data_nef_c15674_2k1b save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -17 MET start . . 2 A -16 HIS middle . . 3 A -15 HIS middle . . 4 A -14 HIS middle . . 5 A -13 HIS middle . . 6 A -12 HIS middle . . 7 A -11 HIS middle . . 8 A -10 SER middle . . 9 A -9 SER middle . . 10 A -8 GLY middle . false 11 A -7 ARG middle . . 12 A -6 GLU middle . . 13 A -5 ASN middle . . 14 A -4 LEU middle . . 15 A -3 TYR middle . . 16 A -2 PHE middle . . 17 A -1 GLN middle . . 18 A 0 GLY middle . false 19 A 1 GLU middle . . 20 A 2 GLN middle . . 21 A 3 VAL middle . . 22 A 4 PHE middle . . 23 A 5 ALA middle . . 24 A 6 VAL middle . . 25 A 7 GLU middle . . 26 A 8 SER middle . . 27 A 9 ILE middle . . 28 A 10 ARG middle . . 29 A 11 LYS middle . . 30 A 12 LYS middle . . 31 A 13 ARG middle . . 32 A 14 VAL middle . . 33 A 15 ARG middle . . 34 A 16 LYS middle . . 35 A 17 GLY middle . false 36 A 18 LYS middle . . 37 A 19 VAL middle . . 38 A 20 GLU middle . . 39 A 21 TYR middle . . 40 A 22 LEU middle . . 41 A 23 VAL middle . . 42 A 24 LYS middle . . 43 A 25 TRP middle . . 44 A 26 LYS middle . . 45 A 27 GLY middle . false 46 A 28 TRP middle . . 47 A 29 PRO middle . false 48 A 30 PRO middle . false 49 A 31 LYS middle . . 50 A 32 TYR middle . . 51 A 33 SER middle . . 52 A 34 THR middle . . 53 A 35 TRP middle . . 54 A 36 GLU middle . . 55 A 37 PRO middle . false 56 A 38 GLU middle . . 57 A 39 GLU middle . . 58 A 40 HIS middle . . 59 A 41 ILE middle . . 60 A 42 LEU middle . . 61 A 43 ASP middle . . 62 A 44 PRO middle . false 63 A 45 ARG middle . . 64 A 46 LEU middle . . 65 A 47 VAL middle . . 66 A 48 MET middle . . 67 A 49 ALA middle . . 68 A 50 TYR middle . . 69 A 51 GLU middle . . 70 A 52 GLU middle . . 71 A 53 LYS middle . . 72 A 54 GLU middle . . 73 A 55 GLU 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 GLU H H 1 8.137 0.030 A 1 GLU HA H 1 4.134 0.030 A 1 GLU HBx H 1 1.978 0.030 A 1 GLU HBy H 1 1.978 0.030 A 1 GLU HGy H 1 2.321 0.030 A 1 GLU HGx H 1 2.229 0.030 A 1 GLU C C 13 176.600 0.300 A 1 GLU CA C 13 56.996 0.400 A 1 GLU CB C 13 30.276 0.400 A 1 GLU CG C 13 36.253 0.400 A 1 GLU N N 15 120.216 0.400 A 2 GLN H H 1 7.667 0.030 A 2 GLN HA H 1 4.155 0.030 A 2 GLN HBy H 1 2.034 0.030 A 2 GLN HBx H 1 1.823 0.030 A 2 GLN HE2x H 1 6.699 0.030 A 2 GLN HE2y H 1 7.290 0.030 A 2 GLN HGx H 1 2.165 0.030 A 2 GLN HGy H 1 2.165 0.030 A 2 GLN C C 13 175.323 0.300 A 2 GLN CA C 13 55.890 0.400 A 2 GLN CB C 13 29.033 0.400 A 2 GLN CG C 13 33.626 0.400 A 2 GLN N N 15 120.437 0.400 A 2 GLN NE2 N 15 111.904 0.400 A 3 VAL H H 1 7.893 0.030 A 3 VAL HA H 1 3.936 0.030 A 3 VAL HB H 1 1.797 0.030 A 3 VAL HGx% H 1 0.661 0.030 A 3 VAL HGy% H 1 0.696 0.030 A 3 VAL C C 13 175.441 0.300 A 3 VAL CA C 13 62.281 0.400 A 3 VAL CB C 13 33.167 0.400 A 3 VAL CG1 C 13 21.082 0.400 A 3 VAL CG2 C 13 20.640 0.400 A 3 VAL N N 15 121.118 0.400 A 4 PHE H H 1 8.348 0.030 A 4 PHE HA H 1 4.560 0.030 A 4 PHE HBy H 1 2.568 0.030 A 4 PHE HBx H 1 2.438 0.030 A 4 PHE HD1 H 1 6.535 0.030 A 4 PHE HD2 H 1 6.535 0.030 A 4 PHE HE1 H 1 6.537 0.030 A 4 PHE HE2 H 1 6.537 0.030 A 4 PHE C C 13 174.317 0.300 A 4 PHE CA C 13 57.430 0.400 A 4 PHE CB C 13 39.537 0.400 A 4 PHE CD1 C 13 131.004 0.400 A 4 PHE CE1 C 13 128.999 0.400 A 4 PHE N N 15 124.325 0.400 A 5 ALA H H 1 9.004 0.030 A 5 ALA HA H 1 4.884 0.030 A 5 ALA HB% H 1 1.428 0.030 A 5 ALA C C 13 176.678 0.300 A 5 ALA CA C 13 51.103 0.400 A 5 ALA CB C 13 21.136 0.400 A 5 ALA N N 15 125.853 0.400 A 6 VAL H H 1 8.760 0.030 A 6 VAL HA H 1 3.388 0.030 A 6 VAL HB H 1 1.945 0.030 A 6 VAL HGx% H 1 0.706 0.030 A 6 VAL HGy% H 1 0.509 0.030 A 6 VAL CA C 13 64.272 0.400 A 6 VAL CB C 13 32.189 0.400 A 6 VAL CG1 C 13 22.441 0.400 A 6 VAL CG2 C 13 21.967 0.400 A 6 VAL N N 15 124.512 0.400 A 7 GLU H H 1 9.249 0.030 A 7 GLU HA H 1 4.308 0.030 A 7 GLU HBx H 1 1.740 0.030 A 7 GLU HBy H 1 1.740 0.030 A 7 GLU HGx H 1 2.041 0.030 A 7 GLU HGy H 1 2.041 0.030 A 7 GLU C C 13 175.726 0.300 A 7 GLU CA C 13 57.519 0.400 A 7 GLU CB C 13 32.222 0.400 A 7 GLU CG C 13 36.490 0.400 A 7 GLU N N 15 128.262 0.400 A 8 SER H H 1 7.680 0.030 A 8 SER HA H 1 4.358 0.030 A 8 SER HBy H 1 3.792 0.030 A 8 SER HBx H 1 3.653 0.030 A 8 SER C C 13 171.381 0.300 A 8 SER CA C 13 57.235 0.400 A 8 SER CB C 13 64.781 0.400 A 8 SER N N 15 108.972 0.400 A 9 ILE H H 1 8.351 0.030 A 9 ILE HA H 1 4.138 0.030 A 9 ILE HB H 1 1.426 0.030 A 9 ILE HD1% H 1 0.121 0.030 A 9 ILE HG1y H 1 1.090 0.030 A 9 ILE HG1x H 1 0.579 0.030 A 9 ILE HG2% H 1 0.303 0.030 A 9 ILE C C 13 175.608 0.300 A 9 ILE CA C 13 60.287 0.400 A 9 ILE CB C 13 38.955 0.400 A 9 ILE CD1 C 13 12.888 0.400 A 9 ILE CG1 C 13 27.730 0.400 A 9 ILE CG2 C 13 18.289 0.400 A 9 ILE N N 15 120.433 0.400 A 10 ARG H H 1 9.069 0.030 A 10 ARG HA H 1 4.346 0.030 A 10 ARG HBy H 1 1.886 0.030 A 10 ARG HBx H 1 1.275 0.030 A 10 ARG HDy H 1 3.046 0.030 A 10 ARG HDx H 1 2.733 0.030 A 10 ARG HGx H 1 1.486 0.030 A 10 ARG HGy H 1 1.486 0.030 A 10 ARG C C 13 176.048 0.300 A 10 ARG CA C 13 56.568 0.400 A 10 ARG CB C 13 32.274 0.400 A 10 ARG CD C 13 43.020 0.400 A 10 ARG CG C 13 26.247 0.400 A 10 ARG N N 15 123.386 0.400 A 11 LYS H H 1 7.096 0.030 A 11 LYS HA H 1 4.668 0.030 A 11 LYS HBy H 1 1.919 0.030 A 11 LYS HBx H 1 1.634 0.030 A 11 LYS HDy H 1 1.878 0.030 A 11 LYS HDx H 1 1.773 0.030 A 11 LYS HEx H 1 3.056 0.030 A 11 LYS HEy H 1 3.056 0.030 A 11 LYS HGx H 1 1.482 0.030 A 11 LYS HGy H 1 1.641 0.030 A 11 LYS C C 13 172.926 0.300 A 11 LYS CA C 13 55.422 0.400 A 11 LYS CB C 13 37.865 0.400 A 11 LYS CD C 13 29.387 0.400 A 11 LYS CE C 13 42.224 0.400 A 11 LYS CG C 13 26.041 0.400 A 11 LYS N N 15 115.532 0.400 A 12 LYS H H 1 8.241 0.030 A 12 LYS HA H 1 5.402 0.030 A 12 LYS HBy H 1 1.803 0.030 A 12 LYS HBx H 1 1.603 0.030 A 12 LYS HDx H 1 1.716 0.030 A 12 LYS HDy H 1 1.716 0.030 A 12 LYS HEx H 1 2.805 0.030 A 12 LYS HEy H 1 2.805 0.030 A 12 LYS HGy H 1 1.103 0.030 A 12 LYS HGx H 1 1.002 0.030 A 12 LYS C C 13 174.556 0.300 A 12 LYS CA C 13 55.115 0.400 A 12 LYS CB C 13 37.551 0.400 A 12 LYS CD C 13 30.238 0.400 A 12 LYS CE C 13 42.142 0.400 A 12 LYS CG C 13 24.725 0.400 A 12 LYS N N 15 122.427 0.400 A 13 ARG H H 1 9.304 0.030 A 13 ARG HA H 1 4.784 0.030 A 13 ARG HBy H 1 1.594 0.030 A 13 ARG HBx H 1 1.313 0.030 A 13 ARG HDx H 1 2.058 0.030 A 13 ARG HDy H 1 2.058 0.030 A 13 ARG HGx H 1 1.132 0.030 A 13 ARG HGy H 1 1.132 0.030 A 13 ARG C C 13 171.936 0.300 A 13 ARG CA C 13 54.438 0.400 A 13 ARG CB C 13 32.992 0.400 A 13 ARG CD C 13 42.425 0.400 A 13 ARG CG C 13 25.127 0.400 A 13 ARG N N 15 123.553 0.400 A 14 VAL H H 1 8.176 0.030 A 14 VAL HA H 1 4.665 0.030 A 14 VAL HB H 1 1.756 0.030 A 14 VAL HGx% H 1 0.758 0.030 A 14 VAL HGy% H 1 0.602 0.030 A 14 VAL C C 13 175.933 0.300 A 14 VAL CA C 13 60.941 0.400 A 14 VAL CB C 13 32.817 0.400 A 14 VAL CG1 C 13 20.909 0.400 A 14 VAL CG2 C 13 20.898 0.400 A 14 VAL N N 15 119.507 0.400 A 15 ARG H H 1 8.943 0.030 A 15 ARG HA H 1 4.477 0.030 A 15 ARG HBy H 1 1.501 0.030 A 15 ARG HBx H 1 1.192 0.030 A 15 ARG HDy H 1 3.059 0.030 A 15 ARG HDx H 1 2.758 0.030 A 15 ARG HGy H 1 1.340 0.030 A 15 ARG HGx H 1 1.135 0.030 A 15 ARG CA C 13 54.822 0.400 A 15 ARG CB C 13 33.150 0.400 A 15 ARG CD C 13 42.982 0.400 A 15 ARG CG C 13 27.203 0.400 A 15 ARG N N 15 128.571 0.400 A 16 LYS HA H 1 3.804 0.030 A 16 LYS HBy H 1 1.907 0.030 A 16 LYS HBx H 1 1.729 0.030 A 16 LYS HDy H 1 1.905 0.030 A 16 LYS HDx H 1 1.639 0.030 A 16 LYS HEx H 1 2.934 0.030 A 16 LYS HEy H 1 2.934 0.030 A 16 LYS HGx H 1 1.325 0.030 A 16 LYS HGy H 1 1.325 0.030 A 16 LYS C C 13 176.379 0.300 A 16 LYS CA C 13 56.940 0.400 A 16 LYS CB C 13 29.882 0.400 A 16 LYS CD C 13 29.550 0.400 A 16 LYS CE C 13 42.148 0.400 A 16 LYS CG C 13 25.164 0.400 A 17 GLY H H 1 8.230 0.030 A 17 GLY HAy H 1 4.040 0.030 A 17 GLY HAx H 1 3.410 0.030 A 17 GLY C C 13 173.368 0.300 A 17 GLY CA C 13 45.323 0.400 A 17 GLY N N 15 103.018 0.400 A 18 LYS H H 1 7.714 0.030 A 18 LYS HA H 1 4.575 0.030 A 18 LYS HBy H 1 1.948 0.030 A 18 LYS HBx H 1 1.729 0.030 A 18 LYS HDx H 1 1.690 0.030 A 18 LYS HDy H 1 1.690 0.030 A 18 LYS HEx H 1 3.015 0.030 A 18 LYS HEy H 1 3.015 0.030 A 18 LYS HGy H 1 1.420 0.030 A 18 LYS HGx H 1 1.355 0.030 A 18 LYS C C 13 174.697 0.300 A 18 LYS CA C 13 54.320 0.400 A 18 LYS CB C 13 33.796 0.400 A 18 LYS CD C 13 28.534 0.400 A 18 LYS CE C 13 41.951 0.400 A 18 LYS CG C 13 24.200 0.400 A 18 LYS N N 15 121.641 0.400 A 19 VAL H H 1 8.559 0.030 A 19 VAL HA H 1 4.230 0.030 A 19 VAL HB H 1 1.771 0.030 A 19 VAL HGx% H 1 0.892 0.030 A 19 VAL HGy% H 1 0.442 0.030 A 19 VAL C C 13 175.790 0.300 A 19 VAL CA C 13 62.905 0.400 A 19 VAL CB C 13 31.944 0.400 A 19 VAL CG1 C 13 22.039 0.400 A 19 VAL CG2 C 13 21.971 0.400 A 19 VAL N N 15 124.227 0.400 A 20 GLU H H 1 8.894 0.030 A 20 GLU HA H 1 4.938 0.030 A 20 GLU HBy H 1 2.044 0.030 A 20 GLU HBx H 1 1.835 0.030 A 20 GLU HGy H 1 1.828 0.030 A 20 GLU HGx H 1 1.672 0.030 A 20 GLU C C 13 173.999 0.300 A 20 GLU CA C 13 53.848 0.400 A 20 GLU CB C 13 36.230 0.400 A 20 GLU CG C 13 35.406 0.400 A 20 GLU N N 15 126.181 0.400 A 21 TYR H H 1 9.292 0.030 A 21 TYR HA H 1 5.384 0.030 A 21 TYR HBy H 1 2.727 0.030 A 21 TYR HBx H 1 2.320 0.030 A 21 TYR HD1 H 1 6.739 0.030 A 21 TYR HD2 H 1 6.739 0.030 A 21 TYR HE1 H 1 6.533 0.030 A 21 TYR HE2 H 1 6.533 0.030 A 21 TYR C C 13 173.986 0.300 A 21 TYR CA C 13 55.913 0.400 A 21 TYR CB C 13 42.136 0.400 A 21 TYR CD1 C 13 132.779 0.400 A 21 TYR CE1 C 13 117.174 0.400 A 21 TYR N N 15 117.917 0.400 A 22 LEU H H 1 8.099 0.030 A 22 LEU HA H 1 3.710 0.030 A 22 LEU HBx H 1 -1.491 0.030 A 22 LEU HBy H 1 0.866 0.030 A 22 LEU HDx% H 1 0.313 0.030 A 22 LEU HDy% H 1 -0.573 0.030 A 22 LEU HG H 1 0.529 0.030 A 22 LEU C C 13 174.526 0.300 A 22 LEU CA C 13 53.440 0.400 A 22 LEU CB C 13 40.084 0.400 A 22 LEU CD1 C 13 25.337 0.400 A 22 LEU CD2 C 13 20.139 0.400 A 22 LEU CG C 13 26.503 0.400 A 22 LEU N N 15 127.447 0.400 A 23 VAL H H 1 8.761 0.030 A 23 VAL HA H 1 4.008 0.030 A 23 VAL HB H 1 1.426 0.030 A 23 VAL HGx% H 1 0.220 0.030 A 23 VAL HGy% H 1 -0.291 0.030 A 23 VAL C C 13 173.652 0.300 A 23 VAL CA C 13 61.330 0.400 A 23 VAL CB C 13 33.452 0.400 A 23 VAL CG1 C 13 20.346 0.400 A 23 VAL CG2 C 13 21.178 0.400 A 23 VAL N N 15 127.407 0.400 A 24 LYS H H 1 8.098 0.030 A 24 LYS HA H 1 4.469 0.030 A 24 LYS HBy H 1 1.958 0.030 A 24 LYS HBx H 1 1.282 0.030 A 24 LYS HDy H 1 1.787 0.030 A 24 LYS HDx H 1 1.548 0.030 A 24 LYS HEy H 1 3.067 0.030 A 24 LYS HEx H 1 2.903 0.030 A 24 LYS HGx H 1 1.294 0.030 A 24 LYS HGy H 1 1.294 0.030 A 24 LYS C C 13 175.511 0.300 A 24 LYS CA C 13 54.182 0.400 A 24 LYS CB C 13 33.795 0.400 A 24 LYS CD C 13 28.749 0.400 A 24 LYS CE C 13 43.106 0.400 A 24 LYS CG C 13 25.543 0.400 A 24 LYS N N 15 124.498 0.400 A 25 TRP H H 1 8.551 0.030 A 25 TRP HA H 1 4.868 0.030 A 25 TRP HBy H 1 3.372 0.030 A 25 TRP HBx H 1 3.038 0.030 A 25 TRP HD1 H 1 7.223 0.030 A 25 TRP HE1 H 1 10.192 0.030 A 25 TRP C C 13 177.092 0.300 A 25 TRP CA C 13 55.891 0.400 A 25 TRP CB C 13 30.953 0.400 A 25 TRP CD1 C 13 127.965 0.400 A 25 TRP N N 15 130.890 0.400 A 25 TRP NE1 N 15 129.533 0.400 A 26 LYS H H 1 9.371 0.030 A 26 LYS HA H 1 4.249 0.030 A 26 LYS HBy H 1 1.947 0.030 A 26 LYS HBx H 1 1.684 0.030 A 26 LYS HDx H 1 1.649 0.030 A 26 LYS HDy H 1 1.649 0.030 A 26 LYS HEx H 1 2.949 0.030 A 26 LYS HEy H 1 2.949 0.030 A 26 LYS HGx H 1 1.360 0.030 A 26 LYS HGy H 1 1.360 0.030 A 26 LYS CA C 13 58.197 0.400 A 26 LYS CB C 13 32.889 0.400 A 26 LYS CD C 13 29.461 0.400 A 26 LYS CE C 13 42.167 0.400 A 26 LYS CG C 13 25.314 0.400 A 26 LYS N N 15 125.472 0.400 A 27 GLY H H 1 9.215 0.030 A 27 GLY HAy H 1 4.004 0.030 A 27 GLY HAx H 1 3.530 0.030 A 27 GLY C C 13 173.219 0.300 A 27 GLY CA C 13 45.291 0.400 A 27 GLY N N 15 113.382 0.400 A 28 TRP H H 1 7.664 0.030 A 28 TRP HA H 1 4.940 0.030 A 28 TRP HBy H 1 3.160 0.030 A 28 TRP HBx H 1 3.025 0.030 A 28 TRP HD1 H 1 7.018 0.030 A 28 TRP HZ2 H 1 7.266 0.030 A 28 TRP CA C 13 53.953 0.400 A 28 TRP CB C 13 31.440 0.400 A 28 TRP CD1 C 13 127.046 0.400 A 28 TRP CZ2 C 13 114.455 0.400 A 28 TRP N N 15 119.718 0.400 A 29 PRO HA H 1 4.884 0.030 A 29 PRO HBy H 1 2.656 0.030 A 29 PRO HBx H 1 2.242 0.030 A 29 PRO HDx H 1 3.926 0.030 A 29 PRO HDy H 1 3.926 0.030 A 29 PRO HGx H 1 2.185 0.030 A 29 PRO HGy H 1 2.262 0.030 A 29 PRO CA C 13 62.237 0.400 A 29 PRO CB C 13 31.333 0.400 A 29 PRO CD C 13 51.179 0.400 A 29 PRO CG C 13 27.501 0.400 A 30 PRO HA H 1 4.212 0.030 A 30 PRO HBx H 1 2.270 0.030 A 30 PRO HBy H 1 2.270 0.030 A 30 PRO HDx H 1 3.926 0.030 A 30 PRO HDy H 1 3.926 0.030 A 30 PRO HGy H 1 2.208 0.030 A 30 PRO HGx H 1 1.901 0.030 A 30 PRO CA C 13 65.775 0.400 A 30 PRO CB C 13 31.787 0.400 A 30 PRO CD C 13 51.179 0.400 A 30 PRO CG C 13 27.904 0.400 A 31 LYS HA H 1 4.197 0.030 A 31 LYS HBy H 1 1.816 0.030 A 31 LYS HBx H 1 1.614 0.030 A 31 LYS HDx H 1 1.486 0.030 A 31 LYS HDy H 1 1.486 0.030 A 31 LYS HEx H 1 2.759 0.030 A 31 LYS HEy H 1 2.759 0.030 A 31 LYS HGy H 1 1.006 