data_nef_c18511_2lu7 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -1 SER start . . 2 A 0 HIS middle . . 3 A 1 MET middle . . 4 A 2 THR middle . . 5 A 3 ARG middle . . 6 A 4 VAL middle . . 7 A 5 ARG middle . . 8 A 6 SER middle . . 9 A 7 THR middle . . 10 A 8 PRO middle . false 11 A 9 GLY middle . false 12 A 10 GLY middle . false 13 A 11 ASP middle . . 14 A 12 LEU middle . . 15 A 13 GLU middle . . 16 A 14 LEU middle . . 17 A 15 VAL middle . . 18 A 16 VAL middle . . 19 A 17 HIS middle . . 20 A 18 LEU middle . . 21 A 19 SER middle . . 22 A 20 GLY middle . false 23 A 21 PRO middle . false 24 A 22 GLY middle . false 25 A 23 GLY middle . false 26 A 24 PRO middle . true 27 A 25 VAL middle . . 28 A 26 ARG middle . . 29 A 27 TRP middle . . 30 A 28 TYR middle . . 31 A 29 LYS middle . . 32 A 30 ASP middle . . 33 A 31 GLY middle . false 34 A 32 GLU middle . . 35 A 33 ARG middle . . 36 A 34 LEU middle . . 37 A 35 ALA middle . . 38 A 36 SER middle . . 39 A 37 GLN middle . . 40 A 38 GLY middle . false 41 A 39 ARG middle . . 42 A 40 VAL middle . . 43 A 41 GLN middle . . 44 A 42 LEU middle . . 45 A 43 GLU middle . . 46 A 44 GLN middle . . 47 A 45 ALA middle . . 48 A 46 GLY middle . false 49 A 47 ALA middle . . 50 A 48 ARG middle . . 51 A 49 GLN middle . . 52 A 50 VAL middle . . 53 A 51 LEU middle . . 54 A 52 ARG middle . . 55 A 53 VAL middle . . 56 A 54 GLN middle . . 57 A 55 GLY middle . false 58 A 56 ALA middle . . 59 A 57 ARG middle . . 60 A 58 SER middle . . 61 A 59 GLY middle . false 62 A 60 ASP middle . . 63 A 61 ALA middle . . 64 A 62 GLY middle . false 65 A 63 GLU middle . . 66 A 64 TYR middle . . 67 A 65 LEU middle . . 68 A 66 CYS middle . . 69 A 67 ASP middle . . 70 A 68 ALA middle . . 71 A 69 PRO middle . false 72 A 70 GLN middle . . 73 A 71 ASP middle . . 74 A 72 SER middle . . 75 A 73 ARG middle . . 76 A 74 ILE middle . . 77 A 75 PHE middle . . 78 A 76 LEU middle . . 79 A 77 VAL middle . . 80 A 78 SER middle . . 81 A 79 VAL middle . . 82 A 80 GLU middle . . 83 A 81 GLU middle . . 84 A 82 PRO end . false stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.924 0.030 A 1 MET HB2 H 1 1.809 0.030 A 1 MET HB3 H 1 1.809 0.030 A 1 MET HE% H 1 2.013 0.030 A 1 MET HGy H 1 2.346 0.030 A 1 MET HGx H 1 2.207 0.030 A 1 MET C C 13 175.152 0.450 A 1 MET CA C 13 54.580 0.450 A 1 MET CB C 13 34.527 0.450 A 1 MET CE C 13 17.217 0.450 A 1 MET CG C 13 31.765 0.450 A 2 THR H H 1 8.319 0.030 A 2 THR HA H 1 4.463 0.030 A 2 THR HB H 1 3.855 0.030 A 2 THR HG2% H 1 1.336 0.030 A 2 THR C C 13 173.255 0.450 A 2 THR CA C 13 62.056 0.450 A 2 THR CB C 13 70.955 0.450 A 2 THR CG2 C 13 21.315 0.450 A 2 THR N N 15 121.282 0.450 A 3 ARG H H 1 8.958 0.030 A 3 ARG HA H 1 5.083 0.030 A 3 ARG HBx H 1 1.817 0.030 A 3 ARG HBy H 1 1.891 0.030 A 3 ARG HD2 H 1 3.249 0.030 A 3 ARG HD3 H 1 3.249 0.030 A 3 ARG HGy H 1 1.738 0.030 A 3 ARG HGx H 1 1.641 0.030 A 3 ARG C C 13 175.694 0.450 A 3 ARG CA C 13 55.236 0.450 A 3 ARG CB C 13 30.776 0.450 A 3 ARG CD C 13 43.126 0.450 A 3 ARG CG C 13 28.444 0.450 A 3 ARG N N 15 127.535 0.450 A 4 VAL H H 1 8.812 0.030 A 4 VAL HA H 1 4.332 0.030 A 4 VAL HB H 1 1.882 0.030 A 4 VAL HG1% H 1 0.884 0.030 A 4 VAL HG2% H 1 1.061 0.030 A 4 VAL C C 13 173.365 0.450 A 4 VAL CA C 13 61.473 0.450 A 4 VAL CB C 13 35.854 0.450 A 4 VAL CG1 C 13 20.705 0.450 A 4 VAL CG2 C 13 21.384 0.450 A 4 VAL N N 15 125.495 0.450 A 5 ARG H H 1 8.712 0.030 A 5 ARG HA H 1 5.175 0.030 A 5 ARG HBx H 1 1.677 0.030 A 5 ARG HBy H 1 1.776 0.030 A 5 ARG HD2 H 1 3.128 0.030 A 5 ARG HD3 H 1 3.128 0.030 A 5 ARG HG2 H 1 1.506 0.030 A 5 ARG HG3 H 1 1.506 0.030 A 5 ARG C C 13 175.694 0.450 A 5 ARG CA C 13 54.373 0.450 A 5 ARG CB C 13 31.679 0.450 A 5 ARG CD C 13 43.311 0.450 A 5 ARG CG C 13 26.937 0.450 A 5 ARG N N 15 127.554 0.450 A 6 SER H H 1 8.669 0.030 A 6 SER HA H 1 4.762 0.030 A 6 SER HBx H 1 3.440 0.030 A 6 SER HBy H 1 3.487 0.030 A 6 SER C C 13 173.555 0.450 A 6 SER CA C 13 56.428 0.450 A 6 SER CB C 13 65.450 0.450 A 6 SER N N 15 120.281 0.450 A 7 THR H H 1 8.362 0.030 A 7 THR HA H 1 4.847 0.030 A 7 THR HB H 1 4.110 0.030 A 7 THR HG2% H 1 1.259 0.030 A 7 THR C C 13 172.748 0.450 A 7 THR CA C 13 59.436 0.450 A 7 THR CB C 13 69.938 0.450 A 7 THR CG2 C 13 21.529 0.450 A 7 THR N N 15 117.885 0.450 A 8 PRO HA H 1 4.060 0.030 A 8 PRO HBy H 1 2.213 0.030 A 8 PRO HBx H 1 1.939 0.030 A 8 PRO HDy H 1 3.639 0.030 A 8 PRO HDx H 1 3.608 0.030 A 8 PRO HGy H 1 2.137 0.030 A 8 PRO HGx H 1 1.707 0.030 A 8 PRO C C 13 177.966 0.450 A 8 PRO CA C 13 63.484 0.450 A 8 PRO CB C 13 30.986 0.450 A 8 PRO CD C 13 50.933 0.450 A 8 PRO CG C 13 27.888 0.450 A 9 GLY H H 1 9.824 0.030 A 9 GLY HAy H 1 4.347 0.030 A 9 GLY HAx H 1 3.467 0.030 A 9 GLY C C 13 174.870 0.450 A 9 GLY CA C 13 45.147 0.450 A 9 GLY N N 15 114.800 0.450 A 10 GLY H H 1 8.172 0.030 A 10 GLY HAy H 1 4.284 0.030 A 10 GLY HAx H 1 3.644 0.030 A 10 GLY C C 13 171.924 0.450 A 10 GLY CA C 13 43.913 0.450 A 10 GLY N N 15 109.721 0.450 A 11 ASP H H 1 8.442 0.030 A 11 ASP HA H 1 5.316 0.030 A 11 ASP HB2 H 1 2.464 0.030 A 11 ASP HB3 H 1 2.464 0.030 A 11 ASP C C 13 176.185 0.450 A 11 ASP CA C 13 53.404 0.450 A 11 ASP CB C 13 41.309 0.450 A 11 ASP N N 15 119.275 0.450 A 12 LEU H H 1 8.889 0.030 A 12 LEU HA H 1 4.426 0.030 A 12 LEU HBy H 1 1.442 0.030 A 12 LEU HBx H 1 1.216 0.030 A 12 LEU HD1% H 1 0.570 0.030 A 12 LEU HD2% H 1 0.447 0.030 A 12 LEU HG H 1 1.167 0.030 A 12 LEU C C 13 174.934 0.450 A 12 LEU CA C 13 53.697 0.450 A 12 LEU CB C 13 44.170 0.450 A 12 LEU CD1 C 13 24.327 0.450 A 12 LEU CD2 C 13 25.080 0.450 A 12 LEU CG C 13 26.986 0.450 A 12 LEU N N 15 125.431 0.450 A 13 GLU H H 1 8.469 0.030 A 13 GLU HA H 1 4.901 0.030 A 13 GLU HBy H 1 1.825 0.030 A 13 GLU HBx H 1 1.667 0.030 A 13 GLU HGy H 1 1.822 0.030 A 13 GLU HGx H 1 1.753 0.030 A 13 GLU C C 13 173.555 0.450 A 13 GLU CA C 13 55.168 0.450 A 13 GLU CB C 13 32.489 0.450 A 13 GLU CG C 13 37.431 0.450 A 13 GLU N N 15 126.203 0.450 A 14 LEU H H 1 9.082 0.030 A 14 LEU HA H 1 4.222 0.030 A 14 LEU HBy H 1 1.390 0.030 A 14 LEU HBx H 1 -0.155 0.030 A 14 LEU HD1% H 1 0.028 0.030 A 14 LEU HD2% H 1 0.246 0.030 A 14 LEU HG H 1 0.903 0.030 A 14 LEU C C 13 174.221 0.450 A 14 LEU CA C 13 52.900 0.450 A 14 LEU CB C 13 40.861 0.450 A 14 LEU CD1 C 13 25.293 0.450 A 14 LEU CD2 C 13 22.514 0.450 A 14 LEU CG C 13 25.591 0.450 A 14 LEU N N 15 127.480 0.450 A 15 VAL H H 1 8.105 0.030 A 15 VAL HA H 1 4.761 0.030 A 15 VAL HB H 1 1.962 0.030 A 15 VAL HG1% H 1 0.715 0.030 A 15 VAL HG2% H 1 0.855 0.030 A 15 VAL C C 13 175.330 0.450 A 15 VAL CA C 13 61.468 0.450 A 15 VAL CB C 13 33.749 0.450 A 15 VAL CG1 C 13 21.008 0.450 A 15 VAL CG2 C 13 21.197 0.450 A 15 VAL N N 15 122.038 0.450 A 16 VAL H H 1 9.335 0.030 A 16 VAL HA H 1 4.285 0.030 A 16 VAL HB H 1 2.082 0.030 A 16 VAL HG1% H 1 0.848 0.030 A 16 VAL HG2% H 1 1.115 0.030 A 16 VAL C C 13 173.555 0.450 A 16 VAL CA C 13 61.020 0.450 A 16 VAL CB C 13 35.604 0.450 A 16 VAL CG1 C 13 21.098 0.450 A 16 VAL CG2 C 13 22.750 0.450 A 16 VAL N N 15 127.741 0.450 A 17 HIS H H 1 8.710 0.030 A 17 HIS HA H 1 5.023 0.030 A 17 HIS HBy H 1 3.013 0.030 A 17 HIS HBx H 1 2.929 0.030 A 17 HIS HD2 H 1 6.889 0.030 A 17 HIS HE1 H 1 7.646 0.030 A 17 HIS C C 13 175.710 0.450 A 17 HIS CA C 13 55.225 0.450 A 17 HIS CB C 13 30.418 0.450 A 17 HIS CD2 C 13 119.418 0.450 A 17 HIS CE1 C 13 138.053 0.450 A 17 HIS N N 15 126.695 0.450 A 18 LEU H H 1 8.941 0.030 A 18 LEU HA H 1 4.311 0.030 A 18 LEU HBy H 1 1.949 0.030 A 18 LEU HBx H 1 1.615 0.030 A 18 LEU HD1% H 1 0.873 0.030 A 18 LEU HD2% H 1 0.671 0.030 A 18 LEU HG H 1 1.681 0.030 A 18 LEU C C 13 177.357 0.450 A 18 LEU CA C 13 54.162 0.450 A 18 LEU CB C 13 43.005 0.450 A 18 LEU CD1 C 13 26.325 0.450 A 18 LEU CD2 C 13 22.440 0.450 A 18 LEU CG C 13 26.705 0.450 A 18 LEU N N 15 124.981 0.450 A 19 SER H H 1 9.513 0.030 A 19 SER HA H 1 4.280 0.030 A 19 SER HB2 H 1 3.929 0.030 A 19 SER HB3 H 1 3.929 0.030 A 19 SER C C 13 174.348 0.450 A 19 SER CA C 13 59.696 0.450 A 19 SER CB C 13 63.364 0.450 A 19 SER N N 15 116.428 0.450 A 20 GLY H H 1 7.532 0.030 A 20 GLY HAy H 1 4.200 0.030 A 20 GLY HAx H 1 3.993 0.030 A 20 GLY C C 13 171.306 0.450 A 20 GLY CA C 13 44.193 0.450 A 20 GLY N N 15 107.975 0.450 A 21 PRO HA H 1 4.363 0.030 A 21 PRO HBy H 1 2.192 0.030 A 21 PRO HBx H 1 2.001 0.030 A 21 PRO HDx H 1 3.537 0.030 A 21 PRO HDy H 1 3.606 0.030 A 21 PRO HG2 H 1 1.990 0.030 A 21 PRO HG3 H 1 1.990 0.030 A 21 PRO C C 13 177.141 0.450 A 21 PRO CA C 13 63.096 0.450 A 21 PRO CB C 13 32.105 0.450 A 21 PRO CD C 13 49.323 0.450 A 21 PRO CG C 13 26.707 0.450 A 22 GLY H H 1 8.264 0.030 A 22 GLY HAy H 1 3.908 0.030 A 22 GLY HAx H 1 3.800 0.030 A 22 GLY C C 13 173.270 0.450 A 22 GLY CA C 13 45.013 0.450 A 22 GLY N N 15 107.827 0.450 A 23 GLY H H 1 7.797 0.030 A 23 GLY HA3 H 1 3.948 0.030 A 23 GLY C C 13 170.292 0.450 A 23 GLY CA C 13 43.573 0.450 A 23 GLY N N 15 108.700 0.450 A 24 PRO HA H 1 4.574 0.030 A 24 PRO HBy H 1 2.419 0.030 A 24 PRO HBx H 1 1.881 0.030 A 24 PRO HDy H 1 3.590 0.030 A 24 PRO HDx H 1 3.511 0.030 A 24 PRO HG2 H 1 1.921 0.030 A 24 PRO HG3 H 1 1.921 0.030 A 24 PRO C C 13 175.331 0.450 A 24 PRO CA C 13 62.105 0.450 A 24 PRO CB C 13 34.842 0.450 A 24 PRO CD C 13 50.477 0.450 A 24 PRO CG C 13 24.706 0.450 A 25 VAL H H 1 8.579 0.030 A 25 VAL HA H 1 4.662 0.030 A 25 VAL HB H 1 1.808 0.030 A 25 VAL HG1% H 1 0.571 0.030 A 25 VAL HG2% H 1 0.813 0.030 A 25 VAL C C 13 175.742 0.450 A 25 VAL CA C 13 61.384 0.450 A 25 VAL CB C 13 32.971 0.450 A 25 VAL CG1 C 13 21.633 0.450 A 25 VAL CG2 C 13 21.236 0.450 A 25 VAL N N 15 121.565 0.450 A 26 ARG H H 1 8.856 0.030 A 26 ARG HA H 1 4.582 0.030 A 26 ARG HBy H 1 1.924 0.030 A 26 ARG HBx H 1 1.435 0.030 A 26 ARG HD2 H 1 3.204 0.030 A 26 ARG HD3 H 1 3.204 0.030 A 26 ARG HG2 H 1 1.526 0.030 A 26 ARG HG3 H 1 1.526 0.030 A 26 ARG C C 13 173.144 0.450 A 26 ARG CA C 13 54.861 0.450 A 26 ARG CB C 13 34.589 0.450 A 26 ARG CD C 13 43.475 0.450 A 26 ARG CG C 13 28.018 0.450 A 26 ARG N N 15 127.876 0.450 A 27 TRP H H 1 8.858 0.030 A 27 TRP HA H 1 5.986 0.030 A 27 TRP HBy H 1 3.071 0.030 A 27 TRP HBx H 1 2.834 0.030 A 27 TRP HD1 H 1 7.097 0.030 A 27 TRP HE1 H 1 10.302 0.030 A 27 TRP HE3 H 1 7.428 0.030 A 27 TRP HH2 H 1 6.670 0.030 A 27 TRP HZ2 H 1 6.993 0.030 A 27 TRP HZ3 H 1 6.700 0.030 A 27 TRP C C 13 175.932 0.450 A 27 TRP CA C 13 55.504 0.450 A 27 TRP CB C 13 32.584 0.450 A 27 TRP CD1 C 13 127.194 0.450 A 27 TRP CE3 C 13 120.314 0.450 A 27 TRP CH2 C 13 124.608 0.450 A 27 TRP CZ2 C 13 114.673 0.450 A 27 TRP CZ3 C 13 120.850 0.450 A 27 TRP N N 15 121.571 0.450 A 27 TRP NE1 N 15 129.046 0.450 A 28 TYR H H 1 9.605 0.030 A 28 TYR HA H 1 5.332 0.030 A 28 TYR HB2 H 1 2.932 0.030 A 28 TYR HB3 H 1 2.478 0.030 A 28 TYR HD1 H 1 6.782 0.030 A 28 TYR HD2 H 1 6.782 0.030 A 28 TYR HE1 H 1 6.735 0.030 A 28 TYR HE2 H 1 6.735 0.030 A 28 TYR C C 13 175.108 0.450 A 28 TYR CA C 13 55.924 0.450 A 28 TYR CB C 13 43.194 0.450 A 28 TYR CD2 C 13 133.001 0.450 A 28 TYR CE2 C 13 118.041 0.450 A 28 TYR N N 15 118.451 0.450 A 29 LYS H H 1 9.055 0.030 A 29 LYS HA H 1 4.790 0.030 A 29 LYS HB2 H 1 1.271 0.030 A 29 LYS HB3 H 1 1.600 0.030 A 29 LYS HDy H 1 1.352 0.030 A 29 LYS HDx H 1 1.246 0.030 A 29 LYS HEy H 1 3.021 0.030 A 29 LYS HEx H 1 2.408 0.030 A 29 LYS HGy H 1 0.684 0.030 A 29 LYS HGx H 1 0.150 0.030 A 29 LYS C C 13 176.565 0.450 A 29 LYS CA C 13 54.496 0.450 A 29 LYS CB C 13 35.345 0.450 A 29 LYS CD C 13 28.809 0.450 A 29 LYS CE C 13 43.439 0.450 A 29 LYS CG C 13 25.262 0.450 A 29 LYS N N 15 120.638 0.450 A 30 ASP H H 1 10.006 0.030 A 30 ASP HA H 1 4.446 0.030 A 30 ASP HBy H 1 2.885 0.030 A 30 ASP HBx H 1 2.694 0.030 A 30 ASP C C 13 176.344 0.450 A 30 ASP CA C 13 55.846 0.450 A 30 ASP CB C 13 40.289 0.450 A 30 ASP N N 15 131.009 0.450 A 31 GLY H H 1 8.903 0.030 A 31 GLY HAy H 1 4.225 0.030 A 31 GLY HAx H 1 3.532 0.030 A 31 GLY C C 13 173.809 0.450 A 31 GLY CA C 13 45.127 0.450 A 31 GLY N N 15 102.658 0.450 A 32 GLU H H 1 8.152 0.030 A 32 GLU HA H 1 4.742 0.030 A 32 GLU HBy H 1 2.153 0.030 A 32 GLU HBx H 1 2.039 0.030 A 32 GLU HGx H 1 2.211 0.030 A 32 GLU HGy H 1 2.341 0.030 A 32 GLU C C 13 175.789 0.450 A 32 GLU CA C 13 54.496 0.450 A 32 GLU CB C 13 31.161 0.450 A 32 GLU CG C 13 35.745 0.450 A 32 GLU N N 15 121.796 0.450 A 33 ARG H H 1 8.928 0.030 A 33 ARG HA H 1 3.927 0.030 A 33 ARG HB2 H 1 1.695 