data_nef_c25308_2mwc 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 BMRB 25301 BMRB 25303 BMRB 25304 BMRB 25305 PDB 2MWC 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 THR start . . 2 A 2 ALA middle . . 3 A 3 LYS middle . . 4 A 4 ASN middle . . 5 A 5 THR middle . . 6 A 6 VAL middle . . 7 A 7 VAL middle . . 8 A 8 ARG middle . . 9 A 9 GLY middle . false 10 A 10 LEU middle . . 11 A 11 GLU middle . . 12 A 12 ASN middle . . 13 A 13 VAL middle . . 14 A 14 GLU middle . . 15 A 15 ALA middle . . 16 A 16 LEU middle . . 17 A 17 GLU middle . . 18 A 18 GLY middle . false 19 A 19 GLY middle . false 20 A 20 GLU middle . . 21 A 21 ALA middle . . 22 A 22 LEU middle . . 23 A 23 PHE middle . . 24 A 24 GLU middle . . 25 A 25 CYS middle . . 26 A 26 GLN middle . . 27 A 27 LEU middle . . 28 A 28 SER middle . . 29 A 29 GLN middle . . 30 A 30 PRO middle . false 31 A 31 GLU middle . . 32 A 32 VAL middle . . 33 A 33 ALA middle . . 34 A 34 ALA middle . . 35 A 35 HIS middle . . 36 A 36 THR middle . . 37 A 37 TRP middle . . 38 A 38 LEU middle . . 39 A 39 LEU middle . . 40 A 40 ASP middle . . 41 A 41 ASP middle . . 42 A 42 GLU middle . . 43 A 43 PRO middle . false 44 A 44 VAL middle . . 45 A 45 ARG middle . . 46 A 46 THR middle . . 47 A 47 SER middle . . 48 A 48 GLU middle . . 49 A 49 ASN middle . . 50 A 50 ALA middle . . 51 A 51 GLU middle . . 52 A 52 VAL middle . . 53 A 53 VAL middle . . 54 A 54 PHE middle . . 55 A 55 PHE middle . . 56 A 56 GLU middle . . 57 A 57 ASN middle . . 58 A 58 GLY middle . false 59 A 59 LEU middle . . 60 A 60 ARG middle . . 61 A 61 HIS middle . . 62 A 62 LEU middle . . 63 A 63 LEU middle . . 64 A 64 LEU middle . . 65 A 65 LEU middle . . 66 A 66 LYS middle . . 67 A 67 ASN middle . . 68 A 68 LEU middle . . 69 A 69 ARG middle . . 70 A 70 PRO middle . false 71 A 71 GLN middle . . 72 A 72 ASP middle . . 73 A 73 SER middle . . 74 A 74 CYS middle . . 75 A 75 ARG middle . . 76 A 76 VAL middle . . 77 A 77 THR middle . . 78 A 78 PHE middle . . 79 A 79 LEU middle . . 80 A 80 ALA middle . . 81 A 81 GLY middle . false 82 A 82 ASP middle . . 83 A 83 MET middle . . 84 A 84 VAL middle . . 85 A 85 THR middle . . 86 A 86 SER middle . . 87 A 87 ALA middle . . 88 A 88 PHE middle . . 89 A 89 LEU middle . . 90 A 90 THR middle . . 91 A 91 VAL middle . . 92 A 92 ARG middle . . 93 A 93 GLY middle . false 94 A 94 GLY middle . false 95 A 95 LEU middle . . 96 A 96 GLU middle . . 97 A 97 HIS middle . . 98 A 98 HIS middle . . 99 A 99 HIS middle . . 100 A 100 HIS middle . . 101 A 101 HIS middle . . 102 A 102 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 THR H1 H 1 7.985 0.005 A 1 THR HA H 1 4.518 0.005 A 1 THR HB H 1 4.972 0.005 A 1 THR HG2% H 1 1.200 0.005 A 1 THR C C 13 177.0 0.1 A 1 THR CA C 13 63.7 0.1 A 1 THR CB C 13 70.2 0.1 A 1 THR CG2 C 13 20.6 0.1 A 2 ALA H H 1 8.204 0.005 A 2 ALA HA H 1 4.374 0.005 A 2 ALA HB% H 1 1.352 0.005 A 2 ALA C C 13 177.5 0.1 A 2 ALA CA C 13 52.4 0.1 A 2 ALA CB C 13 19.2 0.1 A 2 ALA N N 15 126.1 0.01 A 3 LYS H H 1 8.364 0.005 A 3 LYS HA H 1 4.250 0.005 A 3 LYS HBx H 1 2.146 0.005 A 3 LYS HBy H 1 2.146 0.005 A 3 LYS HDx H 1 1.992 0.005 A 3 LYS HDy H 1 1.992 0.005 A 3 LYS HEx H 1 3.000 0.005 A 3 LYS HEy H 1 3.000 0.005 A 3 LYS HGx H 1 1.796 0.005 A 3 LYS HGy H 1 1.796 0.005 A 3 LYS C C 13 176.1 0.1 A 3 LYS CA C 13 56.2 0.1 A 3 LYS CB C 13 32.8 0.1 A 3 LYS CD C 13 28.3 0.1 A 3 LYS CE C 13 41.5 0.1 A 3 LYS CG C 13 24.0 0.1 A 3 LYS N N 15 121.5 0.01 A 4 ASN H H 1 8.534 0.005 A 4 ASN HA H 1 4.554 0.005 A 4 ASN HBx H 1 2.680 0.005 A 4 ASN HBy H 1 3.070 0.005 A 4 ASN C C 13 174.6 0.1 A 4 ASN CA C 13 51.9 0.1 A 4 ASN CB C 13 38.3 0.1 A 4 ASN N N 15 122.7 0.01 A 5 THR H H 1 8.886 0.005 A 5 THR HA H 1 4.463 0.005 A 5 THR HB H 1 4.004 0.005 A 5 THR HG2% H 1 1.083 0.005 A 5 THR C C 13 172.2 0.1 A 5 THR CA C 13 60.4 0.1 A 5 THR CB C 13 72.7 0.1 A 5 THR CG2 C 13 21.1 0.1 A 5 THR N N 15 113.9 0.01 A 6 VAL H H 1 8.428 0.005 A 6 VAL HA H 1 3.980 0.005 A 6 VAL HB H 1 1.989 0.005 A 6 VAL HGx% H 1 0.770 0.005 A 6 VAL HGy% H 1 0.770 0.005 A 6 VAL C C 13 172.2 0.1 A 6 VAL CA C 13 62.5 0.1 A 6 VAL CB C 13 31.4 0.1 A 6 VAL CGx C 13 20.1 0.1 A 6 VAL CGy C 13 20.7 0.1 A 6 VAL N N 15 121.1 0.01 A 7 VAL H H 1 8.860 0.005 A 7 VAL HA H 1 3.980 0.005 A 7 VAL HB H 1 1.682 0.005 A 7 VAL HGx% H 1 0.813 0.005 A 7 VAL HGy% H 1 0.813 0.005 A 7 VAL C C 13 176.5 0.1 A 7 VAL CA C 13 64.4 0.1 A 7 VAL CB C 13 32.3 0.1 A 7 VAL CGx C 13 19.6 0.1 A 7 VAL CGy C 13 20.2 0.1 A 7 VAL N N 15 129.4 0.01 A 8 ARG H H 1 7.724 0.005 A 8 ARG HA H 1 4.558 0.005 A 8 ARG HBx H 1 1.829 0.005 A 8 ARG HBy H 1 1.829 0.005 A 8 ARG HDx H 1 3.230 0.005 A 8 ARG HDy H 1 3.230 0.005 A 8 ARG HGx H 1 1.584 0.005 A 8 ARG HGy H 1 1.584 0.005 A 8 ARG C C 13 174.8 0.1 A 8 ARG CA C 13 56.3 0.1 A 8 ARG CB C 13 32.5 0.1 A 8 ARG CD C 13 43.3 0.1 A 8 ARG CG C 13 26.4 0.1 A 8 ARG N N 15 120.5 0.01 A 9 GLY H H 1 8.727 0.005 A 9 GLY HAx H 1 3.890 0.005 A 9 GLY HAy H 1 4.200 0.005 A 9 GLY C C 13 173.3 0.1 A 9 GLY CA C 13 43.8 0.1 A 9 GLY N N 15 112.8 0.01 A 10 LEU H H 1 7.851 0.005 A 10 LEU HA H 1 4.460 0.005 A 10 LEU HBx H 1 1.610 0.005 A 10 LEU HBy H 1 1.610 0.005 A 10 LEU HDx% H 1 1.020 0.005 A 10 LEU HDy% H 1 0.239 0.005 A 10 LEU HG H 1 1.370 0.005 A 10 LEU C C 13 177.0 0.005 A 10 LEU CA C 13 55.1 0.1 A 10 LEU CB C 13 43.5 0.1 A 10 LEU CDx C 13 25.4 0.1 A 10 LEU CDy C 13 25.4 0.1 A 10 LEU CG C 13 25.9 0.1 A 10 LEU N N 15 115.4 0.01 A 11 GLU H H 1 8.507 0.005 A 11 GLU HA H 1 4.726 0.005 A 11 GLU HBx H 1 1.822 0.005 A 11 GLU HBy H 1 1.822 0.005 A 11 GLU HGx H 1 2.371 0.005 A 11 GLU HGy H 1 2.371 0.005 A 11 GLU C C 13 175.1 0.1 A 11 GLU CA C 13 54.2 0.1 A 11 GLU CB C 13 32.7 0.1 A 11 GLU CG C 13 35.1 0.1 A 11 GLU N N 15 120.4 0.01 A 12 ASN H H 1 8.770 0.005 A 12 ASN HA H 1 5.113 0.005 A 12 ASN HBx H 1 2.860 0.005 A 12 ASN HBy H 1 3.050 0.005 A 12 ASN C C 13 176.1 0.1 A 12 ASN CA C 13 53.8 0.1 A 12 ASN CB C 13 38.7 0.1 A 12 ASN N N 15 118.6 0.01 A 13 VAL H H 1 8.583 0.005 A 13 VAL HA H 1 4.253 0.005 A 13 VAL HB H 1 1.690 0.005 A 13 VAL HGx% H 1 0.419 0.005 A 13 VAL HGy% H 1 0.703 0.005 A 13 VAL C C 13 174.2 0.1 A 13 VAL CA C 13 62.2 0.1 A 13 VAL CB C 13 36.2 0.1 A 13 VAL CGx C 13 21.7 0.1 A 13 VAL CGy C 13 21.7 0.1 A 13 VAL N N 15 120.3 0.01 A 14 GLU H H 1 8.545 0.005 A 14 GLU HA H 1 5.250 0.005 A 14 GLU HBx H 1 2.005 0.005 A 14 GLU HBy H 1 2.005 0.005 A 14 GLU HGx H 1 2.195 0.005 A 14 GLU HGy H 1 2.195 0.005 A 14 GLU C C 13 174.7 0.1 A 14 GLU CA C 13 54.9 0.1 A 14 GLU CB C 13 30.7 0.1 A 14 GLU CG C 13 36.1 0.1 A 14 GLU N N 15 128.1 0.01 A 15 ALA H H 1 9.050 0.005 A 15 ALA HA H 1 4.760 0.005 A 15 ALA HB% H 1 1.156 0.005 A 15 ALA C C 13 175.1 0.1 A 15 ALA CA C 13 49.7 0.1 A 15 ALA CB C 13 23.5 0.1 A 15 ALA N N 15 128.8 0.01 A 16 LEU H H 1 8.530 0.005 A 16 LEU HA H 1 4.710 0.005 A 16 LEU HBx H 1 1.499 0.005 A 16 LEU HBy H 1 1.499 0.005 A 16 LEU HDx% H 1 0.740 0.005 A 16 LEU HDy% H 1 0.238 0.005 A 16 LEU C C 13 176.6 0.1 A 16 LEU CA C 13 53.3 0.1 A 16 LEU CB C 13 44.0 0.1 A 16 LEU CDx C 13 26.5 0.1 A 16 LEU CDy C 13 26.5 0.1 A 16 LEU CG C 13 30.6 0.1 A 16 LEU N N 15 121.3 0.01 A 17 GLU H H 1 8.040 0.005 A 17 GLU HA H 1 4.260 0.005 A 17 GLU HBx H 1 1.489 0.005 A 17 GLU HBy H 1 1.489 0.005 A 17 GLU HGx H 1 2.281 0.005 A 17 GLU HGy H 1 2.281 0.005 A 17 GLU C C 13 176.7 0.1 A 17 GLU CA C 13 57.9 0.1 A 17 GLU CB C 13 29.8 0.1 A 17 GLU CG C 13 35.3 0.1 A 17 GLU N N 15 121.3 0.01 A 18 GLY H H 1 9.925 0.005 A 18 GLY HAy H 1 4.370 0.005 A 18 GLY HAx H 1 3.670 0.005 A 18 GLY C C 13 174.9 0.1 A 18 GLY CA C 13 44.9 0.1 A 18 GLY N N 15 116.5 0.01 A 19 GLY H H 1 8.669 0.005 A 19 GLY HAy H 1 4.470 0.005 A 19 GLY HAx H 1 3.830 0.005 A 19 GLY C C 13 171.0 0.1 A 19 GLY CA C 13 43.6 0.1 A 19 GLY N N 15 116.5 0.01 A 20 GLU H H 1 7.760 0.005 A 20 GLU HA H 1 5.336 0.005 A 20 GLU HBx H 1 1.916 0.005 A 20 GLU HBy H 1 1.916 0.005 A 20 GLU HGx H 1 2.182 0.005 A 20 GLU HGy H 1 2.182 0.005 A 20 GLU C C 13 175.6 0.1 A 20 GLU CA C 13 53.5 0.1 A 20 GLU CB C 13 33.6 0.1 A 20 GLU CG C 13 35.5 0.1 A 20 GLU N N 15 113.7 0.01 A 21 ALA H H 1 8.846 0.005 A 21 ALA HA H 1 4.491 0.005 A 21 ALA HB% H 1 1.173 0.005 A 21 ALA C C 13 173.4 0.1 A 21 ALA CA C 13 51.1 0.1 A 21 ALA CB C 13 25.0 0.1 A 21 ALA N N 15 120.4 0.01 A 22 LEU H H 1 7.974 0.005 A 22 LEU HA H 1 5.236 0.005 A 22 LEU HBx H 1 1.514 0.005 A 22 LEU HBy H 1 1.514 0.005 A 22 LEU HDx% H 1 0.755 0.005 A 22 LEU HDy% H 1 0.410 0.005 A 22 LEU HG H 1 1.314 0.005 A 22 LEU C C 13 175.0 0.1 A 22 LEU CA C 13 53.8 0.1 A 22 LEU CB C 13 45.0 0.1 A 22 LEU CDx C 13 24.6 0.1 A 22 LEU CDy C 13 27.5 0.1 A 22 LEU N N 15 123.8 0.01 A 23 PHE H H 1 9.272 0.005 A 23 PHE HA H 1 5.430 0.005 A 23 PHE HBx H 1 2.881 0.005 A 23 PHE HBy H 1 2.881 0.005 A 23 PHE C C 13 173.2 0.1 A 23 PHE CA C 13 57.4 0.1 A 23 PHE CB C 13 42.6 0.1 A 23 PHE N N 15 124.7 0.01 A 24 GLU H H 1 8.612 0.005 A 24 GLU HA H 1 5.780 0.005 A 24 GLU HBx H 1 1.920 0.005 A 24 GLU HBy H 1 1.920 0.005 A 24 GLU HGx H 1 2.200 0.005 A 24 GLU HGy H 1 2.200 0.005 A 24 GLU C C 13 175.4 0.1 A 24 GLU CA C 13 54.8 0.1 A 24 GLU CB C 13 34.3 0.1 A 24 GLU CG C 13 36.8 0.1 A 24 GLU N N 15 121.5 0.01 A 25 CYS H H 1 9.201 0.005 A 25 CYS HA H 1 5.035 0.005 A 25 CYS HBx H 1 2.336 0.005 A 25 CYS HBy H 1 2.336 0.005 A 25 CYS C C 13 172.4 0.1 A 25 CYS CA C 13 55.7 0.1 A 25 CYS CB C 13 30.9 0.1 A 25 CYS N N 15 119.8 0.01 A 26 GLN H H 1 8.705 0.005 A 26 GLN HA H 1 5.418 0.005 A 26 GLN HBx H 1 1.927 0.005 A 26 GLN HBy H 1 1.927 0.005 A 26 GLN HGx H 1 2.319 0.005 A 26 GLN HGy H 1 2.319 0.005 A 26 GLN C C 13 174.7 0.1 A 26 GLN CA C 13 54.0 0.1 A 26 GLN CB