0.030 A 31 LYS HGx H 1 0.653 0.030 A 31 LYS C C 13 176.661 0.300 A 31 LYS CA C 13 58.561 0.400 A 31 LYS CB C 13 31.400 0.400 A 31 LYS CD C 13 29.322 0.400 A 31 LYS CE C 13 41.999 0.400 A 31 LYS CG C 13 24.014 0.400 A 32 TYR H H 1 8.170 0.030 A 32 TYR HA H 1 4.543 0.030 A 32 TYR HBy H 1 3.332 0.030 A 32 TYR HBx H 1 2.995 0.030 A 32 TYR HD1 H 1 7.069 0.030 A 32 TYR HD2 H 1 7.069 0.030 A 32 TYR HE1 H 1 6.804 0.030 A 32 TYR HE2 H 1 6.804 0.030 A 32 TYR C C 13 175.096 0.300 A 32 TYR CA C 13 58.266 0.400 A 32 TYR CB C 13 37.995 0.400 A 32 TYR CD1 C 13 133.107 0.400 A 32 TYR CE1 C 13 118.261 0.400 A 32 TYR N N 15 118.266 0.400 A 33 SER H H 1 7.767 0.030 A 33 SER HA H 1 4.868 0.030 A 33 SER HBy H 1 3.579 0.030 A 33 SER HBx H 1 3.452 0.030 A 33 SER C C 13 173.984 0.300 A 33 SER CA C 13 61.079 0.400 A 33 SER CB C 13 64.015 0.400 A 33 SER N N 15 116.432 0.400 A 34 THR H H 1 7.822 0.030 A 34 THR HA H 1 4.712 0.030 A 34 THR HB H 1 4.365 0.030 A 34 THR HG2% H 1 1.282 0.030 A 34 THR C C 13 173.310 0.300 A 34 THR CA C 13 59.512 0.400 A 34 THR CB C 13 71.645 0.400 A 34 THR CG2 C 13 23.476 0.400 A 34 THR N N 15 113.493 0.400 A 35 TRP H H 1 8.565 0.030 A 35 TRP HA H 1 4.906 0.030 A 35 TRP HBy H 1 2.925 0.030 A 35 TRP HBx H 1 2.707 0.030 A 35 TRP HD1 H 1 7.139 0.030 A 35 TRP HE1 H 1 9.988 0.030 A 35 TRP HH2 H 1 6.671 0.030 A 35 TRP HZ2 H 1 7.348 0.030 A 35 TRP C C 13 176.786 0.300 A 35 TRP CA C 13 56.412 0.400 A 35 TRP CB C 13 29.392 0.400 A 35 TRP CD1 C 13 127.725 0.400 A 35 TRP CH2 C 13 122.876 0.400 A 35 TRP CZ2 C 13 114.686 0.400 A 35 TRP N N 15 122.619 0.400 A 35 TRP NE1 N 15 129.592 0.400 A 36 GLU H H 1 9.739 0.030 A 36 GLU HA H 1 5.170 0.030 A 36 GLU HBx H 1 1.657 0.030 A 36 GLU HBy H 1 1.657 0.030 A 36 GLU HGy H 1 2.428 0.030 A 36 GLU HGx H 1 2.246 0.030 A 36 GLU CA C 13 51.985 0.400 A 36 GLU CB C 13 32.061 0.400 A 36 GLU CG C 13 35.364 0.400 A 36 GLU N N 15 124.821 0.400 A 37 PRO HA H 1 4.760 0.030 A 37 PRO HBy H 1 2.342 0.030 A 37 PRO HBx H 1 1.970 0.030 A 37 PRO HDy H 1 3.792 0.030 A 37 PRO HDx H 1 3.641 0.030 A 37 PRO HGx H 1 1.792 0.030 A 37 PRO HGy H 1 1.792 0.030 A 37 PRO C C 13 177.600 0.300 A 37 PRO CA C 13 62.354 0.400 A 37 PRO CB C 13 32.552 0.400 A 37 PRO CD C 13 50.500 0.400 A 37 PRO CG C 13 26.537 0.400 A 38 GLU H H 1 8.327 0.030 A 38 GLU HA H 1 3.967 0.030 A 38 GLU HBx H 1 2.228 0.030 A 38 GLU HBy H 1 2.228 0.030 A 38 GLU HGy H 1 2.361 0.030 A 38 GLU HGx H 1 2.255 0.030 A 38 GLU C C 13 177.694 0.300 A 38 GLU CA C 13 59.906 0.400 A 38 GLU CB C 13 30.056 0.400 A 38 GLU CG C 13 35.744 0.400 A 38 GLU N N 15 120.744 0.400 A 39 GLU H H 1 9.596 0.030 A 39 GLU HA H 1 4.215 0.030 A 39 GLU HBx H 1 2.062 0.030 A 39 GLU HBy H 1 2.062 0.030 A 39 GLU HGy H 1 2.304 0.030 A 39 GLU HGx H 1 2.205 0.030 A 39 GLU C C 13 177.177 0.300 A 39 GLU CA C 13 58.691 0.400 A 39 GLU CB C 13 28.515 0.400 A 39 GLU CG C 13 36.153 0.400 A 39 GLU N N 15 117.476 0.400 A 40 HIS H H 1 8.105 0.030 A 40 HIS HA H 1 4.828 0.030 A 40 HIS HBy H 1 3.425 0.030 A 40 HIS HBx H 1 3.239 0.030 A 40 HIS HD2 H 1 6.846 0.030 A 40 HIS C C 13 174.737 0.300 A 40 HIS CA C 13 54.719 0.400 A 40 HIS CB C 13 30.145 0.400 A 40 HIS CD2 C 13 119.519 0.400 A 40 HIS N N 15 116.893 0.400 A 41 ILE H H 1 7.705 0.030 A 41 ILE HA H 1 4.091 0.030 A 41 ILE HB H 1 2.128 0.030 A 41 ILE HD1% H 1 0.532 0.030 A 41 ILE HG1y H 1 1.341 0.030 A 41 ILE HG1x H 1 1.238 0.030 A 41 ILE HG2% H 1 0.692 0.030 A 41 ILE C C 13 175.400 0.300 A 41 ILE CA C 13 60.027 0.400 A 41 ILE CB C 13 35.741 0.400 A 41 ILE CD1 C 13 11.462 0.400 A 41 ILE CG1 C 13 27.223 0.400 A 41 ILE CG2 C 13 18.333 0.400 A 41 ILE N N 15 120.637 0.400 A 42 LEU H H 1 8.291 0.030 A 42 LEU HA H 1 4.217 0.030 A 42 LEU HBy H 1 1.704 0.030 A 42 LEU HBx H 1 1.596 0.030 A 42 LEU HDx% H 1 0.788 0.030 A 42 LEU HDy% H 1 0.824 0.030 A 42 LEU HG H 1 0.917 0.030 A 42 LEU C C 13 176.709 0.300 A 42 LEU CA C 13 55.948 0.400 A 42 LEU CB C 13 41.819 0.400 A 42 LEU CD1 C 13 24.921 0.400 A 42 LEU CD2 C 13 22.802 0.400 A 42 LEU CG C 13 25.192 0.400 A 42 LEU N N 15 125.106 0.400 A 43 ASP H H 1 7.361 0.030 A 43 ASP HA H 1 5.028 0.030 A 43 ASP HBy H 1 2.858 0.030 A 43 ASP HBx H 1 2.532 0.030 A 43 ASP CA C 13 50.584 0.400 A 43 ASP CB C 13 41.706 0.400 A 43 ASP N N 15 118.088 0.400 A 44 PRO HA H 1 4.268 0.030 A 44 PRO HBy H 1 2.350 0.030 A 44 PRO HBx H 1 1.965 0.030 A 44 PRO HDx H 1 3.962 0.030 A 44 PRO HDy H 1 3.962 0.030 A 44 PRO HGx H 1 2.018 0.030 A 44 PRO HGy H 1 2.018 0.030 A 44 PRO C C 13 178.600 0.300 A 44 PRO CA C 13 64.153 0.400 A 44 PRO CB C 13 32.228 0.400 A 44 PRO CD C 13 51.183 0.400 A 44 PRO CG C 13 27.048 0.400 A 45 ARG H H 1 8.262 0.030 A 45 ARG HA H 1 4.039 0.030 A 45 ARG HBx H 1 1.840 0.030 A 45 ARG HBy H 1 1.840 0.030 A 45 ARG HDy H 1 3.169 0.030 A 45 ARG HGx H 1 1.690 0.030 A 45 ARG HGy H 1 1.690 0.030 A 45 ARG C C 13 179.101 0.300 A 45 ARG CA C 13 58.594 0.400 A 45 ARG CB C 13 30.197 0.400 A 45 ARG CD C 13 43.163 0.400 A 45 ARG CG C 13 27.014 0.400 A 45 ARG N N 15 118.068 0.400 A 46 LEU H H 1 7.597 0.030 A 46 LEU HA H 1 4.024 0.030 A 46 LEU HBy H 1 1.701 0.030 A 46 LEU HBx H 1 1.226 0.030 A 46 LEU HDx% H 1 0.840 0.030 A 46 LEU HDy% H 1 0.728 0.030 A 46 LEU HG H 1 1.586 0.030 A 46 LEU C C 13 179.054 0.300 A 46 LEU CA C 13 57.042 0.400 A 46 LEU CB C 13 42.225 0.400 A 46 LEU CD1 C 13 26.057 0.400 A 46 LEU CD2 C 13 23.237 0.400 A 46 LEU CG C 13 27.106 0.400 A 46 LEU N N 15 118.428 0.400 A 47 VAL H H 1 7.009 0.030 A 47 VAL HA H 1 3.428 0.030 A 47 VAL HB H 1 2.043 0.030 A 47 VAL HGx% H 1 0.829 0.030 A 47 VAL HGy% H 1 0.677 0.030 A 47 VAL C C 13 177.327 0.300 A 47 VAL CA C 13 65.262 0.400 A 47 VAL CB C 13 31.991 0.400 A 47 VAL CG1 C 13 21.426 0.400 A 47 VAL CG2 C 13 21.807 0.400 A 47 VAL N N 15 118.745 0.400 A 48 MET H H 1 7.797 0.030 A 48 MET HA H 1 4.128 0.030 A 48 MET HBy H 1 2.057 0.030 A 48 MET HBx H 1 1.989 0.030 A 48 MET HGy H 1 2.581 0.030 A 48 MET HGx H 1 2.508 0.030 A 48 MET C C 13 177.200 0.300 A 48 MET CA C 13 58.091 0.400 A 48 MET CB C 13 32.707 0.400 A 48 MET CG C 13 31.981 0.400 A 48 MET N N 15 119.305 0.400 A 49 ALA H H 1 7.776 0.030 A 49 ALA HA H 1 4.152 0.030 A 49 ALA HB% H 1 1.387 0.030 A 49 ALA C C 13 178.773 0.300 A 49 ALA CA C 13 53.883 0.400 A 49 ALA CB C 13 18.479 0.400 A 49 ALA N N 15 120.020 0.400 A 50 TYR H H 1 7.358 0.030 A 50 TYR HA H 1 4.244 0.030 A 50 TYR HBx H 1 3.005 0.030 A 50 TYR HBy H 1 3.005 0.030 A 50 TYR HD1 H 1 6.974 0.030 A 50 TYR HD2 H 1 6.974 0.030 A 50 TYR HE1 H 1 6.667 0.030 A 50 TYR HE2 H 1 6.667 0.030 A 50 TYR C C 13 174.200 0.300 A 50 TYR CA C 13 60.296 0.400 A 50 TYR CB C 13 38.645 0.400 A 50 TYR CD1 C 13 133.107 0.400 A 50 TYR CE1 C 13 118.150 0.400 A 50 TYR N N 15 118.846 0.400 A 51 GLU H H 1 8.137 0.030 A 51 GLU HA H 1 4.150 0.030 A 51 GLU HBx H 1 1.995 0.030 A 51 GLU HBy H 1 1.995 0.030 A 51 GLU HGy H 1 2.322 0.030 A 51 GLU HGx H 1 2.219 0.030 A 51 GLU C C 13 178.600 0.300 A 51 GLU CA C 13 57.263 0.400 A 51 GLU CB C 13 30.292 0.400 A 51 GLU CG C 13 36.482 0.400 A 51 GLU N N 15 120.386 0.400 A 52 GLU H H 1 8.255 0.030 A 52 GLU HA H 1 4.086 0.030 A 52 GLU HBy H 1 2.009 0.030 A 52 GLU HBx H 1 1.862 0.030 A 52 GLU HGx H 1 2.171 0.030 A 52 GLU HGy H 1 2.171 0.030 A 52 GLU CA C 13 58.032 0.400 A 52 GLU CB C 13 31.242 0.400 A 52 GLU CG C 13 36.677 0.400 A 52 GLU N N 15 118.309 0.400 A 53 LYS HA H 1 4.253 0.030 A 53 LYS HBy H 1 1.816 0.030 A 53 LYS HBx H 1 1.739 0.030 A 53 LYS HDx H 1 1.627 0.030 A 53 LYS HDy H 1 1.627 0.030 A 53 LYS HEx H 1 2.956 0.030 A 53 LYS HEy H 1 2.956 0.030 A 53 LYS HGy H 1 1.410 0.030 A 53 LYS HGx H 1 1.377 0.030 A 53 LYS C C 13 176.300 0.300 A 53 LYS CA C 13 56.393 0.400 A 53 LYS CB C 13 33.142 0.400 A 53 LYS CD C 13 29.114 0.400 A 53 LYS CE C 13 42.081 0.400 A 53 LYS CG C 13 24.549 0.400 A 54 GLU H H 1 8.143 0.030 A 54 GLU HA H 1 4.260 0.030 A 54 GLU HBx H 1 1.831 0.030 A 54 GLU HBy H 1 1.831 0.030 A 54 GLU HGx H 1 2.146 0.030 A 54 GLU HGy H 1 2.146 0.030 A 54 GLU C C 13 177.900 0.300 A 54 GLU CA C 13 56.430 0.400 A 54 GLU CB C 13 30.774 0.400 A 54 GLU CG C 13 36.234 0.400 A 54 GLU N N 15 122.092 0.400 A 55 GLU H H 1 8.293 0.030 A 55 GLU HA H 1 3.715 0.030 A 55 GLU HBx H 1 1.832 0.030 A 55 GLU HBy H 1 1.832 0.030 A 55 GLU HGx H 1 2.352 0.030 A 55 GLU HGy H 1 2.352 0.030 A 55 GLU CA C 13 55.556 0.400 A 55 GLU CB C 13 34.390 0.400 A 55 GLU CG C 13 31.202 0.400 A 55 GLU N N 15 120.875 0.400 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 21 TYR HA A 21 TYR HD% 1.0 1.8 5.0 2 2 A 21 TYR HD% A 38 GLU HA 1.0 1.8 5.0 3 3 A 21 TYR HD% A 9 ILE HG2% 1.0 1.8 3.5 4 4 A 21 TYR HE% A 38 GLU HGx 1.0 1.8 5.0 5 5 A 21 TYR HE% A 12 LYS HDx 1.0 1.8 5.0 6 5 A 21 TYR HE% A 12 LYS HDy 1.0 1.8 5.0 7 6 A 50 TYR HA A 50 TYR HD% 1.0 1.8 5.0 8 7 A 21 TYR HE% A 38 GLU HGy 1.0 1.8 5.0 9 8 A 32 TYR HA A 32 TYR HD% 1.0 1.8 5.0 10 9 A 25 TRP HD1 A 32 TYR HBy 1.0 1.8 5.0 11 10 A 4 PHE HD% A 3 VAL HGy% 1.0 1.8 6.0 12 11 A 21 TYR HA A 21 TYR HE% 1.0 1.8 5.0 13 12 A 38 GLU HA A 21 TYR HE% 1.0 1.8 5.0 14 13 A 9 ILE HG2% A 21 TYR HE% 1.0 1.8 5.0 15 14 A 21 TYR HD% A 20 GLU HA 1.0 1.8 5.0 16 15 A 29 PRO HGy A 32 TYR HE% 1.0 1.8 5.0 17 16 A 32 TYR HE% A 29 PRO HGx 1.0 1.8 5.0 18 17 A 32 TYR HD% A 29 PRO HGy 1.0 1.8 5.0 19 18 A 9 ILE HG2% A 50 TYR HD% 1.0 1.8 5.0 20 19 A 25 TRP HD1 A 33 SER HA 1.0 1.8 5.0 21 20 A 4 PHE HD% A 4 PHE H 1.0 1.8 5.0 22 21 A 21 TYR HE% A 50 TYR HD% 1.0 1.8 5.0 23 22 A 21 TYR HD% A 41 ILE HG2% 1.0 1.8 6.0 24 23 A 21 TYR HD% A 47 VAL HGy% 1.0 1.8 5.0 25 24 A 25 TRP HBx A 28 TRP HD1 1.0 1.8 5.0 26 25 A 28 TRP HD1 A 25 TRP HBy 1.0 1.8 5.0 27 26 A 28 TRP HD1 A 25 TRP HA 1.0 1.8 6.0 28 27 A 28 TRP HD1 A 27 GLY H 1.0 1.8 5.0 29 28 A 32 TYR HD% A 33 SER H 1.0 1.8 6.0 30 29 A 16 LYS HA A 16 LYS HGx 1.0 1.8 3.5 31 29 A 16 LYS HA A 16 LYS HGy 1.0 1.8 3.5 32 30 A 16 LYS HEx A 16 LYS HGx 1.0 1.8 3.5 33 30 A 16 LYS HEy A 16 LYS HGx 1.0 1.8 3.5 34 30 A 16 LYS HGy A 16 LYS HEx 1.0 1.8 3.5 35 30 A 16 LYS HGy A 16 LYS HEy 1.0 1.8 3.5 36 31 A 26 LYS HBx A 26 LYS HEx 1.0 1.8 5.0 37 31 A 26 LYS HBx A 26 LYS HEy 1.0 1.8 5.0 38 32 A 7 GLU HBx A 26 LYS HGx 1.0 1.8 3.5 39 32 A 7 GLU HBy A 26 LYS HGx 1.0 1.8 3.5 40 32 A 26 LYS HGy A 7 GLU HBx 1.0 1.8 3.5 41 32 A 7 GLU HBy A 26 LYS HGy 1.0 1.8 3.5 42 33 A 26 LYS HBx A 26 LYS HDx 1.0 1.8 5.0 43 33 A 26 LYS HBx A 26 LYS HDy 1.0 1.8 5.0 44 34 A 12 LYS HBy A 12 LYS HDx 1.0 1.8 3.5 45 34 A 12 LYS HDy A 12 LYS HBy 1.0 1.8 3.5 46 35 A 7 GLU HA A 7 GLU HGx 1.0 1.8 5.0 47 35 A 7 GLU HA A 7 GLU HGy 1.0 1.8 5.0 48 36 A 2 GLN HA A 2 GLN HGx 1.0 1.8 5.0 49 36 A 2 GLN HA A 2 GLN HGy 1.0 1.8 5.0 50 37 A 26 LYS HA A 26 LYS HGx 1.0 1.8 5.0 51 37 A 26 LYS HGy A 26 LYS HA 1.0 1.8 5.0 52 38 A 34 THR H A 33 SER HBy 1.0 1.8 5.0 53 39 A 10 ARG HA A 10 ARG HDy 1.0 1.8 5.0 54 40 A 10 ARG HA A 10 ARG HGx 1.0 1.8 3.5 55 40 A 10 ARG HA A 10 ARG HGy 1.0 1.8 3.5 56 41 A 10 ARG HA A 10 ARG HDx 1.0 1.8 5.0 57 42 A 10 ARG HDx A 11 LYS HBy 1.0 1.8 5.0 58 43 A 8 SER HA A 9 ILE H 1.0 1.8 3.5 59 44 A 39 GLU HA A 39 GLU HGy 1.0 1.8 5.0 60 45 A 39 GLU HA A 38 GLU HBx 1.0 1.8 5.0 61 45 A 39 GLU HA A 38 GLU HBy 1.0 1.8 5.0 62 46 A 39 GLU HBx A 39 GLU HGy 1.0 1.8 3.5 63 46 A 39 GLU HBy A 39 GLU HGy 1.0 1.8 3.5 64 47 A 39 GLU HA A 39 GLU HGx 1.0 1.8 5.0 65 48 A 39 GLU HBy A 39 GLU HGx 1.0 1.8 3.5 66 48 A 39 GLU HGx A 39 GLU HBx 1.0 1.8 3.5 67 49 A 38 GLU HA A 38 GLU HGx 1.0 1.8 5.0 68 50 A 38 GLU HA A 38 GLU HGy 1.0 1.8 5.0 69 51 A 42 LEU HBy A 42 LEU HDy% 1.0 1.8 5.0 70 52 A 42 LEU HA A 42 LEU HDx% 1.0 1.8 3.5 71 53 A 42 LEU HDx% A 42 LEU HBx 1.0 1.8 3.5 72 54 A 42 LEU HBy A 42 LEU HDx% 1.0 1.8 3.5 73 55 A 42 LEU HDx% A 43 ASP H 1.0 1.8 5.0 74 56 A 42 LEU HA A 42 LEU HG 1.0 1.8 5.0 75 57 A 42 LEU HBx A 42 LEU HG 1.0 1.8 3.5 76 58 A 42 LEU HBy A 42 LEU HG 1.0 1.8 3.5 77 59 A 31 LYS HEy A 31 LYS HBy 1.0 1.8 5.0 78 59 A 31 LYS HBy A 31 LYS HEx 1.0 1.8 5.0 79 60 A 31 LYS HEy A 31 LYS HGx 1.0 1.8 5.0 80 60 A 31 LYS HGx A 31 LYS HEx 1.0 1.8 5.0 81 61 A 31 LYS HEx A 31 LYS HGy 1.0 1.8 5.0 82 61 A 31 LYS HEy A 31 LYS HGy 1.0 1.8 5.0 83 62 A 31 LYS HEy A 31 LYS HBx 1.0 1.8 5.0 84 62 A 31 LYS HBx A 31 LYS HEx 1.0 1.8 5.0 85 63 A 31 LYS HA A 31 LYS HDx 1.0 1.8 5.0 86 63 A 31 LYS HA A 31 LYS HDy 1.0 1.8 5.0 87 64 A 31 LYS HDy A 31 LYS HBy 1.0 1.8 5.0 88 64 A 31 LYS HBy A 31 LYS HDx 1.0 1.8 5.0 89 65 A 31 LYS HDy A 31 LYS HBx 1.0 1.8 5.0 90 65 A 31 LYS HBx A 31 LYS HDx 1.0 1.8 5.0 91 66 A 45 ARG HBx A 45 ARG HGx 1.0 1.8 3.5 92 66 A 45 ARG HGy A 45 ARG HBx 1.0 1.8 3.5 93 66 A 45 ARG HBy A 45 ARG HGy 1.0 1.8 3.5 94 66 A 45 ARG HBy A 45 ARG HGx 1.0 1.8 3.5 95 67 A 45 ARG HA A 45 ARG HGx 1.0 1.8 5.0 96 67 A 45 ARG HGy A 45 ARG HA 1.0 1.8 5.0 97 68 A 46 LEU HBx A 47 VAL H 1.0 1.8 5.0 98 69 A 46 LEU HA A 46 LEU HDy% 1.0 1.8 3.5 99 70 A 46 LEU HBx A 46 LEU HDy% 1.0 1.8 3.5 100 71 A 46 LEU HDy% A 45 ARG HGx 1.0 1.8 3.5 101 71 A 45 ARG HGy A 46 LEU HDy% 1.0 1.8 3.5 102 72 A 46 LEU HDy% A 46 LEU HBy 1.0 1.8 5.0 103 73 A 47 VAL H A 46 LEU