 . 6.00 1337 1170 A 102 VAL HG2% A 101 SER HBx 1.0 . 5.01 1338 1170 A 102 VAL HG2% A 101 SER HBy 1.0 . 5.01 1339 1171 A 102 VAL HG2% A 102 VAL HA 1.0 . 3.70 1340 1172 A 102 VAL HG2% A 64 SER HA 1.0 . 5.98 1341 1173 A 102 VAL HG2% A 100 ALA HA 1.0 . 6.00 1342 1174 A 102 VAL HG2% A 103 LEU H 1.0 . 4.76 1343 1175 A 104 GLU H A 103 LEU HBy 1.0 . 4.91 1344 1176 A 103 LEU H A 103 LEU HDx% 1.0 . 5.51 1345 1177 A 103 LEU H A 103 LEU HDy% 1.0 . 5.51 1346 1178 A 104 GLU HA A 104 GLU HGx 1.0 . 3.96 1347 1178 A 104 GLU HGy A 104 GLU HA 1.0 . 3.96 1348 1179 A 105 HIS H A 104 GLU HGx 1.0 . 6.00 1349 1179 A 104 GLU HGy A 105 HIS H 1.0 . 6.00 1350 1180 A 85 GLU H A 84 HIS HBy 1.0 . 4.64 1351 1181 A 85 GLU H A 84 HIS HBx 1.0 . 4.64 1352 1182 A 8 PHE H A 5 ALA HA 1.0 . 5.79 1353 1183 A 78 ALA HB% A 8 PHE HA 1.0 . 5.30 1354 1184 A 15 ASN H A 13 GLU HBx 1.0 . 6.00 1355 1184 A 13 GLU HBy A 15 ASN H 1.0 . 6.00 1356 1185 A 17 LEU HB3 A 14 VAL HA 1.0 . 5.84 1357 1186 A 36 LYS H A 32 TYR HA 1.0 . 5.56 1358 1187 A 43 LEU HD1% A 42 LYS HA 1.0 . 5.23 1359 1188 A 43 LEU HD1% A 45 LYS HGx 1.0 . 4.92 1360 1189 A 54 LYS HA A 57 ASN HBx 1.0 . 4.67 1361 1190 A 39 PHE HE% A 47 ILE HA 1.0 . 6.00 1362 1191 A 2 ILE HG2% A 44 LEU HDx% 1.0 . 5.25 1363 1192 A 89 ILE HB A 90 LYS HGx 1.0 . 5.59 1364 1192 A 90 LYS HGy A 89 ILE HB 1.0 . 5.59 1365 1193 A 90 LYS HA A 90 LYS HDx 1.0 . 4.92 1366 1193 A 90 LYS HA A 90 LYS HDy 1.0 . 4.92 1367 1194 A 87 TYR HBy A 88 VAL HGy% 1.0 . 6.00 1368 1194 A 87 TYR HBx A 88 VAL HGy% 1.0 . 6.00 1369 1195 A 79 PHE HD% A 88 VAL HGy% 1.0 . 5.34 1370 1196 A 87 TYR HBy A 88 VAL HGx% 1.0 . 6.00 1371 1196 A 88 VAL HGx% A 87 TYR HBx 1.0 . 6.00 1372 1197 A 79 PHE HE% A 88 VAL HGx% 1.0 . 5.69 1373 1198 A 100 ALA HB% A 68 ILE HB 1.0 . 5.09 1374 1199 A 102 VAL HG1% A 62 THR HA 1.0 . 5.54 1375 1200 A 102 VAL HG2% A 100 ALA HB% 1.0 . 3.89 1376 1201 A 82 ALA HB% A 87 TYR H 1.0 . 5.79 1377 1202 A 89 ILE HG2% A 90 LYS HEx 1.0 . 6.00 1378 1202 A 90 LYS HEy A 89 ILE HG2% 1.0 . 6.00 1379 1203 A 90 LYS H A 90 LYS HGx 1.0 . 5.74 1380 1203 A 90 LYS H A 90 LYS HGy 1.0 . 5.74 1381 1204 A 2 ILE HG2% A 2 ILE HA 1.0 . 4.17 1382 1205 A 2 ILE HD1% A 2 ILE HA 1.0 . 4.40 1383 1206 A 3 THR HG2% A 2 ILE HA 1.0 . 4.22 1384 1207 A 3 THR H A 2 ILE HA 1.0 . 3.14 1385 1208 A 43 LEU HD2% A 3 THR HA 1.0 . 3.89 1386 1209 A 43 LEU HA A 3 THR HA 1.0 . 3.37 1387 1210 A 3 THR HA A 44 LEU H 1.0 . 4.17 1388 1211 A 5 ALA H A 3 THR HA 1.0 . 4.42 1389 1212 A 44 LEU HA A 4 PHE HA 1.0 . 4.35 1390 1213 A 6 ASP HA A 9 TYR H 1.0 . 4.33 1391 1214 A 15 ASN HA A 14 VAL HG1% 1.0 . 4.41 1392 1215 A 20 VAL HG1% A 20 VAL HA 1.0 . 3.52 1393 1216 A 21 SER HA A 22 GLU HBx 1.0 . 4.71 1394 1216 A 22 GLU HBy A 21 SER HA 1.0 . 4.71 1395 1217 A 20 VAL HB A 21 SER HA 1.0 . 4.89 1396 1218 A 21 SER HA A 22 GLU HGx 1.0 . 5.45 1397 1218 A 22 GLU HGy A 21 SER HA 1.0 . 5.45 1398 1219 A 22 GLU H A 21 SER HBy 1.0 . 4.80 1399 1220 A 22 GLU H A 21 SER HBx 1.0 . 4.80 1400 1221 A 20 VAL HB A 24 THR HB 1.0 . 4.13 1401 1222 A 26 ARG HA A 26 ARG HGx 1.0 . 3.84 1402 1222 A 26 ARG HGy A 26 ARG HA 1.0 . 3.84 1403 1223 A 26 ARG HA A 29 GLU HBx 1.0 . 3.69 1404 1223 A 29 GLU HBy A 26 ARG HA 1.0 . 3.69 1405 1224 A 29 GLU HG3 A 26 ARG HA 1.0 . 4.31 1406 1225 A 26 ARG HA A 26 ARG HDx 1.0 . 4.23 1407 1225 A 26 ARG HDy A 26 ARG HA 1.0 . 4.23 1408 1226 A 29 GLU H A 26 ARG HA 1.0 . 4.24 1409 1227 A 30 SER HA A 33 LYS HGx 1.0 . 5.61 1410 1228 A 30 SER HA A 33 LYS HGy 1.0 . 5.61 1411 1229 A 30 SER HA A 33 LYS HBx 1.0 . 3.85 1412 1229 A 33 LYS HBy A 30 SER HA 1.0 . 3.85 1413 1230 A 33 LYS H A 30 SER HA 1.0 . 4.13 1414 1231 A 30 SER H A 30 SER HBx 1.0 . 3.78 1415 1232 A 30 SER H A 30 SER HBy 1.0 . 3.78 1416 1233 A 31 ALA H A 30 SER HBy 1.0 . 4.20 1417 1234 A 34 HIS HA A 37 ASP HBx 1.0 . 4.10 1418 1235 A 34 HIS HA A 37 ASP HBy 1.0 . 4.10 1419 1236 A 37 ASP HA A 40 ARG HGx 1.0 . 5.06 1420 1237 A 37 ASP HA A 40 ARG HGy 1.0 . 5.06 1421 1238 A 36 LYS HA A 37 ASP HA 1.0 . 4.81 1422 1239 A 39 PHE HA A 42 LYS HDx 1.0 . 4.37 1423 1239 A 42 LYS HDy A 39 PHE HA 1.0 . 4.37 1424 1240 A 42 LYS HG2 A 39 PHE HA 1.0 . 5.20 1425 1241 A 40 ARG HB2 A 39 PHE HA 1.0 . 4.92 1426 1242 A 3 THR HG2% A 41 HIS HA 1.0 . 3.52 1427 1243 A 43 LEU HD2% A 43 LEU HA 1.0 . 3.45 1428 1244 A 48 LYS HA A 48 LYS HGx 1.0 . 3.93 1429 1245 A 48 LYS HA A 48 LYS HGy 1.0 . 3.93 1430 1246 A 48 LYS HA A 48 LYS HDx 1.0 . 4.44 1431 1246 A 48 LYS HDy A 48 LYS HA 1.0 . 4.44 1432 1247 A 49 ARG HA A 92 PRO HBx 1.0 . 4.86 1433 1248 A 49 ARG HA A 92 PRO HBy 1.0 . 4.86 1434 1249 A 49 ARG HA A 52 TYR HBx 1.0 . 4.78 1435 1250 A 49 ARG HA A 52 TYR HBy 1.0 . 4.78 1436 1251 A 50 THR HG2% A 50 THR HA 1.0 . 3.36 1437 1252 A 50 THR HA A 53 GLN HBx 1.0 . 4.10 1438 1253 A 50 THR HA A 53 GLN HBy 1.0 . 4.10 1439 1254 A 54 LYS H A 50 THR HA 1.0 . 5.12 1440 1255 A 53 GLN H A 50 THR HA 1.0 . 4.26 1441 1256 A 51 GLU H A 50 THR HB 1.0 . 4.44 1442 1257 A 51 GLU HA A 50 THR HG2% 1.0 . 5.40 1443 1258 A 51 GLU HA A 54 LYS HDx 1.0 . 4.14 1444 1258 A 51 GLU HA A 54 LYS HDy 1.0 . 4.14 1445 1259 A 51 GLU HA A 54 LYS HBx 1.0 . 3.49 1446 1259 A 54 LYS HBy A 51 GLU HA 1.0 . 3.49 1447 1260 A 51 GLU HA A 51 GLU HGx 1.0 . 3.94 1448 1261 A 51 GLU HA A 51 GLU HGy 1.0 . 3.94 1449 1262 A 51 GLU HA A 54 LYS H 1.0 . 4.28 1450 1263 A 55 PHE HB2 A 52 TYR HA 1.0 . 4.41 1451 1264 A 55 PHE HB3 A 52 TYR HA 1.0 . 4.46 1452 1265 A 52 TYR HA A 55 PHE HD% 1.0 . 4.82 1453 1266 A 55 PHE H A 52 TYR HA 1.0 . 4.72 1454 1267 A 60 GLY H A 57 ASN HA 1.0 . 4.59 1455 1268 A 61 LEU HD2% A 61 LEU HA 1.0 . 3.20 1456 1269 A 102 VAL HG2% A 61 LEU HA 1.0 . 3.48 1457 1270 A 61 LEU HD1% A 61 LEU HA 1.0 . 3.92 1458 1271 A 61 LEU HG A 61 LEU HA 1.0 . 3.86 1459 1272 A 102 VAL HG2% A 62 THR HA 1.0 . 4.10 1460 1273 A 62 THR HG2% A 62 THR HA 1.0 . 3.12 1461 1274 A 102 VAL HG2% A 63 HIS HA 1.0 . 4.71 1462 1275 A 63 HIS HA A 63 HIS HE1 1.0 . 5.40 1463 1276 A 64 SER H A 63 HIS HA 1.0 . 3.53 1464 1277 A 100 ALA HB% A 64 SER HA 1.0 . 4.16 1465 1278 A 102 VAL HB A 64 SER HA 1.0 . 4.59 1466 1279 A 65 TYR H A 64 SER HBx 1.0 . 4.71 1467 1280 A 65 TYR H A 64 SER HBy 1.0 . 4.71 1468 1281 A 67 THR HB A 63 HIS HBx 1.0 . 4.59 1469 1282 A 67 THR HB A 63 HIS HBy 1.0 . 4.59 1470 1283 A 67 THR HB A 67 THR H 1.0 . 3.85 1471 1284 A 67 THR HB A 68 ILE H 1.0 . 4.31 1472 1285 A 56 LEU HD2% A 72 ASN HA 1.0 . 4.47 1473 1286 A 56 LEU HD1% A 72 ASN HA 1.0 . 5.54 1474 1287 A 98 LEU HD2% A 72 ASN HA 1.0 . 6.00 1475 1288 A 75 ILE HD1% A 72 ASN HA 1.0 . 4.38 1476 1289 A 75 ILE HB A 72 ASN HA 1.0 . 4.07 1477 1290 A 75 ILE H A 72 ASN HA 1.0 . 4.69 1478 1291 A 52 TYR HH A 72 ASN HA 1.0 . 3.76 1479 1292 A 74 TYR HA A 77 ASN HBx 1.0 . 4.43 1480 1293 A 74 TYR HA A 77 ASN HBy 1.0 . 4.43 1481 1294 A 77 ASN H A 74 TYR HA 1.0 . 4.56 1482 1295 A 77 ASN HA A 80 ASP HBx 1.0 . 4.20 1483 1296 A 77 ASN HA A 80 ASP HBy 1.0 . 4.20 1484 1297 A 77 ASN HA A 11 TRP HH2 1.0 . 5.64 1485 1298 A 77 ASN HA A 77 ASN HD2x 1.0 . 4.63 1486 1299 A 77 ASN HA A 77 ASN HD2y 1.0 . 4.63 1487 1300 A 80 ASP H A 77 ASN HA 1.0 . 4.95 1488 1301 A 83 ILE HD1% A 80 ASP HA 1.0 . 4.18 1489 1302 A 83 ILE HG2% A 80 ASP HA 1.0 . 5.05 1490 1303 A 83 ILE HB A 80 ASP HA 1.0 . 4.08 1491 1304 A 81 ASP HA A 84 HIS HBy 1.0 . 4.34 1492 1305 A 87 TYR HA A 87 TYR HD% 1.0 . 3.73 1493 1306 A 43 LEU HA A 44 LEU H 1.0 . 3.18 1494 1307 A 98 LEU H A 97 GLU HA 1.0 . 3.45 1495 1308 A 98 LEU HD2% A 98 LEU HA 1.0 . 3.32 1496 1309 A 98 LEU HD1% A 98 LEU HA 1.0 . 4.14 1497 1310 A 68 ILE HD1% A 98 LEU HA 1.0 . 4.22 1498 1311 A 98 LEU HG A 98 LEU HA 1.0 . 4.06 1499 1312 A 100 ALA H A 99 HIS HA 1.0 . 3.44 1500 1313 A 68 ILE HD1% A 100 ALA HA 1.0 . 4.74 1501 1314 A 100 ALA HA A 101 SER HBx 1.0 . 4.77 1502 1314 A 101 SER HBy A 100 ALA HA 1.0 . 4.77 1503 1315 A 61 LEU HD2% A 101 SER HA 1.0 . 4.86 1504 1316 A 102 VAL HG2% A 101 SER HA 1.0 . 5.35 1505 1317 A 101 SER HA A 101 SER HBx 1.0 . 3.01 1506 1317 A 101 SER HBy A 101 SER HA 1.0 . 3.01 1507 1318 A 102 VAL H A 101 SER HA 1.0 . 3.51 1508 1319 A 103 LEU HG A 103 LEU HA 1.0 . 3.99 1509 1320 A 104 GLU H A 103 LEU HA 1.0 . 3.30 1510 1321 A 81 ASP HA A 84 HIS HBx 1.0 . 4.34 1511 1322 A 30 SER HA A 33 LYS HDx 1.0 . 4.40 1512 1322 A 33 LYS HDy A 30 SER HA 1.0 . 4.40 1513 1323 A 90 LYS HA A 90 LYS HGx 1.0 . 3.88 1514 1323 A 90 LYS HGy A 90 LYS HA 1.0 . 3.88 1515 1324 A 83 ILE HD1% A 90 LYS HA 1.0 . 5.01 1516 1325 A 35 ILE HG2% A 4 PHE HD% 1.0 . 3.75 1517 1326 A 4 PHE HD% A 47 ILE HD1% 1.0 . 3.79 1518 1327 A 39 PHE HE% A 47 ILE HD1% 1.0 . 3.96 1519 1328 A 39 PHE HE% A 42 LYS HG2 1.0 . 4.21 1520 1329 A 39 PHE HE% A 55 PHE HB2 1.0 . 4.38 1521 1330 A 35 ILE HA A 4 PHE HD% 1.0 . 5.26 1522 1331 A 35 ILE HA A 39 PHE HE% 1.0 . 5.53 1523 1332 A 44 LEU HA A 4 PHE HD% 1.0 . 4.14 1524 1333 A 4 PHE HA A 4 PHE HD% 1.0 . 3.31 1525 1334 A 4 PHE H A 4 PHE HD% 1.0 . 4.43 1526 1335 A 5 ALA H A 4 PHE HD% 1.0 . 4.66 1527 1336 A 4 PHE HE% A 35 ILE HD1% 1.0 . 4.52 1528 1337 A 35 ILE HG2% A 4 PHE HE% 1.0 . 4.02 1529 1338 A 4 PHE HE% A 75 ILE HG2% 1.0 . 3.89 1530 1339 A 4 PHE HE% A 7 TYR HBx 1.0 . 5.56 1531 1339 A 7 TYR HBy A 4 PHE HE% 1.0 . 5.56 1532 1340 A 4 PHE HE% A 5 ALA HA 1.0 . 6.00 1533 1341 A 44 LEU HA A 4 PHE HE% 1.0 . 6.00 1534 1342 A 35 ILE HD1% A 4 PHE HZ 1.0 . 4.12 1535 1343 A 35 ILE HG2% A 4 PHE HZ 1.0 . 4.43 1536 1344 A 75 ILE HG2% A 4 PHE HZ 1.0 . 3.18 1537 1345 A 79 PHE HE% A 4 PHE HZ 1.0 . 4.49 1538 1346 A 2 ILE HG2% A 7 TYR HD% 1.0 . 3.83 1539 1347 A 2 ILE HD1% A 7 TYR HD% 1.0 . 4.39 1540 1348 A 7 TYR HD% A 8 PHE HA 1.0 . 4.47 1541 1349 A 7 TYR HD% A 7 TYR HA 1.0 . 3.51 1542 1350 A 7 TYR HD% A 87 TYR HE% 1.0 . 3.90 1543 1351 A 8 PHE H A 7 TYR HD% 1.0 . 4.37 1544 1352 A 7 TYR HE% A 78 ALA HB% 1.0 . 3.38 1545 1353 A 2 ILE HG2% A 7 TYR HE% 1.0 . 4.87 1546 1354 A 7 TYR HE% A 82 ALA HB% 1.0 . 3.99 1547 1355 A 7 TYR HE% A 78 ALA HA 1.0 . 5.08 1548 1356 A 7 TYR HE% A 79 PHE HA 1.0 . 4.36 1549 1357 A 7 TYR HE% A 87 TYR HE% 1.0 . 3.72 1550 1358 A 8 PHE HD% A 35 ILE HD1% 1.0 . 4.04 1551 1359 A 8 PHE HD% A 78 ALA HB% 1.0 . 3.64 1552 1360 A 8 PHE HD% A 31 ALA HB% 1.0 . 5.15 1553 1361 A 8 PHE HD% A 35 ILE HB 1.0 . 5.47 1554 1362 A 8 PHE HD% A 8 PHE HA 1.0 . 3.73 1555 1363 A 8 PHE HD% A 9 TYR HA 1.0 . 4.27 1556 1364 A 8 PHE HD% A 32 TYR HA 1.0 . 4.14 1557 1365 A 8 PHE HD% A 9 TYR HD% 1.0 . 4.33 1558 1366 A 8 PHE HD% A 9 TYR H 1.0 . 4.33 1559 1367 A 8 PHE HE% A 78 ALA HB% 1.0 . 4.20 1560 1368 A 8 PHE HE% A 75 ILE HG2% 1.0 . 4.95 1561 1369 A 8 PHE HE% A 75 ILE HD1% 1.0 . 5.23 1562 1370 A 31 ALA HB% A 8 PHE HE% 1.0 . 3.69 1563 1371 A 8 PHE HE% A 74 TYR HBx 1.0 . 4.35 1564 1371 A 74 TYR HBy A 8 PHE HE% 1.0 . 4.35 1565 1372 A 8 PHE HE% A 75 ILE HA 1.0 . 3.71 1566 1373 A 8 PHE HE% A 11 TRP HZ3 1.0 . 4.42 1567 1374 A 32 TYR H A 8 PHE HE% 1.0 . 4.71 1568 1375 A 71 LEU HD1% A 8 PHE HZ 1.0 . 4.78 1569 1376 A 31 ALA HB% A 8 PHE HZ 1.0 . 3.69 1570 1377 A 8 PHE HZ A 74 TYR HBx 1.0 . 3.94 1571 1377 A 74 TYR HBy A 8 PHE HZ 1.0 . 3.94 1572 1378 A 28 TYR HD% A 8 PHE HZ 1.0 . 4.04 1573 1379 A 8 PHE HD% A 8 PHE HZ 1.0 . 3.95 1574 1380 A 9 TYR HD% A 10 GLN HBx 1.0 . 4.63 1575 1380 A 10 GLN HBy A 9 TYR HD% 1.0 . 4.63 1576 1381 A 9 TYR HD% A 32 TYR HBx 1.0 . 4.24 1577 1382 A 9 TYR HD% A 32 TYR HBy 1.0 . 4.24 1578 1383 A 9 TYR HA A 9 TYR HD% 1.0 . 3.38 1579 1384 A 9 TYR HD% A 32 TYR HE% 1.0 . 4.11 1580 1385 A 32 TYR HD% A 9 TYR HD% 1.0 . 3.70 1581 1386 A 10 GLN H A 9 TYR HD% 1.0 . 4.15 1582 1387 A 9 TYR H A 9 TYR HD% 1.0 . 4.37 1583 1388 A 13 GLU H A 9 TYR HD% 1.0 . 5.05 1584 1389 A 9 TYR HE% A 13 GLU HBx 1.0 . 4.73 1585 1389 A 13 GLU HBy A 9 TYR HE% 1.0 . 4.73 1586 1390 A 9 TYR HE% A 13 GLU HGx 1.0 . 5.24 1587 1391 A 9 TYR HE% A 13 GLU HGy 1.0 . 5.24 1588 1392 A 29 GLU HG2 A 9 TYR HE% 1.0 . 4.62 1589 1393 A 9 TYR HA A 9 TYR HE% 1.0 . 4.85 1590 1394 A 10 GLN HA A 9 TYR HE% 1.0 . 