data_nef_c19314_2m9x save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code TargetDB HR9151A stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLY middle . false 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 SER middle . . 10 A 10 HIS middle . . 11 A 11 MET middle . . 12 A 12 PRO middle . false 13 A 13 LYS middle . . 14 A 14 ALA middle . . 15 A 15 THR middle . . 16 A 16 ALA middle . . 17 A 17 GLN middle . . 18 A 18 MET middle . . 19 A 19 GLU middle . . 20 A 20 GLU middle . . 21 A 21 LYS middle . . 22 A 22 LEU middle . . 23 A 23 ARG middle . . 24 A 24 ASP middle . . 25 A 25 PHE middle . . 26 A 26 THR middle . . 27 A 27 ARG middle . . 28 A 28 ALA middle . . 29 A 29 TYR middle . . 30 A 30 GLU middle . . 31 A 31 PRO middle . false 32 A 32 ASP middle . . 33 A 33 SER middle . . 34 A 34 VAL middle . . 35 A 35 LEU middle . . 36 A 36 PRO middle . false 37 A 37 LEU middle . . 38 A 38 ALA middle . . 39 A 39 ASP middle . . 40 A 40 GLY middle . false 41 A 41 VAL middle . . 42 A 42 LEU middle . . 43 A 43 SER middle . . 44 A 44 PHE middle . . 45 A 45 ILE middle . . 46 A 46 HIS middle . . 47 A 47 HIS middle . . 48 A 48 GLN middle . . 49 A 49 ILE middle . . 50 A 50 ILE middle . . 51 A 51 GLU middle . . 52 A 52 LEU middle . . 53 A 53 ALA middle . . 54 A 54 ARG middle . . 55 A 55 ASP middle . . 56 A 56 CYS middle . . 57 A 57 LEU middle . . 58 A 58 THR middle . . 59 A 59 LYS middle . . 60 A 60 SER middle . . 61 A 61 ARG middle . . 62 A 62 ASP middle . . 63 A 63 GLY middle . false 64 A 64 LEU middle . . 65 A 65 ILE middle . . 66 A 66 THR middle . . 67 A 67 THR middle . . 68 A 68 VAL middle . . 69 A 69 TYR middle . . 70 A 70 PHE middle . . 71 A 71 TYR middle . . 72 A 72 GLU middle . . 73 A 73 LEU middle . . 74 A 74 GLN middle . . 75 A 75 GLU middle . . 76 A 76 ASN middle . . 77 A 77 LEU middle . . 78 A 78 GLU middle . . 79 A 79 LYS middle . . 80 A 80 LEU middle . . 81 A 81 LEU middle . . 82 A 82 GLN middle . . 83 A 83 ASP middle . . 84 A 84 ALA middle . . 85 A 85 TYR middle . . 86 A 86 GLU middle . . 87 A 87 ARG middle . . 88 A 88 SER middle . . 89 A 89 GLU middle . . 90 A 90 SER middle . . 91 A 91 LEU middle . . 92 A 92 GLU middle . . 93 A 93 VAL middle . . 94 A 94 ALA middle . . 95 A 95 PHE middle . . 96 A 96 VAL middle . . 97 A 97 THR middle . . 98 A 98 GLN middle . . 99 A 99 LEU middle . . 100 A 100 VAL middle . . 101 A 101 LYS middle . . 102 A 102 LYS middle . . 103 A 103 LEU middle . . 104 A 104 LEU middle . . 105 A 105 ILE middle . . 106 A 106 ILE middle . . 107 A 107 ILE middle . . 108 A 108 SER middle . . 109 A 109 ARG middle . . 110 A 110 PRO middle . false 111 A 111 ALA middle . . 112 A 112 ARG end . . stop_ save_ save_hr9151a.str _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode hr9151a.str 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 10 HIS HA H 1 4.624 0.02 A 10 HIS HB2 H 1 3.102 0.02 A 10 HIS HB3 H 1 3.102 0.02 A 10 HIS CA C 13 56.220 0.4 A 10 HIS CB C 13 30.929 0.4 A 10 HIS N N 15 119.305 0.4 A 11 MET H H 1 8.242 0.02 A 11 MET HA H 1 4.720 0.02 A 11 MET HBy H 1 2.037 0.02 A 11 MET HBx H 1 1.916 0.02 A 11 MET HE% H 1 2.056 0.02 A 11 MET HGy H 1 2.502 0.02 A 11 MET HGx H 1 2.428 0.02 A 11 MET CA C 13 53.340 0.4 A 11 MET CB C 13 32.044 0.4 A 11 MET CE C 13 16.945 0.4 A 11 MET CG C 13 31.785 0.4 A 11 MET N N 15 122.753 0.4 A 13 LYS HA H 1 4.265 0.02 A 13 LYS HBy H 1 1.863 0.02 A 13 LYS HBx H 1 1.820 0.02 A 13 LYS HD2 H 1 1.685 0.02 A 13 LYS HD3 H 1 1.685 0.02 A 13 LYS HE2 H 1 2.979 0.02 A 13 LYS HE3 H 1 2.979 0.02 A 13 LYS HGy H 1 1.490 0.02 A 13 LYS HGx H 1 1.458 0.02 A 13 LYS CA C 13 57.029 0.4 A 13 LYS CB C 13 32.710 0.4 A 13 LYS CD C 13 28.982 0.4 A 13 LYS CE C 13 41.942 0.4 A 13 LYS CG C 13 24.741 0.4 A 14 ALA H H 1 8.455 0.02 A 14 ALA HA H 1 4.357 0.02 A 14 ALA HB% H 1 1.484 0.02 A 14 ALA CA C 13 53.641 0.4 A 14 ALA CB C 13 18.406 0.4 A 14 ALA N N 15 123.879 0.4 A 15 THR H H 1 8.017 0.02 A 15 THR HA H 1 4.193 0.02 A 15 THR HB H 1 4.361 0.02 A 15 THR HG2% H 1 1.245 0.02 A 15 THR C C 13 175.172 0.4 A 15 THR CA C 13 63.894 0.4 A 15 THR CB C 13 68.904 0.4 A 15 THR CG2 C 13 22.101 0.4 A 15 THR N N 15 113.403 0.4 A 16 ALA H H 1 8.147 0.02 A 16 ALA HA H 1 4.163 0.02 A 16 ALA HB% H 1 1.488 0.02 A 16 ALA C C 13 180.320 0.4 A 16 ALA CA C 13 54.792 0.4 A 16 ALA CB C 13 18.161 0.4 A 16 ALA N N 15 124.884 0.4 A 17 GLN H H 1 8.360 0.02 A 17 GLN HA H 1 4.189 0.02 A 17 GLN HBy H 1 2.175 0.02 A 17 GLN HBx H 1 2.098 0.02 A 17 GLN HE2y H 1 7.674 0.02 A 17 GLN HE2x H 1 7.005 0.02 A 17 GLN HGy H 1 2.522 0.02 A 17 GLN HGx H 1 2.392 0.02 A 17 GLN C C 13 177.935 0.4 A 17 GLN CA C 13 58.504 0.4 A 17 GLN CB C 13 28.428 0.4 A 17 GLN CG C 13 34.327 0.4 A 17 GLN N N 15 117.607 0.4 A 17 GLN NE2 N 15 112.573 0.4 A 18 MET H H 1 8.121 0.02 A 18 MET HA H 1 4.015 0.02 A 18 MET HB2 H 1 2.210 0.02 A 18 MET HB3 H 1 2.210 0.02 A 18 MET HE% H 1 2.110 0.02 A 18 MET HGy H 1 2.645 0.02 A 18 MET HGx H 1 2.265 0.02 A 18 MET C C 13 178.313 0.4 A 18 MET CA C 13 59.394 0.4 A 18 MET CB C 13 32.814 0.4 A 18 MET CE C 13 16.515 0.4 A 18 MET CG C 13 30.946 0.4 A 18 MET N N 15 120.897 0.4 A 19 GLU H H 1 8.526 0.02 A 19 GLU HA H 1 3.806 0.02 A 19 GLU HB2 H 1 1.932 0.02 A 19 GLU HB3 H 1 1.932 0.02 A 19 GLU HGy H 1 2.656 0.02 A 19 GLU HGx H 1 2.222 0.02 A 19 GLU C C 13 178.544 0.4 A 19 GLU CA C 13 60.193 0.4 A 19 GLU CB C 13 29.073 0.4 A 19 GLU CG C 13 36.598 0.4 A 19 GLU N N 15 117.750 0.4 A 20 GLU H H 1 7.976 0.02 A 20 GLU HA H 1 3.970 0.02 A 20 GLU HB2 H 1 2.174 0.02 A 20 GLU HB3 H 1 2.174 0.02 A 20 GLU HGy H 1 2.393 0.02 A 20 GLU HGx H 1 2.280 0.02 A 20 GLU C C 13 178.755 0.4 A 20 GLU CA C 13 59.508 0.4 A 20 GLU CB C 13 29.253 0.4 A 20 GLU CG C 13 35.901 0.4 A 20 GLU N N 15 119.352 0.4 A 21 LYS H H 1 8.038 0.02 A 21 LYS HA H 1 4.222 0.02 A 21 LYS HBy H 1 2.120 0.02 A 21 LYS HBx H 1 1.750 0.02 A 21 LYS HD2 H 1 1.763 0.02 A 21 LYS HD3 H 1 1.763 0.02 A 21 LYS HE2 H 1 2.978 0.02 A 21 LYS HE3 H 1 2.978 0.02 A 21 LYS HG2 H 1 1.592 0.02 A 21 LYS HG3 H 1 1.592 0.02 A 21 LYS C C 13 181.212 0.4 A 21 LYS CA C 13 59.186 0.4 A 21 LYS CB C 13 33.541 0.4 A 21 LYS CD C 13 29.317 0.4 A 21 LYS CE C 13 42.025 0.4 A 21 LYS CG C 13 25.619 0.4 A 21 LYS N N 15 117.785 0.4 A 22 LEU H H 1 8.889 0.02 A 22 LEU HA H 1 4.137 0.02 A 22 LEU HB2 H 1 1.375 0.02 A 22 LEU HB3 H 1 1.375 0.02 A 22 LEU HD1% H 1 0.889 0.02 A 22 LEU HD2% H 1 0.807 0.02 A 22 LEU HG H 1 1.832 0.02 A 22 LEU C C 13 179.292 0.4 A 22 LEU CA C 13 57.978 0.4 A 22 LEU CB C 13 43.036 0.4 A 22 LEU CD1 C 13 26.102 0.4 A 22 LEU CD2 C 13 23.070 0.4 A 22 LEU CG C 13 26.979 0.4 A 22 LEU N N 15 121.972 0.4 A 23 ARG H H 1 8.649 0.02 A 23 ARG HA H 1 3.948 0.02 A 23 ARG HB2 H 1 2.019 0.02 A 23 ARG HB3 H 1 2.019 0.02 A 23 ARG HD2 H 1 3.209 0.02 A 23 ARG HD3 H 1 3.209 0.02 A 23 ARG HG2 H 1 1.895 0.02 A 23 ARG HG3 H 1 1.895 0.02 A 23 ARG C C 13 178.821 0.4 A 23 ARG CA C 13 60.030 0.4 A 23 ARG CB C 13 29.696 0.4 A 23 ARG CD C 13 43.208 0.4 A 23 ARG CG C 13 28.193 0.4 A 23 ARG N N 15 122.828 0.4 A 24 ASP H H 1 8.322 0.02 A 24 ASP HA H 1 4.379 0.02 A 24 ASP HBx H 1 2.724 0.02 A 24 ASP HBy H 1 2.829 0.02 A 24 ASP C C 13 178.157 0.4 A 24 ASP CA C 13 57.301 0.4 A 24 ASP CB C 13 40.267 0.4 A 24 ASP N N 15 119.701 0.4 A 25 PHE H H 1 8.401 0.02 A 25 PHE HA H 1 4.323 0.02 A 25 PHE HBy H 1 3.456 0.02 A 25 PHE HBx H 1 3.344 0.02 A 25 PHE HD1 H 1 7.253 0.02 A 25 PHE HD2 H 1 7.253 0.02 A 25 PHE HE1 H 1 7.124 0.02 A 25 PHE HE2 H 1 7.124 0.02 A 25 PHE HZ H 1 7.212 0.02 A 25 PHE C C 13 176.430 0.4 A 25 PHE CA C 13 61.304 0.4 A 25 PHE CB C 13 40.141 0.4 A 25 PHE CD1 C 13 131.476 0.4 A 25 PHE CD2 C 13 131.476 0.4 A 25 PHE CE1 C 13 132.340 0.4 A 25 PHE CE2 C 13 132.340 0.4 A 25 PHE CZ C 13 130.749 0.4 A 25 PHE N N 15 122.005 0.4 A 26 THR H H 1 8.478 0.02 A 26 THR HA H 1 3.850 0.02 A 26 THR HB H 1 4.245 0.02 A 26 THR HG1 H 1 4.758 0.02 A 26 THR HG2% H 1 1.472 0.02 A 26 THR C C 13 175.828 0.4 A 26 THR CA C 13 65.624 0.4 A 26 THR CB C 13 68.479 0.4 A 26 THR CG2 C 13 23.453 0.4 A 26 THR N N 15 109.582 0.4 A 27 ARG H H 1 7.765 0.02 A 27 ARG HA H 1 4.130 0.02 A 27 ARG HB2 H 1 1.902 0.02 A 27 ARG HB3 H 1 1.902 0.02 A 27 ARG HD2 H 1 3.213 0.02 A 27 ARG HD3 H 1 3.213 0.02 A 27 ARG HGy H 1 1.741 0.02 A 27 ARG HGx H 1 1.606 0.02 A 27 ARG C C 13 178.433 0.4 A 27 ARG CA C 13 58.214 0.4 A 27 ARG CB C 13 30.113 0.4 A 27 ARG CD C 13 43.105 0.4 A 27 ARG CG C 13 27.022 0.4 A 27 ARG N N 15 119.629 0.4 A 28 ALA H H 1 7.819 0.02 A 28 ALA HA H 1 3.865 0.02 A 28 ALA HB% H 1 0.651 0.02 A 28 ALA C C 13 179.416 0.4 A 28 ALA CA C 13 54.036 0.4 A 28 ALA CB C 13 17.734 0.4 A 28 ALA N N 15 119.042 0.4 A 29 TYR H H 1 7.191 0.02 A 29 TYR HA H 1 4.117 0.02 A 29 TYR HB2 H 1 3.135 0.02 A 29 TYR HB3 H 1 3.135 0.02 A 29 TYR HD1 H 1 6.551 0.02 A 29 TYR HD2 H 1 6.551 0.02 A 29 TYR HE1 H 1 6.698 0.02 A 29 TYR HE2 H 1 6.698 0.02 A 29 TYR C C 13 174.622 0.4 A 29 TYR CA C 13 56.311 0.4 A 29 TYR CB C 13 39.212 0.4 A 29 TYR CD1 C 13 133.590 0.4 A 29 TYR CD2 C 13 133.590 0.4 A 29 TYR CE1 C 13 117.049 0.4 A 29 TYR CE2 C 13 117.049 0.4 A 29 TYR N N 15 110.392 0.4 A 30 GLU H H 1 7.487 0.02 A 30 GLU HA H 1 4.357 0.02 A 30 GLU HB2 H 1 2.281 0.02 A 30 GLU HB3 H 1 2.281 0.02 A 30 GLU HGy H 1 2.516 0.02 A 30 GLU HGx H 1 2.135 0.02 A 30 GLU CA C 13 54.973 0.4 A 30 GLU CB C 13 27.404 0.4 A 30 GLU CG C 13 34.661 0.4 A 30 GLU N N 15 120.854 0.4 A 31 PRO HA H 1 4.390 0.02 A 31 PRO HBy H 1 2.287 0.02 A 31 PRO HBx H 1 1.879 0.02 A 31 PRO HDy H 1 3.699 0.02 A 31 PRO HDx H 1 3.414 0.02 A 31 PRO HG2 H 1 2.029 0.02 A 31 PRO HG3 H 1 2.029 0.02 A 31 PRO CA C 13 63.515 0.4 A 31 PRO CB C 13 31.905 0.4 A 31 PRO CD C 13 50.275 0.4 A 31 PRO CG C 13 27.362 0.4 A 32 ASP H H 1 8.776 0.02 A 32 ASP HA H 1 4.579 0.02 A 32 ASP HBy H 1 2.759 0.02 A 32 ASP HBx H 1 2.651 0.02 A 32 ASP C C 13 177.288 0.4 A 32 ASP CA C 13 55.743 0.4 A 32 ASP CB C 13 40.510 0.4 A 32 ASP N N 15 115.549 0.4 A 33 SER H H 1 8.450 0.02 A 33 SER HA H 1 4.520 0.02 A 33 SER HBy H 1 3.976 0.02 A 33 SER HBx H 1 3.857 0.02 A 33 SER C C 13 173.798 0.4 A 33 SER CA C 13 59.163 0.4 A 33 SER CB C 13 64.521 0.4 A 33 SER N N 15 115.211 0.4 A 34 VAL H H 1 7.405 0.02 A 34 VAL HA H 1 4.536 0.02 A 34 VAL HB H 1 2.179 0.02 A 34 VAL HG1% H 1 1.027 0.02 A 34 VAL HG2% H 1 0.914 0.02 A 34 VAL C C 13 174.965 0.4 A 34 VAL CA C 13 59.457 0.4 A 34 VAL CB C 13 34.614 0.4 A 34 VAL CG1 C 13 22.297 0.4 A 34 VAL CG2 C 13 19.631 0.4 A 34 VAL N N 15 115.417 0.4 A 35 LEU H H 1 7.959 0.02 A 35 LEU HA H 1 4.439 0.02 A 35 LEU HB2 H 1 1.467 0.02 A 35 LEU HB3 H 1 1.467 0.02 A 35 LEU HD1% H 1 0.904 0.02 A 35 LEU HD2% H 1 0.870 0.02 A 35 LEU HG H 1 1.651 0.02 A 35 LEU CA C 13 53.381 0.4 A 35 LEU CB C 13 40.941 0.4 A 35 LEU CD1 C 13 25.067 0.4 A 35 LEU CD2 C 13 23.446 0.4 A 35 LEU CG C 13 26.615 0.4 A 35 LEU N N 15 123.375 0.4 A 36 PRO HA H 1 4.488 0.02 A 36 PRO HBy H 1 2.294 0.02 A 36 PRO HBx H 1 1.837 0.02 A 36 PRO HDy H 1 3.821 0.02 A 36 PRO HDx H 1 3.574 0.02 A 36 PRO HG2 H 1 2.029 0.02 A 36 PRO HG3 H 1 2.029 0.02 A 36 PRO C C 13 177.096 0.4 A 36 PRO CA C 13 62.625 0.4 A 36 PRO CB C 13 31.972 0.4 A 36 PRO CD C 13 50.295 0.4 A 36 PRO CG C 13 27.290 0.4 A 37 LEU H H 1 8.445 0.02 A 37 LEU HA H 1 4.271 0.02 A 37 LEU HB2 H 1 1.549 0.02 A 37 LEU HB3 H 1 1.549 0.02 A 37 LEU HD1% H 1 0.890 0.02 A 37 LEU HD2% H 1 0.718 0.02 A 37 LEU HG H 1 1.808 0.02 A 37 LEU C C 13 179.278 0.4 A 37 LEU CA C 13 54.601 0.4 A 37 LEU CB C 13 41.009 0.4 A 37 LEU CD1 C 13 26.198 0.4 A 37 LEU CD2 C 13 23.286 0.4 A 37 LEU CG C 13 27.520 0.4 A 37 LEU N N 15 123.795 0.4 A 38 ALA H H 1 8.063 0.02 A 38 ALA N N 15 124.879 0.4 A 40 GLY H H 1 8.501 0.02 A 40 GLY HA2 H 1 3.939 0.02 A 40 GLY HA3 H 1 3.939 0.02 A 40 GLY C C 13 177.071 0.4 A 40 GLY CA C 13 47.194 0.4 A 40 GLY N N 15 109.692 0.4 A 41 VAL H H 1 7.972 0.02 A 41 VAL HA H 1 3.953 0.02 A 41 VAL HB H 1 2.063 0.02 A 41 VAL HG1% H 1 1.001 0.02 A 41 VAL HG2% H 1 1.030 0.02 A 41 VAL C C 13 178.432 0.4 A 41 VAL CA C 13 66.040 0.4 A 41 VAL CB C 13 31.680 0.4 A 41 VAL CG1 C 13 20.777 0.4 A 41 VAL CG2 C 13 22.020 0.4 A 41 VAL N N 15 123.473 0.4 A 42 LEU H H 1 8.449 0.02 A 42 LEU HA H 1 4.145 0.02 A 42 LEU HBy H 1 1.973 0.02 A 42 LEU HBx H 1 1.481 0.02 A 42 LEU HD1% H 1 1.102 0.02 A 42 LEU HD2% H 1 0.977 0.02 A 42 LEU HG H 1 1.959 0.02 A 42 LEU C C 13 178.883 0.4 A 42 LEU CA C 13 57.749 0.4 A 42 LEU CB C 13 40.871 0.4 A 42 LEU CD1 C 13 27.879 0.4 A 42 LEU CD2 C 13 22.741 0.4 A 42 LEU CG C 13 26.593 0.4 A 42 LEU N N 15 119.328 0.4 A 43 SER H H 1 8.921 0.02 A 43 SER HA H 1 4.402 0.02 A 43 SER HBx H 1 3.895 0.02 A 43 SER HBy H 1 4.078 0.02 A 43 SER C C 13 177.162 0.4 A 43 SER CA C 13 61.507 0.4 A 43 SER CB C 13 62.801 0.4 A 43 SER N N 15 112.921 0.4 A 44 PHE H H 1 7.841 