0.030 A 33 ARG HB3 H 1 1.798 0.030 A 33 ARG HD2 H 1 2.926 0.030 A 33 ARG HD3 H 1 2.926 0.030 A 33 ARG HGy H 1 1.648 0.030 A 33 ARG HGx H 1 1.363 0.030 A 33 ARG C C 13 176.296 0.450 A 33 ARG CA C 13 56.344 0.450 A 33 ARG CB C 13 29.803 0.450 A 33 ARG CD C 13 42.590 0.450 A 33 ARG CG C 13 26.480 0.450 A 33 ARG N N 15 126.589 0.450 A 34 LEU H H 1 8.668 0.030 A 34 LEU HA H 1 4.597 0.030 A 34 LEU HBy H 1 1.553 0.030 A 34 LEU HBx H 1 1.278 0.030 A 34 LEU HD1% H 1 0.592 0.030 A 34 LEU HD2% H 1 0.902 0.030 A 34 LEU HG H 1 0.891 0.030 A 34 LEU C C 13 175.361 0.450 A 34 LEU CA C 13 53.656 0.450 A 34 LEU CB C 13 44.501 0.450 A 34 LEU CD1 C 13 21.942 0.450 A 34 LEU CD2 C 13 23.036 0.450 A 34 LEU CG C 13 26.651 0.450 A 34 LEU N N 15 127.490 0.450 A 35 ALA H H 1 8.177 0.030 A 35 ALA HA H 1 4.549 0.030 A 35 ALA HB% H 1 1.315 0.030 A 35 ALA C C 13 175.757 0.450 A 35 ALA CA C 13 50.039 0.450 A 35 ALA CB C 13 21.822 0.450 A 35 ALA N N 15 124.016 0.450 A 36 SER H H 1 8.444 0.030 A 36 SER HA H 1 4.440 0.030 A 36 SER HBy H 1 4.148 0.030 A 36 SER HBx H 1 3.663 0.030 A 36 SER C C 13 174.005 0.450 A 36 SER CA C 13 57.610 0.450 A 36 SER CB C 13 62.056 0.450 A 36 SER N N 15 114.574 0.450 A 37 GLN H H 1 8.477 0.030 A 37 GLN HA H 1 4.452 0.030 A 37 GLN HBy H 1 2.116 0.030 A 37 GLN HBx H 1 2.051 0.030 A 37 GLN HE2y H 1 7.755 0.030 A 37 GLN HE2x H 1 6.844 0.030 A 37 GLN HG2 H 1 2.264 0.030 A 37 GLN HG3 H 1 2.264 0.030 A 37 GLN C C 13 175.599 0.450 A 37 GLN CA C 13 55.433 0.450 A 37 GLN CB C 13 29.970 0.450 A 37 GLN CG C 13 32.857 0.450 A 37 GLN N N 15 126.057 0.450 A 37 GLN NE2 N 15 111.094 0.450 A 39 ARG HA H 1 4.228 0.030 A 39 ARG HBy H 1 2.049 0.030 A 39 ARG HBx H 1 1.961 0.030 A 39 ARG HD2 H 1 3.295 0.030 A 39 ARG HD3 H 1 3.295 0.030 A 39 ARG HE H 1 7.173 0.030 A 39 ARG HG2 H 1 1.644 0.030 A 39 ARG HG3 H 1 1.644 0.030 A 39 ARG C C 13 174.776 0.450 A 39 ARG CA C 13 57.143 0.450 A 39 ARG CB C 13 30.504 0.450 A 39 ARG CD C 13 42.802 0.450 A 39 ARG CG C 13 28.387 0.450 A 39 ARG NE N 15 82.155 0.450 A 40 VAL H H 1 7.662 0.030 A 40 VAL HA H 1 4.602 0.030 A 40 VAL HB H 1 2.275 0.030 A 40 VAL HG1% H 1 0.692 0.030 A 40 VAL HG2% H 1 0.979 0.030 A 40 VAL C C 13 174.854 0.450 A 40 VAL CA C 13 61.663 0.450 A 40 VAL CB C 13 32.800 0.450 A 40 VAL CG1 C 13 21.359 0.450 A 40 VAL CG2 C 13 21.348 0.450 A 40 VAL N N 15 119.931 0.450 A 41 GLN H H 1 8.937 0.030 A 41 GLN HA H 1 4.531 0.030 A 41 GLN HBy H 1 1.884 0.030 A 41 GLN HBx H 1 1.744 0.030 A 41 GLN HE2y H 1 7.416 0.030 A 41 GLN HE2x H 1 6.689 0.030 A 41 GLN HGy H 1 2.154 0.030 A 41 GLN HGx H 1 2.100 0.030 A 41 GLN C C 13 173.952 0.450 A 41 GLN CA C 13 53.656 0.450 A 41 GLN CB C 13 31.817 0.450 A 41 GLN CG C 13 33.526 0.450 A 41 GLN N N 15 125.689 0.450 A 41 GLN NE2 N 15 111.968 0.450 A 42 LEU H H 1 8.231 0.030 A 42 LEU HA H 1 4.984 0.030 A 42 LEU HBy H 1 1.613 0.030 A 42 LEU HBx H 1 1.281 0.030 A 42 LEU HD1% H 1 0.686 0.030 A 42 LEU HD2% H 1 0.271 0.030 A 42 LEU HG H 1 1.219 0.030 A 42 LEU C C 13 176.565 0.450 A 42 LEU CA C 13 52.931 0.450 A 42 LEU CB C 13 42.474 0.450 A 42 LEU CD1 C 13 24.877 0.450 A 42 LEU CD2 C 13 23.570 0.450 A 42 LEU CG C 13 27.322 0.450 A 42 LEU N N 15 123.562 0.450 A 43 GLU H H 1 9.309 0.030 A 43 GLU HA H 1 4.656 0.030 A 43 GLU HBx H 1 1.781 0.030 A 43 GLU HBy H 1 1.910 0.030 A 43 GLU HGy H 1 2.038 0.030 A 43 GLU HGx H 1 1.966 0.030 A 43 GLU C C 13 175.346 0.450 A 43 GLU CA C 13 54.723 0.450 A 43 GLU CB C 13 32.841 0.450 A 43 GLU CG C 13 35.788 0.450 A 43 GLU N N 15 124.016 0.450 A 44 GLN H H 1 8.825 0.030 A 44 GLN HA H 1 4.928 0.030 A 44 GLN HB2 H 1 2.146 0.030 A 44 GLN HB3 H 1 2.146 0.030 A 44 GLN HE2y H 1 7.773 0.030 A 44 GLN HE2x H 1 6.920 0.030 A 44 GLN HGy H 1 2.484 0.030 A 44 GLN HGx H 1 2.390 0.030 A 44 GLN C C 13 174.332 0.450 A 44 GLN CA C 13 54.832 0.450 A 44 GLN CB C 13 30.726 0.450 A 44 GLN CG C 13 33.517 0.450 A 44 GLN N N 15 125.220 0.450 A 44 GLN NE2 N 15 111.515 0.450 A 45 ALA H H 1 8.636 0.030 A 45 ALA HA H 1 4.672 0.030 A 45 ALA HB% H 1 1.264 0.030 A 45 ALA C C 13 177.056 0.450 A 45 ALA CA C 13 50.716 0.450 A 45 ALA CB C 13 18.798 0.450 A 45 ALA N N 15 129.999 0.450 A 46 GLY HAy H 1 3.997 0.030 A 46 GLY HAx H 1 3.601 0.030 A 46 GLY CA C 13 46.885 0.450 A 47 ALA HA H 1 4.183 0.030 A 47 ALA HB% H 1 1.438 0.030 A 47 ALA C C 13 176.586 0.450 A 47 ALA CA C 13 53.068 0.450 A 47 ALA CB C 13 18.714 0.450 A 48 ARG H H 1 7.725 0.030 A 48 ARG HA H 1 4.635 0.030 A 48 ARG HBy H 1 1.864 0.030 A 48 ARG HBx H 1 1.627 0.030 A 48 ARG HD2 H 1 3.133 0.030 A 48 ARG HD3 H 1 3.133 0.030 A 48 ARG HG2 H 1 1.151 0.030 A 48 ARG HG3 H 1 1.151 0.030 A 48 ARG C C 13 174.348 0.450 A 48 ARG CA C 13 55.672 0.450 A 48 ARG CB C 13 31.413 0.450 A 48 ARG CD C 13 43.512 0.450 A 48 ARG CG C 13 28.016 0.450 A 48 ARG N N 15 119.282 0.450 A 49 GLN H H 1 9.086 0.030 A 49 GLN HA H 1 4.961 0.030 A 49 GLN HBy H 1 2.554 0.030 A 49 GLN HBx H 1 2.046 0.030 A 49 GLN HE2y H 1 6.818 0.030 A 49 GLN HE2x H 1 6.649 0.030 A 49 GLN HGy H 1 2.355 0.030 A 49 GLN HGx H 1 2.103 0.030 A 49 GLN C C 13 174.427 0.450 A 49 GLN CA C 13 53.404 0.450 A 49 GLN CB C 13 30.133 0.450 A 49 GLN CG C 13 33.144 0.450 A 49 GLN N N 15 125.499 0.450 A 49 GLN NE2 N 15 112.261 0.450 A 50 VAL H H 1 8.687 0.030 A 50 VAL HA H 1 5.185 0.030 A 50 VAL HB H 1 1.785 0.030 A 50 VAL HG1% H 1 0.644 0.030 A 50 VAL HG2% H 1 0.799 0.030 A 50 VAL C C 13 173.714 0.450 A 50 VAL CA C 13 60.314 0.450 A 50 VAL CB C 13 36.154 0.450 A 50 VAL CG1 C 13 21.411 0.450 A 50 VAL CG2 C 13 21.493 0.450 A 50 VAL N N 15 121.957 0.450 A 51 LEU H H 1 8.380 0.030 A 51 LEU HA H 1 4.389 0.030 A 51 LEU HBy H 1 0.295 0.030 A 51 LEU HBx H 1 -0.762 0.030 A 51 LEU HD1% H 1 0.758 0.030 A 51 LEU HD2% H 1 0.146 0.030 A 51 LEU HG H 1 0.164 0.030 A 51 LEU C C 13 174.427 0.450 A 51 LEU CA C 13 53.536 0.450 A 51 LEU CB C 13 42.056 0.450 A 51 LEU CD1 C 13 26.874 0.450 A 51 LEU CD2 C 13 24.909 0.450 A 51 LEU CG C 13 27.342 0.450 A 51 LEU N N 15 129.580 0.450 A 52 ARG H H 1 8.956 0.030 A 52 ARG HA H 1 5.255 0.030 A 52 ARG HBy H 1 1.587 0.030 A 52 ARG HBx H 1 1.421 0.030 A 52 ARG HD2 H 1 3.027 0.030 A 52 ARG HD3 H 1 3.027 0.030 A 52 ARG HE H 1 7.543 0.030 A 52 ARG HGy H 1 1.388 0.030 A 52 ARG HGx H 1 1.238 0.030 A 52 ARG C C 13 174.981 0.450 A 52 ARG CA C 13 53.992 0.450 A 52 ARG CB C 13 33.497 0.450 A 52 ARG CD C 13 42.819 0.450 A 52 ARG CG C 13 28.901 0.450 A 52 ARG N N 15 125.706 0.450 A 52 ARG NE N 15 84.811 0.450 A 53 VAL H H 1 8.511 0.030 A 53 VAL HA H 1 4.619 0.030 A 53 VAL HB H 1 1.725 0.030 A 53 VAL HG1% H 1 0.665 0.030 A 53 VAL HG2% H 1 0.742 0.030 A 53 VAL C C 13 175.124 0.450 A 53 VAL CA C 13 61.092 0.450 A 53 VAL CB C 13 34.527 0.450 A 53 VAL CG1 C 13 20.728 0.450 A 53 VAL CG2 C 13 20.779 0.450 A 53 VAL N N 15 123.212 0.450 A 54 GLN H H 1 8.509 0.030 A 54 GLN HA H 1 4.518 0.030 A 54 GLN HBx H 1 1.891 0.030 A 54 GLN HBy H 1 1.961 0.030 A 54 GLN HE2y H 1 7.533 0.030 A 54 GLN HE2x H 1 6.696 0.030 A 54 GLN HGx H 1 2.141 0.030 A 54 GLN HGy H 1 2.313 0.030 A 54 GLN C C 13 176.296 0.450 A 54 GLN CA C 13 55.022 0.450 A 54 GLN CB C 13 29.749 0.450 A 54 GLN CG C 13 34.212 0.450 A 54 GLN N N 15 126.653 0.450 A 54 GLN NE2 N 15 111.713 0.450 A 55 GLY H H 1 8.420 0.030 A 55 GLY HAy H 1 3.654 0.030 A 55 GLY HAx H 1 3.478 0.030 A 55 GLY C C 13 174.585 0.450 A 55 GLY CA C 13 47.319 0.450 A 55 GLY N N 15 114.559 0.450 A 56 ALA H H 1 8.977 0.030 A 56 ALA HA H 1 4.088 0.030 A 56 ALA HB% H 1 1.168 0.030 A 56 ALA C C 13 177.120 0.450 A 56 ALA CA C 13 53.051 0.450 A 56 ALA CB C 13 18.051 0.450 A 56 ALA N N 15 122.793 0.450 A 57 ARG H H 1 9.709 0.030 A 57 ARG HA H 1 4.751 0.030 A 57 ARG HBy H 1 2.000 0.030 A 57 ARG HBx H 1 1.772 0.030 A 57 ARG HD2 H 1 3.124 0.030 A 57 ARG HD3 H 1 3.124 0.030 A 57 ARG HG2 H 1 1.724 0.030 A 57 ARG HG3 H 1 1.724 0.030 A 57 ARG C C 13 177.231 0.450 A 57 ARG CA C 13 53.236 0.450 A 57 ARG CB C 13 33.526 0.450 A 57 ARG CD C 13 43.594 0.450 A 57 ARG CG C 13 25.603 0.450 A 57 ARG N N 15 122.118 0.450 A 59 GLY HAy H 1 4.077 0.030 A 59 GLY HAx H 1 3.829 0.030 A 59 GLY C C 13 174.202 0.450 A 59 GLY CA C 13 45.899 0.450 A 60 ASP H H 1 8.300 0.030 A 60 ASP HA H 1 4.671 0.030 A 60 ASP HBy H 1 2.831 0.030 A 60 ASP HBx H 1 2.574 0.030 A 60 ASP C C 13 176.692 0.450 A 60 ASP CA C 13 54.854 0.450 A 60 ASP CB C 13 41.130 0.450 A 60 ASP N N 15 116.489 0.450 A 61 ALA H H 1 7.551 0.030 A 61 ALA HA H 1 4.105 0.030 A 61 ALA HB% H 1 1.675 0.030 A 61 ALA C C 13 176.581 0.450 A 61 ALA CA C 13 52.732 0.450 A 61 ALA CB C 13 19.806 0.450 A 61 ALA N N 15 122.793 0.450 A 62 GLY H H 1 8.720 0.030 A 62 GLY HAy H 1 4.734 0.030 A 62 GLY HAx H 1 3.972 0.030 A 62 GLY C C 13 171.274 0.450 A 62 GLY CA C 13 44.826 0.450 A 62 GLY N N 15 108.029 0.450 A 63 GLU H H 1 9.038 0.030 A 63 GLU HA H 1 5.134 0.030 A 63 GLU HB2 H 1 2.090 0.030 A 63 GLU HB3 H 1 1.967 0.030 A 63 GLU HGy H 1 2.194 0.030 A 63 GLU HGx H 1 1.910 0.030 A 63 GLU C C 13 175.900 0.450 A 63 GLU CA C 13 55.309 0.450 A 63 GLU CB C 13 31.183 0.450 A 63 GLU CG C 13 37.582 0.450 A 63 GLU N N 15 122.343 0.450 A 64 TYR H H 1 9.984 0.030 A 64 TYR HA H 1 5.769 0.030 A 64 TYR HBy H 1 3.359 0.030 A 64 TYR HBx H 1 2.842 0.030 A 64 TYR HD1 H 1 7.037 0.030 A 64 TYR HD2 H 1 7.037 0.030 A 64 TYR HE1 H 1 6.558 0.030 A 64 TYR HE2 H 1 6.558 0.030 A 64 TYR C C 13 174.157 0.450 A 64 TYR CA C 13 56.596 0.450 A 64 TYR CB C 13 40.857 0.450 A 64 TYR CD2 C 13 133.521 0.450 A 64 TYR CE2 C 13 116.101 0.450 A 64 TYR N N 15 128.776 0.450 A 65 LEU H H 1 9.385 0.030 A 65 LEU HA H 1 5.360 0.030 A 65 LEU HB2 H 1 1.563 0.030 A 65 LEU HB3 H 1 1.835 0.030 A 65 LEU HD1% H 1 0.773 0.030 A 65 LEU HD2% H 1 0.628 0.030 A 65 LEU HG H 1 1.358 0.030 A 65 LEU C C 13 174.617 0.450 A 65 LEU CA C 13 53.294 0.450 A 65 LEU CB C 13 46.296 0.450 A 65 LEU CD1 C 13 23.336 0.450 A 65 LEU CD2 C 13 25.857 0.450 A 65 LEU CG C 13 28.190 0.450 A 65 LEU N N 15 125.560 0.450 A 66 CYS H H 1 9.102 0.030 A 66 CYS HA H 1 3.994 0.030 A 66 CYS HBx H 1 0.776 0.030 A 66 CYS HBy H 1 2.036 0.030 A 66 CYS C C 13 172.383 0.450 A 66 CYS CA C 13 57.828 0.450 A 66 CYS CB C 13 26.535 0.450 A 66 CYS N N 15 127.135 0.450 A 67 ASP H H 1 9.296 0.030 A 67 ASP HA H 1 4.953 0.030 A 67 ASP HB2 H 1 3.007 0.030 A 67 ASP HB3 H 1 2.339 0.030 A 67 ASP C C 13 173.128 0.450 A 67 ASP CA C 13 53.459 0.450 A 67 ASP CB C 13 44.249 0.450 A 67 ASP N N 15 129.420 0.450 A 68 ALA H H 1 8.179 0.030 A 68 ALA HA H 1 5.054 0.030 A 68 ALA HB% H 1 1.404 0.030 A 68 ALA C C 13 175.108 0.450 A 68 ALA CA C 13 49.404 0.450 A 68 ALA CB C 13 21.402 0.450 A 68 ALA N N 15 129.162 0.450 A 69 PRO HA H 1 4.165 0.030 A 69 PRO HBy H 1 2.322 0.030 A 69 PRO HBx H 1 1.781 0.030 A 69 PRO HDy H 1 3.812 0.030 A 69 PRO HDx H 1 3.381 0.030 A 69 PRO HGy H 1 1.888 0.030 A 69 PRO HGx H 1 1.787 0.030 A 69 PRO C C 13 177.840 0.450 A 69 PRO CA C 13 65.906 0.450 A 69 PRO CB C 13 31.744 0.450 A 69 PRO CD C 13 49.842 0.450 A 69 PRO CG C 13 28.202 0.450 A 70 GLN H H 1 9.053 0.030 A 70 GLN HA H 1 4.363 0.030 A 70 GLN HBy H 1 2.245 0.030 A 70 GLN HBx H 1 1.961 0.030 A 70 GLN HE2y H 1 7.459 0.030 A 70 GLN HE2x H 1 6.798 0.030 A 70 GLN HG2 H 1 2.246 0.030 A 70 GLN HG3 H 1 2.246 0.030 A 70 GLN C C 13 174.744 0.450 A 70 GLN CA C 13 55.239 0.450 A 70 GLN CB C 13 29.355 0.450 A 70 GLN CG C 13 33.980 0.450 A 70 GLN N N 15 113.851 0.450 A 70 GLN NE2 N 15 111.643 0.450 A 71 ASP H H 1 7.336 0.030 A 71 ASP HA H 1 4.824 0.030 A 71 ASP HB2 H 1 2.461 0.030 A 71 ASP HB3 H 1 2.461 0.030 A 71 ASP C C 13 173.017 0.450 A 71 ASP CA C 13 53.992 0.450 A 71 ASP CB C 13 44.449 0.450 A 71 ASP N N 15 118.081 0.450 A 72 SER H H 1 8.161 0.030 A 72 SER HA H 1 5.209 0.030 A 72 SER HBy H 1 3.912 0.030 A 72 SER HBx H 1 3.776 0.030 A 72 SER C C 13 174.189 0.450 A 72 SER CA C 13 57.604 0.450 A 72 SER CB C 13 64.697 0.450 A 72 SER N N 15 114.356 0.450 A 73 ARG H H 1 8.592 0.030 A 73 ARG HA H 1 4.696 0.030 A 73 ARG HB2 H 1 1.543 0.030 A 73 ARG HB3 H 1 1.543 0.030 A 73 ARG HDy H 1 3.195 0.030 A 73 ARG HDx H 1 3.025 0.030 A 73 ARG HG2 H 1 1.265 0.030 A 73 ARG HG3 H 1 1.265 0.030 A 73 ARG C C 13 173.460 0.450 A 73 ARG CA C 13 53.404 0.450 A 73 ARG CB C 13 33.600 0.450 A 73 ARG CD C 13 42.366 0.450 A 73 ARG CG C 13 26.555 0.450 A 73 ARG N N 15 122.793 0.450 A 74 ILE H H 1 8.262 0.030 A 74 ILE HA H 1 5.154 0.030 A 74 ILE HB H 1 1.521 0.030 A 74 ILE HD1% H 1 0.800 0.030 A 74 ILE HG1y H 