C 13 32.3 0.1 A 26 GLN CG C 13 32.8 0.1 A 26 GLN N N 15 121.8 0.01 A 27 LEU H H 1 9.326 0.005 A 27 LEU HA H 1 5.200 0.005 A 27 LEU HBx H 1 2.047 0.005 A 27 LEU HBy H 1 2.047 0.005 A 27 LEU HDx% H 1 0.950 0.005 A 27 LEU HDy% H 1 0.750 0.005 A 27 LEU HG H 1 1.647 0.005 A 27 LEU C C 13 176.3 0.01 A 27 LEU CA C 13 53.1 0.1 A 27 LEU CB C 13 43.9 0.1 A 27 LEU CDy C 13 25.4 0.1 A 27 LEU CDx C 13 22.4 0.1 A 27 LEU CG C 13 27.4 0.1 A 27 LEU N N 15 127.8 0.01 A 28 SER H H 1 8.834 0.005 A 28 SER HA H 1 4.276 0.005 A 28 SER HBx H 1 3.863 0.005 A 28 SER HBy H 1 3.863 0.005 A 28 SER C C 13 176.3 0.1 A 28 SER CA C 13 60.1 0.1 A 28 SER CB C 13 63.5 0.1 A 28 SER N N 15 113.1 0.01 A 29 GLN H H 1 8.671 0.005 A 29 GLN HA H 1 5.403 0.005 A 29 GLN HBx H 1 1.920 0.005 A 29 GLN HBy H 1 1.920 0.005 A 29 GLN HGx H 1 2.310 0.005 A 29 GLN HGy H 1 2.310 0.005 A 29 GLN C C 13 172.8 0.1 A 29 GLN CA C 13 52.3 0.1 A 29 GLN CB C 13 29.1 0.1 A 29 GLN N N 15 121.4 0.01 A 30 PRO HA H 1 3.870 0.005 A 30 PRO HBx H 1 2.220 0.005 A 30 PRO HBy H 1 2.220 0.005 A 30 PRO HDx H 1 3.829 0.005 A 30 PRO HDy H 1 3.829 0.005 A 30 PRO HGx H 1 1.632 0.005 A 30 PRO HGy H 1 1.632 0.005 A 30 PRO CA C 13 63.6 0.1 A 30 PRO CB C 13 32.4 0.1 A 30 PRO CD C 13 50.5 0.1 A 30 PRO CG C 13 27.3 0.1 A 31 GLU H H 1 7.745 0.005 A 31 GLU HA H 1 4.456 0.005 A 31 GLU HBx H 1 1.682 0.005 A 31 GLU HBy H 1 1.682 0.005 A 31 GLU HGx H 1 2.226 0.005 A 31 GLU HGy H 1 2.226 0.005 A 31 GLU C C 13 174.0 0.005 A 31 GLU CA C 13 55.6 0.1 A 31 GLU CB C 13 32.4 0.1 A 31 GLU CG C 13 37.1 0.1 A 31 GLU N N 15 121.5 0.01 A 32 VAL H H 1 8.135 0.005 A 32 VAL HA H 1 4.092 0.005 A 32 VAL HB H 1 2.317 0.005 A 32 VAL HGx% H 1 0.973 0.005 A 32 VAL HGy% H 1 0.973 0.005 A 32 VAL C C 13 175.7 0.1 A 32 VAL CA C 13 60.1 0.1 A 32 VAL CB C 13 32.4 0.1 A 32 VAL CGy C 13 21.4 0.1 A 32 VAL CGx C 13 17.0 0.1 A 32 VAL N N 15 114.4 0.01 A 33 ALA H H 1 8.727 0.005 A 33 ALA HA H 1 4.850 0.005 A 33 ALA HB% H 1 1.440 0.005 A 33 ALA C C 13 177.8 0.1 A 33 ALA CA C 13 53.7 0.1 A 33 ALA CB C 13 22.3 0.1 A 33 ALA N N 15 125.7 0.01 A 34 ALA H H 1 8.244 0.005 A 34 ALA HA H 1 4.260 0.005 A 34 ALA HB% H 1 1.248 0.005 A 34 ALA C C 13 176.5 0.1 A 34 ALA CA C 13 51.9 0.1 A 34 ALA CB C 13 19.3 0.1 A 34 ALA N N 15 123.1 0.01 A 35 HIS HA H 1 4.560 0.005 A 35 HIS HBx H 1 2.310 0.005 A 35 HIS HBy H 1 2.310 0.005 A 35 HIS CA C 13 55.7 0.1 A 35 HIS CB C 13 32.0 0.1 A 36 THR H H 1 8.244 0.005 A 36 THR HA H 1 4.221 0.005 A 36 THR HB H 1 3.667 0.005 A 36 THR HG2% H 1 1.027 0.005 A 36 THR C C 13 170.5 0.1 A 36 THR CA C 13 62.0 0.1 A 36 THR CB C 13 72.6 0.1 A 36 THR CG2 C 13 20.3 0.1 A 36 THR N N 15 117.7 0.01 A 37 TRP H H 1 8.729 0.005 A 37 TRP HA H 1 5.465 0.005 A 37 TRP HBx H 1 2.910 0.005 A 37 TRP HBy H 1 2.910 0.005 A 37 TRP C C 13 176.0 0.005 A 37 TRP CA C 13 55.7 0.1 A 37 TRP CB C 13 31.5 0.1 A 37 TRP N N 15 124.9 0.01 A 38 LEU H H 1 9.631 0.005 A 38 LEU HA H 1 4.420 0.005 A 38 LEU HBx H 1 1.574 0.005 A 38 LEU HBy H 1 1.574 0.005 A 38 LEU HDx% H 1 0.650 0.005 A 38 LEU HDy% H 1 0.496 0.005 A 38 LEU HG H 1 1.221 0.005 A 38 LEU C C 13 176.0 0.1 A 38 LEU CA C 13 54.0 0.1 A 38 LEU CB C 13 45.8 0.1 A 38 LEU N N 15 120.9 0.01 A 39 LEU H H 1 8.465 0.005 A 39 LEU HA H 1 4.960 0.005 A 39 LEU HBx H 1 1.780 0.005 A 39 LEU HBy H 1 1.780 0.005 A 39 LEU HDx% H 1 0.805 0.005 A 39 LEU HDy% H 1 0.810 0.005 A 39 LEU HG H 1 1.518 0.005 A 39 LEU C C 13 178.0 0.01 A 39 LEU CA C 13 53.4 0.1 A 39 LEU CB C 13 39.6 0.1 A 39 LEU CDx C 13 25.0 0.1 A 39 LEU CDy C 13 25.0 0.1 A 39 LEU N N 15 120.2 0.01 A 40 ASP H H 1 9.825 0.005 A 40 ASP HA H 1 4.190 0.005 A 40 ASP HBx H 1 2.881 0.005 A 40 ASP HBy H 1 2.881 0.005 A 40 ASP C C 13 175.2 0.1 A 40 ASP CA C 13 57.1 0.1 A 40 ASP CB C 13 39.4 0.1 A 40 ASP N N 15 126.4 0.01 A 41 ASP H H 1 7.359 0.005 A 41 ASP HA H 1 4.480 0.005 A 41 ASP HBx H 1 2.690 0.005 A 41 ASP HBy H 1 2.690 0.005 A 41 ASP N N 15 125.7 0.01 A 42 GLU H H 1 8.107 0.005 A 42 GLU HA H 1 4.939 0.005 A 42 GLU HBx H 1 2.015 0.005 A 42 GLU HBy H 1 2.015 0.005 A 42 GLU HGx H 1 2.310 0.005 A 42 GLU HGy H 1 2.310 0.005 A 42 GLU C C 13 173.9 0.1 A 42 GLU CA C 13 52.9 0.1 A 42 GLU CB C 13 31.3 0.1 A 42 GLU N N 15 122.7 0.01 A 43 PRO HA H 1 5.000 0.005 A 43 PRO HBx H 1 1.850 0.005 A 43 PRO HBy H 1 1.850 0.005 A 43 PRO HDx H 1 3.790 0.005 A 43 PRO HDy H 1 3.790 0.005 A 43 PRO HGx H 1 2.080 0.005 A 43 PRO HGy H 1 2.080 0.005 A 43 PRO CA C 13 62.7 0.1 A 43 PRO CB C 13 32.0 0.1 A 43 PRO CD C 13 51.3 0.1 A 43 PRO CG C 13 27.2 0.1 A 44 VAL H H 1 8.416 0.005 A 44 VAL HA H 1 4.161 0.005 A 44 VAL HB H 1 1.894 0.005 A 44 VAL HGx% H 1 0.630 0.005 A 44 VAL HGy% H 1 0.830 0.005 A 44 VAL C C 13 173.7 0.1 A 44 VAL CA C 13 61.3 0.1 A 44 VAL CB C 13 33.6 0.1 A 44 VAL CGx C 13 20.1 0.1 A 44 VAL CGy C 13 22.0 0.1 A 44 VAL N N 15 122.8 0.01 A 45 ARG H H 1 8.141 0.005 A 45 ARG HA H 1 4.884 0.005 A 45 ARG HBx H 1 1.800 0.005 A 45 ARG HBy H 1 1.800 0.005 A 45 ARG HDx H 1 3.225 0.005 A 45 ARG HDy H 1 3.225 0.005 A 45 ARG HGx H 1 1.414 0.005 A 45 ARG HGy H 1 1.414 0.005 A 45 ARG C C 13 174.2 0.1 A 45 ARG CA C 13 54.0 0.1 A 45 ARG CB C 13 31.5 0.1 A 45 ARG CD C 13 42.5 0.1 A 45 ARG CG C 13 29.4 0.1 A 45 ARG N N 15 124.8 0.01 A 46 THR H H 1 8.621 0.005 A 46 THR HA H 1 4.230 0.005 A 46 THR HB H 1 4.177 0.005 A 46 THR HG2% H 1 1.393 0.005 A 46 THR C C 13 174.4 0.1 A 46 THR CA C 13 64.2 0.1 A 46 THR CB C 13 69.2 0.1 A 46 THR CG2 C 13 21.9 0.1 A 46 THR N N 15 118.4 0.01 A 47 SER H H 1 9.39 0.005 A 47 SER HA H 1 4.753 0.005 A 47 SER HBx H 1 4.300 0.005 A 47 SER HBy H 1 4.300 0.005 A 47 SER C C 13 174.8 0.1 A 47 SER CA C 13 58.3 0.1 A 47 SER CB C 13 64.6 0.1 A 47 SER N N 15 121.8 0.01 A 48 GLU H H 1 9.136 0.005 A 48 GLU HA H 1 4.090 0.005 A 48 GLU HBx H 1 1.976 0.005 A 48 GLU HBy H 1 1.976 0.005 A 48 GLU HGx H 1 2.270 0.005 A 48 GLU HGy H 1 2.270 0.005 A 48 GLU C C 13 176.8 0.1 A 48 GLU CA C 13 59.7 0.1 A 48 GLU CB C 13 29.1 0.1 A 48 GLU N N 15 119.9 0.01 A 49 ASN H H 1 8.223 0.005 A 49 ASN HA H 1 4.890 0.005 A 49 ASN HBx H 1 2.567 0.005 A 49 ASN HBy H 1 3.280 0.005 A 49 ASN C C 13 173.8 0.1 A 49 ASN CA C 13 52.7 0.1 A 49 ASN CB C 13 39.6 0.1 A 49 ASN N N 15 113.0 0.01 A 50 ALA H H 1 7.446 0.005 A 50 ALA HA H 1 5.385 0.005 A 50 ALA HB% H 1 1.120 0.005 A 50 ALA C C 13 175.0 0.1 A 50 ALA CA C 13 52.0 0.1 A 50 ALA CB C 13 21.7 0.1 A 50 ALA N N 15 123.5 0.01 A 51 GLU H H 1 9.148 0.005 A 51 GLU HA H 1 4.630 0.005 A 51 GLU HBx H 1 2.152 0.005 A 51 GLU HBy H 1 2.152 0.005 A 51 GLU HGx H 1 1.904 0.005 A 51 GLU HGy H 1 1.904 0.005 A 51 GLU C C 13 174.0 0.1 A 51 GLU CA C 13 55.3 0.1 A 51 GLU CB C 13 33.1 0.1 A 51 GLU N N 15 122.2 0.01 A 52 VAL H H 1 7.990 0.005 A 52 VAL HA H 1 4.560 0.005 A 52 VAL HB H 1 2.067 0.005 A 52 VAL HGx% H 1 0.787 0.005 A 52 VAL HGy% H 1 0.797 0.005 A 52 VAL C C 13 176.0 0.1 A 52 VAL CA C 13 61.4 0.1 A 52 VAL CB C 13 33.3 0.1 A 52 VAL CGy C 13 21.2 0.1 A 52 VAL CGx C 13 20.0 0.1 A 52 VAL N N 15 124.1 0.01 A 53 VAL H H 1 8.972 0.005 A 53 VAL HA H 1 4.560 0.005 A 53 VAL HB H 1 1.783 0.005 A 53 VAL HGx% H 1 0.790 0.005 A 53 VAL HGy% H 1 0.640 0.005 A 53 VAL C C 13 174.7 0.1 A 53 VAL CA C 13 60.3 0.1 A 53 VAL CB C 13 36.8 0.1 A 53 VAL N N 15 123.6 0.01 A 54 PHE H H 1 7.507 0.005 A 54 PHE HA H 1 5.238 0.005 A 54 PHE HBx H 1 2.338 0.005 A 54 PHE C C 13 173.2 0.1 A 54 PHE CA C 13 55.9 0.1 A 54 PHE CB C 13 40.9 0.1 A 54 PHE N N 15 119.0 0.01 A 55 PHE H H 1 9.279 0.005 A 55 PHE HA H 1 5.008 0.005 A 55 PHE HBx H 1 2.577 0.005 A 55 PHE HBy H 1 2.577 0.005 A 55 PHE C C 13 176.6 0.1 A 55 PHE CA C 13 56.8 0.1 A 55 PHE CB C 13 43.8 0.1 A 55 PHE N N 15 117.4 0.01 A 56 GLU H H 1 9.731 0.005 A 56 GLU HA H 1 3.959 0.005 A 56 GLU HBx H 1 2.07 0.005 A 56 GLU HBy H 1 2.07 0.005 A 56 GLU HGx H 1 2.33 0.005 A 56 GLU HGy H 1 2.33 0.005 A 56 GLU C C 13 177.3 0.1 A 56 GLU CA C 13 56.0 0.1 A 56 GLU CB C 13 27.4 0.1 A 56 GLU N N 15 120.3 0.01 A 57 ASN H H 1 9.146 0.005 A 57 ASN HA H 1 4.296 0.005 A 57 ASN HBx H 1 2.959 0.005 A 57 ASN HBy H 1 2.959 0.005 A 57 ASN C C 13 173.3 0.1 A 57 ASN CA C 13 54.3 0.1 A 57 ASN CB C 13 37.6 0.1 A 57 ASN N N 15 111.6 0.01 A 58 GLY H H 1 7.356 0.005 A 58 GLY HAx H 1 4.077 0.005 A 58 GLY HAy H 1 4.077 0.005 A 58 GLY CA C 13 45.0 0.1 A 58 GLY N N 15 103.5 0.01 A 59 LEU H H 1 7.341 0.005 A 59 LEU HA H 1 4.299 0.005 A 59 LEU HBx H 1 1.850 0.005 A 59 LEU HBy H 1 1.850 0.005 A 59 LEU HDx% H 1 0.954 0.005 A 59 LEU HDy% H 1 0.570 0.005 A 59 LEU HG H 1 1.430 0.005 A 59 LEU C C 13 175.6 0.1 A 59 LEU CA C 13 56.6 0.1 A 59 LEU CB C 13 43.5 0.1 A 59 LEU CDx C 13 24.8 0.1 A 59 LEU CDy C 13 26.8 0.1 A 59 LEU CG C 13 26.8 0.1 A 59 LEU N N 15 119.8 0.01 A 60 ARG H H 1 7.188 0.005 A 60 ARG HA H 1 5.211 0.005 A 60 ARG HBx H 1 1.682 0.005 A 60 ARG HBy H 1 1.682 0.005 A 60 ARG HDx H 1 2.975 0.005 A 60 ARG HDy H 1 2.975 0.005 A 60 ARG HGx H 1 1.378 0.005 A 60 ARG HGy H 1 1.378 0.005 A 60 ARG C C 13 173.7 0.1 A 60 ARG CA C 13 54.8 0.1 A 60 ARG CB C 13 33.9 0.1 A 60 ARG CD C 13 43.7 0.1 A 60 ARG CG C 13 27.6 0.1 A 60 ARG N N 15 116.7 0.01 A 61 HIS H H 1 8.824 0.005 A 61 HIS HA H 1 4.840 0.005 A 61 HIS HBy H 1 3.200 0.005 A 61 HIS HBx H 1 2.370 0.005 A 61 HIS C C 13 173.6 0.005 A 61 HIS CA C 13 56.8 0.1 A 61 HIS CB C 13 35.9 0.1 A 61 HIS N N 15 126.5 0.1 A 62 LEU H H 1 9.040 0.005 A 62 LEU HA H 1 5.630 0.005 A 62 LEU HBx H 1 1.620 0.005 A 62 LEU HBy H 1 1.620 0.005 A 62 LEU HDx% H 1 0.867 0.005 A 62 LEU HDy% H 1 0.640 0.005 A 62 LEU HG H 1 1.150 0.005 A 62 LEU C C 13 173.2 0.1 A 62 LEU CA C 13 55.0 0.1 A 62 LEU CB C 13 47.0 0.1 A 62 LEU CDx C 13 26.0 0.1 A 62 LEU CDy C 13 26.0 0.1 A 62 LEU CG C 13 28.2 0.1 A 62 LEU