0.02 A 44 PHE HA H 1 4.494 0.02 A 44 PHE HBy H 1 3.530 0.02 A 44 PHE HBx H 1 3.370 0.02 A 44 PHE HD1 H 1 7.319 0.02 A 44 PHE HD2 H 1 7.319 0.02 A 44 PHE C C 13 177.955 0.4 A 44 PHE CA C 13 60.899 0.4 A 44 PHE CB C 13 38.482 0.4 A 44 PHE CD1 C 13 131.775 0.4 A 44 PHE CD2 C 13 131.775 0.4 A 44 PHE N N 15 122.641 0.4 A 45 ILE H H 1 8.674 0.02 A 45 ILE HA H 1 3.525 0.02 A 45 ILE HB H 1 2.001 0.02 A 45 ILE HD1% H 1 0.900 0.02 A 45 ILE HG1y H 1 2.233 0.02 A 45 ILE HG1x H 1 1.198 0.02 A 45 ILE HG2% H 1 0.892 0.02 A 45 ILE C C 13 177.166 0.4 A 45 ILE CA C 13 66.465 0.4 A 45 ILE CB C 13 38.558 0.4 A 45 ILE CD1 C 13 14.612 0.4 A 45 ILE CG1 C 13 29.015 0.4 A 45 ILE CG2 C 13 17.822 0.4 A 45 ILE N N 15 121.438 0.4 A 46 HIS H H 1 8.923 0.02 A 46 HIS HA H 1 4.268 0.02 A 46 HIS HBx H 1 3.240 0.02 A 46 HIS HBy H 1 3.928 0.02 A 46 HIS HE1 H 1 7.598 0.02 A 46 HIS C C 13 176.820 0.4 A 46 HIS CA C 13 58.449 0.4 A 46 HIS CB C 13 32.810 0.4 A 46 HIS CE1 C 13 137.387 0.4 A 46 HIS N N 15 119.825 0.4 A 47 HIS H H 1 8.232 0.02 A 47 HIS HA H 1 3.752 0.02 A 47 HIS HB2 H 1 3.214 0.02 A 47 HIS HB3 H 1 3.214 0.02 A 47 HIS C C 13 178.190 0.4 A 47 HIS CA C 13 60.756 0.4 A 47 HIS CB C 13 29.665 0.4 A 47 HIS N N 15 116.358 0.4 A 48 GLN H H 1 8.443 0.02 A 48 GLN HA H 1 3.890 0.02 A 48 GLN HB2 H 1 1.904 0.02 A 48 GLN HB3 H 1 1.904 0.02 A 48 GLN HE2y H 1 6.866 0.02 A 48 GLN HE2x H 1 6.502 0.02 A 48 GLN HGy H 1 1.947 0.02 A 48 GLN HGx H 1 1.911 0.02 A 48 GLN C C 13 178.515 0.4 A 48 GLN CA C 13 58.789 0.4 A 48 GLN CB C 13 29.287 0.4 A 48 GLN CG C 13 34.367 0.4 A 48 GLN N N 15 119.152 0.4 A 48 GLN NE2 N 15 112.022 0.4 A 49 ILE H H 1 8.788 0.02 A 49 ILE HA H 1 3.487 0.02 A 49 ILE HB H 1 2.126 0.02 A 49 ILE HD1% H 1 0.826 0.02 A 49 ILE HG1y H 1 1.952 0.02 A 49 ILE HG1x H 1 0.933 0.02 A 49 ILE HG2% H 1 0.980 0.02 A 49 ILE C C 13 177.429 0.4 A 49 ILE CA C 13 65.556 0.4 A 49 ILE CB C 13 37.700 0.4 A 49 ILE CD1 C 13 17.222 0.4 A 49 ILE CG1 C 13 29.239 0.4 A 49 ILE CG2 C 13 17.991 0.4 A 49 ILE N N 15 119.692 0.4 A 50 ILE H H 1 7.654 0.02 A 50 ILE HA H 1 3.934 0.02 A 50 ILE HB H 1 2.269 0.02 A 50 ILE HD1% H 1 0.680 0.02 A 50 ILE HG1y H 1 2.037 0.02 A 50 ILE HG1x H 1 1.339 0.02 A 50 ILE HG2% H 1 0.952 0.02 A 50 ILE C C 13 178.080 0.4 A 50 ILE CA C 13 61.941 0.4 A 50 ILE CB C 13 34.261 0.4 A 50 ILE CD1 C 13 8.937 0.4 A 50 ILE CG1 C 13 27.105 0.4 A 50 ILE CG2 C 13 17.210 0.4 A 50 ILE N N 15 118.036 0.4 A 51 GLU H H 1 8.212 0.02 A 51 GLU HA H 1 4.069 0.02 A 51 GLU HB2 H 1 2.089 0.02 A 51 GLU HB3 H 1 2.089 0.02 A 51 GLU HGy H 1 2.270 0.02 A 51 GLU HGx H 1 2.223 0.02 A 51 GLU C C 13 179.960 0.4 A 51 GLU CA C 13 59.383 0.4 A 51 GLU CB C 13 28.852 0.4 A 51 GLU CG C 13 35.937 0.4 A 51 GLU N N 15 120.185 0.4 A 52 LEU H H 1 8.554 0.02 A 52 LEU HA H 1 4.127 0.02 A 52 LEU HBx H 1 1.288 0.02 A 52 LEU HBy H 1 2.034 0.02 A 52 LEU HD1% H 1 0.714 0.02 A 52 LEU HD2% H 1 0.864 0.02 A 52 LEU HG H 1 1.910 0.02 A 52 LEU C C 13 179.673 0.4 A 52 LEU CA C 13 57.834 0.4 A 52 LEU CB C 13 40.970 0.4 A 52 LEU CD1 C 13 25.810 0.4 A 52 LEU CD2 C 13 22.122 0.4 A 52 LEU CG C 13 26.995 0.4 A 52 LEU N N 15 121.518 0.4 A 53 ALA H H 1 8.282 0.02 A 53 ALA HA H 1 3.942 0.02 A 53 ALA HB% H 1 1.646 0.02 A 53 ALA C C 13 179.347 0.4 A 53 ALA CA C 13 55.480 0.4 A 53 ALA CB C 13 18.978 0.4 A 53 ALA N N 15 122.249 0.4 A 54 ARG H H 1 8.686 0.02 A 54 ARG HA H 1 3.924 0.02 A 54 ARG HB2 H 1 2.017 0.02 A 54 ARG HB3 H 1 2.017 0.02 A 54 ARG HD2 H 1 3.266 0.02 A 54 ARG HD3 H 1 3.266 0.02 A 54 ARG HGy H 1 1.896 0.02 A 54 ARG HGx H 1 1.518 0.02 A 54 ARG C C 13 177.350 0.4 A 54 ARG CA C 13 60.031 0.4 A 54 ARG CB C 13 30.125 0.4 A 54 ARG CD C 13 43.136 0.4 A 54 ARG CG C 13 28.004 0.4 A 54 ARG N N 15 117.448 0.4 A 55 ASP H H 1 8.517 0.02 A 55 ASP HA H 1 4.372 0.02 A 55 ASP HB2 H 1 2.874 0.02 A 55 ASP HB3 H 1 2.874 0.02 A 55 ASP C C 13 176.782 0.4 A 55 ASP CA C 13 57.586 0.4 A 55 ASP CB C 13 42.003 0.4 A 55 ASP N N 15 121.167 0.4 A 56 CYS H H 1 8.351 0.02 A 56 CYS HA H 1 4.113 0.02 A 56 CYS HBy H 1 3.166 0.02 A 56 CYS HBx H 1 3.125 0.02 A 56 CYS C C 13 176.424 0.4 A 56 CYS CA C 13 62.310 0.4 A 56 CYS CB C 13 25.865 0.4 A 56 CYS N N 15 120.225 0.4 A 57 LEU H H 1 8.100 0.02 A 57 LEU HA H 1 3.959 0.02 A 57 LEU HBx H 1 1.633 0.02 A 57 LEU HBy H 1 2.129 0.02 A 57 LEU HD1% H 1 1.048 0.02 A 57 LEU HD2% H 1 0.952 0.02 A 57 LEU HG H 1 1.627 0.02 A 57 LEU C C 13 178.068 0.4 A 57 LEU CA C 13 58.383 0.4 A 57 LEU CB C 13 41.645 0.4 A 57 LEU CD1 C 13 23.583 0.4 A 57 LEU CD2 C 13 25.681 0.4 A 57 LEU CG C 13 27.128 0.4 A 57 LEU N N 15 120.137 0.4 A 58 THR H H 1 8.270 0.02 A 58 THR HA H 1 3.755 0.02 A 58 THR HB H 1 4.310 0.02 A 58 THR HG2% H 1 1.214 0.02 A 58 THR C C 13 176.042 0.4 A 58 THR CA C 13 66.492 0.4 A 58 THR CB C 13 68.481 0.4 A 58 THR CG2 C 13 21.854 0.4 A 58 THR N N 15 116.478 0.4 A 59 LYS H H 1 8.575 0.02 A 59 LYS HA H 1 3.777 0.02 A 59 LYS HBy H 1 1.583 0.02 A 59 LYS HBx H 1 0.996 0.02 A 59 LYS HD2 H 1 1.048 0.02 A 59 LYS HD3 H 1 1.048 0.02 A 59 LYS HEy H 1 2.849 0.02 A 59 LYS HEx H 1 2.767 0.02 A 59 LYS HGy H 1 1.232 0.02 A 59 LYS HGx H 1 1.025 0.02 A 59 LYS C C 13 179.018 0.4 A 59 LYS CA C 13 59.438 0.4 A 59 LYS CB C 13 32.037 0.4 A 59 LYS CD C 13 28.144 0.4 A 59 LYS CE C 13 42.162 0.4 A 59 LYS CG C 13 26.115 0.4 A 59 LYS N N 15 120.541 0.4 A 60 SER H H 1 8.393 0.02 A 60 SER HA H 1 4.037 0.02 A 60 SER HB2 H 1 4.143 0.02 A 60 SER HB3 H 1 4.143 0.02 A 60 SER HG H 1 3.814 0.02 A 60 SER C C 13 178.741 0.4 A 60 SER CA C 13 61.673 0.4 A 60 SER CB C 13 62.947 0.4 A 60 SER N N 15 114.162 0.4 A 61 ARG H H 1 8.267 0.02 A 61 ARG HA H 1 4.046 0.02 A 61 ARG HB2 H 1 1.953 0.02 A 61 ARG HB3 H 1 1.953 0.02 A 61 ARG HDy H 1 3.185 0.02 A 61 ARG HDx H 1 3.079 0.02 A 61 ARG HGy H 1 1.825 0.02 A 61 ARG HGx H 1 1.644 0.02 A 61 ARG C C 13 178.559 0.4 A 61 ARG CA C 13 58.820 0.4 A 61 ARG CB C 13 29.716 0.4 A 61 ARG CD C 13 43.317 0.4 A 61 ARG CG C 13 26.589 0.4 A 61 ARG N N 15 121.639 0.4 A 62 ASP H H 1 8.003 0.02 A 62 ASP HA H 1 4.686 0.02 A 62 ASP HBx H 1 2.544 0.02 A 62 ASP HBy H 1 2.783 0.02 A 62 ASP C C 13 176.478 0.4 A 62 ASP CA C 13 54.435 0.4 A 62 ASP CB C 13 40.882 0.4 A 62 ASP N N 15 116.627 0.4 A 63 GLY H H 1 7.879 0.02 A 63 GLY HAy H 1 4.023 0.02 A 63 GLY HAx H 1 3.975 0.02 A 63 GLY C C 13 175.829 0.4 A 63 GLY CA C 13 46.735 0.4 A 63 GLY N N 15 109.533 0.4 A 64 LEU H H 1 8.346 0.02 A 64 LEU HA H 1 4.452 0.02 A 64 LEU HBx H 1 1.306 0.02 A 64 LEU HBy H 1 1.648 0.02 A 64 LEU HD1% H 1 0.902 0.02 A 64 LEU HD2% H 1 0.787 0.02 A 64 LEU HG H 1 1.375 0.02 A 64 LEU C C 13 176.711 0.4 A 64 LEU CA C 13 53.693 0.4 A 64 LEU CB C 13 43.264 0.4 A 64 LEU CD1 C 13 25.518 0.4 A 64 LEU CD2 C 13 22.078 0.4 A 64 LEU CG C 13 25.974 0.4 A 64 LEU N N 15 118.282 0.4 A 65 ILE H H 1 7.727 0.02 A 65 ILE HA H 1 3.549 0.02 A 65 ILE HB H 1 1.772 0.02 A 65 ILE HD1% H 1 0.658 0.02 A 65 ILE HG1y H 1 1.235 0.02 A 65 ILE HG1x H 1 0.868 0.02 A 65 ILE HG2% H 1 0.608 0.02 A 65 ILE C C 13 175.266 0.4 A 65 ILE CA C 13 62.039 0.4 A 65 ILE CB C 13 36.582 0.4 A 65 ILE CD1 C 13 12.899 0.4 A 65 ILE CG1 C 13 27.882 0.4 A 65 ILE CG2 C 13 17.975 0.4 A 65 ILE N N 15 120.157 0.4 A 66 THR H H 1 6.767 0.02 A 66 THR HA H 1 4.932 0.02 A 66 THR HB H 1 4.714 0.02 A 66 THR HG2% H 1 1.214 0.02 A 66 THR CA C 13 59.138 0.4 A 66 THR CB C 13 72.447 0.4 A 66 THR CG2 C 13 21.370 0.4 A 66 THR N N 15 115.818 0.4 A 67 THR HA H 1 4.089 0.02 A 67 THR HB H 1 4.227 0.02 A 67 THR HG2% H 1 1.293 0.02 A 67 THR C C 13 176.590 0.4 A 67 THR CA C 13 66.384 0.4 A 67 THR CB C 13 68.392 0.4 A 67 THR CG2 C 13 22.446 0.4 A 68 VAL H H 1 7.703 0.02 A 68 VAL HA H 1 3.937 0.02 A 68 VAL HB H 1 2.058 0.02 A 68 VAL HG1% H 1 0.973 0.02 A 68 VAL HG2% H 1 1.041 0.02 A 68 VAL C C 13 177.125 0.4 A 68 VAL CA C 13 65.315 0.4 A 68 VAL CB C 13 31.768 0.4 A 68 VAL CG1 C 13 20.687 0.4 A 68 VAL CG2 C 13 21.920 0.4 A 68 VAL N N 15 119.126 0.4 A 69 TYR H H 1 7.849 0.02 A 69 TYR HA H 1 4.203 0.02 A 69 TYR HBy H 1 3.241 0.02 A 69 TYR HBx H 1 2.883 0.02 A 69 TYR HD1 H 1 6.724 0.02 A 69 TYR HD2 H 1 6.724 0.02 A 69 TYR HE1 H 1 6.701 0.02 A 69 TYR HE2 H 1 6.701 0.02 A 69 TYR C C 13 177.860 0.4 A 69 TYR CA C 13 61.348 0.4 A 69 TYR CB C 13 38.058 0.4 A 69 TYR CD1 C 13 132.804 0.4 A 69 TYR CD2 C 13 132.804 0.4 A 69 TYR CE1 C 13 117.974 0.4 A 69 TYR CE2 C 13 117.974 0.4 A 69 TYR N N 15 122.155 0.4 A 70 PHE H H 1 7.989 0.02 A 70 PHE HA H 1 4.180 0.02 A 70 PHE HB2 H 1 3.105 0.02 A 70 PHE HB3 H 1 3.105 0.02 A 70 PHE HD1 H 1 7.203 0.02 A 70 PHE HD2 H 1 7.203 0.02 A 70 PHE HE1 H 1 7.272 0.02 A 70 PHE HE2 H 1 7.272 0.02 A 70 PHE HZ H 1 7.143 0.02 A 70 PHE C C 13 178.290 0.4 A 70 PHE CA C 13 61.323 0.4 A 70 PHE CB C 13 38.571 0.4 A 70 PHE CD1 C 13 130.749 0.4 A 70 PHE CD2 C 13 130.749 0.4 A 70 PHE CE1 C 13 131.319 0.4 A 70 PHE CE2 C 13 131.319 0.4 A 70 PHE CZ C 13 129.460 0.4 A 70 PHE N N 15 117.021 0.4 A 71 TYR H H 1 8.130 0.02 A 71 TYR HA H 1 4.270 0.02 A 71 TYR HB2 H 1 3.200 0.02 A 71 TYR HB3 H 1 3.200 0.02 A 71 TYR HD1 H 1 7.138 0.02 A 71 TYR HD2 H 1 7.138 0.02 A 71 TYR HE1 H 1 6.796 0.02 A 71 TYR HE2 H 1 6.796 0.02 A 71 TYR C C 13 178.437 0.4 A 71 TYR CA C 13 60.904 0.4 A 71 TYR CB C 13 37.400 0.4 A 71 TYR CD1 C 13 132.705 0.4 A 71 TYR CD2 C 13 132.705 0.4 A 71 TYR CE1 C 13 118.070 0.4 A 71 TYR CE2 C 13 118.070 0.4 A 71 TYR N N 15 120.333 0.4 A 72 GLU H H 1 8.318 0.02 A 72 GLU HA H 1 3.931 0.02 A 72 GLU HBy H 1 2.091 0.02 A 72 GLU HBx H 1 1.936 0.02 A 72 GLU HGy H 1 2.551 0.02 A 72 GLU HGx H 1 2.211 0.02 A 72 GLU C C 13 178.871 0.4 A 72 GLU CA C 13 59.159 0.4 A 72 GLU CB C 13 28.953 0.4 A 72 GLU CG C 13 36.634 0.4 A 72 GLU N N 15 120.863 0.4 A 73 LEU H H 1 8.350 0.02 A 73 LEU HA H 1 4.049 0.02 A 73 LEU HBx H 1 1.130 0.02 A 73 LEU HBy H 1 1.684 0.02 A 73 LEU HD1% H 1 0.922 0.02 A 73 LEU HD2% H 1 0.951 0.02 A 73 LEU HG H 1 1.339 0.02 A 73 LEU C C 13 178.407 0.4 A 73 LEU CA C 13 57.784 0.4 A 73 LEU CB C 13 41.066 0.4 A 73 LEU CD1 C 13 24.374 0.4 A 73 LEU CD2 C 13 26.822 0.4 A 73 LEU CG C 13 27.147 0.4 A 73 LEU N N 15 122.259 0.4 A 74 GLN H H 1 8.179 0.02 A 74 GLN HA H 1 3.654 0.02 A 74 GLN HB2 H 1 2.026 0.02 A 74 GLN HB3 H 1 2.026 0.02 A 74 GLN HE2y H 1 7.425 0.02 A 74 GLN HE2x H 1 6.738 0.02 A 74 GLN HGy H 1 2.252 0.02 A 74 GLN HGx H 1 2.107 0.02 A 74 GLN C C 13 177.704 0.4 A 74 GLN CA C 13 59.884 0.4 A 74 GLN CB C 13 27.562 0.4 A 74 GLN CG C 13 33.531 0.4 A 74 GLN N N 15 118.256 0.4 A 74 GLN NE2 N 15 110.792 0.4 A 75 GLU H H 1 7.953 0.02 A 75 GLU HA H 1 3.964 0.02 A 75 GLU HB2 H 1 1.995 0.02 A 75 GLU HB3 H 1 1.995 0.02 A 75 GLU HGy H 1 2.241 0.02 A 75 GLU HGx H 1 2.060 0.02 A 75 GLU C C 13 179.379 0.4 A 75 GLU CA C 13 59.346 0.4 A 75 GLU CB C 13 29.340 0.4 A 75 GLU CG C 13 36.337 0.4 A 75 GLU N N 15 118.569 0.4 A 76 ASN H H 1 8.388 0.02 A 76 ASN HA H 1 4.479 0.02 A 76 ASN HBy H 1 2.946 0.02 A 76 ASN HBx H 1 2.734 0.02 A 76 ASN HD2y H 1 7.158 0.02 A 76 ASN HD2x H 1 7.080 0.02 A 76 ASN C C 13 178.489 0.4 A 76 ASN CA C 13 55.595 0.4 A 76 ASN CB C 13 38.242 0.4 A 76 ASN N N 15 119.198 0.4 A 76 ASN ND2 N 15 111.196 0.4 A 77 LEU H H 1 8.563 0.02 A 77 LEU HA H 1 3.954 0.02 A 77 LEU HBy H 1 2.031 0.02 A 77 LEU HBx H 1 1.282 0.02 A 77 LEU HD1% H 1 0.714 0.02 A 77 LEU HD2% H 1 0.873 0.02 A 77 LEU HG H 1 1.856 0.02 A 77 LEU C C 13 178.087 0.4 A 77 LEU CA C 13 57.891 0.4 A 77 LEU CB C 13 40.991 0.4 A 77 LEU CD1 C 13 25.804 0.4 A 77 LEU CD2 C 13 24.041 0.4 A 77 LEU CG C 13 26.903 0.4 A 77 LEU N N 15 120.441 0.4 A 78 GLU H H 1 8.412 0.02 A 78 GLU HA H 1 3.917 0.02 A 78 GLU HBx H 1 1.998 0.02 A 78 GLU HBy H 1 2.130 0.02 A 78 GLU HGy H 1 2.504 0.02 A 78 GLU HGx H 1 2.196 0.02 A 78 GLU C C 13 179.593 0.4 A 78 GLU CA C 13 59.633 0.4 A 78 GLU CB C 13 29.003 0.4 A 78 GLU CG C 13 36.859 0.4 A 78 GLU N N 15 118.468 0.4 A 79 LYS H H 1 7.805 0.02 A 79 LYS HA H 1 4.110 0.02 A 79 LYS HBy H 1 2.075 0.02 A 79 LYS HBx H 1 1.965 0.02 A 79 LYS HDy H 1 1.753 0.02 A 79 LYS HDx H 1 1.653 0.02 A 79 LYS HE2 H 1 2.987 0.02 A 79 LYS HE3 H 1 2.987 0.02 A 79 LYS HGy H 1 1.568 0.02 A 79 LYS HGx H 1 1.484 0.02 A 79 LYS C C 13 178.411 0.4 A 79 LYS CA C 13 59.226 0.4 A 79 LYS CB C 13 31.805 0.4 A 79 LYS CD C 13 28.734 0.4 A 79 LYS CE C 13 42.109 0.4 A 79 LYS CG C 13 25.021 0.4 A 79 LYS N N 15 121.251 0.4 A 80 LEU H H 1 7.853 0.02 A 80 LEU HA H 1 4.104 0.02 A 80 LEU HBx H 1 1.271 0.02 A 80 LEU HBy H 1 2.035 0.02 A 80 LEU HD1% H 1 0.753 0.02 A 80 LEU HD2% H 1 0.944 0.02 A 80 LEU HG H 1 1.916 0.02 A 80 LEU C C 13 178.933 0.4 A 80 LEU CA C 13 57.779 0.4 A 80 LEU CB C 13 41.010 0.4 A 80 LEU CD1 C 13 26.479 0.4 A 80 LEU CD2 C 13 22.558 0.4 A 80 LEU CG C 13 26.684 0.4 A 80 LEU N N 15 119.584 0.4 A 81 LEU H H 1 8.102 0.02 A 81 LEU HA H 1 3.736 0.02 A 81 LEU HBy H 1 1.950 0.02 A 81 LEU HBx H 1 1.632 0.02 A 