4.87 1591 1395 A 9 TYR HE% A 29 GLU HA 1.0 . 4.76 1592 1396 A 12 TYR HD% A 9 TYR HE% 1.0 . 4.33 1593 1397 A 32 TYR HD% A 9 TYR HE% 1.0 . 4.16 1594 1398 A 11 TRP HZ3 A 74 TYR HBx 1.0 . 4.77 1595 1398 A 74 TYR HBy A 11 TRP HZ3 1.0 . 4.77 1596 1399 A 11 TRP HZ3 A 28 TYR HE% 1.0 . 3.96 1597 1400 A 11 TRP HZ3 A 8 PHE HZ 1.0 . 4.99 1598 1401 A 78 ALA HB% A 11 TRP HE3 1.0 . 4.35 1599 1402 A 12 TYR HB2 A 11 TRP HE3 1.0 . 3.86 1600 1403 A 12 TYR HB3 A 11 TRP HE3 1.0 . 4.59 1601 1404 A 12 TYR HA A 11 TRP HE3 1.0 . 4.22 1602 1405 A 11 TRP HE3 A 8 PHE HA 1.0 . 4.32 1603 1406 A 12 TYR H A 11 TRP HE3 1.0 . 4.23 1604 1407 A 78 ALA HB% A 11 TRP HZ2 1.0 . 4.40 1605 1408 A 78 ALA HA A 11 TRP HZ2 1.0 . 4.26 1606 1409 A 11 TRP HZ2 A 16 LYS HEx 1.0 . 4.87 1607 1410 A 11 TRP HZ2 A 16 LYS HEy 1.0 . 4.87 1608 1411 A 11 TRP HZ2 A 77 ASN HBx 1.0 . 4.06 1609 1412 A 11 TRP HZ2 A 77 ASN HBy 1.0 . 4.06 1610 1413 A 11 TRP HD1 A 81 ASP HBx 1.0 . 4.64 1611 1414 A 11 TRP HD1 A 81 ASP HBy 1.0 . 4.64 1612 1415 A 11 TRP HA A 11 TRP HD1 1.0 . 3.87 1613 1416 A 7 TYR HE% A 11 TRP HD1 1.0 . 4.74 1614 1417 A 15 ASN HD2x A 11 TRP HD1 1.0 . 4.09 1615 1418 A 15 ASN HD2y A 11 TRP HD1 1.0 . 4.09 1616 1419 A 78 ALA HB% A 11 TRP HH2 1.0 . 4.30 1617 1420 A 11 TRP HH2 A 16 LYS HEx 1.0 . 4.61 1618 1421 A 11 TRP HH2 A 16 LYS HEy 1.0 . 4.61 1619 1422 A 11 TRP HH2 A 77 ASN HBx 1.0 . 4.33 1620 1423 A 11 TRP HH2 A 77 ASN HBy 1.0 . 4.33 1621 1424 A 11 TRP HH2 A 74 TYR HBx 1.0 . 4.56 1622 1424 A 74 TYR HBy A 11 TRP HH2 1.0 . 4.56 1623 1425 A 74 TYR HA A 11 TRP HH2 1.0 . 4.34 1624 1426 A 28 TYR HE% A 11 TRP HH2 1.0 . 3.83 1625 1427 A 78 ALA H A 11 TRP HH2 1.0 . 4.67 1626 1428 A 17 LEU HD1% A 12 TYR HD% 1.0 . 5.47 1627 1429 A 12 TYR HD% A 16 LYS HBx 1.0 . 4.13 1628 1430 A 12 TYR HD% A 16 LYS HBy 1.0 . 4.13 1629 1431 A 12 TYR HD% A 13 GLU HBx 1.0 . 4.33 1630 1431 A 13 GLU HBy A 12 TYR HD% 1.0 . 4.33 1631 1432 A 12 TYR HD% A 24 THR HG2% 1.0 . 5.05 1632 1433 A 12 TYR HA A 12 TYR HD% 1.0 . 3.61 1633 1434 A 9 TYR HA A 12 TYR HD% 1.0 . 4.29 1634 1435 A 12 TYR HD% A 28 TYR HD% 1.0 . 4.39 1635 1436 A 15 ASN H A 12 TYR HD% 1.0 . 5.05 1636 1437 A 12 TYR H A 12 TYR HD% 1.0 . 4.21 1637 1438 A 13 GLU H A 12 TYR HD% 1.0 . 4.24 1638 1439 A 17 LEU HB2 A 12 TYR HE% 1.0 . 5.05 1639 1440 A 17 LEU HD1% A 12 TYR HE% 1.0 . 4.13 1640 1441 A 12 TYR HE% A 16 LYS HBx 1.0 . 4.23 1641 1442 A 12 TYR HE% A 16 LYS HBy 1.0 . 4.23 1642 1443 A 24 THR HG2% A 12 TYR HE% 1.0 . 4.07 1643 1444 A 12 TYR HE% A 28 TYR HBx 1.0 . 4.03 1644 1445 A 12 TYR HE% A 28 TYR HBy 1.0 . 4.03 1645 1446 A 12 TYR HA A 12 TYR HE% 1.0 . 4.82 1646 1447 A 17 LEU HA A 12 TYR HE% 1.0 . 4.56 1647 1448 A 25 LYS HA A 12 TYR HE% 1.0 . 3.88 1648 1449 A 9 TYR HE% A 12 TYR HE% 1.0 . 4.75 1649 1450 A 28 TYR HD% A 12 TYR HE% 1.0 . 3.86 1650 1451 A 17 LEU H A 12 TYR HE% 1.0 . 5.21 1651 1452 A 19 HIS HD2 A 18 PRO HB2 1.0 . 4.99 1652 1453 A 20 VAL HG1% A 19 HIS HD2 1.0 . 4.69 1653 1454 A 18 PRO HD2 A 19 HIS HD2 1.0 . 4.01 1654 1455 A 19 HIS HD2 A 19 HIS HBx 1.0 . 3.83 1655 1456 A 19 HIS HD2 A 19 HIS HBy 1.0 . 3.83 1656 1457 A 18 PRO HD3 A 19 HIS HD2 1.0 . 5.00 1657 1458 A 16 LYS HA A 19 HIS HD2 1.0 . 3.59 1658 1459 A 24 THR HG2% A 27 HIS HD2 1.0 . 4.05 1659 1460 A 24 THR HA A 27 HIS HD2 1.0 . 3.26 1660 1461 A 27 HIS H A 27 HIS HD2 1.0 . 4.19 1661 1462 A 67 THR HG2% A 27 HIS HE1 1.0 . 3.80 1662 1463 A 27 HIS HE1 A 70 LYS HEx 1.0 . 4.67 1663 1463 A 70 LYS HEy A 27 HIS HE1 1.0 . 4.67 1664 1464 A 67 THR HA A 27 HIS HE1 1.0 . 4.66 1665 1465 A 20 VAL HG2% A 28 TYR HD% 1.0 . 4.55 1666 1466 A 24 THR HG2% A 28 TYR HD% 1.0 . 3.36 1667 1467 A 12 TYR HB2 A 28 TYR HD% 1.0 . 4.42 1668 1468 A 28 TYR HD% A 28 TYR HA 1.0 . 3.51 1669 1469 A 28 TYR HD% A 8 PHE HE% 1.0 . 4.04 1670 1470 A 28 TYR H A 28 TYR HD% 1.0 . 3.62 1671 1471 A 78 ALA HB% A 28 TYR HE% 1.0 . 5.52 1672 1472 A 20 VAL HG2% A 28 TYR HE% 1.0 . 4.32 1673 1473 A 28 TYR HE% A 16 LYS HBx 1.0 . 4.52 1674 1474 A 28 TYR HE% A 16 LYS HBy 1.0 . 4.52 1675 1475 A 24 THR HG2% A 28 TYR HE% 1.0 . 2.89 1676 1476 A 12 TYR HB2 A 28 TYR HE% 1.0 . 5.35 1677 1477 A 12 TYR HA A 28 TYR HE% 1.0 . 5.21 1678 1478 A 28 TYR HE% A 74 TYR HBx 1.0 . 3.83 1679 1478 A 74 TYR HBy A 28 TYR HE% 1.0 . 3.83 1680 1479 A 28 TYR HE% A 28 TYR HA 1.0 . 4.76 1681 1480 A 11 TRP HE3 A 28 TYR HE% 1.0 . 4.44 1682 1481 A 8 PHE HE% A 28 TYR HE% 1.0 . 4.52 1683 1482 A 28 TYR HE% A 8 PHE HZ 1.0 . 4.73 1684 1483 A 32 TYR HD% A 35 ILE HD1% 1.0 . 4.44 1685 1484 A 5 ALA HB% A 32 TYR HD% 1.0 . 4.19 1686 1485 A 32 TYR HD% A 35 ILE HB 1.0 . 4.24 1687 1486 A 32 TYR HD% A 9 TYR HBx 1.0 . 3.63 1688 1486 A 32 TYR HD% A 9 TYR HBy 1.0 . 3.63 1689 1487 A 8 PHE HB3 A 32 TYR HD% 1.0 . 4.14 1690 1488 A 32 TYR HD% A 5 ALA HA 1.0 . 3.99 1691 1489 A 32 TYR HD% A 32 TYR HA 1.0 . 3.09 1692 1490 A 8 PHE HD% A 32 TYR HD% 1.0 . 3.06 1693 1491 A 32 TYR HD% A 33 LYS H 1.0 . 4.03 1694 1492 A 32 TYR HD% A 9 TYR H 1.0 . 4.33 1695 1493 A 32 TYR HD% A 36 LYS H 1.0 . 4.64 1696 1494 A 5 ALA HB% A 32 TYR HE% 1.0 . 3.07 1697 1495 A 96 ALA HB% A 52 TYR HE% 1.0 . 3.35 1698 1496 A 32 TYR HE% A 9 TYR HBx 1.0 . 3.41 1699 1496 A 9 TYR HBy A 32 TYR HE% 1.0 . 3.41 1700 1497 A 5 ALA HA A 32 TYR HE% 1.0 . 4.01 1701 1498 A 6 ASP HA A 32 TYR HE% 1.0 . 4.21 1702 1499 A 6 ASP H A 32 TYR HE% 1.0 . 4.70 1703 1500 A 9 TYR H A 32 TYR HE% 1.0 . 3.98 1704 1501 A 34 HIS HD2 A 34 HIS HBx 1.0 . 3.61 1705 1501 A 34 HIS HBy A 34 HIS HD2 1.0 . 3.61 1706 1502 A 31 ALA HA A 34 HIS HD2 1.0 . 4.11 1707 1503 A 30 SER HA A 34 HIS HD2 1.0 . 4.75 1708 1504 A 34 HIS HA A 34 HIS HD2 1.0 . 5.10 1709 1505 A 34 HIS HD2 A 59 TYR HE% 1.0 . 4.14 1710 1506 A 34 HIS H A 34 HIS HD2 1.0 . 4.10 1711 1507 A 35 ILE HG2% A 39 PHE HD% 1.0 . 3.46 1712 1508 A 39 PHE HD% A 47 ILE HD1% 1.0 . 3.49 1713 1509 A 39 PHE HD% A 42 LYS HG3 1.0 . 5.22 1714 1510 A 39 PHE HD% A 42 LYS HDx 1.0 . 3.50 1715 1510 A 39 PHE HD% A 42 LYS HDy 1.0 . 3.50 1716 1511 A 39 PHE HD% A 42 LYS HBx 1.0 . 4.37 1717 1512 A 39 PHE HD% A 42 LYS HG2 1.0 . 4.57 1718 1513 A 39 PHE HD% A 42 LYS HBy 1.0 . 4.37 1719 1514 A 35 ILE HA A 39 PHE HD% 1.0 . 3.30 1720 1515 A 39 PHE HD% A 39 PHE HA 1.0 . 3.42 1721 1516 A 4 PHE HE% A 39 PHE HD% 1.0 . 4.44 1722 1517 A 39 PHE H A 39 PHE HD% 1.0 . 3.66 1723 1518 A 4 PHE HD% A 7 TYR HBx 1.0 . 3.99 1724 1518 A 7 TYR HBy A 4 PHE HD% 1.0 . 3.99 1725 1519 A 4 PHE HD% A 39 PHE HBx 1.0 . 4.12 1726 1520 A 4 PHE HD% A 39 PHE HBy 1.0 . 4.12 1727 1521 A 39 PHE HE% A 52 TYR HA 1.0 . 4.28 1728 1522 A 39 PHE HZ A 47 ILE HG2% 1.0 . 4.27 1729 1523 A 47 ILE HD1% A 39 PHE HZ 1.0 . 4.71 1730 1524 A 39 PHE HZ A 55 PHE HB2 1.0 . 3.81 1731 1525 A 39 PHE HZ A 52 TYR HA 1.0 . 3.61 1732 1526 A 39 PHE HD% A 39 PHE HZ 1.0 . 4.09 1733 1527 A 3 THR HG2% A 41 HIS HD2 1.0 . 4.49 1734 1528 A 40 ARG HB3 A 41 HIS HD2 1.0 . 4.83 1735 1529 A 41 HIS HA A 41 HIS HD2 1.0 . 4.17 1736 1530 A 47 ILE HG2% A 52 TYR HD% 1.0 . 4.34 1737 1531 A 93 THR HG2% A 52 TYR HD% 1.0 . 4.73 1738 1532 A 56 LEU HD1% A 52 TYR HD% 1.0 . 4.03 1739 1533 A 75 ILE HG2% A 52 TYR HD% 1.0 . 4.41 1740 1534 A 75 ILE HD1% A 52 TYR HD% 1.0 . 4.77 1741 1535 A 52 TYR HD% A 96 ALA HB% 1.0 . 3.54 1742 1536 A 52 TYR HD% A 93 THR HA 1.0 . 3.54 1743 1537 A 52 TYR HA A 52 TYR HD% 1.0 . 3.33 1744 1538 A 52 TYR H A 52 TYR HD% 1.0 . 4.54 1745 1539 A 53 GLN H A 52 TYR HD% 1.0 . 4.46 1746 1540 A 52 TYR HD% A 52 TYR HH 1.0 . 4.36 1747 1541 A 56 LEU HD2% A 52 TYR HE% 1.0 . 4.04 1748 1542 A 93 THR HG2% A 52 TYR HE% 1.0 . 4.18 1749 1543 A 56 LEU HD1% A 52 TYR HE% 1.0 . 3.48 1750 1544 A 75 ILE HG2% A 52 TYR HE% 1.0 . 3.56 1751 1545 A 75 ILE HD1% A 52 TYR HE% 1.0 . 3.70 1752 1546 A 52 TYR HE% A 93 THR HA 1.0 . 3.65 1753 1547 A 93 THR HB A 52 TYR HE% 1.0 . 4.55 1754 1548 A 56 LEU HD2% A 55 PHE HD% 1.0 . 3.95 1755 1549 A 56 LEU HG A 55 PHE HD% 1.0 . 4.12 1756 1550 A 55 PHE HA A 55 PHE HD% 1.0 . 3.40 1757 1551 A 52 TYR HD% A 55 PHE HD% 1.0 . 4.17 1758 1552 A 55 PHE HD% A 52 TYR HE% 1.0 . 4.32 1759 1553 A 55 PHE H A 55 PHE HD% 1.0 . 4.30 1760 1554 A 38 HIS HE1 A 55 PHE HD% 1.0 . 4.67 1761 1555 A 38 HIS H A 55 PHE HD% 1.0 . 5.99 1762 1556 A 58 GLU H A 55 PHE HD% 1.0 . 6.00 1763 1557 A 56 LEU H A 55 PHE HD% 1.0 . 4.11 1764 1558 A 55 PHE HE% A 71 LEU HD2% 1.0 . 3.58 1765 1559 A 55 PHE HE% A 56 LEU HD2% 1.0 . 4.21 1766 1560 A 55 PHE HE% A 71 LEU HD1% 1.0 . 4.37 1767 1561 A 55 PHE HE% A 75 ILE HD1% 1.0 . 3.30 1768 1562 A 55 PHE HE% A 34 HIS HBx 1.0 . 3.52 1769 1562 A 34 HIS HBy A 55 PHE HE% 1.0 . 3.52 1770 1563 A 55 PHE HE% A 35 ILE HA 1.0 . 4.42 1771 1564 A 35 ILE HD1% A 55 PHE HZ 1.0 . 4.63 1772 1565 A 55 PHE HZ A 71 LEU HD2% 1.0 . 3.77 1773 1566 A 55 PHE HZ A 35 ILE HG1x 1.0 . 4.66 1774 1567 A 55 PHE HZ A 71 LEU HD1% 1.0 . 4.08 1775 1568 A 55 PHE HZ A 35 ILE HG1y 1.0 . 4.66 1776 1569 A 55 PHE HZ A 34 HIS HBx 1.0 . 3.85 1777 1569 A 34 HIS HBy A 55 PHE HZ 1.0 . 3.85 1778 1570 A 55 PHE HZ A 35 ILE HA 1.0 . 4.55 1779 1571 A 71 LEU HD2% A 59 TYR HD% 1.0 . 3.78 1780 1572 A 68 ILE HD1% A 59 TYR HD% 1.0 . 3.15 1781 1573 A 56 LEU HD2% A 59 TYR HD% 1.0 . 4.69 1782 1574 A 68 ILE HG13 A 59 TYR HD% 1.0 . 3.60 1783 1575 A 68 ILE HB A 59 TYR HD% 1.0 . 4.00 1784 1576 A 59 TYR HD% A 34 HIS HBx 1.0 . 3.93 1785 1576 A 34 HIS HBy A 59 TYR HD% 1.0 . 3.93 1786 1577 A 68 ILE HA A 59 TYR HD% 1.0 . 4.03 1787 1578 A 59 TYR HA A 59 TYR HD% 1.0 . 3.62 1788 1579 A 31 ALA HA A 59 TYR HD% 1.0 . 5.25 1789 1580 A 55 PHE HE% A 59 TYR HD% 1.0 . 4.04 1790 1581 A 34 HIS HD2 A 59 TYR HD% 1.0 . 4.03 1791 1582 A 59 TYR H A 59 TYR HD% 1.0 . 4.26 1792 1583 A 60 GLY H A 59 TYR HD% 1.0 . 4.13 1793 1584 A 71 LEU HD2% A 59 TYR HE% 1.0 . 3.67 1794 1585 A 71 LEU HD1% A 59 TYR HE% 1.0 . 4.10 1795 1586 A 68 ILE HG2% A 59 TYR HE% 1.0 . 4.77 1796 1587 A 68 ILE HD1% A 59 TYR HE% 1.0 . 5.24 1797 1588 A 59 TYR HE% A 71 LEU HBx 1.0 . 4.38 1798 1589 A 67 THR HG2% A 59 TYR HE% 1.0 . 3.34 1799 1590 A 59 TYR HE% A 71 LEU HBy 1.0 . 4.38 1800 1591 A 31 ALA HB% A 59 TYR HE% 1.0 . 5.02 1801 1592 A 68 ILE HG13 A 59 TYR HE% 1.0 . 5.22 1802 1593 A 68 ILE HB A 59 TYR HE% 1.0 . 4.04 1803 1594 A 59 TYR HE% A 63 HIS HBx 1.0 . 4.45 1804 1595 A 59 TYR HE% A 63 HIS HBy 1.0 . 4.45 1805 1596 A 59 TYR HE% A 34 HIS HBx 1.0 . 4.32 1806 1596 A 34 HIS HBy A 59 TYR HE% 1.0 . 4.32 1807 1597 A 68 ILE HA A 59 TYR HE% 1.0 . 3.30 1808 1598 A 63 HIS HE1 A 59 TYR HE% 1.0 . 4.61 1809 1599 A 68 ILE H A 59 TYR HE% 1.0 . 4.26 1810 1600 A 67 THR HG2% A 63 HIS HD2 1.0 . 3.23 1811 1601 A 67 THR HB A 63 HIS HD2 1.0 . 4.61 1812 1602 A 63 HIS HA A 63 HIS HD2 1.0 . 3.98 1813 1603 A 59 TYR HD% A 63 HIS HE1 1.0 . 4.64 1814 1604 A 68 ILE HG2% A 65 TYR HD% 1.0 . 3.53 1815 1605 A 65 TYR HD% A 98 LEU HBx 1.0 . 4.48 1816 1606 A 100 ALA HB% A 65 TYR HD% 1.0 . 3.55 1817 1607 A 65 TYR HD% A 98 LEU HBy 1.0 . 4.48 1818 1608 A 66 GLU HG3 A 65 TYR HD% 1.0 . 4.61 1819 1609 A 66 GLU HA A 65 TYR HD% 1.0 . 3.79 1820 1610 A 65 TYR HA A 65 TYR HD% 1.0 . 3.15 1821 1611 A 100 ALA H A 65 TYR HD% 1.0 . 4.31 1822 1612 A 66 GLU H A 65 TYR HD% 1.0 . 3.82 1823 1613 A 65 TYR H A 65 TYR HD% 1.0 . 4.37 1824 1614 A 98 LEU HD2% A 65 TYR HE% 1.0 . 4.38 1825 1615 A 98 LEU HD1% A 65 TYR HE% 1.0 . 3.39 1826 1616 A 68 ILE HG2% A 65 TYR HE% 1.0 . 4.34 1827 1617 A 65 TYR HE% A 98 LEU HBx 1.0 . 3.47 1828 1618 A 98 LEU HG A 65 TYR HE% 1.0 . 4.58 1829 1619 A 65 TYR HE% A 98 LEU HBy 1.0 . 3.47 1830 1620 A 66 GLU HA A 65 TYR HE% 1.0 . 4.77 1831 1621 A 65 TYR HA A 65 TYR HE% 1.0 . 4.95 1832 1622 A 98 LEU HA A 65 TYR HE% 1.0 . 4.78 1833 1623 A 98 LEU H A 65 TYR HE% 1.0 . 5.52 1834 1624 A 100 ALA H A 65 TYR HE% 1.0 . 6.00 1835 1625 A 71 LEU HD1% A 74 TYR HD% 1.0 . 3.88 1836 1626 A 31 ALA HB% A 74 TYR HD% 1.0 . 3.36 1837 1627 A 71 LEU HA A 74 TYR HD% 1.0 . 3.07 1838 1628 A 74 TYR HD% A 28 TYR HA 1.0 . 4.52 1839 1629 A 74 TYR HD% A 73 SER HBx 1.0 . 4.71 1840 1629 A 73 SER HBy A 74 TYR HD% 1.0 . 4.71 1841 1630 A 74 TYR HD% A 74 TYR HA 1.0 . 