HDy% 1.0 1.8 5.0 104 74 A 46 LEU HA A 46 LEU HDx% 1.0 1.8 5.0 105 75 A 46 LEU HBx A 46 LEU HDx% 1.0 1.8 3.5 106 76 A 42 LEU HBy A 46 LEU HDx% 1.0 1.8 3.5 107 77 A 46 LEU HBy A 46 LEU HDx% 1.0 1.8 5.0 108 78 A 46 LEU HA A 46 LEU HG 1.0 1.8 5.0 109 79 A 46 LEU HG A 45 ARG HGx 1.0 1.8 3.5 110 79 A 45 ARG HGy A 46 LEU HG 1.0 1.8 3.5 111 80 A 47 VAL H A 46 LEU HG 1.0 1.8 5.0 112 81 A 49 ALA HA A 53 LYS HGy 1.0 1.8 3.5 113 82 A 47 VAL HA A 49 ALA H 1.0 1.8 5.0 114 83 A 41 ILE HG2% A 47 VAL HB 1.0 1.8 5.0 115 84 A 47 VAL HB A 48 MET H 1.0 1.8 5.0 116 85 A 47 VAL HA A 47 VAL HGx% 1.0 1.8 3.5 117 86 A 47 VAL HGy% A 47 VAL HA 1.0 1.8 3.5 118 87 A 13 ARG HA A 13 ARG HDx 1.0 1.8 5.0 119 87 A 13 ARG HA A 13 ARG HDy 1.0 1.8 5.0 120 88 A 48 MET HA A 48 MET HGy 1.0 1.8 5.0 121 89 A 48 MET HA A 48 MET HGx 1.0 1.8 5.0 122 90 A 48 MET H A 48 MET HGy 1.0 1.8 5.0 123 91 A 49 ALA H A 48 MET HGy 1.0 1.8 5.0 124 92 A 48 MET HGx A 52 GLU HBy 1.0 1.8 5.0 125 93 A 51 GLU H A 50 TYR HBx 1.0 1.8 5.0 126 93 A 50 TYR HBy A 51 GLU H 1.0 1.8 5.0 127 94 A 54 GLU HA A 54 GLU HGx 1.0 1.8 5.0 128 94 A 54 GLU HA A 54 GLU HGy 1.0 1.8 5.0 129 95 A 53 LYS HGy A 53 LYS HA 1.0 1.8 3.5 130 96 A 53 LYS HEy A 53 LYS HBx 1.0 1.8 5.0 131 96 A 53 LYS HBx A 53 LYS HEx 1.0 1.8 5.0 132 97 A 18 LYS HBx A 16 LYS HEx 1.0 1.8 5.0 133 97 A 16 LYS HEy A 18 LYS HBx 1.0 1.8 5.0 134 98 A 26 LYS HEx A 26 LYS HGx 1.0 1.8 3.5 135 98 A 26 LYS HEy A 26 LYS HGx 1.0 1.8 3.5 136 98 A 26 LYS HGy A 26 LYS HEx 1.0 1.8 3.5 137 98 A 26 LYS HEy A 26 LYS HGy 1.0 1.8 3.5 138 99 A 53 LYS HGy A 53 LYS HEx 1.0 1.8 3.5 139 99 A 53 LYS HGy A 53 LYS HEy 1.0 1.8 3.5 140 100 A 52 GLU HBx A 53 LYS HEx 1.0 1.8 5.0 141 100 A 53 LYS HEy A 52 GLU HBx 1.0 1.8 5.0 142 101 A 54 GLU H A 53 LYS HEx 1.0 1.8 6.0 143 101 A 53 LYS HEy A 54 GLU H 1.0 1.8 6.0 144 102 A 53 LYS HGy A 54 GLU H 1.0 1.8 6.0 145 103 A 54 GLU H A 53 LYS HGx 1.0 1.8 6.0 146 104 A 53 LYS HA A 53 LYS HDx 1.0 1.8 5.0 147 104 A 53 LYS HA A 53 LYS HDy 1.0 1.8 5.0 148 105 A 26 LYS HDx A 26 LYS HGx 1.0 1.8 3.5 149 105 A 26 LYS HDy A 26 LYS HGx 1.0 1.8 3.5 150 105 A 26 LYS HGy A 26 LYS HDx 1.0 1.8 3.5 151 105 A 26 LYS HGy A 26 LYS HDy 1.0 1.8 3.5 152 106 A 54 GLU H A 53 LYS HDx 1.0 1.8 6.0 153 106 A 54 GLU H A 53 LYS HDy 1.0 1.8 6.0 154 107 A 53 LYS HEy A 53 LYS HBy 1.0 1.8 5.0 155 107 A 53 LYS HBy A 53 LYS HEx 1.0 1.8 5.0 156 108 A 10 ARG HDx A 11 LYS HBx 1.0 1.8 5.0 157 109 A 11 LYS HBx A 12 LYS H 1.0 1.8 5.0 158 110 A 11 LYS HA A 11 LYS HEx 1.0 1.8 5.0 159 110 A 11 LYS HA A 11 LYS HEy 1.0 1.8 5.0 160 111 A 11 LYS HEx A 11 LYS HGx 1.0 1.8 5.0 161 111 A 11 LYS HEy A 11 LYS HGx 1.0 1.8 5.0 162 112 A 11 LYS HBx A 11 LYS HEx 1.0 1.8 5.0 163 112 A 11 LYS HBx A 11 LYS HEy 1.0 1.8 5.0 164 113 A 11 LYS HGy A 11 LYS HEx 1.0 1.8 5.0 165 113 A 11 LYS HEy A 11 LYS HGy 1.0 1.8 5.0 166 114 A 11 LYS HBy A 11 LYS HEx 1.0 1.8 5.0 167 114 A 11 LYS HBy A 11 LYS HEy 1.0 1.8 5.0 168 115 A 12 LYS H A 11 LYS HEx 1.0 1.8 5.0 169 115 A 12 LYS H A 11 LYS HEy 1.0 1.8 5.0 170 116 A 34 THR HA A 34 THR HB 1.0 1.8 3.5 171 117 A 34 THR HA A 34 THR HG2% 1.0 1.8 2.7 172 118 A 34 THR HA A 35 TRP H 1.0 1.8 3.5 173 119 A 9 ILE HG2% A 9 ILE HA 1.0 1.8 5.0 174 120 A 9 ILE HA A 9 ILE HG1x 1.0 1.8 5.0 175 121 A 9 ILE HA A 9 ILE HD1% 1.0 1.8 5.0 176 122 A 9 ILE HD1% A 9 ILE HB 1.0 1.8 5.0 177 123 A 9 ILE HG2% A 9 ILE HD1% 1.0 1.8 3.5 178 124 A 9 ILE HG2% A 9 ILE HG1x 1.0 1.8 5.0 179 125 A 9 ILE HG2% A 9 ILE HG1y 1.0 1.8 5.0 180 126 A 9 ILE HG1y A 10 ARG H 1.0 1.8 5.0 181 127 A 12 LYS HA A 12 LYS HEx 1.0 1.8 6.0 182 127 A 12 LYS HA A 12 LYS HEy 1.0 1.8 6.0 183 128 A 12 LYS HA A 12 LYS HDx 1.0 1.8 6.0 184 128 A 12 LYS HDy A 12 LYS HA 1.0 1.8 6.0 185 129 A 12 LYS HBx A 12 LYS HEx 1.0 1.8 5.0 186 129 A 12 LYS HEy A 12 LYS HBx 1.0 1.8 5.0 187 130 A 12 LYS HBx A 13 ARG H 1.0 1.8 5.0 188 131 A 12 LYS HBy A 12 LYS HEx 1.0 1.8 5.0 189 131 A 12 LYS HBy A 12 LYS HEy 1.0 1.8 5.0 190 132 A 14 VAL HB A 12 LYS HEx 1.0 1.8 6.0 191 132 A 12 LYS HEy A 14 VAL HB 1.0 1.8 6.0 192 133 A 12 LYS HBx A 12 LYS HDx 1.0 1.8 3.5 193 133 A 12 LYS HDy A 12 LYS HBx 1.0 1.8 3.5 194 134 A 12 LYS HEy A 12 LYS HGy 1.0 1.8 5.0 195 134 A 12 LYS HEx A 12 LYS HGy 1.0 1.8 5.0 196 135 A 12 LYS HEy A 12 LYS HGx 1.0 1.8 5.0 197 135 A 12 LYS HGx A 12 LYS HEx 1.0 1.8 5.0 198 136 A 18 LYS HA A 18 LYS HGx 1.0 1.8 5.0 199 137 A 18 LYS HBy A 18 LYS HEx 1.0 1.8 5.0 200 137 A 18 LYS HBy A 18 LYS HEy 1.0 1.8 5.0 201 138 A 18 LYS HBy A 16 LYS HGx 1.0 1.8 5.0 202 138 A 16 LYS HGy A 18 LYS HBy 1.0 1.8 5.0 203 139 A 24 LYS HBx A 25 TRP H 1.0 1.8 5.0 204 140 A 18 LYS HBx A 18 LYS HEx 1.0 1.8 5.0 205 140 A 18 LYS HBx A 18 LYS HEy 1.0 1.8 5.0 206 141 A 18 LYS HBx A 16 LYS HGx 1.0 1.8 5.0 207 141 A 16 LYS HGy A 18 LYS HBx 1.0 1.8 5.0 208 142 A 18 LYS HBx A 19 VAL H 1.0 1.8 5.0 209 143 A 18 LYS HA A 18 LYS HEx 1.0 1.8 5.0 210 143 A 18 LYS HA A 18 LYS HEy 1.0 1.8 5.0 211 144 A 18 LYS HGx A 18 LYS HEx 1.0 1.8 5.0 212 144 A 18 LYS HGx A 18 LYS HEy 1.0 1.8 5.0 213 145 A 18 LYS HGy A 18 LYS HEx 1.0 1.8 5.0 214 145 A 18 LYS HEy A 18 LYS HGy 1.0 1.8 5.0 215 146 A 18 LYS HGx A 37 PRO HBy 1.0 1.8 5.0 216 147 A 18 LYS HA A 18 LYS HGy 1.0 1.8 5.0 217 148 A 18 LYS HA A 18 LYS HDx 1.0 1.8 5.0 218 148 A 18 LYS HA A 18 LYS HDy 1.0 1.8 5.0 219 149 A 18 LYS HBy A 18 LYS HDx 1.0 1.8 5.0 220 149 A 18 LYS HBy A 18 LYS HDy 1.0 1.8 5.0 221 150 A 3 VAL HA A 3 VAL HGx% 1.0 1.8 3.5 222 151 A 4 PHE H A 3 VAL HB 1.0 1.8 5.0 223 152 A 3 VAL HA A 3 VAL HGy% 1.0 1.8 3.5 224 153 A 23 VAL HA A 23 VAL HGx% 1.0 1.8 5.0 225 154 A 23 VAL HA A 23 VAL HGy% 1.0 1.8 5.0 226 155 A 5 ALA HB% A 6 VAL H 1.0 1.8 5.0 227 156 A 41 ILE HA A 41 ILE HD1% 1.0 1.8 5.0 228 157 A 41 ILE HD1% A 41 ILE HB 1.0 1.8 5.0 229 158 A 41 ILE HG2% A 41 ILE HD1% 1.0 1.8 3.5 230 159 A 41 ILE HG2% A 41 ILE HA 1.0 1.8 3.5 231 160 A 41 ILE HG2% A 41 ILE HG1x 1.0 1.8 3.5 232 161 A 41 ILE HG2% A 41 ILE HG1y 1.0 1.8 3.5 233 162 A 41 ILE HG2% A 42 LEU H 1.0 1.8 5.0 234 163 A 41 ILE HA A 41 ILE HG1x 1.0 1.8 5.0 235 164 A 1 GLU HA A 1 GLU HGx 1.0 1.8 5.0 236 165 A 1 GLU HA A 1 GLU HGy 1.0 1.8 5.0 237 166 A 26 LYS HA A 7 GLU HBx 1.0 1.8 5.0 238 166 A 7 GLU HBy A 26 LYS HA 1.0 1.8 5.0 239 167 A 19 VAL HA A 19 VAL HGx% 1.0 1.8 3.5 240 168 A 19 VAL HA A 19 VAL HGy% 1.0 1.8 3.5 241 169 A 22 LEU HA A 22 LEU HDy% 1.0 1.8 5.0 242 170 A 22 LEU HBy A 22 LEU HDy% 1.0 1.8 5.0 243 171 A 22 LEU HA A 22 LEU HDx% 1.0 1.8 5.0 244 172 A 22 LEU HBy A 22 LEU HDx% 1.0 1.8 5.0 245 173 A 14 VAL HB A 15 ARG H 1.0 1.8 5.0 246 174 A 14 VAL HA A 14 VAL HGx% 1.0 1.8 3.5 247 175 A 14 VAL HA A 14 VAL HGy% 1.0 1.8 3.5 248 176 A 24 LYS HA A 24 LYS HDy 1.0 1.8 5.0 249 177 A 24 LYS HA A 24 LYS HDx 1.0 1.8 5.0 250 178 A 24 LYS HBy A 7 GLU HBx 1.0 1.8 6.0 251 178 A 7 GLU HBy A 24 LYS HBy 1.0 1.8 6.0 252 179 A 25 TRP H A 24 LYS HEx 1.0 1.8 5.0 253 180 A 37 PRO HBx A 38 GLU H 1.0 1.8 5.0 254 181 A 6 VAL HA A 6 VAL HGy% 1.0 1.8 3.5 255 182 A 46 LEU HDy% A 6 VAL HGx% 1.0 1.8 3.5 256 183 A 6 VAL HA A 6 VAL HGx% 1.0 1.8 5.0 257 184 A 52 GLU HBy A 52 GLU HGx 1.0 1.8 2.7 258 184 A 52 GLU HBy A 52 GLU HGy 1.0 1.8 2.7 259 185 A 52 GLU HA A 52 GLU HGx 1.0 1.8 5.0 260 185 A 52 GLU HGy A 52 GLU HA 1.0 1.8 5.0 261 186 A 29 PRO HBy A 30 PRO HDx 1.0 1.8 5.0 262 186 A 29 PRO HBy A 30 PRO HDy 1.0 1.8 5.0 263 187 A 29 PRO HA A 30 PRO HDx 1.0 1.8 3.5 264 187 A 30 PRO HDy A 29 PRO HA 1.0 1.8 3.5 265 188 A 28 TRP HA A 29 PRO HDx 1.0 1.8 3.5 266 188 A 28 TRP HA A 29 PRO HDy 1.0 1.8 3.5 267 189 A 29 PRO HBx A 30 PRO HDx 1.0 1.8 5.0 268 189 A 30 PRO HDy A 29 PRO HBx 1.0 1.8 5.0 269 190 A 15 ARG HA A 15 ARG HDx 1.0 1.8 5.0 270 191 A 15 ARG HA A 15 ARG HGx 1.0 1.8 5.0 271 192 A 15 ARG HA A 15 ARG HGy 1.0 1.8 5.0 272 193 A 16 LYS HA A 18 LYS H 1.0 1.8 5.0 273 194 A 32 TYR HBy A 30 PRO HA 1.0 1.8 6.0 274 195 A 43 ASP HA A 44 PRO HDx 1.0 1.8 3.5 275 195 A 43 ASP HA A 44 PRO HDy 1.0 1.8 3.5 276 196 A 45 ARG HA A 44 PRO HGx 1.0 1.8 5.0 277 196 A 45 ARG HA A 44 PRO HGy 1.0 1.8 5.0 278 197 A 45 ARG HA A 48 MET HGy 1.0 1.8 5.0 279 198 A 8 SER HA A 46 LEU HDy% 1.0 1.8 5.0 280 199 A 46 LEU HDx% A 43 ASP HBy 1.0 1.8 5.0 281 200 A 46 LEU HDx% A 6 VAL HB 1.0 1.8 5.0 282 201 A 46 LEU HA A 49 ALA HB% 1.0 1.8 3.5 283 202 A 47 VAL HA A 9 ILE HD1% 1.0 1.8 5.0 284 203 A 46 LEU HA A 9 ILE HD1% 1.0 1.8 5.0 285 204 A 46 LEU HBx A 9 ILE HD1% 1.0 1.8 5.0 286 205 A 41 ILE HG2% A 9 ILE HD1% 1.0 1.8 5.0 287 206 A 47 VAL HGy% A 9 ILE HD1% 1.0 1.8 5.0 288 207 A 46 LEU HBy A 9 ILE HD1% 1.0 1.8 5.0 289 208 A 6 VAL HGx% A 23 VAL HB 1.0 1.8 5.0 290 209 A 23 VAL HGx% A 6 VAL HA 1.0 1.8 5.0 291 210 A 23 VAL HGx% A 6 VAL HGy% 1.0 1.8 3.5 292 211 A 23 VAL HGx% A 6 VAL HGx% 1.0 1.8 3.5 293 212 A 23 VAL HGy% A 6 VAL HGy% 1.0 1.8 5.0 294 213 A 23 VAL HGy% A 36 GLU HBx 1.0 1.8 5.0 295 213 A 23 VAL HGy% A 36 GLU HBy 1.0 1.8 5.0 296 214 A 23 VAL HGy% A 36 GLU HGy 1.0 1.8 5.0 297 215 A 23 VAL HGy% A 36 GLU HGx 1.0 1.8 5.0 298 216 A 23 VAL HGy% A 23 VAL H 1.0 1.8 5.0 299 217 A 5 ALA HB% A 5 ALA H 1.0 1.8 5.0 300 218 A 53 LYS HA A 53 LYS HEx 1.0 1.8 5.0 301 218 A 53 LYS HA A 53 LYS HEy 1.0 1.8 5.0 302 219 A 41 ILE HG2% A 42 LEU HBy 1.0 1.8 5.0 303 220 A 47 VAL HGx% A 44 PRO HA 1.0 1.8 3.5 304 221 A 32 TYR HE% A 31 LYS HEx 1.0 1.8 5.0 305 221 A 32 TYR HE% A 31 LYS HEy 1.0 1.8 5.0 306 222 A 44 PRO HGy A 45 ARG HBx 1.0 1.8 5.0 307 222 A 44 PRO HGx A 45 ARG HBx 1.0 1.8 5.0 308 222 A 45 ARG HBy A 44 PRO HGx 1.0 1.8 5.0 309 222 A 45 ARG HBy A 44 PRO HGy 1.0 1.8 5.0 310 223 A 45 ARG H A 45 ARG HGx 1.0 1.8 5.0 311 223 A 45 ARG HGy A 45 ARG H 1.0 1.8 5.0 312 224 A 46 LEU HDy% A 5 ALA HB% 1.0 1.8 5.0 313 225 A 49 ALA HA A 48 MET HGx 1.0 1.8 5.0 314 226 A 49 ALA HB% A 53 LYS HDx 1.0 1.8 5.0 315 226 A 53 LYS HDy A 49 ALA HB% 1.0 1.8 5.0 316 227 A 47 VAL HA A 48 MET HA 1.0 1.8 5.0 317 228 A 47 VAL HA A 50 TYR HBx 1.0 1.8 5.0 318 228 A 47 VAL HA A 50 TYR HBy 1.0 1.8 5.0 319 229 A 21 TYR HE% A 47 VAL HB 1.0 1.8 5.0 320 230 A 21 TYR HE% A 47 VAL HGx% 1.0 1.8 5.0 321 231 A 47 VAL HGy% A 44 PRO HA 1.0 1.8 5.0 322 232 A 21 TYR HE% A 47 VAL HGy% 1.0 1.8 5.0 323 233 A 47 VAL HGy% A 48 MET HA 1.0 1.8 5.0 324 234 A 45 ARG HA A 48 MET HBy 1.0 1.8 5.0 325 235 A 9 ILE HB A 50 TYR HBx 1.0 1.8 5.0 326 235 A 50 TYR HBy A 9 ILE HB 1.0 1.8 5.0 327 236 A 18 LYS HGy A 37 PRO HBx 1.0 1.8 5.0 328 237 A 48 MET H A 48 MET HBy 1.0 1.8 5.0 329 238 A 28 TRP HD1 A 26 LYS HBy 1.0 1.8 5.0 330 239 A 36 GLU HA A 37 PRO HDx 1.0 1.8 3.5 331 240 A 36 GLU HA A 37 PRO HDy 1.0 1.8 3.5 332 241 A 18 LYS HGy A 37 PRO HGx 1.0 1.8 5.0 333 241 A 18 LYS HGy A 37 PRO HGy 1.0 1.8 5.0 334 242 A 6 VAL HGy% A 23 VAL HB 1.0 1.8 5.0 335 243 A 6 VAL H A 6 VAL HGy% 1.0 1.8 5.0 336 244 A 9 ILE HD1% A 6 VAL HGx% 1.0 1.8 5.0 337 245 A 23 VAL HGy% A 6 VAL HGx% 1.0 1.8 5.0 338 246 A 46 LEU HDx% A 6 VAL HGx% 1.0 1.8 3.5 339 247 A 5 ALA HB% A 6 VAL HGx% 1.0 1.8 5.0 340 248 A 42 LEU HBy A 6 VAL HGx% 1.0 1.8 5.0 341 249 A 46 LEU HBy A 6 VAL HGx% 1.0 1.8 5.0 342 250 A 7 GLU HA A 6 VAL HGx% 1.0 1.8 5.0 343 251 A 6 VAL H A 6 VAL HGx% 1.0 1.8 5.0 344 252 A 6 VAL HA A 5 ALA HA 1.0 1.8 5.0 345 253 A 18 LYS HGy A 37 PRO HBy 1.0 1.8 5.0 346 254 A 37 PRO HBy A 18 LYS HDx 1.0 1.8 5.0 347 254 A 37 PRO HBy A 18 LYS HDy 1.0 1.8 5.0 348 255 A 6 VAL HB A 5 ALA HA 1.0 1.8 5.0 349 256 A 52 GLU HGx A 53 LYS HEx 1.0 1.8 5.0 350 256 A 53 LYS HEy A 52 GLU HGx 1.0 1.8 5.0 351 256 A 53 LYS HEy A 52 GLU HGy 1.0 1.8 5.0 352 256 A 52 GLU HGy A 53 LYS HEx 1.0 1.8 5.0 353 257 A 53 LYS HA A 52 GLU HGx 1.0 1.8 5.0 354 257 A 53 LYS HA A 52 GLU HGy 1.0 1.8 5.0 355 258 A 41 ILE HG1y A 36 GLU HBx 1.0 1.8 5.0 356 258 A 41 ILE HG1y A 36 GLU HBy 1.0 1.8 5.0 357 259 A 30 PRO HA A 32 TYR H 1.0 1.8 5.0 358 260 A 32 TYR HD% A 29 PRO HBy 1.0 1.8 5.0 359 261 A 28 TRP HBx A 29 PRO HDx 1.0 1.8 5.0 360 261 A 29 PRO HDy A 28 TRP HBx 1.0 1.8 5.0 361 262 A 32 TYR HE% A 29 PRO HDx 1.0 1.8 5.0 362 262 A 32 TYR HE% A 29 PRO HDy 1.0 1.8 5.0 363 263 A 32 TYR HD% A 29 PRO HDx 1.0 1.8 5.0 364 263 A 32 TYR HD% A 29 PRO HDy 1.0 1.8 5.0 365 264 A 32 TYR HD% A 29 PRO HBx 1.0 1.8 5.0 366 265 A 45 ARG HGy A 43 ASP HBy 1.0 1.8 5.0 367 265 A 43 ASP HBy A 45 ARG HGx 1.0 1.8 5.0 368 266 A 43 ASP H A 43 ASP HBy 1.0 1.8 5.0 369 267 A 26 LYS HDx A 26 LYS HEx 1.0 1.8 3.5 370 267 A 26 LYS HDy A 26 LYS HEx 1.0 1.8 3.5 371 267 A 26 LYS HEy A 26 LYS HDx 1.0 1.8 3.5 372 267 A 26 LYS HEy A 26 LYS HDy 1.0 1.8 3.5 373 268 A 53 LYS HDy A 53 LYS HEx 1.0 1.8 3.5 374 268 A 53 LYS HDx A 53 LYS HEx 1.0 1.8 3.5 375 268 A 53 LYS HEy A 53 LYS HDx 1.0 1.8 3.5 376 268 A 53 LYS HEy A 53 LYS HDy 1.0 1.8 3.5 377 269 A 29 PRO HA A 30 PRO HBx 1.0 1.8 5.0 378 269 A 29 PRO HA A 30 PRO HBy 1.0 1.8 5.0 379 270 A 32 TYR HD% A 29 PRO HGx 1.0 1.8 5.0 380 271 A 4 PHE HD% A 3 VAL HA 1.0 1.8 5.0 381 272 A 22 LEU HBx A 22 LEU HDy% 1.0 1.8 5.0 382 273 A 35 TRP HE1 A 22 LEU HDy% 1.0 1.8 5.0 383 274 A 33 SER HBx A 22 LEU HDy% 1.0 1.8 5.0 384 275 A 1 GLU HA A 3 VAL H 1.0 1.8 5.0 385 276 A 4 PHE HD% A 2 GLN HA 1.0 1.8 6.0 