81 LEU HD1% H 1 0.816 0.02 A 81 LEU HD2% H 1 0.905 0.02 A 81 LEU HG H 1 1.619 0.02 A 81 LEU C C 13 177.499 0.4 A 81 LEU CA C 13 57.841 0.4 A 81 LEU CB C 13 41.598 0.4 A 81 LEU CD1 C 13 24.552 0.4 A 81 LEU CD2 C 13 25.198 0.4 A 81 LEU CG C 13 26.926 0.4 A 81 LEU N N 15 118.437 0.4 A 82 GLN H H 1 7.493 0.02 A 82 GLN HA H 1 4.047 0.02 A 82 GLN HB2 H 1 2.266 0.02 A 82 GLN HB3 H 1 2.266 0.02 A 82 GLN HE2y H 1 7.860 0.02 A 82 GLN HE2x H 1 6.930 0.02 A 82 GLN HG2 H 1 2.540 0.02 A 82 GLN HG3 H 1 2.540 0.02 A 82 GLN C C 13 179.243 0.4 A 82 GLN CA C 13 58.598 0.4 A 82 GLN CB C 13 27.775 0.4 A 82 GLN CG C 13 33.594 0.4 A 82 GLN N N 15 116.386 0.4 A 82 GLN NE2 N 15 113.037 0.4 A 83 ASP H H 1 8.395 0.02 A 83 ASP HA H 1 4.271 0.02 A 83 ASP HBy H 1 2.954 0.02 A 83 ASP HBx H 1 2.475 0.02 A 83 ASP C C 13 179.617 0.4 A 83 ASP CA C 13 57.153 0.4 A 83 ASP CB C 13 39.954 0.4 A 83 ASP N N 15 119.830 0.4 A 84 ALA H H 1 8.294 0.02 A 84 ALA HA H 1 3.840 0.02 A 84 ALA HB% H 1 1.307 0.02 A 84 ALA C C 13 178.833 0.4 A 84 ALA CA C 13 54.807 0.4 A 84 ALA CB C 13 17.778 0.4 A 84 ALA N N 15 123.278 0.4 A 85 TYR H H 1 7.935 0.02 A 85 TYR HA H 1 4.407 0.02 A 85 TYR HBy H 1 3.235 0.02 A 85 TYR HBx H 1 3.060 0.02 A 85 TYR HD1 H 1 7.132 0.02 A 85 TYR HD2 H 1 7.132 0.02 A 85 TYR HE1 H 1 6.768 0.02 A 85 TYR HE2 H 1 6.768 0.02 A 85 TYR C C 13 177.759 0.4 A 85 TYR CA C 13 59.266 0.4 A 85 TYR CB C 13 37.740 0.4 A 85 TYR CD1 C 13 132.477 0.4 A 85 TYR CD2 C 13 132.477 0.4 A 85 TYR CE1 C 13 117.843 0.4 A 85 TYR CE2 C 13 117.843 0.4 A 85 TYR N N 15 114.067 0.4 A 86 GLU H H 1 7.385 0.02 A 86 GLU HA H 1 4.269 0.02 A 86 GLU HBy H 1 2.267 0.02 A 86 GLU HBx H 1 2.091 0.02 A 86 GLU HGy H 1 2.665 0.02 A 86 GLU HGx H 1 2.388 0.02 A 86 GLU C C 13 177.560 0.4 A 86 GLU CA C 13 57.171 0.4 A 86 GLU CB C 13 29.921 0.4 A 86 GLU CG C 13 36.332 0.4 A 86 GLU N N 15 115.784 0.4 A 87 ARG H H 1 7.758 0.02 A 87 ARG HA H 1 4.526 0.02 A 87 ARG HD2 H 1 3.125 0.02 A 87 ARG HD3 H 1 3.125 0.02 A 87 ARG CA C 13 53.033 0.4 A 87 ARG CD C 13 43.362 0.4 A 87 ARG N N 15 117.373 0.4 A 88 SER HA H 1 4.369 0.02 A 88 SER HBy H 1 3.840 0.02 A 88 SER HBx H 1 3.788 0.02 A 88 SER C C 13 174.254 0.4 A 88 SER CA C 13 58.551 0.4 A 88 SER CB C 13 63.500 0.4 A 88 SER N N 15 114.246 0.4 A 89 GLU H H 1 8.417 0.02 A 89 GLU C C 13 175.195 0.4 A 89 GLU CA C 13 59.462 0.4 A 89 GLU N N 15 121.712 0.4 A 91 LEU HA H 1 4.279 0.02 A 91 LEU HBy H 1 1.877 0.02 A 91 LEU HBx H 1 1.626 0.02 A 91 LEU HD1% H 1 0.973 0.02 A 91 LEU HD2% H 1 0.928 0.02 A 91 LEU HG H 1 1.798 0.02 A 91 LEU CA C 13 57.756 0.4 A 91 LEU CB C 13 41.236 0.4 A 91 LEU CD1 C 13 24.931 0.4 A 91 LEU CD2 C 13 22.962 0.4 A 91 LEU CG C 13 27.034 0.4 A 92 GLU HA H 1 3.920 0.02 A 92 GLU HBy H 1 2.152 0.02 A 92 GLU HBx H 1 2.007 0.02 A 92 GLU HGy H 1 2.495 0.02 A 92 GLU HGx H 1 2.195 0.02 A 92 GLU CA C 13 59.679 0.4 A 92 GLU CB C 13 28.728 0.4 A 92 GLU CG C 13 36.707 0.4 A 93 VAL HA H 1 3.466 0.02 A 93 VAL HB H 1 2.195 0.02 A 93 VAL HG1% H 1 0.900 0.02 A 93 VAL HG2% H 1 1.062 0.02 A 93 VAL C C 13 179.062 0.4 A 93 VAL CA C 13 66.891 0.4 A 93 VAL CB C 13 32.086 0.4 A 93 VAL CG1 C 13 21.565 0.4 A 93 VAL CG2 C 13 24.161 0.4 A 94 ALA H H 1 7.914 0.02 A 94 ALA HA H 1 4.101 0.02 A 94 ALA HB% H 1 1.553 0.02 A 94 ALA C C 13 178.897 0.4 A 94 ALA CA C 13 55.250 0.4 A 94 ALA CB C 13 17.562 0.4 A 94 ALA N N 15 123.741 0.4 A 95 PHE H H 1 7.678 0.02 A 95 PHE HA H 1 4.271 0.02 A 95 PHE HBy H 1 3.366 0.02 A 95 PHE HBx H 1 3.156 0.02 A 95 PHE HD1 H 1 7.129 0.02 A 95 PHE HD2 H 1 7.129 0.02 A 95 PHE HE1 H 1 6.744 0.02 A 95 PHE HE2 H 1 6.744 0.02 A 95 PHE HZ H 1 6.974 0.02 A 95 PHE C C 13 177.037 0.4 A 95 PHE CA C 13 60.924 0.4 A 95 PHE CB C 13 38.793 0.4 A 95 PHE CD1 C 13 132.192 0.4 A 95 PHE CD2 C 13 132.192 0.4 A 95 PHE CE1 C 13 130.402 0.4 A 95 PHE CE2 C 13 130.406 0.4 A 95 PHE CZ C 13 129.298 0.4 A 95 PHE N N 15 118.009 0.4 A 96 VAL H H 1 7.990 0.02 A 96 VAL HA H 1 3.180 0.02 A 96 VAL HB H 1 2.049 0.02 A 96 VAL HG1% H 1 0.852 0.02 A 96 VAL HG2% H 1 1.190 0.02 A 96 VAL C C 13 178.249 0.4 A 96 VAL CA C 13 66.817 0.4 A 96 VAL CB C 13 31.712 0.4 A 96 VAL CG1 C 13 22.634 0.4 A 96 VAL CG2 C 13 24.606 0.4 A 96 VAL N N 15 116.806 0.4 A 97 THR H H 1 8.621 0.02 A 97 THR HA H 1 3.679 0.02 A 97 THR HB H 1 4.022 0.02 A 97 THR HG2% H 1 0.948 0.02 A 97 THR C C 13 176.965 0.4 A 97 THR CA C 13 66.215 0.4 A 97 THR CB C 13 68.557 0.4 A 97 THR CG2 C 13 21.863 0.4 A 97 THR N N 15 112.405 0.4 A 98 GLN H H 1 7.822 0.02 A 98 GLN HA H 1 3.977 0.02 A 98 GLN HBy H 1 2.210 0.02 A 98 GLN HBx H 1 1.973 0.02 A 98 GLN HE2y H 1 7.317 0.02 A 98 GLN HE2x H 1 6.827 0.02 A 98 GLN HGy H 1 2.528 0.02 A 98 GLN HGx H 1 2.363 0.02 A 98 GLN C C 13 178.268 0.4 A 98 GLN CA C 13 58.607 0.4 A 98 GLN CB C 13 27.684 0.4 A 98 GLN CG C 13 34.006 0.4 A 98 GLN N N 15 120.324 0.4 A 98 GLN NE2 N 15 111.438 0.4 A 99 LEU H H 1 7.429 0.02 A 99 LEU HA H 1 3.699 0.02 A 99 LEU HBx H 1 1.347 0.02 A 99 LEU HBy H 1 1.731 0.02 A 99 LEU HD1% H 1 0.162 0.02 A 99 LEU HD2% H 1 -0.031 0.02 A 99 LEU HG H 1 1.152 0.02 A 99 LEU C C 13 178.744 0.4 A 99 LEU CA C 13 58.110 0.4 A 99 LEU CB C 13 41.911 0.4 A 99 LEU CD1 C 13 26.039 0.4 A 99 LEU CD2 C 13 23.320 0.4 A 99 LEU CG C 13 25.806 0.4 A 99 LEU N N 15 119.769 0.4 A 100 VAL H H 1 7.771 0.02 A 100 VAL HA H 1 3.344 0.02 A 100 VAL HB H 1 2.138 0.02 A 100 VAL HGx% H 1 0.927 0.02 A 100 VAL HGy% H 1 0.939 0.02 A 100 VAL C C 13 177.627 0.4 A 100 VAL CA C 13 67.439 0.4 A 100 VAL CB C 13 31.196 0.4 A 100 VAL CG1 C 13 22.744 0.4 A 100 VAL CG2 C 13 22.665 0.4 A 100 VAL N N 15 117.087 0.4 A 101 LYS H H 1 8.036 0.02 A 101 LYS HA H 1 3.881 0.02 A 101 LYS HB2 H 1 1.837 0.02 A 101 LYS HB3 H 1 1.837 0.02 A 101 LYS HD2 H 1 1.635 0.02 A 101 LYS HD3 H 1 1.635 0.02 A 101 LYS HE2 H 1 2.900 0.02 A 101 LYS HE3 H 1 2.900 0.02 A 101 LYS HGy H 1 1.640 0.02 A 101 LYS HGx H 1 1.411 0.02 A 101 LYS C C 13 179.624 0.4 A 101 LYS CA C 13 60.025 0.4 A 101 LYS CB C 13 32.035 0.4 A 101 LYS CD C 13 29.247 0.4 A 101 LYS CE C 13 42.082 0.4 A 101 LYS CG C 13 25.963 0.4 A 101 LYS N N 15 117.223 0.4 A 102 LYS H H 1 8.314 0.02 A 102 LYS HA H 1 3.948 0.02 A 102 LYS HBx H 1 1.977 0.02 A 102 LYS HBy H 1 2.116 0.02 A 102 LYS HDy H 1 1.851 0.02 A 102 LYS HDx H 1 1.518 0.02 A 102 LYS HE2 H 1 2.972 0.02 A 102 LYS HE3 H 1 2.972 0.02 A 102 LYS HGy H 1 1.747 0.02 A 102 LYS HGx H 1 1.525 0.02 A 102 LYS C C 13 179.195 0.4 A 102 LYS CA C 13 59.546 0.4 A 102 LYS CB C 13 33.067 0.4 A 102 LYS CD C 13 29.663 0.4 A 102 LYS CE C 13 42.170 0.4 A 102 LYS CG C 13 26.311 0.4 A 102 LYS N N 15 118.063 0.4 A 103 LEU H H 1 8.000 0.02 A 103 LEU HA H 1 3.654 0.02 A 103 LEU HBy H 1 1.731 0.02 A 103 LEU HBx H 1 1.070 0.02 A 103 LEU HD1% H 1 0.350 0.02 A 103 LEU HD2% H 1 0.748 0.02 A 103 LEU HG H 1 1.286 0.02 A 103 LEU C C 13 178.101 0.4 A 103 LEU CA C 13 57.150 0.4 A 103 LEU CB C 13 40.298 0.4 A 103 LEU CD1 C 13 22.991 0.4 A 103 LEU CD2 C 13 26.954 0.4 A 103 LEU CG C 13 26.263 0.4 A 103 LEU N N 15 121.879 0.4 A 104 LEU H H 1 8.501 0.02 A 104 LEU HA H 1 3.837 0.02 A 104 LEU HBy H 1 1.950 0.02 A 104 LEU HBx H 1 1.628 0.02 A 104 LEU HD1% H 1 0.797 0.02 A 104 LEU HD2% H 1 0.869 0.02 A 104 LEU HG H 1 1.687 0.02 A 104 LEU C C 13 179.880 0.4 A 104 LEU CA C 13 57.707 0.4 A 104 LEU CB C 13 41.419 0.4 A 104 LEU CD1 C 13 25.835 0.4 A 104 LEU CD2 C 13 23.872 0.4 A 104 LEU CG C 13 27.124 0.4 A 104 LEU N N 15 118.111 0.4 A 105 ILE H H 1 7.584 0.02 A 105 ILE HA H 1 3.684 0.02 A 105 ILE HB H 1 1.959 0.02 A 105 ILE HD1% H 1 0.838 0.02 A 105 ILE HG1y H 1 1.719 0.02 A 105 ILE HG1x H 1 1.149 0.02 A 105 ILE HG2% H 1 0.889 0.02 A 105 ILE C C 13 179.130 0.4 A 105 ILE CA C 13 64.408 0.4 A 105 ILE CB C 13 37.855 0.4 A 105 ILE CD1 C 13 12.940 0.4 A 105 ILE CG1 C 13 29.317 0.4 A 105 ILE CG2 C 13 17.230 0.4 A 105 ILE N N 15 119.230 0.4 A 106 ILE H H 1 7.619 0.02 A 106 ILE HA H 1 3.569 0.02 A 106 ILE HB H 1 1.989 0.02 A 106 ILE HD1% H 1 0.684 0.02 A 106 ILE HG1y H 1 1.931 0.02 A 106 ILE HG1x H 1 0.908 0.02 A 106 ILE HG2% H 1 0.814 0.02 A 106 ILE C C 13 177.927 0.4 A 106 ILE CA C 13 65.846 0.4 A 106 ILE CB C 13 38.102 0.4 A 106 ILE CD1 C 13 13.817 0.4 A 106 ILE CG1 C 13 29.342 0.4 A 106 ILE CG2 C 13 17.958 0.4 A 106 ILE N N 15 121.553 0.4 A 107 ILE H H 1 7.591 0.02 A 107 ILE HA H 1 4.276 0.02 A 107 ILE HB H 1 2.156 0.02 A 107 ILE HD1% H 1 0.753 0.02 A 107 ILE HG1y H 1 1.412 0.02 A 107 ILE HG1x H 1 1.357 0.02 A 107 ILE HG2% H 1 0.978 0.02 A 107 ILE C C 13 175.242 0.4 A 107 ILE CA C 13 62.024 0.4 A 107 ILE CB C 13 37.958 0.4 A 107 ILE CD1 C 13 14.798 0.4 A 107 ILE CG1 C 13 25.820 0.4 A 107 ILE CG2 C 13 18.282 0.4 A 107 ILE N N 15 108.796 0.4 A 108 SER H H 1 7.454 0.02 A 108 SER HA H 1 4.262 0.02 A 108 SER HB2 H 1 3.894 0.02 A 108 SER HB3 H 1 3.894 0.02 A 108 SER C C 13 174.094 0.4 A 108 SER CA C 13 58.968 0.4 A 108 SER CB C 13 63.578 0.4 A 108 SER N N 15 115.825 0.4 A 109 ARG H H 1 8.219 0.02 A 109 ARG HA H 1 4.470 0.02 A 109 ARG HBy H 1 1.767 0.02 A 109 ARG HBx H 1 1.635 0.02 A 109 ARG HD2 H 1 3.001 0.02 A 109 ARG HD3 H 1 3.001 0.02 A 109 ARG HG2 H 1 1.519 0.02 A 109 ARG HG3 H 1 1.519 0.02 A 109 ARG C C 13 173.697 0.4 A 109 ARG CA C 13 53.916 0.4 A 109 ARG CB C 13 29.669 0.4 A 109 ARG CD C 13 42.960 0.4 A 109 ARG CG C 13 26.304 0.4 A 109 ARG N N 15 122.646 0.4 A 110 PRO HA H 1 4.350 0.02 A 110 PRO HBy H 1 2.219 0.02 A 110 PRO HBx H 1 1.869 0.02 A 110 PRO HDy H 1 3.675 0.02 A 110 PRO HDx H 1 3.516 0.02 A 110 PRO HGy H 1 1.955 0.02 A 110 PRO HGx H 1 1.890 0.02 A 110 PRO CA C 13 62.924 0.4 A 110 PRO CB C 13 31.933 0.4 A 110 PRO CD C 13 50.267 0.4 A 110 PRO CG C 13 27.310 0.4 A 111 ALA H H 1 8.465 0.02 A 111 ALA HA H 1 4.256 0.02 A 111 ALA HB% H 1 1.364 0.02 A 111 ALA C C 13 176.835 0.4 A 111 ALA CA C 13 52.254 0.4 A 111 ALA CB C 13 19.081 0.4 A 111 ALA N N 15 124.604 0.4 A 112 ARG H H 1 7.956 0.02 A 112 ARG HA H 1 4.115 0.02 A 112 ARG HBy H 1 1.801 0.02 A 112 ARG HBx H 1 1.690 0.02 A 112 ARG HD2 H 1 3.130 0.02 A 112 ARG HD3 H 1 3.130 0.02 A 112 ARG HG2 H 1 1.550 0.02 A 112 ARG HG3 H 1 1.550 0.02 A 112 ARG CA C 13 57.247 0.4 A 112 ARG CB C 13 31.290 0.4 A 112 ARG CD C 13 43.354 0.4 A 112 ARG CG C 13 26.893 0.4 A 112 ARG N N 15 124.971 0.4 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 18 MET H A 19 GLU H 1.0 0.0 5.20 2 2 A 19 GLU H A 20 GLU H 1.0 0.0 4.96 3 3 A 19 GLU H A 18 MET HB2 1.0 0.0 4.47 4 3 A 19 GLU H A 18 MET HB3 1.0 0.0 4.47 5 4 A 20 GLU H A 20 GLU HB2 1.0 0.0 3.92 6 4 A 20 GLU H A 20 GLU HB3 1.0 0.0 3.92 7 5 A 21 LYS H A 22 LEU H 1.0 0.0 4.92 8 6 A 21 LYS H A 21 LYS HG2 1.0 0.0 5.06 9 6 A 21 LYS H A 21 LYS HG3 1.0 0.0 5.06 10 7 A 23 ARG H A 24 ASP H 1.0 0.0 4.79 11 8 A 23 ARG H A 23 ARG HG2 1.0 0.0 4.97 12 8 A 23 ARG H A 23 ARG HG3 1.0 0.0 4.97 13 9 A 23 ARG H A 57 LEU HD2% 1.0 0.0 5.04 14 10 A 24 ASP H A 23 ARG HB2 1.0 0.0 4.64 15 10 A 24 ASP H A 23 ARG HB3 1.0 0.0 4.64 16 11 A 26 THR H A 26 THR HG1 1.0 0.0 5.07 17 12 A 26 THR H A 27 ARG H 1.0 0.0 4.82 18 13 A 27 ARG H A 27 ARG HB2 1.0 0.0 4.15 19 13 A 27 ARG H A 27 ARG HB3 1.0 0.0 4.15 20 14 A 28 ALA H A 29 TYR H 1.0 0.0 4.55 21 15 A 28 ALA H A 27 ARG HB2 1.0 0.0 4.86 22 15 A 27 ARG HB3 A 28 ALA H 1.0 0.0 4.86 23 16 A 29 TYR H A 30 GLU H 1.0 0.0 4.92 24 17 A 32 ASP H A 33 SER H 1.0 0.0 5.29 25 18 A 33 SER H A 34 VAL H 1.0 0.0 4.85 26 19 A 34 VAL HB A 35 LEU H 1.0 0.0 4.34 27 20 A 41 VAL H A 41 VAL HG1% 1.0 0.0 4.76 28 21 A 41 VAL H A 42 LEU H 1.0 0.0 4.81 29 22 A 48 GLN H A 49 ILE H 1.0 0.0 4.87 30 23 A 48 GLN H A 47 HIS H 1.0 0.0 4.69 31 24 A 42 LEU H A 41 VAL HB 1.0 0.0 4.41 32 25 A 42 LEU H A 42 LEU HG 1.0 0.0 4.71 33 26 A 41 VAL HG1% A 42 LEU H 1.0 0.0 5.78 34 27 A 42 LEU H A 42 LEU HD2% 1.0 0.0 5.78 35 28 A 48 GLN H A 45 ILE HG2% 1.0 0.0 5.68 36 29 A 42 LEU H A 45 ILE HD1% 1.0 0.0 5.78 37 30 A 43 SER H A 44 PHE H 1.0 0.0 5.18 38 31 A 47 HIS H A 46 HIS H 1.0 0.0 5.17 39 32 A 45 ILE HG2% A 46 HIS H 1.0 0.0 4.80 40 33 A 47 HIS H A 47 HIS HB2 1.0 0.0 4.36 41 33 A 47 HIS H A 47 HIS HB3 1.0 0.0 4.36 42 34 A 48 GLN HE2y A 48 GLN HB2 1.0 0.0 4.92 43 34 A 48 GLN HB3 A 48 GLN HE2y 1.0 0.0 4.92 44 35 A 48 GLN H A 47 HIS HB2 1.0 0.0 5.13 45 35 A 48 GLN H A 47 HIS HB3 1.0 0.0 5.13 46 36 A 48 GLN HE2x A 48 GLN HB2 1.0 0.0 4.92 47 36 A 48 GLN HB3 A 48 GLN HE2x 1.0 0.0 4.92 48 37 A 49 ILE H A 50 ILE H 1.0 0.0 5.11 49 38 A 49 ILE H A 48 GLN HB2 1.0 0.0 4.81 50 38 A 49 ILE H A 48 GLN HB3 1.0 0.0 4.81 51 39 A 50 ILE H A 49 ILE HG2% 1.0 0.0 5.21 52 40 A 51 GLU H A 52 LEU H 1.0 0.0 4.84 53 41 A 50 ILE H A 51 GLU H 1.0 0.0 4.79 54 42 A 51 GLU H A 50 ILE HB 1.0 0.0 4.36 55 43 A 51 GLU H A 51 GLU HB2 1.0 0.0 4.12 56 43 A 51 GLU H A 51 GLU HB3 1.0 0.0 4.12 57 44 A 52 LEU H A 52 LEU HG 1.0 0.0 4.73 58 45 A 52 LEU H A 52 LEU HD1% 1.0 0.0 4.91 59 46 A 53 ALA H A 