N N 15 124.1 0.01 A 63 LEU H H 1 8.350 0.005 A 63 LEU HA H 1 4.521 0.005 A 63 LEU HBx H 1 1.670 0.005 A 63 LEU HBy H 1 1.670 0.005 A 63 LEU HDx% H 1 1.630 0.005 A 63 LEU HDy% H 1 0.820 0.005 A 63 LEU HG H 1 1.470 0.005 A 63 LEU C C 13 173.6 0.1 A 63 LEU CA C 13 52.8 0.1 A 63 LEU CB C 13 42.7 0.1 A 63 LEU CDx C 13 23.3 0.1 A 63 LEU CDy C 13 23.3 0.1 A 63 LEU CG C 13 27.0 0.1 A 63 LEU N N 15 124.2 0.01 A 64 LEU H H 1 8.765 0.005 A 64 LEU HA H 1 5.200 0.005 A 64 LEU HBx H 1 1.718 0.005 A 64 LEU HBy H 1 1.718 0.005 A 64 LEU HDx% H 1 0.800 0.005 A 64 LEU HDy% H 1 0.320 0.005 A 64 LEU HG H 1 1.290 0.005 A 64 LEU C C 13 175.4 0.1 A 64 LEU CA C 13 53.5 0.1 A 64 LEU CB C 13 44.7 0.1 A 64 LEU CDy C 13 25.5 0.1 A 64 LEU CDx C 13 23.3 0.1 A 64 LEU CG C 13 27.4 0.1 A 64 LEU N N 15 128.1 0.01 A 65 LEU H H 1 9.023 0.005 A 65 LEU HA H 1 5.110 0.005 A 65 LEU HBx H 1 1.702 0.005 A 65 LEU HBy H 1 1.702 0.005 A 65 LEU HDx% H 1 0.799 0.005 A 65 LEU HDy% H 1 0.359 0.005 A 65 LEU HG H 1 1.283 0.005 A 65 LEU C C 13 175.9 0.1 A 65 LEU CA C 13 53.1 0.1 A 65 LEU CB C 13 45.1 0.1 A 65 LEU CDx C 13 22.7 0.1 A 65 LEU CDy C 13 22.7 0.1 A 65 LEU CG C 13 26.3 0.1 A 65 LEU N N 15 125.7 0.01 A 66 LYS H H 1 8.175 0.005 A 66 LYS HA H 1 4.777 0.005 A 66 LYS HBx H 1 1.855 0.005 A 66 LYS HBy H 1 1.855 0.005 A 66 LYS HDx H 1 1.542 0.005 A 66 LYS HDy H 1 1.542 0.005 A 66 LYS HEx H 1 3.020 0.005 A 66 LYS HEy H 1 3.020 0.005 A 66 LYS HGx H 1 1.212 0.005 A 66 LYS HGy H 1 1.212 0.005 A 66 LYS C C 13 174.7 0.1 A 66 LYS CA C 13 54.7 0.1 A 66 LYS CB C 13 36.7 0.1 A 66 LYS CD C 13 29.1 0.1 A 66 LYS CE C 13 42.2 0.1 A 66 LYS CG C 13 24.3 0.1 A 66 LYS N N 15 118.0 0.01 A 67 ASN H H 1 8.667 0.005 A 67 ASN HA H 1 4.006 0.005 A 67 ASN HBx H 1 2.783 0.005 A 67 ASN HBy H 1 2.783 0.005 A 67 ASN C C 13 176.2 0.1 A 67 ASN CA C 13 53.9 0.1 A 67 ASN CB C 13 36.7 0.1 A 67 ASN N N 15 115.9 0.01 A 68 LEU H H 1 7.794 0.005 A 68 LEU HA H 1 4.020 0.005 A 68 LEU HBx H 1 1.458 0.005 A 68 LEU HBy H 1 1.458 0.005 A 68 LEU HDx% H 1 1.189 0.005 A 68 LEU HDy% H 1 0.806 0.005 A 68 LEU C C 13 177.7 0.1 A 68 LEU CA C 13 56.4 0.1 A 68 LEU CB C 13 43.7 0.1 A 68 LEU CDx C 13 22.9 0.1 A 68 LEU CDy C 13 22.9 0.1 A 68 LEU CG C 13 26.7 0.1 A 68 LEU N N 15 115.5 0.01 A 69 ARG H H 1 9.456 0.005 A 69 ARG HA H 1 4.790 0.005 A 69 ARG HBx H 1 1.460 0.005 A 69 ARG HBy H 1 1.460 0.005 A 69 ARG HDx H 1 3.080 0.005 A 69 ARG HDy H 1 3.080 0.005 A 69 ARG HGx H 1 1.790 0.005 A 69 ARG HGy H 1 1.790 0.005 A 69 ARG C C 13 175.1 0.1 A 69 ARG CA C 13 53.1 0.1 A 69 ARG CB C 13 30.5 0.1 A 69 ARG N N 15 122.4 0.01 A 70 PRO HA H 1 4.173 0.005 A 70 PRO HBx H 1 2.069 0.005 A 70 PRO HBy H 1 2.069 0.005 A 70 PRO HDx H 1 3.577 0.005 A 70 PRO HDy H 1 3.577 0.005 A 70 PRO C C 13 178.3 0.1 A 70 PRO CA C 13 66.0 0.1 A 70 PRO CB C 13 31.6 0.1 A 70 PRO CD C 13 52.5 0.1 A 70 PRO CG C 13 28.0 0.1 A 71 GLN H H 1 8.810 0.005 A 71 GLN HA H 1 4.263 0.005 A 71 GLN HBx H 1 2.088 0.005 A 71 GLN HBy H 1 2.088 0.005 A 71 GLN HGx H 1 2.300 0.005 A 71 GLN HGy H 1 2.300 0.005 A 71 GLN C C 13 175.4 0.1 A 71 GLN CA C 13 57.4 0.1 A 71 GLN CB C 13 28.0 0.1 A 71 GLN CG C 13 33.0 0.1 A 71 GLN N N 15 114.2 0.01 A 72 ASP H H 1 8.354 0.005 A 72 ASP HA H 1 5.012 0.005 A 72 ASP HBy H 1 2.623 0.005 A 72 ASP HBx H 1 1.922 0.005 A 72 ASP C C 13 175.3 0.1 A 72 ASP CA C 13 55.5 0.1 A 72 ASP CB C 13 41.5 0.1 A 72 ASP N N 15 120.5 0.01 A 73 SER H H 1 7.385 0.005 A 73 SER HA H 1 4.842 0.005 A 73 SER HBx H 1 3.097 0.005 A 73 SER HBy H 1 3.097 0.005 A 73 SER C C 13 175.4 0.1 A 73 SER CA C 13 60.9 0.1 A 73 SER CB C 13 64.0 0.1 A 73 SER N N 15 114.5 0.01 A 74 CYS H H 1 8.633 0.005 A 74 CYS HA H 1 4.984 0.005 A 74 CYS HBx H 1 3.191 0.005 A 74 CYS HBy H 1 3.191 0.005 A 74 CYS C C 13 172.0 0.005 A 74 CYS CA C 13 57.1 0.1 A 74 CYS CB C 13 29.6 0.1 A 74 CYS N N 15 119.4 0.01 A 75 ARG H H 1 7.987 0.005 A 75 ARG HA H 1 4.264 0.005 A 75 ARG HBx H 1 2.381 0.005 A 75 ARG HBy H 1 2.381 0.005 A 75 ARG HDx H 1 3.419 0.005 A 75 ARG HDy H 1 3.419 0.005 A 75 ARG HGx H 1 1.585 0.005 A 75 ARG HGy H 1 1.585 0.005 A 75 ARG C C 13 175.7 0.1 A 75 ARG CA C 13 56.1 0.1 A 75 ARG CB C 13 30.3 0.1 A 75 ARG CD C 13 43.3 0.1 A 75 ARG CG C 13 31.4 0.1 A 75 ARG N N 15 122.7 0.01 A 76 VAL H H 1 9.191 0.005 A 76 VAL HA H 1 4.650 0.005 A 76 VAL HB H 1 2.110 0.005 A 76 VAL HGx% H 1 1.070 0.005 A 76 VAL HGy% H 1 0.310 0.005 A 76 VAL C C 13 175.0 0.1 A 76 VAL CA C 13 61.9 0.1 A 76 VAL CB C 13 33.6 0.1 A 76 VAL CGx C 13 20.5 0.1 A 76 VAL CGy C 13 20.5 0.1 A 76 VAL N N 15 132.6 0.01 A 77 THR H H 1 8.962 0.005 A 77 THR HA H 1 4.980 0.005 A 77 THR HB H 1 3.713 0.005 A 77 THR HG2% H 1 1.000 0.005 A 77 THR C C 13 171.7 0.1 A 77 THR CA C 13 61.6 0.1 A 77 THR CB C 13 72.3 0.1 A 77 THR CG2 C 13 21.7 0.1 A 77 THR N N 15 122.3 0.01 A 78 PHE H H 1 8.905 0.005 A 78 PHE HA H 1 4.490 0.005 A 78 PHE HBx H 1 2.280 0.005 A 78 PHE HBy H 1 2.280 0.005 A 78 PHE C C 13 172.2 0.1 A 78 PHE CA C 13 56.8 0.1 A 78 PHE CB C 13 40.4 0.1 A 78 PHE N N 15 127.4 0.01 A 79 LEU H H 1 7.906 0.005 A 79 LEU HA H 1 4.814 0.005 A 79 LEU HBx H 1 1.763 0.005 A 79 LEU HBy H 1 1.763 0.005 A 79 LEU HDx% H 1 0.998 0.005 A 79 LEU HDy% H 1 0.640 0.005 A 79 LEU HG H 1 1.244 0.005 A 79 LEU C C 13 174.8 0.1 A 79 LEU CA C 13 53.0 0.1 A 79 LEU CB C 13 46.1 0.1 A 79 LEU CDx C 13 25.5 0.1 A 79 LEU CDy C 13 26.7 0.1 A 79 LEU CG C 13 25.5 0.1 A 79 LEU N N 15 126.8 0.01 A 80 ALA H H 1 7.921 0.005 A 80 ALA HA H 1 4.108 0.005 A 80 ALA HB% H 1 1.000 0.005 A 80 ALA C C 13 176.9 0.1 A 80 ALA CA C 13 51.6 0.1 A 80 ALA CB C 13 19.8 0.1 A 80 ALA N N 15 122.5 0.01 A 81 GLY H H 1 8.849 0.005 A 81 GLY HAx H 1 3.580 0.005 A 81 GLY HAy H 1 3.580 0.005 A 81 GLY C C 13 174.5 0.01 A 81 GLY CA C 13 47.3 0.01 A 81 GLY N N 15 115.8 0.01 A 82 ASP H H 1 8.657 0.005 A 82 ASP HA H 1 4.450 0.005 A 82 ASP HBx H 1 2.685 0.005 A 82 ASP HBy H 1 2.685 0.005 A 82 ASP C C 13 175.7 0.1 A 82 ASP CA C 13 54.2 0.1 A 82 ASP CB C 13 40.8 0.1 A 82 ASP N N 15 126.4 0.01 A 83 MET H H 1 8.087 0.005 A 83 MET HA H 1 4.405 0.005 A 83 MET HBx H 1 1.937 0.005 A 83 MET HBy H 1 1.937 0.005 A 83 MET HE% H 1 0.782 0.005 A 83 MET HGx H 1 2.276 0.005 A 83 MET HGy H 1 2.276 0.005 A 83 MET C C 13 174.4 0.1 A 83 MET CA C 13 55.7 0.1 A 83 MET CB C 13 34.1 0.1 A 83 MET CE C 13 18.7 0.1 A 83 MET CG C 13 33.5 0.1 A 83 MET N N 15 121.9 0.01 A 84 VAL H H 1 8.113 0.005 A 84 VAL HA H 1 5.01 0.005 A 84 VAL HB H 1 1.602 0.005 A 84 VAL HGx% H 1 0.805 0.005 A 84 VAL HGy% H 1 0.805 0.005 A 84 VAL C C 13 174.5 0.1 A 84 VAL CA C 13 60.4 0.1 A 84 VAL CB C 13 35.3 0.1 A 84 VAL CGx C 13 20.3 0.1 A 84 VAL CGy C 13 20.3 0.1 A 84 VAL N N 15 121.7 0.01 A 85 THR H H 1 8.728 0.005 A 85 THR HA H 1 4.361 0.005 A 85 THR HB H 1 4.420 0.005 A 85 THR HG2% H 1 1.365 0.005 A 85 THR C C 13 170.8 0.1 A 85 THR CA C 13 60.6 0.1 A 85 THR CB C 13 69.3 0.1 A 85 THR CG2 C 13 19.3 0.1 A 85 THR N N 15 122.8 0.01 A 86 SER H H 1 8.229 0.005 A 86 SER HA H 1 5.853 0.005 A 86 SER HBx H 1 3.553 0.005 A 86 SER HBy H 1 3.553 0.005 A 86 SER C C 13 172.4 0.1 A 86 SER CA C 13 56.9 0.1 A 86 SER CB C 13 67.2 0.1 A 86 SER N N 15 121.3 0.01 A 87 ALA H H 1 9.240 0.005 A 87 ALA HA H 1 4.530 0.005 A 87 ALA HB% H 1 1.414 0.005 A 87 ALA C C 13 174.1 0.1 A 87 ALA CA C 13 51.7 0.1 A 87 ALA CB C 13 22.5 0.1 A 87 ALA N N 15 124.8 0.01 A 88 PHE H H 1 8.878 0.005 A 88 PHE HA H 1 5.170 0.005 A 88 PHE HBx H 1 2.902 0.005 A 88 PHE HBy H 1 2.902 0.005 A 88 PHE C C 13 174.7 0.1 A 88 PHE CA C 13 58.5 0.1 A 88 PHE CB C 13 41.8 0.1 A 88 PHE N N 15 116.5 0.01 A 89 LEU H H 1 9.306 0.005 A 89 LEU HA H 1 5.449 0.005 A 89 LEU HBx H 1 2.250 0.005 A 89 LEU HBy H 1 2.250 0.005 A 89 LEU HDx% H 1 0.827 0.005 A 89 LEU HDy% H 1 0.210 0.005 A 89 LEU HG H 1 1.417 0.005 A 89 LEU C C 13 176.1 0.1 A 89 LEU CA C 13 53.7 0.1 A 89 LEU CB C 13 44.6 0.1 A 89 LEU CDx C 13 25.8 0.1 A 89 LEU CDy C 13 25.8 0.1 A 89 LEU CG C 13 27.7 0.1 A 89 LEU N N 15 124.7 0.01 A 90 THR H H 1 8.993 0.005 A 90 THR HA H 1 4.053 0.005 A 90 THR HB H 1 4.053 0.005 A 90 THR HG2% H 1 1.192 0.005 A 90 THR C C 13 172.3 0.1 A 90 THR CA C 13 61.9 0.1 A 90 THR CB C 13 70.7 0.1 A 90 THR CG2 C 13 20.8 0.1 A 90 THR N N 15 124.0 0.01 A 91 VAL H H 1 8.553 0.005 A 91 VAL HA H 1 4.500 0.005 A 91 VAL HB H 1 1.956 0.005 A 91 VAL HGx% H 1 0.673 0.005 A 91 VAL HGy% H 1 0.360 0.005 A 91 VAL C C 13 175.3 0.005 A 91 VAL CA C 13 60.2 0.1 A 91 VAL CB C 13 32.5 0.1 A 91 VAL CGx C 13 19.9 0.1 A 91 VAL CGy C 13 19.9 0.1 A 91 VAL N N 15 126.5 0.01 A 92 ARG H H 1 8.712 0.005 A 92 ARG HA H 1 4.440 0.005 A 92 ARG HBx H 1 1.829 0.005 A 92 ARG HBy H 1 1.829 0.005 A 92 ARG HDx H 1 3.135 0.005 A 92 ARG HDy H 1 3.135 0.005 A 92 ARG HGx H 1 1.581 0.005 A 92 ARG HGy H 1 1.581 0.005 A 92 ARG C C 13 175.8 0.1 A 92 ARG CA C 13 54.9 0.1 A 92 ARG CB C 13 31.9 0.1 A 92 ARG CD C 13 43.2 0.1 A 92 ARG CG C 13 26.6 0.1 A 92 ARG N N 15 127.0 0.01 A 93 GLY H H 1 8.665 0.005 A 93 GLY HAy H 1 4.311 0.005 A 93 GLY HAx H 1 3.750 0.005 A 93 GLY C C 13 173.6 0.1 A 93 GLY CA C 13 44.9 0.1 A 93 GLY N N 15 110.4 0.01 A 95 LEU HA H 1 3.998 0.005 A 95 LEU HBx H 1 1.426 0.005 A 95 LEU HBy H 1 1.426 0.005 A 95 LEU HDx% H 1 0.684 0.005 A 95 LEU HDy% H 1 0.684 0.005 A 95 LEU C C 13 176.6 0.1 A 95 LEU CA C 13 53.5 0.1 A 95 LEU CB C 13 44.0 0.1 A 95 LEU CDx C 13 23.4 0.1 A 95 LEU CDy C 13 23.4 0.1 A 95 LEU CG C 13 26.6 0.1 A 96 GLU H H 1 8.040 0.005 A 96 GLU HA H 1 4.263 0.005 A 96 GLU HBx H 1 1.803 0.005 A 96 GLU HBy H 1 1.803 0.005 A 96 GLU C C 13 176.7 0.1 A 96 GLU CA C 13 57.9 0.1 A 96 GLU CB C 13 29.8 0.1 A 96 GLU CG C 13 35.8 0.1 A 96 GLU N N 15 121.3 0.01 A 97 HIS H H 1 8.127 0.005 A 97 HIS HA H 