2.99 1842 1631 A 74 TYR HD% A 8 PHE HZ 1.0 . 3.41 1843 1632 A 74 TYR H A 74 TYR HD% 1.0 . 3.68 1844 1633 A 75 ILE H A 74 TYR HD% 1.0 . 4.26 1845 1634 A 71 LEU HD1% A 74 TYR HE% 1.0 . 4.49 1846 1635 A 74 TYR HE% A 70 LYS HGx 1.0 . 4.54 1847 1636 A 74 TYR HE% A 70 LYS HGy 1.0 . 4.54 1848 1637 A 24 THR HG2% A 74 TYR HE% 1.0 . 4.79 1849 1638 A 31 ALA HB% A 74 TYR HE% 1.0 . 3.76 1850 1639 A 74 TYR HE% A 70 LYS HEx 1.0 . 5.24 1851 1639 A 70 LYS HEy A 74 TYR HE% 1.0 . 5.24 1852 1640 A 71 LEU HA A 74 TYR HE% 1.0 . 3.40 1853 1641 A 28 TYR HA A 74 TYR HE% 1.0 . 3.99 1854 1642 A 74 TYR HA A 74 TYR HE% 1.0 . 4.54 1855 1643 A 8 PHE HZ A 74 TYR HE% 1.0 . 5.10 1856 1644 A 71 LEU H A 74 TYR HE% 1.0 . 4.44 1857 1645 A 74 TYR H A 74 TYR HE% 1.0 . 4.48 1858 1646 A 79 PHE HD% A 93 THR HG2% 1.0 . 4.20 1859 1647 A 79 PHE HD% A 78 ALA HB% 1.0 . 4.52 1860 1648 A 79 PHE HD% A 88 VAL HGx% 1.0 . 5.34 1861 1649 A 79 PHE HD% A 75 ILE HG2% 1.0 . 3.30 1862 1650 A 79 PHE HD% A 79 PHE HA 1.0 . 3.95 1863 1651 A 79 PHE HD% A 79 PHE H 1.0 . 4.38 1864 1652 A 79 PHE HE% A 88 VAL HGy% 1.0 . 5.69 1865 1653 A 75 ILE HG2% A 79 PHE HE% 1.0 . 3.54 1866 1654 A 47 ILE HB A 79 PHE HE% 1.0 . 5.26 1867 1655 A 47 ILE HG2% A 79 PHE HZ 1.0 . 4.34 1868 1656 A 47 ILE HD1% A 79 PHE HZ 1.0 . 5.01 1869 1657 A 47 ILE HB A 79 PHE HZ 1.0 . 3.90 1870 1658 A 47 ILE H A 79 PHE HZ 1.0 . 5.46 1871 1659 A 82 ALA HB% A 87 TYR HD% 1.0 . 4.73 1872 1660 A 87 TYR HD% A 82 ALA HA 1.0 . 3.70 1873 1661 A 2 ILE HG2% A 87 TYR HE% 1.0 . 4.33 1874 1662 A 87 TYR HE% A 44 LEU HG 1.0 . 5.22 1875 1663 A 1 MET HA A 87 TYR HE% 1.0 . 6.00 1876 1664 A 87 TYR HE% A 82 ALA HA 1.0 . 6.00 1877 1665 A 94 TYR HD% A 95 LYS HDx 1.0 . 4.34 1878 1665 A 95 LYS HDy A 94 TYR HD% 1.0 . 4.34 1879 1666 A 94 TYR HD% A 95 LYS HBx 1.0 . 4.66 1880 1667 A 94 TYR HD% A 95 LYS HBy 1.0 . 4.66 1881 1668 A 94 TYR HD% A 49 ARG HDx 1.0 . 4.16 1882 1668 A 49 ARG HDy A 94 TYR HD% 1.0 . 4.16 1883 1669 A 94 TYR HD% A 94 TYR HA 1.0 . 3.15 1884 1670 A 95 LYS H A 94 TYR HD% 1.0 . 4.27 1885 1671 A 94 TYR HE% A 95 LYS HDx 1.0 . 4.73 1886 1671 A 95 LYS HDy A 94 TYR HE% 1.0 . 4.73 1887 1672 A 94 TYR HE% A 95 LYS HEx 1.0 . 4.19 1888 1672 A 94 TYR HE% A 95 LYS HEy 1.0 . 4.19 1889 1673 A 8 PHE HB3 A 32 TYR HE% 1.0 . 4.32 1890 1674 A 52 TYR HA A 52 TYR HE% 1.0 . 4.97 1891 1675 A 94 TYR HA A 94 TYR HE% 1.0 . 5.38 1892 1676 A 36 LYS H A 32 TYR HE% 1.0 . 5.25 1893 1677 A 99 HIS HD2 A 99 HIS HBx 1.0 . 3.28 1894 1677 A 99 HIS HBy A 99 HIS HD2 1.0 . 3.28 1895 1678 A 83 ILE HG2% A 84 HIS HD2 1.0 . 4.50 1896 1679 A 84 HIS HA A 84 HIS HD2 1.0 . 4.26 1897 1680 A 75 ILE HD1% A 55 PHE HD% 1.0 . 4.24 1898 1681 A 59 TYR HE% A 34 HIS HE1 1.0 . 4.86 1899 1682 A 38 HIS HE1 A 58 GLU HBx 1.0 . 4.07 1900 1682 A 58 GLU HBy A 38 HIS HE1 1.0 . 4.07 1901 1683 A 55 PHE HA A 38 HIS HE1 1.0 . 4.26 1902 1684 A 18 PRO HB2 A 19 HIS HE1 1.0 . 4.86 1903 1685 A 43 LEU HD2% A 1 MET HBx 1.0 . 3.63 1904 1685 A 43 LEU HD2% A 1 MET HBy 1.0 . 3.63 1905 1686 A 1 MET HGx A 43 LEU HBy 1.0 . 5.61 1906 1686 A 1 MET HGy A 43 LEU HBy 1.0 . 5.61 1907 1686 A 43 LEU HBx A 1 MET HGx 1.0 . 5.61 1908 1686 A 1 MET HGy A 43 LEU HBx 1.0 . 5.61 1909 1687 A 1 MET HGx A 45 LYS HDx 1.0 . 5.81 1910 1687 A 45 LYS HDy A 1 MET HGx 1.0 . 5.81 1911 1687 A 1 MET HGy A 45 LYS HDy 1.0 . 5.81 1912 1687 A 1 MET HGy A 45 LYS HDx 1.0 . 5.81 1913 1688 A 1 MET HE% A 45 LYS HEx 1.0 . 4.85 1914 1688 A 1 MET HE% A 45 LYS HEy 1.0 . 4.85 1915 1689 A 2 ILE HA A 2 ILE HG1x 1.0 . 3.73 1916 1689 A 2 ILE HA A 2 ILE HG1y 1.0 . 3.73 1917 1690 A 2 ILE HG2% A 44 LEU HBy 1.0 . 5.30 1918 1690 A 2 ILE HG2% A 44 LEU HBx 1.0 . 5.30 1919 1691 A 2 ILE HG2% A 44 LEU HDx% 1.0 . 4.38 1920 1691 A 2 ILE HG2% A 44 LEU HDy% 1.0 . 4.38 1921 1692 A 3 THR H A 2 ILE HG1x 1.0 . 4.38 1922 1692 A 3 THR H A 2 ILE HG1y 1.0 . 4.38 1923 1693 A 2 ILE HG1y A 6 ASP HBy 1.0 . 4.41 1924 1693 A 2 ILE HG1x A 6 ASP HBy 1.0 . 4.41 1925 1693 A 6 ASP HBx A 2 ILE HG1x 1.0 . 4.41 1926 1693 A 2 ILE HG1y A 6 ASP HBx 1.0 . 4.41 1927 1694 A 7 TYR H A 2 ILE HG1x 1.0 . 4.34 1928 1694 A 7 TYR H A 2 ILE HG1y 1.0 . 4.34 1929 1695 A 2 ILE HG1y A 7 TYR HBx 1.0 . 5.52 1930 1695 A 2 ILE HG1x A 7 TYR HBx 1.0 . 5.52 1931 1695 A 7 TYR HBy A 2 ILE HG1x 1.0 . 5.52 1932 1695 A 7 TYR HBy A 2 ILE HG1y 1.0 . 5.52 1933 1696 A 2 ILE HD1% A 6 ASP HBy 1.0 . 4.74 1934 1696 A 2 ILE HD1% A 6 ASP HBx 1.0 . 4.74 1935 1697 A 2 ILE HD1% A 10 GLN HE2y 1.0 . 4.96 1936 1697 A 2 ILE HD1% A 10 GLN HE2x 1.0 . 4.96 1937 1698 A 3 THR HA A 43 LEU HBy 1.0 . 5.79 1938 1698 A 3 THR HA A 43 LEU HBx 1.0 . 5.79 1939 1699 A 3 THR HG2% A 41 HIS HBy 1.0 . 4.08 1940 1699 A 3 THR HG2% A 41 HIS HBx 1.0 . 4.08 1941 1700 A 4 PHE HA A 44 LEU HBy 1.0 . 4.15 1942 1700 A 4 PHE HA A 44 LEU HBx 1.0 . 4.15 1943 1701 A 4 PHE HA A 44 LEU HDx% 1.0 . 3.80 1944 1701 A 4 PHE HA A 44 LEU HDy% 1.0 . 3.80 1945 1702 A 5 ALA H A 4 PHE HBy 1.0 . 4.10 1946 1702 A 5 ALA H A 4 PHE HBx 1.0 . 4.10 1947 1703 A 5 ALA HA A 4 PHE HBy 1.0 . 5.78 1948 1703 A 5 ALA HA A 4 PHE HBx 1.0 . 5.78 1949 1704 A 42 LYS HG2 A 4 PHE HBy 1.0 . 5.81 1950 1704 A 42 LYS HG2 A 4 PHE HBx 1.0 . 5.81 1951 1705 A 44 LEU HA A 4 PHE HBy 1.0 . 4.39 1952 1705 A 44 LEU HA A 4 PHE HBx 1.0 . 4.39 1953 1706 A 4 PHE HBx A 44 LEU HDx% 1.0 . 5.28 1954 1706 A 4 PHE HBy A 44 LEU HDx% 1.0 . 5.28 1955 1706 A 44 LEU HDy% A 4 PHE HBy 1.0 . 5.28 1956 1706 A 44 LEU HDy% A 4 PHE HBx 1.0 . 5.28 1957 1707 A 4 PHE HBx A 47 ILE HG1x 1.0 . 5.02 1958 1707 A 4 PHE HBy A 47 ILE HG1x 1.0 . 5.02 1959 1707 A 47 ILE HG1y A 4 PHE HBy 1.0 . 5.02 1960 1707 A 4 PHE HBx A 47 ILE HG1y 1.0 . 5.02 1961 1708 A 4 PHE HD% A 35 ILE HG1x 1.0 . 5.81 1962 1708 A 4 PHE HD% A 35 ILE HG1y 1.0 . 5.81 1963 1709 A 4 PHE HD% A 39 PHE HBy 1.0 . 3.61 1964 1709 A 4 PHE HD% A 39 PHE HBx 1.0 . 3.61 1965 1710 A 4 PHE HD% A 44 LEU HBy 1.0 . 3.80 1966 1710 A 4 PHE HD% A 44 LEU HBx 1.0 . 3.80 1967 1711 A 4 PHE HD% A 44 LEU HDx% 1.0 . 4.61 1968 1711 A 4 PHE HD% A 44 LEU HDy% 1.0 . 4.61 1969 1712 A 4 PHE HD% A 47 ILE HG1x 1.0 . 5.81 1970 1712 A 4 PHE HD% A 47 ILE HG1y 1.0 . 5.81 1971 1713 A 4 PHE HE% A 35 ILE HG1x 1.0 . 5.30 1972 1713 A 4 PHE HE% A 35 ILE HG1y 1.0 . 5.30 1973 1714 A 4 PHE HE% A 39 PHE HBy 1.0 . 5.73 1974 1714 A 4 PHE HE% A 39 PHE HBx 1.0 . 5.73 1975 1715 A 4 PHE HZ A 35 ILE HG1x 1.0 . 5.81 1976 1715 A 4 PHE HZ A 35 ILE HG1y 1.0 . 5.81 1977 1716 A 4 PHE HZ A 75 ILE HG1x 1.0 . 4.37 1978 1716 A 4 PHE HZ A 75 ILE HG1y 1.0 . 4.37 1979 1717 A 6 ASP H A 6 ASP HBy 1.0 . 3.58 1980 1717 A 6 ASP H A 6 ASP HBx 1.0 . 3.58 1981 1718 A 7 TYR H A 6 ASP HBy 1.0 . 4.04 1982 1718 A 7 TYR H A 6 ASP HBx 1.0 . 4.04 1983 1719 A 7 TYR H A 44 LEU HDx% 1.0 . 5.89 1984 1719 A 7 TYR H A 44 LEU HDy% 1.0 . 5.89 1985 1720 A 7 TYR HA A 10 GLN HE2y 1.0 . 5.17 1986 1720 A 7 TYR HA A 10 GLN HE2x 1.0 . 5.17 1987 1721 A 7 TYR HBy A 44 LEU HDx% 1.0 . 5.17 1988 1721 A 7 TYR HBx A 44 LEU HDx% 1.0 . 5.17 1989 1721 A 44 LEU HDy% A 7 TYR HBx 1.0 . 5.17 1990 1721 A 7 TYR HBy A 44 LEU HDy% 1.0 . 5.17 1991 1722 A 7 TYR HD% A 44 LEU HDx% 1.0 . 3.94 1992 1722 A 7 TYR HD% A 44 LEU HDy% 1.0 . 3.94 1993 1723 A 7 TYR HE% A 11 TRP HBy 1.0 . 4.45 1994 1723 A 7 TYR HE% A 11 TRP HBx 1.0 . 4.45 1995 1724 A 7 TYR HE% A 44 LEU HDx% 1.0 . 4.49 1996 1724 A 7 TYR HE% A 44 LEU HDy% 1.0 . 4.49 1997 1725 A 8 PHE HA A 11 TRP HBy 1.0 . 4.15 1998 1725 A 8 PHE HA A 11 TRP HBx 1.0 . 4.15 1999 1726 A 8 PHE HD% A 32 TYR HBy 1.0 . 3.62 2000 1726 A 8 PHE HD% A 32 TYR HBx 1.0 . 3.62 2001 1727 A 8 PHE HE% A 32 TYR HBy 1.0 . 4.06 2002 1727 A 8 PHE HE% A 32 TYR HBx 1.0 . 4.06 2003 1728 A 8 PHE HE% A 75 ILE HG1x 1.0 . 4.56 2004 1728 A 8 PHE HE% A 75 ILE HG1y 1.0 . 4.56 2005 1729 A 9 TYR H A 11 TRP HBy 1.0 . 5.81 2006 1729 A 9 TYR H A 11 TRP HBx 1.0 . 5.81 2007 1730 A 9 TYR HD% A 13 GLU HGx 1.0 . 5.51 2008 1730 A 9 TYR HD% A 13 GLU HGy 1.0 . 5.51 2009 1731 A 9 TYR HE% A 13 GLU HGx 1.0 . 4.40 2010 1731 A 9 TYR HE% A 13 GLU HGy 1.0 . 4.40 2011 1732 A 10 GLN H A 10 GLN HGx 1.0 . 4.12 2012 1732 A 10 GLN H A 10 GLN HGy 1.0 . 4.12 2013 1733 A 10 GLN H A 11 TRP HBy 1.0 . 5.81 2014 1733 A 10 GLN H A 11 TRP HBx 1.0 . 5.81 2015 1734 A 10 GLN HE2y A 10 GLN HA 1.0 . 5.81 2016 1734 A 10 GLN HE2x A 10 GLN HA 1.0 . 5.81 2017 1735 A 11 TRP H A 10 GLN HGx 1.0 . 5.07 2018 1735 A 11 TRP H A 10 GLN HGy 1.0 . 5.07 2019 1736 A 10 GLN HGy A 13 GLU HBx 1.0 . 5.54 2020 1736 A 10 GLN HGx A 13 GLU HBx 1.0 . 5.54 2021 1736 A 13 GLU HBy A 10 GLN HGx 1.0 . 5.54 2022 1736 A 13 GLU HBy A 10 GLN HGy 1.0 . 5.54 2023 1737 A 11 TRP H A 10 GLN HE2y 1.0 . 5.71 2024 1737 A 11 TRP H A 10 GLN HE2x 1.0 . 5.71 2025 1738 A 10 GLN HE2y A 14 VAL HG2% 1.0 . 5.81 2026 1738 A 10 GLN HE2x A 14 VAL HG2% 1.0 . 5.81 2027 1739 A 11 TRP H A 11 TRP HBy 1.0 . 3.52 2028 1739 A 11 TRP H A 11 TRP HBx 1.0 . 3.52 2029 1740 A 15 ASN HD2x A 11 TRP HA 1.0 . 4.40 2030 1740 A 11 TRP HA A 15 ASN HD2y 1.0 . 4.40 2031 1741 A 11 TRP HE3 A 11 TRP HBy 1.0 . 3.58 2032 1741 A 11 TRP HE3 A 11 TRP HBx 1.0 . 3.58 2033 1742 A 12 TYR H A 11 TRP HBy 1.0 . 4.32 2034 1742 A 12 TYR H A 11 TRP HBx 1.0 . 4.32 2035 1743 A 78 ALA HB% A 11 TRP HBy 1.0 . 5.60 2036 1743 A 78 ALA HB% A 11 TRP HBx 1.0 . 5.60 2037 1744 A 11 TRP HD1 A 15 ASN HBy 1.0 . 5.81 2038 1744 A 11 TRP HD1 A 15 ASN HBx 1.0 . 5.81 2039 1745 A 15 ASN HD2x A 11 TRP HD1 1.0 . 3.41 2040 1745 A 15 ASN HD2y A 11 TRP HD1 1.0 . 3.41 2041 1746 A 11 TRP HD1 A 81 ASP HBy 1.0 . 3.82 2042 1746 A 11 TRP HD1 A 81 ASP HBx 1.0 . 3.82 2043 1747 A 11 TRP HE1 A 81 ASP HBy 1.0 . 5.48 2044 1747 A 81 ASP HBx A 11 TRP HE1 1.0 . 5.48 2045 1748 A 11 TRP HZ2 A 15 ASN HBy 1.0 . 5.81 2046 1748 A 11 TRP HZ2 A 15 ASN HBx 1.0 . 5.81 2047 1749 A 11 TRP HZ2 A 16 LYS HEy 1.0 . 4.25 2048 1749 A 11 TRP HZ2 A 16 LYS HEx 1.0 . 4.25 2049 1750 A 11 TRP HZ2 A 77 ASN HBy 1.0 . 3.30 2050 1750 A 11 TRP HZ2 A 77 ASN HBx 1.0 . 3.30 2051 1751 A 77 ASN HD2y A 11 TRP HZ2 1.0 . 4.43 2052 1751 A 77 ASN HD2x A 11 TRP HZ2 1.0 . 4.43 2053 1752 A 11 TRP HZ2 A 81 ASP HBy 1.0 . 5.81 2054 1752 A 11 TRP HZ2 A 81 ASP HBx 1.0 . 5.81 2055 1753 A 11 TRP HH2 A 16 LYS HGy 1.0 . 5.81 2056 1753 A 11 TRP HH2 A 16 LYS HGx 1.0 . 5.81 2057 1754 A 11 TRP HH2 A 16 LYS HEy 1.0 . 3.90 2058 1754 A 11 TRP HH2 A 16 LYS HEx 1.0 . 3.90 2059 1755 A 11 TRP HH2 A 77 ASN HBy 1.0 . 3.72 2060 1755 A 11 TRP HH2 A 77 ASN HBx 1.0 . 3.72 2061 1756 A 12 TYR HA A 16 LYS HBx 1.0 . 5.03 2062 1756 A 12 TYR HA A 16 LYS HBy 1.0 . 5.03 2063 1757 A 12 TYR HA A 16 LYS HGy 1.0 . 5.29 2064 1757 A 12 TYR HA A 16 LYS HGx 1.0 . 5.29 2065 1758 A 12 TYR HD% A 13 GLU HGx 1.0 . 5.61 2066 1758 A 12 TYR HD% A 13 GLU HGy 1.0 . 5.61 2067 1759 A 12 TYR HD% A 16 LYS HBx 1.0 . 3.30 2068 1759 A 12 TYR HD% A 16 LYS HBy 1.0 . 3.30 2069 1760 A 12 TYR HD% A 16 LYS HGy 1.0 . 4.34 2070 1760 A 12 TYR HD% A 16 LYS HGx 1.0 . 4.34 2071 1761 A 12 TYR HE% A 16 LYS HBx 1.0 . 3.70 2072 1761 A 12 TYR HE% A 16 LYS HBy 1.0 . 3.70 2073 1762 A 12 TYR HE% A 16 LYS HGy 1.0 . 4.06 2074 1762 A 12 TYR HE% A 16 LYS HGx 1.0 . 4.06 2075 1763 A 12 TYR HE% A 25 LYS HGy 1.0 . 4.49 2076 1763 A 12 TYR HE% A 25 LYS HGx 1.0 . 4.49 2077 1764 A 12 TYR HE% A 28 TYR HBx 1.0 . 3.43 2078 1764 A 12 TYR HE% A 28 TYR HBy 1.0 . 3.43 2079 1765 A 13 GLU H A 13 GLU HGx 1.0 . 4.61 2080 1765 A 13 GLU H A 13 GLU HGy 1.0 . 4.61 2081 1766 A 14 VAL H A 13 GLU HGx 1.0 . 5.35 2082 1766 A 14 VAL H A 13 GLU HGy 1.0 . 5.35 2083 1767 A 14 VAL HG2% A 13 GLU HGx 1.0 . 5.55 2084 1767 A 14 VAL HG2% A 13 GLU HGy 1.0 . 5.55 2085 1768 A 17 LEU HD1% A 13 GLU HGx 1.0 . 4.08 2086 1768 A 17 LEU HD1% A 13 GLU HGy 1.0 . 4.08 2087 1769 A 17 LEU HD2% A 13 GLU HGx 1.0 . 4.01 2088 1769 A 17 LEU HD2% A 13 GLU HGy 1.0 . 4.01 2089 1770 A 14 VAL HB A 15 ASN HD2x 1.0 . 4.60 2090 1770 A 14 VAL HB A 15 ASN HD2y 1.0 . 4.60 2091 1771 A 15 ASN HD2x A 14 VAL HG2% 1.0 . 5.52 2092 1771 A 14 VAL HG2% A 15 ASN HD2y 1.0 . 5.52 2093 1772 A 15 ASN H A 15 ASN HD2x 1.0 . 