54 ARG H 1.0 0.0 4.68 60 47 A 52 LEU H A 53 ALA H 1.0 0.0 4.73 61 48 A 52 LEU HD1% A 53 ALA H 1.0 0.0 5.61 62 49 A 53 ALA H A 103 LEU HD2% 1.0 0.0 5.78 63 50 A 54 ARG H A 54 ARG HB2 1.0 0.0 4.29 64 50 A 54 ARG H A 54 ARG HB3 1.0 0.0 4.29 65 51 A 54 ARG H A 53 ALA HB% 1.0 0.0 4.63 66 52 A 52 LEU HA A 55 ASP H 1.0 0.0 5.09 67 53 A 55 ASP H A 55 ASP HB2 1.0 0.0 4.17 68 53 A 55 ASP H A 55 ASP HB3 1.0 0.0 4.17 69 54 A 55 ASP H A 54 ARG HB2 1.0 0.0 4.91 70 54 A 54 ARG HB3 A 55 ASP H 1.0 0.0 4.91 71 55 A 55 ASP H A 56 CYS H 1.0 0.0 4.70 72 56 A 56 CYS H A 57 LEU H 1.0 0.0 5.04 73 57 A 56 CYS H A 55 ASP HB2 1.0 0.0 4.69 74 57 A 55 ASP HB3 A 56 CYS H 1.0 0.0 4.69 75 58 A 57 LEU H A 58 THR H 1.0 0.0 4.73 76 59 A 57 LEU HD2% A 57 LEU H 1.0 0.0 4.82 77 60 A 58 THR H A 59 LYS H 1.0 0.0 4.75 78 61 A 58 THR H A 58 THR HB 1.0 0.0 4.38 79 62 A 58 THR H A 57 LEU HBy 1.0 0.0 5.62 80 63 A 58 THR H A 57 LEU HBx 1.0 0.0 5.62 81 64 A 58 THR H A 57 LEU HG 1.0 0.0 5.78 82 65 A 59 LYS H A 60 SER H 1.0 0.0 4.50 83 66 A 59 LYS H A 58 THR HB 1.0 0.0 4.85 84 67 A 59 LYS H A 58 THR HG2% 1.0 0.0 4.82 85 68 A 59 LYS H A 59 LYS HGy 1.0 0.0 5.57 86 69 A 59 LYS H A 59 LYS HGx 1.0 0.0 5.57 87 70 A 73 LEU HD1% A 77 LEU H 1.0 0.0 5.03 88 71 A 60 SER H A 60 SER HG 1.0 0.0 5.48 89 72 A 61 ARG H A 62 ASP H 1.0 0.0 4.61 90 73 A 62 ASP H A 61 ARG HB2 1.0 0.0 4.94 91 73 A 62 ASP H A 61 ARG HB3 1.0 0.0 4.94 92 74 A 63 GLY H A 64 LEU H 1.0 0.0 4.42 93 75 A 64 LEU H A 64 LEU HG 1.0 0.0 5.50 94 76 A 64 LEU H A 65 ILE H 1.0 0.0 4.46 95 77 A 65 ILE H A 65 ILE HB 1.0 0.0 4.39 96 78 A 65 ILE H A 65 ILE HG1y 1.0 0.0 4.85 97 79 A 65 ILE H A 65 ILE HG1x 1.0 0.0 4.85 98 80 A 108 SER H A 109 ARG H 1.0 0.0 5.16 99 81 A 108 SER H A 107 ILE H 1.0 0.0 4.47 100 82 A 67 THR HB A 68 VAL H 1.0 0.0 4.98 101 83 A 68 VAL H A 69 TYR H 1.0 0.0 4.89 102 84 A 69 TYR H A 69 TYR HD% 1.0 0.0 5.78 103 85 A 71 TYR H A 72 GLU H 1.0 0.0 4.67 104 86 A 72 GLU H A 71 TYR HB2 1.0 0.0 4.88 105 86 A 72 GLU H A 71 TYR HB3 1.0 0.0 4.88 106 87 A 73 LEU H A 74 GLN H 1.0 0.0 4.58 107 88 A 73 LEU H A 72 GLU HBy 1.0 0.0 5.51 108 89 A 74 GLN H A 74 GLN HB2 1.0 0.0 4.33 109 89 A 74 GLN H A 74 GLN HB3 1.0 0.0 4.33 110 90 A 75 GLU H A 76 ASN H 1.0 0.0 4.38 111 91 A 74 GLN H A 75 GLU H 1.0 0.0 4.56 112 92 A 75 GLU H A 75 GLU HB2 1.0 0.0 3.89 113 92 A 75 GLU H A 75 GLU HB3 1.0 0.0 3.89 114 93 A 52 LEU HD1% A 76 ASN HD2y 1.0 0.0 5.65 115 94 A 77 LEU H A 76 ASN H 1.0 0.0 4.77 116 95 A 76 ASN H A 73 LEU HA 1.0 0.0 5.05 117 96 A 76 ASN H A 72 GLU HA 1.0 0.0 5.50 118 97 A 76 ASN H A 75 GLU HB2 1.0 0.0 4.33 119 97 A 76 ASN H A 75 GLU HB3 1.0 0.0 4.33 120 98 A 52 LEU HD1% A 76 ASN HD2x 1.0 0.0 5.65 121 99 A 77 LEU H A 77 LEU HD1% 1.0 0.0 5.11 122 100 A 77 LEU H A 78 GLU H 1.0 0.0 4.89 123 101 A 78 GLU H A 79 LYS H 1.0 0.0 4.64 124 102 A 80 LEU H A 80 LEU HG 1.0 0.0 4.90 125 103 A 80 LEU H A 80 LEU HD2% 1.0 0.0 5.00 126 104 A 80 LEU H A 81 LEU H 1.0 0.0 4.77 127 105 A 81 LEU H A 81 LEU HD2% 1.0 0.0 4.99 128 106 A 81 LEU H A 82 GLN H 1.0 0.0 4.94 129 107 A 82 GLN H A 82 GLN HB2 1.0 0.0 4.06 130 107 A 82 GLN H A 82 GLN HB3 1.0 0.0 4.06 131 108 A 82 GLN H A 81 LEU HBy 1.0 0.0 5.03 132 109 A 82 GLN H A 81 LEU HBx 1.0 0.0 5.03 133 110 A 81 LEU HD2% A 82 GLN H 1.0 0.0 5.13 134 111 A 82 GLN H A 83 ASP H 1.0 0.0 4.67 135 112 A 84 ALA H A 85 TYR H 1.0 0.0 4.81 136 113 A 84 ALA H A 84 ALA HB% 1.0 0.0 4.12 137 114 A 45 ILE HD1% A 84 ALA H 1.0 0.0 4.62 138 115 A 85 TYR H A 86 GLU H 1.0 0.0 5.08 139 116 A 99 LEU H A 100 VAL H 1.0 0.0 4.64 140 117 A 109 ARG H A 108 SER HB2 1.0 0.0 5.29 141 117 A 109 ARG H A 108 SER HB3 1.0 0.0 5.29 142 118 A 97 THR H A 98 GLN H 1.0 0.0 4.82 143 119 A 99 LEU H A 98 GLN H 1.0 0.0 4.61 144 120 A 98 GLN H A 97 THR HB 1.0 0.0 4.73 145 121 A 99 LEU H A 99 LEU HG 1.0 0.0 5.10 146 122 A 100 VAL H A 101 LYS H 1.0 0.0 4.81 147 123 A 101 LYS H A 102 LYS H 1.0 0.0 4.91 148 124 A 101 LYS H A 100 VAL HB 1.0 0.0 5.06 149 125 A 101 LYS H A 101 LYS HD2 1.0 0.0 5.73 150 125 A 101 LYS H A 101 LYS HD3 1.0 0.0 5.73 151 126 A 103 LEU H A 104 LEU H 1.0 0.0 4.90 152 127 A 102 LYS H A 103 LEU H 1.0 0.0 5.18 153 128 A 104 LEU H A 105 ILE H 1.0 0.0 4.90 154 129 A 104 LEU H A 104 LEU HD2% 1.0 0.0 4.89 155 130 A 105 ILE H A 105 ILE HB 1.0 0.0 4.41 156 131 A 105 ILE H A 105 ILE HG1y 1.0 0.0 5.38 157 132 A 105 ILE HB A 106 ILE H 1.0 0.0 4.83 158 133 A 107 ILE H A 107 ILE HG1y 1.0 0.0 5.25 159 134 A 107 ILE H A 106 ILE HG2% 1.0 0.0 5.39 160 135 A 111 ALA HA A 112 ARG H 1.0 0.0 3.62 161 136 A 112 ARG H A 112 ARG HG2 1.0 0.0 4.35 162 136 A 112 ARG H A 112 ARG HG3 1.0 0.0 4.35 163 137 A 66 THR H A 69 TYR HBx 1.0 0.0 5.52 164 138 A 66 THR H A 69 TYR HBy 1.0 0.0 5.52 165 139 A 69 TYR H A 66 THR H 1.0 0.0 5.43 166 140 A 69 TYR HD% A 70 PHE H 1.0 0.0 5.42 167 141 A 99 LEU H A 99 LEU HD1% 1.0 0.0 5.30 168 142 A 99 LEU H A 97 THR HG2% 1.0 0.0 5.78 169 143 A 16 ALA H A 17 GLN H 1.0 0.0 5.78 170 144 A 18 MET H A 17 GLN H 1.0 0.0 5.78 171 145 A 22 LEU H A 23 ARG H 1.0 0.0 4.96 172 146 A 27 ARG H A 26 THR HG2% 1.0 0.0 5.38 173 147 A 48 GLN HE2x A 44 PHE HD% 1.0 0.0 5.35 174 148 A 48 GLN HE2y A 44 PHE HD% 1.0 0.0 5.35 175 149 A 49 ILE H A 80 LEU HD1% 1.0 0.0 5.22 176 150 A 54 ARG H A 55 ASP H 1.0 0.0 4.82 177 151 A 58 THR H A 57 LEU HD1% 1.0 0.0 5.43 178 152 A 57 LEU HD2% A 58 THR H 1.0 0.0 5.38 179 153 A 77 LEU H A 77 LEU HG 1.0 0.0 5.26 180 154 A 60 SER H A 61 ARG H 1.0 0.0 4.83 181 155 A 62 ASP H A 63 GLY H 1.0 0.0 4.69 182 156 A 63 GLY H A 65 ILE H 1.0 0.0 5.29 183 157 A 69 TYR H A 70 PHE H 1.0 0.0 5.15 184 158 A 76 ASN H A 76 ASN HD2y 1.0 0.0 5.48 185 159 A 76 ASN H A 76 ASN HD2x 1.0 0.0 5.48 186 160 A 83 ASP H A 84 ALA H 1.0 0.0 4.78 187 161 A 86 GLU H A 87 ARG H 1.0 0.0 5.57 188 162 A 100 VAL H A 97 THR HA 1.0 0.0 5.78 189 163 A 99 LEU H A 96 VAL HA 1.0 0.0 5.46 190 164 A 103 LEU HD2% A 104 LEU H 1.0 0.0 5.78 191 165 A 105 ILE H A 101 LYS HA 1.0 0.0 5.78 192 166 A 22 LEU H A 18 MET HE% 1.0 0.0 5.40 193 167 A 100 VAL H A 99 LEU HBy 1.0 0.0 5.59 194 168 A 100 VAL H A 99 LEU HBx 1.0 0.0 5.59 195 169 A 29 TYR H A 29 TYR HD% 1.0 0.0 5.20 196 170 A 46 HIS H A 45 ILE H 1.0 0.0 5.63 197 171 A 49 ILE H A 46 HIS H 1.0 0.0 5.42 198 172 A 22 LEU H A 23 ARG HG2 1.0 0.0 5.53 199 172 A 22 LEU H A 23 ARG HG3 1.0 0.0 5.53 200 173 A 87 ARG H A 87 ARG HD2 1.0 0.0 5.34 201 173 A 87 ARG H A 87 ARG HD3 1.0 0.0 5.34 202 174 A 58 THR H A 54 ARG HA 1.0 0.0 5.78 203 175 A 30 GLU H A 46 HIS HE1 1.0 0.0 5.39 204 176 A 30 GLU H A 50 ILE HD1% 1.0 0.0 5.78 205 177 A 82 GLN H A 82 GLN HG2 1.0 0.0 4.14 206 177 A 82 GLN H A 82 GLN HG3 1.0 0.0 4.14 207 178 A 18 MET HE% A 19 GLU HA 1.0 0.0 4.69 208 179 A 60 SER HG A 18 MET HE% 1.0 0.0 5.05 209 180 A 18 MET HE% A 14 ALA HB% 1.0 0.0 4.39 210 181 A 72 GLU H A 72 GLU HGy 1.0 0.0 5.04 211 182 A 78 GLU H A 78 GLU HGx 1.0 0.0 4.89 212 183 A 73 LEU H A 72 GLU HBx 1.0 0.0 5.51 213 184 A 20 GLU H A 20 GLU HGy 1.0 0.0 4.74 214 185 A 86 GLU HA A 86 GLU HGx 1.0 0.0 4.35 215 186 A 80 LEU H A 79 LYS HGx 1.0 0.0 5.74 216 187 A 35 LEU H A 35 LEU HG 1.0 0.0 4.64 217 188 A 45 ILE HD1% A 42 LEU HA 1.0 0.0 4.34 218 189 A 26 THR H A 26 THR HG2% 1.0 0.0 4.41 219 190 A 26 THR HG2% A 25 PHE HD% 1.0 0.0 4.89 220 191 A 26 THR HG2% A 26 THR HA 1.0 0.0 4.30 221 192 A 26 THR HG2% A 54 ARG HB2 1.0 0.0 5.78 222 192 A 54 ARG HB3 A 26 THR HG2% 1.0 0.0 5.78 223 193 A 27 ARG H A 27 ARG HGy 1.0 0.0 5.16 224 194 A 28 ALA H A 28 ALA HB% 1.0 0.0 3.97 225 195 A 29 TYR H A 28 ALA HB% 1.0 0.0 4.60 226 196 A 28 ALA HB% A 25 PHE HA 1.0 0.0 4.85 227 197 A 83 ASP H A 82 GLN HB2 1.0 0.0 4.80 228 197 A 82 GLN HB3 A 83 ASP H 1.0 0.0 4.80 229 198 A 30 GLU H A 30 GLU HGy 1.0 0.0 5.40 230 199 A 35 LEU H A 34 VAL HG2% 1.0 0.0 4.84 231 200 A 34 VAL HG2% A 95 PHE HZ 1.0 0.0 4.74 232 201 A 34 VAL HG2% A 34 VAL HA 1.0 0.0 4.32 233 202 A 34 VAL HG2% A 29 TYR HA 1.0 0.0 4.70 234 203 A 35 LEU H A 34 VAL HG1% 1.0 0.0 4.37 235 204 A 41 VAL H A 41 VAL HG2% 1.0 0.0 4.61 236 205 A 68 VAL H A 68 VAL HG2% 1.0 0.0 3.94 237 206 A 34 VAL HA A 34 VAL HG1% 1.0 0.0 4.04 238 207 A 41 VAL HG2% A 41 VAL HA 1.0 0.0 3.96 239 208 A 68 VAL HG2% A 68 VAL HA 1.0 0.0 4.16 240 209 A 35 LEU H A 35 LEU HD2% 1.0 0.0 4.62 241 210 A 35 LEU HD2% A 35 LEU HA 1.0 0.0 3.80 242 211 A 35 LEU HD2% A 36 PRO HDy 1.0 0.0 4.58 243 212 A 104 LEU HD2% A 101 LYS HA 1.0 0.0 5.11 244 213 A 35 LEU HD2% A 36 PRO HDx 1.0 0.0 4.58 245 214 A 35 LEU HA A 36 PRO HDx 1.0 0.0 4.26 246 215 A 35 LEU HA A 36 PRO HG2 1.0 0.0 5.49 247 215 A 35 LEU HA A 36 PRO HG3 1.0 0.0 5.49 248 216 A 35 LEU HB2 A 36 PRO HG2 1.0 0.0 5.27 249 216 A 35 LEU HB3 A 36 PRO HG2 1.0 0.0 5.27 250 216 A 36 PRO HG3 A 35 LEU HB2 1.0 0.0 5.27 251 216 A 36 PRO HG3 A 35 LEU HB3 1.0 0.0 5.27 252 217 A 41 VAL HG1% A 41 VAL HA 1.0 0.0 4.26 253 218 A 37 LEU HD2% A 92 GLU HGy 1.0 0.0 5.00 254 219 A 37 LEU HD2% A 37 LEU HB2 1.0 0.0 4.12 255 219 A 37 LEU HD2% A 37 LEU HB3 1.0 0.0 4.12 256 220 A 37 LEU H A 37 LEU HG 1.0 0.0 5.01 257 221 A 37 LEU H A 37 LEU HD1% 1.0 0.0 4.95 258 222 A 37 LEU HD1% A 95 PHE HD% 1.0 0.0 4.70 259 223 A 37 LEU HD1% A 37 LEU HB2 1.0 0.0 4.15 260 223 A 37 LEU HB3 A 37 LEU HD1% 1.0 0.0 4.15 261 224 A 45 ILE HD1% A 45 ILE H 1.0 0.0 5.08 262 225 A 45 ILE HD1% A 80 LEU HA 1.0 0.0 5.58 263 226 A 48 GLN H A 48 GLN HGy 1.0 0.0 4.80 264 227 A 44 PHE HD% A 48 GLN HGx 1.0 0.0 5.12 265 228 A 107 ILE H A 107 ILE HG2% 1.0 0.0 4.46 266 229 A 107 ILE HG2% A 107 ILE HA 1.0 0.0 4.13 267 230 A 46 HIS HA A 49 ILE HD1% 1.0 0.0 4.79 268 231 A 50 ILE HA A 50 ILE HG2% 1.0 0.0 4.46 269 232 A 50 ILE HD1% A 50 ILE HA 1.0 0.0 4.12 270 233 A 77 LEU H A 77 LEU HD2% 1.0 0.0 4.92 271 234 A 53 ALA H A 53 ALA HB% 1.0 0.0 4.11 272 235 A 53 ALA HB% A 50 ILE HA 1.0 0.0 4.43 273 236 A 54 ARG HA A 54 ARG HD2 1.0 0.0 5.24 274 236 A 54 ARG HA A 54 ARG HD3 1.0 0.0 5.24 275 237 A 58 THR H A 58 THR HG2% 1.0 0.0 4.49 276 238 A 58 THR HA A 61 ARG HB2 1.0 0.0 5.08 277 238 A 61 ARG HB3 A 58 THR HA 1.0 0.0 5.08 278 239 A 69 TYR HE% A 59 LYS HEy 1.0 0.0 5.33 279 240 A 64 LEU H A 64 LEU HD2% 1.0 0.0 4.80 280 241 A 107 ILE H A 107 ILE HG1x 1.0 0.0 5.25 281 242 A 107 ILE HB A 107 ILE HD1% 1.0 0.0 4.12 282 243 A 107 ILE HD1% A 104 LEU HG 1.0 0.0 5.78 283 244 A 66 THR H A 66 THR HG2% 1.0 0.0 4.51 284 245 A 57 LEU HD2% A 57 LEU HBx 1.0 0.0 4.16 285 246 A 73 LEU HD1% A 73 LEU HA 1.0 0.0 4.11 286 247 A 75 GLU H A 75 GLU HGy 1.0 0.0 4.85 287 248 A 79 LYS HA A 79 LYS HE2 1.0 0.0 5.13 288 248 A 79 LYS HA A 79 LYS HE3 1.0 0.0 5.13 289 249 A 100 VAL H A 100 VAL HGx% 1.0 0.0 4.90 290 250 A 100 VAL H A 100 VAL HGy% 1.0 0.0 4.90 291 251 A 80 LEU H A 80 LEU HD1% 1.0 0.0 5.00 292 252 A 80 LEU HD1% A 48 GLN HA 1.0 0.0 4.71 293 253 A 80 LEU HD1% A 48 GLN HB2 1.0 0.0 4.12 294 253 A 48 GLN HB3 A 80 LEU HD1% 1.0 0.0 4.12 295 254 A 85 TYR H A 84 ALA HB% 1.0 0.0 4.86 296 255 A 84 ALA HB% A 45 ILE HB 1.0 0.0 5.04 297 256 A 86 GLU H A 86 GLU HGy 1.0 0.0 4.91 298 257 A 86 GLU HA A 86 GLU HGy 1.0 0.0 4.35 299 258 A 86 GLU H A 86 GLU HGx 1.0 0.0 4.91 300 259 A 57 LEU H A 57 LEU HD1% 1.0 0.0 4.85 301 260 A 85 TYR HA A 93 VAL HG2% 1.0 0.0 4.83 302 261 A 93 VAL HG2% A 93 VAL HA 1.0 0.0 4.34 303 262 A 85 TYR HD% A 93 VAL HG1% 1.0 0.0 5.09 304 263 A 85 TYR HA A 93 VAL HG1% 1.0 0.0 4.69 305 264 A 94 ALA HB% A 95 PHE H 1.0 0.0 4.34 306 265 A 94 ALA HB% A 91 LEU HD2% 1.0 0.0 4.45 307 266 A 96 VAL H A 96 VAL HG2% 1.0 0.0 4.79 308 267 A 96 VAL HA A 96 VAL HG2% 1.0 0.0 4.20 309 268 A 97 THR H A 97 THR HG2% 1.0 0.0 4.64 310 269 A 97 THR HG2% A 97 THR HA 1.0 0.0 4.16 311 270 A 95 PHE HE% A 99 LEU HD2% 1.0 0.0 5.05 312 271 A 99 LEU HD2% A 99 LEU HA 1.0 0.0 4.65 313 272 A 99 LEU HD1% A 95 PHE HE% 1.0 0.0 4.90 314 273 A 101 LYS H A 100 VAL HGx% 1.0 0.0 5.13 315 274 A 103 LEU HA A 103 LEU HD1% 1.0 0.0 4.39 316 275 A 104 LEU HA A 107 ILE HG1y 1.0 0.0 5.78 317 276 A 104 LEU HA A 107 ILE HG1x 1.0 0.0 5.78 318 277 A 104 LEU HD2% A 104 LEU HA 1.0 0.0 4.65 319 278 A 104 LEU HA A 104 LEU HD1% 1.0 0.0 4.40 320 279 A 104 LEU HD1% A 107 ILE HG1y 1.0 0.0 5.01 321 280 A 104 LEU HD1% A 107 ILE HG1x 1.0 0.0 5.01 322 281 A 105 ILE H A 105 ILE HG2% 1.0 0.0 4.47 323 282 A 106 ILE H A 105 ILE HG2% 1.0 0.0 4.87 324 283 A 105 ILE H A 105 ILE HG1x 1.0 0.0 5.38 325 284 A 105 ILE H A 105 ILE HD1% 1.0 0.0 4.57 326 285 A 105 ILE HD1% A 102 LYS HA 1.0 0.0 4.23 327 286 A 106 ILE H A 106 ILE HD1% 1.0 0.0 4.94 328 287 A 65 ILE H A 65 ILE HG2% 1.0 0.0 4.75 329 288 A 66 THR H A 65 ILE HG2% 1.0 0.0 4.64 330 289 A 65 ILE HG2% A 65 ILE HG1y 1.0 0.0 4.36 331 290 A 60 SER H A 65 ILE HD1% 1.0 0.0 4.78 332 291 A 69 TYR HD% A 65 ILE HD1% 1.0 0.0 4.27 333 292 A 110 PRO HA A 111 ALA HB% 1.0 0.0 4.55 334 293 A 111 ALA HB% A 111 ALA H 1.0 0.0 4.08 335 294 A 112 ARG H A 111 ALA HB% 1.0 0.0 