1 4.033 0.005 A 97 HIS HBx H 1 3.122 0.005 A 97 HIS HBy H 1 3.122 0.005 A 97 HIS C C 13 175.3 0.1 A 97 HIS CA C 13 56.7 0.1 A 97 HIS CB C 13 31.1 0.1 A 97 HIS N N 15 119.9 0.01 A 102 HIS H H 1 7.901 0.005 A 102 HIS HA H 1 4.346 0.005 A 102 HIS C C 13 174.2 0.1 A 102 HIS CA C 13 57.5 0.1 A 102 HIS CB C 13 31.1 0.1 A 102 HIS N N 15 125.8 0.01 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 ALA HA A 2 ALA H 1.0 1.8 5.0 2 2 A 2 ALA H A 2 ALA HB% 1.0 1.8 6.0 3 3 A 3 LYS HA A 3 LYS H 1.0 1.8 5.0 4 4 A 3 LYS HBy A 3 LYS H 1.0 1.8 6.0 5 4 A 3 LYS H A 3 LYS HBx 1.0 1.8 6.0 6 5 A 3 LYS HDy A 3 LYS H 1.0 1.8 5.0 7 5 A 3 LYS H A 3 LYS HDx 1.0 1.8 5.0 8 6 A 3 LYS HGy A 3 LYS H 1.0 1.8 6.0 9 6 A 3 LYS H A 3 LYS HGx 1.0 1.8 6.0 10 7 A 4 ASN HA A 4 ASN H 1.0 1.8 5.0 11 8 A 4 ASN HBy A 4 ASN H 1.0 1.8 6.0 12 8 A 4 ASN H A 4 ASN HBx 1.0 1.8 6.0 13 9 A 4 ASN HBy A 4 ASN H 1.0 1.8 6.0 14 9 A 4 ASN H A 4 ASN HBx 1.0 1.8 6.0 15 10 A 5 THR HA A 5 THR H 1.0 1.8 5.0 16 11 A 5 THR HB A 5 THR H 1.0 1.8 6.0 17 12 A 5 THR HG2% A 5 THR H 1.0 1.8 6.0 18 13 A 6 VAL HA A 6 VAL H 1.0 1.8 5.0 19 14 A 6 VAL HB A 6 VAL H 1.0 1.8 6.0 20 15 A 6 VAL H A 6 VAL HGx% 1.0 1.8 6.0 21 16 A 6 VAL HGy% A 6 VAL H 1.0 1.8 6.0 22 17 A 7 VAL HA A 7 VAL H 1.0 1.8 5.0 23 18 A 7 VAL HB A 7 VAL H 1.0 1.8 6.0 24 19 A 7 VAL HGx% A 7 VAL H 1.0 1.8 6.0 25 20 A 7 VAL HGy% A 7 VAL H 1.0 1.8 6.0 26 21 A 8 ARG HA A 8 ARG H 1.0 1.8 4.8 27 22 A 8 ARG H A 8 ARG HBy 1.0 1.8 6.0 28 22 A 8 ARG H A 8 ARG HBx 1.0 1.8 6.0 29 23 A 8 ARG H A 8 ARG HDy 1.0 1.8 6.0 30 23 A 8 ARG H A 8 ARG HDx 1.0 1.8 6.0 31 24 A 9 GLY HAx A 9 GLY H 1.0 1.8 5.0 32 24 A 9 GLY H A 9 GLY HAy 1.0 1.8 5.0 33 25 A 10 LEU HA A 10 LEU H 1.0 1.8 5.0 34 26 A 10 LEU H A 10 LEU HBx 1.0 1.8 6.0 35 26 A 10 LEU H A 10 LEU HBy 1.0 1.8 6.0 36 27 A 10 LEU H A 10 LEU HDx% 1.0 1.8 6.0 37 28 A 10 LEU H A 10 LEU HDy% 1.0 1.8 6.0 38 29 A 10 LEU H A 10 LEU HG 1.0 1.8 6.0 39 30 A 11 GLU HA A 11 GLU H 1.0 1.8 5.0 40 31 A 11 GLU HBy A 11 GLU H 1.0 1.8 6.0 41 31 A 11 GLU H A 11 GLU HBx 1.0 1.8 6.0 42 32 A 11 GLU HGy A 11 GLU H 1.0 1.8 6.0 43 32 A 11 GLU H A 11 GLU HGx 1.0 1.8 6.0 44 33 A 12 ASN HA A 12 ASN H 1.0 1.8 5.0 45 34 A 12 ASN HBy A 12 ASN H 1.0 1.8 6.0 46 34 A 12 ASN H A 12 ASN HBx 1.0 1.8 6.0 47 35 A 13 VAL HA A 13 VAL H 1.0 1.8 5.0 48 36 A 13 VAL HB A 13 VAL H 1.0 1.8 6.0 49 37 A 13 VAL H A 13 VAL HGx% 1.0 1.8 6.0 50 38 A 13 VAL HGy% A 13 VAL H 1.0 1.8 6.0 51 39 A 14 GLU HA A 14 GLU H 1.0 1.8 5.0 52 40 A 14 GLU H A 14 GLU HBx 1.0 1.8 6.0 53 40 A 14 GLU HBy A 14 GLU H 1.0 1.8 6.0 54 41 A 14 GLU H A 14 GLU HGx 1.0 1.8 6.0 55 41 A 14 GLU HGy A 14 GLU H 1.0 1.8 6.0 56 42 A 15 ALA HA A 15 ALA H 1.0 1.8 5.0 57 43 A 15 ALA H A 15 ALA HB% 1.0 1.8 6.0 58 44 A 16 LEU HA A 16 LEU H 1.0 1.8 5.0 59 45 A 16 LEU HBy A 16 LEU H 1.0 1.8 6.0 60 45 A 16 LEU H A 16 LEU HBx 1.0 1.8 6.0 61 46 A 16 LEU HG A 16 LEU H 1.0 1.8 6.0 62 47 A 16 LEU HDx% A 16 LEU H 1.0 1.8 6.0 63 48 A 16 LEU HDy% A 16 LEU H 1.0 1.8 6.0 64 49 A 17 GLU HA A 17 GLU H 1.0 1.8 5.0 65 50 A 17 GLU H A 17 GLU HBx 1.0 1.8 4.2 66 50 A 17 GLU HBy A 17 GLU H 1.0 1.8 4.2 67 51 A 18 GLY H A 18 GLY HAy 1.0 1.8 5.0 68 51 A 18 GLY HAx A 18 GLY H 1.0 1.8 5.0 69 52 A 19 GLY HAx A 19 GLY H 1.0 1.8 5.0 70 52 A 19 GLY H A 19 GLY HAy 1.0 1.8 5.0 71 53 A 20 GLU HA A 20 GLU H 1.0 1.8 5.0 72 54 A 20 GLU H A 20 GLU HBy 1.0 1.8 6.0 73 54 A 20 GLU H A 20 GLU HBx 1.0 1.8 6.0 74 55 A 20 GLU H A 20 GLU HGy 1.0 1.8 6.0 75 55 A 20 GLU H A 20 GLU HGx 1.0 1.8 6.0 76 56 A 21 ALA HA A 21 ALA H 1.0 1.8 5.0 77 57 A 21 ALA HB% A 21 ALA H 1.0 1.8 6.0 78 58 A 22 LEU HA A 22 LEU H 1.0 1.8 5.0 79 59 A 22 LEU HBy A 22 LEU H 1.0 1.8 6.0 80 59 A 22 LEU H A 22 LEU HBx 1.0 1.8 6.0 81 60 A 22 LEU H A 22 LEU HDx% 1.0 1.8 6.0 82 61 A 22 LEU HDy% A 22 LEU H 1.0 1.8 6.0 83 62 A 23 PHE HA A 23 PHE H 1.0 1.8 5.0 84 63 A 23 PHE HBy A 23 PHE H 1.0 1.8 6.0 85 63 A 23 PHE H A 23 PHE HBx 1.0 1.8 6.0 86 64 A 24 GLU HA A 24 GLU H 1.0 1.8 5.0 87 65 A 24 GLU HBy A 24 GLU H 1.0 1.8 6.0 88 65 A 24 GLU H A 24 GLU HBx 1.0 1.8 6.0 89 66 A 24 GLU HGy A 24 GLU H 1.0 1.8 6.0 90 66 A 24 GLU H A 24 GLU HGx 1.0 1.8 6.0 91 67 A 25 CYS HA A 25 CYS H 1.0 1.8 5.0 92 68 A 25 CYS HBy A 25 CYS H 1.0 1.8 6.0 93 68 A 25 CYS H A 25 CYS HBx 1.0 1.8 6.0 94 69 A 26 GLN HA A 26 GLN H 1.0 1.8 5.0 95 70 A 26 GLN H A 26 GLN HBx 1.0 1.8 6.0 96 70 A 26 GLN H A 26 GLN HBy 1.0 1.8 6.0 97 71 A 26 GLN H A 26 GLN HGx 1.0 1.8 6.0 98 71 A 26 GLN H A 26 GLN HGy 1.0 1.8 6.0 99 72 A 27 LEU HA A 27 LEU H 1.0 1.8 5.0 100 73 A 27 LEU H A 27 LEU HBx 1.0 1.8 6.0 101 73 A 27 LEU H A 27 LEU HBy 1.0 1.8 6.0 102 74 A 27 LEU H A 27 LEU HG 1.0 1.8 6.0 103 75 A 27 LEU H A 27 LEU HDx% 1.0 1.8 6.0 104 76 A 27 LEU H A 27 LEU HDy% 1.0 1.8 6.0 105 77 A 28 SER HA A 28 SER H 1.0 1.8 5.0 106 78 A 28 SER H A 28 SER HBx 1.0 1.8 6.0 107 78 A 28 SER H A 28 SER HBy 1.0 1.8 6.0 108 79 A 29 GLN HA A 29 GLN H 1.0 1.8 5.0 109 80 A 29 GLN HBy A 29 GLN H 1.0 1.8 6.0 110 80 A 29 GLN H A 29 GLN HBx 1.0 1.8 6.0 111 81 A 29 GLN HGy A 29 GLN H 1.0 1.8 6.0 112 81 A 29 GLN H A 29 GLN HGx 1.0 1.8 6.0 113 82 A 30 PRO HA A 30 PRO HBx 1.0 1.8 5.0 114 82 A 30 PRO HBy A 30 PRO HA 1.0 1.8 5.0 115 83 A 30 PRO HA A 30 PRO HGx 1.0 1.8 6.0 116 83 A 30 PRO HA A 30 PRO HGy 1.0 1.8 6.0 117 84 A 30 PRO HA A 30 PRO HDx 1.0 1.8 6.0 118 84 A 30 PRO HA A 30 PRO HDy 1.0 1.8 6.0 119 85 A 31 GLU HA A 31 GLU H 1.0 1.8 5.0 120 86 A 31 GLU H A 31 GLU HBx 1.0 1.8 6.0 121 86 A 31 GLU H A 31 GLU HBy 1.0 1.8 6.0 122 87 A 31 GLU H A 31 GLU HGx 1.0 1.8 6.0 123 87 A 31 GLU H A 31 GLU HGy 1.0 1.8 6.0 124 88 A 32 VAL HA A 32 VAL H 1.0 1.8 5.0 125 89 A 32 VAL HB A 32 VAL H 1.0 1.8 6.0 126 90 A 32 VAL H A 32 VAL HGx% 1.0 1.8 6.0 127 91 A 32 VAL HGy% A 32 VAL H 1.0 1.8 6.0 128 92 A 33 ALA HA A 33 ALA H 1.0 1.8 6.0 129 93 A 33 ALA HB% A 33 ALA H 1.0 1.8 4.2 130 94 A 34 ALA HA A 34 ALA H 1.0 1.8 5.0 131 95 A 34 ALA HB% A 34 ALA H 1.0 1.8 6.0 132 96 A 35 HIS HA A 35 HIS HBx 1.0 1.8 6.0 133 96 A 35 HIS HBy A 35 HIS HA 1.0 1.8 6.0 134 97 A 36 THR HA A 36 THR H 1.0 1.8 5.0 135 98 A 36 THR H A 36 THR HB 1.0 1.8 6.0 136 99 A 37 TRP HA A 37 TRP H 1.0 1.8 5.0 137 100 A 37 TRP HBy A 37 TRP H 1.0 1.8 6.0 138 100 A 37 TRP H A 37 TRP HBx 1.0 1.8 6.0 139 101 A 38 LEU HA A 38 LEU H 1.0 1.8 5.0 140 102 A 38 LEU HBy A 38 LEU H 1.0 1.8 6.0 141 102 A 38 LEU H A 38 LEU HBx 1.0 1.8 6.0 142 103 A 38 LEU HDy% A 38 LEU H 1.0 1.8 6.0 143 104 A 38 LEU H A 38 LEU HDx% 1.0 1.8 6.0 144 105 A 38 LEU HG A 38 LEU H 1.0 1.8 6.0 145 106 A 39 LEU HA A 39 LEU H 1.0 1.8 5.0 146 107 A 39 LEU HBy A 39 LEU H 1.0 1.8 6.0 147 107 A 39 LEU H A 39 LEU HBx 1.0 1.8 6.0 148 108 A 39 LEU HG A 39 LEU H 1.0 1.8 6.0 149 109 A 39 LEU HDx% A 39 LEU H 1.0 1.8 6.0 150 110 A 39 LEU HDy% A 39 LEU H 1.0 1.8 6.0 151 111 A 40 ASP HA A 40 ASP H 1.0 1.8 5.0 152 112 A 40 ASP HBy A 40 ASP H 1.0 1.8 6.0 153 112 A 40 ASP H A 40 ASP HBx 1.0 1.8 6.0 154 113 A 41 ASP HA A 41 ASP H 1.0 1.8 5.0 155 114 A 41 ASP H A 41 ASP HBx 1.0 1.8 6.0 156 114 A 41 ASP H A 41 ASP HBy 1.0 1.8 6.0 157 115 A 42 GLU HA A 42 GLU H 1.0 1.8 5.0 158 116 A 42 GLU HBy A 42 GLU H 1.0 1.8 6.0 159 116 A 42 GLU H A 42 GLU HBx 1.0 1.8 6.0 160 117 A 43 PRO HA A 43 PRO HBx 1.0 1.8 6.0 161 117 A 43 PRO HBy A 43 PRO HA 1.0 1.8 6.0 162 118 A 43 PRO HA A 43 PRO HGx 1.0 1.8 6.0 163 118 A 43 PRO HA A 43 PRO HGy 1.0 1.8 6.0 164 119 A 43 PRO HA A 43 PRO HDx 1.0 1.8 6.0 165 119 A 43 PRO HA A 43 PRO HDy 1.0 1.8 6.0 166 120 A 44 VAL HA A 44 VAL H 1.0 1.8 6.0 167 121 A 44 VAL HB A 44 VAL H 1.0 1.8 6.0 168 122 A 44 VAL H A 44 VAL HGx% 1.0 1.8 6.0 169 123 A 44 VAL HGy% A 44 VAL H 1.0 1.8 6.0 170 124 A 45 ARG HA A 45 ARG H 1.0 1.8 5.0 171 125 A 45 ARG H A 45 ARG HBx 1.0 1.8 6.0 172 125 A 45 ARG H A 45 ARG HBy 1.0 1.8 6.0 173 126 A 45 ARG H A 45 ARG HGx 1.0 1.8 6.0 174 126 A 45 ARG H A 45 ARG HGy 1.0 1.8 6.0 175 127 A 45 ARG H A 45 ARG HDy 1.0 1.8 6.0 176 127 A 45 ARG H A 45 ARG HDx 1.0 1.8 6.0 177 128 A 46 THR HA A 46 THR H 1.0 1.8 5.0 178 129 A 46 THR HB A 46 THR H 1.0 1.8 6.0 179 130 A 46 THR HG2% A 46 THR H 1.0 1.8 6.0 180 131 A 47 SER HA A 47 SER H 1.0 1.8 5.0 181 132 A 47 SER HBy A 47 SER H 1.0 1.8 6.0 182 132 A 47 SER H A 47 SER HBx 1.0 1.8 6.0 183 133 A 48 GLU HA A 48 GLU H 1.0 1.8 5.0 184 134 A 48 GLU HBy A 48 GLU H 1.0 1.8 6.0 185 134 A 48 GLU H A 48 GLU HBx 1.0 1.8 6.0 186 135 A 48 GLU HGy A 48 GLU H 1.0 1.8 6.0 187 135 A 48 GLU H A 48 GLU HGx 1.0 1.8 6.0 188 136 A 49 ASN HA A 49 ASN H 1.0 1.8 3.5 189 137 A 49 ASN HBx A 49 ASN H 1.0 1.8 6.0 190 138 A 49 ASN HBx A 49 ASN H 1.0 1.8 6.0 191 138 A 49 ASN H A 49 ASN HBy 1.0 1.8 6.0 192 139 A 50 ALA HA A 50 ALA H 1.0 1.8 5.0 193 140 A 50 ALA H A 50 ALA HB% 1.0 1.8 6.0 194 141 A 51 GLU HA A 51 GLU H 1.0 1.8 5.0 195 142 A 51 GLU HBy A 51 GLU H 1.0 1.8 6.0 196 142 A 51 GLU H A 51 GLU HBx 1.0 1.8 6.0 197 143 A 51 GLU HGy A 51 GLU H 1.0 1.8 6.0 198 143 A 51 GLU H A 51 GLU HGx 1.0 1.8 6.0 199 144 A 52 VAL HA A 52 VAL H 1.0 1.8 5.0 200 145 A 52 VAL HB A 52 VAL H 1.0 1.8 6.0 201 146 A 52 VAL H A 52 VAL HGx% 1.0 1.8 6.0 202 147 A 52 VAL HGy% A 52 VAL H 1.0 1.8 6.0 203 148 A 53 VAL HA A 53 VAL H 1.0 1.8 5.0 204 149 A 53 VAL HB A 53 VAL H 1.0 1.8 6.0 205 150 A 53 VAL HGx% A 53 VAL H 1.0 1.8 6.0 206 151 A 53 VAL HGy% A 53 VAL H 1.0 1.8 6.0 207 152 A 54 PHE HA A 54 PHE H 1.0 1.8 5.0 208 153 A 54 PHE HBy A 54 PHE H 1.0 1.8 6.0 209 153 A 54 PHE H A 54 PHE HBx 1.0 1.8 6.0 210 154 A 55 PHE HA A 55 PHE H 1.0 1.8 6.0 211 155 A 55 PHE HBy A 55 PHE H 1.0 1.8 6.0 212 155 A 55 PHE H A 55 PHE HBx 1.0 1.8 6.0 213 156 A 56 GLU HA A 56 GLU H 1.0 1.8 6.0 214 157 A 56 GLU H A 56 GLU HBx 1.0 1.8 6.0 215 157 A 56 GLU H A 56 GLU HBy 1.0 1.8 