1 1.483 0.030 A 74 ILE HG1x H 1 0.994 0.030 A 74 ILE HG2% H 1 0.886 0.030 A 74 ILE C C 13 175.266 0.450 A 74 ILE CA C 13 59.620 0.450 A 74 ILE CB C 13 40.889 0.450 A 74 ILE CD1 C 13 13.682 0.450 A 74 ILE CG1 C 13 28.593 0.450 A 74 ILE CG2 C 13 18.229 0.450 A 74 ILE N N 15 122.343 0.450 A 75 PHE H H 1 9.932 0.030 A 75 PHE HA H 1 5.524 0.030 A 75 PHE HB2 H 1 2.755 0.030 A 75 PHE HB3 H 1 3.143 0.030 A 75 PHE HD1 H 1 7.190 0.030 A 75 PHE HD2 H 1 7.190 0.030 A 75 PHE HE1 H 1 7.258 0.030 A 75 PHE HE2 H 1 7.258 0.030 A 75 PHE HZ H 1 7.278 0.030 A 75 PHE C C 13 174.680 0.450 A 75 PHE CA C 13 55.570 0.450 A 75 PHE CB C 13 42.186 0.450 A 75 PHE CD2 C 13 132.901 0.450 A 75 PHE CE2 C 13 130.683 0.450 A 75 PHE CZ C 13 129.814 0.450 A 75 PHE N N 15 126.428 0.450 A 76 LEU H H 1 9.091 0.030 A 76 LEU HA H 1 5.124 0.030 A 76 LEU HB2 H 1 1.707 0.030 A 76 LEU HB3 H 1 1.707 0.030 A 76 LEU HD1% H 1 0.929 0.030 A 76 LEU HD2% H 1 0.929 0.030 A 76 LEU HG H 1 1.560 0.030 A 76 LEU C C 13 176.138 0.450 A 76 LEU CA C 13 53.799 0.450 A 76 LEU CB C 13 41.851 0.450 A 76 LEU CD1 C 13 27.296 0.450 A 76 LEU CD2 C 13 24.190 0.450 A 76 LEU CG C 13 27.252 0.450 A 76 LEU N N 15 126.068 0.450 A 77 VAL H H 1 9.408 0.030 A 77 VAL HA H 1 5.109 0.030 A 77 VAL HB H 1 2.449 0.030 A 77 VAL HG1% H 1 0.738 0.030 A 77 VAL HG2% H 1 0.844 0.030 A 77 VAL C C 13 176.597 0.450 A 77 VAL CA C 13 61.384 0.450 A 77 VAL CB C 13 33.846 0.450 A 77 VAL CG1 C 13 21.718 0.450 A 77 VAL CG2 C 13 23.078 0.450 A 77 VAL N N 15 129.130 0.450 A 78 SER H H 1 9.125 0.030 A 78 SER HA H 1 4.908 0.030 A 78 SER HB2 H 1 3.849 0.030 A 78 SER HB3 H 1 3.849 0.030 A 78 SER C C 13 172.431 0.450 A 78 SER CA C 13 56.344 0.450 A 78 SER CB C 13 65.164 0.450 A 78 SER N N 15 124.016 0.450 A 79 VAL H H 1 8.638 0.030 A 79 VAL HA H 1 4.535 0.030 A 79 VAL HB H 1 1.825 0.030 A 79 VAL HG1% H 1 0.404 0.030 A 79 VAL HG2% H 1 0.626 0.030 A 79 VAL C C 13 174.744 0.450 A 79 VAL CA C 13 61.028 0.450 A 79 VAL CB C 13 32.741 0.450 A 79 VAL CG1 C 13 19.979 0.450 A 79 VAL CG2 C 13 19.427 0.450 A 79 VAL N N 15 124.402 0.450 A 80 GLU H H 1 8.281 0.030 A 80 GLU HA H 1 4.561 0.030 A 80 GLU HBy H 1 2.116 0.030 A 80 GLU HBx H 1 1.795 0.030 A 80 GLU HG2 H 1 2.148 0.030 A 80 GLU HG3 H 1 2.148 0.030 A 80 GLU C C 13 174.839 0.450 A 80 GLU CA C 13 54.664 0.450 A 80 GLU CB C 13 32.237 0.450 A 80 GLU CG C 13 35.542 0.450 A 80 GLU N N 15 124.145 0.450 A 81 GLU H H 1 8.656 0.030 A 81 GLU HA H 1 4.439 0.030 A 81 GLU HBy H 1 2.129 0.030 A 81 GLU HBx H 1 1.890 0.030 A 81 GLU HGy H 1 2.369 0.030 A 81 GLU HGx H 1 2.325 0.030 A 81 GLU C C 13 173.841 0.450 A 81 GLU CA C 13 54.611 0.450 A 81 GLU CB C 13 29.046 0.450 A 81 GLU CG C 13 36.019 0.450 A 81 GLU N N 15 123.244 0.450 A 82 PRO HA H 1 4.215 0.030 A 82 PRO HBy H 1 1.918 0.030 A 82 PRO HBx H 1 1.859 0.030 A 82 PRO HD2 H 1 3.766 0.030 A 82 PRO HD3 H 1 3.766 0.030 A 82 PRO HGy H 1 2.038 0.030 A 82 PRO HGx H 1 1.964 0.030 A 82 PRO CA C 13 64.552 0.450 A 82 PRO CB C 13 31.641 0.450 A 82 PRO CD C 13 50.264 0.450 A 82 PRO CG C 13 27.088 0.450 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 THR H A 75 PHE HA 1.0 0.0 4.44 2 2 A 2 THR H A 1 MET HA 1.0 0.0 3.53 3 3 A 2 THR H A 2 THR HB 1.0 0.0 4.19 4 4 A 2 THR H A 1 MET HGx 1.0 0.0 5.13 5 5 A 2 THR H A 1 MET HB2 1.0 0.0 4.78 6 5 A 2 THR H A 1 MET HB3 1.0 0.0 4.78 7 6 A 2 THR H A 73 ARG HB2 1.0 0.0 6.00 8 6 A 2 THR H A 73 ARG HB3 1.0 0.0 6.00 9 7 A 2 THR H A 74 ILE HB 1.0 0.0 6.30 10 8 A 2 THR HG2% A 3 ARG H 1.0 0.0 4.88 11 9 A 4 VAL H A 76 LEU H 1.0 0.0 4.78 12 10 A 4 VAL H A 3 ARG HA 1.0 0.0 3.75 13 11 A 4 VAL H A 3 ARG HBy 1.0 0.0 4.40 14 12 A 4 VAL H A 4 VAL HG2% 1.0 0.0 4.34 15 13 A 4 VAL H A 4 VAL HG1% 1.0 0.0 5.44 16 14 A 4 VAL H A 77 VAL HG2% 1.0 0.0 5.68 17 15 A 4 VAL HA A 5 ARG H 1.0 0.0 3.65 18 16 A 33 ARG HA A 34 LEU H 1.0 0.0 3.51 19 17 A 4 VAL HG1% A 5 ARG H 1.0 0.0 4.56 20 18 A 6 SER H A 80 GLU H 1.0 0.0 5.16 21 19 A 6 SER H A 5 ARG HA 1.0 0.0 3.39 22 20 A 6 SER H A 79 VAL HA 1.0 0.0 4.26 23 21 A 6 SER H A 6 SER HBx 1.0 0.0 3.94 24 22 A 6 SER H A 5 ARG HBy 1.0 0.0 5.26 25 23 A 6 SER H A 5 ARG HG2 1.0 0.0 4.80 26 23 A 6 SER H A 5 ARG HG3 1.0 0.0 4.80 27 24 A 6 SER H A 79 VAL HG2% 1.0 0.0 5.04 28 25 A 6 SER H A 79 VAL HG1% 1.0 0.0 5.24 29 26 A 7 THR H A 8 PRO HDy 1.0 0.0 5.70 30 27 A 7 THR H A 8 PRO HDx 1.0 0.0 6.21 31 28 A 6 SER HBx A 7 THR H 1.0 0.0 4.60 32 29 A 7 THR H A 7 THR HG2% 1.0 0.0 4.77 33 30 A 8 PRO HA A 9 GLY H 1.0 0.0 3.54 34 31 A 9 GLY H A 56 ALA HB% 1.0 0.0 4.54 35 32 A 79 VAL HG1% A 9 GLY H 1.0 0.0 5.41 36 33 A 9 GLY H A 10 GLY H 1.0 0.0 4.26 37 34 A 8 PRO HA A 10 GLY H 1.0 0.0 5.63 38 35 A 10 GLY H A 56 ALA HA 1.0 0.0 6.30 39 36 A 56 ALA HB% A 10 GLY H 1.0 0.0 4.47 40 37 A 11 ASP H A 11 ASP HB2 1.0 0.0 3.75 41 37 A 11 ASP H A 11 ASP HB3 1.0 0.0 3.75 42 38 A 12 LEU H A 53 VAL H 1.0 0.0 4.19 43 39 A 12 LEU H A 11 ASP HA 1.0 0.0 3.42 44 40 A 12 LEU H A 11 ASP HB2 1.0 0.0 4.38 45 40 A 11 ASP HB3 A 12 LEU H 1.0 0.0 4.38 46 41 A 12 LEU H A 53 VAL HB 1.0 0.0 4.66 47 42 A 12 LEU H A 12 LEU HBy 1.0 0.0 4.02 48 43 A 12 LEU H A 12 LEU HBx 1.0 0.0 4.30 49 44 A 56 ALA HB% A 12 LEU H 1.0 0.0 4.64 50 45 A 12 LEU HA A 13 GLU H 1.0 0.0 3.32 51 46 A 36 SER HA A 37 GLN H 1.0 0.0 3.58 52 47 A 37 GLN H A 37 GLN HG2 1.0 0.0 4.79 53 47 A 37 GLN H A 37 GLN HG3 1.0 0.0 4.79 54 48 A 37 GLN H A 40 VAL HB 1.0 0.0 4.99 55 49 A 13 GLU H A 13 GLU HBy 1.0 0.0 4.17 56 50 A 12 LEU HBy A 13 GLU H 1.0 0.0 5.39 57 51 A 13 GLU H A 12 LEU HG 1.0 0.0 4.94 58 52 A 4 VAL HG1% A 13 GLU H 1.0 0.0 5.37 59 53 A 13 GLU H A 12 LEU HD1% 1.0 0.0 4.60 60 54 A 14 LEU H A 51 LEU H 1.0 0.0 4.54 61 55 A 14 LEU H A 52 ARG HA 1.0 0.0 5.04 62 56 A 14 LEU H A 13 GLU HA 1.0 0.0 3.44 63 57 A 13 GLU HBy A 14 LEU H 1.0 0.0 5.23 64 58 A 14 LEU H A 13 GLU HGy 1.0 0.0 5.46 65 59 A 65 LEU HG A 66 CYS H 1.0 0.0 5.02 66 60 A 14 LEU H A 14 LEU HG 1.0 0.0 4.23 67 61 A 14 LEU H A 50 VAL HG1% 1.0 0.0 4.85 68 62 A 14 LEU H A 14 LEU HD2% 1.0 0.0 4.82 69 63 A 14 LEU H A 14 LEU HD1% 1.0 0.0 5.31 70 64 A 15 VAL H A 75 PHE HE% 1.0 0.0 4.90 71 65 A 15 VAL H A 14 LEU HA 1.0 0.0 3.38 72 66 A 15 VAL H A 15 VAL HB 1.0 0.0 3.91 73 67 A 15 VAL H A 15 VAL HG2% 1.0 0.0 4.12 74 68 A 14 LEU HD2% A 15 VAL H 1.0 0.0 5.07 75 69 A 15 VAL H A 14 LEU HBx 1.0 0.0 4.98 76 70 A 16 VAL H A 49 GLN H 1.0 0.0 4.57 77 71 A 16 VAL H A 50 VAL HA 1.0 0.0 5.35 78 72 A 16 VAL H A 15 VAL HA 1.0 0.0 3.46 79 73 A 16 VAL H A 16 VAL HB 1.0 0.0 4.01 80 74 A 16 VAL H A 16 VAL HG2% 1.0 0.0 4.65 81 75 A 16 VAL H A 15 VAL HG1% 1.0 0.0 4.25 82 76 A 16 VAL HG2% A 17 HIS H 1.0 0.0 5.48 83 77 A 17 HIS H A 16 VAL HG1% 1.0 0.0 4.69 84 78 A 18 LEU H A 18 LEU HBy 1.0 0.0 4.36 85 79 A 18 LEU H A 18 LEU HG 1.0 0.0 4.27 86 80 A 2 THR HG2% A 18 LEU H 1.0 0.0 4.81 87 81 A 16 VAL HG1% A 18 LEU H 1.0 0.0 5.09 88 82 A 18 LEU HBy A 19 SER H 1.0 0.0 5.40 89 83 A 19 SER H A 18 LEU HBx 1.0 0.0 4.98 90 84 A 19 SER H A 18 LEU HD2% 1.0 0.0 5.59 91 85 A 19 SER H A 20 GLY H 1.0 0.0 5.29 92 86 A 18 LEU HBy A 20 GLY H 1.0 0.0 5.35 93 87 A 18 LEU HBx A 20 GLY H 1.0 0.0 4.78 94 88 A 23 GLY HA3 A 25 VAL H 1.0 0.0 5.13 95 89 A 25 VAL H A 25 VAL HG2% 1.0 0.0 4.97 96 90 A 26 ARG H A 67 ASP HB2 1.0 0.0 5.57 97 91 A 26 ARG H A 26 ARG HG2 1.0 0.0 5.10 98 91 A 26 ARG H A 26 ARG HG3 1.0 0.0 5.10 99 92 A 26 ARG H A 25 VAL HG1% 1.0 0.0 4.77 100 93 A 27 TRP HE1 A 49 GLN HBy 1.0 0.0 4.76 101 94 A 27 TRP HE1 A 49 GLN HBx 1.0 0.0 5.33 102 95 A 27 TRP HE1 A 42 LEU HD1% 1.0 0.0 5.03 103 96 A 25 VAL HG1% A 27 TRP HE1 1.0 0.0 4.84 104 97 A 27 TRP HE1 A 42 LEU HD2% 1.0 0.0 5.20 105 98 A 34 LEU H A 27 TRP H 1.0 0.0 5.05 106 99 A 27 TRP H A 26 ARG HA 1.0 0.0 3.56 107 100 A 27 TRP H A 27 TRP HBx 1.0 0.0 4.09 108 101 A 27 TRP H A 26 ARG HBx 1.0 0.0 4.71 109 102 A 28 TYR H A 65 LEU H 1.0 0.0 4.55 110 103 A 28 TYR H A 27 TRP HA 1.0 0.0 3.71 111 104 A 28 TYR H A 27 TRP HBy 1.0 0.0 4.92 112 105 A 28 TYR HA A 29 LYS H 1.0 0.0 3.59 113 106 A 33 ARG HA A 29 LYS H 1.0 0.0 5.29 114 107 A 29 LYS H A 28 TYR HB2 1.0 0.0 5.13 115 108 A 29 LYS H A 28 TYR HB3 1.0 0.0 4.46 116 109 A 29 LYS H A 32 GLU HBy 1.0 0.0 5.54 117 110 A 29 LYS H A 29 LYS HB2 1.0 0.0 3.98 118 111 A 29 LYS H A 34 LEU HD2% 1.0 0.0 4.83 119 112 A 29 LYS H A 30 ASP H 1.0 0.0 5.26 120 113 A 30 ASP H A 64 TYR HA 1.0 0.0 5.37 121 114 A 30 ASP H A 29 LYS HA 1.0 0.0 3.68 122 115 A 30 ASP H A 63 GLU HB2 1.0 0.0 5.30 123 116 A 30 ASP H A 29 LYS HDx 1.0 0.0 5.38 124 117 A 30 ASP H A 29 LYS HGy 1.0 0.0 4.94 125 118 A 30 ASP H A 29 LYS HGx 1.0 0.0 5.10 126 119 A 30 ASP H A 31 GLY H 1.0 0.0 4.65 127 120 A 29 LYS HA A 31 GLY H 1.0 0.0 5.19 128 121 A 31 GLY H A 30 ASP HBy 1.0 0.0 5.30 129 122 A 28 TYR HB3 A 31 GLY H 1.0 0.0 5.24 130 123 A 29 LYS H A 32 GLU H 1.0 0.0 4.28 131 124 A 31 GLY H A 32 GLU H 1.0 0.0 4.41 132 125 A 28 TYR HB3 A 32 GLU H 1.0 0.0 4.96 133 126 A 32 GLU HBy A 32 GLU H 1.0 0.0 3.99 134 127 A 32 GLU H A 32 GLU HBx 1.0 0.0 3.81 135 128 A 28 TYR HE% A 33 ARG H 1.0 0.0 5.85 136 129 A 33 ARG H A 32 GLU HA 1.0 0.0 3.45 137 130 A 32 GLU HBy A 33 ARG H 1.0 0.0 4.98 138 131 A 33 ARG H A 33 ARG HB3 1.0 0.0 4.02 139 132 A 34 LEU H A 28 TYR HA 1.0 0.0 4.41 140 133 A 34 LEU H A 33 ARG HD2 1.0 0.0 4.80 141 133 A 34 LEU H A 33 ARG HD3 1.0 0.0 4.80 142 134 A 34 LEU H A 33 ARG HGy 1.0 0.0 4.13 143 135 A 34 LEU H A 34 LEU HBy 1.0 0.0 4.16 144 136 A 34 LEU H A 34 LEU HD2% 1.0 0.0 5.51 145 137 A 34 LEU HA A 35 ALA H 1.0 0.0 3.41 146 138 A 34 LEU HBy A 35 ALA H 1.0 0.0 5.01 147 139 A 35 ALA H A 35 ALA HB% 1.0 0.0 3.62 148 140 A 34 LEU HD2% A 35 ALA H 1.0 0.0 4.51 149 141 A 35 ALA H A 40 VAL HG1% 1.0 0.0 5.28 150 142 A 11 ASP HA A 55 GLY H 1.0 0.0 4.03 151 143 A 55 GLY H A 54 GLN HA 1.0 0.0 3.32 152 144 A 55 GLY H A 54 GLN HBy 1.0 0.0 4.64 153 145 A 4 VAL HG2% A 13 GLU H 1.0 0.0 5.50 154 146 A 37 GLN H A 40 VAL HG1% 1.0 0.0 5.00 155 147 A 40 VAL HB A 40 VAL H 1.0 0.0 3.70 156 148 A 40 VAL H A 39 ARG HBx 1.0 0.0 5.43 157 149 A 40 VAL H A 39 ARG HG2 1.0 0.0 5.15 158 149 A 40 VAL H A 39 ARG HG3 1.0 0.0 5.15 159 150 A 40 VAL H A 40 VAL HG2% 1.0 0.0 3.97 160 151 A 40 VAL HG1% A 40 VAL H 1.0 0.0 4.62 161 152 A 25 VAL HG2% A 49 GLN HE2x 1.0 0.0 5.22 162 153 A 53 VAL H A 52 ARG H 1.0 0.0 5.39 163 154 A 41 GLN H A 54 GLN H 1.0 0.0 5.92 164 155 A 41 GLN H A 40 VAL HA 1.0 0.0 3.23 165 156 A 52 ARG H A 51 LEU HA 1.0 0.0 3.42 166 157 A 41 GLN H A 41 GLN HGy 1.0 0.0 5.40 167 158 A 41 GLN H A 41 GLN HGx 1.0 0.0 5.68 168 159 A 41 GLN H A 41 GLN HBx 1.0 0.0 4.35 169 160 A 52 ARG H A 52 ARG HBy 1.0 0.0 4.27 170 161 A 52 ARG H A 52 ARG HBx 1.0 0.0 4.00 171 162 A 40 VAL HG2% A 41 GLN H 1.0 0.0 5.13 172 163 A 40 VAL HG1% A 41 GLN H 1.0 0.0 3.82 173 164 A 52 ARG H A 51 LEU HD2% 1.0 0.0 4.66 174 165 A 25 VAL HG2% A 49 GLN HE2y 1.0 0.0 4.94 175 166 A 36 SER HBy A 42 LEU H 1.0 0.0 5.15 176 167 A 42 LEU H A 36 SER HBx 1.0 0.0 4.67 177 168 A 41 GLN HGy A 42 LEU H 1.0 0.0 5.28 178 169 A 42 LEU H A 41 GLN HBy 1.0 0.0 4.86 179 170 A 42 LEU H A 42 LEU HBy 1.0 0.0 4.12 180 171 A 42 LEU H A 42 LEU HG 1.0 0.0 4.19 181 172 A 40 VAL HG1% A 42 LEU H 1.0 0.0 5.47 182 173 A 42 LEU HD1% A 42 LEU H 1.0 0.0 5.68 183 174 A 43 GLU H A 50 VAL H 1.0 0.0 4.88 184 175 A 43 GLU H A 42 LEU HA 1.0 0.0 3.61 185 176 A 43 GLU H A 43 GLU HBx 1.0 0.0 4.34 186 177 A 43 GLU H A 42 LEU HBx 1.0 0.0 4.91 187 178 A 42 LEU HD1% A 43 GLU H 1.0 0.0 5.99 188 179 A 44 GLN HA A 45 ALA H 1.0 0.0 3.74 189 180 A 45 ALA H A 43 GLU HBy 1.0 0.0 5.46 190 181 A 45 ALA H A 45 ALA HB% 1.0 0.0 4.27 191 182 A 48 ARG H A 48 ARG HBy 1.0 0.0 4.28 192 183 A 48 ARG H A 47 ALA HB% 1.0 0.0 5.20 193 184 A 49 GLN H A 49 GLN HGy 1.0 0.0 5.33 194 185 A 49 GLN H A 48 ARG HG2 1.0 0.0 5.19 195 185 A 49 GLN H A 48 ARG HG3 1.0 0.0 5.19 196 186 A 49 GLN H A 50 VAL HG2% 1.0 0.0 5.38 197 187 A 50 VAL H A 49 GLN HA 1.0 0.0 3.59 198 188 A 49 GLN HBy A 50 VAL H 1.0 0.0 5.24 199 189 A 50 VAL H A 50 VAL HB 1.0 0.0 4.11 200 190 A 50 VAL HG1% A 50 VAL H 1.0 0.0 5.30 201 191 A 51 LEU H A 50 VAL HA 1.0 0.0 3.41 202 192 A 51 LEU H A 50 VAL HB 1.0 0.0 5.19 203 193 A 51 LEU H A 14 LEU HBy 1.0 0.0 4.82 204 194 A 51 LEU H A 50 VAL HG1% 1.0 0.0 4.06 205 195 A 51 LEU H A 51 LEU HBy 1.0 0.0 4.21 206 196 A 52 ARG H A 52 ARG HGx 1.0 0.0 5.08 207 197 A 42 LEU HD2% A 41 GLN H 1.0 0.0 5.33 208 198 A 42 LEU HD2% A 52 ARG H 1.0 0.0 5.82 209 199 A 53 VAL H A 52 ARG HA 1.0 0.0 3.39 210 200 A 53 VAL H A 13 GLU HA 1.0 