4.36 336 295 A 112 ARG HA A 112 ARG HD2 1.0 0.0 4.87 337 295 A 112 ARG HA A 112 ARG HD3 1.0 0.0 4.87 338 296 A 16 ALA H A 16 ALA HB% 1.0 0.0 4.21 339 297 A 14 ALA HB% A 15 THR H 1.0 0.0 4.78 340 298 A 15 THR HA A 15 THR HG2% 1.0 0.0 3.93 341 299 A 58 THR HG2% A 58 THR HA 1.0 0.0 3.80 342 300 A 17 GLN H A 16 ALA HB% 1.0 0.0 4.80 343 301 A 18 MET HE% A 15 THR HA 1.0 0.0 4.43 344 302 A 18 MET HE% A 18 MET HA 1.0 0.0 4.63 345 303 A 18 MET HE% A 19 GLU HB2 1.0 0.0 4.87 346 303 A 18 MET HE% A 19 GLU HB3 1.0 0.0 4.87 347 304 A 18 MET HE% A 15 THR HG2% 1.0 0.0 4.23 348 305 A 18 MET HE% A 107 ILE HG2% 1.0 0.0 3.95 349 306 A 18 MET HE% A 65 ILE HD1% 1.0 0.0 3.98 350 307 A 51 GLU H A 51 GLU HGy 1.0 0.0 4.87 351 308 A 20 GLU H A 20 GLU HGx 1.0 0.0 4.74 352 309 A 53 ALA HB% A 54 ARG HA 1.0 0.0 4.42 353 310 A 27 ARG HA A 27 ARG HD2 1.0 0.0 4.99 354 310 A 27 ARG HA A 27 ARG HD3 1.0 0.0 4.99 355 311 A 23 ARG HA A 23 ARG HD2 1.0 0.0 4.99 356 311 A 23 ARG HA A 23 ARG HD3 1.0 0.0 4.99 357 312 A 27 ARG HB3 A 27 ARG HD2 1.0 0.0 4.38 358 312 A 27 ARG HB2 A 27 ARG HD2 1.0 0.0 4.38 359 312 A 27 ARG HD3 A 27 ARG HB2 1.0 0.0 4.38 360 312 A 27 ARG HB3 A 27 ARG HD3 1.0 0.0 4.38 361 313 A 54 ARG H A 26 THR HG2% 1.0 0.0 5.19 362 314 A 26 THR HG2% A 50 ILE HG2% 1.0 0.0 4.14 363 315 A 26 THR HG2% A 50 ILE HD1% 1.0 0.0 4.59 364 316 A 27 ARG H A 27 ARG HGx 1.0 0.0 5.16 365 317 A 29 TYR HD% A 28 ALA HB% 1.0 0.0 5.15 366 318 A 65 ILE HG2% A 65 ILE HG1x 1.0 0.0 4.36 367 319 A 34 VAL H A 34 VAL HG2% 1.0 0.0 4.05 368 320 A 34 VAL HG2% A 29 TYR HE% 1.0 0.0 5.63 369 321 A 77 LEU HD2% A 77 LEU HBy 1.0 0.0 3.94 370 322 A 35 LEU HD2% A 35 LEU HB2 1.0 0.0 3.60 371 322 A 35 LEU HD2% A 35 LEU HB3 1.0 0.0 3.60 372 323 A 35 LEU HA A 36 PRO HDy 1.0 0.0 4.26 373 324 A 109 ARG HA A 109 ARG HG2 1.0 0.0 4.35 374 324 A 109 ARG HA A 109 ARG HG3 1.0 0.0 4.35 375 325 A 35 LEU H A 35 LEU HD1% 1.0 0.0 4.78 376 326 A 35 LEU HA A 35 LEU HD1% 1.0 0.0 4.62 377 327 A 64 LEU HA A 64 LEU HD1% 1.0 0.0 5.15 378 328 A 81 LEU HD2% A 81 LEU HBx 1.0 0.0 4.34 379 329 A 35 LEU HD1% A 35 LEU HB2 1.0 0.0 3.49 380 329 A 35 LEU HB3 A 35 LEU HD1% 1.0 0.0 3.49 381 330 A 69 TYR H A 68 VAL HB 1.0 0.0 4.79 382 331 A 68 VAL H A 68 VAL HB 1.0 0.0 4.40 383 332 A 41 VAL HG1% A 87 ARG HD2 1.0 0.0 4.55 384 332 A 41 VAL HG1% A 87 ARG HD3 1.0 0.0 4.55 385 333 A 37 LEU HD2% A 37 LEU H 1.0 0.0 5.00 386 334 A 37 LEU HD2% A 37 LEU HA 1.0 0.0 3.83 387 335 A 37 LEU HD2% A 92 GLU HGx 1.0 0.0 5.00 388 336 A 37 LEU HD2% A 96 VAL HG2% 1.0 0.0 4.49 389 337 A 37 LEU HD1% A 43 SER HA 1.0 0.0 4.48 390 338 A 37 LEU HD1% A 37 LEU HA 1.0 0.0 4.78 391 339 A 37 LEU HD1% A 46 HIS HBx 1.0 0.0 5.31 392 340 A 37 LEU HD1% A 96 VAL HG2% 1.0 0.0 3.97 393 341 A 45 ILE HG2% A 42 LEU HA 1.0 0.0 5.42 394 342 A 45 ILE HG2% A 80 LEU HA 1.0 0.0 5.78 395 343 A 105 ILE HG2% A 105 ILE HG1x 1.0 0.0 4.21 396 344 A 45 ILE HD1% A 84 ALA HA 1.0 0.0 5.08 397 345 A 45 ILE HD1% A 45 ILE HA 1.0 0.0 5.30 398 346 A 45 ILE HD1% A 83 ASP HBy 1.0 0.0 5.05 399 347 A 45 ILE HD1% A 83 ASP HBx 1.0 0.0 5.05 400 348 A 50 ILE HB A 47 HIS HA 1.0 0.0 5.11 401 349 A 80 LEU HD2% A 48 GLN HGy 1.0 0.0 5.70 402 350 A 80 LEU HD1% A 48 GLN HGy 1.0 0.0 5.10 403 351 A 48 GLN H A 48 GLN HGx 1.0 0.0 4.80 404 352 A 80 LEU HD2% A 48 GLN HGx 1.0 0.0 5.70 405 353 A 80 LEU HD1% A 48 GLN HGx 1.0 0.0 5.10 406 354 A 49 ILE HG2% A 95 PHE HZ 1.0 0.0 4.51 407 355 A 49 ILE HD1% A 49 ILE HA 1.0 0.0 5.13 408 356 A 50 ILE HG2% A 30 GLU HA 1.0 0.0 4.74 409 357 A 50 ILE HG2% A 31 PRO HDy 1.0 0.0 5.02 410 358 A 50 ILE HG2% A 31 PRO HDx 1.0 0.0 5.02 411 359 A 50 ILE HG2% A 31 PRO HG2 1.0 0.0 4.71 412 359 A 50 ILE HG2% A 31 PRO HG3 1.0 0.0 4.71 413 360 A 50 ILE HD1% A 50 ILE HG2% 1.0 0.0 3.89 414 361 A 50 ILE HD1% A 30 GLU HA 1.0 0.0 5.06 415 362 A 51 GLU H A 51 GLU HGx 1.0 0.0 4.87 416 363 A 77 LEU HD2% A 77 LEU HA 1.0 0.0 4.05 417 364 A 104 LEU HD2% A 74 GLN HA 1.0 0.0 5.78 418 365 A 104 LEU HD2% A 105 ILE HA 1.0 0.0 5.78 419 366 A 52 LEU HD1% A 49 ILE HA 1.0 0.0 4.85 420 367 A 53 ALA HB% A 25 PHE HE% 1.0 0.0 4.75 421 368 A 53 ALA HB% A 50 ILE HG2% 1.0 0.0 4.60 422 369 A 53 ALA HB% A 22 LEU HD2% 1.0 0.0 4.33 423 370 A 53 ALA HB% A 103 LEU HD1% 1.0 0.0 4.60 424 371 A 57 LEU HD2% A 23 ARG HA 1.0 0.0 4.24 425 372 A 57 LEU HD2% A 57 LEU HA 1.0 0.0 4.80 426 373 A 57 LEU HD2% A 57 LEU HBy 1.0 0.0 4.16 427 374 A 57 LEU HD1% A 60 SER HB2 1.0 0.0 4.91 428 374 A 57 LEU HD1% A 60 SER HB3 1.0 0.0 4.91 429 375 A 57 LEU HD1% A 57 LEU HA 1.0 0.0 3.95 430 376 A 57 LEU HD1% A 19 GLU HA 1.0 0.0 4.37 431 377 A 57 LEU HD1% A 19 GLU HB2 1.0 0.0 4.89 432 377 A 57 LEU HD1% A 19 GLU HB3 1.0 0.0 4.89 433 378 A 57 LEU HD1% A 23 ARG HG2 1.0 0.0 5.03 434 378 A 23 ARG HG3 A 57 LEU HD1% 1.0 0.0 5.03 435 379 A 59 LYS HA A 59 LYS HD2 1.0 0.0 5.26 436 379 A 59 LYS HA A 59 LYS HD3 1.0 0.0 5.26 437 380 A 69 TYR HE% A 59 LYS HEx 1.0 0.0 5.33 438 381 A 64 LEU HD2% A 64 LEU HA 1.0 0.0 3.55 439 382 A 64 LEU HD2% A 65 ILE HG2% 1.0 0.0 5.16 440 383 A 81 LEU HD2% A 81 LEU HA 1.0 0.0 4.62 441 384 A 81 LEU HD2% A 81 LEU HBy 1.0 0.0 4.34 442 385 A 107 ILE H A 107 ILE HD1% 1.0 0.0 5.12 443 386 A 107 ILE HD1% A 70 PHE HE% 1.0 0.0 5.78 444 387 A 107 ILE HA A 107 ILE HD1% 1.0 0.0 4.73 445 388 A 107 ILE HD1% A 104 LEU HA 1.0 0.0 4.82 446 389 A 107 ILE HD1% A 74 GLN HA 1.0 0.0 4.99 447 390 A 107 ILE HG2% A 107 ILE HD1% 1.0 0.0 3.46 448 391 A 68 VAL H A 67 THR HG2% 1.0 0.0 4.99 449 392 A 67 THR HG2% A 67 THR HA 1.0 0.0 4.00 450 393 A 68 VAL HG2% A 67 THR HG2% 1.0 0.0 4.34 451 394 A 69 TYR H A 68 VAL HG2% 1.0 0.0 4.75 452 395 A 69 TYR H A 68 VAL HG1% 1.0 0.0 4.80 453 396 A 68 VAL H A 68 VAL HG1% 1.0 0.0 4.73 454 397 A 68 VAL HG1% A 69 TYR HA 1.0 0.0 5.02 455 398 A 73 LEU HD1% A 77 LEU HG 1.0 0.0 4.27 456 399 A 75 GLU H A 75 GLU HGx 1.0 0.0 4.85 457 400 A 73 LEU HA A 76 ASN HBx 1.0 0.0 5.04 458 401 A 52 LEU HD1% A 76 ASN HBx 1.0 0.0 5.31 459 402 A 73 LEU HA A 76 ASN HBy 1.0 0.0 5.04 460 403 A 73 LEU HD1% A 76 ASN HBy 1.0 0.0 5.26 461 404 A 52 LEU HD1% A 76 ASN HBy 1.0 0.0 5.31 462 405 A 52 LEU H A 52 LEU HD2% 1.0 0.0 4.64 463 406 A 52 LEU HA A 52 LEU HD2% 1.0 0.0 3.71 464 407 A 52 LEU HD2% A 55 ASP HB2 1.0 0.0 5.10 465 407 A 55 ASP HB3 A 52 LEU HD2% 1.0 0.0 5.10 466 408 A 52 LEU HD2% A 52 LEU HBx 1.0 0.0 4.15 467 409 A 80 LEU H A 79 LYS HGy 1.0 0.0 5.74 468 410 A 79 LYS HA A 79 LYS HDy 1.0 0.0 5.23 469 411 A 79 LYS HA A 79 LYS HDx 1.0 0.0 5.23 470 412 A 101 LYS H A 100 VAL HGy% 1.0 0.0 5.13 471 413 A 80 LEU HD2% A 80 LEU HA 1.0 0.0 3.77 472 414 A 80 LEU HD2% A 45 ILE HA 1.0 0.0 4.61 473 415 A 100 VAL HA A 100 VAL HGx% 1.0 0.0 4.33 474 416 A 100 VAL HA A 100 VAL HGy% 1.0 0.0 4.33 475 417 A 80 LEU HD1% A 45 ILE HA 1.0 0.0 5.17 476 418 A 97 THR HA A 81 LEU HD1% 1.0 0.0 3.98 477 419 A 100 VAL HB A 81 LEU HD1% 1.0 0.0 4.44 478 420 A 83 ASP HA A 82 GLN HB2 1.0 0.0 5.28 479 420 A 82 GLN HB3 A 83 ASP HA 1.0 0.0 5.28 480 421 A 83 ASP H A 82 GLN HG2 1.0 0.0 5.05 481 421 A 83 ASP H A 82 GLN HG3 1.0 0.0 5.05 482 422 A 82 GLN HA A 82 GLN HG2 1.0 0.0 4.18 483 422 A 82 GLN HG3 A 82 GLN HA 1.0 0.0 4.18 484 423 A 45 ILE HD1% A 84 ALA HB% 1.0 0.0 3.68 485 424 A 85 TYR H A 93 VAL HG1% 1.0 0.0 5.54 486 425 A 93 VAL HG1% A 94 ALA H 1.0 0.0 5.78 487 426 A 94 ALA HB% A 94 ALA H 1.0 0.0 3.93 488 427 A 94 ALA HB% A 91 LEU HA 1.0 0.0 4.04 489 428 A 93 VAL HA A 96 VAL HG2% 1.0 0.0 5.05 490 429 A 52 LEU HD2% A 52 LEU HBy 1.0 0.0 4.15 491 430 A 99 LEU HD1% A 96 VAL HA 1.0 0.0 5.19 492 431 A 91 LEU HD2% A 91 LEU HA 1.0 0.0 3.63 493 432 A 98 GLN HA A 101 LYS HE2 1.0 0.0 4.88 494 432 A 98 GLN HA A 101 LYS HE3 1.0 0.0 4.88 495 433 A 101 LYS HB3 A 101 LYS HE2 1.0 0.0 4.86 496 433 A 101 LYS HB2 A 101 LYS HE2 1.0 0.0 4.86 497 433 A 101 LYS HE3 A 101 LYS HB2 1.0 0.0 4.86 498 433 A 101 LYS HE3 A 101 LYS HB3 1.0 0.0 4.86 499 434 A 101 LYS HA A 101 LYS HD2 1.0 0.0 5.04 500 434 A 101 LYS HD3 A 101 LYS HA 1.0 0.0 5.04 501 435 A 103 LEU HD2% A 53 ALA HB% 1.0 0.0 4.67 502 436 A 103 LEU HD1% A 53 ALA HA 1.0 0.0 5.16 503 437 A 107 ILE HG2% A 103 LEU HD1% 1.0 0.0 4.32 504 438 A 77 LEU HD2% A 77 LEU HBx 1.0 0.0 3.94 505 439 A 104 LEU H A 104 LEU HD1% 1.0 0.0 5.09 506 440 A 105 ILE HG2% A 102 LYS HA 1.0 0.0 5.03 507 441 A 105 ILE HG2% A 105 ILE HA 1.0 0.0 4.08 508 442 A 105 ILE HG2% A 105 ILE HG1y 1.0 0.0 4.21 509 443 A 105 ILE HD1% A 105 ILE HA 1.0 0.0 4.47 510 444 A 105 ILE HB A 105 ILE HD1% 1.0 0.0 3.87 511 445 A 106 ILE HG2% A 18 MET HGx 1.0 0.0 5.10 512 446 A 106 ILE HG2% A 22 LEU HG 1.0 0.0 5.17 513 447 A 106 ILE HG2% A 106 ILE HD1% 1.0 0.0 3.86 514 448 A 103 LEU HA A 106 ILE HD1% 1.0 0.0 4.53 515 449 A 106 ILE HD1% A 25 PHE HBy 1.0 0.0 5.24 516 450 A 106 ILE HD1% A 25 PHE HBx 1.0 0.0 5.24 517 451 A 106 ILE HD1% A 106 ILE HB 1.0 0.0 3.93 518 452 A 65 ILE HG2% A 70 PHE HD% 1.0 0.0 5.18 519 453 A 65 ILE HD1% A 70 PHE HZ 1.0 0.0 5.00 520 454 A 65 ILE HD1% A 60 SER HB2 1.0 0.0 4.64 521 454 A 65 ILE HD1% A 60 SER HB3 1.0 0.0 4.64 522 455 A 65 ILE HD1% A 60 SER HA 1.0 0.0 4.53 523 456 A 60 SER HG A 65 ILE HD1% 1.0 0.0 4.71 524 457 A 65 ILE HD1% A 65 ILE HA 1.0 0.0 4.68 525 458 A 109 ARG HA A 109 ARG HD2 1.0 0.0 5.10 526 458 A 109 ARG HA A 109 ARG HD3 1.0 0.0 5.10 527 459 A 112 ARG HA A 112 ARG HG2 1.0 0.0 4.39 528 459 A 112 ARG HG3 A 112 ARG HA 1.0 0.0 4.39 529 460 A 112 ARG HD3 A 112 ARG HBy 1.0 0.0 4.33 530 460 A 112 ARG HBy A 112 ARG HD2 1.0 0.0 4.33 531 461 A 112 ARG HD3 A 112 ARG HBx 1.0 0.0 4.33 532 461 A 112 ARG HBx A 112 ARG HD2 1.0 0.0 4.33 533 462 A 18 MET HE% A 107 ILE HA 1.0 0.0 4.44 534 463 A 19 GLU H A 18 MET HE% 1.0 0.0 5.01 535 464 A 18 MET HE% A 70 PHE HE% 1.0 0.0 4.74 536 465 A 91 LEU HA A 91 LEU HD1% 1.0 0.0 4.70 537 466 A 103 LEU HD1% A 106 ILE HD1% 1.0 0.0 4.77 538 467 A 25 PHE HA A 106 ILE HD1% 1.0 0.0 5.25 539 468 A 106 ILE HD1% A 22 LEU HA 1.0 0.0 5.38 540 469 A 45 ILE HG2% A 45 ILE H 1.0 0.0 5.44 541 470 A 106 ILE H A 106 ILE HG2% 1.0 0.0 5.78 542 471 A 22 LEU H A 106 ILE HG2% 1.0 0.0 5.54 543 472 A 49 ILE H A 49 ILE HD1% 1.0 0.0 5.32 544 473 A 49 ILE H A 49 ILE HG2% 1.0 0.0 5.20 545 474 A 94 ALA HB% A 93 VAL HB 1.0 0.0 5.33 546 475 A 103 LEU HD1% A 22 LEU HD2% 1.0 0.0 4.40 547 476 A 22 LEU HD2% A 53 ALA HA 1.0 0.0 4.91 548 477 A 81 LEU HD2% A 82 GLN HG2 1.0 0.0 4.95 549 477 A 81 LEU HD2% A 82 GLN HG3 1.0 0.0 4.95 550 478 A 64 LEU H A 64 LEU HD1% 1.0 0.0 5.25 551 479 A 37 LEU HD1% A 46 HIS HBy 1.0 0.0 5.31 552 480 A 22 LEU H A 22 LEU HD1% 1.0 0.0 5.78 553 481 A 46 HIS H A 37 LEU HD1% 1.0 0.0 5.78 554 482 A 53 ALA HB% A 26 THR HG2% 1.0 0.0 3.71 555 483 A 99 LEU HD1% A 95 PHE HZ 1.0 0.0 5.50 556 484 A 99 LEU HD1% A 95 PHE HD% 1.0 0.0 5.32 557 485 A 95 PHE HD% A 99 LEU HD2% 1.0 0.0 5.40 558 486 A 29 TYR HD% A 99 LEU HD2% 1.0 0.0 5.41 559 487 A 99 LEU H A 99 LEU HD2% 1.0 0.0 5.45 560 488 A 18 MET HE% A 15 THR H 1.0 0.0 5.38 561 489 A 106 ILE HG2% A 103 LEU HD1% 1.0 0.0 5.29 562 490 A 37 LEU HD2% A 95 PHE HE% 1.0 0.0 5.33 563 491 A 99 LEU HD1% A 49 ILE HD1% 1.0 0.0 5.22 564 492 A 99 LEU HG A 49 ILE HD1% 1.0 0.0 4.76 565 493 A 49 ILE HD1% A 99 LEU HBx 1.0 0.0 5.28 566 494 A 49 ILE HD1% A 99 LEU HBy 1.0 0.0 5.28 567 495 A 78 GLU H A 77 LEU HD2% 1.0 0.0 5.23 568 496 A 73 LEU H A 73 LEU HD2% 1.0 0.0 5.26 569 497 A 70 PHE HD% A 73 LEU HD2% 1.0 0.0 5.55 570 498 A 53 ALA H A 52 LEU HD2% 1.0 0.0 5.75 571 499 A 56 CYS H A 52 LEU HD2% 1.0 0.0 5.78 572 500 A 85 TYR HD% A 81 LEU HD1% 1.0 0.0 5.58 573 501 A 100 VAL H A 81 LEU HD1% 1.0 0.0 5.46 574 502 A 84 ALA HB% A 81 LEU HD1% 1.0 0.0 4.66 575 503 A 81 LEU HD2% A 101 LYS HE2 1.0 0.0 5.04 576 503 A 81 LEU HD2% A 101 LYS HE3 1.0 0.0 5.04 577 504 A 93 VAL HG2% A 91 LEU HA 1.0 0.0 5.24 578 505 A 97 THR H A 96 VAL HG2% 1.0 0.0 5.22 579 506 A 73 LEU HD2% A 56 CYS HBy 1.0 0.0 5.78 580 507 A 77 LEU HD1% A 73 LEU HD2% 1.0 0.0 5.33 581 508 A 107 ILE HD1% A 73 LEU HD2% 1.0 0.0 5.78 582 509 A 103 LEU HD1% A 106 ILE HB 1.0 0.0 5.16 583 510 A 53 ALA HB% A 50 ILE HD1% 1.0 0.0 5.52 584 511 A 50 ILE HD1% A 29 TYR HB2 1.0 0.0 5.44 585 511 A 50 ILE HD1% A 29 TYR HB3 1.0 0.0 5.44 586 512 A 50 ILE H A 50 ILE HD1% 1.0 0.0 5.38 587 513 A 74 GLN H A 107 ILE HD1% 1.0 0.0 5.48 588 514 A 50 ILE H A 50 ILE HG2% 1.0 0.0 5.23 589 515 A 51 GLU H A 50 ILE HG2% 1.0 0.0 5.33 590 516 A 93 VAL HG1% A 85 TYR HE% 1.0 0.0 5.54 591 517 A 106 ILE H A 103 LEU HD1% 1.0 0.0 5.78 592 518 A 107 ILE H A 103 LEU HD1% 1.0 0.0 5.78 593 519 A 25 PHE HD% A 103 LEU HD1% 1.0 0.0 5.59 594 520 A 28 ALA HB% A 29 TYR HB2 1.0 0.0 5.53 595 520 A 28 ALA HB% A 29 TYR HB3 1.0 0.0 5.53 596 521 A 65 ILE H A 65 ILE HD1% 1.0 0.0 5.46 597 522 A 65 ILE HG2% A 70 PHE HE% 1.0 0.0 4.89 598 523 A 96 VAL HA A 99 LEU HD2% 1.0 0.0 5.26 599 524 A 80 LEU HD1% A 80 LEU HA 1.0 0.0 5.16 600 525 A 53 ALA HB% A 22 LEU