386 277 A 2 GLN HA A 4 PHE HE% 1.0 1.8 6.0 387 278 A 4 PHE HD% A 3 VAL HGx% 1.0 1.8 6.0 388 279 A 3 VAL H A 3 VAL HGx% 1.0 1.8 5.0 389 280 A 4 PHE HD% A 4 PHE HA 1.0 1.8 5.0 390 281 A 42 LEU HBy A 5 ALA HB% 1.0 1.8 5.0 391 282 A 25 TRP HA A 6 VAL HGy% 1.0 1.8 5.0 392 283 A 7 GLU HA A 6 VAL HGy% 1.0 1.8 6.0 393 284 A 9 ILE HA A 6 VAL HGx% 1.0 1.8 5.0 394 285 A 6 VAL HB A 23 VAL HB 1.0 1.8 6.0 395 286 A 7 GLU HA A 26 LYS HGx 1.0 1.8 5.0 396 286 A 26 LYS HGy A 7 GLU HA 1.0 1.8 5.0 397 287 A 8 SER HA A 6 VAL HGx% 1.0 1.8 5.0 398 288 A 8 SER H A 8 SER HBy 1.0 1.8 5.0 399 289 A 9 ILE HD1% A 23 VAL HGx% 1.0 1.8 5.0 400 290 A 9 ILE HD1% A 21 TYR HBx 1.0 1.8 5.0 401 291 A 9 ILE HD1% A 50 TYR HBx 1.0 1.8 5.0 402 291 A 50 TYR HBy A 9 ILE HD1% 1.0 1.8 5.0 403 292 A 21 TYR HD% A 9 ILE HD1% 1.0 1.8 5.0 404 293 A 21 TYR HE% A 9 ILE HD1% 1.0 1.8 5.0 405 294 A 9 ILE HG2% A 22 LEU HBx 1.0 1.8 5.0 406 295 A 9 ILE HG2% A 23 VAL HA 1.0 1.8 5.0 407 296 A 9 ILE HG2% A 50 TYR HBx 1.0 1.8 5.0 408 296 A 9 ILE HG2% A 50 TYR HBy 1.0 1.8 5.0 409 297 A 9 ILE HG2% A 12 LYS HBx 1.0 1.8 5.0 410 298 A 50 TYR HA A 9 ILE HG1x 1.0 1.8 6.0 411 299 A 9 ILE HG1y A 50 TYR HBx 1.0 1.8 6.0 412 299 A 50 TYR HBy A 9 ILE HG1y 1.0 1.8 6.0 413 300 A 9 ILE HG2% A 10 ARG HA 1.0 1.8 5.0 414 301 A 10 ARG H A 10 ARG HBy 1.0 1.8 5.0 415 302 A 22 LEU HBy A 10 ARG HBx 1.0 1.8 5.0 416 303 A 10 ARG HDx A 22 LEU HDy% 1.0 1.8 6.0 417 304 A 10 ARG H A 10 ARG HGx 1.0 1.8 5.0 418 304 A 10 ARG HGy A 10 ARG H 1.0 1.8 5.0 419 305 A 22 LEU HG A 10 ARG HGx 1.0 1.8 5.0 420 305 A 10 ARG HGy A 22 LEU HG 1.0 1.8 5.0 421 306 A 10 ARG HDy A 11 LYS HBy 1.0 1.8 5.0 422 307 A 11 LYS HBy A 50 TYR HE% 1.0 1.8 5.0 423 308 A 50 TYR HD% A 11 LYS HBy 1.0 1.8 6.0 424 309 A 21 TYR HD% A 12 LYS HBy 1.0 1.8 5.0 425 310 A 11 LYS HBx A 22 LEU HBy 1.0 1.8 5.0 426 311 A 12 LYS HA A 50 TYR HE% 1.0 1.8 5.0 427 312 A 21 TYR HD% A 12 LYS HA 1.0 1.8 5.0 428 313 A 12 LYS HA A 22 LEU H 1.0 1.8 5.0 429 314 A 21 TYR HD% A 12 LYS HBx 1.0 1.8 5.0 430 315 A 12 LYS HBx A 11 LYS H 1.0 1.8 6.0 431 316 A 21 TYR HE% A 12 LYS HEx 1.0 1.8 6.0 432 316 A 21 TYR HE% A 12 LYS HEy 1.0 1.8 6.0 433 317 A 12 LYS H A 12 LYS HEx 1.0 1.8 6.0 434 317 A 12 LYS H A 12 LYS HEy 1.0 1.8 6.0 435 318 A 21 TYR HD% A 12 LYS HDx 1.0 1.8 5.0 436 318 A 21 TYR HD% A 12 LYS HDy 1.0 1.8 5.0 437 319 A 50 TYR HE% A 12 LYS HDx 1.0 1.8 6.0 438 319 A 12 LYS HDy A 50 TYR HE% 1.0 1.8 6.0 439 320 A 13 ARG H A 13 ARG HDx 1.0 1.8 6.0 440 320 A 13 ARG HDy A 13 ARG H 1.0 1.8 6.0 441 321 A 13 ARG H A 13 ARG HGx 1.0 1.8 5.0 442 321 A 13 ARG H A 13 ARG HGy 1.0 1.8 5.0 443 322 A 13 ARG HGy A 14 VAL HGx% 1.0 1.8 6.0 444 322 A 13 ARG HGx A 14 VAL HGx% 1.0 1.8 6.0 445 323 A 19 VAL HA A 14 VAL HGx% 1.0 1.8 5.0 446 324 A 19 VAL H A 14 VAL HGx% 1.0 1.8 5.0 447 325 A 39 GLU HA A 41 ILE HG1y 1.0 1.8 6.0 448 326 A 15 ARG H A 15 ARG HGx 1.0 1.8 6.0 449 327 A 26 LYS HA A 26 LYS HDx 1.0 1.8 5.0 450 327 A 26 LYS HDy A 26 LYS HA 1.0 1.8 5.0 451 328 A 18 LYS HGx A 18 LYS H 1.0 1.8 5.0 452 329 A 37 PRO HA A 18 LYS HDx 1.0 1.8 5.0 453 329 A 18 LYS HDy A 37 PRO HA 1.0 1.8 5.0 454 330 A 20 GLU HA A 19 VAL HA 1.0 1.8 5.0 455 331 A 18 LYS HA A 19 VAL HB 1.0 1.8 5.0 456 332 A 19 VAL H A 19 VAL HB 1.0 1.8 3.5 457 333 A 12 LYS HEy A 19 VAL HGx% 1.0 1.8 5.0 458 333 A 12 LYS HEx A 19 VAL HGx% 1.0 1.8 5.0 459 334 A 12 LYS HEy A 19 VAL HGy% 1.0 1.8 5.0 460 334 A 19 VAL HGy% A 12 LYS HEx 1.0 1.8 5.0 461 335 A 35 TRP HBx A 20 GLU HGx 1.0 1.8 6.0 462 336 A 21 TYR HA A 20 GLU HA 1.0 1.8 5.0 463 337 A 21 TYR HA A 12 LYS HBy 1.0 1.8 5.0 464 338 A 21 TYR HA A 12 LYS HBx 1.0 1.8 5.0 465 339 A 32 TYR H A 31 LYS HEx 1.0 1.8 5.0 466 339 A 31 LYS HEy A 32 TYR H 1.0 1.8 5.0 467 340 A 22 LEU HA A 35 TRP HA 1.0 1.8 5.0 468 341 A 21 TYR HA A 22 LEU HA 1.0 1.8 5.0 469 342 A 22 LEU HA A 23 VAL HB 1.0 1.8 6.0 470 343 A 23 VAL HGy% A 22 LEU HA 1.0 1.8 5.0 471 344 A 9 ILE HG2% A 22 LEU HA 1.0 1.8 6.0 472 345 A 23 VAL HGx% A 22 LEU HA 1.0 1.8 5.0 473 346 A 22 LEU HDy% A 33 SER HBy 1.0 1.8 5.0 474 347 A 22 LEU HBx A 22 LEU HDx% 1.0 1.8 5.0 475 348 A 10 ARG HDx A 22 LEU HDx% 1.0 1.8 6.0 476 349 A 35 TRP HZ2 A 22 LEU HDx% 1.0 1.8 5.0 477 350 A 10 ARG HDy A 22 LEU HG 1.0 1.8 6.0 478 351 A 22 LEU HBy A 35 TRP HE1 1.0 1.8 6.0 479 352 A 12 LYS HA A 22 LEU HBy 1.0 1.8 6.0 480 353 A 21 TYR HA A 22 LEU HBy 1.0 1.8 6.0 481 354 A 22 LEU HBy A 10 ARG HBy 1.0 1.8 5.0 482 355 A 23 VAL HA A 6 VAL HGx% 1.0 1.8 5.0 483 356 A 23 VAL HA A 22 LEU HG 1.0 1.8 6.0 484 357 A 6 VAL HA A 23 VAL HB 1.0 1.8 6.0 485 358 A 24 LYS H A 24 LYS HGx 1.0 1.8 5.0 486 358 A 24 LYS H A 24 LYS HGy 1.0 1.8 5.0 487 359 A 25 TRP HA A 24 LYS HBx 1.0 1.8 5.0 488 360 A 25 TRP HBx A 26 LYS HBy 1.0 1.8 5.0 489 361 A 26 LYS HBy A 26 LYS HEx 1.0 1.8 5.0 490 361 A 26 LYS HEy A 26 LYS HBy 1.0 1.8 5.0 491 362 A 25 TRP HA A 26 LYS HGx 1.0 1.8 5.0 492 362 A 25 TRP HA A 26 LYS HGy 1.0 1.8 5.0 493 363 A 47 VAL H A 48 MET HBx 1.0 1.8 6.0 494 364 A 47 VAL HGx% A 48 MET HBx 1.0 1.8 5.0 495 365 A 47 VAL HGy% A 48 MET HBx 1.0 1.8 5.0 496 366 A 45 ARG H A 48 MET HBx 1.0 1.8 6.0 497 367 A 45 ARG HA A 48 MET HBx 1.0 1.8 5.0 498 368 A 48 MET HGy A 45 ARG HBx 1.0 1.8 5.0 499 368 A 45 ARG HBy A 48 MET HGy 1.0 1.8 5.0 500 369 A 48 MET HGy A 45 ARG HGx 1.0 1.8 6.0 501 369 A 45 ARG HGy A 48 MET HGy 1.0 1.8 6.0 502 370 A 49 ALA HA A 48 MET HGy 1.0 1.8 6.0 503 371 A 47 VAL H A 48 MET HGy 1.0 1.8 5.0 504 372 A 29 PRO HGx A 28 TRP HBx 1.0 1.8 5.0 505 373 A 25 TRP HBx A 26 LYS H 1.0 1.8 5.0 506 374 A 29 PRO HGx A 30 PRO HA 1.0 1.8 6.0 507 375 A 29 PRO HGx A 31 LYS HA 1.0 1.8 6.0 508 376 A 28 TRP H A 29 PRO HDx 1.0 1.8 5.0 509 376 A 29 PRO HDy A 28 TRP H 1.0 1.8 5.0 510 377 A 41 ILE HG2% A 44 PRO HDx 1.0 1.8 6.0 511 377 A 41 ILE HG2% A 44 PRO HDy 1.0 1.8 6.0 512 378 A 47 VAL HGx% A 44 PRO HDx 1.0 1.8 6.0 513 378 A 47 VAL HGx% A 44 PRO HDy 1.0 1.8 6.0 514 379 A 29 PRO HBx A 32 TYR H 1.0 1.8 6.0 515 380 A 29 PRO HBx A 31 LYS HEx 1.0 1.8 6.0 516 380 A 31 LYS HEy A 29 PRO HBx 1.0 1.8 6.0 517 381 A 29 PRO HGx A 31 LYS HEx 1.0 1.8 6.0 518 381 A 29 PRO HGx A 31 LYS HEy 1.0 1.8 6.0 519 382 A 32 TYR HD% A 31 LYS HBx 1.0 1.8 6.0 520 383 A 29 PRO HGy A 31 LYS HDx 1.0 1.8 5.0 521 383 A 29 PRO HGy A 31 LYS HDy 1.0 1.8 5.0 522 384 A 32 TYR HBy A 31 LYS HDx 1.0 1.8 6.0 523 384 A 32 TYR HBy A 31 LYS HDy 1.0 1.8 6.0 524 385 A 32 TYR HE% A 31 LYS HDx 1.0 1.8 5.0 525 385 A 32 TYR HE% A 31 LYS HDy 1.0 1.8 5.0 526 386 A 32 TYR HBy A 25 TRP H 1.0 1.8 6.0 527 387 A 32 TYR HBy A 25 TRP HE1 1.0 1.8 6.0 528 388 A 22 LEU HDx% A 33 SER HBy 1.0 1.8 5.0 529 389 A 22 LEU HDx% A 33 SER HBx 1.0 1.8 5.0 530 390 A 33 SER HA A 34 THR HG2% 1.0 1.8 5.0 531 391 A 38 GLU H A 38 GLU HGx 1.0 1.8 5.0 532 392 A 37 PRO HDx A 36 GLU HBx 1.0 1.8 5.0 533 392 A 36 GLU HBy A 37 PRO HDx 1.0 1.8 5.0 534 393 A 37 PRO HBx A 18 LYS HEx 1.0 1.8 5.0 535 393 A 18 LYS HEy A 37 PRO HBx 1.0 1.8 5.0 536 394 A 37 PRO HDx A 36 GLU H 1.0 1.8 5.0 537 395 A 37 PRO HDy A 36 GLU H 1.0 1.8 5.0 538 396 A 38 GLU HA A 41 ILE H 1.0 1.8 5.0 539 397 A 38 GLU HA A 37 PRO HA 1.0 1.8 5.0 540 398 A 19 VAL HB A 38 GLU HBx 1.0 1.8 5.0 541 398 A 38 GLU HBy A 19 VAL HB 1.0 1.8 5.0 542 399 A 37 PRO HA A 38 GLU HBx 1.0 1.8 5.0 543 399 A 38 GLU HBy A 37 PRO HA 1.0 1.8 5.0 544 400 A 21 TYR HE% A 38 GLU HBx 1.0 1.8 5.0 545 400 A 21 TYR HE% A 38 GLU HBy 1.0 1.8 5.0 546 401 A 38 GLU H A 38 GLU HGy 1.0 1.8 5.0 547 402 A 37 PRO HDy A 39 GLU HBx 1.0 1.8 6.0 548 402 A 39 GLU HBy A 37 PRO HDy 1.0 1.8 6.0 549 403 A 40 HIS HBx A 36 GLU HBx 1.0 1.8 5.0 550 403 A 36 GLU HBy A 40 HIS HBx 1.0 1.8 5.0 551 404 A 40 HIS HBy A 36 GLU HBx 1.0 1.8 5.0 552 404 A 36 GLU HBy A 40 HIS HBy 1.0 1.8 5.0 553 405 A 41 ILE HA A 40 HIS HBy 1.0 1.8 6.0 554 406 A 41 ILE H A 40 HIS HBy 1.0 1.8 5.0 555 407 A 43 ASP H A 41 ILE HA 1.0 1.8 5.0 556 408 A 41 ILE HA A 36 GLU HBx 1.0 1.8 5.0 557 408 A 41 ILE HA A 36 GLU HBy 1.0 1.8 5.0 558 409 A 42 LEU HBy A 41 ILE HA 1.0 1.8 6.0 559 410 A 42 LEU HA A 41 ILE HB 1.0 1.8 5.0 560 411 A 41 ILE HB A 40 HIS H 1.0 1.8 6.0 561 412 A 9 ILE HD1% A 41 ILE HD1% 1.0 1.8 5.0 562 413 A 46 LEU HBy A 41 ILE HD1% 1.0 1.8 5.0 563 414 A 41 ILE HD1% A 38 GLU HGy 1.0 1.8 5.0 564 415 A 47 VAL HA A 41 ILE HD1% 1.0 1.8 5.0 565 416 A 38 GLU HA A 41 ILE HD1% 1.0 1.8 5.0 566 417 A 21 TYR HD% A 41 ILE HD1% 1.0 1.8 5.0 567 418 A 21 TYR HE% A 41 ILE HD1% 1.0 1.8 5.0 568 419 A 41 ILE HD1% A 41 ILE H 1.0 1.8 5.0 569 420 A 41 ILE HG2% A 46 LEU HBy 1.0 1.8 5.0 570 421 A 41 ILE HG1x A 36 GLU HBx 1.0 1.8 6.0 571 421 A 41 ILE HG1x A 36 GLU HBy 1.0 1.8 6.0 572 422 A 41 ILE HG1x A 40 HIS HBx 1.0 1.8 6.0 573 423 A 39 GLU HA A 41 ILE HG1x 1.0 1.8 5.0 574 424 A 21 TYR HD% A 41 ILE HG1x 1.0 1.8 6.0 575 425 A 41 ILE HG1x A 38 GLU H 1.0 1.8 6.0 576 426 A 41 ILE HG1x A 42 LEU H 1.0 1.8 6.0 577 427 A 41 ILE HG2% A 42 LEU HBx 1.0 1.8 5.0 578 428 A 42 LEU HDx% A 41 ILE H 1.0 1.8 6.0 579 429 A 42 LEU HDx% A 5 ALA HA 1.0 1.8 5.0 580 430 A 42 LEU HDy% A 41 ILE HG1y 1.0 1.8 6.0 581 431 A 44 PRO HDy A 43 ASP HBx 1.0 1.8 5.0 582 431 A 43 ASP HBx A 44 PRO HDx 1.0 1.8 5.0 583 432 A 45 ARG HGy A 43 ASP HBx 1.0 1.8 5.0 584 432 A 43 ASP HBx A 45 ARG HGx 1.0 1.8 5.0 585 433 A 46 LEU HDx% A 43 ASP HBx 1.0 1.8 5.0 586 434 A 44 PRO HBy A 46 LEU H 1.0 1.8 6.0 587 435 A 46 LEU HDx% A 45 ARG HGx 1.0 1.8 5.0 588 435 A 45 ARG HGy A 46 LEU HDx% 1.0 1.8 5.0 589 436 A 45 ARG HA A 49 ALA H 1.0 1.8 6.0 590 437 A 45 ARG HA A 44 PRO HA 1.0 1.8 5.0 591 438 A 46 LEU HG A 45 ARG H 1.0 1.8 5.0 592 439 A 47 VAL H A 49 ALA HB% 1.0 1.8 5.0 593 440 A 46 LEU HBy A 47 VAL HGx% 1.0 1.8 5.0 594 441 A 46 LEU HG A 47 VAL HGx% 1.0 1.8 6.0 595 442 A 47 VAL HGx% A 41 ILE HG1x 1.0 1.8 6.0 596 443 A 46 LEU HBx A 47 VAL HGx% 1.0 1.8 6.0 597 444 A 50 TYR HA A 49 ALA HB% 1.0 1.8 5.0 598 445 A 53 LYS HA A 52 GLU HBx 1.0 1.8 5.0 599 446 A 48 MET HGx A 52 GLU HGx 1.0 1.8 5.0 600 446 A 48 MET HGx A 52 GLU HGy 1.0 1.8 5.0 601 447 A 52 GLU H A 53 LYS HEx 1.0 1.8 5.0 602 447 A 53 LYS HEy A 52 GLU H 1.0 1.8 5.0 603 448 A 53 LYS HGy A 49 ALA H 1.0 1.8 5.0 604 449 A 52 GLU HGy A 53 LYS HDx 1.0 1.8 5.0 605 449 A 52 GLU HGx A 53 LYS HDx 1.0 1.8 5.0 606 449 A 53 LYS HDy A 52 GLU HGx 1.0 1.8 5.0 607 449 A 53 LYS HDy A 52 GLU HGy 1.0 1.8 5.0 608 450 A 2 GLN HA A 3 VAL HA 1.0 1.8 5.0 609 451 A 8 SER HA A 6 VAL HGy% 1.0 1.8 5.0 610 452 A 25 TRP HD1 A 6 VAL HGy% 1.0 1.8 6.0 611 453 A 6 VAL HGx% A 5 ALA HA 1.0 1.8 5.0 612 454 A 8 SER HA A 9 ILE HB 1.0 1.8 6.0 613 455 A 10 ARG HA A 9 ILE HB 1.0 1.8 6.0 614 456 A 21 TYR HA A 9 ILE HG2% 1.0 1.8 5.0 615 457 A 9 ILE HG1y A 6 VAL HGy% 1.0 1.8 6.0 616 458 A 41 ILE HG2% A 9 ILE HG1y 1.0 1.8 6.0 617 459 A 46 LEU HDy% A 9 ILE HG1y 1.0 1.8 6.0 618 460 A 29 PRO HA A 24 LYS HEx 1.0 1.8 6.0 619 461 A 43 ASP H A 44 PRO HA 1.0 1.8 6.0 620 462 A 47 VAL H A 44 PRO HA 1.0 1.8 5.0 621 463 A 46 LEU HBx A 9 ILE HG1y 1.0 1.8 5.0 622 464 A 46 LEU HG A 45 ARG HBx 1.0 1.8 5.0 623 464 A 45 ARG HBy A 46 LEU HG 1.0 1.8 5.0 624 465 A 47 VAL HGx% A 41 ILE HD1% 1.0 1.8 3.5 625 466 A 46 LEU HDx% A 6 VAL H 1.0 1.8 5.0 626 467 A 6 VAL HGy% A 7 GLU HBx 1.0 1.8 5.0 627 467 A 7 GLU HBy A 6 VAL HGy% 1.0 1.8 5.0 628 468 A 46 LEU HDy% A 9 ILE HG1x 1.0 1.8 5.0 629 469 A 6 VAL HGx% A 7 GLU HGx 1.0 1.8 6.0 630 469 A 7 GLU HGy A 6 VAL HGx% 1.0 1.8 6.0 631 470 A 9 ILE HG1x A 6 VAL HGx% 1.0 1.8 5.0 632 471 A 9 ILE HG1y A 6 VAL HGx% 1.0 1.8 5.0 633 472 A 9 ILE HG2% A 6 VAL HGx% 1.0 1.8 6.0 634 473 A 9 ILE HG2% A 22 LEU HG 1.0 1.8 6.0 635 474 A 46 LEU HBx A 6 VAL HGx% 1.0 1.8 5.0 636 475 A 7 GLU HGx A 26 LYS HGx 1.0 1.8 5.0 637 475 A 7 GLU HGy A 26 LYS HGx 1.0 1.8 5.0 638 475 A 26 LYS HGy A 7 GLU HGx 1.0 1.8 5.0 639 475 A 26 LYS HGy A 7 GLU HGy 1.0 1.8 5.0 640 476 A 8 SER HA A 9 ILE HA 1.0 1.8 5.0 641 477 A 8 SER HA A 9 ILE HG1x 1.0 1.8 5.0 642 478 A 8 SER HA A 49 ALA HB% 1.0 1.8 5.0 643 479 A 9 ILE HA A 23 VAL HA 1.0 1.8 5.0 644 480 A 50 TYR HA A 9 ILE HB 1.0 1.8 5.0 645 481 A 46 LEU HA A 9 ILE HG1x 1.0 1.8 5.0 646 482 A 46 LEU HBx A 9 ILE HG1x 1.0 1.8 5.0 647 483 A 9 ILE HG2% A 6 VAL HGy% 1.0 1.8 6.0 648 484 A 9 ILE HG2% A 41 ILE HG2% 1.0 1.8 6.0 649 485 A 9 ILE HG2% A 22 LEU HBy 1.0 1.8 5.0 650 486 A 9 ILE HG2% A 50 TYR H 1.0 1.8 5.0 651 487 A 9 ILE HG2% A 50 TYR HA 1.0 1.8 5.0 652 488 A 9 ILE HG2% A 50 TYR HE% 1.0 1.8 5.0 653 489 A 9 ILE HD1% A 21 TYR HBy 1.0 1.8 5.0 654 490 A 35 TRP HZ2 A 11 LYS HEx 1.0 1.8 5.0 655 490 A 11 LYS HEy A 35 TRP HZ2 1.0 1.8 5.0 656 491 A 21 TYR HE% A 12 LYS HBy 1.0 1.8 5.0 657 492 A 50 TYR HE% A 12 LYS HEx 1.0 1.8 6.0 658 492 A 12 LYS HEy A 50 TYR HE% 1.0 1.8 6.0 659 493 A 13 ARG HA A 14 VAL HB 1.0 1.8 5.0 660 494 A 14 VAL HGy% A 13 ARG HGx 1.0 1.8 6.0 661 494 A 13 ARG HGy A 14 VAL HGy% 1.0 1.8 6.0 662 495 A 19 VAL HA A 14 VAL HA 1.0 1.8 5.0 663 496 A 19 VAL HA A 14 VAL HGy% 1.0 1.8 5.0 664 497 A 15 ARG H A 15 ARG HGy 1.0 1.8 6.0 665 498 A 16 LYS HA A 15 ARG HA 1.0 1.8 5.0 666 499 A 19 VAL HA A 18 LYS H 1.0 1.8 5.0 667 500 A 20 GLU HA A 18 LYS HGy 1.0 1.8 6.0 