0.0 5.28 211 201 A 53 VAL H A 53 VAL HB 1.0 0.0 4.15 212 202 A 53 VAL H A 52 ARG HBy 1.0 0.0 5.04 213 203 A 53 VAL H A 12 LEU HBy 1.0 0.0 4.47 214 204 A 53 VAL H A 52 ARG HBx 1.0 0.0 4.97 215 205 A 53 VAL H A 12 LEU HBx 1.0 0.0 5.63 216 206 A 53 VAL H A 12 LEU HG 1.0 0.0 6.12 217 207 A 53 VAL H A 53 VAL HG2% 1.0 0.0 4.51 218 208 A 53 VAL H A 51 LEU HD2% 1.0 0.0 5.27 219 209 A 54 GLN H A 53 VAL HA 1.0 0.0 3.30 220 210 A 54 GLN H A 39 ARG HA 1.0 0.0 5.35 221 211 A 54 GLN H A 54 GLN HGy 1.0 0.0 4.67 222 212 A 54 GLN H A 54 GLN HBx 1.0 0.0 3.69 223 213 A 53 VAL HB A 54 GLN H 1.0 0.0 5.31 224 214 A 54 GLN H A 53 VAL HG1% 1.0 0.0 4.13 225 215 A 55 GLY H A 54 GLN HGx 1.0 0.0 5.38 226 216 A 55 GLY H A 56 ALA H 1.0 0.0 4.22 227 217 A 11 ASP HA A 56 ALA H 1.0 0.0 4.88 228 218 A 56 ALA HB% A 56 ALA H 1.0 0.0 3.41 229 219 A 53 VAL HG1% A 56 ALA H 1.0 0.0 5.52 230 220 A 56 ALA HA A 57 ARG H 1.0 0.0 3.35 231 221 A 57 ARG H A 60 ASP HBy 1.0 0.0 4.42 232 222 A 57 ARG H A 57 ARG HBx 1.0 0.0 4.00 233 223 A 56 ALA HB% A 57 ARG H 1.0 0.0 4.25 234 224 A 79 VAL HG2% A 57 ARG H 1.0 0.0 5.08 235 225 A 57 ARG H A 60 ASP H 1.0 0.0 5.11 236 226 A 60 ASP H A 61 ALA H 1.0 0.0 3.71 237 227 A 60 ASP HBy A 60 ASP H 1.0 0.0 3.91 238 228 A 60 ASP H A 61 ALA HB% 1.0 0.0 4.82 239 229 A 79 VAL HG2% A 60 ASP H 1.0 0.0 4.96 240 230 A 60 ASP HBy A 61 ALA H 1.0 0.0 5.17 241 231 A 61 ALA H A 61 ALA HB% 1.0 0.0 3.35 242 232 A 79 VAL HG2% A 61 ALA H 1.0 0.0 4.44 243 233 A 62 GLY H A 77 VAL H 1.0 0.0 4.53 244 234 A 62 GLY H A 63 GLU HA 1.0 0.0 5.39 245 235 A 62 GLY H A 61 ALA HA 1.0 0.0 3.46 246 236 A 62 GLY H A 29 LYS HEx 1.0 0.0 4.59 247 237 A 62 GLY H A 77 VAL HB 1.0 0.0 4.75 248 238 A 61 ALA HB% A 62 GLY H 1.0 0.0 4.00 249 239 A 62 GLY H A 77 VAL HG1% 1.0 0.0 4.76 250 240 A 30 ASP H A 63 GLU H 1.0 0.0 4.94 251 241 A 63 GLU H A 64 TYR H 1.0 0.0 5.32 252 242 A 62 GLY H A 63 GLU H 1.0 0.0 5.38 253 243 A 63 GLU H A 62 GLY HAy 1.0 0.0 3.64 254 244 A 63 GLU H A 30 ASP HA 1.0 0.0 5.51 255 245 A 63 GLU HB2 A 63 GLU H 1.0 0.0 3.91 256 246 A 63 GLU H A 63 GLU HB3 1.0 0.0 4.03 257 247 A 63 GLU HA A 64 TYR H 1.0 0.0 3.42 258 248 A 64 TYR H A 64 TYR HBy 1.0 0.0 4.37 259 249 A 64 TYR H A 75 PHE HB2 1.0 0.0 5.32 260 250 A 63 GLU HB2 A 64 TYR H 1.0 0.0 5.74 261 251 A 64 TYR H A 63 GLU HB3 1.0 0.0 5.25 262 252 A 77 VAL HG2% A 64 TYR H 1.0 0.0 5.09 263 253 A 66 CYS H A 65 LEU H 1.0 0.0 5.46 264 254 A 65 LEU H A 64 TYR HA 1.0 0.0 3.66 265 255 A 65 LEU H A 64 TYR HBx 1.0 0.0 5.12 266 256 A 65 LEU H A 65 LEU HB2 1.0 0.0 4.18 267 257 A 65 LEU HG A 65 LEU H 1.0 0.0 5.50 268 258 A 70 GLN H A 70 GLN HG2 1.0 0.0 5.71 269 258 A 70 GLN H A 70 GLN HG3 1.0 0.0 5.71 270 259 A 70 GLN H A 69 PRO HGx 1.0 0.0 5.96 271 260 A 70 GLN H A 68 ALA HB% 1.0 0.0 5.53 272 261 A 70 GLN H A 71 ASP H 1.0 0.0 4.49 273 262 A 71 ASP H A 70 GLN HBy 1.0 0.0 6.07 274 263 A 71 ASP H A 70 GLN HG2 1.0 0.0 6.30 275 263 A 70 GLN HG3 A 71 ASP H 1.0 0.0 6.30 276 264 A 68 ALA HB% A 71 ASP H 1.0 0.0 5.20 277 265 A 72 SER H A 71 ASP HB2 1.0 0.0 5.49 278 265 A 71 ASP HB3 A 72 SER H 1.0 0.0 5.49 279 266 A 72 SER HA A 73 ARG H 1.0 0.0 3.73 280 267 A 73 ARG H A 72 SER HBy 1.0 0.0 5.29 281 268 A 73 ARG H A 72 SER HBx 1.0 0.0 5.04 282 269 A 73 ARG H A 66 CYS HBy 1.0 0.0 5.15 283 270 A 73 ARG H A 73 ARG HG2 1.0 0.0 5.33 284 270 A 73 ARG H A 73 ARG HG3 1.0 0.0 5.33 285 271 A 73 ARG H A 65 LEU HD1% 1.0 0.0 4.92 286 272 A 1 MET HA A 74 ILE H 1.0 0.0 4.57 287 273 A 74 ILE H A 73 ARG HA 1.0 0.0 3.60 288 274 A 74 ILE HB A 74 ILE H 1.0 0.0 3.63 289 275 A 74 ILE H A 74 ILE HD1% 1.0 0.0 5.19 290 276 A 65 LEU HA A 75 PHE H 1.0 0.0 5.18 291 277 A 75 PHE H A 74 ILE HA 1.0 0.0 3.44 292 278 A 74 ILE HB A 75 PHE H 1.0 0.0 5.32 293 279 A 75 PHE H A 74 ILE HG1y 1.0 0.0 6.09 294 280 A 75 PHE H A 74 ILE HG2% 1.0 0.0 4.13 295 281 A 75 PHE HA A 76 LEU H 1.0 0.0 3.50 296 282 A 76 LEU H A 3 ARG HA 1.0 0.0 4.02 297 283 A 76 LEU H A 75 PHE HB3 1.0 0.0 5.29 298 284 A 76 LEU H A 76 LEU HB2 1.0 0.0 3.84 299 284 A 76 LEU H A 76 LEU HB3 1.0 0.0 3.84 300 285 A 76 LEU H A 74 ILE HG2% 1.0 0.0 5.01 301 286 A 76 LEU H A 77 VAL H 1.0 0.0 5.47 302 287 A 77 VAL H A 78 SER H 1.0 0.0 6.02 303 288 A 77 VAL H A 76 LEU HA 1.0 0.0 3.37 304 289 A 77 VAL H A 77 VAL HB 1.0 0.0 3.87 305 290 A 77 VAL H A 76 LEU HB2 1.0 0.0 4.96 306 290 A 77 VAL H A 76 LEU HB3 1.0 0.0 4.96 307 291 A 77 VAL HG2% A 77 VAL H 1.0 0.0 4.11 308 292 A 78 SER H A 77 VAL HA 1.0 0.0 3.19 309 293 A 78 SER H A 78 SER HB2 1.0 0.0 4.26 310 293 A 78 SER H A 78 SER HB3 1.0 0.0 4.26 311 294 A 78 SER H A 4 VAL HB 1.0 0.0 5.17 312 295 A 61 ALA HB% A 78 SER H 1.0 0.0 5.35 313 296 A 77 VAL HG1% A 78 SER H 1.0 0.0 4.08 314 297 A 80 GLU H A 79 VAL H 1.0 0.0 5.04 315 298 A 79 VAL H A 78 SER HA 1.0 0.0 3.51 316 299 A 79 VAL H A 78 SER HB2 1.0 0.0 4.29 317 299 A 78 SER HB3 A 79 VAL H 1.0 0.0 4.29 318 300 A 79 VAL H A 79 VAL HB 1.0 0.0 4.18 319 301 A 61 ALA HB% A 79 VAL H 1.0 0.0 4.04 320 302 A 79 VAL HG2% A 79 VAL H 1.0 0.0 4.43 321 303 A 79 VAL HG1% A 79 VAL H 1.0 0.0 5.25 322 304 A 80 GLU H A 81 GLU H 1.0 0.0 5.80 323 305 A 80 GLU H A 7 THR HA 1.0 0.0 4.69 324 306 A 80 GLU H A 79 VAL HA 1.0 0.0 3.24 325 307 A 80 GLU H A 8 PRO HDx 1.0 0.0 4.69 326 308 A 80 GLU H A 80 GLU HG2 1.0 0.0 4.36 327 308 A 80 GLU H A 80 GLU HG3 1.0 0.0 4.36 328 309 A 80 GLU H A 80 GLU HBx 1.0 0.0 4.28 329 310 A 80 GLU H A 79 VAL HG2% 1.0 0.0 5.27 330 311 A 80 GLU H A 79 VAL HG1% 1.0 0.0 4.53 331 312 A 81 GLU H A 80 GLU HA 1.0 0.0 3.59 332 313 A 81 GLU H A 81 GLU HGy 1.0 0.0 5.55 333 314 A 81 GLU H A 81 GLU HGx 1.0 0.0 5.85 334 315 A 81 GLU H A 80 GLU HBy 1.0 0.0 4.38 335 316 A 81 GLU H A 81 GLU HBx 1.0 0.0 4.01 336 317 A 2 THR H A 76 LEU H 1.0 0.0 5.60 337 318 A 2 THR H A 1 MET HGy 1.0 0.0 5.86 338 319 A 2 THR H A 74 ILE HG2% 1.0 0.0 5.62 339 320 A 3 ARG H A 3 ARG HGy 1.0 0.0 4.74 340 321 A 4 VAL H A 77 VAL HG1% 1.0 0.0 5.39 341 322 A 4 VAL H A 3 ARG HGy 1.0 0.0 5.22 342 323 A 4 VAL H A 76 LEU HB2 1.0 0.0 5.61 343 323 A 4 VAL H A 76 LEU HB3 1.0 0.0 5.61 344 324 A 4 VAL HG2% A 5 ARG H 1.0 0.0 5.55 345 325 A 5 ARG H A 5 ARG HG2 1.0 0.0 4.98 346 325 A 5 ARG H A 5 ARG HG3 1.0 0.0 4.98 347 326 A 4 VAL HG1% A 6 SER H 1.0 0.0 5.65 348 327 A 6 SER H A 5 ARG HBx 1.0 0.0 5.47 349 328 A 12 LEU H A 53 VAL HG1% 1.0 0.0 5.48 350 329 A 13 GLU H A 14 LEU HD2% 1.0 0.0 5.69 351 330 A 14 LEU H A 13 GLU HBx 1.0 0.0 5.15 352 331 A 15 VAL H A 15 VAL HG1% 1.0 0.0 4.97 353 332 A 16 VAL HB A 17 HIS H 1.0 0.0 5.90 354 333 A 25 VAL H A 25 VAL HG1% 1.0 0.0 5.99 355 334 A 25 VAL H A 49 GLN HGy 1.0 0.0 5.76 356 335 A 26 ARG H A 67 ASP H 1.0 0.0 5.12 357 336 A 28 TYR H A 66 CYS HA 1.0 0.0 5.83 358 337 A 28 TYR H A 65 LEU HB2 1.0 0.0 5.59 359 338 A 28 TYR H A 29 LYS HB2 1.0 0.0 6.30 360 339 A 28 TYR H A 65 LEU HB3 1.0 0.0 6.30 361 340 A 28 TYR H A 34 LEU HG 1.0 0.0 6.30 362 341 A 28 TYR H A 34 LEU HD2% 1.0 0.0 6.30 363 342 A 29 LYS H A 29 LYS HGy 1.0 0.0 5.99 364 343 A 29 LYS H A 32 GLU HBx 1.0 0.0 5.69 365 344 A 31 GLY H A 65 LEU HD2% 1.0 0.0 5.61 366 345 A 29 LYS HB2 A 32 GLU H 1.0 0.0 5.67 367 346 A 30 ASP HBy A 32 GLU H 1.0 0.0 5.66 368 347 A 32 GLU H A 28 TYR HD% 1.0 0.0 5.42 369 348 A 33 ARG H A 33 ARG HD2 1.0 0.0 5.61 370 348 A 33 ARG H A 33 ARG HD3 1.0 0.0 5.61 371 349 A 33 ARG H A 32 GLU HGx 1.0 0.0 6.30 372 350 A 33 ARG H A 32 GLU HGy 1.0 0.0 5.82 373 351 A 34 LEU H A 33 ARG HB2 1.0 0.0 5.68 374 352 A 40 VAL HB A 35 ALA H 1.0 0.0 5.96 375 353 A 56 ALA HB% A 55 GLY H 1.0 0.0 5.63 376 354 A 40 VAL HG1% A 36 SER H 1.0 0.0 6.30 377 355 A 42 LEU HD1% A 36 SER H 1.0 0.0 6.30 378 356 A 55 GLY H A 11 ASP HB2 1.0 0.0 5.75 379 356 A 11 ASP HB3 A 55 GLY H 1.0 0.0 5.75 380 357 A 37 GLN H A 36 SER HBx 1.0 0.0 5.68 381 358 A 37 GLN H A 36 SER HBy 1.0 0.0 5.47 382 359 A 37 GLN H A 40 VAL H 1.0 0.0 5.10 383 360 A 40 VAL H A 41 GLN H 1.0 0.0 5.44 384 361 A 40 VAL HB A 41 GLN H 1.0 0.0 5.55 385 362 A 42 LEU HD2% A 42 LEU H 1.0 0.0 5.85 386 363 A 41 GLN HBx A 42 LEU H 1.0 0.0 5.06 387 364 A 43 GLU H A 43 GLU HGy 1.0 0.0 5.12 388 365 A 51 LEU HA A 43 GLU H 1.0 0.0 5.55 389 366 A 45 ALA H A 44 GLN HGx 1.0 0.0 5.78 390 367 A 49 GLN HE2y A 45 ALA H 1.0 0.0 5.66 391 368 A 48 ARG H A 48 ARG HG2 1.0 0.0 5.73 392 368 A 48 ARG H A 48 ARG HG3 1.0 0.0 5.73 393 369 A 45 ALA HB% A 48 ARG H 1.0 0.0 5.60 394 370 A 49 GLN HBx A 50 VAL H 1.0 0.0 5.58 395 371 A 50 VAL H A 27 TRP HZ2 1.0 0.0 5.63 396 372 A 49 GLN H A 50 VAL H 1.0 0.0 5.53 397 373 A 51 LEU H A 27 TRP HH2 1.0 0.0 5.93 398 374 A 51 LEU H A 15 VAL HA 1.0 0.0 5.81 399 375 A 51 LEU H A 50 VAL HG2% 1.0 0.0 5.07 400 376 A 51 LEU H A 51 LEU HG 1.0 0.0 5.79 401 377 A 51 LEU H A 51 LEU HD2% 1.0 0.0 6.00 402 378 A 52 ARG H A 51 LEU HBx 1.0 0.0 5.71 403 379 A 54 GLN H A 54 GLN HGx 1.0 0.0 5.09 404 380 A 54 GLN HA A 56 ALA H 1.0 0.0 5.70 405 381 A 10 GLY H A 56 ALA H 1.0 0.0 5.06 406 382 A 9 GLY H A 56 ALA H 1.0 0.0 5.24 407 383 A 79 VAL HG1% A 57 ARG H 1.0 0.0 5.51 408 384 A 61 ALA H A 60 ASP HBx 1.0 0.0 5.92 409 385 A 61 ALA H A 79 VAL H 1.0 0.0 5.88 410 386 A 62 GLY H A 78 SER HA 1.0 0.0 5.62 411 387 A 77 VAL HG2% A 62 GLY H 1.0 0.0 5.39 412 388 A 63 GLU H A 63 GLU HGy 1.0 0.0 4.87 413 389 A 77 VAL H A 64 TYR H 1.0 0.0 5.80 414 390 A 65 LEU H A 29 LYS HA 1.0 0.0 5.64 415 391 A 65 LEU H A 65 LEU HD2% 1.0 0.0 5.69 416 392 A 71 ASP H A 68 ALA H 1.0 0.0 6.30 417 393 A 71 ASP H A 72 SER H 1.0 0.0 6.30 418 394 A 74 ILE H A 74 ILE HG1x 1.0 0.0 5.25 419 395 A 64 TYR HBy A 75 PHE H 1.0 0.0 5.51 420 396 A 66 CYS H A 75 PHE H 1.0 0.0 6.22 421 397 A 76 LEU H A 75 PHE H 1.0 0.0 6.30 422 398 A 74 ILE H A 75 PHE H 1.0 0.0 5.90 423 399 A 76 LEU H A 76 LEU HG 1.0 0.0 4.86 424 400 A 77 VAL H A 77 VAL HG1% 1.0 0.0 5.18 425 401 A 6 SER H A 78 SER H 1.0 0.0 5.11 426 402 A 78 SER H A 79 VAL H 1.0 0.0 5.74 427 403 A 78 SER H A 5 ARG HG2 1.0 0.0 5.75 428 403 A 5 ARG HG3 A 78 SER H 1.0 0.0 5.75 429 404 A 77 VAL HB A 78 SER H 1.0 0.0 5.86 430 405 A 27 TRP HE1 A 25 VAL HB 1.0 0.0 5.71 431 406 A 27 TRP HE1 A 42 LEU HBx 1.0 0.0 5.96 432 407 A 2 THR H A 2 THR HG2% 1.0 0.0 5.47 433 408 A 74 ILE H A 74 ILE HG2% 1.0 0.0 5.19 434 409 A 61 ALA H A 62 GLY HAx 1.0 0.0 5.19 435 410 A 3 ARG H A 3 ARG HGx 1.0 0.0 5.89 436 411 A 4 VAL H A 77 VAL HA 1.0 0.0 3.41 437 412 A 6 SER H A 77 VAL HG1% 1.0 0.0 5.57 438 413 A 9 GLY H A 57 ARG HG2 1.0 0.0 5.79 439 413 A 9 GLY H A 57 ARG HG3 1.0 0.0 5.79 440 414 A 9 GLY H A 57 ARG HA 1.0 0.0 4.90 441 415 A 10 GLY H A 57 ARG HA 1.0 0.0 5.57 442 416 A 12 LEU H A 55 GLY H 1.0 0.0 5.78 443 417 A 12 LEU H A 54 GLN HA 1.0 0.0 5.30 444 418 A 13 GLU H A 14 LEU H 1.0 0.0 5.66 445 419 A 14 LEU H A 51 LEU HD2% 1.0 0.0 5.55 446 420 A 14 LEU H A 52 ARG HGx 1.0 0.0 5.80 447 421 A 14 LEU H A 15 VAL HA 1.0 0.0 5.20 448 422 A 14 LEU H A 15 VAL H 1.0 0.0 5.75 449 423 A 13 GLU HGy A 15 VAL H 1.0 0.0 5.50 450 424 A 15 VAL HG2% A 16 VAL H 1.0 0.0 5.24 451 425 A 16 VAL H A 16 VAL HG1% 1.0 0.0 5.47 452 426 A 51 LEU H A 16 VAL H 1.0 0.0 5.84 453 427 A 15 VAL HG1% A 17 HIS H 1.0 0.0 6.30 454 428 A 17 HIS H A 18 LEU HD2% 1.0 0.0 6.30 455 429 A 26 ARG H A 68 ALA HA 1.0 0.0 5.68 456 430 A 27 TRP H A 26 ARG HG2 1.0 0.0 5.43 457 430 A 26 ARG HG3 A 27 TRP H 1.0 0.0 5.43 458 431 A 27 TRP H A 26 ARG HBy 1.0 0.0 5.68 459 432 A 27 TRP H A 28 TYR H 1.0 0.0 5.78 460 433 A 27 TRP HBx A 28 TYR H 1.0 0.0 5.96 461 434 A 28 TYR H A 64 TYR HBx 1.0 0.0 6.30 462 435 A 34 LEU H A 29 LYS H 1.0 0.0 5.81 463 436 A 30 ASP H A 63 GLU HB3 1.0 0.0 5.94 464 437 A 32 GLU H A 32 GLU HGy 1.0 0.0 4.81 465 438 A 32 GLU HBx A 33 ARG H 1.0 0.0 5.86 466 439 A 34 LEU H A 33 ARG HGx 1.0 0.0 5.06 467 440 A 42 LEU HD2% A 35 ALA H 1.0 0.0 5.93 468 441 A 35 ALA HB% A 36 SER H 1.0 0.0 5.62 469 442 A 37 GLN H A 41 GLN HA 1.0 0.0 4.62 470 443 A 37 GLN H A 40 VAL HG2% 1.0 0.0 6.02 471 444 A 40 VAL H A 37 GLN HBy 1.0 0.0 5.32 472 445 A 36 SER HA A 42 LEU H 1.0 0.0 4.75 473 446 A 42 LEU H A 43 GLU H 1.0 0.0 6.00 474 447 A 41 GLN H A 42 LEU H 1.0 0.0 5.86 475 448 A 42 LEU HBy A 43 GLU H 1.0 0.0 5.66 476 449 A 45 ALA HB% A 44 GLN H 1.0 0.0 6.08 477 450 A 53 VAL H A 12 LEU HD1% 1.0 0.0 5.41 478 451 A 56 ALA H A 57 ARG H 1.0 0.0 5.94 479 452 A 60 ASP H A 57 ARG HA 1.0 0.0 5.71 480 453 A 79 VAL HG1% A 60 ASP H 1.0 0.0 6.00 481 454 A 57 ARG HBx A 60 ASP H 1.0 0.0 5.72 482 455 A 61 ALA H A 77 VAL HG1% 1.0 0.0 5.60 483 456 A 61 ALA H A 62 GLY H 1.0 0.0 5.88 484 457 A 64 TYR H