6.0 216 158 A 57 ASN HA A 57 ASN H 1.0 1.8 5.0 217 159 A 57 ASN HBy A 57 ASN H 1.0 1.8 6.0 218 159 A 57 ASN H A 57 ASN HBx 1.0 1.8 6.0 219 160 A 58 GLY HAy A 58 GLY H 1.0 1.8 5.0 220 160 A 58 GLY H A 58 GLY HAx 1.0 1.8 5.0 221 161 A 59 LEU HA A 59 LEU H 1.0 1.8 5.0 222 162 A 59 LEU H A 59 LEU HBx 1.0 1.8 6.0 223 162 A 59 LEU H A 59 LEU HBy 1.0 1.8 6.0 224 163 A 59 LEU H A 59 LEU HG 1.0 1.8 6.0 225 164 A 59 LEU H A 59 LEU HDx% 1.0 1.8 6.0 226 165 A 59 LEU H A 59 LEU HDy% 1.0 1.8 6.0 227 166 A 60 ARG HA A 60 ARG H 1.0 1.8 5.0 228 167 A 60 ARG HBy A 60 ARG H 1.0 1.8 6.0 229 167 A 60 ARG H A 60 ARG HBx 1.0 1.8 6.0 230 168 A 60 ARG HGy A 60 ARG H 1.0 1.8 6.0 231 168 A 60 ARG H A 60 ARG HGx 1.0 1.8 6.0 232 169 A 60 ARG HDy A 60 ARG H 1.0 1.8 6.0 233 169 A 60 ARG H A 60 ARG HDx 1.0 1.8 6.0 234 170 A 61 HIS HA A 61 HIS H 1.0 1.8 5.0 235 171 A 61 HIS HBx A 61 HIS H 1.0 1.8 6.0 236 171 A 61 HIS H A 61 HIS HBy 1.0 1.8 6.0 237 172 A 62 LEU HA A 62 LEU H 1.0 1.8 5.0 238 173 A 62 LEU HBy A 62 LEU H 1.0 1.8 6.0 239 173 A 62 LEU H A 62 LEU HBx 1.0 1.8 6.0 240 174 A 62 LEU HDx% A 62 LEU H 1.0 1.8 6.0 241 175 A 62 LEU HDy% A 62 LEU H 1.0 1.8 6.0 242 176 A 63 LEU HA A 63 LEU H 1.0 1.8 5.0 243 177 A 63 LEU H A 63 LEU HBx 1.0 1.8 6.0 244 177 A 63 LEU H A 63 LEU HBy 1.0 1.8 6.0 245 178 A 63 LEU H A 63 LEU HG 1.0 1.8 6.0 246 179 A 63 LEU H A 63 LEU HDx% 1.0 1.8 6.0 247 180 A 63 LEU H A 63 LEU HDy% 1.0 1.8 6.0 248 181 A 64 LEU HA A 64 LEU H 1.0 1.8 5.0 249 182 A 64 LEU HBy A 64 LEU H 1.0 1.8 6.0 250 182 A 64 LEU H A 64 LEU HBx 1.0 1.8 6.0 251 183 A 64 LEU HG A 64 LEU H 1.0 1.8 6.0 252 184 A 64 LEU H A 64 LEU HDx% 1.0 1.8 6.0 253 185 A 64 LEU HDy% A 64 LEU H 1.0 1.8 6.0 254 186 A 65 LEU HA A 65 LEU H 1.0 1.8 5.0 255 187 A 65 LEU H A 65 LEU HBx 1.0 1.8 6.0 256 187 A 65 LEU H A 65 LEU HBy 1.0 1.8 6.0 257 188 A 65 LEU H A 65 LEU HG 1.0 1.8 6.0 258 189 A 65 LEU H A 65 LEU HDx% 1.0 1.8 6.0 259 190 A 65 LEU H A 65 LEU HDy% 1.0 1.8 6.0 260 191 A 66 LYS HA A 66 LYS H 1.0 1.8 6.0 261 192 A 66 LYS HBy A 66 LYS H 1.0 1.8 5.0 262 192 A 66 LYS H A 66 LYS HBx 1.0 1.8 5.0 263 193 A 66 LYS HGy A 66 LYS H 1.0 1.8 6.0 264 193 A 66 LYS H A 66 LYS HGx 1.0 1.8 6.0 265 194 A 66 LYS HDy A 66 LYS H 1.0 1.8 6.0 266 194 A 66 LYS H A 66 LYS HDx 1.0 1.8 6.0 267 195 A 66 LYS HEy A 66 LYS H 1.0 1.8 6.0 268 195 A 66 LYS H A 66 LYS HEx 1.0 1.8 6.0 269 196 A 67 ASN HA A 67 ASN H 1.0 1.8 6.0 270 197 A 67 ASN H A 67 ASN HBx 1.0 1.8 5.0 271 197 A 67 ASN HBy A 67 ASN H 1.0 1.8 5.0 272 198 A 68 LEU HA A 68 LEU H 1.0 1.8 5.0 273 199 A 68 LEU HBy A 68 LEU H 1.0 1.8 6.0 274 199 A 68 LEU H A 68 LEU HBx 1.0 1.8 6.0 275 200 A 68 LEU HG A 68 LEU H 1.0 1.8 6.0 276 201 A 68 LEU H A 68 LEU HDx% 1.0 1.8 6.0 277 202 A 68 LEU HDy% A 68 LEU H 1.0 1.8 6.0 278 203 A 69 ARG HA A 69 ARG H 1.0 1.8 5.0 279 204 A 69 ARG HBy A 69 ARG H 1.0 1.8 6.0 280 204 A 69 ARG H A 69 ARG HBx 1.0 1.8 6.0 281 205 A 69 ARG H A 69 ARG HGx 1.0 1.8 6.0 282 205 A 69 ARG HGy A 69 ARG H 1.0 1.8 6.0 283 206 A 69 ARG HBy A 70 PRO HDx 1.0 1.8 6.0 284 206 A 69 ARG HBx A 70 PRO HDx 1.0 1.8 6.0 285 206 A 70 PRO HDy A 69 ARG HBx 1.0 1.8 6.0 286 206 A 69 ARG HBy A 70 PRO HDy 1.0 1.8 6.0 287 207 A 69 ARG HGy A 70 PRO HDx 1.0 1.8 6.0 288 207 A 69 ARG HGx A 70 PRO HDx 1.0 1.8 6.0 289 207 A 70 PRO HDy A 69 ARG HGx 1.0 1.8 6.0 290 207 A 70 PRO HDy A 69 ARG HGy 1.0 1.8 6.0 291 208 A 69 ARG HA A 70 PRO HDx 1.0 1.8 6.0 292 208 A 69 ARG HA A 70 PRO HDy 1.0 1.8 6.0 293 209 A 70 PRO HGx A 71 GLN HBx 1.0 1.8 6.0 294 209 A 71 GLN HBy A 70 PRO HGx 1.0 1.8 6.0 295 209 A 70 PRO HGy A 71 GLN HBy 1.0 1.8 6.0 296 209 A 70 PRO HGy A 71 GLN HBx 1.0 1.8 6.0 297 210 A 70 PRO HDx A 71 GLN HBx 1.0 1.8 5.0 298 210 A 70 PRO HDy A 71 GLN HBx 1.0 1.8 5.0 299 210 A 71 GLN HBy A 70 PRO HDx 1.0 1.8 5.0 300 210 A 70 PRO HDy A 71 GLN HBy 1.0 1.8 5.0 301 211 A 71 GLN HBy A 70 PRO HDx 1.0 1.8 4.2 302 211 A 70 PRO HDx A 71 GLN HBx 1.0 1.8 4.2 303 212 A 72 ASP HA A 71 GLN HBx 1.0 1.8 5.0 304 212 A 71 GLN HBy A 72 ASP HA 1.0 1.8 5.0 305 213 A 71 GLN HBy A 72 ASP H 1.0 1.8 6.0 306 213 A 72 ASP H A 71 GLN HBx 1.0 1.8 6.0 307 214 A 72 ASP HA A 72 ASP H 1.0 1.8 5.0 308 215 A 72 ASP HBx A 72 ASP H 1.0 1.8 6.0 309 215 A 72 ASP H A 72 ASP HBy 1.0 1.8 6.0 310 216 A 73 SER HA A 73 SER H 1.0 1.8 5.0 311 217 A 73 SER HBy A 73 SER H 1.0 1.8 5.0 312 217 A 73 SER H A 73 SER HBx 1.0 1.8 5.0 313 218 A 74 CYS HA A 74 CYS H 1.0 1.8 5.0 314 219 A 74 CYS HBy A 74 CYS H 1.0 1.8 5.8 315 219 A 74 CYS H A 74 CYS HBx 1.0 1.8 5.8 316 220 A 75 ARG HA A 75 ARG H 1.0 1.8 5.0 317 221 A 75 ARG HBy A 75 ARG H 1.0 1.8 6.0 318 221 A 75 ARG H A 75 ARG HBx 1.0 1.8 6.0 319 222 A 75 ARG HGy A 75 ARG H 1.0 1.8 6.0 320 222 A 75 ARG H A 75 ARG HGx 1.0 1.8 6.0 321 223 A 75 ARG HDy A 75 ARG H 1.0 1.8 6.0 322 223 A 75 ARG H A 75 ARG HDx 1.0 1.8 6.0 323 224 A 76 VAL HA A 76 VAL H 1.0 1.8 5.0 324 225 A 76 VAL HB A 76 VAL H 1.0 1.8 6.0 325 226 A 76 VAL HGy% A 76 VAL H 1.0 1.8 6.0 326 226 A 76 VAL H A 76 VAL HGx% 1.0 1.8 6.0 327 227 A 76 VAL HGy% A 76 VAL H 1.0 1.8 6.0 328 227 A 76 VAL H A 76 VAL HGx% 1.0 1.8 6.0 329 228 A 77 THR HA A 77 THR H 1.0 1.8 5.0 330 229 A 77 THR H A 77 THR HB 1.0 1.8 6.0 331 230 A 77 THR H A 77 THR HG2% 1.0 1.8 6.0 332 231 A 78 PHE HA A 78 PHE H 1.0 1.8 5.0 333 232 A 78 PHE HBy A 78 PHE H 1.0 1.8 6.0 334 232 A 78 PHE H A 78 PHE HBx 1.0 1.8 6.0 335 233 A 79 LEU HA A 79 LEU H 1.0 1.8 5.0 336 234 A 79 LEU HBy A 79 LEU H 1.0 1.8 6.0 337 234 A 79 LEU H A 79 LEU HBx 1.0 1.8 6.0 338 235 A 79 LEU HG A 79 LEU H 1.0 1.8 6.0 339 236 A 79 LEU HDx% A 79 LEU H 1.0 1.8 6.0 340 237 A 79 LEU HDy% A 79 LEU H 1.0 1.8 6.0 341 238 A 80 ALA HA A 80 ALA H 1.0 1.8 5.0 342 239 A 80 ALA HB% A 80 ALA H 1.0 1.8 6.0 343 240 A 81 GLY HAy A 81 GLY H 1.0 1.8 5.0 344 240 A 81 GLY H A 81 GLY HAx 1.0 1.8 5.0 345 241 A 82 ASP HA A 82 ASP H 1.0 1.8 5.0 346 242 A 82 ASP HBy A 82 ASP H 1.0 1.8 6.0 347 242 A 82 ASP H A 82 ASP HBx 1.0 1.8 6.0 348 243 A 83 MET HA A 83 MET H 1.0 1.8 5.0 349 244 A 83 MET HBy A 83 MET H 1.0 1.8 6.0 350 244 A 83 MET H A 83 MET HBx 1.0 1.8 6.0 351 245 A 83 MET H A 83 MET HGx 1.0 1.8 6.0 352 245 A 83 MET HGy A 83 MET H 1.0 1.8 6.0 353 246 A 83 MET HE% A 83 MET H 1.0 1.8 6.0 354 247 A 84 VAL HA A 84 VAL H 1.0 1.8 5.0 355 248 A 84 VAL HB A 84 VAL H 1.0 1.8 6.0 356 249 A 84 VAL HGx% A 84 VAL H 1.0 1.8 6.0 357 250 A 84 VAL HGy% A 84 VAL H 1.0 1.8 6.0 358 251 A 85 THR HA A 85 THR H 1.0 1.8 5.0 359 252 A 85 THR HB A 85 THR H 1.0 1.8 6.0 360 253 A 85 THR HG2% A 85 THR H 1.0 1.8 6.0 361 254 A 86 SER HA A 86 SER H 1.0 1.8 5.0 362 255 A 86 SER H A 86 SER HBx 1.0 1.8 6.0 363 255 A 86 SER H A 86 SER HBy 1.0 1.8 6.0 364 256 A 87 ALA HA A 87 ALA H 1.0 1.8 5.0 365 257 A 87 ALA HB% A 87 ALA H 1.0 1.8 6.0 366 258 A 88 PHE HA A 88 PHE H 1.0 1.8 5.0 367 259 A 88 PHE HBy A 88 PHE H 1.0 1.8 6.0 368 259 A 88 PHE H A 88 PHE HBx 1.0 1.8 6.0 369 260 A 89 LEU HA A 89 LEU H 1.0 1.8 5.0 370 261 A 89 LEU HBy A 89 LEU H 1.0 1.8 6.0 371 261 A 89 LEU H A 89 LEU HBx 1.0 1.8 6.0 372 262 A 89 LEU HG A 89 LEU H 1.0 1.8 6.0 373 263 A 89 LEU HDx% A 89 LEU H 1.0 1.8 6.0 374 264 A 89 LEU HDy% A 89 LEU H 1.0 1.8 6.0 375 265 A 90 THR HA A 90 THR H 1.0 1.8 5.0 376 266 A 90 THR HB A 90 THR H 1.0 1.8 6.0 377 267 A 90 THR HG2% A 90 THR H 1.0 1.8 6.0 378 268 A 91 VAL HA A 91 VAL H 1.0 1.8 5.0 379 269 A 91 VAL HB A 91 VAL H 1.0 1.8 6.0 380 270 A 91 VAL HGx% A 91 VAL H 1.0 1.8 6.0 381 271 A 91 VAL HGy% A 91 VAL H 1.0 1.8 6.0 382 272 A 92 ARG HA A 92 ARG H 1.0 1.8 5.0 383 273 A 92 ARG HBy A 92 ARG H 1.0 1.8 6.0 384 273 A 92 ARG H A 92 ARG HBx 1.0 1.8 6.0 385 274 A 92 ARG H A 92 ARG HGx 1.0 1.8 6.0 386 274 A 92 ARG HGy A 92 ARG H 1.0 1.8 6.0 387 275 A 92 ARG H A 92 ARG HDx 1.0 1.8 6.0 388 275 A 92 ARG HDy A 92 ARG H 1.0 1.8 6.0 389 276 A 93 GLY HAx A 93 GLY H 1.0 1.8 5.0 390 276 A 93 GLY H A 93 GLY HAy 1.0 1.8 5.0 391 277 A 42 GLU HGx A 43 PRO HGx 1.0 1.8 5.0 392 277 A 42 GLU HGy A 43 PRO HGx 1.0 1.8 5.0 393 277 A 43 PRO HGy A 42 GLU HGx 1.0 1.8 5.0 394 277 A 43 PRO HGy A 42 GLU HGy 1.0 1.8 5.0 395 278 A 42 GLU HGy A 43 PRO HDx 1.0 1.8 6.0 396 278 A 42 GLU HGx A 43 PRO HDx 1.0 1.8 6.0 397 278 A 43 PRO HDy A 42 GLU HGx 1.0 1.8 6.0 398 278 A 43 PRO HDy A 42 GLU HGy 1.0 1.8 6.0 399 279 A 43 PRO HBy A 44 VAL H 1.0 1.8 5.0 400 279 A 44 VAL H A 43 PRO HBx 1.0 1.8 5.0 401 280 A 43 PRO HGy A 44 VAL H 1.0 1.8 6.0 402 280 A 44 VAL H A 43 PRO HGx 1.0 1.8 6.0 403 281 A 2 ALA H A 1 THR HA 1.0 1.8 6.0 404 282 A 2 ALA H A 1 THR HB 1.0 1.8 6.0 405 283 A 3 LYS HA A 4 ASN H 1.0 1.8 4.2 406 284 A 3 LYS H A 4 ASN H 1.0 1.8 6.0 407 285 A 3 LYS HBy A 4 ASN H 1.0 1.8 6.0 408 285 A 4 ASN H A 3 LYS HBx 1.0 1.8 6.0 409 286 A 3 LYS HDy A 4 ASN H 1.0 1.8 6.0 410 286 A 4 ASN H A 3 LYS HDx 1.0 1.8 6.0 411 287 A 3 LYS HGy A 4 ASN H 1.0 1.8 6.0 412 287 A 4 ASN H A 3 LYS HGx 1.0 1.8 6.0 413 288 A 2 ALA HB% A 3 LYS HGx 1.0 1.8 5.0 414 288 A 2 ALA HB% A 3 LYS HGy 1.0 1.8 5.0 415 289 A 4 ASN HBy A 5 THR H 1.0 1.8 6.0 416 289 A 5 THR H A 4 ASN HBx 1.0 1.8 6.0 417 290 A 4 ASN HA A 5 THR H 1.0 1.8 5.0 418 291 A 82 ASP HBy A 4 ASN H 1.0 1.8 6.0 419 291 A 4 ASN H A 82 ASP HBx 1.0 1.8 6.0 420 292 A 83 MET HE% A 4 ASN H 1.0 1.8 6.0 421 293 A 4 ASN HA A 5 THR H 1.0 1.8 4.2 422 294 A 5 THR HA A 6 VAL H 1.0 1.8 5.0 423 295 A 5 THR HG2% A 6 VAL H 1.0 1.8 6.0 424 296 A 5 THR HA A 6 VAL H 1.0 1.8 3.5 425 297 A 5 THR HG2% A 6 VAL H 1.0 1.8 5.0 426 298 A 6 VAL HA A 7 VAL H 1.0 1.8 4.2 427 299 A 7 VAL H A 6 VAL HGx% 1.0 1.8 4.2 428 300 A 6 VAL HB A 7 VAL H 1.0 1.8 6.0 429 301 A 8 ARG H A 7 VAL HB 1.0 1.8 5.0 430 302 A 8 ARG HA A 7 VAL HB 1.0 1.8 6.0 431 303 A 8 ARG HDy A 7 VAL HB 1.0 1.8 6.0 432 303 A 7 VAL