HB2 1.0 0.0 5.24 601 525 A 53 ALA HB% A 22 LEU HB3 1.0 0.0 5.24 602 526 A 53 ALA HB% A 54 ARG HB2 1.0 0.0 5.02 603 526 A 54 ARG HB3 A 53 ALA HB% 1.0 0.0 5.02 604 527 A 53 ALA HB% A 25 PHE HD% 1.0 0.0 4.81 605 528 A 53 ALA HB% A 22 LEU HA 1.0 0.0 5.78 606 529 A 53 ALA HB% A 52 LEU HA 1.0 0.0 5.78 607 530 A 95 PHE HZ A 99 LEU HD2% 1.0 0.0 5.21 608 531 A 59 LYS H A 65 ILE HD1% 1.0 0.0 5.55 609 532 A 15 THR HG2% A 18 MET HB2 1.0 0.0 5.21 610 532 A 18 MET HB3 A 15 THR HG2% 1.0 0.0 5.21 611 533 A 16 ALA H A 15 THR HG2% 1.0 0.0 5.37 612 534 A 99 LEU HD1% A 99 LEU HA 1.0 0.0 5.19 613 535 A 81 LEU HA A 81 LEU HD1% 1.0 0.0 4.86 614 536 A 81 LEU H A 81 LEU HD1% 1.0 0.0 5.78 615 537 A 101 LYS H A 81 LEU HD1% 1.0 0.0 5.78 616 538 A 106 ILE HG2% A 18 MET HE% 1.0 0.0 4.64 617 539 A 34 VAL HG1% A 29 TYR HB2 1.0 0.0 4.91 618 539 A 34 VAL HG1% A 29 TYR HB3 1.0 0.0 4.91 619 540 A 50 ILE HG2% A 29 TYR HB2 1.0 0.0 5.48 620 540 A 50 ILE HG2% A 29 TYR HB3 1.0 0.0 5.48 621 541 A 13 LYS HA A 13 LYS HD2 1.0 0.0 5.26 622 541 A 13 LYS HA A 13 LYS HD3 1.0 0.0 5.26 623 542 A 50 ILE HD1% A 26 THR HA 1.0 0.0 5.49 624 543 A 57 LEU HD2% A 23 ARG HD2 1.0 0.0 5.68 625 543 A 57 LEU HD2% A 23 ARG HD3 1.0 0.0 5.68 626 544 A 69 TYR HE% A 59 LYS HD2 1.0 0.0 5.17 627 544 A 69 TYR HE% A 59 LYS HD3 1.0 0.0 5.17 628 545 A 104 LEU HD1% A 74 GLN HGy 1.0 0.0 5.78 629 546 A 104 LEU HD1% A 74 GLN HGx 1.0 0.0 5.78 630 547 A 61 ARG H A 61 ARG HGy 1.0 0.0 5.62 631 548 A 61 ARG H A 61 ARG HGx 1.0 0.0 5.62 632 549 A 73 LEU HD1% A 73 LEU H 1.0 0.0 5.03 633 550 A 52 LEU HD1% A 77 LEU HA 1.0 0.0 5.78 634 551 A 77 LEU HD1% A 77 LEU HA 1.0 0.0 5.78 635 552 A 81 LEU HD1% A 101 LYS HE2 1.0 0.0 4.36 636 552 A 81 LEU HD1% A 101 LYS HE3 1.0 0.0 4.36 637 553 A 101 LYS H A 101 LYS HE2 1.0 0.0 5.35 638 553 A 101 LYS H A 101 LYS HE3 1.0 0.0 5.35 639 554 A 105 ILE HD1% A 102 LYS HE2 1.0 0.0 5.62 640 554 A 105 ILE HD1% A 102 LYS HE3 1.0 0.0 5.62 641 555 A 106 ILE HG2% A 21 LYS HE2 1.0 0.0 5.78 642 555 A 106 ILE HG2% A 21 LYS HE3 1.0 0.0 5.78 643 556 A 106 ILE HG2% A 18 MET HGy 1.0 0.0 5.10 644 557 A 102 LYS H A 101 LYS HE2 1.0 0.0 5.38 645 557 A 102 LYS H A 101 LYS HE3 1.0 0.0 5.38 646 558 A 85 TYR HE% A 101 LYS HE2 1.0 0.0 5.42 647 558 A 101 LYS HE3 A 85 TYR HE% 1.0 0.0 5.42 648 559 A 33 SER H A 34 VAL HG2% 1.0 0.0 5.24 649 560 A 34 VAL HG1% A 29 TYR HE% 1.0 0.0 5.78 650 561 A 34 VAL HG1% A 95 PHE HE% 1.0 0.0 5.78 651 562 A 25 PHE HD% A 25 PHE HA 1.0 0.0 5.16 652 563 A 65 ILE HG2% A 60 SER HA 1.0 0.0 5.26 653 564 A 54 ARG HB2 A 54 ARG HD2 1.0 0.0 4.44 654 564 A 54 ARG HB3 A 54 ARG HD2 1.0 0.0 4.44 655 564 A 54 ARG HD3 A 54 ARG HB2 1.0 0.0 4.44 656 564 A 54 ARG HB3 A 54 ARG HD3 1.0 0.0 4.44 657 565 A 22 LEU HD2% A 22 LEU HA 1.0 0.0 4.42 658 566 A 101 LYS HA A 105 ILE HD1% 1.0 0.0 5.78 659 567 A 72 GLU H A 72 GLU HGx 1.0 0.0 5.04 660 568 A 99 LEU HA A 100 VAL HA 1.0 0.0 5.22 661 569 A 27 ARG H A 27 ARG HD2 1.0 0.0 5.33 662 569 A 27 ARG H A 27 ARG HD3 1.0 0.0 5.33 663 570 A 98 GLN HA A 101 LYS HD2 1.0 0.0 5.13 664 570 A 101 LYS HD3 A 98 GLN HA 1.0 0.0 5.13 665 571 A 42 LEU HD2% A 84 ALA HA 1.0 0.0 4.67 666 572 A 109 ARG H A 109 ARG HG2 1.0 0.0 5.22 667 572 A 109 ARG H A 109 ARG HG3 1.0 0.0 5.22 668 573 A 57 LEU HD2% A 19 GLU HA 1.0 0.0 4.99 669 574 A 30 GLU H A 30 GLU HGx 1.0 0.0 5.40 670 575 A 81 LEU HD1% A 78 GLU HGy 1.0 0.0 5.29 671 576 A 78 GLU H A 78 GLU HGy 1.0 0.0 4.89 672 577 A 81 LEU HD1% A 78 GLU HGx 1.0 0.0 5.29 673 578 A 50 ILE HD1% A 25 PHE HD% 1.0 0.0 5.00 674 579 A 50 ILE HD1% A 25 PHE HE% 1.0 0.0 4.84 675 580 A 68 VAL HG2% A 71 TYR HD% 1.0 0.0 5.19 676 581 A 42 LEU HA A 96 VAL HG2% 1.0 0.0 5.29 677 582 A 96 VAL HG2% A 95 PHE HA 1.0 0.0 5.37 678 583 A 42 LEU H A 41 VAL HG2% 1.0 0.0 5.39 679 584 A 97 THR HB A 81 LEU HD1% 1.0 0.0 5.44 680 585 A 26 THR HG2% A 50 ILE HA 1.0 0.0 4.66 681 586 A 26 THR HG2% A 54 ARG HA 1.0 0.0 5.39 682 587 A 73 LEU HD1% A 76 ASN HBx 1.0 0.0 5.26 683 588 A 104 LEU H A 104 LEU HG 1.0 0.0 5.35 684 589 A 73 LEU HD2% A 56 CYS HBx 1.0 0.0 5.78 685 590 A 42 LEU HD2% A 84 ALA HB% 1.0 0.0 4.09 686 591 A 21 LYS HA A 21 LYS HD2 1.0 0.0 5.78 687 591 A 21 LYS HA A 21 LYS HD3 1.0 0.0 5.78 688 592 A 106 ILE HG2% A 21 LYS HD2 1.0 0.0 4.90 689 592 A 106 ILE HG2% A 21 LYS HD3 1.0 0.0 4.90 690 593 A 11 MET HGx A 11 MET HE% 1.0 0.0 4.46 691 594 A 11 MET HE% A 11 MET HGy 1.0 0.0 4.46 692 595 A 11 MET HE% A 11 MET HA 1.0 0.0 5.25 693 596 A 107 ILE H A 106 ILE HB 1.0 0.0 5.78 694 597 A 105 ILE HB A 102 LYS HA 1.0 0.0 5.45 695 598 A 29 TYR HD% A 30 GLU HA 1.0 0.0 4.26 696 599 A 44 PHE HD% A 44 PHE HA 1.0 0.0 3.86 697 600 A 44 PHE HD% A 48 GLN HGy 1.0 0.0 5.12 698 601 A 80 LEU HD2% A 44 PHE HD% 1.0 0.0 4.06 699 602 A 69 TYR HD% A 69 TYR HA 1.0 0.0 4.02 700 603 A 69 TYR HD% A 73 LEU HD2% 1.0 0.0 4.23 701 604 A 69 TYR HD% A 65 ILE HG2% 1.0 0.0 4.55 702 605 A 69 TYR HE% A 56 CYS HA 1.0 0.0 3.95 703 606 A 69 TYR HE% A 73 LEU HD2% 1.0 0.0 3.59 704 607 A 69 TYR HE% A 65 ILE HD1% 1.0 0.0 4.39 705 608 A 71 TYR H A 71 TYR HD% 1.0 0.0 3.98 706 609 A 71 TYR HD% A 71 TYR HA 1.0 0.0 3.44 707 610 A 95 PHE HD% A 95 PHE HA 1.0 0.0 3.73 708 611 A 68 VAL HA A 71 TYR HD% 1.0 0.0 3.57 709 612 A 67 THR HG2% A 71 TYR HE% 1.0 0.0 3.73 710 613 A 81 LEU HD2% A 85 TYR HE% 1.0 0.0 3.08 711 614 A 85 TYR HA A 85 TYR HD% 1.0 0.0 3.29 712 615 A 85 TYR HD% A 82 GLN HA 1.0 0.0 3.85 713 616 A 81 LEU HD2% A 85 TYR HD% 1.0 0.0 3.51 714 617 A 85 TYR HE% A 81 LEU HG 1.0 0.0 3.54 715 618 A 29 TYR H A 29 TYR HE% 1.0 0.0 4.08 716 619 A 28 ALA HB% A 29 TYR HE% 1.0 0.0 4.23 717 620 A 65 ILE HG2% A 70 PHE HZ 1.0 0.0 4.91 718 621 A 65 ILE HD1% A 70 PHE HE% 1.0 0.0 4.79 719 622 A 25 PHE HD% A 106 ILE HD1% 1.0 0.0 4.73 720 623 A 107 ILE HG2% A 70 PHE HE% 1.0 0.0 4.88 721 624 A 29 TYR HD% A 34 VAL HG2% 1.0 0.0 4.16 722 625 A 72 GLU H A 71 TYR HD% 1.0 0.0 4.16 723 626 A 107 ILE HD1% A 70 PHE HD% 1.0 0.0 4.16 724 627 A 49 ILE HG2% A 25 PHE HZ 1.0 0.0 5.78 725 628 A 107 ILE HG2% A 70 PHE HD% 1.0 0.0 5.78 726 629 A 34 VAL HG2% A 95 PHE HE% 1.0 0.0 4.50 727 630 A 37 LEU HD1% A 95 PHE HE% 1.0 0.0 4.68 728 631 A 70 PHE HD% A 70 PHE HA 1.0 0.0 3.91 729 632 A 85 TYR HD% A 93 VAL HB 1.0 0.0 4.97 730 633 A 85 TYR HD% A 82 GLN HG2 1.0 0.0 4.58 731 633 A 82 GLN HG3 A 85 TYR HD% 1.0 0.0 4.58 732 634 A 85 TYR H A 85 TYR HD% 1.0 0.0 4.16 733 635 A 95 PHE HD% A 96 VAL HG2% 1.0 0.0 3.91 734 636 A 93 VAL HG2% A 85 TYR HD% 1.0 0.0 4.27 735 637 A 37 LEU HD2% A 95 PHE HD% 1.0 0.0 4.20 736 638 A 67 THR HB A 71 TYR HE% 1.0 0.0 5.33 737 639 A 71 TYR HA A 71 TYR HE% 1.0 0.0 5.78 738 640 A 25 PHE HD% A 26 THR HB 1.0 0.0 4.28 739 641 A 81 LEU HD1% A 85 TYR HE% 1.0 0.0 3.39 740 642 A 29 TYR HD% A 34 VAL HG1% 1.0 0.0 4.59 741 643 A 46 HIS HE1 A 34 VAL HG2% 1.0 0.0 3.91 742 644 A 18 MET HE% A 70 PHE HZ 1.0 0.0 4.30 743 645 A 67 THR HG2% A 71 TYR HD% 1.0 0.0 4.47 744 646 A 29 TYR HD% A 50 ILE HG2% 1.0 0.0 5.05 745 647 A 49 ILE HG2% A 25 PHE HE% 1.0 0.0 4.45 746 648 A 68 VAL HG1% A 71 TYR HD% 1.0 0.0 4.78 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin 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 17 GLN HA A 20 GLU HGy 1.0 0.0 5.00 2 1 A 17 GLN HA A 20 GLU HGx 1.0 0.0 5.00 3 2 A 19 GLU H A 18 MET HGx 1.0 0.0 5.44 4 2 A 19 GLU H A 18 MET HGy 1.0 0.0 5.44 5 3 A 22 LEU H A 18 MET HGx 1.0 0.0 5.06 6 3 A 22 LEU H A 18 MET HGy 1.0 0.0 5.06 7 4 A 106 ILE HG2% A 18 MET HGx 1.0 0.0 4.43 8 4 A 106 ILE HG2% A 18 MET HGy 1.0 0.0 4.43 9 5 A 19 GLU H A 19 GLU HGy 1.0 0.0 5.09 10 5 A 19 GLU H A 19 GLU HGx 1.0 0.0 5.09 11 6 A 22 LEU HD2% A 19 GLU HGy 1.0 0.0 5.03 12 6 A 22 LEU HD2% A 19 GLU HGx 1.0 0.0 5.03 13 7 A 57 LEU HD1% A 19 GLU HGy 1.0 0.0 4.84 14 7 A 57 LEU HD1% A 19 GLU HGx 1.0 0.0 4.84 15 8 A 57 LEU HD2% A 19 GLU HGy 1.0 0.0 4.15 16 8 A 57 LEU HD2% A 19 GLU HGx 1.0 0.0 4.15 17 9 A 21 LYS HA A 24 ASP HBx 1.0 0.0 5.07 18 9 A 21 LYS HA A 24 ASP HBy 1.0 0.0 5.07 19 10 A 106 ILE HG2% A 21 LYS HBy 1.0 0.0 4.61 20 10 A 106 ILE HG2% A 21 LYS HBx 1.0 0.0 4.61 21 11 A 106 ILE HD1% A 21 LYS HBy 1.0 0.0 4.56 22 11 A 106 ILE HD1% A 21 LYS HBx 1.0 0.0 4.56 23 12 A 22 LEU HD2% A 54 ARG HGy 1.0 0.0 4.60 24 12 A 22 LEU HD2% A 54 ARG HGx 1.0 0.0 4.60 25 13 A 26 THR HG2% A 50 ILE HG1y 1.0 0.0 5.61 26 13 A 26 THR HG2% A 50 ILE HG1x 1.0 0.0 5.61 27 14 A 27 ARG H A 27 ARG HGx 1.0 0.0 4.50 28 14 A 27 ARG H A 27 ARG HGy 1.0 0.0 4.50 29 15 A 30 GLU H A 30 GLU HGy 1.0 0.0 4.56 30 15 A 30 GLU H A 30 GLU HGx 1.0 0.0 4.56 31 16 A 35 LEU HD1% A 36 PRO HDx 1.0 0.0 4.74 32 16 A 35 LEU HD1% A 36 PRO HDy 1.0 0.0 4.74 33 17 A 37 LEU HD1% A 42 LEU HBy 1.0 0.0 4.54 34 17 A 37 LEU HD1% A 42 LEU HBx 1.0 0.0 4.54 35 18 A 37 LEU HD1% A 46 HIS HBx 1.0 0.0 4.47 36 18 A 37 LEU HD1% A 46 HIS HBy 1.0 0.0 4.47 37 19 A 37 LEU HD1% A 92 GLU HBy 1.0 0.0 5.51 38 19 A 37 LEU HD1% A 92 GLU HBx 1.0 0.0 5.51 39 20 A 37 LEU HD2% A 92 GLU HBy 1.0 0.0 4.27 40 20 A 37 LEU HD2% A 92 GLU HBx 1.0 0.0 4.27 41 21 A 37 LEU HD2% A 92 GLU HGy 1.0 0.0 4.37 42 21 A 37 LEU HD2% A 92 GLU HGx 1.0 0.0 4.37 43 22 A 96 VAL HG2% A 42 LEU HBy 1.0 0.0 4.70 44 22 A 96 VAL HG2% A 42 LEU HBx 1.0 0.0 4.70 45 23 A 48 GLN HE2y A 44 PHE HD% 1.0 0.0 4.67 46 23 A 48 GLN HE2x A 44 PHE HD% 1.0 0.0 4.67 47 24 A 45 ILE H A 45 ILE HG1y 1.0 0.0 5.39 48 24 A 45 ILE H A 45 ILE HG1x 1.0 0.0 5.39 49 25 A 45 ILE HA A 48 GLN HGy 1.0 0.0 5.18 50 25 A 45 ILE HA A 48 GLN HGx 1.0 0.0 5.18 51 26 A 48 GLN HE2y A 45 ILE HA 1.0 0.0 5.22 52 26 A 48 GLN HE2x A 45 ILE HA 1.0 0.0 5.22 53 27 A 80 LEU HD2% A 45 ILE HG1y 1.0 0.0 5.61 54 27 A 80 LEU HD2% A 45 ILE HG1x 1.0 0.0 5.61 55 28 A 45 ILE HD1% A 83 ASP HBx 1.0 0.0 4.30 56 28 A 45 ILE HD1% A 83 ASP HBy 1.0 0.0 4.30 57 29 A 48 GLN HE2x A 48 GLN HB2 1.0 0.0 4.17 58 29 A 48 GLN HB3 A 48 GLN HE2x 1.0 0.0 4.17 59 29 A 48 GLN HE2y A 48 GLN HB2 1.0 0.0 4.17 60 29 A 48 GLN HB3 A 48 GLN HE2y 1.0 0.0 4.17 61 30 A 80 LEU HD2% A 48 GLN HGy 1.0 0.0 4.99 62 30 A 80 LEU HD2% A 48 GLN HGx 1.0 0.0 4.99 63 31 A 48 GLN HE2y A 52 LEU HD2% 1.0 0.0 4.86 64 31 A 48 GLN HE2x A 52 LEU HD2% 1.0 0.0 4.86 65 32 A 48 GLN HE2y A 80 LEU HD2% 1.0 0.0 4.88 66 32 A 48 GLN HE2x A 80 LEU HD2% 1.0 0.0 4.88 67 33 A 49 ILE H A 49 ILE HG1y 1.0 0.0 4.85 68 33 A 49 ILE H A 49 ILE HG1x 1.0 0.0 4.85 69 34 A 49 ILE HG2% A 99 LEU HBx 1.0 0.0 4.86 70 34 A 49 ILE HG2% A 99 LEU HBy 1.0 0.0 4.86 71 35 A 49 ILE HD1% A 99 LEU HBx 1.0 0.0 4.65 72 35 A 49 ILE HD1% A 99 LEU HBy 1.0 0.0 4.65 73 36 A 50 ILE H A 50 ILE HG1y 1.0 0.0 5.28 74 36 A 50 ILE H A 50 ILE HG1x 1.0 0.0 5.28 75 37 A 51 GLU H A 51 GLU HGy 1.0 0.0 4.27 76 37 A 51 GLU H A 51 GLU HGx 1.0 0.0 4.27 77 38 A 52 LEU HD1% A 76 ASN HBx 1.0 0.0 4.66 78 38 A 52 LEU HD1% A 76 ASN HBy 1.0 0.0 4.66 79 39 A 52 LEU HD1% A 76 ASN HD2y 1.0 0.0 4.90 80 39 A 52 LEU HD1% A 76 ASN HD2x 1.0 0.0 4.90 81 40 A 52 LEU HD2% A 76 ASN HBx 1.0 0.0 5.51 82 40 A 52 LEU HD2% A 76 ASN HBy 1.0 0.0 5.51 83 41 A 76 ASN HD2y A 52 LEU HD2% 1.0 0.0 4.70 84 41 A 76 ASN HD2x A 52 LEU HD2% 1.0 0.0 4.70 85 42 A 53 ALA HB% A 54 ARG HGy 1.0 0.0 4.82 86 42 A 53 ALA HB% A 54 ARG HGx 1.0 0.0 4.82 87 43 A 56 CYS H A 56 CYS HBx 1.0 0.0 3.86 88 43 A 56 CYS H A 56 CYS HBy 1.0 0.0 3.86 89 44 A 73 LEU HD1% A 56 CYS HBx 1.0 0.0 5.61 90 44 A 73 LEU HD1% A 56 CYS HBy 1.0 0.0 5.61 91 45 A 73 LEU HD2% A 56 CYS HBx 1.0 0.0 4.92 92 45 A 73 LEU HD2% A 56 CYS HBy 1.0 0.0 4.92 93 46 A 59 LYS H A 59 LYS HGx 1.0 0.0 4.82 94 46 A 59 LYS H A 59 LYS HGy 1.0 0.0 4.82 95 47 A 60 SER H A 59 LYS HBy 1.0 0.0 4.61 96 47 A 60 SER H A 59 LYS HBx 1.0 0.0 4.61 97 48 A 59 LYS HBx A 65 ILE HG1x 1.0 0.0 4.29 98 48 A 59 LYS HBy A 65 ILE HG1x 1.0 0.0 4.29 99 48 A 65 ILE HG1y A 59 LYS HBy 1.0 0.0 4.29 100 48 A 59 LYS HBx A 65 ILE HG1y 1.0 0.0 4.29 101 49 A 65 ILE HD1% A 59 LYS HBy 1.0 0.0 4.21 102 49 A 65 ILE HD1% A 59 LYS HBx 1.0 0.0 4.21 103 50 A 69 TYR HE% A 59 LYS HEx 1.0 0.0 4.60 104 50 A 69 TYR HE% A 59 LYS HEy 1.0 0.0 4.60 105 51 A 60 SER H A 65 ILE HG1x 1.0 0.0 5.61 106 51 A 60 SER H A 65 ILE HG1y 1.0 0.0 5.61 107 52 A 60 SER HA A 65 ILE HG1x 1.0 0.0 5.11 108 52 A 60 SER HA A 65 ILE HG1y 1.0 0.0 5.11 109 53 A 61 ARG H A 61 ARG HGx 1.0 0.0 4.78 110 53 A 61 ARG H A 61 ARG HGy 1.0 0.0 4.78 111 54 A 61 ARG HA A 61 ARG HDy 1.0 0.0 5.01 112 54 A 61 ARG HA A 61 ARG HDx 1.0 0.0 5.01 113 55 A 64 LEU HD1% A 62 ASP HBx 1.0 0.0 4.58 114 55 A 64 LEU HD1% A 62 ASP HBy 1.0 0.0 4.58 115 56 A 64 LEU HD2% A 62 ASP HBx 1.0 0.0 4.90 116 56 A 64 LEU HD2% A 62 ASP HBy 1.0 0.0 4.90 117 57 A 64 LEU H A 65 ILE HG1x 1.0 0.0 5.61 118 57 A 64 LEU H A 65 ILE HG1y 1.0 0.0 5.61 119 58 A 66 THR H A 65 ILE HG1x 1.0 0.0 5.61 120 58 A 66 THR H A 65 ILE HG1y 1.0 0.0 5.61 121 59 A 69 TYR HD% A 65 ILE HG1x 1.0 0.0 4.25 122 59 A 69 TYR HD% A 65 ILE HG1y 1.0 0.0 4.25 123 60 A 68 VAL HG1% A 72 GLU HGy 