A 63 GLU HGy 1.0 0.0 5.72 485 458 A 65 LEU H A 64 TYR H 1.0 0.0 5.68 486 459 A 65 LEU H A 65 LEU HD1% 1.0 0.0 5.94 487 460 A 65 LEU H A 28 TYR HB2 1.0 0.0 5.06 488 461 A 71 ASP H A 70 GLN HBx 1.0 0.0 6.03 489 462 A 65 LEU HG A 73 ARG H 1.0 0.0 5.64 490 463 A 74 ILE H A 73 ARG HDy 1.0 0.0 5.88 491 464 A 76 LEU H A 75 PHE HD% 1.0 0.0 6.01 492 465 A 76 LEU H A 4 VAL HG2% 1.0 0.0 5.64 493 466 A 77 VAL H A 62 GLY HAx 1.0 0.0 5.88 494 467 A 79 VAL HG2% A 78 SER H 1.0 0.0 5.99 495 468 A 77 VAL HG2% A 78 SER H 1.0 0.0 4.81 496 469 A 79 VAL H A 80 GLU HG2 1.0 0.0 5.59 497 469 A 79 VAL H A 80 GLU HG3 1.0 0.0 5.59 498 470 A 77 VAL HG1% A 79 VAL H 1.0 0.0 5.75 499 471 A 80 GLU H A 7 THR HG2% 1.0 0.0 5.70 500 472 A 80 GLU H A 5 ARG HG2 1.0 0.0 5.72 501 472 A 80 GLU H A 5 ARG HG3 1.0 0.0 5.72 502 473 A 66 CYS H A 65 LEU HD1% 1.0 0.0 4.33 503 474 A 66 CYS H A 65 LEU HB3 1.0 0.0 5.72 504 475 A 66 CYS H A 73 ARG HB2 1.0 0.0 6.15 505 475 A 73 ARG HB3 A 66 CYS H 1.0 0.0 6.15 506 476 A 14 LEU H A 50 VAL HA 1.0 0.0 6.05 507 477 A 66 CYS H A 74 ILE HA 1.0 0.0 6.30 508 478 A 66 CYS H A 73 ARG H 1.0 0.0 4.96 509 479 A 27 TRP HA A 67 ASP H 1.0 0.0 5.68 510 480 A 25 VAL HG1% A 67 ASP H 1.0 0.0 5.83 511 481 A 65 LEU HD1% A 67 ASP H 1.0 0.0 6.07 512 482 A 67 ASP H A 66 CYS HBx 1.0 0.0 6.30 513 483 A 65 LEU HG A 67 ASP H 1.0 0.0 5.70 514 484 A 67 ASP H A 26 ARG HBy 1.0 0.0 5.97 515 485 A 67 ASP H A 28 TYR HD% 1.0 0.0 5.99 516 486 A 72 SER HA A 68 ALA H 1.0 0.0 5.37 517 487 A 68 ALA H A 67 ASP HB3 1.0 0.0 5.89 518 488 A 68 ALA HB% A 68 ALA H 1.0 0.0 4.41 519 489 A 52 ARG HBx A 52 ARG HE 1.0 0.0 6.24 520 490 A 76 LEU HD1% A 1 MET HB2 1.0 0.0 5.84 521 490 A 1 MET HB3 A 76 LEU HD1% 1.0 0.0 5.84 522 491 A 76 LEU HD2% A 1 MET HB2 1.0 0.0 6.30 523 491 A 1 MET HB3 A 76 LEU HD2% 1.0 0.0 6.30 524 492 A 74 ILE HB A 1 MET HGy 1.0 0.0 5.29 525 493 A 74 ILE HG2% A 1 MET HGy 1.0 0.0 5.02 526 494 A 1 MET HGy A 1 MET HE% 1.0 0.0 4.73 527 495 A 74 ILE HG2% A 1 MET HE% 1.0 0.0 4.96 528 496 A 76 LEU HD1% A 1 MET HE% 1.0 0.0 5.70 529 497 A 20 GLY HAy A 21 PRO HBy 1.0 0.0 6.04 530 498 A 1 MET HGx A 74 ILE HB 1.0 0.0 5.11 531 499 A 1 MET HGx A 74 ILE HG2% 1.0 0.0 5.17 532 500 A 1 MET HGx A 76 LEU HD1% 1.0 0.0 5.93 533 501 A 75 PHE HA A 2 THR HB 1.0 0.0 5.27 534 502 A 2 THR HB A 4 VAL HG2% 1.0 0.0 5.85 535 503 A 2 THR HG2% A 4 VAL HB 1.0 0.0 6.30 536 504 A 2 THR HG2% A 4 VAL HG2% 1.0 0.0 3.96 537 505 A 2 THR HG2% A 16 VAL HG1% 1.0 0.0 4.67 538 506 A 40 VAL HG2% A 39 ARG HG2 1.0 0.0 5.04 539 506 A 39 ARG HG3 A 40 VAL HG2% 1.0 0.0 5.04 540 507 A 4 VAL H A 3 ARG HD2 1.0 0.0 6.03 541 507 A 4 VAL H A 3 ARG HD3 1.0 0.0 6.03 542 508 A 3 ARG HA A 3 ARG HD2 1.0 0.0 5.46 543 508 A 3 ARG HA A 3 ARG HD3 1.0 0.0 5.46 544 509 A 76 LEU HD1% A 3 ARG HD2 1.0 0.0 5.85 545 509 A 76 LEU HD1% A 3 ARG HD3 1.0 0.0 5.85 546 510 A 4 VAL HG2% A 4 VAL HA 1.0 0.0 4.36 547 511 A 4 VAL HG1% A 77 VAL HA 1.0 0.0 5.60 548 512 A 15 VAL HG2% A 15 VAL HA 1.0 0.0 4.33 549 513 A 4 VAL HG1% A 4 VAL HA 1.0 0.0 4.45 550 514 A 4 VAL HG1% A 6 SER HBy 1.0 0.0 5.62 551 515 A 4 VAL HG1% A 12 LEU HD2% 1.0 0.0 4.96 552 516 A 4 VAL HG1% A 14 LEU HD2% 1.0 0.0 4.33 553 517 A 4 VAL HG1% A 14 LEU HD1% 1.0 0.0 5.82 554 518 A 3 ARG HA A 4 VAL HG2% 1.0 0.0 5.49 555 519 A 4 VAL HG2% A 75 PHE HB3 1.0 0.0 5.13 556 520 A 4 VAL HG2% A 14 LEU HD2% 1.0 0.0 4.21 557 521 A 77 VAL HA A 4 VAL HB 1.0 0.0 4.68 558 522 A 14 LEU HD2% A 4 VAL HB 1.0 0.0 5.76 559 523 A 5 ARG HA A 78 SER H 1.0 0.0 5.25 560 524 A 5 ARG HA A 78 SER HB2 1.0 0.0 5.20 561 524 A 5 ARG HA A 78 SER HB3 1.0 0.0 5.20 562 525 A 57 ARG HA A 57 ARG HD2 1.0 0.0 4.75 563 525 A 57 ARG HA A 57 ARG HD3 1.0 0.0 4.75 564 526 A 15 VAL HG1% A 48 ARG HD2 1.0 0.0 5.66 565 526 A 15 VAL HG1% A 48 ARG HD3 1.0 0.0 5.66 566 527 A 80 GLU H A 6 SER HBy 1.0 0.0 6.30 567 528 A 56 ALA HB% A 6 SER HBy 1.0 0.0 5.34 568 529 A 12 LEU HD1% A 6 SER HBy 1.0 0.0 5.48 569 530 A 79 VAL HG2% A 6 SER HBy 1.0 0.0 5.69 570 531 A 79 VAL HG1% A 6 SER HBy 1.0 0.0 5.52 571 532 A 79 VAL HA A 6 SER HBx 1.0 0.0 5.78 572 533 A 6 SER HBx A 12 LEU HG 1.0 0.0 5.97 573 534 A 6 SER HBx A 79 VAL HG1% 1.0 0.0 5.41 574 535 A 8 PRO HDx A 7 THR HB 1.0 0.0 4.37 575 536 A 8 PRO HDy A 7 THR HG2% 1.0 0.0 4.64 576 537 A 7 THR HG2% A 81 GLU HBy 1.0 0.0 6.30 577 538 A 7 THR HG2% A 81 GLU HBx 1.0 0.0 6.10 578 539 A 79 VAL HG1% A 7 THR HG2% 1.0 0.0 6.02 579 540 A 8 PRO HA A 57 ARG HG2 1.0 0.0 5.68 580 540 A 8 PRO HA A 57 ARG HG3 1.0 0.0 5.68 581 541 A 8 PRO HA A 56 ALA HB% 1.0 0.0 5.07 582 542 A 8 PRO HBx A 57 ARG HD2 1.0 0.0 5.40 583 542 A 57 ARG HD3 A 8 PRO HBx 1.0 0.0 5.40 584 543 A 79 VAL HG1% A 8 PRO HGy 1.0 0.0 5.61 585 544 A 8 PRO HDx A 7 THR HG2% 1.0 0.0 5.26 586 545 A 57 ARG HA A 8 PRO HBy 1.0 0.0 6.10 587 546 A 79 VAL HG1% A 8 PRO HBy 1.0 0.0 5.29 588 547 A 8 PRO HGx A 82 PRO HBy 1.0 0.0 5.24 589 548 A 79 VAL HG1% A 8 PRO HGx 1.0 0.0 4.80 590 549 A 11 ASP HA A 54 GLN HA 1.0 0.0 4.65 591 550 A 54 GLN HA A 11 ASP HB2 1.0 0.0 5.75 592 550 A 11 ASP HB3 A 54 GLN HA 1.0 0.0 5.75 593 551 A 12 LEU HA A 12 LEU HD2% 1.0 0.0 5.62 594 552 A 6 SER HBx A 12 LEU HD2% 1.0 0.0 5.73 595 553 A 6 SER HBy A 12 LEU HD2% 1.0 0.0 6.30 596 554 A 77 VAL HG1% A 12 LEU HD2% 1.0 0.0 4.06 597 555 A 12 LEU HBx A 13 GLU H 1.0 0.0 6.08 598 556 A 12 LEU HBx A 77 VAL HG1% 1.0 0.0 5.42 599 557 A 12 LEU HA A 12 LEU HD1% 1.0 0.0 4.62 600 558 A 6 SER HBx A 12 LEU HD1% 1.0 0.0 5.03 601 559 A 4 VAL HG1% A 12 LEU HD1% 1.0 0.0 4.24 602 560 A 77 VAL HG2% A 12 LEU HD1% 1.0 0.0 4.70 603 561 A 12 LEU HD1% A 14 LEU HD2% 1.0 0.0 4.25 604 562 A 12 LEU HD1% A 14 LEU HD1% 1.0 0.0 5.04 605 563 A 12 LEU H A 12 LEU HG 1.0 0.0 6.00 606 564 A 12 LEU HG A 14 LEU HG 1.0 0.0 5.54 607 565 A 50 VAL HG1% A 13 GLU HBx 1.0 0.0 6.00 608 566 A 13 GLU HGy A 15 VAL HG2% 1.0 0.0 5.18 609 567 A 13 GLU HGy A 50 VAL HG1% 1.0 0.0 5.26 610 568 A 13 GLU HBy A 52 ARG HGx 1.0 0.0 5.91 611 569 A 14 LEU H A 13 GLU HGx 1.0 0.0 6.30 612 570 A 50 VAL HG2% A 13 GLU HGx 1.0 0.0 6.30 613 571 A 50 VAL HG1% A 13 GLU HGx 1.0 0.0 5.22 614 572 A 4 VAL HG1% A 14 LEU HA 1.0 0.0 5.43 615 573 A 14 LEU HD2% A 14 LEU HA 1.0 0.0 4.22 616 574 A 14 LEU HD2% A 75 PHE HB3 1.0 0.0 5.39 617 575 A 77 VAL HG2% A 14 LEU HD2% 1.0 0.0 3.91 618 576 A 14 LEU HBy A 75 PHE HD% 1.0 0.0 6.21 619 577 A 14 LEU HBy A 51 LEU HBy 1.0 0.0 4.90 620 578 A 14 LEU HD1% A 64 TYR HBy 1.0 0.0 5.24 621 579 A 14 LEU HD1% A 75 PHE HB2 1.0 0.0 5.22 622 580 A 15 VAL HA A 15 VAL HG1% 1.0 0.0 4.43 623 581 A 53 VAL HG2% A 53 VAL HA 1.0 0.0 4.13 624 582 A 12 LEU HG A 53 VAL HG2% 1.0 0.0 5.23 625 583 A 15 VAL HG1% A 48 ARG HG2 1.0 0.0 5.73 626 583 A 15 VAL HG1% A 48 ARG HG3 1.0 0.0 5.73 627 584 A 42 LEU HD2% A 40 VAL HG1% 1.0 0.0 4.41 628 585 A 51 LEU HD2% A 53 VAL HG2% 1.0 0.0 3.96 629 586 A 15 VAL HG2% A 50 VAL HA 1.0 0.0 5.59 630 587 A 15 VAL HG2% A 13 GLU HGx 1.0 0.0 5.21 631 588 A 16 VAL HG2% A 73 ARG HB2 1.0 0.0 4.75 632 588 A 73 ARG HB3 A 16 VAL HG2% 1.0 0.0 4.75 633 589 A 18 LEU HD1% A 20 GLY HAx 1.0 0.0 5.59 634 590 A 18 LEU HD1% A 49 GLN HGx 1.0 0.0 4.05 635 591 A 18 LEU HBx A 18 LEU HD1% 1.0 0.0 3.29 636 592 A 16 VAL HG2% A 18 LEU HD1% 1.0 0.0 5.18 637 593 A 18 LEU HD2% A 18 LEU HA 1.0 0.0 4.46 638 594 A 18 LEU HD2% A 71 ASP HB2 1.0 0.0 4.76 639 594 A 18 LEU HD2% A 71 ASP HB3 1.0 0.0 4.76 640 595 A 16 VAL HB A 18 LEU HD2% 1.0 0.0 5.46 641 596 A 2 THR HG2% A 18 LEU HD2% 1.0 0.0 5.15 642 597 A 2 THR HG2% A 18 LEU HBy 1.0 0.0 5.99 643 598 A 70 GLN HBy A 21 PRO HDx 1.0 0.0 6.30 644 599 A 21 PRO HDx A 70 GLN HG2 1.0 0.0 6.30 645 599 A 70 GLN HG3 A 21 PRO HDx 1.0 0.0 6.30 646 600 A 25 VAL HG1% A 68 ALA HA 1.0 0.0 5.96 647 601 A 25 VAL HG1% A 49 GLN HGx 1.0 0.0 5.32 648 602 A 25 VAL HG1% A 68 ALA HB% 1.0 0.0 5.21 649 603 A 50 VAL H A 50 VAL HG2% 1.0 0.0 4.86 650 604 A 23 GLY HA3 A 25 VAL HG2% 1.0 0.0 4.94 651 605 A 26 ARG HBx A 28 TYR HB2 1.0 0.0 6.30 652 606 A 67 ASP HB2 A 26 ARG HBy 1.0 0.0 5.57 653 607 A 27 TRP HA A 66 CYS HA 1.0 0.0 5.04 654 608 A 27 TRP HBx A 34 LEU HBy 1.0 0.0 5.35 655 609 A 42 LEU HD2% A 27 TRP HBx 1.0 0.0 5.87 656 610 A 27 TRP HBx A 51 LEU HD2% 1.0 0.0 6.30 657 611 A 27 TRP HBy A 34 LEU HBy 1.0 0.0 5.61 658 612 A 27 TRP HBy A 51 LEU HG 1.0 0.0 5.82 659 613 A 27 TRP HBy A 51 LEU HD2% 1.0 0.0 6.30 660 614 A 33 ARG HA A 28 TYR HA 1.0 0.0 4.65 661 615 A 28 TYR HA A 29 LYS HB2 1.0 0.0 5.01 662 616 A 28 TYR HB3 A 29 LYS HA 1.0 0.0 5.53 663 617 A 28 TYR HB3 A 65 LEU HB2 1.0 0.0 5.10 664 618 A 28 TYR HB3 A 65 LEU HB3 1.0 0.0 5.84 665 619 A 65 LEU HG A 28 TYR HB3 1.0 0.0 6.16 666 620 A 28 TYR HB3 A 65 LEU HD2% 1.0 0.0 5.57 667 621 A 32 GLU HA A 33 ARG HD2 1.0 0.0 5.07 668 621 A 32 GLU HA A 33 ARG HD3 1.0 0.0 5.07 669 622 A 28 TYR HB2 A 65 LEU HB2 1.0 0.0 4.81 670 623 A 42 LEU HD1% A 35 ALA HA 1.0 0.0 4.78 671 624 A 42 LEU HD1% A 36 SER HBx 1.0 0.0 5.39 672 625 A 30 ASP H A 29 LYS HEy 1.0 0.0 5.29 673 626 A 29 LYS HEy A 60 ASP HA 1.0 0.0 4.70 674 627 A 29 LYS HGx A 64 TYR HD% 1.0 0.0 6.12 675 628 A 51 LEU HD2% A 64 TYR HD% 1.0 0.0 5.85 676 629 A 51 LEU HD2% A 64 TYR HE% 1.0 0.0 5.74 677 630 A 52 ARG HA A 51 LEU HD2% 1.0 0.0 5.50 678 631 A 40 VAL HG1% A 51 LEU HD2% 1.0 0.0 4.01 679 632 A 30 ASP H A 29 LYS HEx 1.0 0.0 5.28 680 633 A 29 LYS HEx A 64 TYR HE% 1.0 0.0 5.73 681 634 A 29 LYS HEx A 62 GLY HAy 1.0 0.0 5.18 682 635 A 29 LYS HA A 29 LYS HDy 1.0 0.0 6.04 683 636 A 50 VAL HG1% A 52 ARG HGx 1.0 0.0 5.72 684 637 A 29 LYS HGy A 30 ASP HBx 1.0 0.0 6.02 685 638 A 28 TYR HB3 A 31 GLY HAx 1.0 0.0 6.10 686 639 A 32 GLU H A 32 GLU HGx 1.0 0.0 5.93 687 640 A 32 GLU HGx A 33 ARG HB2 1.0 0.0 6.30 688 641 A 29 LYS H A 33 ARG HGy 1.0 0.0 6.30 689 642 A 28 TYR HE% A 33 ARG HGy 1.0 0.0 6.12 690 643 A 33 ARG HGy A 34 LEU HA 1.0 0.0 5.95 691 644 A 33 ARG HA A 33 ARG HD2 1.0 0.0 4.77 692 644 A 33 ARG HA A 33 ARG HD3 1.0 0.0 4.77 693 645 A 28 TYR HE% A 33 ARG HB2 1.0 0.0 6.06 694 646 A 35 ALA H A 34 LEU HBx 1.0 0.0 5.43 695 647 A 27 TRP HBx A 34 LEU HBx 1.0 0.0 5.79 696 648 A 40 VAL HG1% A 34 LEU HBx 1.0 0.0 5.43 697 649 A 42 LEU HD1% A 34 LEU HBx 1.0 0.0 5.76 698 650 A 34 LEU HD2% A 64 TYR HD% 1.0 0.0 6.30 699 651 A 34 LEU HD2% A 64 TYR HE% 1.0 0.0 6.07 700 652 A 34 LEU HD2% A 34 LEU HA 1.0 0.0 4.05 701 653 A 29 LYS HB2 A 34 LEU HD2% 1.0 0.0 4.02 702 654 A 34 LEU HD2% A 29 LYS HB3 1.0 0.0 4.23 703 655 A 34 LEU HBy A 40 VAL HG1% 1.0 0.0 5.67 704 656 A 42 LEU HD1% A 34 LEU HBy 1.0 0.0 6.10 705 657 A 34 LEU HBy A 51 LEU HD2% 1.0 0.0 6.30 706 658 A 29 LYS H A 34 LEU HG 1.0 0.0 5.92 707 659 A 34 LEU H A 34 LEU HG 1.0 0.0 5.24 708 660 A 34 LEU HG A 64 TYR HD% 1.0 0.0 4.91 709 661 A 34 LEU HG A 64 TYR HE% 1.0 0.0 5.11 710 662 A 28 TYR HA A 34 LEU HG 1.0 0.0 5.61 711 663 A 27 TRP HBy A 34 LEU HG 1.0 0.0 4.92 712 664 A 27 TRP HBx A 34 LEU HG 1.0 0.0 5.32 713 665 A 51 LEU HD2% A 34 LEU HG 1.0 0.0 4.09 714 666 A 35 ALA HB% A 37 GLN HBx 1.0 0.0 5.71 715 667 A 33 ARG HGy A 35 ALA HB% 1.0 0.0 5.88 716 668 A 36 SER HA A 40 VAL HG1% 1.0 0.0 4.91 717 669 A 36 SER HBx A 42 LEU HBy 1.0 0.0 4.86 718 670 A 36 SER HBx A 42 LEU HG 1.0 0.0 4.95 719 671 A 40 VAL HG1% A 36 SER HBx 1.0 0.0 5.87 720 672 A 16 VAL HG1% A 49 GLN HBx 1.0 0.0 5.99 721 673 A 53 VAL HG1% A 39 ARG HBy 1.0 0.0 5.72 722 674 A 40 VAL HG1% A 40 VAL HA 1.0 0.0 4.44 723 675 A 40 VAL HG1% A 42 LEU HG 1.0 0.0 4.86 724 676 A 40 VAL HG2% A 40 VAL HA 1.0 0.0 4.24 725 677 A 35 ALA HB% A 37 GLN HG2 1.0 0.0 5.00 726 677 A 37 GLN HG3 A 35 ALA HB% 1.0 0.0 5.00 727 678 A 40 VAL HA A 41 GLN HBy 1.0 0.0 4.96 728 679 A 41 GLN HBy A 42 LEU HG 1.0 0.0 6.15 729 680 A 16 VAL HG1% A 49 GLN HGx 1.0 0.0 5.76 730 681 A 25 VAL HG2% A 49 GLN HGx 1.0 0.0 6.23 731 682 A 42 LEU HD1% A 27 TRP HBx 1.0 0.0 5.58 732 683 A 36 SER HBx A 42 LEU HBx 1.0 0.0 6.18 733 684 A 42 LEU HD2% A 51 LEU HBx 1.0 0.0 5.25 734 685 A 49 GLN HE2x A 44 GLN HB2 1.0 0.0 6.06 735 685 A 49 GLN HE2x A 44 GLN HB3 1.0 0.0 6.06 736 686 A 25 VAL HG2% A 49 GLN HGy 1.0 0.0 5.44 737 687 A 44 GLN HA A 45 ALA HB% 1.0 0.0 5.93 738 688 A 45 ALA HB% A 48 ARG HBy 1.0 0.0 5.20 739 689 A 43 GLU HBy A 48 ARG HG2 1.0 0.0 4.98 740 689 A 43 GLU HBy A 48 ARG HG3 1.0 0.0 4.98 741 690 A 15 VAL HG2% A 48 ARG HG2 1.0 0.0 6.04 742 690 A 15 VAL HG2% A 48 ARG HG3 1.0 0.0 6.04 743 691 A 48 ARG HBy A 47 ALA HA 1.0 0.0 5.94 744 692 A 18 LEU HG A 49 GLN HGy 1.0 0.0 5.90 745 693 A 25 VAL HG1% A 49 GLN HGy 1.0 0.0 6.01 746 694 A 16 VAL HG1% A 49 