HB A 8 ARG HDx 1.0 1.8 6.0 433 304 A 8 ARG H A 9 GLY HAy 1.0 1.8 6.0 434 304 A 8 ARG H A 9 GLY HAx 1.0 1.8 6.0 435 305 A 8 ARG H A 9 GLY H 1.0 1.8 4.2 436 306 A 7 VAL HA A 8 ARG H 1.0 1.8 4.2 437 307 A 7 VAL HB A 8 ARG HDx 1.0 1.8 6.0 438 307 A 8 ARG HDy A 7 VAL HB 1.0 1.8 6.0 439 308 A 7 VAL HGx% A 8 ARG HDx 1.0 1.8 5.0 440 308 A 7 VAL HGx% A 8 ARG HDy 1.0 1.8 5.0 441 309 A 8 ARG H A 7 VAL H 1.0 1.8 4.2 442 310 A 7 VAL HGx% A 8 ARG HBx 1.0 1.8 5.0 443 310 A 7 VAL HGx% A 8 ARG HBy 1.0 1.8 5.0 444 311 A 8 ARG HA A 9 GLY H 1.0 1.8 4.2 445 312 A 8 ARG HDy A 9 GLY H 1.0 1.8 6.0 446 312 A 9 GLY H A 8 ARG HDx 1.0 1.8 6.0 447 313 A 8 ARG HBy A 9 GLY H 1.0 1.8 6.0 448 313 A 9 GLY H A 8 ARG HBx 1.0 1.8 6.0 449 314 A 9 GLY H A 8 ARG HGy 1.0 1.8 6.0 450 314 A 8 ARG HGx A 9 GLY H 1.0 1.8 6.0 451 315 A 10 LEU HG A 9 GLY H 1.0 1.8 5.8 452 316 A 9 GLY HAy A 10 LEU HBx 1.0 1.8 6.0 453 316 A 9 GLY HAx A 10 LEU HBy 1.0 1.8 6.0 454 316 A 9 GLY HAx A 10 LEU HBx 1.0 1.8 6.0 455 316 A 10 LEU HBy A 9 GLY HAy 1.0 1.8 6.0 456 317 A 9 GLY HAy A 10 LEU HBx 1.0 1.8 6.0 457 317 A 9 GLY HAx A 10 LEU HBy 1.0 1.8 6.0 458 317 A 9 GLY HAx A 10 LEU HBx 1.0 1.8 6.0 459 317 A 10 LEU HBy A 9 GLY HAy 1.0 1.8 6.0 460 318 A 9 GLY HAx A 10 LEU HDx% 1.0 1.8 6.0 461 318 A 9 GLY HAy A 10 LEU HDx% 1.0 1.8 6.0 462 319 A 9 GLY HAx A 10 LEU HG 1.0 1.8 6.0 463 319 A 10 LEU HG A 9 GLY HAy 1.0 1.8 6.0 464 320 A 10 LEU H A 9 GLY HAy 1.0 1.8 5.0 465 320 A 9 GLY HAx A 10 LEU H 1.0 1.8 5.0 466 321 A 10 LEU H A 9 GLY H 1.0 1.8 6.0 467 322 A 10 LEU HA A 11 GLU H 1.0 1.8 4.2 468 323 A 10 LEU HA A 11 GLU H 1.0 1.8 3.5 469 324 A 10 LEU H A 11 GLU H 1.0 1.8 5.0 470 325 A 10 LEU HDy% A 11 GLU H 1.0 1.8 6.0 471 326 A 11 GLU H A 10 LEU HDx% 1.0 1.8 5.0 472 327 A 10 LEU HBy A 11 GLU H 1.0 1.8 6.0 473 327 A 11 GLU H A 10 LEU HBx 1.0 1.8 6.0 474 328 A 11 GLU HA A 12 ASN H 1.0 1.8 3.5 475 329 A 12 ASN H A 11 GLU HBx 1.0 1.8 5.0 476 329 A 11 GLU HBy A 12 ASN H 1.0 1.8 5.0 477 330 A 12 ASN H A 11 GLU HGx 1.0 1.8 5.0 478 330 A 11 GLU HGy A 12 ASN H 1.0 1.8 5.0 479 331 A 11 GLU H A 12 ASN H 1.0 1.8 5.0 480 332 A 12 ASN HA A 13 VAL H 1.0 1.8 3.5 481 333 A 12 ASN HA A 13 VAL HGy% 1.0 1.8 5.0 482 334 A 14 GLU HA A 13 VAL HGx% 1.0 1.8 5.0 483 335 A 13 VAL HA A 14 GLU H 1.0 1.8 3.5 484 336 A 13 VAL HB A 14 GLU H 1.0 1.8 6.0 485 337 A 14 GLU H A 13 VAL HGx% 1.0 1.8 6.0 486 338 A 13 VAL HGy% A 14 GLU H 1.0 1.8 6.0 487 339 A 15 ALA H A 14 GLU H 1.0 1.8 6.0 488 340 A 15 ALA HB% A 14 GLU H 1.0 1.8 6.0 489 341 A 14 GLU HA A 15 ALA H 1.0 1.8 3.5 490 342 A 15 ALA HA A 16 LEU H 1.0 1.8 4.2 491 343 A 15 ALA HB% A 16 LEU H 1.0 1.8 5.0 492 344 A 16 LEU H A 17 GLU H 1.0 1.8 6.0 493 345 A 16 LEU HBy A 17 GLU HGx 1.0 1.8 6.0 494 345 A 16 LEU HBx A 17 GLU HGx 1.0 1.8 6.0 495 345 A 17 GLU HGy A 16 LEU HBx 1.0 1.8 6.0 496 345 A 16 LEU HBy A 17 GLU HGy 1.0 1.8 6.0 497 346 A 17 GLU H A 16 LEU HBx 1.0 1.8 5.0 498 346 A 16 LEU HBy A 17 GLU H 1.0 1.8 5.0 499 347 A 16 LEU HG A 17 GLU H 1.0 1.8 4.2 500 348 A 16 LEU HDy% A 17 GLU H 1.0 1.8 5.0 501 349 A 16 LEU HDx% A 17 GLU H 1.0 1.8 6.0 502 350 A 18 GLY HAx A 17 GLU H 1.0 1.8 6.0 503 350 A 17 GLU H A 18 GLY HAy 1.0 1.8 6.0 504 351 A 18 GLY H A 19 GLY H 1.0 1.8 5.0 505 352 A 18 GLY H A 19 GLY HAy 1.0 1.8 6.0 506 352 A 18 GLY H A 19 GLY HAx 1.0 1.8 6.0 507 353 A 18 GLY H A 17 GLU HBx 1.0 1.8 6.0 508 353 A 18 GLY H A 17 GLU HBy 1.0 1.8 6.0 509 354 A 18 GLY H A 17 GLU HGx 1.0 1.8 6.0 510 354 A 18 GLY H A 17 GLU HGy 1.0 1.8 6.0 511 355 A 18 GLY H A 17 GLU H 1.0 1.8 6.0 512 356 A 18 GLY HAx A 19 GLY H 1.0 1.8 6.0 513 356 A 19 GLY H A 18 GLY HAy 1.0 1.8 6.0 514 357 A 18 GLY H A 19 GLY H 1.0 1.8 5.0 515 358 A 18 GLY HAx A 19 GLY HAy 1.0 1.8 6.0 516 358 A 18 GLY HAy A 19 GLY HAy 1.0 1.8 6.0 517 358 A 19 GLY HAx A 18 GLY HAy 1.0 1.8 6.0 518 358 A 18 GLY HAx A 19 GLY HAx 1.0 1.8 6.0 519 359 A 20 GLU H A 19 GLY HAy 1.0 1.8 3.5 520 359 A 19 GLY HAx A 20 GLU H 1.0 1.8 3.5 521 360 A 20 GLU H A 21 ALA H 1.0 1.8 6.0 522 361 A 20 GLU HA A 21 ALA H 1.0 1.8 4.2 523 362 A 20 GLU HA A 21 ALA HB% 1.0 1.8 6.0 524 363 A 20 GLU HA A 21 ALA HA 1.0 1.8 5.0 525 364 A 20 GLU H A 19 GLY H 1.0 1.8 5.0 526 365 A 20 GLU HA A 21 ALA H 1.0 1.8 3.5 527 366 A 21 ALA H A 20 GLU HBx 1.0 1.8 4.2 528 366 A 20 GLU HBy A 21 ALA H 1.0 1.8 4.2 529 367 A 21 ALA H A 20 GLU HGx 1.0 1.8 6.0 530 367 A 20 GLU HGy A 21 ALA H 1.0 1.8 6.0 531 368 A 22 LEU HA A 21 ALA H 1.0 1.8 6.0 532 369 A 22 LEU HDy% A 21 ALA H 1.0 1.8 6.0 533 370 A 21 ALA HA A 22 LEU H 1.0 1.8 6.0 534 371 A 21 ALA HB% A 22 LEU H 1.0 1.8 5.0 535 372 A 21 ALA HA A 22 LEU H 1.0 1.8 4.2 536 373 A 23 PHE H A 22 LEU HBx 1.0 1.8 6.0 537 373 A 22 LEU HBy A 23 PHE H 1.0 1.8 6.0 538 374 A 22 LEU HA A 23 PHE H 1.0 1.8 3.5 539 375 A 23 PHE H A 22 LEU HBx 1.0 1.8 6.0 540 375 A 22 LEU HBy A 23 PHE H 1.0 1.8 6.0 541 376 A 22 LEU HG A 23 PHE H 1.0 1.8 6.0 542 377 A 22 LEU HDy% A 23 PHE H 1.0 1.8 6.0 543 377 A 23 PHE H A 22 LEU HDx% 1.0 1.8 6.0 544 378 A 23 PHE HA A 24 GLU H 1.0 1.8 4.2 545 379 A 23 PHE HD% A 24 GLU H 1.0 1.8 5.0 546 380 A 24 GLU H A 23 PHE HBx 1.0 1.8 4.2 547 380 A 23 PHE HBy A 24 GLU H 1.0 1.8 4.2 548 381 A 24 GLU HA A 25 CYS H 1.0 1.8 6.0 549 382 A 24 GLU HA A 25 CYS H 1.0 1.8 3.5 550 383 A 25 CYS H A 24 GLU HBx 1.0 1.8 4.2 551 383 A 24 GLU HBy A 25 CYS H 1.0 1.8 4.2 552 384 A 25 CYS H A 24 GLU HGx 1.0 1.8 5.0 553 384 A 24 GLU HGy A 25 CYS H 1.0 1.8 5.0 554 385 A 25 CYS HA A 26 GLN H 1.0 1.8 3.5 555 386 A 26 GLN H A 25 CYS HBx 1.0 1.8 5.0 556 386 A 25 CYS HBy A 26 GLN H 1.0 1.8 5.0 557 387 A 26 GLN HA A 27 LEU H 1.0 1.8 4.2 558 388 A 27 LEU H A 26 GLN HBx 1.0 1.8 6.0 559 388 A 26 GLN HBy A 27 LEU H 1.0 1.8 6.0 560 389 A 27 LEU H A 26 GLN HGx 1.0 1.8 5.0 561 389 A 26 GLN HGy A 27 LEU H 1.0 1.8 5.0 562 390 A 27 LEU HA A 28 SER H 1.0 1.8 4.2 563 391 A 28 SER H A 27 LEU HBx 1.0 1.8 5.0 564 391 A 27 LEU HBy A 28 SER H 1.0 1.8 5.0 565 392 A 28 SER H A 27 LEU HG 1.0 1.8 5.0 566 393 A 28 SER H A 27 LEU HDy% 1.0 1.8 6.0 567 394 A 28 SER H A 27 LEU HDx% 1.0 1.8 6.0 568 395 A 28 SER H A 29 GLN HA 1.0 1.8 6.0 569 396 A 28 SER H A 29 GLN H 1.0 1.8 6.0 570 397 A 28 SER HA A 29 GLN H 1.0 1.8 4.2 571 398 A 29 GLN H A 28 SER HBx 1.0 1.8 6.0 572 398 A 28 SER HBy A 29 GLN H 1.0 1.8 6.0 573 399 A 31 GLU H A 30 PRO HGx 1.0 1.8 6.0 574 399 A 30 PRO HGy A 31 GLU H 1.0 1.8 6.0 575 400 A 31 GLU H A 30 PRO HDx 1.0 1.8 4.2 576 400 A 30 PRO HDy A 31 GLU H 1.0 1.8 4.2 577 401 A 31 GLU H A 32 VAL HB 1.0 1.8 6.0 578 402 A 31 GLU H A 32 VAL H 1.0 1.8 6.0 579 403 A 31 GLU H A 32 VAL HA 1.0 1.8 6.0 580 404 A 31 GLU H A 32 VAL HGx% 1.0 1.8 6.0 581 405 A 31 GLU H A 32 VAL HGy% 1.0 1.8 6.0 582 406 A 31 GLU HA A 32 VAL H 1.0 1.8 3.5 583 407 A 31 GLU HA A 32 VAL H 1.0 1.8 5.0 584 408 A 31 GLU HA A 32 VAL H 1.0 1.8 5.0 585 409 A 32 VAL H A 33 ALA H 1.0 1.8 5.0 586 410 A 33 ALA HB% A 32 VAL H 1.0 1.8 6.0 587 411 A 32 VAL HB A 33 ALA H 1.0 1.8 6.0 588 412 A 32 VAL HGy% A 33 ALA H 1.0 1.8 6.0 589 412 A 33 ALA H A 32 VAL HGx% 1.0 1.8 6.0 590 413 A 33 ALA H A 31 GLU HGx 1.0 1.8 6.0 591 413 A 31 GLU HGy A 33 ALA H 1.0 1.8 6.0 592 414 A 33 ALA H A 31 GLU HGx 1.0 1.8 6.0 593 414 A 31 GLU HGy A 33 ALA H 1.0 1.8 6.0 594 415 A 33 ALA H A 34 ALA H 1.0 1.8 6.0 595 416 A 35 HIS HE2 A 33 ALA H 1.0 1.8 6.0 596 417 A 33 ALA HA A 34 ALA HB% 1.0 1.8 5.0 597 418 A 33 ALA HA A 34 ALA H 1.0 1.8 4.2 598 419 A 33 ALA HA A 34 ALA H 1.0 1.8 6.0 599 420 A 35 HIS HA A 36 THR H 1.0 1.8 3.5 600 421 A 36 THR H A 35 HIS HBx 1.0 1.8 4.2 601 421 A 35 HIS HBy A 36 THR H 1.0 1.8 4.2 602 422 A 36 THR HA A 37 TRP H 1.0 1.8 3.5 603 423 A 36 THR HB A 37 TRP H 1.0 1.8 6.0 604 424 A 36 THR HG2% A 37 TRP H 1.0 1.8 4.2 605 425 A 38 LEU HDy% A 37 TRP H 1.0 1.8 6.0 606 426 A 37 TRP HA A 38 LEU H 1.0 1.8 3.5 607 427 A 37 TRP HBy A 38 LEU H 1.0 1.8 5.0 608 427 A 38 LEU H A 37 TRP HBx 1.0 1.8 5.0 609 428 A 38 LEU HA A 39 LEU H 1.0 1.8 3.5 610 429 A 38 LEU HBy A 39 LEU H 1.0 1.8 6.0 611 429 A 39 LEU H A 38 LEU HBx 1.0 1.8 6.0 612 430 A 38 LEU HG A 39 LEU H 1.0 1.8 6.0 613 431 A 39 LEU H A 38 LEU HDx% 1.0 1.8 6.0 614 432 A 38 LEU HDy% A 39 LEU H 1.0 1.8 6.0 615 433 A 39 LEU H A 40 ASP H 1.0 1.8 5.0 616 434 A 39 LEU HA A 40 ASP H 1.0 1.8 4.2 617 435 A 39 LEU HBy A 40 ASP H 1.0 1.8 4.2 618 435 A 40 ASP H A 39 LEU HBx 1.0 1.8 4.2 619 436 A 39 LEU HDx% A 40 ASP H 1.0 1.8 6.0 620 437 A 39 LEU HDy% A 40 ASP H 1.0 1.8 6.0 621 438 A 41 ASP H A 40 ASP H 1.0 1.8 6.0 622 439 A 41 ASP H A 42 GLU H 1.0 1.8 3.5 623 440 A 41 ASP HA A 42 GLU H 1.0 1.8 6.0 624 441 A 41 ASP HBy A 42 GLU H 1.0 1.8 6.0 625 441 A 42 GLU H A 41 ASP HBx 1.0 1.8 6.0 626 442 A 43 PRO HA A 44 VAL H 1.0 1.8 3.5 627 443 A 44 VAL HA A 43 PRO HBx 1.0 1.8 6.0 628 443 A 43 PRO HBy A 44 VAL HA 1.0 1.8 6.0 629 444 A 44 VAL H A 43 PRO HBx 1.0 1.8 4.2 630 444 A 43 PRO HBy A 44 VAL H 1.0 1.8 4.2 631 445 A 43 PRO HGy A 44 VAL H 1.0 1.8 6.0 632 445 A 44 VAL H A 43 PRO HGx 1.0 1.8 6.0 633 446 A 43 PRO HDy A 44 VAL H 1.0 1.8 6.0 634 446 A 44 VAL H A 43 PRO HDx 1.0 1.8 6.0 635 447 A 44 VAL HA A 45 ARG H 1.0 1.8 4.2 636 448 A 45 ARG H A 44 VAL HB 1.0 1.8 6.0 637 449 A 45 ARG H A 44 VAL HGx% 1.0 1.8 6.0 638 450 A 45 ARG H A 44 VAL HGy% 1.0 1.8 5.0 639 451 A 45 ARG H A 44 VAL H 1.0 1.8 6.0 640 452 A 45 ARG HA A 46 THR H 1.0 1.8 3.5 641 453 A 45 ARG HBy A 46 THR H 1.0 1.8 6.0 642 453 A 46 THR H A 45 ARG HBx 1.0 1.8 6.0 643 454 A 45 ARG HGy A 46 THR H 1.0 1.8 6.0 644 454 A 46 THR H A 45 ARG HGx 1.0 1.8 6.0 645 455 A 46 THR H A 45 ARG HDy 1.0 1.8 6.0 646 455 A 45 ARG HDx A 46 THR H 1.0 1.8 6.0 647 456 A 45 ARG HDx A 46 THR H 1.0 1.8 6.0 648 456 A 46 THR H A 45 ARG HDy 1.0 1.8 6.0 649 457 A 45 ARG HDx A 