5.07 2094 1772 A 15 ASN H A 15 ASN HD2y 1.0 . 5.07 2095 1773 A 15 ASN H A 16 LYS HEy 1.0 . 5.56 2096 1773 A 15 ASN H A 16 LYS HEx 1.0 . 5.56 2097 1774 A 15 ASN HBy A 16 LYS HGy 1.0 . 4.94 2098 1774 A 15 ASN HBx A 16 LYS HGy 1.0 . 4.94 2099 1774 A 16 LYS HGx A 15 ASN HBy 1.0 . 4.94 2100 1774 A 15 ASN HBx A 16 LYS HGx 1.0 . 4.94 2101 1775 A 15 ASN HBx A 16 LYS HEy 1.0 . 5.37 2102 1775 A 15 ASN HBy A 16 LYS HEy 1.0 . 5.37 2103 1775 A 16 LYS HEx A 15 ASN HBy 1.0 . 5.37 2104 1775 A 15 ASN HBx A 16 LYS HEx 1.0 . 5.37 2105 1776 A 17 LEU H A 15 ASN HBy 1.0 . 5.81 2106 1776 A 17 LEU H A 15 ASN HBx 1.0 . 5.81 2107 1777 A 16 LYS H A 16 LYS HGy 1.0 . 4.87 2108 1777 A 16 LYS H A 16 LYS HGx 1.0 . 4.87 2109 1778 A 16 LYS H A 16 LYS HEy 1.0 . 5.81 2110 1778 A 16 LYS H A 16 LYS HEx 1.0 . 5.81 2111 1779 A 16 LYS HA A 16 LYS HDx 1.0 . 3.49 2112 1779 A 16 LYS HA A 16 LYS HDy 1.0 . 3.49 2113 1780 A 16 LYS HA A 16 LYS HEy 1.0 . 5.58 2114 1780 A 16 LYS HA A 16 LYS HEx 1.0 . 5.58 2115 1781 A 16 LYS HA A 19 HIS HBy 1.0 . 5.67 2116 1781 A 16 LYS HA A 19 HIS HBx 1.0 . 5.67 2117 1782 A 16 LYS HBy A 16 LYS HEy 1.0 . 5.11 2118 1782 A 16 LYS HBx A 16 LYS HEy 1.0 . 5.11 2119 1782 A 16 LYS HEx A 16 LYS HBx 1.0 . 5.11 2120 1782 A 16 LYS HEx A 16 LYS HBy 1.0 . 5.11 2121 1783 A 17 LEU H A 16 LYS HBx 1.0 . 4.24 2122 1783 A 17 LEU H A 16 LYS HBy 1.0 . 4.24 2123 1784 A 28 TYR HD% A 16 LYS HBx 1.0 . 5.36 2124 1784 A 28 TYR HD% A 16 LYS HBy 1.0 . 5.36 2125 1785 A 28 TYR HE% A 16 LYS HBx 1.0 . 3.90 2126 1785 A 28 TYR HE% A 16 LYS HBy 1.0 . 3.90 2127 1786 A 28 TYR HE% A 16 LYS HGy 1.0 . 4.18 2128 1786 A 28 TYR HE% A 16 LYS HGx 1.0 . 4.18 2129 1787 A 17 LEU H A 16 LYS HDx 1.0 . 5.18 2130 1787 A 17 LEU H A 16 LYS HDy 1.0 . 5.18 2131 1788 A 28 TYR HE% A 16 LYS HEy 1.0 . 5.47 2132 1788 A 28 TYR HE% A 16 LYS HEx 1.0 . 5.47 2133 1789 A 17 LEU H A 18 PRO HGy 1.0 . 4.55 2134 1789 A 17 LEU H A 18 PRO HGx 1.0 . 4.55 2135 1790 A 17 LEU HG A 25 LYS HEy 1.0 . 4.49 2136 1790 A 17 LEU HG A 25 LYS HEx 1.0 . 4.49 2137 1791 A 17 LEU HD1% A 25 LYS HGy 1.0 . 5.07 2138 1791 A 17 LEU HD1% A 25 LYS HGx 1.0 . 5.07 2139 1792 A 17 LEU HD1% A 25 LYS HEy 1.0 . 4.10 2140 1792 A 17 LEU HD1% A 25 LYS HEx 1.0 . 4.10 2141 1793 A 17 LEU HD2% A 25 LYS HEy 1.0 . 4.53 2142 1793 A 17 LEU HD2% A 25 LYS HEx 1.0 . 4.53 2143 1794 A 19 HIS H A 18 PRO HGy 1.0 . 4.97 2144 1794 A 19 HIS H A 18 PRO HGx 1.0 . 4.97 2145 1795 A 19 HIS HE1 A 18 PRO HGy 1.0 . 4.58 2146 1795 A 19 HIS HE1 A 18 PRO HGx 1.0 . 4.58 2147 1796 A 19 HIS HD2 A 19 HIS HBy 1.0 . 3.19 2148 1796 A 19 HIS HD2 A 19 HIS HBx 1.0 . 3.19 2149 1797 A 20 VAL HG1% A 19 HIS HBy 1.0 . 4.70 2150 1797 A 20 VAL HG1% A 19 HIS HBx 1.0 . 4.70 2151 1798 A 20 VAL HG2% A 19 HIS HBy 1.0 . 5.33 2152 1798 A 20 VAL HG2% A 19 HIS HBx 1.0 . 5.33 2153 1799 A 20 VAL HG2% A 25 LYS HGy 1.0 . 3.59 2154 1799 A 20 VAL HG2% A 25 LYS HGx 1.0 . 3.59 2155 1800 A 20 VAL HG2% A 25 LYS HEy 1.0 . 5.04 2156 1800 A 20 VAL HG2% A 25 LYS HEx 1.0 . 5.04 2157 1801 A 21 SER H A 21 SER HBy 1.0 . 3.67 2158 1801 A 21 SER H A 21 SER HBx 1.0 . 3.67 2159 1802 A 22 GLU H A 21 SER HBy 1.0 . 4.12 2160 1802 A 22 GLU H A 21 SER HBx 1.0 . 4.12 2161 1803 A 21 SER HBx A 22 GLU HGx 1.0 . 5.70 2162 1803 A 21 SER HBy A 22 GLU HGx 1.0 . 5.70 2163 1803 A 22 GLU HGy A 21 SER HBy 1.0 . 5.70 2164 1803 A 22 GLU HGy A 21 SER HBx 1.0 . 5.70 2165 1804 A 22 GLU HA A 25 LYS HBx 1.0 . 4.04 2166 1804 A 22 GLU HA A 25 LYS HBy 1.0 . 4.04 2167 1805 A 22 GLU HA A 25 LYS HGy 1.0 . 4.33 2168 1805 A 22 GLU HA A 25 LYS HGx 1.0 . 4.33 2169 1806 A 22 GLU HA A 25 LYS HEy 1.0 . 4.93 2170 1806 A 22 GLU HA A 25 LYS HEx 1.0 . 4.93 2171 1807 A 22 GLU HGx A 25 LYS HBx 1.0 . 5.81 2172 1807 A 22 GLU HGy A 25 LYS HBx 1.0 . 5.81 2173 1807 A 25 LYS HBy A 22 GLU HGx 1.0 . 5.81 2174 1807 A 22 GLU HGy A 25 LYS HBy 1.0 . 5.81 2175 1808 A 22 GLU HGy A 25 LYS HGy 1.0 . 5.52 2176 1808 A 22 GLU HGx A 25 LYS HGy 1.0 . 5.52 2177 1808 A 25 LYS HGx A 22 GLU HGx 1.0 . 5.52 2178 1808 A 22 GLU HGy A 25 LYS HGx 1.0 . 5.52 2179 1809 A 24 THR H A 25 LYS HGy 1.0 . 5.21 2180 1809 A 24 THR H A 25 LYS HGx 1.0 . 5.21 2181 1810 A 24 THR HA A 27 HIS HBy 1.0 . 4.95 2182 1810 A 24 THR HA A 27 HIS HBx 1.0 . 4.95 2183 1811 A 24 THR HG2% A 27 HIS HBy 1.0 . 4.85 2184 1811 A 24 THR HG2% A 27 HIS HBx 1.0 . 4.85 2185 1812 A 25 LYS H A 25 LYS HGy 1.0 . 3.69 2186 1812 A 25 LYS H A 25 LYS HGx 1.0 . 3.69 2187 1813 A 25 LYS HA A 28 TYR HBx 1.0 . 4.73 2188 1813 A 25 LYS HA A 28 TYR HBy 1.0 . 4.73 2189 1814 A 29 GLU H A 25 LYS HBx 1.0 . 5.81 2190 1814 A 29 GLU H A 25 LYS HBy 1.0 . 5.81 2191 1815 A 29 GLU HG2 A 25 LYS HBx 1.0 . 5.81 2192 1815 A 29 GLU HG2 A 25 LYS HBy 1.0 . 5.81 2193 1816 A 26 ARG H A 25 LYS HGy 1.0 . 5.54 2194 1816 A 26 ARG H A 25 LYS HGx 1.0 . 5.54 2195 1817 A 28 TYR H A 27 HIS HBy 1.0 . 4.24 2196 1817 A 28 TYR H A 27 HIS HBx 1.0 . 4.24 2197 1818 A 74 TYR HE% A 27 HIS HBy 1.0 . 3.68 2198 1818 A 74 TYR HE% A 27 HIS HBx 1.0 . 3.68 2199 1819 A 28 TYR H A 28 TYR HBx 1.0 . 3.66 2200 1819 A 28 TYR H A 28 TYR HBy 1.0 . 3.66 2201 1820 A 29 GLU H A 28 TYR HBx 1.0 . 3.85 2202 1820 A 29 GLU H A 28 TYR HBy 1.0 . 3.85 2203 1821 A 29 GLU HA A 32 TYR HBy 1.0 . 4.94 2204 1821 A 29 GLU HA A 32 TYR HBx 1.0 . 4.94 2205 1822 A 30 SER H A 30 SER HBx 1.0 . 3.31 2206 1822 A 30 SER H A 30 SER HBy 1.0 . 3.31 2207 1823 A 30 SER HA A 33 LYS HGx 1.0 . 4.76 2208 1823 A 30 SER HA A 33 LYS HGy 1.0 . 4.76 2209 1824 A 31 ALA HB% A 32 TYR HBy 1.0 . 4.98 2210 1824 A 31 ALA HB% A 32 TYR HBx 1.0 . 4.98 2211 1825 A 31 ALA HB% A 71 LEU HBx 1.0 . 4.87 2212 1825 A 31 ALA HB% A 71 LEU HBy 1.0 . 4.87 2213 1826 A 35 ILE HD1% A 32 TYR HBy 1.0 . 5.21 2214 1826 A 35 ILE HD1% A 32 TYR HBx 1.0 . 5.21 2215 1827 A 32 TYR HD% A 36 LYS HBy 1.0 . 4.34 2216 1827 A 32 TYR HD% A 36 LYS HBx 1.0 . 4.34 2217 1828 A 32 TYR HE% A 36 LYS HBy 1.0 . 4.39 2218 1828 A 32 TYR HE% A 36 LYS HBx 1.0 . 4.39 2219 1829 A 32 TYR HE% A 36 LYS HEy 1.0 . 4.58 2220 1829 A 32 TYR HE% A 36 LYS HEx 1.0 . 4.58 2221 1830 A 33 LYS H A 33 LYS HGx 1.0 . 4.26 2222 1830 A 33 LYS H A 33 LYS HGy 1.0 . 4.26 2223 1831 A 33 LYS HA A 36 LYS HEy 1.0 . 4.61 2224 1831 A 33 LYS HA A 36 LYS HEx 1.0 . 4.61 2225 1832 A 34 HIS H A 33 LYS HGx 1.0 . 4.95 2226 1832 A 34 HIS H A 33 LYS HGy 1.0 . 4.95 2227 1833 A 34 HIS HA A 33 LYS HGx 1.0 . 5.35 2228 1833 A 34 HIS HA A 33 LYS HGy 1.0 . 5.35 2229 1834 A 34 HIS HD2 A 33 LYS HGx 1.0 . 5.70 2230 1834 A 34 HIS HD2 A 33 LYS HGy 1.0 . 5.70 2231 1835 A 35 ILE H A 33 LYS HGx 1.0 . 5.67 2232 1835 A 35 ILE H A 33 LYS HGy 1.0 . 5.67 2233 1836 A 34 HIS H A 37 ASP HBy 1.0 . 5.81 2234 1836 A 34 HIS H A 37 ASP HBx 1.0 . 5.81 2235 1837 A 34 HIS HA A 37 ASP HBy 1.0 . 3.51 2236 1837 A 34 HIS HA A 37 ASP HBx 1.0 . 3.51 2237 1838 A 35 ILE HA A 38 HIS HBx 1.0 . 5.72 2238 1838 A 35 ILE HA A 38 HIS HBy 1.0 . 5.72 2239 1839 A 35 ILE HG2% A 39 PHE HBy 1.0 . 4.56 2240 1839 A 35 ILE HG2% A 39 PHE HBx 1.0 . 4.56 2241 1840 A 36 LYS H A 35 ILE HG1x 1.0 . 5.81 2242 1840 A 36 LYS H A 35 ILE HG1y 1.0 . 5.81 2243 1841 A 39 PHE HD% A 35 ILE HG1x 1.0 . 4.86 2244 1841 A 39 PHE HD% A 35 ILE HG1y 1.0 . 4.86 2245 1842 A 52 TYR HE% A 35 ILE HG1x 1.0 . 5.81 2246 1842 A 52 TYR HE% A 35 ILE HG1y 1.0 . 5.81 2247 1843 A 55 PHE HZ A 35 ILE HG1x 1.0 . 3.86 2248 1843 A 55 PHE HZ A 35 ILE HG1y 1.0 . 3.86 2249 1844 A 75 ILE HD1% A 35 ILE HG1x 1.0 . 4.28 2250 1844 A 75 ILE HD1% A 35 ILE HG1y 1.0 . 4.28 2251 1845 A 35 ILE HD1% A 75 ILE HG1x 1.0 . 4.37 2252 1845 A 35 ILE HD1% A 75 ILE HG1y 1.0 . 4.37 2253 1846 A 36 LYS H A 36 LYS HBy 1.0 . 3.38 2254 1846 A 36 LYS H A 36 LYS HBx 1.0 . 3.38 2255 1847 A 36 LYS H A 36 LYS HGx 1.0 . 4.39 2256 1847 A 36 LYS H A 36 LYS HGy 1.0 . 4.39 2257 1848 A 36 LYS H A 36 LYS HEy 1.0 . 5.81 2258 1848 A 36 LYS H A 36 LYS HEx 1.0 . 5.81 2259 1849 A 36 LYS H A 37 ASP HBy 1.0 . 5.81 2260 1849 A 36 LYS H A 37 ASP HBx 1.0 . 5.81 2261 1850 A 36 LYS HA A 36 LYS HDx 1.0 . 5.18 2262 1850 A 36 LYS HA A 36 LYS HDy 1.0 . 5.18 2263 1851 A 36 LYS HBy A 36 LYS HEy 1.0 . 3.95 2264 1851 A 36 LYS HBx A 36 LYS HEy 1.0 . 3.95 2265 1851 A 36 LYS HEx A 36 LYS HBy 1.0 . 3.95 2266 1851 A 36 LYS HBx A 36 LYS HEx 1.0 . 3.95 2267 1852 A 37 ASP H A 36 LYS HBy 1.0 . 3.72 2268 1852 A 37 ASP H A 36 LYS HBx 1.0 . 3.72 2269 1853 A 37 ASP HA A 36 LYS HBy 1.0 . 4.89 2270 1853 A 37 ASP HA A 36 LYS HBx 1.0 . 4.89 2271 1854 A 37 ASP HA A 36 LYS HGx 1.0 . 5.26 2272 1854 A 37 ASP HA A 36 LYS HGy 1.0 . 5.26 2273 1855 A 40 ARG HA A 36 LYS HGx 1.0 . 5.51 2274 1855 A 40 ARG HA A 36 LYS HGy 1.0 . 5.51 2275 1856 A 37 ASP H A 37 ASP HBy 1.0 . 3.40 2276 1856 A 37 ASP H A 37 ASP HBx 1.0 . 3.40 2277 1857 A 37 ASP H A 38 HIS HBx 1.0 . 5.81 2278 1857 A 37 ASP H A 38 HIS HBy 1.0 . 5.81 2279 1858 A 37 ASP HA A 40 ARG HGx 1.0 . 4.25 2280 1858 A 37 ASP HA A 40 ARG HGy 1.0 . 4.25 2281 1859 A 37 ASP HA A 40 ARG HDx 1.0 . 5.05 2282 1859 A 37 ASP HA A 40 ARG HDy 1.0 . 5.05 2283 1860 A 38 HIS H A 37 ASP HBy 1.0 . 4.42 2284 1860 A 38 HIS H A 37 ASP HBx 1.0 . 4.42 2285 1861 A 38 HIS H A 38 HIS HBx 1.0 . 3.48 2286 1861 A 38 HIS H A 38 HIS HBy 1.0 . 3.48 2287 1862 A 38 HIS H A 39 PHE HBy 1.0 . 5.63 2288 1862 A 38 HIS H A 39 PHE HBx 1.0 . 5.63 2289 1863 A 38 HIS H A 40 ARG HGx 1.0 . 5.75 2290 1863 A 38 HIS H A 40 ARG HGy 1.0 . 5.75 2291 1864 A 39 PHE HD% A 38 HIS HBx 1.0 . 4.11 2292 1864 A 39 PHE HD% A 38 HIS HBy 1.0 . 4.11 2293 1865 A 39 PHE HZ A 38 HIS HBx 1.0 . 5.06 2294 1865 A 39 PHE HZ A 38 HIS HBy 1.0 . 5.06 2295 1866 A 55 PHE HD% A 38 HIS HBx 1.0 . 3.87 2296 1866 A 55 PHE HD% A 38 HIS HBy 1.0 . 3.87 2297 1867 A 55 PHE HE% A 38 HIS HBx 1.0 . 5.08 2298 1867 A 55 PHE HE% A 38 HIS HBy 1.0 . 5.08 2299 1868 A 38 HIS HE1 A 58 GLU HGy 1.0 . 5.76 2300 1868 A 38 HIS HE1 A 58 GLU HGx 1.0 . 5.76 2301 1869 A 39 PHE H A 40 ARG HGx 1.0 . 5.67 2302 1869 A 39 PHE H A 40 ARG HGy 1.0 . 5.67 2303 1870 A 39 PHE HA A 42 LYS HBx 1.0 . 4.45 2304 1870 A 39 PHE HA A 42 LYS HBy 1.0 . 4.45 2305 1871 A 39 PHE HBx A 42 LYS HBx 1.0 . 4.42 2306 1871 A 39 PHE HBy A 42 LYS HBx 1.0 . 4.42 2307 1871 A 42 LYS HBy A 39 PHE HBy 1.0 . 4.42 2308 1871 A 39 PHE HBx A 42 LYS HBy 1.0 . 4.42 2309 1872 A 47 ILE HD1% A 39 PHE HBy 1.0 . 5.32 2310 1872 A 47 ILE HD1% A 39 PHE HBx 1.0 . 5.32 2311 1873 A 39 PHE HD% A 42 LYS HBx 1.0 . 3.82 2312 1873 A 39 PHE HD% A 42 LYS HBy 1.0 . 3.82 2313 1874 A 39 PHE HE% A 51 GLU HBx 1.0 . 3.86 2314 1874 A 39 PHE HE% A 51 GLU HBy 1.0 . 3.86 2315 1875 A 39 PHE HE% A 51 GLU HGx 1.0 . 4.14 2316 1875 A 39 PHE HE% A 51 GLU HGy 1.0 . 4.14 2317 1876 A 40 ARG H A 40 ARG HGx 1.0 . 3.93 2318 1876 A 40 ARG H A 40 ARG HGy 1.0 . 3.93 2319 1877 A 40 ARG H A 40 ARG HDx 1.0 . 5.21 2320 1877 A 40 ARG H A 40 ARG HDy 1.0 . 5.21 2321 1878 A 40 ARG HA A 40 ARG HDx 1.0 . 4.58 2322 1878 A 40 ARG HA A 40 ARG HDy 1.0 . 4.58 2323 1879 A 41 HIS H A 40 ARG HGx 1.0 . 4.99 2324 1879 A 41 HIS H A 40 ARG HGy 1.0 . 4.99 2325 1880 A 41 HIS HD2 A 41 HIS HBy 1.0 . 3.37 2326 1880 A 41 HIS HD2 A 41 HIS HBx 1.0 . 3.37 2327 1881 A 42 LYS HBy A 42 LYS HEx 1.0 . 4.08 2328 1881 A 42 LYS HBx A 42 LYS HEx 1.0 . 4.08 2329 1881 A 42 LYS HEy A 42 LYS HBx 1.0 . 4.08 2330 1881 A 42 LYS HEy A 42 LYS HBy 1.0 . 4.08 2331 1882 A 43 LEU H A 42 LYS HBx 1.0 . 4.07 2332 1882 A 43 LEU H A 42 LYS HBy 1.0 . 4.07 2333 1883 A 47 ILE HD1% A 42 LYS HBx 1.0 . 3.97 2334 1883 A 47 ILE HD1% A 42 LYS HBy 1.0 . 3.97 2335 1884 A 42 LYS HG2 A 46 ASP HBy 1.0 . 5.81 2336 1884 A 42 LYS HG2 A 46 ASP HBx 1.0 . 5.81 2337 1885 A 42 LYS HDy A 46 ASP HBy 1.0 . 5.81 2338 1885 A 46 ASP HBx A 42 LYS HDx 1.0 . 5.81 2339 1885 A 42 LYS HDy A 46 ASP HBx 1.0 . 5.81 2340 1885 A 42 LYS HDx A 46 ASP HBy 1.0 . 5.81 2341 1886 A 42 LYS HEx A 46 ASP HBy 1.0 . 4.29 2342 1886 A 42 LYS HEy A 46 ASP HBy 1.0 . 4.29 2343 1886 A 46 ASP HBx A 42 LYS HEx 1.0 . 4.29 2344 1886 A 42 LYS HEy A 46 ASP HBx 1.0 . 4.29 2345 1887 A 43 LEU H A 43 LEU HBy 1.0 . 