GLN HBy 1.0 0.0 6.18 747 695 A 50 VAL HG1% A 50 VAL HA 1.0 0.0 4.37 748 696 A 13 GLU HA A 50 VAL HG1% 1.0 0.0 5.83 749 697 A 50 VAL HG1% A 15 VAL HA 1.0 0.0 5.37 750 698 A 50 VAL HG1% A 52 ARG HGy 1.0 0.0 4.51 751 699 A 16 VAL H A 50 VAL HG2% 1.0 0.0 5.63 752 700 A 50 VAL HG2% A 49 GLN HA 1.0 0.0 5.52 753 701 A 15 VAL HA A 50 VAL HG2% 1.0 0.0 4.81 754 702 A 43 GLU H A 50 VAL HB 1.0 0.0 5.74 755 703 A 51 LEU HA A 42 LEU HA 1.0 0.0 4.80 756 704 A 51 LEU HA A 51 LEU HD1% 1.0 0.0 5.01 757 705 A 42 LEU HD2% A 51 LEU HA 1.0 0.0 4.81 758 706 A 51 LEU HA A 51 LEU HD2% 1.0 0.0 5.67 759 707 A 14 LEU HBy A 51 LEU HBx 1.0 0.0 5.69 760 708 A 52 ARG H A 51 LEU HD1% 1.0 0.0 5.69 761 709 A 14 LEU H A 51 LEU HBy 1.0 0.0 6.30 762 710 A 14 LEU HG A 51 LEU HBy 1.0 0.0 6.22 763 711 A 52 ARG H A 51 LEU HG 1.0 0.0 6.02 764 712 A 34 LEU HG A 51 LEU HG 1.0 0.0 4.37 765 713 A 52 ARG HA A 13 GLU HA 1.0 0.0 4.58 766 714 A 34 LEU HD2% A 29 LYS HDx 1.0 0.0 5.25 767 715 A 50 VAL HG1% A 52 ARG HBx 1.0 0.0 6.12 768 716 A 41 GLN HBy A 52 ARG HD2 1.0 0.0 5.67 769 716 A 41 GLN HBy A 52 ARG HD3 1.0 0.0 5.67 770 717 A 53 VAL HA A 53 VAL HG1% 1.0 0.0 4.35 771 718 A 56 ALA HB% A 53 VAL HG1% 1.0 0.0 4.95 772 719 A 12 LEU HBy A 53 VAL HG2% 1.0 0.0 5.39 773 720 A 53 VAL HG2% A 12 LEU HD2% 1.0 0.0 4.44 774 721 A 53 VAL HB A 12 LEU HBy 1.0 0.0 4.41 775 722 A 53 VAL HB A 12 LEU HBx 1.0 0.0 4.68 776 723 A 53 VAL HB A 51 LEU HD2% 1.0 0.0 6.04 777 724 A 39 ARG HA A 54 GLN HGy 1.0 0.0 5.94 778 725 A 6 SER HBx A 56 ALA HB% 1.0 0.0 5.73 779 726 A 56 ALA HB% A 60 ASP HBy 1.0 0.0 5.68 780 727 A 56 ALA HB% A 53 VAL HB 1.0 0.0 5.68 781 728 A 79 VAL HG2% A 56 ALA HB% 1.0 0.0 4.22 782 729 A 79 VAL HG1% A 56 ALA HB% 1.0 0.0 4.33 783 730 A 56 ALA HA A 53 VAL HG1% 1.0 0.0 4.26 784 731 A 57 ARG H A 57 ARG HG2 1.0 0.0 5.24 785 731 A 57 ARG H A 57 ARG HG3 1.0 0.0 5.24 786 732 A 57 ARG H A 60 ASP HBx 1.0 0.0 5.97 787 733 A 56 ALA HB% A 60 ASP HBx 1.0 0.0 5.93 788 734 A 79 VAL HG2% A 60 ASP HBx 1.0 0.0 5.15 789 735 A 14 LEU HD1% A 64 TYR HBx 1.0 0.0 5.45 790 736 A 61 ALA HB% A 78 SER HA 1.0 0.0 4.39 791 737 A 61 ALA HA A 77 VAL HB 1.0 0.0 5.03 792 738 A 63 GLU HB2 A 74 ILE HG2% 1.0 0.0 5.96 793 739 A 64 TYR H A 63 GLU HGx 1.0 0.0 6.25 794 740 A 76 LEU HG A 63 GLU HGx 1.0 0.0 6.30 795 741 A 74 ILE HG2% A 63 GLU HGx 1.0 0.0 5.17 796 742 A 64 TYR HA A 29 LYS HA 1.0 0.0 4.64 797 743 A 64 TYR HBx A 75 PHE HD% 1.0 0.0 6.15 798 744 A 75 PHE HB2 A 64 TYR HBx 1.0 0.0 5.38 799 745 A 77 VAL HG2% A 64 TYR HBx 1.0 0.0 5.93 800 746 A 64 TYR HBx A 51 LEU HG 1.0 0.0 5.99 801 747 A 64 TYR HBy A 75 PHE HB2 1.0 0.0 4.96 802 748 A 77 VAL HG2% A 64 TYR HBy 1.0 0.0 6.04 803 749 A 65 LEU HA A 65 LEU HD2% 1.0 0.0 5.96 804 750 A 28 TYR HB2 A 65 LEU HD2% 1.0 0.0 5.52 805 751 A 65 LEU HD2% A 67 ASP HB3 1.0 0.0 4.89 806 752 A 65 LEU HB3 A 28 TYR HD% 1.0 0.0 6.17 807 753 A 28 TYR HB2 A 65 LEU HB3 1.0 0.0 5.43 808 754 A 65 LEU HD1% A 65 LEU HA 1.0 0.0 4.46 809 755 A 65 LEU HD1% A 74 ILE HA 1.0 0.0 5.13 810 756 A 65 LEU HD1% A 67 ASP HA 1.0 0.0 5.89 811 757 A 72 SER HBy A 65 LEU HD1% 1.0 0.0 5.06 812 758 A 72 SER HBx A 65 LEU HD1% 1.0 0.0 5.03 813 759 A 65 LEU HD1% A 74 ILE HG1y 1.0 0.0 4.56 814 760 A 65 LEU HB2 A 28 TYR HD% 1.0 0.0 5.69 815 761 A 65 LEU HG A 67 ASP HB3 1.0 0.0 5.11 816 762 A 49 GLN HGy A 18 LEU HD1% 1.0 0.0 5.65 817 763 A 25 VAL HG2% A 69 PRO HDx 1.0 0.0 6.01 818 764 A 18 LEU HD1% A 71 ASP HB2 1.0 0.0 6.16 819 764 A 71 ASP HB3 A 18 LEU HD1% 1.0 0.0 6.16 820 765 A 66 CYS HBy A 73 ARG HB2 1.0 0.0 5.32 821 765 A 73 ARG HB3 A 66 CYS HBy 1.0 0.0 5.32 822 766 A 52 ARG HBy A 41 GLN HBy 1.0 0.0 5.50 823 767 A 16 VAL HG1% A 73 ARG HB2 1.0 0.0 5.58 824 767 A 73 ARG HB3 A 16 VAL HG1% 1.0 0.0 5.58 825 768 A 73 ARG HA A 73 ARG HDy 1.0 0.0 5.18 826 769 A 1 MET HA A 74 ILE HB 1.0 0.0 5.06 827 770 A 65 LEU HA A 74 ILE HA 1.0 0.0 4.51 828 771 A 74 ILE HD1% A 74 ILE HA 1.0 0.0 5.54 829 772 A 74 ILE HA A 74 ILE HG2% 1.0 0.0 4.41 830 773 A 1 MET HA A 74 ILE HG2% 1.0 0.0 5.73 831 774 A 74 ILE HG2% A 63 GLU HGy 1.0 0.0 4.33 832 775 A 74 ILE H A 74 ILE HG1y 1.0 0.0 5.40 833 776 A 75 PHE HA A 74 ILE HG2% 1.0 0.0 6.04 834 777 A 75 PHE HA A 76 LEU HD2% 1.0 0.0 6.30 835 778 A 64 TYR HBy A 75 PHE HB3 1.0 0.0 5.44 836 779 A 14 LEU HD1% A 75 PHE HB3 1.0 0.0 5.71 837 780 A 2 THR HG2% A 75 PHE HB2 1.0 0.0 5.59 838 781 A 4 VAL HG2% A 75 PHE HB2 1.0 0.0 5.73 839 782 A 77 VAL HG2% A 75 PHE HB2 1.0 0.0 5.28 840 783 A 14 LEU HD2% A 75 PHE HB2 1.0 0.0 5.86 841 784 A 76 LEU HA A 76 LEU HD1% 1.0 0.0 5.13 842 785 A 77 VAL H A 76 LEU HD2% 1.0 0.0 5.60 843 786 A 76 LEU H A 76 LEU HD2% 1.0 0.0 5.71 844 787 A 76 LEU HA A 76 LEU HD2% 1.0 0.0 4.00 845 788 A 63 GLU HGy A 76 LEU HD2% 1.0 0.0 4.58 846 789 A 63 GLU HB3 A 76 LEU HD2% 1.0 0.0 4.54 847 790 A 76 LEU HD2% A 76 LEU HB2 1.0 0.0 3.90 848 790 A 76 LEU HB3 A 76 LEU HD2% 1.0 0.0 3.90 849 791 A 3 ARG HA A 76 LEU HB2 1.0 0.0 4.81 850 791 A 3 ARG HA A 76 LEU HB3 1.0 0.0 4.81 851 792 A 3 ARG HD2 A 76 LEU HB2 1.0 0.0 5.89 852 792 A 3 ARG HD3 A 76 LEU HB2 1.0 0.0 5.89 853 792 A 76 LEU HB3 A 3 ARG HD2 1.0 0.0 5.89 854 792 A 76 LEU HB3 A 3 ARG HD3 1.0 0.0 5.89 855 793 A 77 VAL HG1% A 64 TYR HE% 1.0 0.0 5.34 856 794 A 77 VAL HG1% A 77 VAL HA 1.0 0.0 4.43 857 795 A 77 VAL HG1% A 78 SER HA 1.0 0.0 5.54 858 796 A 61 ALA HA A 77 VAL HG1% 1.0 0.0 4.45 859 797 A 6 SER HBx A 77 VAL HG1% 1.0 0.0 5.61 860 798 A 76 LEU H A 77 VAL HG2% 1.0 0.0 6.26 861 799 A 77 VAL HG2% A 77 VAL HA 1.0 0.0 4.23 862 800 A 77 VAL HG2% A 75 PHE HB3 1.0 0.0 5.01 863 801 A 77 VAL HG2% A 4 VAL HB 1.0 0.0 4.35 864 802 A 77 VAL HG2% A 14 LEU HD1% 1.0 0.0 4.61 865 803 A 61 ALA HA A 78 SER HB2 1.0 0.0 5.61 866 803 A 61 ALA HA A 78 SER HB3 1.0 0.0 5.61 867 804 A 78 SER HB2 A 80 GLU HG2 1.0 0.0 5.15 868 804 A 78 SER HB3 A 80 GLU HG2 1.0 0.0 5.15 869 804 A 80 GLU HG3 A 78 SER HB2 1.0 0.0 5.15 870 804 A 78 SER HB3 A 80 GLU HG3 1.0 0.0 5.15 871 805 A 80 GLU HBx A 78 SER HB2 1.0 0.0 5.67 872 805 A 78 SER HB3 A 80 GLU HBx 1.0 0.0 5.67 873 806 A 61 ALA HB% A 78 SER HB2 1.0 0.0 5.49 874 806 A 61 ALA HB% A 78 SER HB3 1.0 0.0 5.49 875 807 A 5 ARG HG2 A 78 SER HB2 1.0 0.0 5.75 876 807 A 5 ARG HG3 A 78 SER HB2 1.0 0.0 5.75 877 807 A 78 SER HB3 A 5 ARG HG2 1.0 0.0 5.75 878 807 A 5 ARG HG3 A 78 SER HB3 1.0 0.0 5.75 879 808 A 79 VAL HG1% A 57 ARG HA 1.0 0.0 5.26 880 809 A 79 VAL HA A 79 VAL HG1% 1.0 0.0 4.29 881 810 A 79 VAL HG1% A 8 PRO HA 1.0 0.0 4.33 882 811 A 79 VAL HG1% A 8 PRO HDx 1.0 0.0 4.89 883 812 A 79 VAL HG1% A 80 GLU HG2 1.0 0.0 6.30 884 812 A 79 VAL HG1% A 80 GLU HG3 1.0 0.0 6.30 885 813 A 79 VAL HG2% A 78 SER HA 1.0 0.0 5.95 886 814 A 79 VAL HA A 79 VAL HG2% 1.0 0.0 4.35 887 815 A 79 VAL HG2% A 61 ALA HA 1.0 0.0 4.99 888 816 A 6 SER HBx A 79 VAL HG2% 1.0 0.0 4.60 889 817 A 79 VAL HG2% A 60 ASP HBy 1.0 0.0 5.03 890 818 A 79 VAL HG2% A 61 ALA HB% 1.0 0.0 4.42 891 819 A 81 GLU H A 80 GLU HG2 1.0 0.0 5.91 892 819 A 81 GLU H A 80 GLU HG3 1.0 0.0 5.91 893 820 A 5 ARG HG2 A 80 GLU HG2 1.0 0.0 5.75 894 820 A 5 ARG HG3 A 80 GLU HG2 1.0 0.0 5.75 895 820 A 80 GLU HG3 A 5 ARG HG2 1.0 0.0 5.75 896 820 A 5 ARG HG3 A 80 GLU HG3 1.0 0.0 5.75 897 821 A 81 GLU HA A 82 PRO HD2 1.0 0.0 3.87 898 821 A 81 GLU HA A 82 PRO HD3 1.0 0.0 3.87 899 822 A 81 GLU HBy A 82 PRO HD2 1.0 0.0 5.19 900 822 A 81 GLU HBy A 82 PRO HD3 1.0 0.0 5.19 901 823 A 8 PRO HBx A 82 PRO HA 1.0 0.0 4.73 902 824 A 7 THR HA A 82 PRO HD2 1.0 0.0 6.30 903 824 A 7 THR HA A 82 PRO HD3 1.0 0.0 6.30 904 825 A 79 VAL HG1% A 7 THR HA 1.0 0.0 5.80 905 826 A 79 VAL HG1% A 61 ALA HB% 1.0 0.0 4.77 906 827 A 74 ILE HB A 1 MET HB2 1.0 0.0 4.94 907 827 A 1 MET HB3 A 74 ILE HB 1.0 0.0 4.94 908 828 A 74 ILE HD1% A 1 MET HB2 1.0 0.0 5.52 909 828 A 1 MET HB3 A 74 ILE HD1% 1.0 0.0 5.52 910 829 A 1 MET HA A 1 MET HE% 1.0 0.0 6.30 911 830 A 74 ILE HA A 1 MET HE% 1.0 0.0 6.30 912 831 A 1 MET HA A 2 THR HB 1.0 0.0 6.30 913 832 A 3 ARG HBy A 76 LEU HD1% 1.0 0.0 6.30 914 833 A 4 VAL H A 3 ARG HBx 1.0 0.0 6.30 915 834 A 3 ARG HGy A 76 LEU HD1% 1.0 0.0 6.30 916 835 A 3 ARG HGy A 76 LEU HD2% 1.0 0.0 6.30 917 836 A 53 VAL HG1% A 39 ARG HG2 1.0 0.0 6.18 918 836 A 39 ARG HG3 A 53 VAL HG1% 1.0 0.0 6.18 919 837 A 12 LEU HD1% A 4 VAL HB 1.0 0.0 6.30 920 838 A 77 VAL HG1% A 4 VAL HB 1.0 0.0 5.29 921 839 A 4 VAL HG2% A 14 LEU HD1% 1.0 0.0 5.94 922 840 A 4 VAL HG1% A 14 LEU H 1.0 0.0 6.30 923 841 A 4 VAL HG1% A 78 SER H 1.0 0.0 6.30 924 842 A 4 VAL HG1% A 6 SER HA 1.0 0.0 6.30 925 843 A 4 VAL HG1% A 5 ARG HG2 1.0 0.0 6.24 926 843 A 4 VAL HG1% A 5 ARG HG3 1.0 0.0 6.24 927 844 A 4 VAL HG1% A 6 SER HBx 1.0 0.0 6.30 928 845 A 7 THR HG2% A 82 PRO HD2 1.0 0.0 5.37 929 845 A 7 THR HG2% A 82 PRO HD3 1.0 0.0 5.37 930 846 A 7 THR HG2% A 81 GLU HA 1.0 0.0 5.94 931 847 A 7 THR HG2% A 6 SER HA 1.0 0.0 6.30 932 848 A 8 PRO HA A 9 GLY HAx 1.0 0.0 5.71 933 849 A 8 PRO HA A 57 ARG HA 1.0 0.0 5.93 934 850 A 79 VAL HG1% A 8 PRO HBx 1.0 0.0 6.26 935 851 A 7 THR HG2% A 8 PRO HBx 1.0 0.0 5.60 936 852 A 7 THR HG2% A 8 PRO HGy 1.0 0.0 6.30 937 853 A 79 VAL HG1% A 8 PRO HDy 1.0 0.0 5.65 938 854 A 8 PRO HDy A 7 THR HB 1.0 0.0 5.43 939 855 A 8 PRO HA A 9 GLY HAy 1.0 0.0 5.48 940 856 A 9 GLY HAx A 10 GLY HAy 1.0 0.0 5.84 941 857 A 9 GLY HAx A 10 GLY HAx 1.0 0.0 5.17 942 858 A 56 ALA HB% A 10 GLY HAx 1.0 0.0 6.27 943 859 A 56 ALA HB% A 11 ASP HB2 1.0 0.0 6.30 944 859 A 56 ALA HB% A 11 ASP HB3 1.0 0.0 6.30 945 860 A 52 ARG HGy A 11 ASP HB2 1.0 0.0 6.30 946 860 A 11 ASP HB3 A 52 ARG HGy 1.0 0.0 6.30 947 861 A 12 LEU HBy A 14 LEU HD2% 1.0 0.0 6.30 948 862 A 12 LEU HBy A 14 LEU HG 1.0 0.0 6.20 949 863 A 77 VAL HG2% A 12 LEU HBy 1.0 0.0 6.30 950 864 A 12 LEU HBy A 52 ARG HA 1.0 0.0 6.30 951 865 A 12 LEU HBy A 53 VAL HA 1.0 0.0 6.30 952 866 A 6 SER HBx A 12 LEU HBx 1.0 0.0 6.30 953 867 A 4 VAL HG1% A 12 LEU HBx 1.0 0.0 6.30 954 868 A 77 VAL HG2% A 12 LEU HBx 1.0 0.0 6.30 955 869 A 12 LEU HG A 14 LEU HD2% 1.0 0.0 6.01 956 870 A 53 VAL HB A 12 LEU HG 1.0 0.0 5.70 957 871 A 53 VAL HB A 12 LEU HD1% 1.0 0.0 5.49 958 872 A 13 GLU HBy A 12 LEU HD1% 1.0 0.0 6.30 959 873 A 12 LEU HD1% A 13 GLU HGy 1.0 0.0 6.30 960 874 A 12 LEU HD1% A 6 SER HA 1.0 0.0 6.30 961 875 A 12 LEU HD1% A 77 VAL HA 1.0 0.0 6.30 962 876 A 12 LEU HD1% A 14 LEU H 1.0 0.0 6.30 963 877 A 53 VAL HA A 12 LEU HD2% 1.0 0.0 6.30 964 878 A 53 VAL HB A 12 LEU HD2% 1.0 0.0 5.33 965 879 A 77 VAL HG2% A 12 LEU HD2% 1.0 0.0 4.47 966 880 A 60 ASP HBx A 12 LEU HD2% 1.0 0.0 6.30 967 881 A 61 ALA HA A 12 LEU HD2% 1.0 0.0 6.30 968 882 A 13 GLU H A 12 LEU HD2% 1.0 0.0 6.30 969 883 A 53 VAL H A 12 LEU HD2% 1.0 0.0 6.30 970 884 A 14 LEU H A 12 LEU HD2% 1.0 0.0 6.30 971 885 A 64 TYR H A 12 LEU HD2% 1.0 0.0 6.30 972 886 A 13 GLU HBy A 52 ARG HGy 1.0 0.0 5.61 973 887 A 50 VAL HG2% A 13 GLU HBx 1.0 0.0 6.30 974 888 A 12 LEU HG A 13 GLU HBx 1.0 0.0 6.30 975 889 A 13 GLU HGy A 52 ARG HGx 1.0 0.0 6.28 976 890 A 13 GLU HGy A 52 ARG HGy 1.0 0.0 6.30 977 891 A 75 PHE HE% A 14 LEU HBx 1.0 0.0 6.30 978 892 A 14 LEU HD1% A 27 TRP HE3 1.0 0.0 6.30 979 893 A 14 LEU HD1% A 51 LEU HBx 1.0 0.0 6.15 980 894 A 14 LEU HD1% A 14 LEU HA 1.0 0.0 6.30 981 895 A 14 LEU H A 15 VAL HG2% 1.0 0.0 6.30 982 896 A 49 GLN H A 16 VAL HG1% 1.0 0.0 6.30 983 897 A 16 VAL HG1% A 17 HIS HA 1.0 0.0 6.30 984 898 A 16 VAL HG1% A 17 HIS HBy 1.0 0.0 6.30 985 899 A 16 VAL HG1% A 73 ARG HDx 1.0 0.0 6.30 986 900 A 15 VAL HA A 16 VAL HG2% 1.0 0.0 6.30 987 901 A 16 VAL HG2% A 15 VAL HG1% 1.0 0.0 6.14 988 902 A 16 VAL HG2% A 18 LEU HD2% 1.0 0.0 6.30 989 903 A 14 LEU HD2% A 16 VAL HG2% 1.0 0.0 6.30 990 904 A 16 VAL HG2% A 51 LEU HBy 1.0 0.0 6.30 991 905 A 14 LEU HD1% A 16 VAL HG2% 1.0 0.0 6.27 992 906 A 14 LEU HBx A 16 VAL HG2% 1.0 0.0 6.30 993 907 A 16 VAL HB A 49 GLN HBy 1.0 0.0 5.85 994 908 A 75 PHE HE% A 16 VAL HB 1.0 0.0 6.30 995 909 A 16 VAL HB A 75 PHE HZ 1.0 0.0 6.30 996 910 A 49 GLN H A 16 VAL HB 1.0 0.0 6.30 997 911 A 18 LEU H A 18 LEU HD1% 1.0 0.0 6.14 998 912 A 49 GLN HE2y A 18 LEU HD1% 1.0 0.0 6.06 999 913 A 49 GLN HE2x A 18 LEU HD1% 1.0 0.0 6.30 1000 914 A 18 LEU H A 18 LEU HD2% 1.0 0.0 6.30 1001 915 A 18 LEU HBy A 19 SER HB2 1.0 0.0 6.30 1002 915 A 18 LEU HBy A 19 SER HB3 1.0 0.0 6.30 1003 916 A 20 GLY HAy A 21 PRO HG2 1.0 0.0 6.01 1004 916 A 20 GLY HAy A 21 PRO HG3 1.0 0.0 6.01 1005 917 A 20 GLY HAx A 21 PRO HBx 1.0 0.0 6.30 1006 918 A 20 GLY HAx A 21 PRO HG2 1.0 0.0 6.30 1007 918 A 20 GLY HAx A 21 PRO