46 THR H 1.0 1.8 6.0 650 458 A 46 THR HA A 47 SER H 1.0 1.8 3.5 651 459 A 46 THR HB A 47 SER H 1.0 1.8 6.0 652 460 A 46 THR HG2% A 47 SER H 1.0 1.8 4.2 653 461 A 48 GLU HA A 47 SER H 1.0 1.8 6.0 654 462 A 47 SER HA A 48 GLU H 1.0 1.8 4.2 655 463 A 48 GLU H A 47 SER HBx 1.0 1.8 6.0 656 463 A 47 SER HBy A 48 GLU H 1.0 1.8 6.0 657 464 A 49 ASN HBx A 48 GLU H 1.0 1.8 6.0 658 464 A 48 GLU H A 49 ASN HBy 1.0 1.8 6.0 659 465 A 50 ALA HA A 49 ASN H 1.0 1.8 6.0 660 466 A 50 ALA H A 49 ASN H 1.0 1.8 3.5 661 467 A 50 ALA HB% A 49 ASN H 1.0 1.8 6.0 662 468 A 48 GLU HA A 49 ASN H 1.0 1.8 5.0 663 469 A 48 GLU H A 49 ASN H 1.0 1.8 6.0 664 470 A 48 GLU HBy A 49 ASN H 1.0 1.8 4.2 665 470 A 49 ASN H A 48 GLU HBx 1.0 1.8 4.2 666 471 A 48 GLU HGy A 49 ASN H 1.0 1.8 6.0 667 471 A 49 ASN H A 48 GLU HGx 1.0 1.8 6.0 668 472 A 49 ASN HA A 50 ALA H 1.0 1.8 3.5 669 473 A 50 ALA H A 49 ASN HBy 1.0 1.8 5.0 670 473 A 49 ASN HBx A 50 ALA H 1.0 1.8 5.0 671 474 A 50 ALA HA A 51 GLU H 1.0 1.8 2.7 672 475 A 50 ALA HB% A 51 GLU H 1.0 1.8 5.0 673 476 A 51 GLU HA A 52 VAL H 1.0 1.8 3.5 674 477 A 51 GLU HBy A 52 VAL H 1.0 1.8 6.0 675 477 A 52 VAL H A 51 GLU HBx 1.0 1.8 6.0 676 478 A 51 GLU HGy A 52 VAL H 1.0 1.8 6.0 677 478 A 52 VAL H A 51 GLU HGx 1.0 1.8 6.0 678 479 A 53 VAL HGx% A 52 VAL H 1.0 1.8 5.0 679 480 A 52 VAL HA A 53 VAL H 1.0 1.8 3.5 680 481 A 52 VAL HB A 53 VAL H 1.0 1.8 5.0 681 482 A 53 VAL H A 52 VAL HGx% 1.0 1.8 5.0 682 483 A 52 VAL HGy% A 53 VAL H 1.0 1.8 5.0 683 484 A 53 VAL HA A 54 PHE H 1.0 1.8 4.2 684 485 A 53 VAL HB A 54 PHE H 1.0 1.8 6.0 685 486 A 53 VAL HGx% A 54 PHE H 1.0 1.8 6.0 686 487 A 53 VAL HGy% A 54 PHE H 1.0 1.8 4.2 687 488 A 55 PHE HE% A 54 PHE H 1.0 1.8 5.0 688 489 A 54 PHE HA A 55 PHE H 1.0 1.8 4.2 689 490 A 54 PHE HBy A 55 PHE H 1.0 1.8 5.0 690 490 A 55 PHE H A 54 PHE HBx 1.0 1.8 5.0 691 491 A 55 PHE HA A 56 GLU H 1.0 1.8 4.2 692 492 A 56 GLU HA A 57 ASN H 1.0 1.8 6.0 693 493 A 56 GLU HBy A 57 ASN H 1.0 1.8 6.0 694 493 A 57 ASN H A 56 GLU HBx 1.0 1.8 6.0 695 494 A 56 GLU H A 57 ASN H 1.0 1.8 6.0 696 495 A 57 ASN H A 58 GLY H 1.0 1.8 5.0 697 496 A 30 PRO HA A 57 ASN HBx 1.0 1.8 4.2 698 496 A 30 PRO HA A 57 ASN HBy 1.0 1.8 4.2 699 497 A 57 ASN HA A 58 GLY H 1.0 1.8 4.2 700 498 A 58 GLY H A 57 ASN HBx 1.0 1.8 6.0 701 498 A 57 ASN HBy A 58 GLY H 1.0 1.8 6.0 702 499 A 59 LEU HBy A 58 GLY H 1.0 1.8 6.0 703 499 A 58 GLY H A 59 LEU HBx 1.0 1.8 6.0 704 500 A 59 LEU H A 58 GLY H 1.0 1.8 4.2 705 501 A 58 GLY HAy A 59 LEU H 1.0 1.8 4.2 706 501 A 59 LEU H A 58 GLY HAx 1.0 1.8 4.2 707 502 A 56 GLU HA A 59 LEU H 1.0 1.8 6.0 708 503 A 59 LEU H A 56 GLU HBx 1.0 1.8 5.0 709 503 A 56 GLU HBy A 59 LEU H 1.0 1.8 5.0 710 504 A 59 LEU HA A 60 ARG H 1.0 1.8 5.0 711 505 A 60 ARG H A 59 LEU HBx 1.0 1.8 4.2 712 505 A 59 LEU HBy A 60 ARG H 1.0 1.8 4.2 713 506 A 60 ARG H A 59 LEU HDx% 1.0 1.8 5.0 714 507 A 59 LEU HDy% A 60 ARG H 1.0 1.8 6.0 715 508 A 59 LEU H A 60 ARG H 1.0 1.8 3.5 716 509 A 60 ARG HA A 61 HIS H 1.0 1.8 3.5 717 510 A 61 HIS H A 60 ARG HBx 1.0 1.8 5.0 718 510 A 60 ARG HBy A 61 HIS H 1.0 1.8 5.0 719 511 A 60 ARG HGy A 61 HIS H 1.0 1.8 5.0 720 511 A 61 HIS H A 60 ARG HGx 1.0 1.8 5.0 721 512 A 61 HIS HA A 62 LEU H 1.0 1.8 3.5 722 513 A 61 HIS HBx A 62 LEU H 1.0 1.8 5.0 723 513 A 62 LEU H A 61 HIS HBy 1.0 1.8 5.0 724 514 A 62 LEU HA A 63 LEU H 1.0 1.8 3.5 725 515 A 63 LEU H A 62 LEU HBx 1.0 1.8 5.0 726 515 A 62 LEU HBy A 63 LEU H 1.0 1.8 5.0 727 516 A 63 LEU H A 62 LEU HG 1.0 1.8 6.0 728 517 A 62 LEU HDx% A 63 LEU H 1.0 1.8 6.0 729 518 A 62 LEU HDy% A 63 LEU H 1.0 1.8 6.0 730 519 A 63 LEU HA A 64 LEU H 1.0 1.8 3.5 731 520 A 63 LEU HBy A 64 LEU H 1.0 1.8 6.0 732 520 A 64 LEU H A 63 LEU HBx 1.0 1.8 6.0 733 521 A 63 LEU HG A 64 LEU H 1.0 1.8 5.0 734 522 A 64 LEU H A 63 LEU HDx% 1.0 1.8 6.0 735 523 A 64 LEU HA A 65 LEU H 1.0 1.8 4.2 736 524 A 65 LEU H A 64 LEU HBx 1.0 1.8 6.0 737 524 A 64 LEU HBy A 65 LEU H 1.0 1.8 6.0 738 525 A 65 LEU H A 64 LEU HG 1.0 1.8 4.2 739 526 A 65 LEU H A 64 LEU HDx% 1.0 1.8 6.0 740 527 A 65 LEU H A 64 LEU HDy% 1.0 1.8 6.0 741 528 A 65 LEU HA A 66 LYS H 1.0 1.8 3.5 742 529 A 66 LYS H A 65 LEU HBx 1.0 1.8 6.0 743 529 A 65 LEU HBy A 66 LYS H 1.0 1.8 6.0 744 530 A 65 LEU HG A 66 LYS H 1.0 1.8 6.0 745 531 A 65 LEU HDx% A 66 LYS H 1.0 1.8 6.0 746 532 A 65 LEU HDy% A 66 LYS H 1.0 1.8 6.0 747 533 A 66 LYS HA A 67 ASN H 1.0 1.8 4.2 748 534 A 66 LYS HBy A 67 ASN H 1.0 1.8 5.0 749 534 A 67 ASN H A 66 LYS HBx 1.0 1.8 5.0 750 535 A 67 ASN H A 66 LYS HGx 1.0 1.8 5.0 751 535 A 66 LYS HGy A 67 ASN H 1.0 1.8 5.0 752 536 A 66 LYS HDy A 67 ASN H 1.0 1.8 6.0 753 536 A 67 ASN H A 66 LYS HDx 1.0 1.8 6.0 754 537 A 67 ASN H A 66 LYS HEx 1.0 1.8 6.0 755 537 A 66 LYS HEy A 67 ASN H 1.0 1.8 6.0 756 538 A 68 LEU HG A 67 ASN H 1.0 1.8 6.0 757 539 A 67 ASN H A 68 LEU HDx% 1.0 1.8 6.0 758 540 A 67 ASN HA A 68 LEU H 1.0 1.8 3.5 759 541 A 67 ASN HBy A 68 LEU H 1.0 1.8 5.0 760 541 A 68 LEU H A 67 ASN HBx 1.0 1.8 5.0 761 542 A 67 ASN H A 68 LEU H 1.0 1.8 4.2 762 543 A 68 LEU HA A 69 ARG H 1.0 1.8 4.2 763 544 A 68 LEU H A 69 ARG H 1.0 1.8 6.0 764 545 A 69 ARG H A 68 LEU HBx 1.0 1.8 5.0 765 545 A 68 LEU HBy A 69 ARG H 1.0 1.8 5.0 766 546 A 68 LEU HG A 69 ARG H 1.0 1.8 6.0 767 547 A 69 ARG H A 68 LEU HDx% 1.0 1.8 6.0 768 548 A 68 LEU HDy% A 69 ARG H 1.0 1.8 6.0 769 549 A 70 PRO HGx A 71 GLN HBx 1.0 1.8 6.0 770 549 A 71 GLN HBy A 70 PRO HGx 1.0 1.8 6.0 771 549 A 70 PRO HGy A 71 GLN HBy 1.0 1.8 6.0 772 549 A 70 PRO HGy A 71 GLN HBx 1.0 1.8 6.0 773 550 A 70 PRO HDx A 71 GLN HBx 1.0 1.8 5.0 774 550 A 70 PRO HDy A 71 GLN HBx 1.0 1.8 5.0 775 550 A 71 GLN HBy A 70 PRO HDx 1.0 1.8 5.0 776 550 A 70 PRO HDy A 71 GLN HBy 1.0 1.8 5.0 777 551 A 71 GLN HBy A 70 PRO HDx 1.0 1.8 4.2 778 551 A 70 PRO HDx A 71 GLN HBx 1.0 1.8 4.2 779 552 A 72 ASP HA A 71 GLN HBx 1.0 1.8 5.0 780 552 A 71 GLN HBy A 72 ASP HA 1.0 1.8 5.0 781 553 A 72 ASP H A 71 GLN HBx 1.0 1.8 6.0 782 553 A 71 GLN HBy A 72 ASP H 1.0 1.8 6.0 783 554 A 71 GLN H A 72 ASP H 1.0 1.8 6.0 784 555 A 71 GLN HA A 72 ASP H 1.0 1.8 6.0 785 556 A 71 GLN HBy A 72 ASP H 1.0 1.8 4.2 786 556 A 72 ASP H A 71 GLN HBx 1.0 1.8 4.2 787 557 A 71 GLN HGy A 72 ASP H 1.0 1.8 5.0 788 557 A 72 ASP H A 71 GLN HGx 1.0 1.8 5.0 789 558 A 72 ASP H A 73 SER H 1.0 1.8 5.0 790 559 A 72 ASP HA A 73 SER H 1.0 1.8 6.0 791 560 A 72 ASP HBx A 73 SER H 1.0 1.8 6.0 792 560 A 73 SER H A 72 ASP HBy 1.0 1.8 6.0 793 561 A 73 SER H A 74 CYS H 1.0 1.8 5.0 794 562 A 75 ARG HA A 74 CYS HBx 1.0 1.8 6.0 795 562 A 74 CYS HBy A 75 ARG HA 1.0 1.8 6.0 796 563 A 73 SER HA A 74 CYS H 1.0 1.8 5.0 797 564 A 73 SER HBy A 74 CYS H 1.0 1.8 6.0 798 564 A 74 CYS H A 73 SER HBx 1.0 1.8 6.0 799 565 A 74 CYS HA A 75 ARG H 1.0 1.8 6.0 800 566 A 75 ARG H A 74 CYS HBx 1.0 1.8 6.0 801 566 A 74 CYS HBy A 75 ARG H 1.0 1.8 6.0 802 567 A 75 ARG HA A 76 VAL H 1.0 1.8 3.5 803 568 A 75 ARG HGy A 76 VAL H 1.0 1.8 6.0 804 568 A 76 VAL H A 75 ARG HGx 1.0 1.8 6.0 805 569 A 76 VAL H A 75 ARG HDx 1.0 1.8 6.0 806 569 A 75 ARG HDy A 76 VAL H 1.0 1.8 6.0 807 570 A 76 VAL HA A 77 THR H 1.0 1.8 3.5 808 571 A 76 VAL HB A 77 THR H 1.0 1.8 6.0 809 572 A 76 VAL HA A 77 THR H 1.0 1.8 6.0 810 573 A 77 THR HA A 78 PHE H 1.0 1.8 3.5 811 574 A 77 THR HB A 78 PHE H 1.0 1.8 6.0 812 575 A 77 THR HG2% A 78 PHE H 1.0 1.8 4.2 813 576 A 78 PHE HA A 79 LEU H 1.0 1.8 3.5 814 577 A 78 PHE HBy A 79 LEU H 1.0 1.8 6.0 815 577 A 79 LEU H A 78 PHE HBx 1.0 1.8 6.0 816 578 A 78 PHE HD% A 79 LEU H 1.0 1.8 6.0 817 579 A 79 LEU HA A 80 ALA H 1.0 1.8 4.2 818 580 A 79 LEU HBy A 80 ALA H 1.0 1.8 6.0 819 580 A 80 ALA H A 79 LEU HBx 1.0 1.8 6.0 820 581 A 79 LEU HG A 80 ALA H 1.0 1.8 6.0 821 582 A 79 LEU HDy% A 80 ALA H 1.0 1.8 5.0 822 583 A 80 ALA HA A 81 GLY H 1.0 1.8 4.2 823 584 A 82 ASP H A 81 GLY HAx 1.0 1.8 4.2 824 584 A 81 GLY HAy A 82 ASP H 1.0 1.8 4.2 825 585 A 82 ASP H A 83 MET H 1.0 1.8 4.2 826 586 A 82 ASP HA A 83 MET H 1.0 1.8 6.0 827 587 A 82 ASP H A 83 MET H 1.0 1.8 5.0 828 588 A 83 MET H A 82 ASP HBx 1.0 1.8 5.0 829 588 A 82 ASP HBy A 83 MET H 1.0 1.8 5.0 830 589 A 84 VAL HGx% A 83 MET H 1.0 1.8 5.0 831 590 A 83 MET HA A 84 VAL H 1.0 1.8 6.0 832 591 A 83 MET HBy A 84 VAL H 1.0 1.8 6.0 833 591 A 84 VAL H A 83 MET HBx 1.0 1.8 6.0 834 592 A 83 MET HGy A 84 VAL H 1.0 1.8 6.0 835 592 A 84 VAL H A 83 MET HGx 1.0 1.8 6.0 836 593 A 84 VAL HA A 85 THR H 1.0 1.8 4.2 837 594 A 84 VAL HGy% A 85 THR H 1.0 1.8 5.0 838 595 A 85 THR HA A 86 SER H 1.0 1.8 4.2 839 596 A 85 THR HB A 86 SER H 1.0 1.8 6.0 840 597 A 85 THR HG2% A 86 SER H 1.0 1.8 6.0 841 598 A 86 SER HA A 87 ALA H 1.0 1.8 3.5 842 599 A 87 ALA H A 86 SER HBx 1.0 1.8 6.0 843 599 A 86 SER HBy A 87 ALA H 1.0 1.8 6.0 844 600 A 87 ALA HA A 88 PHE H 1.0 1.8 3.5 845 601 A 87 ALA HB% A 88 PHE H 1.0 1.8 6.0 846 602 A 88 PHE HA A 89 LEU H 1.0 1.8 4.2 847 603 A 88 PHE HBy A 88 PHE H 1.0 1.8 6.0 848 603 A 88 PHE H A 88 PHE HBx 1.0 1.8 6.0 849 604 A 89 LEU HA A 90 THR H 1.0 1.8 4.2 850 605 A 89 LEU HBy A 90 THR H 1.0 1.8 6.0 851 605 A 90 THR H A 89 LEU HBx 1.0 1.8 6.0 852 606 A 89 LEU HG A 90 THR H 1.0 1.8 6.0 853 607 A 89 LEU HDx% A 90 THR H 1.0 1.8 6.0 854 608 A 90 THR HA A 91 VAL H 1.0 1.8 5.0 855 609 A 90 THR HB A 91 VAL H 1.0 1.8 6.0 856 610 A 90 THR HG2% A 91 VAL H 1.0 1.8 5.0 857 611 A 91 VAL HGx% A 92 ARG H 1.0 1.8 5.0 858 612 A 90 THR HA A 91 VAL HGy% 1.0 1.8 6.0 859 613 A 91 VAL HA A 92 ARG H 1.0 1.8 3.5 860 614 A 91 VAL HB A 92 ARG H 1.0 1.8 6.0 861 615 A 91 VAL HGx% A 92 ARG H 1.0 1.8 5.0 862 616 A 91 VAL HGy% A 92 ARG H 1.0 1.8 6.0 863 617 A 92 ARG HA A 93 GLY H 1.0 1.8 3.5 864 618 A 92 ARG HBy A 93 GLY H 1.0 1.8 6.0 865 618 A 93 GLY H A 92 ARG HBx 1.0 1.8 6.0 866 619 A 