668 501 A 18 LYS HGy A 37 PRO HA 1.0 1.8 6.0 669 502 A 18 LYS HGx A 37 PRO HA 1.0 1.8 6.0 670 503 A 18 LYS HDy A 38 GLU HBx 1.0 1.8 5.0 671 503 A 18 LYS HDx A 38 GLU HBx 1.0 1.8 5.0 672 503 A 38 GLU HBy A 18 LYS HDx 1.0 1.8 5.0 673 503 A 38 GLU HBy A 18 LYS HDy 1.0 1.8 5.0 674 504 A 20 GLU HA A 37 PRO HA 1.0 1.8 2.7 675 505 A 35 TRP HBx A 20 GLU HGy 1.0 1.8 6.0 676 506 A 21 TYR HE% A 50 TYR HBx 1.0 1.8 5.0 677 506 A 21 TYR HE% A 50 TYR HBy 1.0 1.8 5.0 678 507 A 35 TRP HZ2 A 22 LEU HDy% 1.0 1.8 5.0 679 508 A 23 VAL HA A 24 LYS HA 1.0 1.8 5.0 680 509 A 23 VAL HGy% A 35 TRP HA 1.0 1.8 5.0 681 510 A 23 VAL HGx% A 24 LYS HA 1.0 1.8 6.0 682 511 A 15 ARG HA A 15 ARG HDy 1.0 1.8 5.0 683 512 A 25 TRP HBy A 24 LYS HA 1.0 1.8 5.0 684 513 A 25 TRP HA A 24 LYS HA 1.0 1.8 5.0 685 514 A 29 PRO HA A 24 LYS HEy 1.0 1.8 6.0 686 515 A 25 TRP HBy A 28 TRP HBx 1.0 1.8 5.0 687 516 A 25 TRP HD1 A 32 TYR HBx 1.0 1.8 6.0 688 517 A 26 LYS H A 26 LYS HEx 1.0 1.8 5.0 689 517 A 26 LYS HEy A 26 LYS H 1.0 1.8 5.0 690 518 A 29 PRO HA A 28 TRP HA 1.0 1.8 5.0 691 519 A 29 PRO HGx A 28 TRP HA 1.0 1.8 6.0 692 520 A 29 PRO HGy A 28 TRP HA 1.0 1.8 5.0 693 521 A 28 TRP HBx A 32 TYR HBx 1.0 1.8 5.0 694 522 A 29 PRO HBy A 31 LYS HDx 1.0 1.8 5.0 695 522 A 31 LYS HDy A 29 PRO HBy 1.0 1.8 5.0 696 523 A 29 PRO HBy A 31 LYS HEx 1.0 1.8 3.5 697 523 A 31 LYS HEy A 29 PRO HBy 1.0 1.8 3.5 698 524 A 29 PRO HGx A 31 LYS HDx 1.0 1.8 6.0 699 524 A 29 PRO HGx A 31 LYS HDy 1.0 1.8 6.0 700 525 A 28 TRP HBy A 29 PRO HDx 1.0 1.8 5.0 701 525 A 29 PRO HDy A 28 TRP HBy 1.0 1.8 5.0 702 526 A 32 TYR HBy A 29 PRO HDx 1.0 1.8 6.0 703 526 A 32 TYR HBy A 29 PRO HDy 1.0 1.8 6.0 704 527 A 25 TRP HBy A 29 PRO HDx 1.0 1.8 6.0 705 527 A 25 TRP HBy A 29 PRO HDy 1.0 1.8 6.0 706 528 A 32 TYR HBx A 29 PRO HDx 1.0 1.8 6.0 707 528 A 29 PRO HDy A 32 TYR HBx 1.0 1.8 6.0 708 529 A 32 TYR HA A 31 LYS HA 1.0 1.8 5.0 709 530 A 32 TYR HD% A 31 LYS HBy 1.0 1.8 6.0 710 531 A 34 THR HB A 35 TRP HA 1.0 1.8 5.0 711 532 A 35 TRP HA A 36 GLU HBx 1.0 1.8 5.0 712 532 A 36 GLU HBy A 35 TRP HA 1.0 1.8 5.0 713 533 A 36 GLU HA A 37 PRO HA 1.0 1.8 5.0 714 534 A 36 GLU HA A 40 HIS HBy 1.0 1.8 5.0 715 535 A 36 GLU HBx A 37 PRO HGx 1.0 1.8 5.0 716 535 A 36 GLU HBy A 37 PRO HGx 1.0 1.8 5.0 717 535 A 37 PRO HGy A 36 GLU HBx 1.0 1.8 5.0 718 535 A 36 GLU HBy A 37 PRO HGy 1.0 1.8 5.0 719 536 A 18 LYS HDx A 37 PRO HGx 1.0 1.8 5.0 720 536 A 18 LYS HDy A 37 PRO HGx 1.0 1.8 5.0 721 536 A 37 PRO HGy A 18 LYS HDx 1.0 1.8 5.0 722 536 A 18 LYS HDy A 37 PRO HGy 1.0 1.8 5.0 723 537 A 37 PRO HDy A 36 GLU HBx 1.0 1.8 5.0 724 537 A 36 GLU HBy A 37 PRO HDy 1.0 1.8 5.0 725 538 A 37 PRO HGy A 39 GLU HBx 1.0 1.8 5.0 726 538 A 37 PRO HGx A 39 GLU HBx 1.0 1.8 5.0 727 538 A 39 GLU HBy A 37 PRO HGx 1.0 1.8 5.0 728 538 A 39 GLU HBy A 37 PRO HGy 1.0 1.8 5.0 729 539 A 37 PRO HDx A 40 HIS HBy 1.0 1.8 5.0 730 540 A 37 PRO HDy A 40 HIS H 1.0 1.8 5.0 731 541 A 38 GLU HA A 47 VAL HB 1.0 1.8 6.0 732 542 A 38 GLU HA A 41 ILE HB 1.0 1.8 5.0 733 543 A 38 GLU HA A 41 ILE HG1x 1.0 1.8 5.0 734 544 A 41 ILE HG1x A 38 GLU HBx 1.0 1.8 5.0 735 544 A 38 GLU HBy A 41 ILE HG1x 1.0 1.8 5.0 736 545 A 41 ILE HG1y A 38 GLU HBx 1.0 1.8 6.0 737 545 A 38 GLU HBy A 41 ILE HG1y 1.0 1.8 6.0 738 546 A 41 ILE HD1% A 38 GLU HBx 1.0 1.8 5.0 739 546 A 38 GLU HBy A 41 ILE HD1% 1.0 1.8 5.0 740 547 A 41 ILE HD1% A 38 GLU HGx 1.0 1.8 5.0 741 548 A 39 GLU HA A 40 HIS HA 1.0 1.8 5.0 742 549 A 46 LEU HDx% A 41 ILE HA 1.0 1.8 5.0 743 550 A 46 LEU HBy A 41 ILE HB 1.0 1.8 6.0 744 551 A 41 ILE HG2% A 43 ASP HA 1.0 1.8 5.0 745 552 A 44 PRO HDy A 43 ASP HBy 1.0 1.8 5.0 746 552 A 43 ASP HBy A 44 PRO HDx 1.0 1.8 5.0 747 553 A 48 MET H A 44 PRO HA 1.0 1.8 5.0 748 554 A 45 ARG HA A 44 PRO HBy 1.0 1.8 5.0 749 555 A 44 PRO HGy A 45 ARG HGx 1.0 1.8 5.0 750 555 A 44 PRO HGx A 45 ARG HGx 1.0 1.8 5.0 751 555 A 45 ARG HGy A 44 PRO HGx 1.0 1.8 5.0 752 555 A 45 ARG HGy A 44 PRO HGy 1.0 1.8 5.0 753 556 A 44 PRO HDy A 45 ARG HBx 1.0 1.8 5.0 754 556 A 44 PRO HDx A 45 ARG HBx 1.0 1.8 5.0 755 556 A 45 ARG HBy A 44 PRO HDx 1.0 1.8 5.0 756 556 A 45 ARG HBy A 44 PRO HDy 1.0 1.8 5.0 757 557 A 44 PRO HDx A 45 ARG HGx 1.0 1.8 5.0 758 557 A 44 PRO HDy A 45 ARG HGx 1.0 1.8 5.0 759 557 A 45 ARG HGy A 44 PRO HDx 1.0 1.8 5.0 760 557 A 45 ARG HGy A 44 PRO HDy 1.0 1.8 5.0 761 558 A 46 LEU HA A 45 ARG HGx 1.0 1.8 6.0 762 558 A 45 ARG HGy A 46 LEU HA 1.0 1.8 6.0 763 559 A 46 LEU HDy% A 45 ARG HBx 1.0 1.8 5.0 764 559 A 45 ARG HBy A 46 LEU HDy% 1.0 1.8 5.0 765 560 A 48 MET HGx A 52 GLU HBx 1.0 1.8 5.0 766 561 A 48 MET HGy A 46 LEU H 1.0 1.8 5.0 767 562 A 49 ALA HB% A 46 LEU H 1.0 1.8 5.0 768 563 A 46 LEU HA A 47 VAL HA 1.0 1.8 6.0 769 564 A 46 LEU HBx A 49 ALA HB% 1.0 1.8 5.0 770 565 A 47 VAL HGy% A 50 TYR H 1.0 1.8 5.0 771 566 A 49 ALA HA A 51 GLU H 1.0 1.8 5.0 772 567 A 49 ALA HB% A 45 ARG HBx 1.0 1.8 5.0 773 567 A 45 ARG HBy A 49 ALA HB% 1.0 1.8 5.0 774 568 A 50 TYR HA A 51 GLU HA 1.0 1.8 5.0 775 569 A 48 MET HA A 50 TYR HBx 1.0 1.8 6.0 776 569 A 48 MET HA A 50 TYR HBy 1.0 1.8 6.0 777 570 A 51 GLU HA A 50 TYR HBx 1.0 1.8 6.0 778 570 A 50 TYR HBy A 51 GLU HA 1.0 1.8 6.0 779 571 A 17 GLY H A 16 LYS HGx 1.0 1.8 5.0 780 571 A 16 LYS HGy A 17 GLY H 1.0 1.8 5.0 781 572 A 8 SER H A 7 GLU HBx 1.0 1.8 3.5 782 572 A 7 GLU HBy A 8 SER H 1.0 1.8 3.5 783 573 A 24 LYS HBx A 8 SER H 1.0 1.8 5.0 784 574 A 2 GLN HA A 3 VAL H 1.0 1.8 3.5 785 575 A 3 VAL HB A 3 VAL H 1.0 1.8 5.0 786 576 A 3 VAL H A 2 GLN HGx 1.0 1.8 5.0 787 576 A 2 GLN HGy A 3 VAL H 1.0 1.8 5.0 788 577 A 34 THR H A 33 SER HBx 1.0 1.8 5.0 789 578 A 33 SER HA A 34 THR H 1.0 1.8 3.5 790 579 A 11 LYS H A 10 ARG HBy 1.0 1.8 5.0 791 580 A 11 LYS H A 10 ARG HBx 1.0 1.8 5.0 792 581 A 11 LYS H A 10 ARG HGx 1.0 1.8 5.0 793 581 A 10 ARG HGy A 11 LYS H 1.0 1.8 5.0 794 582 A 11 LYS H A 11 LYS HGx 1.0 1.8 5.0 795 583 A 33 SER H A 32 TYR HBx 1.0 1.8 5.0 796 584 A 32 TYR HBy A 33 SER H 1.0 1.8 5.0 797 585 A 40 HIS H A 39 GLU HBx 1.0 1.8 5.0 798 585 A 39 GLU HBy A 40 HIS H 1.0 1.8 5.0 799 586 A 40 HIS H A 39 GLU HGy 1.0 1.8 5.0 800 587 A 40 HIS H A 39 GLU HGx 1.0 1.8 5.0 801 588 A 39 GLU H A 38 GLU HBx 1.0 1.8 5.0 802 588 A 38 GLU HBy A 39 GLU H 1.0 1.8 5.0 803 589 A 37 PRO HBx A 39 GLU H 1.0 1.8 5.0 804 590 A 39 GLU H A 39 GLU HGy 1.0 1.8 5.0 805 591 A 39 GLU H A 39 GLU HGx 1.0 1.8 5.0 806 592 A 12 LYS HBy A 21 TYR H 1.0 1.8 6.0 807 593 A 21 TYR H A 36 GLU HBx 1.0 1.8 6.0 808 593 A 36 GLU HBy A 21 TYR H 1.0 1.8 6.0 809 594 A 20 GLU HA A 21 TYR H 1.0 1.8 3.5 810 595 A 42 LEU HBx A 43 ASP H 1.0 1.8 5.0 811 596 A 43 ASP H A 46 LEU HG 1.0 1.8 5.0 812 597 A 42 LEU HBy A 43 ASP H 1.0 1.8 5.0 813 598 A 43 ASP H A 46 LEU HDx% 1.0 1.8 5.0 814 599 A 52 GLU H A 51 GLU HBx 1.0 1.8 5.0 815 599 A 52 GLU H A 51 GLU HBy 1.0 1.8 5.0 816 600 A 45 ARG H A 44 PRO HDx 1.0 1.8 5.0 817 600 A 44 PRO HDy A 45 ARG H 1.0 1.8 5.0 818 601 A 46 LEU H A 45 ARG HBx 1.0 1.8 5.0 819 601 A 45 ARG HBy A 46 LEU H 1.0 1.8 5.0 820 602 A 46 LEU H A 45 ARG HGx 1.0 1.8 3.5 821 602 A 45 ARG HGy A 46 LEU H 1.0 1.8 3.5 822 603 A 46 LEU HBy A 46 LEU H 1.0 1.8 5.0 823 604 A 47 VAL H A 46 LEU HBy 1.0 1.8 5.0 824 605 A 47 VAL H A 47 VAL HGx% 1.0 1.8 3.5 825 606 A 47 VAL HGy% A 47 VAL H 1.0 1.8 5.0 826 607 A 48 MET HA A 50 TYR H 1.0 1.8 5.0 827 608 A 49 ALA HB% A 50 TYR H 1.0 1.8 5.0 828 609 A 48 MET H A 48 MET HBx 1.0 1.8 3.5 829 610 A 48 MET H A 47 VAL HGx% 1.0 1.8 5.0 830 611 A 47 VAL HGy% A 48 MET H 1.0 1.8 5.0 831 612 A 14 VAL H A 13 ARG HBx 1.0 1.8 5.0 832 613 A 14 VAL H A 13 ARG HBy 1.0 1.8 5.0 833 614 A 13 ARG HA A 14 VAL H 1.0 1.8 3.5 834 615 A 14 VAL H A 13 ARG HGx 1.0 1.8 5.0 835 615 A 13 ARG HGy A 14 VAL H 1.0 1.8 5.0 836 616 A 49 ALA H A 48 MET HBy 1.0 1.8 5.0 837 617 A 49 ALA H A 48 MET HBx 1.0 1.8 5.0 838 618 A 49 ALA H A 48 MET HGx 1.0 1.8 5.0 839 619 A 41 ILE H A 40 HIS HBx 1.0 1.8 5.0 840 620 A 55 GLU H A 55 GLU HBx 1.0 1.8 5.0 841 620 A 55 GLU H A 55 GLU HBy 1.0 1.8 5.0 842 621 A 55 GLU H A 54 GLU HGx 1.0 1.8 5.0 843 621 A 54 GLU HGy A 55 GLU H 1.0 1.8 5.0 844 622 A 53 LYS HA A 54 GLU H 1.0 1.8 3.5 845 623 A 54 GLU H A 53 LYS HBx 1.0 1.8 5.0 846 624 A 54 GLU H A 53 LYS HBy 1.0 1.8 5.0 847 625 A 54 GLU H A 54 GLU HBx 1.0 1.8 5.0 848 625 A 54 GLU H A 54 GLU HBy 1.0 1.8 5.0 849 626 A 12 LYS H A 11 LYS HA 1.0 1.8 3.5 850 627 A 12 LYS H A 12 LYS HBx 1.0 1.8 3.5 851 628 A 11 LYS HBy A 12 LYS H 1.0 1.8 3.5 852 629 A 34 THR HB A 35 TRP H 1.0 1.8 5.0 853 630 A 34 THR HG2% A 35 TRP H 1.0 1.8 5.0 854 631 A 9 ILE HA A 10 ARG H 1.0 1.8 3.5 855 632 A 9 ILE HB A 10 ARG H 1.0 1.8 5.0 856 633 A 9 ILE HD1% A 10 ARG H 1.0 1.8 6.0 857 634 A 9 ILE HG2% A 10 ARG H 1.0 1.8 5.0 858 635 A 12 LYS HA A 13 ARG H 1.0 1.8 3.5 859 636 A 12 LYS HBy A 13 ARG H 1.0 1.8 5.0 860 637 A 13 ARG H A 12 LYS HDx 1.0 1.8 5.0 861 637 A 12 LYS HDy A 13 ARG H 1.0 1.8 5.0 862 638 A 18 LYS HA A 19 VAL H 1.0 1.8 3.5 863 639 A 18 LYS HBy A 19 VAL H 1.0 1.8 5.0 864 640 A 19 VAL H A 18 LYS HDx 1.0 1.8 3.5 865 640 A 19 VAL H A 18 LYS HDy 1.0 1.8 3.5 866 641 A 19 VAL H A 18 LYS HGy 1.0 1.8 5.0 867 642 A 23 VAL HA A 24 LYS H 1.0 1.8 3.5 868 643 A 23 VAL HB A 24 LYS H 1.0 1.8 5.0 869 644 A 23 VAL HGx% A 24 LYS H 1.0 1.8 5.0 870 645 A 23 VAL HGy% A 24 LYS H 1.0 1.8 5.0 871 646 A 35 TRP HA A 36 GLU H 1.0 1.8 3.5 872 647 A 35 TRP HBx A 36 GLU H 1.0 1.8 5.0 873 648 A 41 ILE HB A 42 LEU H 1.0 1.8 5.0 874 649 A 2 GLN H A 1 GLU HBx 1.0 1.8 5.0 875 649 A 1 GLU HBy A 2 GLN H 1.0 1.8 5.0 876 650 A 19 VAL HA A 20 GLU H 1.0 1.8 3.5 877 651 A 19 VAL HB A 20 GLU H 1.0 1.8 5.0 878 652 A 20 GLU H A 19 VAL HGx% 1.0 1.8 5.0 879 653 A 20 GLU H A 19 VAL HGy% 1.0 1.8 5.0 880 654 A 22 LEU HA A 23 VAL H 1.0 1.8 3.5 881 655 A 9 ILE HG2% A 23 VAL H 1.0 1.8 5.0 882 656 A 21 TYR HA A 22 LEU H 1.0 1.8 3.5 883 657 A 22 LEU H A 21 TYR HBx 1.0 1.8 5.0 884 658 A 22 LEU H A 21 TYR HBy 1.0 1.8 5.0 885 659 A 15 ARG H A 14 VAL HA 1.0 1.8 3.5 886 660 A 18 LYS HBx A 15 ARG H 1.0 1.8 5.0 887 661 A 15 ARG H A 14 VAL HGx% 1.0 1.8 5.0 888 662 A 15 ARG H A 14 VAL HGy% 1.0 1.8 5.0 889 663 A 25 TRP H A 24 LYS HA 1.0 1.8 3.5 890 664 A 25 TRP H A 24 LYS HBy 1.0 1.8 6.0 891 665 A 25 TRP H A 24 LYS HGx 1.0 1.8 6.0 892 665 A 25 TRP H A 24 LYS HGy 1.0 1.8 6.0 893 666 A 38 GLU H A 37 PRO HA 1.0 1.8 3.5 894 667 A 55 GLU H A 55 GLU HGx 1.0 1.8 5.0 895 667 A 55 GLU H A 55 GLU HGy 1.0 1.8 5.0 896 668 A 37 PRO HBy A 38 GLU H 1.0 1.8 3.5 897 669 A 25 TRP HA A 26 LYS H 1.0 1.8 3.5 898 670 A 25 TRP HBy A 26 LYS H 1.0 1.8 5.0 899 671 A 8 SER H A 8 SER HBx 1.0 1.8 5.0 900 672 A 6 VAL HA A 8 SER H 1.0 1.8 6.0 901 673 A 24 LYS HBy A 8 SER H 1.0 1.8 5.0 902 674 A 8 SER H A 26 LYS HGx 1.0 1.8 6.0 903 674 A 26 LYS HGy A 8 SER H 1.0 1.8 6.0 904 675 A 6 VAL HGx% A 8 SER H 1.0 1.8 3.5 905 676 A 4 PHE H A 3 VAL H 1.0 1.8 5.0 906 677 A 4 PHE HD% A 3 VAL H 1.0 1.8 5.0 907 678 A 3 VAL H A 4 PHE HE% 1.0 1.8 6.0 908 679 A 34 THR H A 23 VAL H 1.0 1.8 5.0 909 680 A 34 THR H A 25 TRP HE1 1.0 1.8 5.0 910 681 A 34 THR H A 34 THR HG2% 1.0 1.8 5.0 911 682 A 34 THR H A 23 VAL HGy% 1.0 1.8 5.0 912 683 A 12 LYS H A 11 LYS H 1.0 1.8 5.0 913 684 A 22 LEU H A 11 LYS H 1.0 1.8 5.0 914 685 A 10 ARG H A 11 LYS H 1.0 1.8 3.5 915 686 A 22 LEU HBx A 11 LYS H 1.0 1.8 5.0 916 687 A 9 ILE HA A 11 LYS H 1.0 1.8 5.0 917 688 A 23 VAL HA A 11 LYS H 1.0 1.8 6.0 918 689 A 11 LYS HBx A 11 LYS H 1.0 1.8 5.0 919 690 A 11 LYS H A 11 LYS HGy 1.0 1.8 5.0 920 691 A 22 LEU HBy A 11 LYS H 1.0 1.8 3.5 921 692 A 9 ILE HG2% A 11 LYS H 1.0 1.8 5.0 922 693 A 11 LYS H A 22 LEU HDx% 1.0 1.8 5.0 923 694 A 33 SER H A 32 TYR H 1.0 1.8 5.0 924 695 A 33 SER H A 30 PRO HA 1.0 1.8 5.0 925 696 A 33 SER H A 31 LYS HA 1.0 1.8 5.0 926 697 A 33 SER H A 33 SER HBy 1.0 1.8 5.0 927 698 A 33 SER H A 33 SER HBx 1.0 1.8 5.0 928 699 A 9 ILE H A 9 ILE HB 1.0 1.8 3.5 929 700 A 9 ILE H A 49 ALA HB% 1.0 1.8 5.0 930 701 A 9 ILE H A 9 ILE HG1x 1.0 1.8 5.0 931 702 A 9 ILE HG2% A 9 ILE H 1.0 1.8 5.0 932 703 A 9 ILE H A 9 ILE HD1% 1.0 1.8 5.0 933 704 A 9 ILE H A 9 ILE HG1y 1.0 1.8 5.0 934 705 A 41 ILE H A 40 HIS H 1.0 1.8 3.5 935 706 A 40 HIS H A 39 GLU H 1.0 1.8 5.0 936 707 A 40 HIS HBy A 40 HIS H 1.0 1.8 5.0 937 708 A 40 HIS HBx A 40 HIS H 1.0 1.8 5.0 938 709 A 41 ILE HG1x A 40 HIS H 1.0 1.8 5.0 939 710 A 37 PRO HBy A 40 HIS H 1.0 1.8 5.0 940 711 A 41 ILE HG1x A 39 GLU H 1.0 1.8 5.0 941 712 A 39 GLU H A 37 PRO HGx 1.0 1.8 5.0 942 712 A 37 PRO HGy A 39 GLU H 1.0 1.8 5.0 943 713 A 39 GLU H A 39 GLU HBx 1.0 1.8 3.5 944 713 A 39 GLU HBy A 39 GLU H 1.0 1.8 3.5 945 714 A 37 PRO HBy A 39 GLU H 1.0 1.8 3.5 946 715 A 39 GLU H A 18 LYS HEx 1.0 1.8 6.0 947 715 A 18 LYS HEy A 39 GLU H 1.0 1.8 6.0 948 716 A 40 HIS HBy A 39 GLU H 1.0 1.8 5.0 949 717 A 38 GLU H A 39 GLU H 1.0 1.8 5.0 950 718 A 36 GLU H A 21 TYR H 1.0 1.8 5.0 951 719 A 35 TRP HBx A 21 TYR H 1.0 1.8 5.0 952 720 A 43 ASP H A 42 LEU H 1.0 1.8 5.0 953 721 A 43 ASP H A 43 ASP HBx 1.0 1.8 5.0 954 722 A 41 ILE HG2% A 43 ASP H 1.0 1.8 5.0 955 723 A 32 TYR HD% A 32 TYR H 1.0 1.8 5.0 956 