1.0 0.0 4.47 124 60 A 68 VAL HG1% A 72 GLU HGx 1.0 0.0 4.47 125 61 A 70 PHE HD% A 69 TYR HBx 1.0 0.0 4.25 126 61 A 70 PHE HD% A 69 TYR HBy 1.0 0.0 4.25 127 62 A 72 GLU H A 72 GLU HGy 1.0 0.0 4.34 128 62 A 72 GLU H A 72 GLU HGx 1.0 0.0 4.34 129 63 A 72 GLU HA A 72 GLU HGy 1.0 0.0 3.81 130 63 A 72 GLU HA A 72 GLU HGx 1.0 0.0 3.81 131 64 A 73 LEU H A 72 GLU HBx 1.0 0.0 4.61 132 64 A 73 LEU H A 72 GLU HBy 1.0 0.0 4.61 133 65 A 76 ASN HD2y A 73 LEU HA 1.0 0.0 4.95 134 65 A 73 LEU HA A 76 ASN HD2x 1.0 0.0 4.95 135 66 A 77 LEU HD1% A 73 LEU HBx 1.0 0.0 4.86 136 66 A 77 LEU HD1% A 73 LEU HBy 1.0 0.0 4.86 137 67 A 107 ILE HD1% A 73 LEU HBx 1.0 0.0 5.40 138 67 A 107 ILE HD1% A 73 LEU HBy 1.0 0.0 5.40 139 68 A 73 LEU HD1% A 76 ASN HBx 1.0 0.0 4.62 140 68 A 73 LEU HD1% A 76 ASN HBy 1.0 0.0 4.62 141 69 A 73 LEU HD1% A 76 ASN HD2y 1.0 0.0 4.56 142 69 A 73 LEU HD1% A 76 ASN HD2x 1.0 0.0 4.56 143 70 A 73 LEU HD1% A 77 LEU HBy 1.0 0.0 4.40 144 70 A 73 LEU HD1% A 77 LEU HBx 1.0 0.0 4.40 145 71 A 75 GLU H A 74 GLN HGy 1.0 0.0 5.21 146 71 A 75 GLU H A 74 GLN HGx 1.0 0.0 5.21 147 72 A 104 LEU HD2% A 74 GLN HGy 1.0 0.0 5.39 148 72 A 104 LEU HD2% A 74 GLN HGx 1.0 0.0 5.39 149 73 A 107 ILE HD1% A 74 GLN HGy 1.0 0.0 4.98 150 73 A 107 ILE HD1% A 74 GLN HGx 1.0 0.0 4.98 151 74 A 76 ASN H A 76 ASN HD2y 1.0 0.0 4.80 152 74 A 76 ASN H A 76 ASN HD2x 1.0 0.0 4.80 153 75 A 76 ASN HA A 79 LYS HBy 1.0 0.0 5.01 154 75 A 76 ASN HA A 79 LYS HBx 1.0 0.0 5.01 155 76 A 80 LEU HD1% A 76 ASN HBx 1.0 0.0 5.61 156 76 A 80 LEU HD1% A 76 ASN HBy 1.0 0.0 5.61 157 77 A 76 ASN HD2x A 77 LEU HBy 1.0 0.0 5.00 158 77 A 76 ASN HD2y A 77 LEU HBx 1.0 0.0 5.00 159 77 A 76 ASN HD2x A 77 LEU HBx 1.0 0.0 5.00 160 77 A 76 ASN HD2y A 77 LEU HBy 1.0 0.0 5.00 161 78 A 76 ASN HD2y A 77 LEU HD2% 1.0 0.0 5.61 162 78 A 76 ASN HD2x A 77 LEU HD2% 1.0 0.0 5.61 163 79 A 76 ASN HD2y A 80 LEU HD1% 1.0 0.0 5.61 164 79 A 76 ASN HD2x A 80 LEU HD1% 1.0 0.0 5.61 165 80 A 79 LYS H A 78 GLU HBx 1.0 0.0 4.50 166 80 A 79 LYS H A 78 GLU HBy 1.0 0.0 4.50 167 81 A 81 LEU HD1% A 78 GLU HGy 1.0 0.0 4.60 168 81 A 81 LEU HD1% A 78 GLU HGx 1.0 0.0 4.60 169 82 A 79 LYS H A 79 LYS HBy 1.0 0.0 3.83 170 82 A 79 LYS H A 79 LYS HBx 1.0 0.0 3.83 171 83 A 79 LYS H A 79 LYS HGx 1.0 0.0 5.32 172 83 A 79 LYS H A 79 LYS HGy 1.0 0.0 5.32 173 84 A 79 LYS HBy A 79 LYS HE2 1.0 0.0 4.73 174 84 A 79 LYS HBx A 79 LYS HE2 1.0 0.0 4.73 175 84 A 79 LYS HE3 A 79 LYS HBy 1.0 0.0 4.73 176 84 A 79 LYS HE3 A 79 LYS HBx 1.0 0.0 4.73 177 85 A 80 LEU H A 79 LYS HBy 1.0 0.0 4.27 178 85 A 80 LEU H A 79 LYS HBx 1.0 0.0 4.27 179 86 A 80 LEU H A 79 LYS HGx 1.0 0.0 4.90 180 86 A 80 LEU H A 79 LYS HGy 1.0 0.0 4.90 181 87 A 80 LEU HD2% A 79 LYS HGx 1.0 0.0 5.01 182 87 A 80 LEU HD2% A 79 LYS HGy 1.0 0.0 5.01 183 88 A 80 LEU HD2% A 80 LEU HBx 1.0 0.0 3.55 184 88 A 80 LEU HD2% A 80 LEU HBy 1.0 0.0 3.55 185 89 A 81 LEU H A 100 VAL HGy% 1.0 0.0 5.29 186 89 A 81 LEU H A 100 VAL HGx% 1.0 0.0 5.29 187 90 A 81 LEU HA A 100 VAL HGy% 1.0 0.0 5.52 188 90 A 81 LEU HA A 100 VAL HGx% 1.0 0.0 5.52 189 91 A 82 GLN H A 81 LEU HBy 1.0 0.0 4.41 190 91 A 82 GLN H A 81 LEU HBx 1.0 0.0 4.41 191 92 A 81 LEU HBx A 100 VAL HGy% 1.0 0.0 3.71 192 92 A 81 LEU HBy A 100 VAL HGy% 1.0 0.0 3.71 193 92 A 100 VAL HGx% A 81 LEU HBy 1.0 0.0 3.71 194 92 A 100 VAL HGx% A 81 LEU HBx 1.0 0.0 3.71 195 93 A 82 GLN HA A 85 TYR HBy 1.0 0.0 4.63 196 93 A 82 GLN HA A 85 TYR HBx 1.0 0.0 4.63 197 94 A 85 TYR HD% A 82 GLN HE2y 1.0 0.0 5.22 198 94 A 85 TYR HD% A 82 GLN HE2x 1.0 0.0 5.22 199 95 A 85 TYR HE% A 82 GLN HE2y 1.0 0.0 4.76 200 95 A 85 TYR HE% A 82 GLN HE2x 1.0 0.0 4.76 201 96 A 86 GLU H A 86 GLU HGy 1.0 0.0 4.29 202 96 A 86 GLU H A 86 GLU HGx 1.0 0.0 4.29 203 97 A 91 LEU HD2% A 91 LEU HBy 1.0 0.0 3.41 204 97 A 91 LEU HD2% A 91 LEU HBx 1.0 0.0 3.41 205 98 A 96 VAL HG2% A 92 GLU HBy 1.0 0.0 4.99 206 98 A 96 VAL HG2% A 92 GLU HBx 1.0 0.0 4.99 207 99 A 98 GLN H A 98 GLN HGy 1.0 0.0 4.59 208 99 A 98 GLN H A 98 GLN HGx 1.0 0.0 4.59 209 100 A 99 LEU H A 100 VAL HGy% 1.0 0.0 5.71 210 100 A 99 LEU H A 100 VAL HGx% 1.0 0.0 5.71 211 101 A 100 VAL H A 100 VAL HGy% 1.0 0.0 4.29 212 101 A 100 VAL H A 100 VAL HGx% 1.0 0.0 4.29 213 102 A 101 LYS H A 100 VAL HGy% 1.0 0.0 4.44 214 102 A 101 LYS H A 100 VAL HGx% 1.0 0.0 4.44 215 103 A 101 LYS HA A 100 VAL HGy% 1.0 0.0 4.53 216 103 A 101 LYS HA A 100 VAL HGx% 1.0 0.0 4.53 217 104 A 100 VAL HGx% A 101 LYS HD2 1.0 0.0 5.71 218 104 A 100 VAL HGy% A 101 LYS HD2 1.0 0.0 5.71 219 104 A 101 LYS HD3 A 100 VAL HGy% 1.0 0.0 5.71 220 104 A 101 LYS HD3 A 100 VAL HGx% 1.0 0.0 5.71 221 105 A 100 VAL HGy% A 101 LYS HE2 1.0 0.0 4.11 222 105 A 100 VAL HGx% A 101 LYS HE2 1.0 0.0 4.11 223 105 A 101 LYS HE3 A 100 VAL HGy% 1.0 0.0 4.11 224 105 A 101 LYS HE3 A 100 VAL HGx% 1.0 0.0 4.11 225 106 A 101 LYS H A 101 LYS HGy 1.0 0.0 5.13 226 106 A 101 LYS H A 101 LYS HGx 1.0 0.0 5.13 227 107 A 101 LYS HA A 104 LEU HBy 1.0 0.0 4.83 228 107 A 101 LYS HA A 104 LEU HBx 1.0 0.0 4.83 229 108 A 102 LYS H A 102 LYS HGy 1.0 0.0 4.54 230 108 A 102 LYS H A 102 LYS HGx 1.0 0.0 4.54 231 109 A 102 LYS H A 102 LYS HDy 1.0 0.0 5.61 232 109 A 102 LYS H A 102 LYS HDx 1.0 0.0 5.61 233 110 A 102 LYS HA A 102 LYS HDy 1.0 0.0 5.08 234 110 A 102 LYS HA A 102 LYS HDx 1.0 0.0 5.08 235 111 A 102 LYS HBx A 102 LYS HE2 1.0 0.0 5.06 236 111 A 102 LYS HBy A 102 LYS HE2 1.0 0.0 5.06 237 111 A 102 LYS HE3 A 102 LYS HBx 1.0 0.0 5.06 238 111 A 102 LYS HE3 A 102 LYS HBy 1.0 0.0 5.06 239 112 A 104 LEU H A 103 LEU HBy 1.0 0.0 4.63 240 112 A 104 LEU H A 103 LEU HBx 1.0 0.0 4.63 241 113 A 104 LEU H A 107 ILE HG1x 1.0 0.0 4.86 242 113 A 104 LEU H A 107 ILE HG1y 1.0 0.0 4.86 243 114 A 104 LEU HA A 107 ILE HG1x 1.0 0.0 4.86 244 114 A 104 LEU HA A 107 ILE HG1y 1.0 0.0 4.86 245 115 A 104 LEU HBy A 107 ILE HG1x 1.0 0.0 5.00 246 115 A 107 ILE HG1y A 104 LEU HBy 1.0 0.0 5.00 247 115 A 104 LEU HBx A 107 ILE HG1y 1.0 0.0 5.00 248 115 A 104 LEU HBx A 107 ILE HG1x 1.0 0.0 5.00 249 116 A 104 LEU HD1% A 107 ILE HG1x 1.0 0.0 4.30 250 116 A 104 LEU HD1% A 107 ILE HG1y 1.0 0.0 4.30 251 117 A 105 ILE H A 105 ILE HG1x 1.0 0.0 4.51 252 117 A 105 ILE H A 105 ILE HG1y 1.0 0.0 4.51 253 118 A 105 ILE HG2% A 105 ILE HG1x 1.0 0.0 3.57 254 118 A 105 ILE HG2% A 105 ILE HG1y 1.0 0.0 3.57 255 119 A 109 ARG H A 110 PRO HDy 1.0 0.0 5.07 256 119 A 109 ARG H A 110 PRO HDx 1.0 0.0 5.07 257 120 A 111 ALA HB% A 110 PRO HBy 1.0 0.0 4.79 258 120 A 111 ALA HB% A 110 PRO HBx 1.0 0.0 4.79 259 121 A 111 ALA HB% A 112 ARG HBx 1.0 0.0 5.07 260 121 A 111 ALA HB% A 112 ARG HBy 1.0 0.0 5.07 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 19 GLU H A 15 THR O 1.0 0.0 2.10 2 2 A 15 THR O A 19 GLU N 1.0 0.0 3.15 3 3 A 20 GLU H A 16 ALA O 1.0 0.0 2.10 4 4 A 16 ALA O A 20 GLU N 1.0 0.0 3.15 5 5 A 21 LYS H A 17 GLN O 1.0 0.0 2.10 6 6 A 17 GLN O A 21 LYS N 1.0 0.0 3.15 7 7 A 22 LEU H A 18 MET O 1.0 0.0 2.10 8 8 A 18 MET O A 22 LEU N 1.0 0.0 3.15 9 9 A 23 ARG H A 19 GLU O 1.0 0.0 2.10 10 10 A 19 GLU O A 23 ARG N 1.0 0.0 3.15 11 11 A 24 ASP H A 20 GLU O 1.0 0.0 2.10 12 12 A 20 GLU O A 24 ASP N 1.0 0.0 3.15 13 13 A 21 LYS O A 25 PHE H 1.0 0.0 2.10 14 14 A 21 LYS O A 25 PHE N 1.0 0.0 3.15 15 15 A 26 THR H A 22 LEU O 1.0 0.0 2.10 16 16 A 22 LEU O A 26 THR N 1.0 0.0 3.15 17 17 A 27 ARG H A 23 ARG O 1.0 0.0 2.10 18 18 A 23 ARG O A 27 ARG N 1.0 0.0 3.15 19 19 A 45 ILE H A 41 VAL O 1.0 0.0 2.10 20 20 A 41 VAL O A 45 ILE N 1.0 0.0 3.15 21 21 A 46 HIS H A 42 LEU O 1.0 0.0 2.10 22 22 A 42 LEU O A 46 HIS N 1.0 0.0 3.15 23 23 A 47 HIS H A 43 SER O 1.0 0.0 2.10 24 24 A 43 SER O A 47 HIS N 1.0 0.0 3.15 25 25 A 48 GLN H A 44 PHE O 1.0 0.0 2.10 26 26 A 44 PHE O A 48 GLN N 1.0 0.0 3.15 27 27 A 49 ILE H A 45 ILE O 1.0 0.0 2.10 28 28 A 45 ILE O A 49 ILE N 1.0 0.0 3.15 29 29 A 50 ILE H A 46 HIS O 1.0 0.0 2.10 30 30 A 46 HIS O A 50 ILE N 1.0 0.0 3.15 31 31 A 51 GLU H A 47 HIS O 1.0 0.0 2.10 32 32 A 47 HIS O A 51 GLU N 1.0 0.0 3.15 33 33 A 52 LEU H A 48 GLN O 1.0 0.0 2.10 34 34 A 48 GLN O A 52 LEU N 1.0 0.0 3.15 35 35 A 53 ALA H A 49 ILE O 1.0 0.0 2.10 36 36 A 49 ILE O A 53 ALA N 1.0 0.0 3.15 37 37 A 54 ARG H A 50 ILE O 1.0 0.0 2.10 38 38 A 50 ILE O A 54 ARG N 1.0 0.0 3.15 39 39 A 55 ASP H A 51 GLU O 1.0 0.0 2.10 40 40 A 51 GLU O A 55 ASP N 1.0 0.0 3.15 41 41 A 56 CYS H A 52 LEU O 1.0 0.0 2.10 42 42 A 52 LEU O A 56 CYS N 1.0 0.0 3.15 43 43 A 57 LEU H A 53 ALA O 1.0 0.0 2.10 44 44 A 53 ALA O A 57 LEU N 1.0 0.0 3.15 45 45 A 58 THR H A 54 ARG O 1.0 0.0 2.10 46 46 A 54 ARG O A 58 THR N 1.0 0.0 3.15 47 47 A 59 LYS H A 55 ASP O 1.0 0.0 2.10 48 48 A 55 ASP O A 59 LYS N 1.0 0.0 3.15 49 49 A 60 SER H A 56 CYS O 1.0 0.0 2.10 50 50 A 56 CYS O A 60 SER N 1.0 0.0 3.15 51 51 A 72 GLU H A 68 VAL O 1.0 0.0 2.10 52 52 A 68 VAL O A 72 GLU N 1.0 0.0 3.15 53 53 A 73 LEU H A 69 TYR O 1.0 0.0 2.10 54 54 A 69 TYR O A 73 LEU N 1.0 0.0 3.15 55 55 A 74 GLN H A 70 PHE O 1.0 0.0 2.10 56 56 A 70 PHE O A 74 GLN N 1.0 0.0 3.15 57 57 A 75 GLU H A 71 TYR O 1.0 0.0 2.10 58 58 A 71 TYR O A 75 GLU N 1.0 0.0 3.15 59 59 A 76 ASN H A 72 GLU O 1.0 0.0 2.10 60 60 A 72 GLU O A 76 ASN N 1.0 0.0 3.15 61 61 A 77 LEU H A 73 LEU O 1.0 0.0 2.10 62 62 A 73 LEU O A 77 LEU N 1.0 0.0 3.15 63 63 A 78 GLU H A 74 GLN O 1.0 0.0 2.10 64 64 A 74 GLN O A 78 GLU N 1.0 0.0 3.15 65 65 A 79 LYS H A 75 GLU O 1.0 0.0 2.10 66 66 A 75 GLU O A 79 LYS N 1.0 0.0 3.15 67 67 A 80 LEU H A 76 ASN O 1.0 0.0 2.10 68 68 A 76 ASN O A 80 LEU N 1.0 0.0 3.15 69 69 A 81 LEU H A 77 LEU O 1.0 0.0 2.10 70 70 A 77 LEU O A 81 LEU N 1.0 0.0 3.15 71 71 A 82 GLN H A 78 GLU O 1.0 0.0 2.10 72 72 A 78 GLU O A 82 GLN N 1.0 0.0 3.15 73 73 A 83 ASP H A 79 LYS O 1.0 0.0 2.10 74 74 A 79 LYS O A 83 ASP N 1.0 0.0 3.15 75 75 A 84 ALA H A 80 LEU O 1.0 0.0 2.10 76 76 A 80 LEU O A 84 ALA N 1.0 0.0 3.15 77 77 A 85 TYR H A 81 LEU O 1.0 0.0 2.10 78 78 A 81 LEU O A 85 TYR N 1.0 0.0 3.15 79 79 A 98 GLN H A 94 ALA O 1.0 0.0 2.10 80 80 A 94 ALA O A 98 GLN N 1.0 0.0 3.15 81 81 A 99 LEU H A 95 PHE O 1.0 0.0 2.10 82 82 A 95 PHE O A 99 LEU N 1.0 0.0 3.15 83 83 A 100 VAL H A 96 VAL O 1.0 0.0 2.10 84 84 A 96 VAL O A 100 VAL N 1.0 0.0 3.15 85 85 A 101 LYS H A 97 THR O 1.0 0.0 2.10 86 86 A 97 THR O A 101 LYS N 1.0 0.0 3.15 87 87 A 102 LYS H A 98 GLN O 1.0 0.0 2.10 88 88 A 98 GLN O A 102 LYS N 1.0 0.0 3.15 89 89 A 103 LEU H A 99 LEU O 1.0 0.0 2.10 90 90 A 99 LEU O A 103 LEU N 1.0 0.0 3.15 91 91 A 104 LEU H A 100 VAL O 1.0 0.0 2.10 92 92 A 100 VAL O A 104 LEU N 1.0 0.0 3.15 93 93 A 105 ILE H A 101 LYS O 1.0 0.0 2.10 94 94 A 101 LYS O A 105 ILE N 1.0 0.0 3.15 95 95 A 106 ILE H A 102 LYS O 1.0 0.0 2.10 96 96 A 102 LYS O A 106 ILE N 1.0 0.0 3.15 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 19 GLU H A 15 THR O 1.0 1.81 1.99 2 2 A 15 THR O A 19 GLU N 1.0 2.71 2.99 3 3 A 20 GLU H A 16 ALA O 1.0 1.81 1.99 4 4 A 16 ALA O A 20 GLU N 1.0 2.71 2.99 5 5 A 21 LYS H A 17 GLN O 1.0 1.81 1.99 6 6 A 17 GLN O A 21 LYS N 1.0 2.71 2.99 7 7 A 22 LEU H A 18 MET O 1.0 1.81 1.99 8 8 A 18 MET O A 22 LEU N 1.0 2.71 2.99 9 9 A 23 ARG H A 19 GLU O 1.0 1.81 1.99 10 10 A 19 GLU O A 23 ARG N 1.0 2.71 2.99 11 11 A 24 ASP H A 20 GLU O 1.0 1.81 1.99 12 12 A 20 GLU O A 24 ASP N 1.0 2.71 2.99 13 13 A 21 LYS O A 25 PHE H 1.0 1.81 1.99 14 14 A 21 LYS O A 25 PHE N 1.0 2.71 2.99 15 15 A 26 THR H A 22 LEU O 1.0 1.81 1.99 16 16 A 22 LEU O A 26 THR N 1.0 2.71 2.99 17 17 A 27 ARG H A 23 ARG O 1.0 1.81 1.99 18 18 A 23 ARG O A 27 ARG N 1.0 2.71 2.99 19 19 A 45 ILE H A 41 VAL O 1.0 1.81 1.99 20 20 A 41 VAL O A 45 ILE N 1.0 2.71 2.99 21 21 A 46 HIS H A 42 LEU O 1.0 1.81 1.99 22 22 A 42 LEU O A 46 HIS N 1.0 2.71 2.99 23 23 A 47 HIS H A 43 SER O 1.0 1.81 1.99 24 24 A 43 SER O A 47 HIS N 1.0 2.71 2.99 25 25 A 48 GLN H A 44 PHE O 1.0 1.81 1.99 26 26 A 44 PHE O A 48 GLN N 1.0 2.71 2.99 27 27 A 49 ILE H A 45 ILE O 1.0 1.81 1.99 28 28 A 45 ILE O A 49 ILE N 1.0 2.71 2.99 29 29 A 50 ILE H A 46 HIS O 1.0 1.81 1.99 30 30 A 46 HIS O A 50 ILE N 1.0 2.71 2.99 31 31 A 51 GLU H A 47 HIS O 1.0 1.81 1.99 32 32 A 47 HIS O A 51 GLU N 1.0 2.71 2.99 33 33 A 52 LEU H A 48 GLN O 1.0 1.81 1.99 34 34 A 48 GLN O A 52 LEU N 1.0 2.71 2.99 35 35 A 53 ALA H A 49 ILE O 1.0 1.81 1.99 36 36 A 49 ILE O A 53 ALA N 1.0 2.71 2.99 37 37 A 54 ARG H A 50 ILE O 1.0 1.81 1.99 38 38 A 50 ILE O A 54 ARG N 1.0 2.71 2.99 39 39 A 55 ASP H A 51 GLU O 1.0 1.81 1.99 40 40 A 51 GLU O A 55 ASP N 1.0 2.71 2.99 41 41 A 56 CYS H A 52 LEU O 1.0 1.81 1.99 42 42 A 52 LEU O A 56 CYS N 1.0 2.71 2.99 43 43 A 57 LEU H A 53 ALA O 1.0 1.81 1.99 44 44 A 53 ALA O A 57 LEU N 1.0 2.71 2.99 45 45 A 58 THR H A 54 ARG O 1.0 1.81 1.99 46 46 A 54 ARG O A 58 THR N 1.0 2.71 2.99 47 47 A 59 LYS H A 55 ASP O 1.0 1.81 1.99 48 48 A 55 ASP O A 59 LYS N 1.0 2.71 2.99 49 49 A 60 SER H A 56 CYS O 1.0 1.81 1.99 50 50 A 56 CYS O A 