HG3 1.0 0.0 6.30 1008 919 A 8 PRO HDx A 80 GLU HA 1.0 0.0 6.30 1009 920 A 8 PRO HDx A 81 GLU HA 1.0 0.0 6.24 1010 921 A 29 LYS HB3 A 34 LEU HD1% 1.0 0.0 5.80 1011 922 A 25 VAL HG1% A 49 GLN HBy 1.0 0.0 6.12 1012 923 A 28 TYR HE% A 26 ARG HG2 1.0 0.0 6.30 1013 923 A 26 ARG HG3 A 28 TYR HE% 1.0 0.0 6.30 1014 924 A 28 TYR HE% A 26 ARG HD2 1.0 0.0 6.30 1015 924 A 28 TYR HE% A 26 ARG HD3 1.0 0.0 6.30 1016 925 A 26 ARG H A 26 ARG HD2 1.0 0.0 6.30 1017 925 A 26 ARG H A 26 ARG HD3 1.0 0.0 6.30 1018 926 A 27 TRP H A 26 ARG HD2 1.0 0.0 6.30 1019 926 A 27 TRP H A 26 ARG HD3 1.0 0.0 6.30 1020 927 A 42 LEU HD2% A 27 TRP HBy 1.0 0.0 6.24 1021 928 A 27 TRP HBy A 40 VAL HG1% 1.0 0.0 6.30 1022 929 A 42 LEU HD1% A 27 TRP HBy 1.0 0.0 6.30 1023 930 A 29 LYS HB2 A 29 LYS HEx 1.0 0.0 6.30 1024 931 A 29 LYS HB2 A 29 LYS HEy 1.0 0.0 6.30 1025 932 A 64 TYR HA A 29 LYS HB3 1.0 0.0 6.30 1026 933 A 30 ASP H A 29 LYS HDy 1.0 0.0 6.30 1027 934 A 29 LYS HDx A 64 TYR HE% 1.0 0.0 6.25 1028 935 A 13 GLU HA A 52 ARG HGx 1.0 0.0 6.22 1029 936 A 29 LYS HDx A 62 GLY HAy 1.0 0.0 6.30 1030 937 A 29 LYS HGy A 30 ASP HBy 1.0 0.0 6.30 1031 938 A 29 LYS HGx A 30 ASP HBx 1.0 0.0 6.30 1032 939 A 34 LEU HD2% A 32 GLU HBx 1.0 0.0 6.24 1033 940 A 32 GLU HA A 33 ARG HB3 1.0 0.0 6.30 1034 941 A 32 GLU HA A 33 ARG HB2 1.0 0.0 6.30 1035 942 A 28 TYR HE% A 33 ARG HGx 1.0 0.0 6.30 1036 943 A 32 GLU HA A 33 ARG HGx 1.0 0.0 6.30 1037 944 A 33 ARG HGx A 26 ARG HD2 1.0 0.0 6.11 1038 944 A 33 ARG HGx A 26 ARG HD3 1.0 0.0 6.11 1039 945 A 32 GLU HBx A 33 ARG HD2 1.0 0.0 6.30 1040 945 A 32 GLU HBx A 33 ARG HD3 1.0 0.0 6.30 1041 946 A 14 LEU HD1% A 34 LEU HD1% 1.0 0.0 5.66 1042 947 A 34 LEU HA A 34 LEU HD1% 1.0 0.0 5.23 1043 948 A 37 GLN H A 34 LEU HD1% 1.0 0.0 6.15 1044 949 A 34 LEU HD2% A 29 LYS HGx 1.0 0.0 5.69 1045 950 A 34 LEU HD2% A 51 LEU HG 1.0 0.0 6.30 1046 951 A 34 LEU HD2% A 51 LEU HD2% 1.0 0.0 6.30 1047 952 A 34 LEU HD2% A 35 ALA HB% 1.0 0.0 5.35 1048 953 A 40 VAL HG1% A 36 SER HBy 1.0 0.0 6.30 1049 954 A 42 LEU HD1% A 36 SER HBy 1.0 0.0 6.30 1050 955 A 36 SER HBy A 42 LEU HG 1.0 0.0 5.70 1051 956 A 36 SER HBx A 41 GLN HA 1.0 0.0 6.30 1052 957 A 35 ALA HB% A 37 GLN HBy 1.0 0.0 5.86 1053 958 A 53 VAL HG1% A 39 ARG HD2 1.0 0.0 6.30 1054 958 A 53 VAL HG1% A 39 ARG HD3 1.0 0.0 6.30 1055 959 A 39 ARG HA A 39 ARG HD2 1.0 0.0 6.30 1056 959 A 39 ARG HA A 39 ARG HD3 1.0 0.0 6.30 1057 960 A 40 VAL HG2% A 51 LEU HD2% 1.0 0.0 5.34 1058 961 A 52 ARG HBx A 41 GLN HBy 1.0 0.0 5.40 1059 962 A 42 LEU HBy A 41 GLN HA 1.0 0.0 6.30 1060 963 A 42 LEU HG A 41 GLN HA 1.0 0.0 6.30 1061 964 A 42 LEU HD1% A 35 ALA H 1.0 0.0 6.30 1062 965 A 42 LEU HD1% A 27 TRP H 1.0 0.0 6.30 1063 966 A 43 GLU H A 43 GLU HGx 1.0 0.0 6.30 1064 967 A 45 ALA H A 44 GLN HB2 1.0 0.0 6.30 1065 967 A 45 ALA H A 44 GLN HB3 1.0 0.0 6.30 1066 968 A 45 ALA HB% A 48 ARG HD2 1.0 0.0 5.84 1067 968 A 45 ALA HB% A 48 ARG HD3 1.0 0.0 5.84 1068 969 A 50 VAL HG1% A 16 VAL H 1.0 0.0 6.30 1069 970 A 50 VAL HG1% A 43 GLU H 1.0 0.0 6.30 1070 971 A 50 VAL HG2% A 43 GLU HGy 1.0 0.0 6.30 1071 972 A 25 VAL HG2% A 49 GLN HBx 1.0 0.0 6.30 1072 973 A 49 GLN HBx A 50 VAL HG2% 1.0 0.0 6.30 1073 974 A 50 VAL HG2% A 48 ARG HD2 1.0 0.0 5.61 1074 974 A 50 VAL HG2% A 48 ARG HD3 1.0 0.0 5.61 1075 975 A 51 LEU HBx A 64 TYR HE% 1.0 0.0 6.30 1076 976 A 51 LEU HBy A 27 TRP HZ3 1.0 0.0 6.30 1077 977 A 27 TRP HH2 A 51 LEU HG 1.0 0.0 6.30 1078 978 A 51 LEU HG A 29 LYS HB3 1.0 0.0 6.30 1079 979 A 51 LEU HG A 34 LEU HBx 1.0 0.0 6.30 1080 980 A 27 TRP HBx A 51 LEU HG 1.0 0.0 6.26 1081 981 A 40 VAL HA A 51 LEU HD2% 1.0 0.0 6.30 1082 982 A 51 LEU HD2% A 53 VAL HA 1.0 0.0 6.30 1083 983 A 51 LEU HD2% A 27 TRP HE3 1.0 0.0 6.30 1084 984 A 50 VAL HG1% A 52 ARG HBy 1.0 0.0 6.30 1085 985 A 13 GLU HBy A 52 ARG HBx 1.0 0.0 6.30 1086 986 A 13 GLU HGy A 52 ARG HBx 1.0 0.0 6.30 1087 987 A 41 GLN HGx A 52 ARG HBx 1.0 0.0 6.30 1088 988 A 53 VAL H A 52 ARG HGy 1.0 0.0 6.30 1089 989 A 52 ARG H A 52 ARG HGy 1.0 0.0 6.30 1090 990 A 53 VAL HG1% A 60 ASP HBx 1.0 0.0 6.07 1091 991 A 41 GLN H A 53 VAL HG1% 1.0 0.0 6.09 1092 992 A 53 VAL HG1% A 57 ARG H 1.0 0.0 6.30 1093 993 A 41 GLN H A 53 VAL HG2% 1.0 0.0 6.30 1094 994 A 52 ARG H A 53 VAL HG2% 1.0 0.0 6.30 1095 995 A 40 VAL HA A 39 ARG HBy 1.0 0.0 6.30 1096 996 A 53 VAL HA A 39 ARG HBy 1.0 0.0 6.30 1097 997 A 16 VAL HG2% A 49 GLN HBx 1.0 0.0 5.93 1098 998 A 18 LEU HD2% A 49 GLN HGy 1.0 0.0 6.16 1099 999 A 49 GLN HGy A 25 VAL HA 1.0 0.0 6.30 1100 1000 A 49 GLN HA A 50 VAL HB 1.0 0.0 6.30 1101 1001 A 50 VAL HG1% A 52 ARG HD2 1.0 0.0 6.23 1102 1001 A 50 VAL HG1% A 52 ARG HD3 1.0 0.0 6.23 1103 1002 A 51 LEU HBx A 27 TRP HZ3 1.0 0.0 6.30 1104 1003 A 14 LEU HBx A 51 LEU HBy 1.0 0.0 5.94 1105 1004 A 14 LEU HD1% A 51 LEU HBy 1.0 0.0 5.87 1106 1005 A 14 LEU HBy A 51 LEU HG 1.0 0.0 6.30 1107 1006 A 29 LYS HB2 A 51 LEU HG 1.0 0.0 6.30 1108 1007 A 52 ARG HA A 53 VAL HG2% 1.0 0.0 5.99 1109 1008 A 53 VAL HG2% A 64 TYR HE% 1.0 0.0 5.72 1110 1009 A 53 VAL HG1% A 60 ASP HBy 1.0 0.0 6.30 1111 1010 A 56 ALA HB% A 55 GLY HAx 1.0 0.0 6.30 1112 1011 A 54 GLN HA A 55 GLY HAx 1.0 0.0 6.30 1113 1012 A 54 GLN HA A 55 GLY HAy 1.0 0.0 6.08 1114 1013 A 56 ALA HA A 55 GLY HAy 1.0 0.0 6.14 1115 1014 A 56 ALA HA A 57 ARG HA 1.0 0.0 6.29 1116 1015 A 61 ALA HA A 62 GLY HAy 1.0 0.0 6.30 1117 1016 A 56 ALA HB% A 57 ARG HA 1.0 0.0 6.30 1118 1017 A 56 ALA HB% A 55 GLY HAy 1.0 0.0 6.30 1119 1018 A 56 ALA HB% A 57 ARG HBx 1.0 0.0 6.30 1120 1019 A 56 ALA HB% A 57 ARG HBy 1.0 0.0 6.12 1121 1020 A 75 PHE HE% A 15 VAL HB 1.0 0.0 6.30 1122 1021 A 8 PRO HA A 57 ARG HBx 1.0 0.0 6.30 1123 1022 A 79 VAL HG2% A 57 ARG HG2 1.0 0.0 6.30 1124 1022 A 79 VAL HG2% A 57 ARG HG3 1.0 0.0 6.30 1125 1023 A 56 ALA HA A 60 ASP HBy 1.0 0.0 6.30 1126 1024 A 65 LEU HG A 28 TYR HB2 1.0 0.0 6.25 1127 1025 A 65 LEU HD1% A 67 ASP HB3 1.0 0.0 5.84 1128 1026 A 65 LEU HD2% A 67 ASP HA 1.0 0.0 6.30 1129 1027 A 25 VAL HG2% A 69 PRO HDy 1.0 0.0 6.14 1130 1028 A 74 ILE H A 73 ARG HB2 1.0 0.0 6.30 1131 1028 A 73 ARG HB3 A 74 ILE H 1.0 0.0 6.30 1132 1029 A 18 LEU HD1% A 73 ARG HG2 1.0 0.0 5.53 1133 1029 A 73 ARG HG3 A 18 LEU HD1% 1.0 0.0 5.53 1134 1030 A 65 LEU HA A 74 ILE HG1y 1.0 0.0 6.30 1135 1031 A 65 LEU HA A 74 ILE HG2% 1.0 0.0 6.06 1136 1032 A 63 GLU HB3 A 74 ILE HG2% 1.0 0.0 5.30 1137 1033 A 3 ARG HA A 75 PHE HB3 1.0 0.0 6.30 1138 1034 A 75 PHE HB3 A 76 LEU HA 1.0 0.0 6.30 1139 1035 A 76 LEU H A 76 LEU HD1% 1.0 0.0 6.27 1140 1036 A 76 LEU HD2% A 3 ARG HD2 1.0 0.0 5.91 1141 1036 A 76 LEU HD2% A 3 ARG HD3 1.0 0.0 5.91 1142 1037 A 2 THR HG2% A 77 VAL HG2% 1.0 0.0 6.28 1143 1038 A 77 VAL HG1% A 64 TYR H 1.0 0.0 6.30 1144 1039 A 62 GLY HAy A 29 LYS HEy 1.0 0.0 5.49 1145 1040 A 40 VAL HA A 41 GLN HBx 1.0 0.0 5.99 1146 1041 A 40 VAL HA A 41 GLN HGy 1.0 0.0 5.88 1147 1042 A 40 VAL HA A 41 GLN HGx 1.0 0.0 6.02 1148 1043 A 4 VAL HG1% A 14 LEU HBx 1.0 0.0 6.28 1149 1044 A 4 VAL HG1% A 5 ARG HA 1.0 0.0 6.05 1150 1045 A 77 VAL HG1% A 6 SER HBy 1.0 0.0 5.94 1151 1046 A 7 THR H A 6 SER HBy 1.0 0.0 6.30 1152 1047 A 79 VAL HA A 7 THR HG2% 1.0 0.0 6.30 1153 1048 A 7 THR HG2% A 80 GLU HA 1.0 0.0 6.30 1154 1049 A 11 ASP HA A 12 LEU HBx 1.0 0.0 6.06 1155 1050 A 11 ASP HA A 55 GLY HAx 1.0 0.0 6.26 1156 1051 A 14 LEU HD1% A 12 LEU HD2% 1.0 0.0 4.96 1157 1052 A 14 LEU HA A 15 VAL HG1% 1.0 0.0 5.94 1158 1053 A 14 LEU HA A 13 GLU HBx 1.0 0.0 5.74 1159 1054 A 14 LEU HA A 15 VAL HB 1.0 0.0 5.97 1160 1055 A 15 VAL HG1% A 17 HIS HD2 1.0 0.0 6.08 1161 1056 A 15 VAL HG1% A 16 VAL HA 1.0 0.0 6.30 1162 1057 A 18 LEU HG A 16 VAL HA 1.0 0.0 5.93 1163 1058 A 16 VAL HG1% A 18 LEU HA 1.0 0.0 6.30 1164 1059 A 18 LEU HD1% A 18 LEU HA 1.0 0.0 6.30 1165 1060 A 18 LEU HD2% A 73 ARG HB2 1.0 0.0 4.97 1166 1060 A 73 ARG HB3 A 18 LEU HD2% 1.0 0.0 4.97 1167 1061 A 18 LEU HBy A 20 GLY HAy 1.0 0.0 6.18 1168 1062 A 50 VAL H A 43 GLU HBy 1.0 0.0 6.30 1169 1063 A 43 GLU HBy A 50 VAL HG2% 1.0 0.0 6.30 1170 1064 A 50 VAL HG1% A 43 GLU HBy 1.0 0.0 6.09 1171 1065 A 28 TYR HA A 34 LEU HD2% 1.0 0.0 5.76 1172 1066 A 27 TRP H A 28 TYR HA 1.0 0.0 6.10 1173 1067 A 29 LYS HEx A 60 ASP HA 1.0 0.0 5.73 1174 1068 A 29 LYS H A 29 LYS HGx 1.0 0.0 6.30 1175 1069 A 42 LEU HD2% A 34 LEU HG 1.0 0.0 5.37 1176 1070 A 29 LYS HA A 34 LEU HG 1.0 0.0 6.16 1177 1071 A 36 SER HA A 42 LEU HG 1.0 0.0 5.80 1178 1072 A 36 SER HBy A 42 LEU HBy 1.0 0.0 6.14 1179 1073 A 36 SER HBy A 41 GLN HA 1.0 0.0 5.66 1180 1074 A 39 ARG HBx A 40 VAL HG2% 1.0 0.0 6.30 1181 1075 A 40 VAL HB A 34 LEU HBy 1.0 0.0 5.97 1182 1076 A 42 LEU HD2% A 40 VAL HG2% 1.0 0.0 5.73 1183 1077 A 42 LEU HD2% A 42 LEU HA 1.0 0.0 4.32 1184 1078 A 42 LEU HD1% A 51 LEU HBx 1.0 0.0 6.30 1185 1079 A 42 LEU HD2% A 34 LEU HBy 1.0 0.0 6.03 1186 1080 A 42 LEU HD2% A 41 GLN HA 1.0 0.0 6.30 1187 1081 A 36 SER HA A 42 LEU HD1% 1.0 0.0 6.16 1188 1082 A 43 GLU HBy A 45 ALA HB% 1.0 0.0 5.10 1189 1083 A 48 ARG HBy A 50 VAL HG2% 1.0 0.0 6.30 1190 1084 A 18 LEU HD2% A 49 GLN HGx 1.0 0.0 6.30 1191 1085 A 50 VAL HG1% A 51 LEU HA 1.0 0.0 6.30 1192 1086 A 50 VAL HG1% A 52 ARG H 1.0 0.0 6.30 1193 1087 A 50 VAL HA A 52 ARG HGx 1.0 0.0 5.86 1194 1088 A 50 VAL HA A 15 VAL HA 1.0 0.0 4.88 1195 1089 A 52 ARG HA A 13 GLU HBx 1.0 0.0 6.25 1196 1090 A 53 VAL HB A 52 ARG HA 1.0 0.0 6.30 1197 1091 A 52 ARG HA A 51 LEU HD1% 1.0 0.0 6.30 1198 1092 A 13 GLU HGx A 52 ARG HGy 1.0 0.0 5.92 1199 1093 A 39 ARG HBx A 53 VAL HG1% 1.0 0.0 5.39 1200 1094 A 79 VAL HG1% A 60 ASP HBy 1.0 0.0 6.30 1201 1095 A 61 ALA HB% A 77 VAL HG1% 1.0 0.0 5.30 1202 1096 A 61 ALA HB% A 62 GLY HAx 1.0 0.0 5.46 1203 1097 A 63 GLU HB2 A 62 GLY HAx 1.0 0.0 6.00 1204 1098 A 63 GLU H A 63 GLU HGx 1.0 0.0 6.30 1205 1099 A 67 ASP HB2 A 65 LEU HD2% 1.0 0.0 6.30 1206 1100 A 28 TYR H A 65 LEU HA 1.0 0.0 6.13 1207 1101 A 65 LEU HA A 74 ILE HG1x 1.0 0.0 5.62 1208 1102 A 16 VAL HG1% A 66 CYS HA 1.0 0.0 5.54 1209 1103 A 74 ILE HD1% A 1 MET HE% 1.0 0.0 5.74 1210 1104 A 1 MET HGx A 74 ILE HD1% 1.0 0.0 5.89 1211 1105 A 74 ILE HD1% A 1 MET HGy 1.0 0.0 6.30 1212 1106 A 74 ILE HG2% A 1 MET HB2 1.0 0.0 5.38 1213 1106 A 1 MET HB3 A 74 ILE HG2% 1.0 0.0 5.38 1214 1107 A 75 PHE H A 74 ILE HG1x 1.0 0.0 6.30 1215 1108 A 75 PHE HA A 2 THR HG2% 1.0 0.0 5.92 1216 1109 A 75 PHE HA A 4 VAL HG2% 1.0 0.0 5.88 1217 1110 A 75 PHE HA A 76 LEU HG 1.0 0.0 6.30 1218 1111 A 75 PHE HA A 76 LEU HB2 1.0 0.0 6.23 1219 1111 A 75 PHE HA A 76 LEU HB3 1.0 0.0 6.23 1220 1112 A 1 MET HGy A 76 LEU HD2% 1.0 0.0 5.73 1221 1113 A 64 TYR H A 76 LEU HA 1.0 0.0 5.76 1222 1114 A 63 GLU HGy A 76 LEU HG 1.0 0.0 6.30 1223 1115 A 77 VAL HG1% A 64 TYR HD% 1.0 0.0 6.30 1224 1116 A 61 ALA HB% A 77 VAL HB 1.0 0.0 6.20 1225 1117 A 79 VAL HG2% A 62 GLY HAx 1.0 0.0 6.30 1226 1118 A 79 VAL HG2% A 6 SER HA 1.0 0.0 6.30 1227 1119 A 79 VAL HG2% A 57 ARG HA 1.0 0.0 6.30 1228 1120 A 5 ARG HD2 A 80 GLU HG2 1.0 0.0 6.30 1229 1120 A 5 ARG HD3 A 80 GLU HG2 1.0 0.0 6.30 1230 1120 A 80 GLU HG3 A 5 ARG HD2 1.0 0.0 6.30 1231 1120 A 80 GLU HG3 A 5 ARG HD3 1.0 0.0 6.30 1232 1121 A 8 PRO HDy A 81 GLU HA 1.0 0.0 6.30 1233 1122 A 81 GLU HBx A 82 PRO HD2 1.0 0.0 5.74 1234 1122 A 81 GLU HBx A 82 PRO HD3 1.0 0.0 5.74 1235 1123 A 7 THR HG2% A 82 PRO HBy 1.0 0.0 5.72 1236 1124 A 48 ARG H A 46 GLY HAy 1.0 0.0 5.95 1237 1125 A 65 LEU HG A 67 ASP HB2 1.0 0.0 5.79 1238 1126 A 18 LEU HD2% A 68 ALA HB% 1.0 0.0 4.27 1239 1127 A 25 VAL HG2% A 68 ALA HB% 1.0 0.0 4.30 1240 1128 A 68 ALA HB% A 71 ASP HB2 1.0 0.0 5.05 1241 1128 A 68 ALA HB% A 71 ASP HB3 1.0 0.0 5.05 1242 1129 A 68 ALA HB% A 25 VAL HB 1.0 0.0 5.70 1243 1130 A 68 ALA HB% A 69 PRO HDx 1.0 0.0 4.60 1244 1131 A 68 ALA HB% A 69 PRO HDy 1.0 0.0 4.95 1245 1132 A 68 ALA HB% A 25 VAL HA 1.0 0.0 6.21 1246 1133 A 68 ALA HA A 25 VAL HA 1.0 0.0 5.19 1247 1134 A 25 VAL HG1% A 66 CYS HA 1.0 0.0 5.75 1248 1135 A 16 VAL HG2% A 66 CYS HBy 1.0 0.0 5.75 1249 1136 A 16 VAL HG2% A 66 CYS HBx 1.0 0.0 5.75 1250 1137 A 66 CYS HBx A 73 ARG HB2 1.0 0.0 5.94 1251 1137 A 73 ARG HB3 A 66 CYS HBx 1.0 0.0 5.94 1252 1138 A 52 ARG HBy A 51 LEU HD1% 1.0 0.0 5.59 1253 1139 A 64 TYR H A 76 LEU HD2% 1.0 0.0 6.30 1254 1140 A 23 GLY HA3 A 24 PRO HBx 1.0 0.0 6.03 1255 1141 A 17 HIS HE1 A 48 ARG HD2 1.0 0.0 4.57 1256 1141 A 48 ARG HD3 A 17 HIS HE1 1.0 0.0 4.57 1257 1142 A 15 VAL HG1% A 17 HIS HE1 1.0 0.0 4.35 1258 1143 A 75 PHE HD% A 27 TRP HZ3 1.0 0.0 4.51 1259 1144 A 64 TYR HBx A 27 TRP HZ3 1.0 0.0 4.91 1260 1145 