724 A 32 TYR HE% A 32 TYR H 1.0 1.8 6.0 957 725 A 32 TYR H A 32 TYR HBx 1.0 1.8 5.0 958 726 A 32 TYR HBy A 32 TYR H 1.0 1.8 5.0 959 727 A 47 VAL H A 46 LEU H 1.0 1.8 3.5 960 728 A 45 ARG H A 46 LEU H 1.0 1.8 3.5 961 729 A 44 PRO HA A 46 LEU H 1.0 1.8 5.0 962 730 A 46 LEU H A 44 PRO HGx 1.0 1.8 5.0 963 730 A 44 PRO HGy A 46 LEU H 1.0 1.8 5.0 964 731 A 46 LEU HG A 46 LEU H 1.0 1.8 3.5 965 732 A 46 LEU HBx A 46 LEU H 1.0 1.8 5.0 966 733 A 46 LEU HDx% A 46 LEU H 1.0 1.8 5.0 967 734 A 46 LEU HDy% A 46 LEU H 1.0 1.8 5.0 968 735 A 47 VAL HGx% A 46 LEU H 1.0 1.8 5.0 969 736 A 47 VAL H A 47 VAL HB 1.0 1.8 3.5 970 737 A 49 ALA H A 50 TYR H 1.0 1.8 5.0 971 738 A 51 GLU H A 50 TYR H 1.0 1.8 5.0 972 739 A 50 TYR HD% A 50 TYR H 1.0 1.8 5.0 973 740 A 21 TYR HE% A 50 TYR H 1.0 1.8 6.0 974 741 A 50 TYR H A 50 TYR HBx 1.0 1.8 3.5 975 741 A 50 TYR HBy A 50 TYR H 1.0 1.8 3.5 976 742 A 34 THR HG2% A 25 TRP HE1 1.0 1.8 5.0 977 743 A 21 TYR HD% A 21 TYR H 1.0 1.8 5.0 978 744 A 45 ARG H A 44 PRO HGx 1.0 1.8 5.0 979 744 A 44 PRO HGy A 45 ARG H 1.0 1.8 5.0 980 745 A 45 ARG H A 45 ARG HBx 1.0 1.8 5.0 981 745 A 45 ARG HBy A 45 ARG H 1.0 1.8 5.0 982 746 A 48 MET HBy A 50 TYR H 1.0 1.8 6.0 983 747 A 50 TYR H A 51 GLU HBx 1.0 1.8 6.0 984 747 A 50 TYR H A 51 GLU HBy 1.0 1.8 6.0 985 748 A 47 VAL H A 48 MET H 1.0 1.8 3.5 986 749 A 45 ARG HA A 48 MET H 1.0 1.8 5.0 987 750 A 48 MET H A 48 MET HGx 1.0 1.8 5.0 988 751 A 14 VAL H A 14 VAL HGx% 1.0 1.8 5.0 989 752 A 14 VAL H A 14 VAL HGy% 1.0 1.8 5.0 990 753 A 14 VAL HB A 14 VAL H 1.0 1.8 3.5 991 754 A 15 ARG H A 14 VAL H 1.0 1.8 5.0 992 755 A 14 VAL H A 20 GLU H 1.0 1.8 6.0 993 756 A 39 GLU HA A 41 ILE H 1.0 1.8 5.0 994 757 A 3 VAL H A 2 GLN H 1.0 1.8 5.0 995 758 A 2 GLN H A 1 GLU H 1.0 1.8 5.0 996 759 A 28 TRP H A 28 TRP HBy 1.0 1.8 3.5 997 760 A 28 TRP HBx A 28 TRP H 1.0 1.8 5.0 998 761 A 26 LYS HA A 28 TRP H 1.0 1.8 5.0 999 762 A 28 TRP HD1 A 28 TRP H 1.0 1.8 5.0 1000 763 A 27 GLY H A 28 TRP H 1.0 1.8 5.0 1001 764 A 49 ALA H A 49 ALA HB% 1.0 1.8 3.5 1002 765 A 49 ALA H A 53 LYS HEx 1.0 1.8 6.0 1003 765 A 49 ALA H A 53 LYS HEy 1.0 1.8 6.0 1004 766 A 46 LEU HA A 49 ALA H 1.0 1.8 5.0 1005 767 A 51 GLU H A 52 GLU HBx 1.0 1.8 5.0 1006 768 A 42 LEU H A 41 ILE H 1.0 1.8 5.0 1007 769 A 41 ILE HB A 41 ILE H 1.0 1.8 3.5 1008 770 A 41 ILE HG1y A 41 ILE H 1.0 1.8 5.0 1009 771 A 41 ILE HG1x A 41 ILE H 1.0 1.8 5.0 1010 772 A 41 ILE HG2% A 41 ILE H 1.0 1.8 5.0 1011 773 A 18 LYS HBy A 18 LYS H 1.0 1.8 3.5 1012 774 A 18 LYS HBx A 18 LYS H 1.0 1.8 3.5 1013 775 A 18 LYS H A 16 LYS HGx 1.0 1.8 3.5 1014 775 A 16 LYS HGy A 18 LYS H 1.0 1.8 3.5 1015 776 A 15 ARG H A 18 LYS H 1.0 1.8 3.5 1016 777 A 18 LYS H A 17 GLY H 1.0 1.8 5.0 1017 778 A 54 GLU H A 54 GLU HGx 1.0 1.8 5.0 1018 778 A 54 GLU HGy A 54 GLU H 1.0 1.8 5.0 1019 779 A 35 TRP H A 35 TRP HBy 1.0 1.8 3.5 1020 780 A 35 TRP H A 35 TRP HBx 1.0 1.8 5.0 1021 781 A 35 TRP H A 35 TRP HD1 1.0 1.8 5.0 1022 782 A 10 ARG H A 10 ARG HBx 1.0 1.8 5.0 1023 783 A 10 ARG H A 22 LEU HBy 1.0 1.8 5.0 1024 784 A 13 ARG H A 20 GLU H 1.0 1.8 5.0 1025 785 A 12 LYS H A 13 ARG H 1.0 1.8 5.0 1026 786 A 13 ARG H A 19 VAL HA 1.0 1.8 5.0 1027 787 A 19 VAL H A 19 VAL HGx% 1.0 1.8 5.0 1028 788 A 19 VAL H A 19 VAL HGy% 1.0 1.8 5.0 1029 789 A 23 VAL H A 24 LYS H 1.0 1.8 5.0 1030 790 A 10 ARG H A 24 LYS H 1.0 1.8 6.0 1031 791 A 8 SER H A 24 LYS H 1.0 1.8 5.0 1032 792 A 9 ILE HA A 24 LYS H 1.0 1.8 5.0 1033 793 A 24 LYS HBx A 24 LYS H 1.0 1.8 5.0 1034 794 A 24 LYS HBy A 24 LYS H 1.0 1.8 3.5 1035 795 A 6 VAL HGx% A 24 LYS H 1.0 1.8 5.0 1036 796 A 6 VAL H A 6 VAL HB 1.0 1.8 5.0 1037 797 A 46 LEU HDy% A 6 VAL H 1.0 1.8 5.0 1038 798 A 36 GLU H A 36 GLU HGx 1.0 1.8 5.0 1039 799 A 36 GLU H A 36 GLU HBx 1.0 1.8 5.0 1040 799 A 36 GLU HBy A 36 GLU H 1.0 1.8 5.0 1041 800 A 42 LEU HDy% A 42 LEU H 1.0 1.8 5.0 1042 801 A 46 LEU HDx% A 42 LEU H 1.0 1.8 6.0 1043 802 A 46 LEU HBy A 42 LEU H 1.0 1.8 5.0 1044 803 A 20 GLU H A 20 GLU HGx 1.0 1.8 5.0 1045 804 A 23 VAL HB A 23 VAL H 1.0 1.8 5.0 1046 805 A 23 VAL HGx% A 23 VAL H 1.0 1.8 5.0 1047 806 A 21 TYR HD% A 22 LEU H 1.0 1.8 5.0 1048 807 A 22 LEU HBy A 22 LEU H 1.0 1.8 5.0 1049 808 A 22 LEU HG A 22 LEU H 1.0 1.8 5.0 1050 809 A 9 ILE HG2% A 22 LEU H 1.0 1.8 5.0 1051 810 A 19 VAL HA A 15 ARG H 1.0 1.8 5.0 1052 811 A 15 ARG H A 15 ARG HBy 1.0 1.8 5.0 1053 812 A 15 ARG H A 15 ARG HBx 1.0 1.8 5.0 1054 813 A 15 ARG H A 16 LYS HGx 1.0 1.8 5.0 1055 813 A 16 LYS HGy A 15 ARG H 1.0 1.8 5.0 1056 814 A 25 TRP HBx A 25 TRP H 1.0 1.8 5.0 1057 815 A 25 TRP HD1 A 25 TRP H 1.0 1.8 5.0 1058 816 A 26 LYS H A 26 LYS HGx 1.0 1.8 5.0 1059 816 A 26 LYS HGy A 26 LYS H 1.0 1.8 5.0 1060 817 A 26 LYS HBx A 26 LYS H 1.0 1.8 5.0 1061 818 A 26 LYS H A 26 LYS HDx 1.0 1.8 5.0 1062 818 A 26 LYS HDy A 26 LYS H 1.0 1.8 5.0 1063 819 A 26 LYS HBy A 26 LYS H 1.0 1.8 5.0 1064 820 A 35 TRP HE1 A 22 LEU HDx% 1.0 1.8 5.0 1065 821 A 23 VAL HGy% A 25 TRP HE1 1.0 1.8 6.0 1066 822 A 25 TRP H A 26 LYS H 1.0 1.8 5.0 1067 823 A 10 ARG H A 22 LEU H 1.0 1.8 5.0 1068 824 A 9 ILE H A 10 ARG H 1.0 1.8 5.0 1069 825 A 11 LYS H A 22 LEU HDy% 1.0 1.8 5.0 1070 826 A 12 LYS H A 50 TYR HE% 1.0 1.8 5.0 1071 827 A 13 ARG H A 14 VAL H 1.0 1.8 5.0 1072 828 A 19 VAL H A 18 LYS H 1.0 1.8 5.0 1073 829 A 19 VAL H A 20 GLU H 1.0 1.8 5.0 1074 830 A 22 LEU H A 21 TYR H 1.0 1.8 5.0 1075 831 A 23 VAL H A 35 TRP HA 1.0 1.8 5.0 1076 832 A 25 TRP HD1 A 34 THR H 1.0 1.8 5.0 1077 833 A 34 THR H A 22 LEU HA 1.0 1.8 6.0 1078 834 A 35 TRP H A 36 GLU H 1.0 1.8 5.0 1079 835 A 22 LEU HA A 36 GLU H 1.0 1.8 5.0 1080 836 A 23 VAL HGy% A 36 GLU H 1.0 1.8 5.0 1081 837 A 38 GLU H A 38 GLU HBx 1.0 1.8 3.5 1082 837 A 38 GLU HBy A 38 GLU H 1.0 1.8 3.5 1083 838 A 20 GLU HA A 38 GLU H 1.0 1.8 5.0 1084 839 A 41 ILE H A 39 GLU H 1.0 1.8 5.0 1085 840 A 37 PRO HDx A 40 HIS H 1.0 1.8 6.0 1086 841 A 38 GLU H A 40 HIS H 1.0 1.8 5.0 1087 842 A 41 ILE H A 37 PRO HGx 1.0 1.8 6.0 1088 842 A 37 PRO HGy A 41 ILE H 1.0 1.8 6.0 1089 843 A 41 ILE H A 36 GLU HBx 1.0 1.8 5.0 1090 843 A 36 GLU HBy A 41 ILE H 1.0 1.8 5.0 1091 844 A 42 LEU H A 43 ASP HA 1.0 1.8 6.0 1092 845 A 47 VAL H A 45 ARG H 1.0 1.8 5.0 1093 846 A 49 ALA H A 47 VAL HGx% 1.0 1.8 5.0 1094 847 A 47 VAL HGx% A 50 TYR H 1.0 1.8 6.0 1095 848 A 50 TYR HD% A 51 GLU H 1.0 1.8 5.0 1096 849 A 46 LEU HDy% A 45 ARG H 1.0 1.8 6.0 1097 850 A 46 LEU HDx% A 45 ARG H 1.0 1.8 6.0 1098 851 A 22 LEU HBx A 35 TRP HE1 1.0 1.8 5.0 1099 852 A 35 TRP HE1 A 35 TRP HBy 1.0 1.8 5.0 1100 853 A 23 VAL H A 36 GLU H 1.0 1.8 5.0 1101 854 A 34 THR H A 22 LEU HG 1.0 1.8 6.0 1102 855 A 3 VAL H A 3 VAL HGy% 1.0 1.8 5.0 1103 856 A 3 VAL H A 4 PHE HA 1.0 1.8 5.0 1104 857 A 6 VAL HGy% A 8 SER H 1.0 1.8 5.0 1105 858 A 23 VAL HGx% A 8 SER H 1.0 1.8 5.0 1106 859 A 24 LYS HA A 8 SER H 1.0 1.8 6.0 1107 860 A 3 VAL H A 1 GLU H 1.0 1.8 5.0 1108 861 A 9 ILE H A 46 LEU HDy% 1.0 1.8 5.0 1109 862 A 8 SER H A 7 GLU HGx 1.0 1.8 5.0 1110 862 A 7 GLU HGy A 8 SER H 1.0 1.8 5.0 1111 863 A 9 ILE HG2% A 12 LYS H 1.0 1.8 5.0 1112 864 A 47 VAL H A 9 ILE HD1% 1.0 1.8 5.0 1113 865 A 9 ILE HD1% A 50 TYR H 1.0 1.8 5.0 1114 866 A 10 ARG HDx A 10 ARG H 1.0 1.8 6.0 1115 867 A 11 LYS HA A 10 ARG H 1.0 1.8 5.0 1116 868 A 10 ARG H A 23 VAL HA 1.0 1.8 5.0 1117 869 A 12 LYS HA A 11 LYS H 1.0 1.8 6.0 1118 870 A 50 TYR HD% A 11 LYS H 1.0 1.8 5.0 1119 871 A 12 LYS H A 22 LEU H 1.0 1.8 5.0 1120 872 A 12 LYS HBy A 22 LEU H 1.0 1.8 6.0 1121 873 A 19 VAL H A 14 VAL HGy% 1.0 1.8 5.0 1122 874 A 15 ARG H A 17 GLY H 1.0 1.8 5.0 1123 875 A 15 ARG HA A 17 GLY H 1.0 1.8 5.0 1124 876 A 15 ARG HA A 18 LYS H 1.0 1.8 5.0 1125 877 A 38 GLU H A 18 LYS HDx 1.0 1.8 5.0 1126 877 A 18 LYS HDy A 38 GLU H 1.0 1.8 5.0 1127 878 A 20 GLU H A 20 GLU HGy 1.0 1.8 5.0 1128 879 A 22 LEU HBx A 22 LEU H 1.0 1.8 5.0 1129 880 A 23 VAL H A 22 LEU H 1.0 1.8 6.0 1130 881 A 23 VAL H A 22 LEU HG 1.0 1.8 5.0 1131 882 A 25 TRP H A 24 LYS HEy 1.0 1.8 5.0 1132 883 A 27 GLY H A 26 LYS H 1.0 1.8 5.0 1133 884 A 29 PRO HGx A 32 TYR H 1.0 1.8 5.0 1134 885 A 33 SER HA A 32 TYR H 1.0 1.8 5.0 1135 886 A 36 GLU H A 36 GLU HGy 1.0 1.8 5.0 1136 887 A 37 PRO HA A 39 GLU H 1.0 1.8 5.0 1137 888 A 18 LYS HGy A 38 GLU H 1.0 1.8 6.0 1138 889 A 41 ILE HG1y A 38 GLU H 1.0 1.8 6.0 1139 890 A 42 LEU HDy% A 41 ILE H 1.0 1.8 5.0 1140 891 A 43 ASP H A 44 PRO HDx 1.0 1.8 5.0 1141 891 A 43 ASP H A 44 PRO HDy 1.0 1.8 5.0 1142 892 A 43 ASP H A 46 LEU H 1.0 1.8 5.0 1143 893 A 43 ASP HA A 45 ARG H 1.0 1.8 5.0 1144 894 A 48 MET H A 46 LEU H 1.0 1.8 5.0 1145 895 A 49 ALA H A 46 LEU H 1.0 1.8 5.0 1146 896 A 47 VAL HA A 50 TYR H 1.0 1.8 5.0 1147 897 A 51 GLU H A 52 GLU H 1.0 1.8 5.0 1148 898 A 54 GLU H A 55 GLU H 1.0 1.8 5.0 1149 899 A 20 GLU H A 13 ARG HGx 1.0 1.8 6.0 1150 899 A 13 ARG HGy A 20 GLU H 1.0 1.8 6.0 1151 900 A 9 ILE H A 6 VAL HGx% 1.0 1.8 6.0 1152 901 A 1 GLU H A 2 GLN HBy 1.0 1.8 6.0 1153 901 A 1 GLU H A 2 GLN HBx 1.0 1.8 6.0 1154 902 A 2 GLN H A 1 GLU HGy 1.0 1.8 5.0 1155 902 A 2 GLN H A 1 GLU HGx 1.0 1.8 5.0 1156 903 A 1 GLU HGy A 2 GLN HBy 1.0 1.8 5.0 1157 903 A 1 GLU HGx A 2 GLN HBy 1.0 1.8 5.0 1158 903 A 2 GLN HBx A 1 GLU HGy 1.0 1.8 5.0 1159 903 A 2 GLN HBx A 1 GLU HGx 1.0 1.8 5.0 1160 904 A 2 GLN H A 2 GLN HE2y 1.0 1.8 5.0 1161 904 A 2 GLN H A 2 GLN HE2x 1.0 1.8 5.0 1162 905 A 2 GLN HA A 3 VAL HGx% 1.0 1.8 5.0 1163 905 A 2 GLN HA A 3 VAL HGy% 1.0 1.8 5.0 1164 906 A 2 GLN HBx A 2 GLN HE2y 1.0 1.8 5.0 1165 906 A 2 GLN HBy A 2 GLN HE2y 1.0 1.8 5.0 1166 906 A 2 GLN HE2x A 2 GLN HBy 1.0 1.8 5.0 1167 906 A 2 GLN HBx A 2 GLN HE2x 1.0 1.8 5.0 1168 907 A 3 VAL H A 2 GLN HBy 1.0 1.8 5.0 1169 907 A 3 VAL H A 2 GLN HBx 1.0 1.8 5.0 1170 908 A 3 VAL HA A 2 GLN HBy 1.0 1.8 6.0 1171 908 A 3 VAL HA A 2 GLN HBx 1.0 1.8 6.0 1172 909 A 2 GLN HBy A 3 VAL HGx% 1.0 1.8 5.0 1173 909 A 3 VAL HGy% A 2 GLN HBy 1.0 1.8 5.0 1174 909 A 2 GLN HBx A 3 VAL HGy% 1.0 1.8 5.0 1175 909 A 2 GLN HBx A 3 VAL HGx% 1.0 1.8 5.0 1176 910 A 2 GLN HGx A 3 VAL HGx% 1.0 1.8 5.0 1177 910 A 2 GLN HGy A 3 VAL HGx% 1.0 1.8 5.0 1178 910 A 3 VAL HGy% A 2 GLN HGx 1.0 1.8 5.0 1179 910 A 2 GLN HGy A 3 VAL HGy% 1.0 1.8 5.0 1180 911 A 3 VAL H A 3 VAL HGx% 1.0 1.8 3.5 1181 911 A 3 VAL H A 3 VAL HGy% 1.0 1.8 3.5 1182 912 A 4 PHE H A 3 VAL HGx% 1.0 1.8 5.0 1183 912 A 4 PHE H A 3 VAL HGy% 1.0 1.8 5.0 1184 913 A 4 PHE HD% A 3 VAL HGx% 1.0 1.8 5.0 1185 913 A 4 PHE HD% A 3 VAL HGy% 1.0 1.8 5.0 1186 914 A 5 ALA H A 3 VAL HGx% 1.0 1.8 5.0 1187 914 A 5 ALA H A 3 VAL HGy% 1.0 1.8 5.0 1188 915 A 5 ALA HB% A 3 VAL HGx% 1.0 1.8 5.0 1189 915 A 5 ALA HB% A 3 VAL HGy% 1.0 1.8 5.0 1190 916 A 6 VAL HGy% A 36 GLU HGy 1.0 1.8 6.0 1191 916 A 6 VAL HGy% A 36 GLU HGx 1.0 1.8 6.0 1192 917 A 7 GLU HBy A 8 SER HBy 1.0 1.8 5.0 1193 917 A 7 GLU HBx A 8 SER HBy 1.0 1.8 5.0 1194 917 A 8 SER HBx A 7 GLU HBx 1.0 1.8 5.0 1195 917 A 7 GLU HBy A 8 SER HBx 1.0 1.8 5.0 1196 918 A 9 ILE H A 8 SER HBy 1.0 1.8 3.5 1197 918 A 9 ILE H A 8 SER HBx 1.0 1.8 3.5 1198 919 A 9 ILE HG2% A 10 ARG HBy 1.0 1.8 6.0 1199 919 A 9 ILE HG2% A 10 ARG HBx 1.0 1.8 6.0 1200 920 A 9 ILE HG2% A 21 TYR HBy 1.0 1.8 5.0 1201 920 A 9 ILE HG2% A 21 TYR HBx 1.0 1.8 5.0 1202 921 A 9 ILE HG2% A 22 LEU HDy% 1.0 1.8 5.0 1203 921 A 9 ILE HG2% A 22 LEU HDx% 1.0 1.8 5.0 1204 922 A 9 ILE HD1% A 21 TYR HBy 1.0 1.8 5.0 1205 922 A 9 ILE HD1% A 21 TYR HBx 1.0 1.8 5.0 1206 923 A 10 ARG H A 10 ARG HBy 1.0 1.8 5.0 1207 923 A 10 ARG H A 10 ARG HBx 1.0 1.8 5.0 1208 924 A 10 ARG H A 11 LYS HGx 1.0 1.8 6.0 1209 924 A 10 ARG H A 11 LYS HGy 1.0 1.8 6.0 1210 925 A 10 ARG HDy A 10 ARG HBy 1.0 1.8 5.0 1211 925 A 10 ARG HDy A 10 ARG HBx 1.0 1.8 5.0 1212 926 A 10 ARG HDx A 10 ARG HBy 1.0 1.8 5.0 1213 926 A 10 ARG HDx A 10 ARG HBx 1.0 1.8 5.0 1214 927 A 11 LYS H A 10 ARG HBy 1.0 1.8 5.0 1215 927 A 11 LYS H A 10 ARG HBx 1.0 1.8 5.0 1216 928 A 11 LYS HBx A 10 ARG HBy 1.0 1.8 6.0 1217 928 A 11 LYS HBx A 10 ARG HBx 1.0 1.8 6.0 1218 929 A 10 ARG HBx A 11 LYS HGx 1.0 1.8 6.0 1219 929 A 10 ARG HBy A 11 LYS HGx 1.0 1.8 6.0 1220 929 A 11 LYS HGy A 10 ARG HBy 1.0 1.8 6.0 1221 929 A 10 ARG HBx A 11 LYS HGy 1.0 1.8 6.0 1222 930 A 22 LEU HBy A 10 ARG HBy 1.0 1.8 5.0 1223 930 A 22 LEU HBy A 10 ARG HBx 1.0 1.8 5.0 1224 931 A 22 LEU HG A 10 ARG HBy 1.0 1.8 6.0 1225 931 A 22 LEU HG A 10 ARG HBx 1.0 1.8 6.0 1226 932 A 10 ARG HBx A 22 LEU HDy% 1.0 1.8 5.0 1227 932 A 10 ARG HBy A 22 LEU HDy% 1.0 1.8 5.0 1228 932 A 22 LEU HDx% A 10 ARG HBy 1.0 1.8 5.0 1229 932 A 10 ARG HBx A 22 LEU HDx% 1.0 1.8 5.0 1230 933 A 10 ARG HGy A 22 LEU HDy% 1.0 1.8 5.0 1231 933 A 10 ARG HGx A 22 LEU HDy% 1.0 1.8 5.0 1232 933 A 22 LEU HDx% A 10 ARG HGx 1.0 1.8 5.0 1233 933 A 10 ARG HGy A 22 LEU HDx% 1.0 1.8 5.0 1234 934 A 10 ARG HDy A 22 LEU HDy% 1.0 1.8 5.0 1235 934 A 10 ARG HDy A 22 LEU HDx% 1.0 1.8 5.0 1236 935 A 10 ARG HDx A 11 LYS HGx 1.0 1.8 5.0 1237 935 A 10 ARG HDx A 11 LYS HGy 1.0 1.8 5.0 1238 936 A 10 ARG HDx A 22 LEU HDy% 1.0 1.8 5.0 1239 936 A 10 ARG HDx A 22 LEU HDx% 1.0 1.8 5.0 1240 937 A 11 LYS H A 11 LYS HGx 1.0 1.8 5.0 1241 937 A 11 