3.48 2346 1887 A 43 LEU H A 43 LEU HBx 1.0 . 3.48 2347 1888 A 43 LEU H A 46 ASP HBy 1.0 . 4.70 2348 1888 A 43 LEU H A 46 ASP HBx 1.0 . 4.70 2349 1889 A 43 LEU HBy A 45 LYS HGx 1.0 . 4.11 2350 1889 A 43 LEU HBx A 45 LYS HGx 1.0 . 4.11 2351 1889 A 45 LYS HGy A 43 LEU HBy 1.0 . 4.11 2352 1889 A 43 LEU HBx A 45 LYS HGy 1.0 . 4.11 2353 1890 A 46 ASP H A 43 LEU HBy 1.0 . 4.09 2354 1890 A 46 ASP H A 43 LEU HBx 1.0 . 4.09 2355 1891 A 43 LEU HBy A 46 ASP HBy 1.0 . 4.08 2356 1891 A 43 LEU HBx A 46 ASP HBy 1.0 . 4.08 2357 1891 A 46 ASP HBx A 43 LEU HBy 1.0 . 4.08 2358 1891 A 43 LEU HBx A 46 ASP HBx 1.0 . 4.08 2359 1892 A 43 LEU HG A 46 ASP HBy 1.0 . 5.04 2360 1892 A 43 LEU HG A 46 ASP HBx 1.0 . 5.04 2361 1893 A 43 LEU HD1% A 45 LYS HGx 1.0 . 4.14 2362 1893 A 43 LEU HD1% A 45 LYS HGy 1.0 . 4.14 2363 1894 A 43 LEU HD1% A 45 LYS HDx 1.0 . 4.74 2364 1894 A 43 LEU HD1% A 45 LYS HDy 1.0 . 4.74 2365 1895 A 43 LEU HD1% A 45 LYS HEx 1.0 . 4.22 2366 1895 A 43 LEU HD1% A 45 LYS HEy 1.0 . 4.22 2367 1896 A 43 LEU HD1% A 46 ASP HBy 1.0 . 3.88 2368 1896 A 43 LEU HD1% A 46 ASP HBx 1.0 . 3.88 2369 1897 A 44 LEU H A 45 LYS HBx 1.0 . 5.21 2370 1897 A 44 LEU H A 45 LYS HBy 1.0 . 5.21 2371 1898 A 44 LEU H A 45 LYS HGx 1.0 . 4.63 2372 1898 A 44 LEU H A 45 LYS HGy 1.0 . 4.63 2373 1899 A 44 LEU H A 88 VAL HGy% 1.0 . 5.49 2374 1899 A 44 LEU H A 88 VAL HGx% 1.0 . 5.49 2375 1900 A 44 LEU HA A 44 LEU HDx% 1.0 . 4.29 2376 1900 A 44 LEU HA A 44 LEU HDy% 1.0 . 4.29 2377 1901 A 44 LEU HA A 47 ILE HG1x 1.0 . 4.68 2378 1901 A 44 LEU HA A 47 ILE HG1y 1.0 . 4.68 2379 1902 A 79 PHE HE% A 44 LEU HBy 1.0 . 4.81 2380 1902 A 79 PHE HE% A 44 LEU HBx 1.0 . 4.81 2381 1903 A 87 TYR HD% A 44 LEU HBy 1.0 . 5.81 2382 1903 A 87 TYR HD% A 44 LEU HBx 1.0 . 5.81 2383 1904 A 44 LEU HBx A 88 VAL HGy% 1.0 . 4.90 2384 1904 A 44 LEU HBy A 88 VAL HGy% 1.0 . 4.90 2385 1904 A 88 VAL HGx% A 44 LEU HBy 1.0 . 4.90 2386 1904 A 44 LEU HBx A 88 VAL HGx% 1.0 . 4.90 2387 1905 A 44 LEU HG A 88 VAL HGy% 1.0 . 4.31 2388 1905 A 44 LEU HG A 88 VAL HGx% 1.0 . 4.31 2389 1906 A 79 PHE HE% A 44 LEU HDx% 1.0 . 5.21 2390 1906 A 79 PHE HE% A 44 LEU HDy% 1.0 . 5.21 2391 1907 A 79 PHE HZ A 44 LEU HDx% 1.0 . 3.85 2392 1907 A 79 PHE HZ A 44 LEU HDy% 1.0 . 3.85 2393 1908 A 82 ALA HB% A 44 LEU HDx% 1.0 . 5.40 2394 1908 A 82 ALA HB% A 44 LEU HDy% 1.0 . 5.40 2395 1909 A 44 LEU HDx% A 87 TYR HBx 1.0 . 5.92 2396 1909 A 44 LEU HDy% A 87 TYR HBx 1.0 . 5.92 2397 1909 A 87 TYR HBy A 44 LEU HDx% 1.0 . 5.92 2398 1909 A 87 TYR HBy A 44 LEU HDy% 1.0 . 5.92 2399 1910 A 45 LYS HA A 45 LYS HDx 1.0 . 4.75 2400 1910 A 45 LYS HA A 45 LYS HDy 1.0 . 4.75 2401 1911 A 45 LYS HA A 88 VAL HGy% 1.0 . 3.77 2402 1911 A 45 LYS HA A 88 VAL HGx% 1.0 . 3.77 2403 1912 A 45 LYS HBx A 45 LYS HEx 1.0 . 3.98 2404 1912 A 45 LYS HBy A 45 LYS HEx 1.0 . 3.98 2405 1912 A 45 LYS HEy A 45 LYS HBx 1.0 . 3.98 2406 1912 A 45 LYS HEy A 45 LYS HBy 1.0 . 3.98 2407 1913 A 45 LYS HBx A 88 VAL HGy% 1.0 . 5.13 2408 1913 A 45 LYS HBy A 88 VAL HGy% 1.0 . 5.13 2409 1913 A 88 VAL HGx% A 45 LYS HBx 1.0 . 5.13 2410 1913 A 45 LYS HBy A 88 VAL HGx% 1.0 . 5.13 2411 1914 A 46 ASP HA A 45 LYS HGx 1.0 . 5.51 2412 1914 A 45 LYS HGy A 46 ASP HA 1.0 . 5.51 2413 1915 A 45 LYS HGx A 46 ASP HBy 1.0 . 4.26 2414 1915 A 45 LYS HGy A 46 ASP HBy 1.0 . 4.26 2415 1915 A 46 ASP HBx A 45 LYS HGx 1.0 . 4.26 2416 1915 A 46 ASP HBx A 45 LYS HGy 1.0 . 4.26 2417 1916 A 88 VAL HB A 45 LYS HGx 1.0 . 5.81 2418 1916 A 45 LYS HGy A 88 VAL HB 1.0 . 5.81 2419 1917 A 45 LYS HGy A 88 VAL HGy% 1.0 . 4.81 2420 1917 A 45 LYS HGx A 88 VAL HGy% 1.0 . 4.81 2421 1917 A 88 VAL HGx% A 45 LYS HGx 1.0 . 4.81 2422 1917 A 45 LYS HGy A 88 VAL HGx% 1.0 . 4.81 2423 1918 A 46 ASP HA A 45 LYS HEx 1.0 . 5.09 2424 1918 A 45 LYS HEy A 46 ASP HA 1.0 . 5.09 2425 1919 A 45 LYS HEy A 88 VAL HGy% 1.0 . 5.28 2426 1919 A 45 LYS HEx A 88 VAL HGy% 1.0 . 5.28 2427 1919 A 88 VAL HGx% A 45 LYS HEx 1.0 . 5.28 2428 1919 A 45 LYS HEy A 88 VAL HGx% 1.0 . 5.28 2429 1920 A 89 ILE HG2% A 45 LYS HEx 1.0 . 5.81 2430 1920 A 89 ILE HG2% A 45 LYS HEy 1.0 . 5.81 2431 1921 A 46 ASP H A 46 ASP HBy 1.0 . 3.65 2432 1921 A 46 ASP H A 46 ASP HBx 1.0 . 3.65 2433 1922 A 46 ASP H A 47 ILE HG1x 1.0 . 5.81 2434 1922 A 46 ASP H A 47 ILE HG1y 1.0 . 5.81 2435 1923 A 46 ASP H A 88 VAL HGy% 1.0 . 5.92 2436 1923 A 46 ASP H A 88 VAL HGx% 1.0 . 5.92 2437 1924 A 47 ILE HD1% A 46 ASP HBy 1.0 . 5.14 2438 1924 A 47 ILE HD1% A 46 ASP HBx 1.0 . 5.14 2439 1925 A 47 ILE H A 47 ILE HG1x 1.0 . 3.99 2440 1925 A 47 ILE H A 47 ILE HG1y 1.0 . 3.99 2441 1926 A 47 ILE HA A 48 LYS HGx 1.0 . 5.81 2442 1926 A 47 ILE HA A 48 LYS HGy 1.0 . 5.81 2443 1927 A 47 ILE HA A 51 GLU HBx 1.0 . 5.68 2444 1927 A 47 ILE HA A 51 GLU HBy 1.0 . 5.68 2445 1928 A 47 ILE HG2% A 51 GLU HBx 1.0 . 4.61 2446 1928 A 47 ILE HG2% A 51 GLU HBy 1.0 . 4.61 2447 1929 A 47 ILE HG2% A 51 GLU HGx 1.0 . 5.30 2448 1929 A 47 ILE HG2% A 51 GLU HGy 1.0 . 5.30 2449 1930 A 47 ILE HG2% A 52 TYR HBy 1.0 . 4.19 2450 1930 A 47 ILE HG2% A 52 TYR HBx 1.0 . 4.19 2451 1931 A 47 ILE HG2% A 92 PRO HBx 1.0 . 4.80 2452 1931 A 47 ILE HG2% A 92 PRO HBy 1.0 . 4.80 2453 1932 A 47 ILE HG2% A 92 PRO HGy 1.0 . 4.52 2454 1932 A 47 ILE HG2% A 92 PRO HGx 1.0 . 4.52 2455 1933 A 79 PHE HE% A 47 ILE HG1x 1.0 . 5.81 2456 1933 A 79 PHE HE% A 47 ILE HG1y 1.0 . 5.81 2457 1934 A 79 PHE HZ A 47 ILE HG1x 1.0 . 4.99 2458 1934 A 79 PHE HZ A 47 ILE HG1y 1.0 . 4.99 2459 1935 A 48 LYS H A 48 LYS HGx 1.0 . 4.25 2460 1935 A 48 LYS H A 48 LYS HGy 1.0 . 4.25 2461 1936 A 48 LYS H A 51 GLU HBx 1.0 . 4.46 2462 1936 A 48 LYS H A 51 GLU HBy 1.0 . 4.46 2463 1937 A 48 LYS H A 51 GLU HGx 1.0 . 4.74 2464 1937 A 48 LYS H A 51 GLU HGy 1.0 . 4.74 2465 1938 A 48 LYS HA A 92 PRO HBx 1.0 . 5.37 2466 1938 A 48 LYS HA A 92 PRO HBy 1.0 . 5.37 2467 1939 A 48 LYS HBy A 48 LYS HEx 1.0 . 4.95 2468 1939 A 48 LYS HEy A 48 LYS HBy 1.0 . 4.95 2469 1939 A 48 LYS HBx A 48 LYS HEy 1.0 . 4.95 2470 1939 A 48 LYS HBx A 48 LYS HEx 1.0 . 4.95 2471 1940 A 50 THR H A 48 LYS HBy 1.0 . 5.81 2472 1940 A 50 THR H A 48 LYS HBx 1.0 . 5.81 2473 1941 A 51 GLU H A 48 LYS HBy 1.0 . 4.32 2474 1941 A 51 GLU H A 48 LYS HBx 1.0 . 4.32 2475 1942 A 48 LYS HBx A 51 GLU HBx 1.0 . 4.02 2476 1942 A 48 LYS HBy A 51 GLU HBx 1.0 . 4.02 2477 1942 A 51 GLU HBy A 48 LYS HBy 1.0 . 4.02 2478 1942 A 51 GLU HBy A 48 LYS HBx 1.0 . 4.02 2479 1943 A 48 LYS HBy A 51 GLU HGx 1.0 . 4.60 2480 1943 A 48 LYS HBx A 51 GLU HGx 1.0 . 4.60 2481 1943 A 51 GLU HGy A 48 LYS HBy 1.0 . 4.60 2482 1943 A 51 GLU HGy A 48 LYS HBx 1.0 . 4.60 2483 1944 A 51 GLU H A 48 LYS HGx 1.0 . 5.65 2484 1944 A 51 GLU H A 48 LYS HGy 1.0 . 5.65 2485 1945 A 49 ARG HA A 49 ARG HGy 1.0 . 3.57 2486 1945 A 49 ARG HA A 49 ARG HGx 1.0 . 3.57 2487 1946 A 49 ARG HA A 52 TYR HBy 1.0 . 3.94 2488 1946 A 49 ARG HA A 52 TYR HBx 1.0 . 3.94 2489 1947 A 49 ARG HA A 92 PRO HBx 1.0 . 4.21 2490 1947 A 49 ARG HA A 92 PRO HBy 1.0 . 4.21 2491 1948 A 50 THR H A 49 ARG HGy 1.0 . 5.81 2492 1948 A 50 THR H A 49 ARG HGx 1.0 . 5.81 2493 1949 A 53 GLN H A 49 ARG HGy 1.0 . 5.81 2494 1949 A 53 GLN H A 49 ARG HGx 1.0 . 5.81 2495 1950 A 92 PRO HA A 49 ARG HGy 1.0 . 4.42 2496 1950 A 92 PRO HA A 49 ARG HGx 1.0 . 4.42 2497 1951 A 50 THR HA A 53 GLN HGx 1.0 . 5.81 2498 1951 A 50 THR HA A 53 GLN HGy 1.0 . 5.81 2499 1952 A 50 THR HG2% A 53 GLN HBy 1.0 . 5.61 2500 1952 A 50 THR HG2% A 53 GLN HBx 1.0 . 5.61 2501 1953 A 50 THR HG2% A 53 GLN HGx 1.0 . 5.34 2502 1953 A 50 THR HG2% A 53 GLN HGy 1.0 . 5.34 2503 1954 A 51 GLU H A 51 GLU HBx 1.0 . 3.69 2504 1954 A 51 GLU H A 51 GLU HBy 1.0 . 3.69 2505 1955 A 51 GLU HA A 51 GLU HGx 1.0 . 3.40 2506 1955 A 51 GLU HA A 51 GLU HGy 1.0 . 3.40 2507 1956 A 51 GLU HA A 54 LYS HGx 1.0 . 5.81 2508 1956 A 51 GLU HA A 54 LYS HGy 1.0 . 5.81 2509 1957 A 52 TYR H A 51 GLU HBx 1.0 . 3.93 2510 1957 A 52 TYR H A 51 GLU HBy 1.0 . 3.93 2511 1958 A 54 LYS H A 51 GLU HBx 1.0 . 5.81 2512 1958 A 54 LYS H A 51 GLU HBy 1.0 . 5.81 2513 1959 A 52 TYR H A 51 GLU HGx 1.0 . 5.18 2514 1959 A 52 TYR H A 51 GLU HGy 1.0 . 5.18 2515 1960 A 54 LYS H A 51 GLU HGx 1.0 . 5.81 2516 1960 A 54 LYS H A 51 GLU HGy 1.0 . 5.81 2517 1961 A 53 GLN H A 52 TYR HBy 1.0 . 4.19 2518 1961 A 53 GLN H A 52 TYR HBx 1.0 . 4.19 2519 1962 A 54 LYS H A 52 TYR HBy 1.0 . 5.81 2520 1962 A 54 LYS H A 52 TYR HBx 1.0 . 5.81 2521 1963 A 52 TYR HBy A 92 PRO HBx 1.0 . 5.56 2522 1963 A 52 TYR HBx A 92 PRO HBx 1.0 . 5.56 2523 1963 A 92 PRO HBy A 52 TYR HBy 1.0 . 5.56 2524 1963 A 52 TYR HBx A 92 PRO HBy 1.0 . 5.56 2525 1964 A 93 THR H A 52 TYR HBy 1.0 . 5.81 2526 1964 A 93 THR H A 52 TYR HBx 1.0 . 5.81 2527 1965 A 52 TYR HE% A 75 ILE HG1x 1.0 . 5.16 2528 1965 A 52 TYR HE% A 75 ILE HG1y 1.0 . 5.16 2529 1966 A 52 TYR HH A 72 ASN HBy 1.0 . 5.80 2530 1966 A 52 TYR HH A 72 ASN HBx 1.0 . 5.80 2531 1967 A 53 GLN H A 53 GLN HBy 1.0 . 3.50 2532 1967 A 53 GLN H A 53 GLN HBx 1.0 . 3.50 2533 1968 A 53 GLN H A 53 GLN HGx 1.0 . 4.53 2534 1968 A 53 GLN H A 53 GLN HGy 1.0 . 4.53 2535 1969 A 53 GLN H A 53 GLN HE2x 1.0 . 5.81 2536 1969 A 53 GLN H A 53 GLN HE2y 1.0 . 5.81 2537 1970 A 53 GLN H A 92 PRO HBx 1.0 . 5.81 2538 1970 A 53 GLN H A 92 PRO HBy 1.0 . 5.81 2539 1971 A 53 GLN HE2x A 53 GLN HA 1.0 . 4.78 2540 1971 A 53 GLN HA A 53 GLN HE2y 1.0 . 4.78 2541 1972 A 53 GLN HA A 56 LEU HBx 1.0 . 4.37 2542 1972 A 53 GLN HA A 56 LEU HBy 1.0 . 4.37 2543 1973 A 54 LYS H A 53 GLN HBy 1.0 . 3.95 2544 1973 A 54 LYS H A 53 GLN HBx 1.0 . 3.95 2545 1974 A 54 LYS H A 53 GLN HGx 1.0 . 4.83 2546 1974 A 54 LYS H A 53 GLN HGy 1.0 . 4.83 2547 1975 A 54 LYS HA A 53 GLN HGx 1.0 . 5.81 2548 1975 A 54 LYS HA A 53 GLN HGy 1.0 . 5.81 2549 1976 A 57 ASN HD2x A 53 GLN HGx 1.0 . 4.25 2550 1976 A 57 ASN HD2y A 53 GLN HGy 1.0 . 4.25 2551 1976 A 57 ASN HD2y A 53 GLN HGx 1.0 . 4.25 2552 1976 A 57 ASN HD2x A 53 GLN HGy 1.0 . 4.25 2553 1977 A 53 GLN HE2x A 54 LYS H 1.0 . 5.09 2554 1977 A 54 LYS H A 53 GLN HE2y 1.0 . 5.09 2555 1978 A 53 GLN HE2x A 56 LEU HBx 1.0 . 5.60 2556 1978 A 53 GLN HE2x A 56 LEU HBy 1.0 . 5.60 2557 1978 A 53 GLN HE2y A 56 LEU HBy 1.0 . 5.60 2558 1978 A 53 GLN HE2y A 56 LEU HBx 1.0 . 5.60 2559 1979 A 53 GLN HE2x A 56 LEU HD1% 1.0 . 5.81 2560 1979 A 56 LEU HD1% A 53 GLN HE2y 1.0 . 5.81 2561 1980 A 53 GLN HE2x A 57 ASN H 1.0 . 5.42 2562 1980 A 57 ASN H A 53 GLN HE2y 1.0 . 5.42 2563 1981 A 53 GLN HE2x A 57 ASN HD2x 1.0 . 5.61 2564 1981 A 53 GLN HE2x A 57 ASN HD2y 1.0 . 5.61 2565 1981 A 57 ASN HD2y A 53 GLN HE2y 1.0 . 5.61 2566 1981 A 57 ASN HD2x A 53 GLN HE2y 1.0 . 5.61 2567 1982 A 53 GLN HE2x A 97 GLU HBy 1.0 . 4.92 2568 1982 A 53 GLN HE2y A 97 GLU HBx 1.0 . 4.92 2569 1982 A 97 GLU HBy A 53 GLN HE2y 1.0 . 4.92 2570 1982 A 53 GLN HE2x A 97 GLU HBx 1.0 . 4.92 2571 1983 A 54 LYS H A 54 LYS HGx 1.0 . 4.03 2572 1983 A 54 LYS H A 54 LYS HGy 1.0 . 4.03 2573 1984 A 54 LYS HA A 57 ASN HBy 1.0 . 3.99 2574 1984 A 54 LYS HA A 57 ASN HBx 1.0 . 3.99 2575 1985 A 54 LYS HA A 57 ASN HD2y 1.0 . 4.41 2576 1985 A 54 LYS HA A 57 ASN HD2x 1.0 . 4.41 2577 1986 A 54 LYS HEx A 54 LYS HGx 1.0 . 3.54 2578 1986 A 54 LYS HEy A 54 LYS HGx 1.0 . 3.54 2579 1986 A 54 LYS HGy A 54 LYS HEx 1.0 . 3.54 2580 1986 A 54 LYS HEy A 54 LYS HGy 1.0 . 3.54 2581 1987 A 55 PHE H A 54 LYS HGx 1.0 . 5.81 2582 1987 A 55 PHE H A 54 LYS HGy 1.0 . 5.81 2583 1988 A 55 PHE HA A 58 GLU HGy 1.0 . 5.81 2584 1988 A 55 PHE HA A 58 GLU HGx 1.0 . 5.81 2585 1989 A 56 LEU H A 56 LEU HBx 1.0 . 3.65 2586 1989 A 56 LEU H A 56 LEU HBy 1.0 . 3.65 2587 1990 A 56 LEU HA A 59 TYR HBy 1.0 . 4.22 2588 1990 A 56 LEU HA A 59 TYR HBx 1.0 . 4.22 2589 1991 A 57 ASN H A 56 LEU HBx 1.0 . 4.08 2590 1991 A 57 ASN H A 56 LEU HBy 1.0 . 4.08 2591 1992 A 58 GLU H A 56 LEU HBx 1.0 . 5.81 2592 1992 A 58 GLU H A 56 LEU HBy 1.0 . 5.81 2593 1993 A 56 LEU HD1% A 72 ASN HBy 1.0 . 5.04 2594 1993 A 56 LEU HD1% A 72 ASN HBx 1.0 . 5.04 2595 1994 A 56 LEU HD1% A 72 ASN HD2x 1.0 . 5.07 2596 1994 A 56 LEU HD1% A 72 ASN HD2y 1.0 . 