60 SER N 1.0 2.71 2.99 51 51 A 72 GLU H A 68 VAL O 1.0 1.81 1.99 52 52 A 68 VAL O A 72 GLU N 1.0 2.71 2.99 53 53 A 73 LEU H A 69 TYR O 1.0 1.81 1.99 54 54 A 69 TYR O A 73 LEU N 1.0 2.71 2.99 55 55 A 74 GLN H A 70 PHE O 1.0 1.81 1.99 56 56 A 70 PHE O A 74 GLN N 1.0 2.71 2.99 57 57 A 75 GLU H A 71 TYR O 1.0 1.81 1.99 58 58 A 71 TYR O A 75 GLU N 1.0 2.71 2.99 59 59 A 76 ASN H A 72 GLU O 1.0 1.81 1.99 60 60 A 72 GLU O A 76 ASN N 1.0 2.71 2.99 61 61 A 77 LEU H A 73 LEU O 1.0 1.81 1.99 62 62 A 73 LEU O A 77 LEU N 1.0 2.71 2.99 63 63 A 78 GLU H A 74 GLN O 1.0 1.81 1.99 64 64 A 74 GLN O A 78 GLU N 1.0 2.71 2.99 65 65 A 79 LYS H A 75 GLU O 1.0 1.81 1.99 66 66 A 75 GLU O A 79 LYS N 1.0 2.71 2.99 67 67 A 80 LEU H A 76 ASN O 1.0 1.81 1.99 68 68 A 76 ASN O A 80 LEU N 1.0 2.71 2.99 69 69 A 81 LEU H A 77 LEU O 1.0 1.81 1.99 70 70 A 77 LEU O A 81 LEU N 1.0 2.71 2.99 71 71 A 82 GLN H A 78 GLU O 1.0 1.81 1.99 72 72 A 78 GLU O A 82 GLN N 1.0 2.71 2.99 73 73 A 83 ASP H A 79 LYS O 1.0 1.81 1.99 74 74 A 79 LYS O A 83 ASP N 1.0 2.71 2.99 75 75 A 84 ALA H A 80 LEU O 1.0 1.81 1.99 76 76 A 80 LEU O A 84 ALA N 1.0 2.71 2.99 77 77 A 85 TYR H A 81 LEU O 1.0 1.81 1.99 78 78 A 81 LEU O A 85 TYR N 1.0 2.71 2.99 79 79 A 98 GLN H A 94 ALA O 1.0 1.81 1.99 80 80 A 94 ALA O A 98 GLN N 1.0 2.71 2.99 81 81 A 99 LEU H A 95 PHE O 1.0 1.81 1.99 82 82 A 95 PHE O A 99 LEU N 1.0 2.71 2.99 83 83 A 100 VAL H A 96 VAL O 1.0 1.81 1.99 84 84 A 96 VAL O A 100 VAL N 1.0 2.71 2.99 85 85 A 101 LYS H A 97 THR O 1.0 1.81 1.99 86 86 A 97 THR O A 101 LYS N 1.0 2.71 2.99 87 87 A 102 LYS H A 98 GLN O 1.0 1.81 1.99 88 88 A 98 GLN O A 102 LYS N 1.0 2.71 2.99 89 89 A 103 LEU H A 99 LEU O 1.0 1.81 1.99 90 90 A 99 LEU O A 103 LEU N 1.0 2.71 2.99 91 91 A 104 LEU H A 100 VAL O 1.0 1.81 1.99 92 92 A 100 VAL O A 104 LEU N 1.0 2.71 2.99 93 93 A 105 ILE H A 101 LYS O 1.0 1.81 1.99 94 94 A 101 LYS O A 105 ILE N 1.0 2.71 2.99 95 95 A 106 ILE H A 102 LYS O 1.0 1.81 1.99 96 96 A 102 LYS O A 106 ILE N 1.0 2.71 2.99 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 14 ALA C A 15 THR N A 15 THR CA A 15 THR C 1.0 -86.0 -46.0 PHI 2 2 A 15 THR N A 15 THR CA A 15 THR C A 16 ALA N 1.0 -63.8 -23.8 PSI 3 3 A 15 THR C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -80.8 -40.8 PHI 4 4 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 GLN N 1.0 -61.7 -21.7 PSI 5 5 A 16 ALA C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -88.9 -48.9 PHI 6 6 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 MET N 1.0 -56.5 -16.5 PSI 7 7 A 17 GLN C A 18 MET N A 18 MET CA A 18 MET C 1.0 -83.6 -43.6 PHI 8 8 A 18 MET N A 18 MET CA A 18 MET C A 19 GLU N 1.0 -63.1 -23.1 PSI 9 9 A 18 MET C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -80.3 -40.3 PHI 10 10 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 GLU N 1.0 -61.8 -21.8 PSI 11 11 A 19 GLU C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -83.1 -43.1 PHI 12 12 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 LYS N 1.0 -64.9 -24.9 PSI 13 13 A 20 GLU C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -85.4 -45.4 PHI 14 14 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 LEU N 1.0 -60.7 -20.7 PSI 15 15 A 21 LYS C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -85.6 -45.6 PHI 16 16 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 ARG N 1.0 -61.0 -21.0 PSI 17 17 A 22 LEU C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -86.2 -46.2 PHI 18 18 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 ASP N 1.0 -62.1 -22.1 PSI 19 19 A 23 ARG C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -85.8 -45.8 PHI 20 20 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 PHE N 1.0 -59.5 -19.5 PSI 21 21 A 24 ASP C A 25 PHE N A 25 PHE CA A 25 PHE C 1.0 -82.2 -42.2 PHI 22 22 A 25 PHE N A 25 PHE CA A 25 PHE C A 26 THR N 1.0 -65.4 -25.4 PSI 23 23 A 25 PHE C A 26 THR N A 26 THR CA A 26 THR C 1.0 -81.6 -41.6 PHI 24 24 A 26 THR N A 26 THR CA A 26 THR C A 27 ARG N 1.0 -57.9 -17.9 PSI 25 25 A 26 THR C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -83.9 -43.9 PHI 26 26 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 ALA N 1.0 -60.2 -20.2 PSI 27 27 A 40 GLY C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -88.7 -45.3 PHI 28 28 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 LEU N 1.0 -60.6 -20.6 PSI 29 29 A 41 VAL C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -82.4 -42.4 PHI 30 30 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 SER N 1.0 -63.9 -23.9 PSI 31 31 A 42 LEU C A 43 SER N A 43 SER CA A 43 SER C 1.0 -84.3 -44.3 PHI 32 32 A 43 SER N A 43 SER CA A 43 SER C A 44 PHE N 1.0 -58.7 -18.7 PSI 33 33 A 43 SER C A 44 PHE N A 44 PHE CA A 44 PHE C 1.0 -86.9 -46.9 PHI 34 34 A 44 PHE N A 44 PHE CA A 44 PHE C A 45 ILE N 1.0 -60.8 -20.8 PSI 35 35 A 44 PHE C A 45 ILE N A 45 ILE CA A 45 ILE C 1.0 -85.9 -45.9 PHI 36 36 A 45 ILE N A 45 ILE CA A 45 ILE C A 46 HIS N 1.0 -59.6 -19.6 PSI 37 37 A 45 ILE C A 46 HIS N A 46 HIS CA A 46 HIS C 1.0 -81.8 -41.8 PHI 38 38 A 46 HIS N A 46 HIS CA A 46 HIS C A 47 HIS N 1.0 -62.7 -22.7 PSI 39 39 A 46 HIS C A 47 HIS N A 47 HIS CA A 47 HIS C 1.0 -82.5 -42.5 PHI 40 40 A 47 HIS N A 47 HIS CA A 47 HIS C A 48 GLN N 1.0 -64.7 -24.7 PSI 41 41 A 47 HIS C A 48 GLN N A 48 GLN CA A 48 GLN C 1.0 -84.3 -44.3 PHI 42 42 A 48 GLN N A 48 GLN CA A 48 GLN C A 49 ILE N 1.0 -63.7 -23.7 PSI 43 43 A 48 GLN C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -82.1 -42.1 PHI 44 44 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 ILE N 1.0 -63.9 -23.9 PSI 45 45 A 49 ILE C A 50 ILE N A 50 ILE CA A 50 ILE C 1.0 -85.8 -45.8 PHI 46 46 A 50 ILE N A 50 ILE CA A 50 ILE C A 51 GLU N 1.0 -55.2 -15.2 PSI 47 47 A 50 ILE C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -85.4 -45.4 PHI 48 48 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 LEU N 1.0 -60.6 -20.6 PSI 49 49 A 51 GLU C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -88.1 -48.1 PHI 50 50 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 ALA N 1.0 -58.9 -18.9 PSI 51 51 A 52 LEU C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -84.2 -44.2 PHI 52 52 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 ARG N 1.0 -57.7 -17.7 PSI 53 53 A 53 ALA C A 54 ARG N A 54 ARG CA A 54 ARG C 1.0 -86.6 -46.6 PHI 54 54 A 54 ARG N A 54 ARG CA A 54 ARG C A 55 ASP N 1.0 -58.2 -18.2 PSI 55 55 A 54 ARG C A 55 ASP N A 55 ASP CA A 55 ASP C 1.0 -81.9 -41.9 PHI 56 56 A 55 ASP N A 55 ASP CA A 55 ASP C A 56 CYS N 1.0 -63.4 -23.4 PSI 57 57 A 55 ASP C A 56 CYS N A 56 CYS CA A 56 CYS C 1.0 -82.3 -42.3 PHI 58 58 A 56 CYS N A 56 CYS CA A 56 CYS C A 57 LEU N 1.0 -63.3 -23.3 PSI 59 59 A 56 CYS C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -82.9 -42.9 PHI 60 60 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 THR N 1.0 -59.5 -19.5 PSI 61 61 A 57 LEU C A 58 THR N A 58 THR CA A 58 THR C 1.0 -85.8 -45.8 PHI 62 62 A 58 THR N A 58 THR CA A 58 THR C A 59 LYS N 1.0 -62.0 -22.0 PSI 63 63 A 58 THR C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -80.0 -40.0 PHI 64 64 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 SER N 1.0 -65.0 -25.0 PSI 65 65 A 59 LYS C A 60 SER N A 60 SER CA A 60 SER C 1.0 -81.8 -41.8 PHI 66 66 A 60 SER N A 60 SER CA A 60 SER C A 61 ARG N 1.0 -61.7 -21.7 PSI 67 67 A 67 THR C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -84.3 -44.3 PHI 68 68 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 TYR N 1.0 -60.2 -20.2 PSI 69 69 A 68 VAL C A 69 TYR N A 69 TYR CA A 69 TYR C 1.0 -85.4 -45.4 PHI 70 70 A 69 TYR N A 69 TYR CA A 69 TYR C A 70 PHE N 1.0 -63.4 -23.4 PSI 71 71 A 69 TYR C A 70 PHE N A 70 PHE CA A 70 PHE C 1.0 -83.3 -43.3 PHI 72 72 A 70 PHE N A 70 PHE CA A 70 PHE C A 71 TYR N 1.0 -57.2 -17.2 PSI 73 73 A 70 PHE C A 71 TYR N A 71 TYR CA A 71 TYR C 1.0 -84.9 -44.9 PHI 74 74 A 71 TYR N A 71 TYR CA A 71 TYR C A 72 GLU N 1.0 -61.4 -21.4 PSI 75 75 A 71 TYR C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -88.6 -48.6 PHI 76 76 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 LEU N 1.0 -59.5 -19.5 PSI 77 77 A 72 GLU C A 73 LEU N A 73 LEU CA A 73 LEU C 1.0 -84.4 -44.4 PHI 78 78 A 73 LEU N A 73 LEU CA A 73 LEU C A 74 GLN N 1.0 -63.4 -23.4 PSI 79 79 A 73 LEU C A 74 GLN N A 74 GLN CA A 74 GLN C 1.0 -80.8 -40.8 PHI 80 80 A 74 GLN N A 74 GLN CA A 74 GLN C A 75 GLU N 1.0 -59.7 -19.7 PSI 81 81 A 74 GLN C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -83.0 -43.0 PHI 82 82 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 ASN N 1.0 -61.6 -21.6 PSI 83 83 A 75 GLU C A 76 ASN N A 76 ASN CA A 76 ASN C 1.0 -87.5 -47.5 PHI 84 84 A 76 ASN N A 76 ASN CA A 76 ASN C A 77 LEU N 1.0 -59.0 -19.0 PSI 85 85 A 76 ASN C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -84.3 -44.3 PHI 86 86 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 GLU N 1.0 -62.1 -22.1 PSI 87 87 A 77 LEU C A 78 GLU N A 78 GLU CA A 78 GLU C 1.0 -82.1 -42.1 PHI 88 88 A 78 GLU N A 78 GLU CA A 78 GLU C A 79 LYS N 1.0 -58.6 -18.6 PSI 89 89 A 78 GLU C A 79 LYS N A 79 LYS CA A 79 LYS C 1.0 -86.3 -46.3 PHI 90 90 A 79 LYS N A 79 LYS CA A 79 LYS C A 80 LEU N 1.0 -61.8 -21.8 PSI 91 91 A 79 LYS C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -85.2 -45.2 PHI 92 92 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 LEU N 1.0 -57.5 -17.5 PSI 93 93 A 80 LEU C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -85.6 -45.6 PHI 94 94 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 GLN N 1.0 -62.5 -22.5 PSI 95 95 A 81 LEU C A 82 GLN N A 82 GLN CA A 82 GLN C 1.0 -82.2 -42.2 PHI 96 96 A 82 GLN N A 82 GLN CA A 82 GLN C A 83 ASP N 1.0 -59.9 -19.9 PSI 97 97 A 82 GLN C A 83 ASP N A 83 ASP CA A 83 ASP C 1.0 -83.0 -43.0 PHI 98 98 A 83 ASP N A 83 ASP CA A 83 ASP C A 84 ALA N 1.0 -61.8 -21.8 PSI 99 99 A 83 ASP C A 84 ALA N A 84 ALA CA A 84 ALA C 1.0 -84.4 -44.4 PHI 100 100 A 84 ALA N A 84 ALA CA A 84 ALA C A 85 TYR N 1.0 -61.1 -21.1 PSI 101 101 A 84 ALA C A 85 TYR N A 85 TYR CA A 85 TYR C 1.0 -90.2 -50.2 PHI 102 102 A 85 TYR N A 85 TYR CA A 85 TYR C A 86 GLU N 1.0 -52.3 -12.3 PSI 103 103 A 92 GLU C A 93 VAL N A 93 VAL CA A 93 VAL C 1.0 -82.5 -42.5 PHI 104 104 A 93 VAL N A 93 VAL CA A 93 VAL C A 94 ALA N 1.0 -61.4 -21.4 PSI 105 105 A 93 VAL C A 94 ALA N A 94 ALA CA A 94 ALA C 1.0 -81.0 -41.0 PHI 106 106 A 94 ALA N A 94 ALA CA A 94 ALA C A 95 PHE N 1.0 -62.4 -22.4 PSI 107 107 A 94 ALA C A 95 PHE N A 95 PHE CA A 95 PHE C 1.0 -85.5 -45.5 PHI 108 108 A 95 PHE N A 95 PHE CA A 95 PHE C A 96 VAL N 1.0 -64.5 -24.5 PSI 109 109 A 95 PHE C A 96 VAL N A 96 VAL CA A 96 VAL C 1.0 -84.3 -44.3 PHI 110 110 A 96 VAL N A 96 VAL CA A 96 VAL C A 97 THR N 1.0 -61.7 -21.7 PSI 111 111 A 96 VAL C A 97 THR N A 97 THR CA A 97 THR C 1.0 -81.1 -41.1 PHI 112 112 A 97 THR N A 97 THR CA A 97 THR C A 98 GLN N 1.0 -61.2 -21.2 PSI 113 113 A 97 THR C A 98 GLN N A 98 GLN CA A 98 GLN C 1.0 -81.3 -41.3 PHI 114 114 A 98 GLN N A 98 GLN CA A 98 GLN C A 99 LEU N 1.0 -61.7 -21.7 PSI 115 115 A 98 GLN C A 99 LEU N A 99 LEU CA A 99 LEU C 1.0 -84.7 -44.7 PHI 116 116 A 99 LEU N A 99 LEU CA A 99 LEU C A 100 VAL N 1.0 -67.3 -27.3 PSI 117 117 A 99 LEU C A 100 VAL N A 100 VAL CA A 100 VAL C 1.0 -82.6 -42.6 PHI 118 118 A 100 VAL N A 100 VAL CA A 100 VAL C A 101 LYS N 1.0 -63.5 -23.5 PSI 119 119 A 100 VAL C A 101 LYS N A 101 LYS CA A 101 LYS C 1.0 -77.1 -37.1 PHI 120 120 A 101 LYS N A 101 LYS CA A 101 LYS C A 102 LYS N 1.0 -61.0 -21.0 PSI 121 121 A 101 LYS C A 102 LYS N A 102 LYS CA A 102 LYS C 1.0 -88.1 -48.1 PHI 122 122 A 102 LYS N A 102 LYS CA A 102 LYS C A 103 LEU N 1.0 -58.1 -18.1 PSI 123 123 A 102 LYS C A 103 LEU N A 103 LEU CA A 103 LEU C 1.0 -82.9 -42.9 PHI 124 124 A 103 LEU N A 103 LEU CA A 103 LEU C A 104 LEU N 1.0 -65.2 -25.2 PSI 125 125 A 103 LEU C A 104 LEU N A 104 LEU CA A 104 LEU C 1.0 -82.9 -42.9 PHI 126 126 A 104 LEU N A 104 LEU CA A 104 LEU C A 105 ILE N 1.0 -59.4 -19.4 PSI 127 127 A 104 LEU C A 105 ILE N A 105 ILE CA A 105 ILE C 1.0 -88.7 -48.7 PHI 128 128 A 105 ILE N A 105 ILE CA A 105 ILE C A 106 ILE N 1.0 -61.2 -21.2 PSI 129 129 A 105 ILE C A 106 ILE N A 106 ILE CA A 106 ILE C 1.0 -86.5 -45.3 PHI 130 130 A 106 ILE N A 106 ILE CA A 106 ILE C A 107 ILE N 1.0 -59.3 -19.3 PSI stop_ save_ save_n.peaks _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode n.peaks _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 8251 2 1H 8251 3 15N 1420 stop_ save_ save_cali.peaks _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode cali.peaks _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 8251 2 1H 8251 3 13C 8304 stop_ save_ save_caro.peaks _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode caro.peaks _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 8251 2 1H 8251 3 13C 8304 stop_ save_