LYS H A 11 LYS HGy 1.0 1.8 5.0 1242 938 A 11 LYS H A 22 LEU HDy% 1.0 1.8 5.0 1243 938 A 11 LYS H A 22 LEU HDx% 1.0 1.8 5.0 1244 939 A 11 LYS HA A 11 LYS HGx 1.0 1.8 5.0 1245 939 A 11 LYS HA A 11 LYS HGy 1.0 1.8 5.0 1246 940 A 11 LYS HA A 11 LYS HDy 1.0 1.8 5.0 1247 940 A 11 LYS HA A 11 LYS HDx 1.0 1.8 5.0 1248 941 A 11 LYS HA A 12 LYS HGy 1.0 1.8 5.0 1249 941 A 11 LYS HA A 12 LYS HGx 1.0 1.8 5.0 1250 942 A 11 LYS HBy A 11 LYS HDy 1.0 1.8 5.0 1251 942 A 11 LYS HBy A 11 LYS HDx 1.0 1.8 5.0 1252 943 A 11 LYS HBy A 22 LEU HDy% 1.0 1.8 5.0 1253 943 A 11 LYS HBy A 22 LEU HDx% 1.0 1.8 5.0 1254 944 A 11 LYS HBx A 11 LYS HDy 1.0 1.8 3.5 1255 944 A 11 LYS HBx A 11 LYS HDx 1.0 1.8 3.5 1256 945 A 11 LYS HBx A 22 LEU HDy% 1.0 1.8 5.0 1257 945 A 11 LYS HBx A 22 LEU HDx% 1.0 1.8 5.0 1258 946 A 11 LYS HEx A 11 LYS HGx 1.0 1.8 3.5 1259 946 A 11 LYS HEy A 11 LYS HGx 1.0 1.8 3.5 1260 946 A 11 LYS HGy A 11 LYS HEx 1.0 1.8 3.5 1261 946 A 11 LYS HEy A 11 LYS HGy 1.0 1.8 3.5 1262 947 A 12 LYS H A 11 LYS HGx 1.0 1.8 5.0 1263 947 A 12 LYS H A 11 LYS HGy 1.0 1.8 5.0 1264 948 A 22 LEU H A 11 LYS HGx 1.0 1.8 5.0 1265 948 A 22 LEU H A 11 LYS HGy 1.0 1.8 5.0 1266 949 A 22 LEU HBy A 11 LYS HGx 1.0 1.8 5.0 1267 949 A 22 LEU HBy A 11 LYS HGy 1.0 1.8 5.0 1268 950 A 22 LEU HG A 11 LYS HGx 1.0 1.8 5.0 1269 950 A 22 LEU HG A 11 LYS HGy 1.0 1.8 5.0 1270 951 A 11 LYS HGx A 22 LEU HDy% 1.0 1.8 3.5 1271 951 A 22 LEU HDx% A 11 LYS HGx 1.0 1.8 3.5 1272 951 A 22 LEU HDx% A 11 LYS HGy 1.0 1.8 3.5 1273 951 A 11 LYS HGy A 22 LEU HDy% 1.0 1.8 3.5 1274 952 A 12 LYS HA A 11 LYS HDy 1.0 1.8 6.0 1275 952 A 12 LYS HA A 11 LYS HDx 1.0 1.8 6.0 1276 953 A 22 LEU HBx A 11 LYS HDy 1.0 1.8 5.0 1277 953 A 22 LEU HBx A 11 LYS HDx 1.0 1.8 5.0 1278 954 A 22 LEU HBy A 11 LYS HDy 1.0 1.8 6.0 1279 954 A 22 LEU HBy A 11 LYS HDx 1.0 1.8 6.0 1280 955 A 22 LEU HG A 11 LYS HDy 1.0 1.8 6.0 1281 955 A 22 LEU HG A 11 LYS HDx 1.0 1.8 6.0 1282 956 A 11 LYS HDx A 22 LEU HDy% 1.0 1.8 3.5 1283 956 A 11 LYS HDy A 22 LEU HDy% 1.0 1.8 3.5 1284 956 A 22 LEU HDx% A 11 LYS HDy 1.0 1.8 3.5 1285 956 A 22 LEU HDx% A 11 LYS HDx 1.0 1.8 3.5 1286 957 A 35 TRP HE1 A 11 LYS HDy 1.0 1.8 6.0 1287 957 A 35 TRP HE1 A 11 LYS HDx 1.0 1.8 6.0 1288 958 A 11 LYS HEx A 22 LEU HDy% 1.0 1.8 5.0 1289 958 A 11 LYS HEy A 22 LEU HDy% 1.0 1.8 5.0 1290 958 A 22 LEU HDx% A 11 LYS HEx 1.0 1.8 5.0 1291 958 A 11 LYS HEy A 22 LEU HDx% 1.0 1.8 5.0 1292 959 A 12 LYS H A 12 LYS HGy 1.0 1.8 5.0 1293 959 A 12 LYS H A 12 LYS HGx 1.0 1.8 5.0 1294 960 A 12 LYS HA A 13 ARG HBy 1.0 1.8 5.0 1295 960 A 12 LYS HA A 13 ARG HBx 1.0 1.8 5.0 1296 961 A 12 LYS HEx A 12 LYS HGy 1.0 1.8 5.0 1297 961 A 12 LYS HEy A 12 LYS HGy 1.0 1.8 5.0 1298 961 A 12 LYS HGx A 12 LYS HEx 1.0 1.8 5.0 1299 961 A 12 LYS HEy A 12 LYS HGx 1.0 1.8 5.0 1300 962 A 13 ARG H A 12 LYS HGy 1.0 1.8 5.0 1301 962 A 13 ARG H A 12 LYS HGx 1.0 1.8 5.0 1302 963 A 12 LYS HGx A 19 VAL HGx% 1.0 1.8 5.0 1303 963 A 19 VAL HGy% A 12 LYS HGy 1.0 1.8 5.0 1304 963 A 12 LYS HGx A 19 VAL HGy% 1.0 1.8 5.0 1305 963 A 12 LYS HGy A 19 VAL HGx% 1.0 1.8 5.0 1306 964 A 21 TYR HD% A 12 LYS HGy 1.0 1.8 5.0 1307 964 A 21 TYR HD% A 12 LYS HGx 1.0 1.8 5.0 1308 965 A 12 LYS HEy A 14 VAL HGx% 1.0 1.8 5.0 1309 965 A 14 VAL HGy% A 12 LYS HEx 1.0 1.8 5.0 1310 965 A 12 LYS HEy A 14 VAL HGy% 1.0 1.8 5.0 1311 965 A 12 LYS HEx A 14 VAL HGx% 1.0 1.8 5.0 1312 966 A 12 LYS HEy A 19 VAL HGx% 1.0 1.8 5.0 1313 966 A 19 VAL HGy% A 12 LYS HEx 1.0 1.8 5.0 1314 966 A 12 LYS HEy A 19 VAL HGy% 1.0 1.8 5.0 1315 966 A 12 LYS HEx A 19 VAL HGx% 1.0 1.8 5.0 1316 967 A 13 ARG H A 19 VAL HGx% 1.0 1.8 5.0 1317 967 A 13 ARG H A 19 VAL HGy% 1.0 1.8 5.0 1318 968 A 13 ARG H A 20 GLU HBy 1.0 1.8 5.0 1319 968 A 13 ARG H A 20 GLU HBx 1.0 1.8 5.0 1320 969 A 14 VAL H A 13 ARG HBy 1.0 1.8 5.0 1321 969 A 14 VAL H A 13 ARG HBx 1.0 1.8 5.0 1322 970 A 13 ARG HGy A 14 VAL HGx% 1.0 1.8 5.0 1323 970 A 13 ARG HGx A 14 VAL HGx% 1.0 1.8 5.0 1324 970 A 14 VAL HGy% A 13 ARG HGx 1.0 1.8 5.0 1325 970 A 13 ARG HGy A 14 VAL HGy% 1.0 1.8 5.0 1326 971 A 14 VAL H A 14 VAL HGx% 1.0 1.8 3.5 1327 971 A 14 VAL H A 14 VAL HGy% 1.0 1.8 3.5 1328 972 A 14 VAL HA A 14 VAL HGx% 1.0 1.8 3.5 1329 972 A 14 VAL HA A 14 VAL HGy% 1.0 1.8 3.5 1330 973 A 14 VAL HA A 19 VAL HGx% 1.0 1.8 5.0 1331 973 A 14 VAL HA A 19 VAL HGy% 1.0 1.8 5.0 1332 974 A 15 ARG H A 14 VAL HGx% 1.0 1.8 3.5 1333 974 A 15 ARG H A 14 VAL HGy% 1.0 1.8 3.5 1334 975 A 17 GLY H A 14 VAL HGx% 1.0 1.8 5.0 1335 975 A 17 GLY H A 14 VAL HGy% 1.0 1.8 5.0 1336 976 A 14 VAL HGy% A 17 GLY HAy 1.0 1.8 5.0 1337 976 A 14 VAL HGx% A 17 GLY HAy 1.0 1.8 5.0 1338 976 A 17 GLY HAx A 14 VAL HGx% 1.0 1.8 5.0 1339 976 A 14 VAL HGy% A 17 GLY HAx 1.0 1.8 5.0 1340 977 A 18 LYS H A 14 VAL HGx% 1.0 1.8 3.5 1341 977 A 18 LYS H A 14 VAL HGy% 1.0 1.8 3.5 1342 978 A 19 VAL HA A 14 VAL HGx% 1.0 1.8 3.5 1343 978 A 19 VAL HA A 14 VAL HGy% 1.0 1.8 3.5 1344 979 A 14 VAL HGx% A 19 VAL HGx% 1.0 1.8 3.5 1345 979 A 14 VAL HGy% A 19 VAL HGx% 1.0 1.8 3.5 1346 979 A 19 VAL HGy% A 14 VAL HGx% 1.0 1.8 3.5 1347 979 A 19 VAL HGy% A 14 VAL HGy% 1.0 1.8 3.5 1348 980 A 20 GLU H A 14 VAL HGx% 1.0 1.8 5.0 1349 980 A 20 GLU H A 14 VAL HGy% 1.0 1.8 5.0 1350 981 A 15 ARG H A 15 ARG HGx 1.0 1.8 5.0 1351 981 A 15 ARG H A 15 ARG HGy 1.0 1.8 5.0 1352 982 A 15 ARG H A 20 GLU HBy 1.0 1.8 5.0 1353 982 A 15 ARG H A 20 GLU HBx 1.0 1.8 5.0 1354 983 A 15 ARG H A 20 GLU HGy 1.0 1.8 6.0 1355 983 A 15 ARG H A 20 GLU HGx 1.0 1.8 6.0 1356 984 A 15 ARG HA A 15 ARG HGx 1.0 1.8 5.0 1357 984 A 15 ARG HA A 15 ARG HGy 1.0 1.8 5.0 1358 985 A 15 ARG HA A 15 ARG HDx 1.0 1.8 5.0 1359 985 A 15 ARG HA A 15 ARG HDy 1.0 1.8 5.0 1360 986 A 15 ARG HBy A 15 ARG HGx 1.0 1.8 2.7 1361 986 A 15 ARG HBx A 15 ARG HGx 1.0 1.8 2.7 1362 986 A 15 ARG HGy A 15 ARG HBy 1.0 1.8 2.7 1363 986 A 15 ARG HGy A 15 ARG HBx 1.0 1.8 2.7 1364 987 A 15 ARG HBy A 15 ARG HDx 1.0 1.8 3.5 1365 987 A 15 ARG HBx A 15 ARG HDx 1.0 1.8 3.5 1366 987 A 15 ARG HDy A 15 ARG HBy 1.0 1.8 3.5 1367 987 A 15 ARG HDy A 15 ARG HBx 1.0 1.8 3.5 1368 988 A 16 LYS HA A 15 ARG HBy 1.0 1.8 6.0 1369 988 A 16 LYS HA A 15 ARG HBx 1.0 1.8 6.0 1370 989 A 15 ARG HBy A 16 LYS HBy 1.0 1.8 5.0 1371 989 A 15 ARG HBx A 16 LYS HBy 1.0 1.8 5.0 1372 989 A 16 LYS HBx A 15 ARG HBy 1.0 1.8 5.0 1373 989 A 15 ARG HBx A 16 LYS HBx 1.0 1.8 5.0 1374 990 A 15 ARG HBx A 16 LYS HGx 1.0 1.8 5.0 1375 990 A 15 ARG HBy A 16 LYS HGx 1.0 1.8 5.0 1376 990 A 16 LYS HGy A 15 ARG HBy 1.0 1.8 5.0 1377 990 A 16 LYS HGy A 15 ARG HBx 1.0 1.8 5.0 1378 991 A 15 ARG HBx A 20 GLU HBy 1.0 1.8 5.0 1379 991 A 15 ARG HBy A 20 GLU HBy 1.0 1.8 5.0 1380 991 A 20 GLU HBx A 15 ARG HBy 1.0 1.8 5.0 1381 991 A 20 GLU HBx A 15 ARG HBx 1.0 1.8 5.0 1382 992 A 15 ARG HBx A 20 GLU HGy 1.0 1.8 6.0 1383 992 A 20 GLU HGx A 15 ARG HBy 1.0 1.8 6.0 1384 992 A 20 GLU HGx A 15 ARG HBx 1.0 1.8 6.0 1385 992 A 15 ARG HBy A 20 GLU HGy 1.0 1.8 6.0 1386 993 A 16 LYS HA A 15 ARG HDx 1.0 1.8 5.0 1387 993 A 16 LYS HA A 15 ARG HDy 1.0 1.8 5.0 1388 994 A 15 ARG HDy A 16 LYS HGx 1.0 1.8 5.0 1389 994 A 15 ARG HDx A 16 LYS HGx 1.0 1.8 5.0 1390 994 A 16 LYS HGy A 15 ARG HDx 1.0 1.8 5.0 1391 994 A 16 LYS HGy A 15 ARG HDy 1.0 1.8 5.0 1392 995 A 16 LYS HA A 16 LYS HDy 1.0 1.8 5.0 1393 995 A 16 LYS HA A 16 LYS HDx 1.0 1.8 5.0 1394 996 A 16 LYS HA A 17 GLY HAy 1.0 1.8 5.0 1395 996 A 16 LYS HA A 17 GLY HAx 1.0 1.8 5.0 1396 997 A 16 LYS HBx A 16 LYS HDy 1.0 1.8 3.5 1397 997 A 16 LYS HDx A 16 LYS HBy 1.0 1.8 3.5 1398 997 A 16 LYS HBx A 16 LYS HDx 1.0 1.8 3.5 1399 997 A 16 LYS HBy A 16 LYS HDy 1.0 1.8 3.5 1400 998 A 16 LYS HBy A 16 LYS HEx 1.0 1.8 5.0 1401 998 A 16 LYS HBx A 16 LYS HEx 1.0 1.8 5.0 1402 998 A 16 LYS HEy A 16 LYS HBy 1.0 1.8 5.0 1403 998 A 16 LYS HEy A 16 LYS HBx 1.0 1.8 5.0 1404 999 A 18 LYS H A 19 VAL HGx% 1.0 1.8 6.0 1405 999 A 18 LYS H A 19 VAL HGy% 1.0 1.8 6.0 1406 1000 A 18 LYS HA A 19 VAL HGx% 1.0 1.8 5.0 1407 1000 A 18 LYS HA A 19 VAL HGy% 1.0 1.8 5.0 1408 1001 A 18 LYS HGx A 19 VAL HGx% 1.0 1.8 6.0 1409 1001 A 18 LYS HGx A 19 VAL HGy% 1.0 1.8 6.0 1410 1002 A 19 VAL H A 19 VAL HGx% 1.0 1.8 3.5 1411 1002 A 19 VAL H A 19 VAL HGy% 1.0 1.8 3.5 1412 1003 A 19 VAL HB A 38 GLU HGy 1.0 1.8 5.0 1413 1003 A 19 VAL HB A 38 GLU HGx 1.0 1.8 5.0 1414 1004 A 20 GLU H A 19 VAL HGx% 1.0 1.8 3.5 1415 1004 A 20 GLU H A 19 VAL HGy% 1.0 1.8 3.5 1416 1005 A 21 TYR HD% A 19 VAL HGx% 1.0 1.8 5.0 1417 1005 A 21 TYR HD% A 19 VAL HGy% 1.0 1.8 5.0 1418 1006 A 21 TYR HE% A 19 VAL HGx% 1.0 1.8 5.0 1419 1006 A 21 TYR HE% A 19 VAL HGy% 1.0 1.8 5.0 1420 1007 A 38 GLU H A 19 VAL HGx% 1.0 1.8 6.0 1421 1007 A 38 GLU H A 19 VAL HGy% 1.0 1.8 6.0 1422 1008 A 38 GLU HA A 19 VAL HGx% 1.0 1.8 5.0 1423 1008 A 38 GLU HA A 19 VAL HGy% 1.0 1.8 5.0 1424 1009 A 19 VAL HGx% A 38 GLU HBx 1.0 1.8 5.0 1425 1009 A 38 GLU HBy A 19 VAL HGx% 1.0 1.8 5.0 1426 1009 A 38 GLU HBy A 19 VAL HGy% 1.0 1.8 5.0 1427 1009 A 19 VAL HGy% A 38 GLU HBx 1.0 1.8 5.0 1428 1010 A 19 VAL HGy% A 38 GLU HGy 1.0 1.8 5.0 1429 1010 A 19 VAL HGx% A 38 GLU HGy 1.0 1.8 5.0 1430 1010 A 38 GLU HGx A 19 VAL HGx% 1.0 1.8 5.0 1431 1010 A 19 VAL HGy% A 38 GLU HGx 1.0 1.8 5.0 1432 1011 A 20 GLU H A 20 GLU HGy 1.0 1.8 5.0 1433 1011 A 20 GLU H A 20 GLU HGx 1.0 1.8 5.0 1434 1012 A 20 GLU HA A 20 GLU HGy 1.0 1.8 5.0 1435 1012 A 20 GLU HA A 20 GLU HGx 1.0 1.8 5.0 1436 1013 A 21 TYR H A 20 GLU HBy 1.0 1.8 5.0 1437 1013 A 21 TYR H A 20 GLU HBx 1.0 1.8 5.0 1438 1014 A 35 TRP HBx A 20 GLU HBy 1.0 1.8 5.0 1439 1014 A 35 TRP HBx A 20 GLU HBx 1.0 1.8 5.0 1440 1015 A 37 PRO HA A 20 GLU HBy 1.0 1.8 5.0 1441 1015 A 37 PRO HA A 20 GLU HBx 1.0 1.8 5.0 1442 1016 A 21 TYR H A 20 GLU HGy 1.0 1.8 5.0 1443 1016 A 21 TYR H A 20 GLU HGx 1.0 1.8 5.0 1444 1017 A 21 TYR H A 21 TYR HBy 1.0 1.8 3.5 1445 1017 A 21 TYR H A 21 TYR HBx 1.0 1.8 3.5 1446 1018 A 22 LEU H A 21 TYR HBy 1.0 1.8 5.0 1447 1018 A 22 LEU H A 21 TYR HBx 1.0 1.8 5.0 1448 1019 A 23 VAL HGx% A 21 TYR HBy 1.0 1.8 6.0 1449 1019 A 23 VAL HGx% A 21 TYR HBx 1.0 1.8 6.0 1450 1020 A 41 ILE HD1% A 21 TYR HBy 1.0 1.8 5.0 1451 1020 A 41 ILE HD1% A 21 TYR HBx 1.0 1.8 5.0 1452 1021 A 21 TYR HD% A 38 GLU HGy 1.0 1.8 5.0 1453 1021 A 21 TYR HD% A 38 GLU HGx 1.0 1.8 5.0 1454 1022 A 21 TYR HE% A 38 GLU HGy 1.0 1.8 3.5 1455 1022 A 21 TYR HE% A 38 GLU HGx 1.0 1.8 3.5 1456 1023 A 22 LEU H A 22 LEU HDy% 1.0 1.8 5.0 1457 1023 A 22 LEU H A 22 LEU HDx% 1.0 1.8 5.0 1458 1024 A 22 LEU HA A 22 LEU HDy% 1.0 1.8 3.5 1459 1024 A 22 LEU HA A 22 LEU HDx% 1.0 1.8 3.5 1460 1025 A 22 LEU HG A 33 SER HBy 1.0 1.8 5.0 1461 1025 A 22 LEU HG A 33 SER HBx 1.0 1.8 5.0 1462 1026 A 23 VAL H A 22 LEU HDy% 1.0 1.8 5.0 1463 1026 A 23 VAL H A 22 LEU HDx% 1.0 1.8 5.0 1464 1027 A 23 VAL HGx% A 22 LEU HDy% 1.0 1.8 5.0 1465 1027 A 23 VAL HGx% A 22 LEU HDx% 1.0 1.8 5.0 1466 1028 A 33 SER HA A 22 LEU HDy% 1.0 1.8 5.0 1467 1028 A 33 SER HA A 22 LEU HDx% 1.0 1.8 5.0 1468 1029 A 22 LEU HDx% A 33 SER HBy 1.0 1.8 3.5 1469 1029 A 22 LEU HDy% A 33 SER HBy 1.0 1.8 3.5 1470 1029 A 33 SER HBx A 22 LEU HDy% 1.0 1.8 3.5 1471 1029 A 22 LEU HDx% A 33 SER HBx 1.0 1.8 3.5 1472 1030 A 34 THR H A 22 LEU HDy% 1.0 1.8 5.0 1473 1030 A 34 THR H A 22 LEU HDx% 1.0 1.8 5.0 1474 1031 A 35 TRP HA A 22 LEU HDy% 1.0 1.8 5.0 1475 1031 A 35 TRP HA A 22 LEU HDx% 1.0 1.8 5.0 1476 1032 A 35 TRP HD1 A 22 LEU HDy% 1.0 1.8 5.0 1477 1032 A 35 TRP HD1 A 22 LEU HDx% 1.0 1.8 5.0 1478 1033 A 35 TRP HE1 A 22 LEU HDy% 1.0 1.8 5.0 1479 1033 A 35 TRP HE1 A 22 LEU HDx% 1.0 1.8 5.0 1480 1034 A 35 TRP HZ2 A 22 LEU HDy% 1.0 1.8 5.0 1481 1034 A 35 TRP HZ2 A 22 LEU HDx% 1.0 1.8 5.0 1482 1035 A 36 GLU H A 22 LEU HDy% 1.0 1.8 6.0 1483 1035 A 36 GLU H A 22 LEU HDx% 1.0 1.8 6.0 1484 1036 A 23 VAL HGx% A 36 GLU HGy 1.0 1.8 6.0 1485 1036 A 23 VAL HGx% A 36 GLU HGx 1.0 1.8 6.0 1486 1037 A 23 VAL HGy% A 36 GLU HGy 1.0 1.8 5.0 1487 1037 A 23 VAL HGy% A 36 GLU HGx 1.0 1.8 5.0 1488 1038 A 24 LYS H A 24 LYS HDx 1.0 1.8 6.0 1489 1038 A 24 LYS H A 24 LYS HDy 1.0 1.8 6.0 1490 1039 A 24 LYS HA A 24 LYS HDx 1.0 1.8 3.5 1491 1039 A 24 LYS HA A 24 LYS HDy 1.0 1.8 3.5 1492 1040 A 24 LYS HA A 24 LYS HEx 1.0 1.8 6.0 1493 1040 A 24 LYS HA A 24 LYS HEy 1.0 1.8 6.0 1494 1041 A 24 LYS HBx A 24 LYS HDx 1.0 1.8 3.5 1495 1041 A 24 LYS HBx A 24 LYS HDy 1.0 1.8 3.5 1496 1042 A 24 LYS HBx A 24 LYS HEx 1.0 1.8 5.0 1497 1042 A 24 LYS HBx A 24 LYS HEy 1.0 1.8 5.0 1498 1043 A 25 TRP H A 24 LYS HDx 1.0 1.8 5.0 1499 1043 A 25 TRP H A 24 LYS HDy 1.0 1.8 5.0 1500 1044 A 30 PRO HA A 24 LYS HDx 1.0 1.8 5.0 1501 1044 A 30 PRO HA A 24 LYS HDy 1.0 1.8 5.0 1502 1045 A 24 LYS HDy A 30 PRO HBx 1.0 1.8 5.0 1503 1045 A 24 LYS HDx A 30 PRO HBx 1.0 1.8 5.0 1504 1045 A 30 PRO HBy A 24 LYS HDx 1.0 1.8 5.0 1505 1045 A 30 PRO HBy A 24 LYS HDy 1.0 1.8 5.0 1506 1046 A 25 TRP H A 24 LYS HEx 1.0 1.8 5.0 1507 1046 A 25 TRP H A 24 LYS HEy 1.0 1.8 5.0 1508 1047 A 25 TRP HBy A 24 LYS HEx 1.0 1.8 6.0 1509 1047 A 25 TRP HBy A 24 LYS HEy 1.0 1.8 6.0 1510 1048 A 29 PRO HA A 24 LYS HEx 1.0 1.8 5.0 1511 1048 A 29 PRO HA A 24 LYS HEy 1.0 1.8 5.0 1512 