5.07 2597 1995 A 56 LEU HD2% A 59 TYR HBy 1.0 . 5.67 2598 1995 A 56 LEU HD2% A 59 TYR HBx 1.0 . 5.67 2599 1996 A 56 LEU HD2% A 72 ASN HBy 1.0 . 4.45 2600 1996 A 56 LEU HD2% A 72 ASN HBx 1.0 . 4.45 2601 1997 A 56 LEU HD2% A 72 ASN HD2x 1.0 . 5.35 2602 1997 A 56 LEU HD2% A 72 ASN HD2y 1.0 . 5.35 2603 1998 A 57 ASN H A 57 ASN HBy 1.0 . 3.64 2604 1998 A 57 ASN H A 57 ASN HBx 1.0 . 3.64 2605 1999 A 57 ASN H A 57 ASN HD2y 1.0 . 5.21 2606 1999 A 57 ASN H A 57 ASN HD2x 1.0 . 5.21 2607 2000 A 57 ASN HD2y A 57 ASN HA 1.0 . 4.77 2608 2000 A 57 ASN HD2x A 57 ASN HA 1.0 . 4.77 2609 2001 A 58 GLU H A 57 ASN HBy 1.0 . 4.02 2610 2001 A 58 GLU H A 57 ASN HBx 1.0 . 4.02 2611 2002 A 58 GLU HA A 57 ASN HBy 1.0 . 5.43 2612 2002 A 58 GLU HA A 57 ASN HBx 1.0 . 5.43 2613 2003 A 58 GLU H A 61 LEU HBx 1.0 . 5.81 2614 2003 A 58 GLU H A 61 LEU HBy 1.0 . 5.81 2615 2004 A 59 TYR H A 58 GLU HGy 1.0 . 5.74 2616 2004 A 59 TYR H A 58 GLU HGx 1.0 . 5.74 2617 2005 A 61 LEU HD1% A 58 GLU HGy 1.0 . 4.39 2618 2005 A 61 LEU HD1% A 58 GLU HGx 1.0 . 4.39 2619 2006 A 60 GLY H A 59 TYR HBy 1.0 . 4.29 2620 2006 A 60 GLY H A 59 TYR HBx 1.0 . 4.29 2621 2007 A 68 ILE HG2% A 59 TYR HBy 1.0 . 5.81 2622 2007 A 68 ILE HG2% A 59 TYR HBx 1.0 . 5.81 2623 2008 A 68 ILE HD1% A 59 TYR HBy 1.0 . 5.45 2624 2008 A 68 ILE HD1% A 59 TYR HBx 1.0 . 5.45 2625 2009 A 71 LEU HD2% A 59 TYR HBy 1.0 . 5.09 2626 2009 A 71 LEU HD2% A 59 TYR HBx 1.0 . 5.09 2627 2010 A 59 TYR HD% A 60 GLY HAy 1.0 . 3.72 2628 2010 A 59 TYR HD% A 60 GLY HAx 1.0 . 3.72 2629 2011 A 59 TYR HD% A 63 HIS HBy 1.0 . 3.97 2630 2011 A 59 TYR HD% A 63 HIS HBx 1.0 . 3.97 2631 2012 A 59 TYR HE% A 63 HIS HBy 1.0 . 3.80 2632 2012 A 59 TYR HE% A 63 HIS HBx 1.0 . 3.80 2633 2013 A 59 TYR HE% A 71 LEU HBx 1.0 . 3.73 2634 2013 A 59 TYR HE% A 71 LEU HBy 1.0 . 3.73 2635 2014 A 62 THR H A 60 GLY HAy 1.0 . 5.80 2636 2014 A 62 THR H A 60 GLY HAx 1.0 . 5.80 2637 2015 A 63 HIS H A 60 GLY HAy 1.0 . 4.34 2638 2015 A 63 HIS H A 60 GLY HAx 1.0 . 4.34 2639 2016 A 68 ILE HG12 A 60 GLY HAy 1.0 . 5.71 2640 2016 A 68 ILE HG12 A 60 GLY HAx 1.0 . 5.71 2641 2017 A 100 ALA HA A 60 GLY HAy 1.0 . 3.95 2642 2017 A 100 ALA HA A 60 GLY HAx 1.0 . 3.95 2643 2018 A 100 ALA HB% A 60 GLY HAy 1.0 . 5.12 2644 2018 A 100 ALA HB% A 60 GLY HAx 1.0 . 5.12 2645 2019 A 61 LEU H A 61 LEU HBx 1.0 . 3.46 2646 2019 A 61 LEU H A 61 LEU HBy 1.0 . 3.46 2647 2020 A 61 LEU HD2% A 61 LEU HBx 1.0 . 3.31 2648 2020 A 61 LEU HD2% A 61 LEU HBy 1.0 . 3.31 2649 2021 A 62 THR H A 61 LEU HBx 1.0 . 4.20 2650 2021 A 62 THR H A 61 LEU HBy 1.0 . 4.20 2651 2022 A 62 THR HG2% A 61 LEU HBx 1.0 . 3.66 2652 2022 A 62 THR HG2% A 61 LEU HBy 1.0 . 3.66 2653 2023 A 102 VAL HG2% A 61 LEU HBx 1.0 . 5.37 2654 2023 A 102 VAL HG2% A 61 LEU HBy 1.0 . 5.37 2655 2024 A 63 HIS HD2 A 63 HIS HBy 1.0 . 3.40 2656 2024 A 63 HIS HD2 A 63 HIS HBx 1.0 . 3.40 2657 2025 A 64 SER H A 63 HIS HBy 1.0 . 4.16 2658 2025 A 64 SER H A 63 HIS HBx 1.0 . 4.16 2659 2026 A 67 THR HB A 63 HIS HBy 1.0 . 3.98 2660 2026 A 67 THR HB A 63 HIS HBx 1.0 . 3.98 2661 2027 A 67 THR HG2% A 63 HIS HBy 1.0 . 3.96 2662 2027 A 67 THR HG2% A 63 HIS HBx 1.0 . 3.96 2663 2028 A 68 ILE H A 63 HIS HBy 1.0 . 5.81 2664 2028 A 68 ILE H A 63 HIS HBx 1.0 . 5.81 2665 2029 A 68 ILE HG2% A 63 HIS HBy 1.0 . 5.05 2666 2029 A 68 ILE HG2% A 63 HIS HBx 1.0 . 5.05 2667 2030 A 68 ILE HD1% A 63 HIS HBy 1.0 . 5.81 2668 2030 A 68 ILE HD1% A 63 HIS HBx 1.0 . 5.81 2669 2031 A 102 VAL HG2% A 63 HIS HBy 1.0 . 5.58 2670 2031 A 102 VAL HG2% A 63 HIS HBx 1.0 . 5.58 2671 2032 A 64 SER HA A 65 TYR HBy 1.0 . 5.19 2672 2032 A 64 SER HA A 65 TYR HBx 1.0 . 5.19 2673 2033 A 65 TYR H A 64 SER HBx 1.0 . 3.96 2674 2033 A 65 TYR H A 64 SER HBy 1.0 . 3.96 2675 2034 A 66 GLU H A 64 SER HBx 1.0 . 4.09 2676 2034 A 66 GLU H A 64 SER HBy 1.0 . 4.09 2677 2035 A 67 THR H A 64 SER HBx 1.0 . 4.18 2678 2035 A 67 THR H A 64 SER HBy 1.0 . 4.18 2679 2036 A 102 VAL HG1% A 64 SER HBx 1.0 . 5.81 2680 2036 A 102 VAL HG1% A 64 SER HBy 1.0 . 5.81 2681 2037 A 66 GLU H A 65 TYR HBy 1.0 . 3.92 2682 2037 A 66 GLU H A 65 TYR HBx 1.0 . 3.92 2683 2038 A 66 GLU HA A 65 TYR HBy 1.0 . 5.73 2684 2038 A 66 GLU HA A 65 TYR HBx 1.0 . 5.73 2685 2039 A 68 ILE HG2% A 65 TYR HBy 1.0 . 5.43 2686 2039 A 68 ILE HG2% A 65 TYR HBx 1.0 . 5.43 2687 2040 A 100 ALA HB% A 65 TYR HBy 1.0 . 4.41 2688 2040 A 100 ALA HB% A 65 TYR HBx 1.0 . 4.41 2689 2041 A 65 TYR HD% A 69 ARG HGy 1.0 . 5.69 2690 2041 A 65 TYR HD% A 69 ARG HGx 1.0 . 5.69 2691 2042 A 65 TYR HD% A 69 ARG HDy 1.0 . 5.80 2692 2042 A 65 TYR HD% A 69 ARG HDx 1.0 . 5.80 2693 2043 A 65 TYR HD% A 98 LEU HBx 1.0 . 3.81 2694 2043 A 65 TYR HD% A 98 LEU HBy 1.0 . 3.81 2695 2044 A 65 TYR HE% A 69 ARG HBx 1.0 . 4.64 2696 2044 A 65 TYR HE% A 69 ARG HBy 1.0 . 4.64 2697 2045 A 65 TYR HE% A 69 ARG HGy 1.0 . 5.19 2698 2045 A 65 TYR HE% A 69 ARG HGx 1.0 . 5.19 2699 2046 A 65 TYR HE% A 69 ARG HDy 1.0 . 3.24 2700 2046 A 65 TYR HE% A 69 ARG HDx 1.0 . 3.24 2701 2047 A 65 TYR HE% A 98 LEU HBx 1.0 . 2.99 2702 2047 A 65 TYR HE% A 98 LEU HBy 1.0 . 2.99 2703 2048 A 66 GLU H A 66 GLU HBy 1.0 . 3.50 2704 2048 A 66 GLU H A 66 GLU HBx 1.0 . 3.50 2705 2049 A 66 GLU H A 69 ARG HBx 1.0 . 5.81 2706 2049 A 66 GLU H A 69 ARG HBy 1.0 . 5.81 2707 2050 A 66 GLU HA A 69 ARG HDy 1.0 . 4.96 2708 2050 A 66 GLU HA A 69 ARG HDx 1.0 . 4.96 2709 2051 A 68 ILE H A 66 GLU HBy 1.0 . 5.70 2710 2051 A 68 ILE H A 66 GLU HBx 1.0 . 5.70 2711 2052 A 66 GLU HBy A 70 LYS HEx 1.0 . 5.55 2712 2052 A 66 GLU HBx A 70 LYS HEx 1.0 . 5.55 2713 2052 A 70 LYS HEy A 66 GLU HBy 1.0 . 5.55 2714 2052 A 70 LYS HEy A 66 GLU HBx 1.0 . 5.55 2715 2053 A 66 GLU HG2 A 69 ARG HBx 1.0 . 5.81 2716 2053 A 66 GLU HG2 A 69 ARG HBy 1.0 . 5.81 2717 2054 A 66 GLU HG2 A 70 LYS HDy 1.0 . 5.29 2718 2054 A 66 GLU HG2 A 70 LYS HDx 1.0 . 5.29 2719 2055 A 66 GLU HG3 A 69 ARG HBx 1.0 . 5.81 2720 2055 A 66 GLU HG3 A 69 ARG HBy 1.0 . 5.81 2721 2056 A 67 THR H A 69 ARG HBx 1.0 . 5.45 2722 2056 A 67 THR H A 69 ARG HBy 1.0 . 5.45 2723 2057 A 67 THR HA A 69 ARG HBx 1.0 . 5.81 2724 2057 A 67 THR HA A 69 ARG HBy 1.0 . 5.81 2725 2058 A 67 THR HA A 70 LYS HBy 1.0 . 4.40 2726 2058 A 67 THR HA A 70 LYS HBx 1.0 . 4.40 2727 2059 A 68 ILE HA A 71 LEU HBx 1.0 . 4.00 2728 2059 A 68 ILE HA A 71 LEU HBy 1.0 . 4.00 2729 2060 A 68 ILE HG2% A 69 ARG HGy 1.0 . 5.60 2730 2060 A 68 ILE HG2% A 69 ARG HGx 1.0 . 5.60 2731 2061 A 68 ILE HG2% A 71 LEU HBx 1.0 . 5.73 2732 2061 A 68 ILE HG2% A 71 LEU HBy 1.0 . 5.73 2733 2062 A 68 ILE HG2% A 72 ASN HBy 1.0 . 5.81 2734 2062 A 68 ILE HG2% A 72 ASN HBx 1.0 . 5.81 2735 2063 A 68 ILE HG2% A 98 LEU HBx 1.0 . 3.90 2736 2063 A 68 ILE HG2% A 98 LEU HBy 1.0 . 3.90 2737 2064 A 68 ILE HD1% A 98 LEU HBx 1.0 . 4.66 2738 2064 A 68 ILE HD1% A 98 LEU HBy 1.0 . 4.66 2739 2065 A 69 ARG H A 69 ARG HGy 1.0 . 4.13 2740 2065 A 69 ARG H A 69 ARG HGx 1.0 . 4.13 2741 2066 A 69 ARG H A 69 ARG HDy 1.0 . 5.26 2742 2066 A 69 ARG H A 69 ARG HDx 1.0 . 5.26 2743 2067 A 69 ARG HA A 69 ARG HDy 1.0 . 5.00 2744 2067 A 69 ARG HA A 69 ARG HDx 1.0 . 5.00 2745 2068 A 69 ARG HA A 72 ASN HBy 1.0 . 4.55 2746 2068 A 69 ARG HA A 72 ASN HBx 1.0 . 4.55 2747 2069 A 69 ARG HBy A 69 ARG HDy 1.0 . 3.33 2748 2069 A 69 ARG HDx A 69 ARG HBx 1.0 . 3.33 2749 2069 A 69 ARG HDx A 69 ARG HBy 1.0 . 3.33 2750 2069 A 69 ARG HBx A 69 ARG HDy 1.0 . 3.33 2751 2070 A 70 LYS H A 69 ARG HBx 1.0 . 3.43 2752 2070 A 70 LYS H A 69 ARG HBy 1.0 . 3.43 2753 2071 A 98 LEU HD1% A 69 ARG HBx 1.0 . 4.72 2754 2071 A 98 LEU HD1% A 69 ARG HBy 1.0 . 4.72 2755 2072 A 98 LEU HD2% A 69 ARG HBx 1.0 . 5.40 2756 2072 A 98 LEU HD2% A 69 ARG HBy 1.0 . 5.40 2757 2073 A 70 LYS H A 69 ARG HGy 1.0 . 5.54 2758 2073 A 70 LYS H A 69 ARG HGx 1.0 . 5.54 2759 2074 A 73 SER H A 69 ARG HGy 1.0 . 5.81 2760 2074 A 73 SER H A 69 ARG HGx 1.0 . 5.81 2761 2075 A 98 LEU HD1% A 69 ARG HGy 1.0 . 3.97 2762 2075 A 98 LEU HD1% A 69 ARG HGx 1.0 . 3.97 2763 2076 A 98 LEU HD2% A 69 ARG HGy 1.0 . 5.06 2764 2076 A 98 LEU HD2% A 69 ARG HGx 1.0 . 5.06 2765 2077 A 98 LEU HD1% A 69 ARG HDy 1.0 . 5.22 2766 2077 A 98 LEU HD1% A 69 ARG HDx 1.0 . 5.22 2767 2078 A 70 LYS H A 70 LYS HBy 1.0 . 3.54 2768 2078 A 70 LYS H A 70 LYS HBx 1.0 . 3.54 2769 2079 A 70 LYS H A 70 LYS HDy 1.0 . 5.73 2770 2079 A 70 LYS H A 70 LYS HDx 1.0 . 5.73 2771 2080 A 70 LYS HA A 70 LYS HGy 1.0 . 3.74 2772 2080 A 70 LYS HA A 70 LYS HGx 1.0 . 3.74 2773 2081 A 70 LYS HA A 70 LYS HDy 1.0 . 5.24 2774 2081 A 70 LYS HA A 70 LYS HDx 1.0 . 5.24 2775 2082 A 70 LYS HBy A 70 LYS HEx 1.0 . 3.89 2776 2082 A 70 LYS HBx A 70 LYS HEx 1.0 . 3.89 2777 2082 A 70 LYS HEy A 70 LYS HBy 1.0 . 3.89 2778 2082 A 70 LYS HEy A 70 LYS HBx 1.0 . 3.89 2779 2083 A 71 LEU H A 70 LYS HBy 1.0 . 3.92 2780 2083 A 71 LEU H A 70 LYS HBx 1.0 . 3.92 2781 2084 A 74 TYR HE% A 70 LYS HBy 1.0 . 4.99 2782 2084 A 74 TYR HE% A 70 LYS HBx 1.0 . 4.99 2783 2085 A 71 LEU H A 70 LYS HGy 1.0 . 5.22 2784 2085 A 71 LEU H A 70 LYS HGx 1.0 . 5.22 2785 2086 A 73 SER H A 70 LYS HGy 1.0 . 5.81 2786 2086 A 73 SER H A 70 LYS HGx 1.0 . 5.81 2787 2087 A 74 TYR HE% A 70 LYS HGy 1.0 . 3.71 2788 2087 A 74 TYR HE% A 70 LYS HGx 1.0 . 3.71 2789 2088 A 71 LEU H A 72 ASN HBy 1.0 . 5.76 2790 2088 A 71 LEU H A 72 ASN HBx 1.0 . 5.76 2791 2089 A 72 ASN H A 71 LEU HBx 1.0 . 4.01 2792 2089 A 72 ASN H A 71 LEU HBy 1.0 . 4.01 2793 2090 A 73 SER H A 71 LEU HBx 1.0 . 5.75 2794 2090 A 73 SER H A 71 LEU HBy 1.0 . 5.75 2795 2091 A 71 LEU HD1% A 75 ILE HG1x 1.0 . 4.81 2796 2091 A 71 LEU HD1% A 75 ILE HG1y 1.0 . 4.81 2797 2092 A 72 ASN H A 72 ASN HD2x 1.0 . 5.17 2798 2092 A 72 ASN H A 72 ASN HD2y 1.0 . 5.17 2799 2093 A 73 SER H A 72 ASN HBy 1.0 . 3.96 2800 2093 A 73 SER H A 72 ASN HBx 1.0 . 3.96 2801 2094 A 98 LEU HD1% A 72 ASN HBy 1.0 . 5.04 2802 2094 A 98 LEU HD1% A 72 ASN HBx 1.0 . 5.04 2803 2095 A 98 LEU HD2% A 72 ASN HBy 1.0 . 4.06 2804 2095 A 98 LEU HD2% A 72 ASN HBx 1.0 . 4.06 2805 2096 A 72 ASN HD2x A 73 SER H 1.0 . 5.74 2806 2096 A 73 SER H A 72 ASN HD2y 1.0 . 5.74 2807 2097 A 72 ASN HD2x A 76 ARG HDx 1.0 . 4.99 2808 2097 A 72 ASN HD2x A 76 ARG HDy 1.0 . 4.99 2809 2097 A 72 ASN HD2y A 76 ARG HDy 1.0 . 4.99 2810 2097 A 72 ASN HD2y A 76 ARG HDx 1.0 . 4.99 2811 2098 A 72 ASN HD2x A 93 THR HG2% 1.0 . 5.16 2812 2098 A 93 THR HG2% A 72 ASN HD2y 1.0 . 5.16 2813 2099 A 72 ASN HD2x A 96 ALA HB% 1.0 . 4.50 2814 2099 A 72 ASN HD2y A 96 ALA HB% 1.0 . 4.50 2815 2100 A 72 ASN HD2x A 98 LEU HG 1.0 . 5.81 2816 2100 A 98 LEU HG A 72 ASN HD2y 1.0 . 5.81 2817 2101 A 72 ASN HD2x A 98 LEU HD1% 1.0 . 4.64 2818 2101 A 72 ASN HD2y A 98 LEU HD1% 1.0 . 4.64 2819 2102 A 73 SER HA A 76 ARG HBx 1.0 . 3.61 2820 2102 A 73 SER HA A 76 ARG HBy 1.0 . 3.61 2821 2103 A 74 TYR HA A 77 ASN HD2y 1.0 . 5.79 2822 2103 A 74 TYR HA A 77 ASN HD2x 1.0 . 5.79 2823 2104 A 74 TYR HBy A 75 ILE HG1x 1.0 . 5.44 2824 2104 A 74 TYR HBx A 75 ILE HG1x 1.0 . 5.44 2825 2104 A 75 ILE HG1y A 74 TYR HBx 1.0 . 5.44 2826 2104 A 74 TYR HBy A 75 ILE HG1y 1.0 . 5.44 2827 2105 A 75 ILE H A 75 ILE HG1x 1.0 . 4.08 2828 2105 A 75 ILE H A 75 ILE HG1y 1.0 . 4.08 2829 2106 A 76 ARG HA A 79 PHE HBy 1.0 . 4.73 2830 2106 A 76 ARG HA A 79 PHE HBx 1.0 . 4.73 2831 2107 A 76 ARG HA A 91 ASN HD2x 1.0 . 5.24 2832 2107 A 76 ARG HA A 91 ASN HD2y 1.0 . 5.24 2833 2108 A 77 ASN H A 76 ARG HBx 1.0 . 4.21 2834 2108 A 77 ASN H A 76 ARG HBy 1.0 . 4.21 2835 2109 A 93 THR HG2% A 76 ARG HBx 1.0 . 4.99 2836 2109 A 93 THR HG2% A 76 ARG HBy 1.0 . 4.99 2837 2110 A 77 ASN H A 76 ARG HGx 1.0 . 5.54 2838 2110 A 77 ASN H A 76 ARG HGy 1.0 . 5.54 2839 2111 A 91 ASN HD2x A 76 ARG HGx 1.0 . 5.15 2840 2111 A 91 ASN HD2x A 76 ARG HGy 1.0 . 5.15 2841 2111 A 91 ASN HD2y A 76 ARG HGx 1.0 . 5.15 2842 2111 A 91 ASN HD2y A 76 ARG HGy 1.0 . 5.15 2843 2112 A 93 THR HG1 A 76 ARG HGx 1.0 . 5.62 2844 2112 A 93 THR HG1 A 76 ARG HGy 1.0 . 5.62 2845 2113 A 77 ASN H A 77 ASN HBy 1.0 . 3.56 2846 2113 A 77 ASN H A 77 ASN HBx 1.0 . 