A 14 LEU HD1% A 27 TRP HZ3 1.0 0.0 4.36 1261 1146 A 27 TRP H A 27 TRP HD1 1.0 0.0 4.51 1262 1147 A 27 TRP HBx A 27 TRP HD1 1.0 0.0 4.08 1263 1148 A 42 LEU HBx A 27 TRP HD1 1.0 0.0 4.65 1264 1149 A 42 LEU HD1% A 27 TRP HD1 1.0 0.0 3.70 1265 1150 A 42 LEU HD2% A 27 TRP HD1 1.0 0.0 4.19 1266 1151 A 27 TRP HBy A 27 TRP HE3 1.0 0.0 4.21 1267 1152 A 64 TYR HBx A 27 TRP HE3 1.0 0.0 4.61 1268 1153 A 34 LEU HG A 27 TRP HE3 1.0 0.0 4.91 1269 1154 A 51 LEU HG A 27 TRP HE3 1.0 0.0 4.64 1270 1155 A 50 VAL HA A 27 TRP HZ2 1.0 0.0 4.71 1271 1156 A 49 GLN HBy A 27 TRP HZ2 1.0 0.0 4.04 1272 1157 A 49 GLN HBx A 27 TRP HZ2 1.0 0.0 3.95 1273 1158 A 16 VAL HG2% A 27 TRP HZ2 1.0 0.0 4.42 1274 1159 A 16 VAL HG1% A 27 TRP HZ2 1.0 0.0 4.90 1275 1160 A 14 LEU HD1% A 27 TRP HZ2 1.0 0.0 4.90 1276 1161 A 28 TYR HE% A 32 GLU HA 1.0 0.0 4.53 1277 1162 A 33 ARG HA A 28 TYR HE% 1.0 0.0 4.82 1278 1163 A 67 ASP HB2 A 28 TYR HE% 1.0 0.0 3.82 1279 1164 A 28 TYR HE% A 67 ASP HB3 1.0 0.0 3.98 1280 1165 A 28 TYR HE% A 26 ARG HBy 1.0 0.0 3.85 1281 1166 A 28 TYR HE% A 33 ARG HB3 1.0 0.0 4.77 1282 1167 A 28 TYR HE% A 65 LEU HD2% 1.0 0.0 4.44 1283 1168 A 28 TYR H A 28 TYR HD% 1.0 0.0 3.99 1284 1169 A 28 TYR HA A 28 TYR HD% 1.0 0.0 4.40 1285 1170 A 32 GLU HA A 28 TYR HD% 1.0 0.0 4.65 1286 1171 A 33 ARG HA A 28 TYR HD% 1.0 0.0 4.13 1287 1172 A 28 TYR HD% A 33 ARG HB2 1.0 0.0 3.95 1288 1173 A 33 ARG HB3 A 28 TYR HD% 1.0 0.0 4.70 1289 1174 A 28 TYR HD% A 26 ARG HG2 1.0 0.0 6.30 1290 1174 A 26 ARG HG3 A 28 TYR HD% 1.0 0.0 6.30 1291 1175 A 65 LEU HG A 28 TYR HD% 1.0 0.0 4.17 1292 1176 A 65 LEU HD2% A 28 TYR HD% 1.0 0.0 3.84 1293 1177 A 61 ALA HA A 64 TYR HE% 1.0 0.0 4.63 1294 1178 A 77 VAL HB A 64 TYR HE% 1.0 0.0 3.44 1295 1179 A 64 TYR HE% A 29 LYS HB3 1.0 0.0 4.42 1296 1180 A 77 VAL HG2% A 64 TYR HE% 1.0 0.0 3.51 1297 1181 A 64 TYR HE% A 51 LEU HD1% 1.0 0.0 3.80 1298 1182 A 12 LEU HD2% A 64 TYR HE% 1.0 0.0 4.68 1299 1183 A 29 LYS HGx A 64 TYR HE% 1.0 0.0 5.10 1300 1184 A 51 LEU HG A 64 TYR HE% 1.0 0.0 5.59 1301 1185 A 64 TYR H A 64 TYR HD% 1.0 0.0 3.65 1302 1186 A 77 VAL H A 64 TYR HD% 1.0 0.0 4.60 1303 1187 A 64 TYR HA A 64 TYR HD% 1.0 0.0 4.30 1304 1188 A 63 GLU HA A 64 TYR HD% 1.0 0.0 4.35 1305 1189 A 77 VAL HB A 64 TYR HD% 1.0 0.0 4.02 1306 1190 A 64 TYR HD% A 29 LYS HB3 1.0 0.0 4.78 1307 1191 A 77 VAL HG2% A 64 TYR HD% 1.0 0.0 3.34 1308 1192 A 51 LEU HG A 64 TYR HD% 1.0 0.0 3.98 1309 1193 A 75 PHE HE% A 73 ARG HB2 1.0 0.0 4.44 1310 1193 A 73 ARG HB3 A 75 PHE HE% 1.0 0.0 4.44 1311 1194 A 2 THR HG2% A 75 PHE HE% 1.0 0.0 4.54 1312 1195 A 75 PHE HE% A 16 VAL HG2% 1.0 0.0 3.87 1313 1196 A 75 PHE HE% A 16 VAL HG1% 1.0 0.0 4.87 1314 1197 A 75 PHE H A 75 PHE HD% 1.0 0.0 3.92 1315 1198 A 75 PHE HA A 75 PHE HD% 1.0 0.0 4.41 1316 1199 A 74 ILE HA A 75 PHE HD% 1.0 0.0 4.60 1317 1200 A 2 THR HB A 75 PHE HD% 1.0 0.0 3.93 1318 1201 A 64 TYR HBy A 75 PHE HD% 1.0 0.0 4.46 1319 1202 A 2 THR HG2% A 75 PHE HD% 1.0 0.0 3.95 1320 1203 A 4 VAL HG2% A 75 PHE HD% 1.0 0.0 3.50 1321 1204 A 74 ILE HG2% A 75 PHE HD% 1.0 0.0 5.00 1322 1205 A 77 VAL HG2% A 75 PHE HD% 1.0 0.0 5.18 1323 1206 A 14 LEU HD2% A 75 PHE HD% 1.0 0.0 4.00 1324 1207 A 14 LEU HD1% A 75 PHE HD% 1.0 0.0 4.17 1325 1208 A 65 LEU HD1% A 28 TYR HD% 1.0 0.0 5.18 1326 1209 A 28 TYR HD% A 67 ASP HB3 1.0 0.0 4.54 1327 1210 A 27 TRP HA A 28 TYR HD% 1.0 0.0 4.78 1328 1211 A 65 LEU H A 28 TYR HD% 1.0 0.0 5.44 1329 1212 A 29 LYS H A 28 TYR HD% 1.0 0.0 5.43 1330 1213 A 33 ARG H A 28 TYR HD% 1.0 0.0 4.90 1331 1214 A 27 TRP HA A 28 TYR HE% 1.0 0.0 5.11 1332 1215 A 28 TYR HA A 28 TYR HE% 1.0 0.0 5.50 1333 1216 A 28 TYR HE% A 33 ARG HD2 1.0 0.0 4.21 1334 1216 A 28 TYR HE% A 33 ARG HD3 1.0 0.0 4.21 1335 1217 A 63 GLU HB3 A 64 TYR HD% 1.0 0.0 5.37 1336 1218 A 75 PHE HB2 A 64 TYR HD% 1.0 0.0 5.31 1337 1219 A 14 LEU HD1% A 64 TYR HD% 1.0 0.0 4.15 1338 1220 A 64 TYR HD% A 51 LEU HD1% 1.0 0.0 4.33 1339 1221 A 29 LYS HB2 A 64 TYR HD% 1.0 0.0 5.43 1340 1222 A 29 LYS HB2 A 64 TYR HE% 1.0 0.0 4.95 1341 1223 A 77 VAL HA A 64 TYR HE% 1.0 0.0 5.44 1342 1224 A 62 GLY H A 64 TYR HE% 1.0 0.0 4.90 1343 1225 A 77 VAL H A 64 TYR HE% 1.0 0.0 5.12 1344 1226 A 62 GLY HAy A 64 TYR HE% 1.0 0.0 4.98 1345 1227 A 2 THR H A 75 PHE HD% 1.0 0.0 5.42 1346 1228 A 66 CYS H A 75 PHE HD% 1.0 0.0 5.31 1347 1229 A 27 TRP HH2 A 75 PHE HD% 1.0 0.0 4.92 1348 1230 A 14 LEU HBx A 75 PHE HD% 1.0 0.0 5.38 1349 1231 A 75 PHE HD% A 73 ARG HB2 1.0 0.0 5.04 1350 1231 A 73 ARG HB3 A 75 PHE HD% 1.0 0.0 5.04 1351 1232 A 14 LEU HD2% A 75 PHE HE% 1.0 0.0 5.49 1352 1233 A 4 VAL HG1% A 75 PHE HE% 1.0 0.0 6.30 1353 1234 A 75 PHE HE% A 15 VAL HG2% 1.0 0.0 6.30 1354 1235 A 75 PHE HE% A 18 LEU HD1% 1.0 0.0 6.30 1355 1236 A 16 VAL HG1% A 75 PHE HZ 1.0 0.0 5.45 1356 1237 A 16 VAL HG2% A 75 PHE HZ 1.0 0.0 4.62 1357 1238 A 75 PHE HZ A 73 ARG HB2 1.0 0.0 5.33 1358 1238 A 73 ARG HB3 A 75 PHE HZ 1.0 0.0 5.33 1359 1239 A 28 TYR H A 27 TRP HE3 1.0 0.0 5.61 1360 1240 A 64 TYR HD% A 27 TRP HE3 1.0 0.0 5.28 1361 1241 A 14 LEU HBx A 27 TRP HZ3 1.0 0.0 5.57 1362 1242 A 51 LEU HG A 27 TRP HZ3 1.0 0.0 5.75 1363 1243 A 14 LEU HD2% A 27 TRP HZ3 1.0 0.0 5.74 1364 1244 A 66 CYS HBx A 27 TRP HZ3 1.0 0.0 5.32 1365 1245 A 16 VAL HG2% A 27 TRP HZ3 1.0 0.0 5.28 1366 1246 A 14 LEU HBy A 27 TRP HZ3 1.0 0.0 5.33 1367 1247 A 64 TYR HBy A 27 TRP HZ3 1.0 0.0 5.47 1368 1248 A 51 LEU HBy A 27 TRP HZ2 1.0 0.0 4.99 1369 1249 A 27 TRP HZ2 A 51 LEU HD1% 1.0 0.0 5.40 1370 1250 A 14 LEU HBy A 27 TRP HZ2 1.0 0.0 5.49 1371 1251 A 49 GLN HGy A 27 TRP HZ2 1.0 0.0 5.37 1372 1252 A 16 VAL H A 27 TRP HZ2 1.0 0.0 5.20 1373 1253 A 51 LEU H A 27 TRP HZ2 1.0 0.0 5.01 1374 1254 A 27 TRP HA A 27 TRP HD1 1.0 0.0 5.55 1375 1255 A 26 ARG HA A 27 TRP HD1 1.0 0.0 5.35 1376 1256 A 27 TRP HD1 A 26 ARG HG2 1.0 0.0 6.30 1377 1256 A 26 ARG HG3 A 27 TRP HD1 1.0 0.0 6.30 1378 1257 A 34 LEU HBy A 27 TRP HD1 1.0 0.0 6.30 1379 1258 A 25 VAL HG1% A 27 TRP HD1 1.0 0.0 5.18 1380 1259 A 27 TRP HH2 A 51 LEU HBx 1.0 0.0 5.15 1381 1260 A 14 LEU HBx A 27 TRP HH2 1.0 0.0 4.25 1382 1261 A 14 LEU HD1% A 27 TRP HH2 1.0 0.0 4.62 1383 1262 A 51 LEU HBy A 27 TRP HH2 1.0 0.0 5.07 1384 1263 A 16 VAL HG1% A 27 TRP HH2 1.0 0.0 4.68 1385 1264 A 16 VAL HG2% A 27 TRP HH2 1.0 0.0 3.95 1386 1265 A 14 LEU HBy A 27 TRP HH2 1.0 0.0 4.28 1387 1266 A 75 PHE HE% A 27 TRP HH2 1.0 0.0 4.24 1388 1267 A 17 HIS HE1 A 48 ARG HG2 1.0 0.0 5.31 1389 1267 A 48 ARG HG3 A 17 HIS HE1 1.0 0.0 5.31 1390 1268 A 27 TRP HA A 27 TRP HE3 1.0 0.0 5.25 1391 1269 A 27 TRP HZ2 A 51 LEU HBx 1.0 0.0 5.26 1392 1270 A 29 LYS HEy A 64 TYR HE% 1.0 0.0 5.06 1393 1271 A 64 TYR HE% A 29 LYS HDy 1.0 0.0 4.39 1394 1272 A 12 LEU HD1% A 64 TYR HE% 1.0 0.0 5.89 1395 1273 A 64 TYR HE% A 34 LEU HD1% 1.0 0.0 6.09 1396 1274 A 26 ARG HBx A 28 TYR HE% 1.0 0.0 4.55 1397 1275 A 51 LEU HD1% A 27 TRP HE3 1.0 0.0 5.70 1398 1276 A 51 LEU HG A 27 TRP HD1 1.0 0.0 5.87 1399 1277 A 51 LEU HD2% A 27 TRP HD1 1.0 0.0 6.10 1400 1278 A 49 GLN HBx A 27 TRP HH2 1.0 0.0 6.30 1401 1279 A 66 CYS HBy A 27 TRP HH2 1.0 0.0 6.30 1402 1280 A 61 ALA HA A 64 TYR HD% 1.0 0.0 5.39 1403 1281 A 29 LYS HA A 64 TYR HD% 1.0 0.0 5.58 1404 1282 A 62 GLY HAy A 64 TYR HD% 1.0 0.0 6.30 1405 1283 A 62 GLY H A 64 TYR HD% 1.0 0.0 5.46 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 THR C A 3 ARG N A 3 ARG CA A 3 ARG C 1.0 -154.3 -53.3 PHI 2 2 A 3 ARG N A 3 ARG CA A 3 ARG C A 4 VAL N 1.0 106.9 152.7 PSI 3 3 A 3 ARG C A 4 VAL N A 4 VAL CA A 4 VAL C 1.0 -152.0 -88.4 PHI 4 4 A 4 VAL N A 4 VAL CA A 4 VAL C A 5 ARG N 1.0 113.1 147.1 PSI 5 5 A 4 VAL C A 5 ARG N A 5 ARG CA A 5 ARG C 1.0 -145.4 -91.0 PHI 6 6 A 5 ARG N A 5 ARG CA A 5 ARG C A 6 SER N 1.0 119.6 144.6 PSI 7 7 A 11 ASP C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -132.8 -76.8 PHI 8 8 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 GLU N 1.0 101.5 152.1 PSI 9 9 A 12 LEU C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -143.6 -78.0 PHI 10 10 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 LEU N 1.0 97.8 149.8 PSI 11 11 A 13 GLU C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -128.1 -80.5 PHI 12 12 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 VAL N 1.0 107.0 157.2 PSI 13 13 A 14 LEU C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -153.1 -90.5 PHI 14 14 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 VAL N 1.0 103.9 151.5 PSI 15 15 A 15 VAL C A 16 VAL N A 16 VAL CA A 16 VAL C 1.0 -130.8 -100.8 PHI 16 16 A 16 VAL N A 16 VAL CA A 16 VAL C A 17 HIS N 1.0 105.3 146.1 PSI 17 17 A 25 VAL C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -170.1 -100.3 PHI 18 18 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 TRP N 1.0 130.0 173.4 PSI 19 19 A 26 ARG C A 27 TRP N A 27 TRP CA A 27 TRP C 1.0 -148.4 -99.2 PHI 20 20 A 27 TRP N A 27 TRP CA A 27 TRP C A 28 TYR N 1.0 107.4 174.4 PSI 21 21 A 27 TRP C A 28 TYR N A 28 TYR CA A 28 TYR C 1.0 -149.9 -111.3 PHI 22 22 A 28 TYR N A 28 TYR CA A 28 TYR C A 29 LYS N 1.0 127.0 171.0 PSI 23 23 A 28 TYR C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -162.2 -106.2 PHI 24 24 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 ASP N 1.0 102.2 144.4 PSI 25 25 A 32 GLU C A 33 ARG N A 33 ARG CA A 33 ARG C 1.0 -108.7 -58.5 PHI 26 26 A 33 ARG N A 33 ARG CA A 33 ARG C A 34 LEU N 1.0 110.6 151.6 PSI 27 27 A 33 ARG C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -153.7 -76.1 PHI 28 28 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 ALA N 1.0 125.6 161.6 PSI 29 29 A 41 GLN C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -118.4 -75.0 PHI 30 30 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 GLU N 1.0 94.1 153.9 PSI 31 31 A 42 LEU C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -164.0 -61.0 PHI 32 32 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 GLN N 1.0 99.4 171.6 PSI 33 33 A 43 GLU C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -141.7 -77.9 PHI 34 34 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 ALA N 1.0 104.5 145.5 PSI 35 35 A 49 GLN C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -159.7 -104.5 PHI 36 36 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 LEU N 1.0 111.2 168.8 PSI 37 37 A 50 VAL C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -142.6 -79.4 PHI 38 38 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 ARG N 1.0 103.6 147.4 PSI 39 39 A 51 LEU C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -146.7 -77.9 PHI 40 40 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 VAL N 1.0 108.6 160.6 PSI 41 41 A 52 ARG C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -156.0 -71.0 PHI 42 42 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 GLN N 1.0 96.5 155.3 PSI 43 43 A 62 GLY C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -136.1 -81.7 PHI 44 44 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 TYR N 1.0 104.3 143.3 PSI 45 45 A 63 GLU C A 64 TYR N A 64 TYR CA A 64 TYR C 1.0 -135.1 -95.9 PHI 46 46 A 64 TYR N A 64 TYR CA A 64 TYR C A 65 LEU N 1.0 107.3 152.5 PSI 47 47 A 64 TYR C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -154.0 -96.4 PHI 48 48 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 CYS N 1.0 102.1 156.5 PSI 49 49 A 65 LEU C A 66 CYS N A 66 CYS CA A 66 CYS C 1.0 -133.4 -74.0 PHI 50 50 A 66 CYS N A 66 CYS CA A 66 CYS C A 67 ASP N 1.0 90.9 144.7 PSI 51 51 A 72 SER C A 73 ARG N A 73 ARG CA A 73 ARG C 1.0 -154.9 -107.9 PHI 52 52 A 73 ARG N A 73 ARG CA A 73 ARG C A 74 ILE N 1.0 127.3 164.5 PSI 53 53 A 73 ARG C A 74 ILE N A 74 ILE CA A 74 ILE C 1.0 -147.1 -89.7 PHI 54 54 A 74 ILE N A 74 ILE CA A 74 ILE C A 75 PHE N 1.0 106.6 146.8 PSI 55 55 A 74 ILE C A 75 PHE N A 75 PHE CA A 75 PHE C 1.0 -139.0 -102.8 PHI 56 56 A 75 PHE N A 75 PHE CA A 75 PHE C A 76 LEU N 1.0 104.9 144.1 PSI 57 57 A 75 PHE C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -129.9 -77.1 PHI 58 58 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 VAL N 1.0 95.5 141.1 PSI 59 59 A 76 LEU C A 77 VAL N A 77 VAL CA A 77 VAL C 1.0 -139.5 -81.7 PHI 60 60 A 77 VAL N A 77 VAL CA A 77 VAL C A 78 SER N 1.0 101.0 148.6 PSI 61 61 A 77 VAL C A 78 SER N A 78 SER CA A 78 SER C 1.0 -140.3 -85.7 PHI 62 62 A 78 SER N A 78 SER CA A 78 SER C A 79 VAL N 1.0 110.2 147.2 PSI 63 63 A 78 SER C A 79 VAL N A 79 VAL CA A 79 VAL C 1.0 -146.2 -85.2 PHI 64 64 A 79 VAL N A 79 VAL CA A 79 VAL C A 80 GLU N 1.0 109.0 158.4 PSI stop_ save_