1049 A 30 PRO HA A 24 LYS HEx 1.0 1.8 5.0 1513 1049 A 30 PRO HA A 24 LYS HEy 1.0 1.8 5.0 1514 1050 A 24 LYS HEx A 30 PRO HDx 1.0 1.8 5.0 1515 1050 A 30 PRO HDy A 24 LYS HEx 1.0 1.8 5.0 1516 1050 A 30 PRO HDy A 24 LYS HEy 1.0 1.8 5.0 1517 1050 A 24 LYS HEy A 30 PRO HDx 1.0 1.8 5.0 1518 1051 A 26 LYS HA A 27 GLY HAy 1.0 1.8 5.0 1519 1051 A 26 LYS HA A 27 GLY HAx 1.0 1.8 5.0 1520 1052 A 28 TRP HA A 27 GLY HAy 1.0 1.8 5.0 1521 1052 A 28 TRP HA A 27 GLY HAx 1.0 1.8 5.0 1522 1053 A 28 TRP HD1 A 27 GLY HAy 1.0 1.8 5.0 1523 1053 A 28 TRP HD1 A 27 GLY HAx 1.0 1.8 5.0 1524 1054 A 29 PRO HA A 30 PRO HGy 1.0 1.8 5.0 1525 1054 A 29 PRO HA A 30 PRO HGx 1.0 1.8 5.0 1526 1055 A 29 PRO HBy A 31 LYS HBx 1.0 1.8 5.0 1527 1055 A 29 PRO HBy A 31 LYS HBy 1.0 1.8 5.0 1528 1056 A 29 PRO HBy A 31 LYS HGy 1.0 1.8 5.0 1529 1056 A 29 PRO HBy A 31 LYS HGx 1.0 1.8 5.0 1530 1057 A 29 PRO HGx A 31 LYS HGy 1.0 1.8 5.0 1531 1057 A 29 PRO HGx A 31 LYS HGx 1.0 1.8 5.0 1532 1058 A 30 PRO HA A 33 SER HBy 1.0 1.8 6.0 1533 1058 A 30 PRO HA A 33 SER HBx 1.0 1.8 6.0 1534 1059 A 31 LYS HBy A 31 LYS HDx 1.0 1.8 3.5 1535 1059 A 31 LYS HBx A 31 LYS HDx 1.0 1.8 3.5 1536 1059 A 31 LYS HDy A 31 LYS HBx 1.0 1.8 3.5 1537 1059 A 31 LYS HDy A 31 LYS HBy 1.0 1.8 3.5 1538 1060 A 32 TYR H A 31 LYS HBx 1.0 1.8 5.0 1539 1060 A 32 TYR H A 31 LYS HBy 1.0 1.8 5.0 1540 1061 A 32 TYR HA A 31 LYS HBx 1.0 1.8 6.0 1541 1061 A 32 TYR HA A 31 LYS HBy 1.0 1.8 6.0 1542 1062 A 32 TYR HE% A 31 LYS HBx 1.0 1.8 6.0 1543 1062 A 32 TYR HE% A 31 LYS HBy 1.0 1.8 6.0 1544 1063 A 32 TYR H A 31 LYS HGy 1.0 1.8 5.0 1545 1063 A 32 TYR H A 31 LYS HGx 1.0 1.8 5.0 1546 1064 A 32 TYR HA A 31 LYS HGy 1.0 1.8 5.0 1547 1064 A 32 TYR HA A 31 LYS HGx 1.0 1.8 5.0 1548 1065 A 32 TYR HD% A 31 LYS HGy 1.0 1.8 5.0 1549 1065 A 32 TYR HD% A 31 LYS HGx 1.0 1.8 5.0 1550 1066 A 32 TYR H A 33 SER HBy 1.0 1.8 5.0 1551 1066 A 32 TYR H A 33 SER HBx 1.0 1.8 5.0 1552 1067 A 33 SER H A 33 SER HBy 1.0 1.8 3.5 1553 1067 A 33 SER H A 33 SER HBx 1.0 1.8 3.5 1554 1068 A 35 TRP HA A 36 GLU HGy 1.0 1.8 5.0 1555 1068 A 35 TRP HA A 36 GLU HGx 1.0 1.8 5.0 1556 1069 A 36 GLU H A 36 GLU HGy 1.0 1.8 5.0 1557 1069 A 36 GLU H A 36 GLU HGx 1.0 1.8 5.0 1558 1070 A 37 PRO HDy A 36 GLU HGy 1.0 1.8 6.0 1559 1070 A 37 PRO HDy A 36 GLU HGx 1.0 1.8 6.0 1560 1071 A 40 HIS HBx A 36 GLU HGy 1.0 1.8 5.0 1561 1071 A 40 HIS HBx A 36 GLU HGx 1.0 1.8 5.0 1562 1072 A 37 PRO HGx A 39 GLU HGy 1.0 1.8 3.5 1563 1072 A 37 PRO HGy A 39 GLU HGy 1.0 1.8 3.5 1564 1072 A 39 GLU HGx A 37 PRO HGx 1.0 1.8 3.5 1565 1072 A 37 PRO HGy A 39 GLU HGx 1.0 1.8 3.5 1566 1073 A 37 PRO HDy A 39 GLU HGy 1.0 1.8 5.0 1567 1073 A 37 PRO HDy A 39 GLU HGx 1.0 1.8 5.0 1568 1074 A 37 PRO HDx A 39 GLU HGy 1.0 1.8 5.0 1569 1074 A 37 PRO HDx A 39 GLU HGx 1.0 1.8 5.0 1570 1075 A 38 GLU H A 38 GLU HGy 1.0 1.8 5.0 1571 1075 A 38 GLU H A 38 GLU HGx 1.0 1.8 5.0 1572 1076 A 41 ILE HG1y A 38 GLU HGy 1.0 1.8 6.0 1573 1076 A 41 ILE HG1y A 38 GLU HGx 1.0 1.8 6.0 1574 1077 A 41 ILE HG1x A 38 GLU HGy 1.0 1.8 6.0 1575 1077 A 41 ILE HG1x A 38 GLU HGx 1.0 1.8 6.0 1576 1078 A 41 ILE HD1% A 38 GLU HGy 1.0 1.8 5.0 1577 1078 A 41 ILE HD1% A 38 GLU HGx 1.0 1.8 5.0 1578 1079 A 47 VAL HGx% A 38 GLU HGy 1.0 1.8 6.0 1579 1079 A 47 VAL HGx% A 38 GLU HGx 1.0 1.8 6.0 1580 1080 A 47 VAL HGy% A 38 GLU HGy 1.0 1.8 5.0 1581 1080 A 47 VAL HGy% A 38 GLU HGx 1.0 1.8 5.0 1582 1081 A 39 GLU HA A 39 GLU HGy 1.0 1.8 3.5 1583 1081 A 39 GLU HA A 39 GLU HGx 1.0 1.8 3.5 1584 1082 A 39 GLU HBx A 39 GLU HGy 1.0 1.8 2.7 1585 1082 A 39 GLU HBy A 39 GLU HGy 1.0 1.8 2.7 1586 1082 A 39 GLU HGx A 39 GLU HBx 1.0 1.8 2.7 1587 1082 A 39 GLU HBy A 39 GLU HGx 1.0 1.8 2.7 1588 1083 A 40 HIS H A 39 GLU HGy 1.0 1.8 5.0 1589 1083 A 40 HIS H A 39 GLU HGx 1.0 1.8 5.0 1590 1084 A 40 HIS HBx A 39 GLU HGy 1.0 1.8 6.0 1591 1084 A 40 HIS HBx A 39 GLU HGx 1.0 1.8 6.0 1592 1085 A 41 ILE HG2% A 43 ASP HBx 1.0 1.8 6.0 1593 1085 A 41 ILE HG2% A 43 ASP HBy 1.0 1.8 6.0 1594 1086 A 43 ASP H A 43 ASP HBx 1.0 1.8 3.5 1595 1086 A 43 ASP H A 43 ASP HBy 1.0 1.8 3.5 1596 1087 A 43 ASP HBy A 44 PRO HDx 1.0 1.8 5.0 1597 1087 A 43 ASP HBx A 44 PRO HDx 1.0 1.8 5.0 1598 1087 A 44 PRO HDy A 43 ASP HBx 1.0 1.8 5.0 1599 1087 A 44 PRO HDy A 43 ASP HBy 1.0 1.8 5.0 1600 1088 A 45 ARG H A 43 ASP HBx 1.0 1.8 5.0 1601 1088 A 45 ARG H A 43 ASP HBy 1.0 1.8 5.0 1602 1089 A 43 ASP HBy A 45 ARG HGx 1.0 1.8 5.0 1603 1089 A 43 ASP HBx A 45 ARG HGx 1.0 1.8 5.0 1604 1089 A 45 ARG HGy A 43 ASP HBx 1.0 1.8 5.0 1605 1089 A 45 ARG HGy A 43 ASP HBy 1.0 1.8 5.0 1606 1090 A 43 ASP HBy A 45 ARG HDx 1.0 1.8 5.0 1607 1090 A 43 ASP HBx A 45 ARG HDx 1.0 1.8 5.0 1608 1090 A 45 ARG HDy A 43 ASP HBx 1.0 1.8 5.0 1609 1090 A 43 ASP HBy A 45 ARG HDy 1.0 1.8 5.0 1610 1091 A 46 LEU H A 43 ASP HBx 1.0 1.8 5.0 1611 1091 A 46 LEU H A 43 ASP HBy 1.0 1.8 5.0 1612 1092 A 46 LEU HG A 43 ASP HBx 1.0 1.8 5.0 1613 1092 A 46 LEU HG A 43 ASP HBy 1.0 1.8 5.0 1614 1093 A 46 LEU HDx% A 43 ASP HBx 1.0 1.8 5.0 1615 1093 A 46 LEU HDx% A 43 ASP HBy 1.0 1.8 5.0 1616 1094 A 46 LEU HDy% A 43 ASP HBx 1.0 1.8 5.0 1617 1094 A 46 LEU HDy% A 43 ASP HBy 1.0 1.8 5.0 1618 1095 A 44 PRO HBy A 45 ARG HDx 1.0 1.8 6.0 1619 1095 A 44 PRO HBy A 45 ARG HDy 1.0 1.8 6.0 1620 1096 A 45 ARG HA A 45 ARG HDx 1.0 1.8 5.0 1621 1096 A 45 ARG HA A 45 ARG HDy 1.0 1.8 5.0 1622 1097 A 45 ARG HBx A 45 ARG HDx 1.0 1.8 3.5 1623 1097 A 45 ARG HBy A 45 ARG HDx 1.0 1.8 3.5 1624 1097 A 45 ARG HDy A 45 ARG HBx 1.0 1.8 3.5 1625 1097 A 45 ARG HBy A 45 ARG HDy 1.0 1.8 3.5 1626 1098 A 46 LEU HG A 45 ARG HDx 1.0 1.8 5.0 1627 1098 A 46 LEU HG A 45 ARG HDy 1.0 1.8 5.0 1628 1099 A 49 ALA HB% A 53 LYS HBx 1.0 1.8 6.0 1629 1099 A 49 ALA HB% A 53 LYS HBy 1.0 1.8 6.0 1630 1100 A 50 TYR H A 51 GLU HGy 1.0 1.8 6.0 1631 1100 A 50 TYR H A 51 GLU HGx 1.0 1.8 6.0 1632 1101 A 50 TYR HD% A 51 GLU HGy 1.0 1.8 5.0 1633 1101 A 50 TYR HD% A 51 GLU HGx 1.0 1.8 5.0 1634 1102 A 50 TYR HE% A 51 GLU HGy 1.0 1.8 5.0 1635 1102 A 50 TYR HE% A 51 GLU HGx 1.0 1.8 5.0 1636 1103 A 51 GLU H A 51 GLU HGy 1.0 1.8 5.0 1637 1103 A 51 GLU H A 51 GLU HGx 1.0 1.8 5.0 1638 1104 A 52 GLU H A 51 GLU HGy 1.0 1.8 6.0 1639 1104 A 52 GLU H A 51 GLU HGx 1.0 1.8 6.0 1640 1105 A 53 LYS HBy A 53 LYS HDx 1.0 1.8 3.5 1641 1105 A 53 LYS HDy A 53 LYS HBx 1.0 1.8 3.5 1642 1105 A 53 LYS HDy A 53 LYS HBy 1.0 1.8 3.5 1643 1105 A 53 LYS HBx A 53 LYS HDx 1.0 1.8 3.5 1644 1106 A 53 LYS HBy A 53 LYS HEx 1.0 1.8 5.0 1645 1106 A 53 LYS HBx A 53 LYS HEx 1.0 1.8 5.0 1646 1106 A 53 LYS HEy A 53 LYS HBx 1.0 1.8 5.0 1647 1106 A 53 LYS HEy A 53 LYS HBy 1.0 1.8 5.0 1648 1107 A 54 GLU H A 53 LYS HBx 1.0 1.8 3.5 1649 1107 A 54 GLU H A 53 LYS HBy 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 VAL C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -154.0 -78.0 PHI 2 2 A 4 PHE N A 4 PHE CA A 4 PHE C A 5 ALA N 1.0 73.0 165.0 PSI 3 3 A 4 PHE C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -140.0 -60.0 PHI 4 4 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 VAL N 1.0 86.0 178.0 PSI 5 5 A 5 ALA C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -89.0 -53.0 PHI 6 6 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 GLU N 1.0 121.0 153.0 PSI 7 7 A 7 GLU C A 8 SER N A 8 SER CA A 8 SER C 1.0 -175.0 -71.0 PHI 8 8 A 8 SER N A 8 SER CA A 8 SER C A 9 ILE N 1.0 117.0 201.0 PSI 9 9 A 8 SER C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -159.0 -75.0 PHI 10 10 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 ARG N 1.0 104.0 156.0 PSI 11 11 A 10 ARG C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -168.0 -128.0 PHI 12 12 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 LYS N 1.0 129.0 161.0 PSI 13 13 A 11 LYS C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -164.0 -76.0 PHI 14 14 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 ARG N 1.0 109.0 173.0 PSI 15 15 A 12 LYS C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -195.0 -79.0 PHI 16 16 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 VAL N 1.0 109.0 181.0 PSI 17 17 A 13 ARG C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -145.0 -89.0 PHI 18 18 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 ARG N 1.0 117.0 145.0 PSI 19 19 A 14 VAL C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -171.0 -75.0 PHI 20 20 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 LYS N 1.0 97.0 169.0 PSI 21 21 A 15 ARG C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 42.0 66.0 PHI 22 22 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 GLY N 1.0 27.0 51.0 PSI 23 23 A 16 LYS C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 60.0 92.0 PHI 24 24 A 17 GLY N A 17 GLY CA A 17 GLY C A 18 LYS N 1.0 -17.0 27.0 PSI 25 25 A 17 GLY C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -134.3 -85.7 PHI 26 26 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 VAL N 1.0 113.0 158.6 PSI 27 27 A 18 LYS C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -126.0 -66.0 PHI 28 28 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 GLU N 1.0 113.0 145.0 PSI 29 29 A 19 VAL C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -169.0 -101.0 PHI 30 30 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 TYR N 1.0 141.0 181.0 PSI 31 31 A 20 GLU C A 21 TYR N A 21 TYR CA A 21 TYR C 1.0 -184.0 -84.0 PHI 32 32 A 21 TYR N A 21 TYR CA A 21 TYR C A 22 LEU N 1.0 105.0 165.0 PSI 33 33 A 21 TYR C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -145.0 -49.0 PHI 34 34 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 VAL N 1.0 108.0 144.0 PSI 35 35 A 22 LEU C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -145.4 -71.6 PHI 36 36 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 LYS N 1.0 113.6 157.7 PSI 37 37 A 23 VAL C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -145.1 -66.4 PHI 38 38 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 TRP N 1.0 92.0 150.9 PSI 39 39 A 24 LYS C A 25 TRP N A 25 TRP CA A 25 TRP C 1.0 -148.2 -56.8 PHI 40 40 A 25 TRP N A 25 TRP CA A 25 TRP C A 26 LYS N 1.0 79.8 155.3 PSI 41 41 A 27 GLY C A 28 TRP N A 28 TRP CA A 28 TRP C 1.0 -158.0 -62.0 PHI 42 42 A 28 TRP N A 28 TRP CA A 28 TRP C A 29 PRO N 1.0 66.0 182.0 PSI 43 43 A 30 PRO C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -89.0 -49.0 PHI 44 44 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 TYR N 1.0 -54.0 18.0 PSI 45 45 A 31 LYS C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -120.0 -64.0 PHI 46 46 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 SER N 1.0 -28.0 20.0 PSI 47 47 A 33 SER C A 34 THR N A 34 THR CA A 34 THR C 1.0 -162.0 -70.0 PHI 48 48 A 34 THR N A 34 THR CA A 34 THR C A 35 TRP N 1.0 123.0 175.0 PSI 49 49 A 34 THR C A 35 TRP N A 35 TRP CA A 35 TRP C 1.0 -111.0 -59.0 PHI 50 50 A 35 TRP N A 35 TRP CA A 35 TRP C A 36 GLU N 1.0 104.0 156.0 PSI 51 51 A 35 TRP C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -149.0 -73.0 PHI 52 52 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 PRO N 1.0 103.0 191.0 PSI 53 53 A 37 PRO C A 38 GLU N A 38 GLU CA A 38 GLU C 1.0 -73.0 -37.0 PHI 54 54 A 38 GLU N A 38 GLU CA A 38 GLU C A 39 GLU N 1.0 -58.0 -6.0 PSI 55 55 A 38 GLU C A 39 GLU N A 39 GLU CA A 39 GLU C 1.0 -91.0 -47.0 PHI 56 56 A 39 GLU N A 39 GLU CA A 39 GLU C A 40 HIS N 1.0 -49.0 -1.0 PSI 57 57 A 39 GLU C A 40 HIS N A 40 HIS CA A 40 HIS C 1.0 -131.0 -63.0 PHI 58 58 A 40 HIS N A 40 HIS CA A 40 HIS C A 41 ILE N 1.0 -37.0 31.0 PSI 59 59 A 44 PRO C A 45 ARG N A 45 ARG CA A 45 ARG C 1.0 -74.0 -50.0 PHI 60 60 A 45 ARG N A 45 ARG CA A 45 ARG C A 46 LEU N 1.0 -66.0 -18.0 PSI 61 61 A 45 ARG C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -79.0 -51.0 PHI 62 62 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 VAL N 1.0 -56.0 -20.0 PSI 63 63 A 46 LEU C A 47 VAL N A 47 VAL CA A 47 VAL C 1.0 -85.0 -49.0 PHI 64 64 A 47 VAL N A 47 VAL CA A 47 VAL C A 48 MET N 1.0 -54.0 -18.0 PSI 65 65 A 47 VAL C A 48 MET N A 48 MET CA A 48 MET C 1.0 -76.0 -48.0 PHI 66 66 A 48 MET N A 48 MET CA A 48 MET C A 49 ALA N 1.0 -56.0 -16.0 PSI 67 67 A 48 MET C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -75.0 -51.0 PHI 68 68 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 TYR N 1.0 -53.0 -17.0 PSI 69 69 A 49 ALA C A 50 TYR N A 50 TYR CA A 50 TYR C 1.0 -88.0 -52.0 PHI 70 70 A 50 TYR N A 50 TYR CA A 50 TYR C A 51 GLU N 1.0 -75.0 -3.0 PSI 71 71 A 50 TYR C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -97.0 -41.0 PHI 72 72 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 GLU N 1.0 -61.0 -5.0 PSI 73 73 A 51 GLU C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -90.0 -46.0 PHI 74 74 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 LYS N 1.0 -58.0 -6.0 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 1 15N 2433.09 2 1H 9606.15 3 1H 11160.71 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 1 13C 13678.89 2 1H 9606.15 3 1H 11160.71 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 1 13C 6035.00 2 1H 9606.15 3 1H 11160.71 stop_ save_