3.56 2847 2114 A 77 ASN HA A 77 ASN HD2y 1.0 . 3.79 2848 2114 A 77 ASN HA A 77 ASN HD2x 1.0 . 3.79 2849 2115 A 77 ASN HA A 80 ASP HBy 1.0 . 3.37 2850 2115 A 77 ASN HA A 80 ASP HBx 1.0 . 3.37 2851 2116 A 77 ASN HD2y A 80 ASP HBx 1.0 . 5.61 2852 2116 A 77 ASN HD2x A 80 ASP HBy 1.0 . 5.61 2853 2116 A 77 ASN HD2x A 80 ASP HBx 1.0 . 5.61 2854 2116 A 77 ASN HD2y A 80 ASP HBy 1.0 . 5.61 2855 2117 A 78 ALA H A 79 PHE HBy 1.0 . 5.81 2856 2117 A 78 ALA H A 79 PHE HBx 1.0 . 5.81 2857 2118 A 78 ALA H A 80 ASP HBy 1.0 . 5.81 2858 2118 A 78 ALA H A 80 ASP HBx 1.0 . 5.81 2859 2119 A 78 ALA H A 81 ASP HBy 1.0 . 5.81 2860 2119 A 78 ALA H A 81 ASP HBx 1.0 . 5.81 2861 2120 A 78 ALA HA A 81 ASP HBy 1.0 . 4.91 2862 2120 A 78 ALA HA A 81 ASP HBx 1.0 . 4.91 2863 2121 A 78 ALA HB% A 79 PHE HBy 1.0 . 5.76 2864 2121 A 78 ALA HB% A 79 PHE HBx 1.0 . 5.76 2865 2122 A 78 ALA HB% A 81 ASP HBy 1.0 . 5.81 2866 2122 A 78 ALA HB% A 81 ASP HBx 1.0 . 5.81 2867 2123 A 83 ILE HD1% A 79 PHE HBy 1.0 . 5.81 2868 2123 A 83 ILE HD1% A 79 PHE HBx 1.0 . 5.81 2869 2124 A 79 PHE HBy A 88 VAL HGy% 1.0 . 5.73 2870 2124 A 79 PHE HBx A 88 VAL HGy% 1.0 . 5.73 2871 2124 A 88 VAL HGx% A 79 PHE HBy 1.0 . 5.73 2872 2124 A 88 VAL HGx% A 79 PHE HBx 1.0 . 5.73 2873 2125 A 91 ASN HD2y A 79 PHE HBx 1.0 . 4.61 2874 2125 A 91 ASN HD2x A 79 PHE HBx 1.0 . 4.61 2875 2125 A 91 ASN HD2y A 79 PHE HBy 1.0 . 4.61 2876 2125 A 91 ASN HD2x A 79 PHE HBy 1.0 . 4.61 2877 2126 A 79 PHE HBx A 92 PRO HGy 1.0 . 5.62 2878 2126 A 79 PHE HBy A 92 PRO HGy 1.0 . 5.62 2879 2126 A 92 PRO HGx A 79 PHE HBy 1.0 . 5.62 2880 2126 A 92 PRO HGx A 79 PHE HBx 1.0 . 5.62 2881 2127 A 93 THR HG2% A 79 PHE HBy 1.0 . 5.66 2882 2127 A 93 THR HG2% A 79 PHE HBx 1.0 . 5.66 2883 2128 A 93 THR HG1 A 79 PHE HBy 1.0 . 5.81 2884 2128 A 93 THR HG1 A 79 PHE HBx 1.0 . 5.81 2885 2129 A 79 PHE HD% A 88 VAL HGy% 1.0 . 3.83 2886 2129 A 79 PHE HD% A 88 VAL HGx% 1.0 . 3.83 2887 2130 A 79 PHE HE% A 88 VAL HGy% 1.0 . 4.20 2888 2130 A 79 PHE HE% A 88 VAL HGx% 1.0 . 4.20 2889 2131 A 80 ASP H A 80 ASP HBy 1.0 . 3.58 2890 2131 A 80 ASP H A 80 ASP HBx 1.0 . 3.58 2891 2132 A 80 ASP H A 91 ASN HD2x 1.0 . 5.18 2892 2132 A 80 ASP H A 91 ASN HD2y 1.0 . 5.18 2893 2133 A 91 ASN HD2x A 80 ASP HA 1.0 . 4.51 2894 2133 A 91 ASN HD2y A 80 ASP HA 1.0 . 4.51 2895 2134 A 91 ASN HD2y A 80 ASP HBy 1.0 . 5.61 2896 2134 A 91 ASN HD2x A 80 ASP HBx 1.0 . 5.61 2897 2134 A 91 ASN HD2x A 80 ASP HBy 1.0 . 5.61 2898 2134 A 91 ASN HD2y A 80 ASP HBx 1.0 . 5.61 2899 2135 A 81 ASP HA A 84 HIS HBy 1.0 . 3.65 2900 2135 A 81 ASP HA A 84 HIS HBx 1.0 . 3.65 2901 2136 A 82 ALA HA A 85 GLU HBy 1.0 . 4.61 2902 2136 A 82 ALA HA A 85 GLU HBx 1.0 . 4.61 2903 2137 A 82 ALA HB% A 88 VAL HGy% 1.0 . 4.62 2904 2137 A 82 ALA HB% A 88 VAL HGx% 1.0 . 4.62 2905 2138 A 83 ILE H A 83 ILE HG1y 1.0 . 4.88 2906 2138 A 83 ILE H A 83 ILE HG1x 1.0 . 4.88 2907 2139 A 83 ILE H A 84 HIS HBy 1.0 . 5.81 2908 2139 A 83 ILE H A 84 HIS HBx 1.0 . 5.81 2909 2140 A 83 ILE H A 88 VAL HGy% 1.0 . 5.92 2910 2140 A 83 ILE H A 88 VAL HGx% 1.0 . 5.92 2911 2141 A 83 ILE HA A 88 VAL HGy% 1.0 . 4.84 2912 2141 A 83 ILE HA A 88 VAL HGx% 1.0 . 4.84 2913 2142 A 83 ILE HG1x A 88 VAL HGy% 1.0 . 5.31 2914 2142 A 83 ILE HG1y A 88 VAL HGy% 1.0 . 5.31 2915 2142 A 88 VAL HGx% A 83 ILE HG1y 1.0 . 5.31 2916 2142 A 88 VAL HGx% A 83 ILE HG1x 1.0 . 5.31 2917 2143 A 83 ILE HD1% A 91 ASN HBy 1.0 . 4.61 2918 2143 A 83 ILE HD1% A 91 ASN HBx 1.0 . 4.61 2919 2144 A 91 ASN HD2x A 83 ILE HD1% 1.0 . 5.78 2920 2144 A 91 ASN HD2y A 83 ILE HD1% 1.0 . 5.78 2921 2145 A 84 HIS HD2 A 84 HIS HBy 1.0 . 3.49 2922 2145 A 84 HIS HD2 A 84 HIS HBx 1.0 . 3.49 2923 2146 A 84 HIS HBy A 85 GLU HGx 1.0 . 5.61 2924 2146 A 84 HIS HBx A 85 GLU HGx 1.0 . 5.61 2925 2146 A 85 GLU HGy A 84 HIS HBy 1.0 . 5.61 2926 2146 A 84 HIS HBx A 85 GLU HGy 1.0 . 5.61 2927 2147 A 85 GLU HA A 85 GLU HGx 1.0 . 3.69 2928 2147 A 85 GLU HGy A 85 GLU HA 1.0 . 3.69 2929 2148 A 87 TYR HD% A 85 GLU HBy 1.0 . 5.81 2930 2148 A 87 TYR HD% A 85 GLU HBx 1.0 . 5.81 2931 2149 A 86 GLY H A 85 GLU HGx 1.0 . 5.81 2932 2149 A 86 GLY H A 85 GLU HGy 1.0 . 5.81 2933 2150 A 87 TYR HA A 88 VAL HGy% 1.0 . 5.92 2934 2150 A 87 TYR HA A 88 VAL HGx% 1.0 . 5.92 2935 2151 A 87 TYR HBy A 88 VAL HGy% 1.0 . 4.91 2936 2151 A 87 TYR HBx A 88 VAL HGy% 1.0 . 4.91 2937 2151 A 88 VAL HGx% A 87 TYR HBx 1.0 . 4.91 2938 2151 A 87 TYR HBy A 88 VAL HGx% 1.0 . 4.91 2939 2152 A 87 TYR HD% A 88 VAL HGy% 1.0 . 4.64 2940 2152 A 87 TYR HD% A 88 VAL HGx% 1.0 . 4.64 2941 2153 A 89 ILE HA A 88 VAL HGy% 1.0 . 5.92 2942 2153 A 89 ILE HA A 88 VAL HGx% 1.0 . 5.92 2943 2154 A 90 LYS H A 88 VAL HGy% 1.0 . 5.90 2944 2154 A 90 LYS H A 88 VAL HGx% 1.0 . 5.90 2945 2155 A 90 LYS HA A 88 VAL HGy% 1.0 . 5.66 2946 2155 A 90 LYS HA A 88 VAL HGx% 1.0 . 5.66 2947 2156 A 88 VAL HGx% A 92 PRO HDy 1.0 . 5.71 2948 2156 A 88 VAL HGy% A 92 PRO HDy 1.0 . 5.71 2949 2156 A 92 PRO HDx A 88 VAL HGy% 1.0 . 5.71 2950 2156 A 88 VAL HGx% A 92 PRO HDx 1.0 . 5.71 2951 2157 A 93 THR H A 92 PRO HGy 1.0 . 5.12 2952 2157 A 93 THR H A 92 PRO HGx 1.0 . 5.12 2953 2158 A 94 TYR HD% A 95 LYS HBy 1.0 . 4.10 2954 2158 A 94 TYR HD% A 95 LYS HBx 1.0 . 4.10 2955 2159 A 94 TYR HD% A 95 LYS HGx 1.0 . 4.46 2956 2159 A 94 TYR HD% A 95 LYS HGy 1.0 . 4.46 2957 2160 A 94 TYR HE% A 95 LYS HGx 1.0 . 4.67 2958 2160 A 94 TYR HE% A 95 LYS HGy 1.0 . 4.67 2959 2161 A 95 LYS H A 95 LYS HGx 1.0 . 5.58 2960 2161 A 95 LYS H A 95 LYS HGy 1.0 . 5.58 2961 2162 A 95 LYS HBx A 95 LYS HDx 1.0 . 3.63 2962 2162 A 95 LYS HBy A 95 LYS HDx 1.0 . 3.63 2963 2162 A 95 LYS HDy A 95 LYS HBy 1.0 . 3.63 2964 2162 A 95 LYS HDy A 95 LYS HBx 1.0 . 3.63 2965 2163 A 95 LYS HBy A 95 LYS HEx 1.0 . 5.17 2966 2163 A 95 LYS HBx A 95 LYS HEx 1.0 . 5.17 2967 2163 A 95 LYS HEy A 95 LYS HBy 1.0 . 5.17 2968 2163 A 95 LYS HEy A 95 LYS HBx 1.0 . 5.17 2969 2164 A 96 ALA HB% A 97 GLU HGx 1.0 . 5.13 2970 2164 A 96 ALA HB% A 97 GLU HGy 1.0 . 5.13 2971 2165 A 97 GLU H A 97 GLU HGx 1.0 . 4.60 2972 2165 A 97 GLU H A 97 GLU HGy 1.0 . 4.60 2973 2166 A 97 GLU HA A 97 GLU HGx 1.0 . 3.55 2974 2166 A 97 GLU HA A 97 GLU HGy 1.0 . 3.55 2975 2167 A 98 LEU H A 97 GLU HGx 1.0 . 5.16 2976 2167 A 98 LEU H A 97 GLU HGy 1.0 . 5.16 2977 2168 A 98 LEU HG A 97 GLU HGx 1.0 . 5.81 2978 2168 A 98 LEU HG A 97 GLU HGy 1.0 . 5.81 2979 2169 A 98 LEU HD1% A 98 LEU HBx 1.0 . 3.39 2980 2169 A 98 LEU HD1% A 98 LEU HBy 1.0 . 3.39 2981 2170 A 100 ALA H A 98 LEU HBx 1.0 . 5.78 2982 2170 A 100 ALA H A 98 LEU HBy 1.0 . 5.78 2983 2171 A 102 VAL H A 103 LEU HBx 1.0 . 5.81 2984 2171 A 102 VAL H A 103 LEU HBy 1.0 . 5.81 2985 2172 A 102 VAL HA A 103 LEU HBx 1.0 . 5.81 2986 2172 A 102 VAL HA A 103 LEU HBy 1.0 . 5.81 2987 2173 A 103 LEU H A 103 LEU HBx 1.0 . 3.63 2988 2173 A 103 LEU H A 103 LEU HBy 1.0 . 3.63 2989 2174 A 103 LEU H A 103 LEU HDx% 1.0 . 4.77 2990 2174 A 103 LEU H A 103 LEU HDy% 1.0 . 4.77 2991 2175 A 103 LEU HA A 103 LEU HDx% 1.0 . 3.08 2992 2175 A 103 LEU HA A 103 LEU HDy% 1.0 . 3.08 2993 2176 A 104 GLU H A 103 LEU HBx 1.0 . 4.18 2994 2176 A 104 GLU H A 103 LEU HBy 1.0 . 4.18 2995 2177 A 104 GLU H A 103 LEU HDx% 1.0 . 4.99 2996 2177 A 104 GLU H A 103 LEU HDy% 1.0 . 4.99 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 4 PHE H A 42 LYS O 1.0 . 2.3 2 2 A 42 LYS O A 4 PHE N 1.0 . 3.3 3 3 A 8 PHE H A 4 PHE O 1.0 . 2.3 4 4 A 4 PHE O A 8 PHE N 1.0 . 3.3 5 5 A 9 TYR H A 5 ALA O 1.0 . 2.3 6 6 A 5 ALA O A 9 TYR N 1.0 . 3.3 7 7 A 10 GLN H A 6 ASP O 1.0 . 2.3 8 8 A 6 ASP O A 10 GLN N 1.0 . 3.3 9 9 A 11 TRP H A 7 TYR O 1.0 . 2.3 10 10 A 7 TYR O A 11 TRP N 1.0 . 3.3 11 11 A 12 TYR H A 8 PHE O 1.0 . 2.3 12 12 A 8 PHE O A 12 TYR N 1.0 . 3.3 13 13 A 13 GLU H A 9 TYR O 1.0 . 2.3 14 14 A 9 TYR O A 13 GLU N 1.0 . 3.3 15 15 A 14 VAL H A 10 GLN O 1.0 . 2.3 16 16 A 10 GLN O A 14 VAL N 1.0 . 3.3 17 17 A 15 ASN H A 12 TYR O 1.0 . 2.3 18 18 A 12 TYR O A 15 ASN N 1.0 . 3.3 19 19 A 25 LYS H A 21 SER O 1.0 . 2.3 20 20 A 21 SER O A 25 LYS N 1.0 . 3.3 21 21 A 26 ARG H A 22 GLU O 1.0 . 2.3 22 22 A 22 GLU O A 26 ARG N 1.0 . 3.3 23 23 A 28 TYR H A 24 THR O 1.0 . 2.3 24 24 A 24 THR O A 28 TYR N 1.0 . 3.3 25 25 A 29 GLU H A 25 LYS O 1.0 . 2.3 26 26 A 25 LYS O A 29 GLU N 1.0 . 3.3 27 27 A 30 SER H A 26 ARG O 1.0 . 2.3 28 28 A 26 ARG O A 30 SER N 1.0 . 3.3 29 29 A 31 ALA H A 27 HIS O 1.0 . 2.3 30 30 A 27 HIS O A 31 ALA N 1.0 . 3.3 31 31 A 32 TYR H A 28 TYR O 1.0 . 2.3 32 32 A 28 TYR O A 32 TYR N 1.0 . 3.3 33 33 A 33 LYS H A 29 GLU O 1.0 . 2.3 34 34 A 29 GLU O A 33 LYS N 1.0 . 3.3 35 35 A 34 HIS H A 30 SER O 1.0 . 2.3 36 36 A 30 SER O A 34 HIS N 1.0 . 3.3 37 37 A 35 ILE H A 31 ALA O 1.0 . 2.3 38 38 A 31 ALA O A 35 ILE N 1.0 . 3.3 39 39 A 36 LYS H A 32 TYR O 1.0 . 2.3 40 40 A 32 TYR O A 36 LYS N 1.0 . 3.3 41 41 A 37 ASP H A 33 LYS O 1.0 . 2.3 42 42 A 33 LYS O A 37 ASP N 1.0 . 3.3 43 43 A 38 HIS H A 34 HIS O 1.0 . 2.3 44 44 A 34 HIS O A 38 HIS N 1.0 . 3.3 45 45 A 39 PHE H A 35 ILE O 1.0 . 2.3 46 46 A 35 ILE O A 39 PHE N 1.0 . 3.3 47 47 A 44 LEU H A 2 ILE O 1.0 . 2.3 48 48 A 2 ILE O A 44 LEU N 1.0 . 3.3 49 49 A 52 TYR H A 48 LYS O 1.0 . 2.3 50 50 A 48 LYS O A 52 TYR N 1.0 . 3.3 51 51 A 53 GLN H A 49 ARG O 1.0 . 2.3 52 52 A 49 ARG O A 53 GLN N 1.0 . 3.3 53 53 A 57 ASN H A 53 GLN O 1.0 . 2.3 54 54 A 53 GLN O A 57 ASN N 1.0 . 3.3 55 55 A 58 GLU H A 54 LYS O 1.0 . 2.3 56 56 A 54 LYS O A 58 GLU N 1.0 . 3.3 57 57 A 59 TYR H A 55 PHE O 1.0 . 2.3 58 58 A 55 PHE O A 59 TYR N 1.0 . 3.3 59 59 A 60 GLY H A 56 LEU O 1.0 . 2.3 60 60 A 56 LEU O A 60 GLY N 1.0 . 3.3 61 61 A 68 ILE H A 64 SER O 1.0 . 2.3 62 62 A 64 SER O A 68 ILE N 1.0 . 3.3 63 63 A 69 ARG H A 65 TYR O 1.0 . 2.3 64 64 A 65 TYR O A 69 ARG N 1.0 . 3.3 65 65 A 71 LEU H A 67 THR O 1.0 . 2.3 66 66 A 67 THR O A 71 LEU N 1.0 . 3.3 67 67 A 72 ASN H A 68 ILE O 1.0 . 2.3 68 68 A 68 ILE O A 72 ASN N 1.0 . 3.3 69 69 A 73 SER H A 69 ARG O 1.0 . 2.3 70 70 A 69 ARG O A 73 SER N 1.0 . 3.3 71 71 A 74 TYR H A 70 LYS O 1.0 . 2.3 72 72 A 70 LYS O A 74 TYR N 1.0 . 3.3 73 73 A 75 ILE H A 71 LEU O 1.0 . 2.3 74 74 A 71 LEU O A 75 ILE N 1.0 . 3.3 75 75 A 76 ARG H A 72 ASN O 1.0 . 2.3 76 76 A 72 ASN O A 76 ARG N 1.0 . 3.3 77 77 A 77 ASN H A 73 SER O 1.0 . 2.3 78 78 A 73 SER O A 77 ASN N 1.0 . 3.3 79 79 A 78 ALA H A 74 TYR O 1.0 . 2.3 80 80 A 74 TYR O A 78 ALA N 1.0 . 3.3 81 81 A 79 PHE H A 75 ILE O 1.0 . 2.3 82 82 A 75 ILE O A 79 PHE N 1.0 . 3.3 83 83 A 80 ASP H A 76 ARG O 1.0 . 2.3 84 84 A 76 ARG O A 80 ASP N 1.0 . 3.3 85 85 A 81 ASP H A 77 ASN O 1.0 . 2.3 86 86 A 77 ASN O A 81 ASP N 1.0 . 3.3 87 87 A 82 ALA H A 78 ALA O 1.0 . 2.3 88 88 A 78 ALA O A 82 ALA N 1.0 . 3.3 89 89 A 83 ILE H A 79 PHE O 1.0 . 2.3 90 90 A 79 PHE O A 83 ILE N 1.0 . 3.3 91 91 A 4 PHE H A 42 LYS O 1.0 . 1.5 92 92 A 42 LYS O A 4 PHE N 1.0 . 2.4 93 93 A 8 PHE H A 4 PHE O 1.0 . 1.5 94 94 A 4 PHE O A 8 PHE N 1.0 . 2.4 95 95 A 9 TYR H A 5 ALA O 1.0 . 1.5 96 96 A 5 ALA O A 9 TYR N 1.0 . 2.4 97 97 A 10 GLN H A 6 ASP O 1.0 . 1.5 98 98 A 6 ASP O A 10 GLN N 1.0 . 2.4 99 99 A 11 TRP H A 7 TYR O 1.0 . 1.5 100 100 A 7 TYR O A 11 TRP N 1.0 . 2.4 101 101 A 12 TYR H A 8 PHE O 1.0 . 1.5 102 102 A 8 PHE O A 12 TYR N 1.0 . 2.4 103 103 A 13 GLU H A 9 TYR O 1.0 . 1.5 104 104 A 9 TYR O A 13 GLU N 1.0 . 2.4 105 105 A 14 VAL H A 10 GLN O 1.0 . 1.5 106 106 A 10 GLN O A 14 VAL N 1.0 . 2.4 107 107 A 15 ASN H A 12 TYR O 1.0 . 1.5 108 108 A 12 TYR O A 15 ASN N 1.0 . 2.4 109 109 A 25 LYS H A 21 SER O 1.0 . 1.5 110 110 A 21 SER O A 25 LYS N 1.0 . 2.4 111 111 A 26 ARG H A 22 GLU O 1.0 . 1.5 112 112 A 22 GLU O A 26 ARG N 1.0 . 2.4 113 113 A 28 TYR H A 24 THR O 1.0 . 1.5 114 114 A 24 THR O A 28 TYR N 1.0 . 2.4 115 115 A 29 GLU H A 25 LYS O 1.0 . 1.5 116 116 A 25 LYS O A 29 GLU N 1.0 . 2.4 117 117 A 30 SER H A 26 ARG O 1.0 . 1.5 118 118 A 26 ARG O A 30 SER N 1.0 . 2.4 119 119 A 31 ALA H A 27 HIS O 1.0 . 1.5 120 120 A 27 HIS O A 31 ALA N 1.0 . 2.4 121 121 A 32 TYR H A 28 TYR O 1.0 . 1.5 122 122 A 28 TYR O A 32 TYR N 1.0 . 2.4 123 123 A 33 LYS H A 29 GLU O 1.0 . 1.5 124 124 A 29 GLU O A 33 LYS N 1.0 . 2.4 125 125 A 34 HIS H A 30 SER O 1.0 . 1.5 126 126 A 30 SER O A 34 HIS N 1.0 . 2.4 127 127 A 35 ILE H A 31 ALA O 1.0 . 1.5 128 128 A 31 ALA O A 35 ILE N 1.0 . 2.4 129 129 A 36 LYS H A 32 TYR O 1.0 . 1.5 130 130 A 32 TYR O A 36 LYS N 1.0 . 2.4 131 131 A 37 ASP H A 33 LYS O 1.0 . 1.5 132 132 A 33 LYS O A 37 ASP N 1.0 . 2.4 133 133 A 38 HIS H A 34 HIS O 1.0 . 1.5 134 134 A 34 HIS O A 38 HIS N 1.0 . 2.4 135 135 A 39 PHE H A 35 ILE O 1.0 . 1.5 136 136 A 35 ILE O A 39 PHE N 1.0 . 2.4 137 137 A 44 LEU H A 2 ILE O 1.0 . 1.5 138 138 A 2 ILE O A 44 LEU N 1.0 . 2.4 139 139 A 52 TYR H A 48 LYS O 1.0 . 1.5 140 140 A 48 LYS O A 52 TYR N 1.0 . 2.4 141 141 A 53 GLN H A 49 ARG O 1.0 . 1.5 142 142 A 49 ARG O A 53 GLN N 1.0 . 2.4 143 143 A 57 ASN H A 53 GLN O 1.0 . 1.5 144 144 A 53 GLN O A 57 ASN N 1.0 . 2.4 145 145 A 58 GLU H A 54 LYS O 1.0 . 1.5 146 146 A 54 LYS O A 58 GLU N 1.0 . 2.4 147 147 A 59 TYR H A 55 PHE O 1.0 . 1.5 148 148 A 55 PHE O A 59 TYR N 1.0 . 2.4 149 149 A 60 GLY H A 56 LEU O 1.0 . 1.5 150 150 A 56 LEU O A 60 GLY N 1.0 . 2.4 151 151 A 68 ILE H A 64 SER O 1.0 . 1.5 152 152 A 64 SER O A 68 ILE N 1.0 . 2.4 153 153 A 69 ARG H A 65 TYR O 1.0 . 1.5 154 154 A 65 TYR O A 69 ARG N 1.0 . 2.4 155 155 A 71 LEU H A 67 THR O 1.0 . 1.5 156 156 A 67 THR O A 71 LEU N 1.0 . 2.4 157 157 A 72 ASN H A 68 ILE O 1.0 . 1.5 158 158 A 68 ILE O A 72 ASN N 1.0 . 2.4 159 159 A 73 SER H A 69 ARG O 1.0 . 1.5 160 160 A 69 ARG O A 73 SER N 1.0 . 2.4 161 161 A 74 TYR H A 70 LYS O 1.0 . 1.5 162 162 A 70 LYS O A 74 TYR N 1.0 . 2.4 163 163 A 75 ILE H A 71 LEU O 1.0 . 1.5 164 164 A 71 LEU O A 75 ILE N 1.0 . 2.4 165 165 A 76 ARG H A 72 ASN O 1.0 . 1.5 166 166 A 72 ASN O A 76 ARG N 1.0 . 2.4 167 167 A 77 ASN H A 73 SER O 1.0 . 1.5 168 168 A 73 SER O A 77 ASN N 1.0 . 2.4 169 169 A 78 ALA H A 74 TYR O 1.0 . 1.5 170 170 A 74 TYR O A 78 ALA N 1.0 . 2.4 171 171 A 79 PHE H A 75 ILE O 1.0 . 1.5 172 172 A 75 ILE O A 79 PHE N 1.0 . 2.4 173 173 A 80 ASP H A 76 ARG O 1.0 . 1.5 174 174 A 76 ARG O A 80 ASP N 1.0 . 2.4 175 175 A 81 ASP H A 77 ASN O 1.0 . 1.5 176 176 A 77 ASN O A 81 ASP N 1.0 . 2.4 177 177 A 82 ALA H A 78 ALA O 1.0 . 1.5 178 178 A 78 ALA O A 82 ALA N 1.0 . 2.4 179 179 A 83 ILE H A 79 PHE O 1.0 . 1.5 180 180 A 79 PHE O A 83 ILE N 1.0 . 2.4 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 4 PHE C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -70.9 -50.7 PHI 2 2 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 ASP N 1.0 -60.4 -30.8 PSI 3 3 A 5 ALA C A 6 ASP N A 6 ASP CA A 6 ASP C 1.0 -76.4 -56.4 PHI 4 4 A 6 ASP N A 6 ASP CA A 6 ASP C A 7 TYR N 1.0 -50.0 -26.8 PSI 5 5 A 6 ASP C A 7 TYR N A 7 TYR CA A 7 TYR C 1.0 -74.4 -54.4 PHI 6 6 A 7 TYR N A 7 TYR CA A 7 TYR C A 8 PHE N 1.0 -55.2 -35.2 PSI 7 7 A 7 TYR C A 8 PHE N A 8 PHE CA A 8 PHE C 1.0 -71.6 -51.6 PHI 8 8 A 8 PHE N A 8 PHE CA A 8 PHE C A 9 TYR N 1.0 -58.9 -35.9 PSI 9 9 A 8 PHE C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -80.3 -42.2 PHI 10 10 A 9 TYR N A 9 TYR CA A 9 TYR C A 10 GLN N 1.0 -55.3 -29.4 PSI 11 11 A 9 TYR C A 10 GLN N A 10 GLN CA A 10 GLN C 1.0 -72.6 -52.6 PHI 12 12 A 10 GLN N A 10 GLN CA A 10 GLN C A 11 TRP N 1.0 -53.7 -30.6 PSI 13 13 A 10 GLN C A 11 TRP N A 11 TRP CA A 11 TRP C 1.0 -72.6 -52.6 PHI 14 14 A 11 TRP N A 11 TRP CA A 11 TRP C A 12 TYR N 1.0 -51.3 -31.3 PSI 15 15 A 11 TRP C A 12 TYR N A 12 TYR CA A 12 TYR C 1.0 -84.2 -60.1 PHI 16 16 A 12 TYR N A 12 TYR CA A 12 TYR C A 13 GLU N 1.0 -57.3 -5.6 PSI 17 17 A 20 VAL C A 21 SER N A 21 SER CA A 21 SER C 1.0 -120.5 -61.4 PHI 18 18 A 21 SER N A 21 SER CA A 21 SER C A 22 GLU N 1.0 137.7 191.5 PSI 19 19 A 21 SER C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -69.0 -46.3 PHI 20 20 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 SER N 1.0 -53.2 -23.7 PSI 21 21 A 22 GLU C A 23 SER N A 23 SER CA A 23 SER C 1.0 -78.7 -49.8 PHI 22 22 A 23 SER N A 23 SER CA A 23 SER C A 24 THR N 1.0 -50.5 -17.9 PSI 23 23 A 23 SER C A 24 THR N A 24 THR CA A 24 THR C 1.0 -87.7 -49.8 PHI 24 24 A 24 THR N A 24 THR CA A 24 THR C A 25 LYS N 1.0 -56.8 -20.8 PSI 25 25 A 24 THR C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -78.1 -49.2 PHI 26 26 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 ARG N 1.0 -58.0 -27.7 PSI 27 27 A 25 LYS C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -73.0 -53.0 PHI 28 28 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 HIS N 1.0 -56.0 -29.6 PSI 29 29 A 26 ARG C A 27 HIS N A 27 HIS CA A 27 HIS C 1.0 -77.3 -56.3 PHI 30 30 A 27 HIS N A 27 HIS CA A 27 HIS C A 28 TYR N 1.0 -53.9 -33.0 PSI 31 31 A 27 HIS C A 28 TYR N A 28 TYR CA A 28 TYR C 1.0 -75.4 -55.4 PHI 32 32 A 28 TYR N A 28 TYR CA A 28 TYR C A 29 GLU N 1.0 -57.7 -27.1 PSI 33 33 A 28 TYR C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -77.4 -50.3 PHI 34 34 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 SER N 1.0 -58.0 -25.4 PSI 35 35 A 29 GLU C A 30 SER N A 30 SER CA A 30 SER C 1.0 -76.9 -51.4 PHI 36 36 A 30 SER N A 30 SER CA A 30 SER C A 31 ALA N 1.0 -49.7 -29.7 PSI 37 37 A 30 SER C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -73.5 -53.5 PHI 38 38 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 TYR N 1.0 -55.7 -17.1 PSI 39 39 A 31 ALA C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -78.2 -49.3 PHI 40 40 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 LYS N 1.0 -53.5 -33.5 PSI 41 41 A 32 TYR C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -71.0 -51.0 PHI 42 42 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 HIS N 1.0 -54.0 -32.5 PSI 43 43 A 33 LYS C A 34 HIS N A 34 HIS CA A 34 HIS C 1.0 -77.6 -53.3 PHI 44 44 A 34 HIS N A 34 HIS CA A 34 HIS C A 35 ILE N 1.0 -54.7 -15.6 PSI 45 45 A 34 HIS C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -75.5 -55.5 PHI 46 46 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 LYS N 1.0 -50.9 -30.9 PSI 47 47 A 35 ILE C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -71.4 -51.4 PHI 48 48 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 ASP N 1.0 -54.5 -28.5 PSI 49 49 A 36 LYS C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -83.0 -48.0 PHI 50 50 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 HIS N 1.0 -50.9 -30.9 PSI 51 51 A 37 ASP C A 38 HIS N A 38 HIS CA A 38 HIS C 1.0 -86.2 -50.9 PHI 52 52 A 38 HIS N A 38 HIS CA A 38 HIS C A 39 PHE N 1.0 -59.2 -27.1 PSI 53 53 A 48 LYS C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -77.6 -44.4 PHI 54 54 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 THR N 1.0 -58.9 -21.0 PSI 55 55 A 49 ARG C A 50 THR N A 50 THR CA A 50 THR C 1.0 -70.1 -50.1 PHI 56 56 A 50 THR N A 50 THR CA A 50 THR C A 51 GLU N 1.0 -55.1 -28.7 PSI 57 57 A 50 THR C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -76.2 -53.7 PHI 58 58 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 TYR N 1.0 -51.4 -31.3 PSI 59 59 A 51 GLU C A 52 TYR N A 52 TYR CA A 52 TYR C 1.0 -78.7 -49.2 PHI 60 60 A 52 TYR N A 52 TYR CA A 52 TYR C A 53 GLN N 1.0 -56.0 -36.0 PSI 61 61 A 52 TYR C A 53 GLN N A 53 GLN CA A 53 GLN C 1.0 -76.4 -54.5 PHI 62 62 A 53 GLN N A 53 GLN CA A 53 GLN C A 54 LYS N 1.0 -57.0 -19.9 PSI 63 63 A 53 GLN C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -75.7 -52.3 PHI 64 64 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 PHE N 1.0 -54.4 -27.4 PSI 65 65 A 54 LYS C A 55 PHE N A 55 PHE CA A 55 PHE C 1.0 -77.8 -48.5 PHI 66 66 A 55 PHE N A 55 PHE CA A 55 PHE C A 56 LEU N 1.0 -59.1 -25.0 PSI 67 67 A 55 PHE C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -78.5 -44.4 PHI 68 68 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 ASN N 1.0 -53.8 -28.4 PSI 69 69 A 56 LEU C A 57 ASN N A 57 ASN CA A 57 ASN C 1.0 -81.4 -46.9 PHI 70 70 A 57 ASN N A 57 ASN CA A 57 ASN C A 58 GLU N 1.0 -57.3 -22.6 PSI 71 71 A 57 ASN C A 58 GLU N A 58 GLU CA A 58 GLU C 1.0 -77.2 -52.6 PHI 72 72 A 58 GLU N A 58 GLU CA A 58 GLU C A 59 TYR N 1.0 -58.7 -24.0 PSI 73 73 A 58 GLU C A 59 TYR N A 59 TYR CA A 59 TYR C 1.0 -77.4 -57.4 PHI 74 74 A 59 TYR N A 59 TYR CA A 59 TYR C A 60 GLY N 1.0 -52.5 -13.5 PSI 75 75 A 59 TYR C A 60 GLY N A 60 GLY CA A 60 GLY C 1.0 -90.9 -48.0 PHI 76 76 A 60 GLY N A 60 GLY CA A 60 GLY C A 61 LEU N 1.0 -70.5 20.4 PSI 77 77 A 60 GLY C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -90.0 -55.9 PHI 78 78 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 THR N 1.0 -55.4 -0.6 PSI 79 79 A 64 SER C A 65 TYR N A 65 TYR CA A 65 TYR C 1.0 -71.0 -50.2 PHI 80 80 A 65 TYR N A 65 TYR CA A 65 TYR C A 66 GLU N 1.0 -47.0 -25.6 PSI 81 81 A 65 TYR C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -75.2 -52.8 PHI 82 82 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 THR N 1.0 -48.7 -28.5 PSI 83 83 A 66 GLU C A 67 THR N A 67 THR CA A 67 THR C 1.0 -72.2 -52.2 PHI 84 84 A 67 THR N A 67 THR CA A 67 THR C A 68 ILE N 1.0 -50.8 -28.8 PSI 85 85 A 67 THR C A 68 ILE N A 68 ILE CA A 68 ILE C 1.0 -73.2 -53.1 PHI 86 86 A 68 ILE N A 68 ILE CA A 68 ILE C A 69 ARG N 1.0 -58.6 -35.4 PSI 87 87 A 68 ILE C A 69 ARG N A 69 ARG CA A 69 ARG C 1.0 -80.9 -51.1 PHI 88 88 A 69 ARG N A 69 ARG CA A 69 ARG C A 70 LYS N 1.0 -49.6 -28.4 PSI 89 89 A 69 ARG C A 70 LYS N A 70 LYS CA A 70 LYS C 1.0 -71.3 -51.3 PHI 90 90 A 70 LYS N A 70 LYS CA A 70 LYS C A 71 LEU N 1.0 -54.1 -34.1 PSI 91 91 A 70 LYS C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -75.8 -53.1 PHI 92 92 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 ASN N 1.0 -61.5 -32.4 PSI 93 93 A 71 LEU C A 72 ASN N A 72 ASN CA A 72 ASN C 1.0 -71.7 -50.9 PHI 94 94 A 72 ASN N A 72 ASN CA A 72 ASN C A 73 SER N 1.0 -52.9 -32.9 PSI 95 95 A 72 ASN C A 73 SER N A 73 SER CA A 73 SER C 1.0 -72.6 -52.6 PHI 96 96 A 73 SER N A 73 SER CA A 73 SER C A 74 TYR N 1.0 -53.7 -32.4 PSI 97 97 A 73 SER C A 74 TYR N A 74 TYR CA A 74 TYR C 1.0 -82.9 -52.2 PHI 98 98 A 74 TYR N A 74 TYR CA A 74 TYR C A 75 ILE N 1.0 -55.5 -30.8 PSI 99 99 A 74 TYR C A 75 ILE N A 75 ILE CA A 75 ILE C 1.0 -73.7 -49.6 PHI 100 100 A 75 ILE N A 75 ILE CA A 75 ILE C A 76 ARG N 1.0 -48.1 -28.1 PSI 101 101 A 75 ILE C A 76 ARG N A 76 ARG CA A 76 ARG C 1.0 -77.9 -46.7 PHI 102 102 A 76 ARG N A 76 ARG CA A 76 ARG C A 77 ASN N 1.0 -55.3 -25.1 PSI 103 103 A 76 ARG C A 77 ASN N A 77 ASN CA A 77 ASN C 1.0 -71.8 -51.8 PHI 104 104 A 77 ASN N A 77 ASN CA A 77 ASN C A 78 ALA N 1.0 -53.5 -26.1 PSI 105 105 A 77 ASN C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -74.9 -54.9 PHI 106 106 A 78 ALA N A 78 ALA CA A 78 ALA C A 79 PHE N 1.0 -55.5 -29.6 PSI 107 107 A 78 ALA C A 79 PHE N A 79 PHE CA A 79 PHE C 1.0 -74.2 -53.4 PHI 108 108 A 79 PHE N A 79 PHE CA A 79 PHE C A 80 ASP N 1.0 -52.7 -32.7 PSI 109 109 A 79 PHE C A 80 ASP N A 80 ASP CA A 80 ASP C 1.0 -76.9 -56.9 PHI 110 110 A 80 ASP N A 80 ASP CA A 80 ASP C A 81 ASP N 1.0 -60.5 -19.2 PSI 111 111 A 80 ASP C A 81 ASP N A 81 ASP CA A 81 ASP C 1.0 -79.0 -56.1 PHI 112 112 A 81 ASP N A 81 ASP CA A 81 ASP C A 82 ALA N 1.0 -57.0 -26.9 PSI 113 113 A 81 ASP C A 82 ALA N A 82 ALA CA A 82 ALA C 1.0 -78.3 -52.8 PHI 114 114 A 82 ALA N A 82 ALA CA A 82 ALA C A 83 ILE N 1.0 -52.8 -31.0 PSI 115 115 A 82 ALA C A 83 ILE N A 83 ILE CA A 83 ILE C 1.0 -78.3 -58.3 PHI 116 116 A 83 ILE N A 83 ILE CA A 83 ILE C A 84 HIS N 1.0 -53.3 -33.3 PSI 117 117 A 83 ILE C A 84 HIS N A 84 HIS CA A 84 HIS C 1.0 -76.2 -56.2 PHI 118 118 A 84 HIS N A 84 HIS CA A 84 HIS C A 85 GLU N 1.0 -53.4 -5.4 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width . 1H . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width . 1H . stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width . 1H . stop_ save_ save_spectral_peak_list_4 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_4 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width . 1H . stop_ save_