92 ARG HGy A 93 GLY H 1.0 1.8 6.0 867 619 A 93 GLY H A 92 ARG HGx 1.0 1.8 6.0 868 620 A 93 GLY H A 92 ARG HDx 1.0 1.8 6.0 869 620 A 92 ARG HDy A 93 GLY H 1.0 1.8 6.0 870 621 A 5 THR HG2% A 7 VAL HGy% 1.0 1.8 5.0 871 622 A 5 THR HB A 3 LYS HGx 1.0 1.8 6.0 872 622 A 3 LYS HGy A 5 THR HB 1.0 1.8 6.0 873 623 A 3 LYS HDy A 5 THR HB 1.0 1.8 5.0 874 623 A 5 THR HB A 3 LYS HDx 1.0 1.8 5.0 875 624 A 5 THR HB A 3 LYS HEy 1.0 1.8 5.0 876 624 A 5 THR HB A 3 LYS HEx 1.0 1.8 5.0 877 625 A 7 VAL H A 9 GLY H 1.0 1.8 6.0 878 626 A 8 ARG H A 6 VAL HGx% 1.0 1.8 4.2 879 627 A 9 GLY H A 6 VAL HGx% 1.0 1.8 5.0 880 628 A 15 ALA HB% A 20 GLU HGx 1.0 1.8 6.0 881 628 A 15 ALA HB% A 20 GLU HGy 1.0 1.8 6.0 882 629 A 16 LEU HA A 19 GLY HAy 1.0 1.8 6.0 883 629 A 16 LEU HA A 19 GLY HAx 1.0 1.8 6.0 884 630 A 16 LEU HA A 19 GLY H 1.0 1.8 6.0 885 631 A 16 LEU HA A 19 GLY H 1.0 1.8 6.0 886 632 A 19 GLY H A 16 LEU HBx 1.0 1.8 6.0 887 632 A 16 LEU HBy A 19 GLY H 1.0 1.8 6.0 888 633 A 17 GLU HA A 19 GLY H 1.0 1.8 6.0 889 634 A 20 GLU H A 16 LEU H 1.0 1.8 6.0 890 635 A 15 ALA HB% A 20 GLU H 1.0 1.8 5.0 891 636 A 22 LEU HDy% A 20 GLU HGx 1.0 1.8 5.0 892 636 A 20 GLU HGy A 22 LEU HDy% 1.0 1.8 5.0 893 637 A 22 LEU HG A 20 GLU HGx 1.0 1.8 4.2 894 637 A 20 GLU HGy A 22 LEU HG 1.0 1.8 4.2 895 638 A 21 ALA HB% A 23 PHE HE% 1.0 1.8 4.2 896 639 A 22 LEU HBy A 24 GLU HGx 1.0 1.8 4.2 897 639 A 22 LEU HBx A 24 GLU HGx 1.0 1.8 4.2 898 639 A 24 GLU HGy A 22 LEU HBx 1.0 1.8 4.2 899 639 A 22 LEU HBy A 24 GLU HGy 1.0 1.8 4.2 900 640 A 29 GLN H A 27 LEU HBx 1.0 1.8 6.0 901 640 A 27 LEU HBy A 29 GLN H 1.0 1.8 6.0 902 641 A 32 VAL H A 34 ALA H 1.0 1.8 6.0 903 642 A 35 HIS HE1 A 32 VAL H 1.0 1.8 6.0 904 643 A 54 PHE HZ A 32 VAL HGx% 1.0 1.8 5.0 905 644 A 32 VAL HA A 32 VAL HGx% 1.0 1.8 4.2 906 645 A 31 GLU HGy A 33 ALA H 1.0 1.8 6.0 907 645 A 33 ALA H A 31 GLU HGx 1.0 1.8 6.0 908 646 A 31 GLU HGy A 33 ALA H 1.0 1.8 6.0 909 646 A 33 ALA H A 31 GLU HGx 1.0 1.8 6.0 910 647 A 33 ALA H A 34 ALA H 1.0 1.8 6.0 911 648 A 35 HIS HE2 A 33 ALA H 1.0 1.8 6.0 912 649 A 36 THR HG2% A 38 LEU HDx% 1.0 1.8 6.0 913 649 A 36 THR HG2% A 38 LEU HDy% 1.0 1.8 6.0 914 650 A 43 PRO HA A 38 LEU HDx% 1.0 1.8 5.0 915 650 A 43 PRO HA A 38 LEU HDy% 1.0 1.8 5.0 916 651 A 39 LEU H A 42 GLU H 1.0 1.8 5.0 917 652 A 42 GLU HBy A 39 LEU H 1.0 1.8 6.0 918 652 A 39 LEU H A 42 GLU HBx 1.0 1.8 6.0 919 653 A 41 ASP HA A 39 LEU H 1.0 1.8 6.0 920 654 A 41 ASP H A 39 LEU H 1.0 1.8 6.0 921 655 A 41 ASP H A 39 LEU H 1.0 1.8 6.0 922 656 A 43 PRO HA A 39 LEU H 1.0 1.8 5.0 923 657 A 39 LEU H A 44 VAL H 1.0 1.8 6.0 924 658 A 39 LEU HDy% A 44 VAL HA 1.0 1.8 6.0 925 659 A 39 LEU HDy% A 44 VAL HGy% 1.0 1.8 6.0 926 660 A 39 LEU HDx% A 44 VAL HA 1.0 1.8 6.0 927 661 A 39 LEU HDy% A 37 TRP HBx 1.0 1.8 6.0 928 661 A 37 TRP HBy A 39 LEU HDy% 1.0 1.8 6.0 929 662 A 40 ASP HBx A 42 GLU HBx 1.0 1.8 6.0 930 662 A 42 GLU HBy A 40 ASP HBx 1.0 1.8 6.0 931 662 A 40 ASP HBy A 42 GLU HBy 1.0 1.8 6.0 932 662 A 40 ASP HBy A 42 GLU HBx 1.0 1.8 6.0 933 663 A 39 LEU HDx% A 41 ASP H 1.0 1.8 6.0 934 664 A 41 ASP H A 42 GLU HBx 1.0 1.8 6.0 935 664 A 41 ASP H A 42 GLU HBy 1.0 1.8 6.0 936 665 A 38 LEU HBy A 42 GLU H 1.0 1.8 6.0 937 665 A 42 GLU H A 38 LEU HBx 1.0 1.8 6.0 938 666 A 42 GLU HA A 38 LEU HDy% 1.0 1.8 5.0 939 667 A 42 GLU HA A 38 LEU HDx% 1.0 1.8 6.0 940 668 A 42 GLU H A 39 LEU HBx 1.0 1.8 5.0 941 668 A 39 LEU HBy A 42 GLU H 1.0 1.8 5.0 942 669 A 39 LEU HDx% A 42 GLU H 1.0 1.8 6.0 943 670 A 40 ASP HBy A 42 GLU H 1.0 1.8 4.2 944 670 A 42 GLU H A 40 ASP HBx 1.0 1.8 4.2 945 671 A 46 THR HB A 42 GLU HBx 1.0 1.8 6.0 946 671 A 42 GLU HBy A 46 THR HB 1.0 1.8 6.0 947 672 A 46 THR HG2% A 42 GLU HBx 1.0 1.8 6.0 948 672 A 42 GLU HBy A 46 THR HG2% 1.0 1.8 6.0 949 673 A 43 PRO HDy A 38 LEU HDy% 1.0 1.8 6.0 950 673 A 38 LEU HDy% A 43 PRO HDx 1.0 1.8 6.0 951 674 A 43 PRO HBy A 38 LEU HDy% 1.0 1.8 5.0 952 674 A 38 LEU HDy% A 43 PRO HBx 1.0 1.8 5.0 953 675 A 43 PRO HGy A 38 LEU HDy% 1.0 1.8 5.0 954 675 A 38 LEU HDy% A 43 PRO HGx 1.0 1.8 5.0 955 676 A 39 LEU H A 44 VAL H 1.0 1.8 6.0 956 677 A 39 LEU HDx% A 44 VAL H 1.0 1.8 6.0 957 678 A 39 LEU HDy% A 44 VAL H 1.0 1.8 5.0 958 679 A 46 THR HG2% A 44 VAL HGx% 1.0 1.8 6.0 959 680 A 50 ALA HA A 47 SER H 1.0 1.8 6.0 960 681 A 50 ALA HB% A 47 SER HBx 1.0 1.8 5.0 961 681 A 47 SER HBy A 50 ALA HB% 1.0 1.8 5.0 962 682 A 50 ALA H A 47 SER H 1.0 1.8 4.2 963 683 A 47 SER H A 49 ASN H 1.0 1.8 6.0 964 684 A 50 ALA HB% A 48 GLU H 1.0 1.8 6.0 965 685 A 48 GLU HA A 50 ALA H 1.0 1.8 5.0 966 686 A 47 SER HBy A 50 ALA H 1.0 1.8 5.0 967 686 A 50 ALA H A 47 SER HBx 1.0 1.8 5.0 968 687 A 53 VAL HB A 55 PHE HE% 1.0 1.8 6.0 969 688 A 53 VAL HGy% A 55 PHE HE% 1.0 1.8 6.0 970 689 A 53 VAL HGy% A 55 PHE HZ 1.0 1.8 6.0 971 690 A 55 PHE H A 58 GLY H 1.0 1.8 5.0 972 691 A 59 LEU H A 55 PHE H 1.0 1.8 6.0 973 692 A 59 LEU HBy A 55 PHE H 1.0 1.8 6.0 974 692 A 55 PHE H A 59 LEU HBx 1.0 1.8 6.0 975 693 A 56 GLU HBy A 59 LEU HBx 1.0 1.8 4.2 976 693 A 56 GLU HBx A 59 LEU HBx 1.0 1.8 4.2 977 693 A 59 LEU HBy A 56 GLU HBx 1.0 1.8 4.2 978 693 A 56 GLU HBy A 59 LEU HBy 1.0 1.8 4.2 979 694 A 56 GLU HBy A 59 LEU HDy% 1.0 1.8 6.0 980 694 A 59 LEU HDy% A 56 GLU HBx 1.0 1.8 6.0 981 695 A 56 GLU HBy A 59 LEU HDx% 1.0 1.8 5.0 982 695 A 56 GLU HBx A 59 LEU HDx% 1.0 1.8 5.0 983 696 A 54 PHE HE% A 58 GLY H 1.0 1.8 5.0 984 697 A 54 PHE HBy A 58 GLY H 1.0 1.8 6.0 985 697 A 58 GLY H A 54 PHE HBx 1.0 1.8 6.0 986 698 A 58 GLY H A 60 ARG H 1.0 1.8 5.0 987 699 A 60 ARG HBy A 58 GLY H 1.0 1.8 6.0 988 699 A 58 GLY H A 60 ARG HBx 1.0 1.8 6.0 989 700 A 59 LEU H A 54 PHE HBx 1.0 1.8 6.0 990 700 A 54 PHE HBy A 59 LEU H 1.0 1.8 6.0 991 701 A 54 PHE HD% A 59 LEU HBx 1.0 1.8 6.0 992 701 A 59 LEU HBy A 54 PHE HD% 1.0 1.8 6.0 993 702 A 60 ARG H A 55 PHE HBx 1.0 1.8 5.0 994 702 A 55 PHE HBy A 60 ARG H 1.0 1.8 5.0 995 703 A 62 LEU HDx% A 60 ARG HDx 1.0 1.8 6.0 996 703 A 60 ARG HDy A 62 LEU HDx% 1.0 1.8 6.0 997 704 A 55 PHE HD% A 60 ARG HDx 1.0 1.8 6.0 998 704 A 60 ARG HDy A 55 PHE HD% 1.0 1.8 6.0 999 705 A 65 LEU HDx% A 63 LEU HDy% 1.0 1.8 4.2 1000 706 A 65 LEU HDy% A 63 LEU HDx% 1.0 1.8 4.2 1001 707 A 69 ARG H A 72 ASP H 1.0 1.8 6.0 1002 708 A 69 ARG H A 73 SER H 1.0 1.8 6.0 1003 709 A 69 ARG HBx A 71 GLN HBx 1.0 1.8 5.0 1004 709 A 69 ARG HBy A 71 GLN HBx 1.0 1.8 5.0 1005 709 A 71 GLN HBy A 69 ARG HBx 1.0 1.8 5.0 1006 709 A 69 ARG HBy A 71 GLN HBy 1.0 1.8 5.0 1007 710 A 69 ARG HGy A 71 GLN HBx 1.0 1.8 4.2 1008 710 A 69 ARG HGx A 71 GLN HBx 1.0 1.8 4.2 1009 710 A 71 GLN HBy A 69 ARG HGx 1.0 1.8 4.2 1010 710 A 69 ARG HGy A 71 GLN HBy 1.0 1.8 4.2 1011 711 A 69 ARG HBy A 72 ASP H 1.0 1.8 4.2 1012 711 A 72 ASP H A 69 ARG HBx 1.0 1.8 4.2 1013 712 A 72 ASP H A 69 ARG HGx 1.0 1.8 5.0 1014 712 A 69 ARG HGy A 72 ASP H 1.0 1.8 5.0 1015 713 A 72 ASP H A 69 ARG HDx 1.0 1.8 6.0 1016 713 A 69 ARG HDy A 72 ASP H 1.0 1.8 6.0 1017 714 A 70 PRO HA A 72 ASP H 1.0 1.8 5.0 1018 715 A 70 PRO HA A 73 SER H 1.0 1.8 6.0 1019 716 A 71 GLN HA A 73 SER H 1.0 1.8 6.0 1020 717 A 76 VAL HGy% A 74 CYS H 1.0 1.8 6.0 1021 718 A 80 ALA H A 83 MET H 1.0 1.8 5.0 1022 719 A 83 MET HBy A 80 ALA H 1.0 1.8 5.0 1023 719 A 80 ALA H A 83 MET HBx 1.0 1.8 5.0 1024 720 A 84 VAL HA A 80 ALA H 1.0 1.8 5.0 1025 721 A 80 ALA H A 81 GLY H 1.0 1.8 6.0 1026 722 A 80 ALA HB% A 78 PHE HD% 1.0 1.8 5.0 1027 723 A 80 ALA HB% A 83 MET H 1.0 1.8 6.0 1028 724 A 79 LEU HG A 81 GLY H 1.0 1.8 5.0 1029 725 A 79 LEU HA A 81 GLY H 1.0 1.8 6.0 1030 726 A 79 LEU HG A 83 MET H 1.0 1.8 6.0 1031 727 A 80 ALA HB% A 83 MET H 1.0 1.8 5.0 1032 728 A 83 MET H A 81 GLY HAx 1.0 1.8 4.2 1033 728 A 81 GLY HAy A 83 MET H 1.0 1.8 4.2 1034 729 A 89 LEU HDy% A 91 VAL H 1.0 1.8 6.0 1035 730 A 89 LEU HDx% A 91 VAL HGy% 1.0 1.8 5.0 1036 731 A 89 LEU HDy% A 91 VAL HGy% 1.0 1.8 5.0 1037 732 A 82 ASP HBy A 4 ASN H 1.0 1.8 6.0 1038 732 A 4 ASN H A 82 ASP HBx 1.0 1.8 6.0 1039 733 A 83 MET HE% A 4 ASN H 1.0 1.8 6.0 1040 734 A 28 SER H A 5 THR H 1.0 1.8 5.0 1041 735 A 29 GLN HGy A 5 THR H 1.0 1.8 5.0 1042 735 A 5 THR H A 29 GLN HGx 1.0 1.8 5.0 1043 736 A 5 THR H A 29 GLN H 1.0 1.8 5.0 1044 737 A 28 SER HBy A 5 THR H 1.0 1.8 5.0 1045 737 A 5 THR H A 28 SER HBx 1.0 1.8 5.0 1046 738 A 28 SER H A 5 THR H 1.0 1.8 5.0 1047 739 A 27 LEU HDy% A 5 THR H 1.0 1.8 5.0 1048 740 A 28 SER HBy A 5 THR H 1.0 1.8 4.2 1049 740 A 5 THR H A 28 SER HBx 1.0 1.8 4.2 1050 741 A 5 THR HB A 28 SER HBy 1.0 1.8 4.2 1051 741 A 5 THR HB A 28 SER HBx 1.0 1.8 4.2 1052 742 A 5 THR HG2% A 28 SER HBx 1.0 1.8 5.0 1053 742 A 5 THR HG2% A 28 SER HBy 1.0 1.8 5.0 1054 743 A 5 THR HG2% A 27 LEU HA 1.0 1.8 6.0 1055 744 A 83 MET HBy A 6 VAL H 1.0 1.8 6.0 1056 744 A 6 VAL H A 83 MET HBx 1.0 1.8 6.0 1057 745 A 6 VAL HA A 27 LEU HA 1.0 1.8 5.0 1058 746 A 27 LEU HBy A 6 VAL HGy% 1.0 1.8 6.0 1059 746 A 6 VAL HGy% A 27 LEU HBx 1.0 1.8 6.0 1060 747 A 6 VAL HGy% A 27 LEU HDy% 1.0 1.8 6.0 1061 748 A 6 VAL HGy% A 27 LEU HDx% 1.0 1.8 6.0 1062 749 A 9 GLY H A 6 VAL HGx% 1.0 1.8 5.0 1063 750 A 6 VAL HB A 83 MET HBy 1.0 1.8 6.0 1064 750 A 6 VAL HB A 83 MET HBx 1.0 1.8 6.0 1065 751 A 6 VAL HA A 28 SER HA 1.0 1.8 6.0 1066 752 A 27 LEU HA A 7 VAL H 1.0 1.8 4.2 1067 753 A 28 SER HBy A 7 VAL H 1.0 1.8 6.0 1068 753 A 7 VAL H A 28 SER HBx 1.0 1.8 6.0 1069 754 A 28 SER H A 7 VAL H 1.0 1.8 5.0 1070 755 A 26 GLN H A 7 VAL H 1.0 1.8 5.0 1071 756 A 26 GLN HBy A 7 VAL H 1.0 1.8 6.0 1072 756 A 7 VAL H A 26 GLN HBx 1.0 1.8 6.0 1073 757 A 26 GLN HBy A 7 VAL HB 1.0 1.8 4.2 1074 757 A 7 VAL HB A 26 GLN HBx 1.0 1.8 4.2 1075 758 A 7 VAL HGx% A 26 GLN HBx 1.0 1.8 6.0 1076 758 A 7 VAL HGx% A 26 GLN HBy 1.0 1.8 6.0 1077 759 A 7 VAL HGy% A 26 GLN HBx 1.0 1.8 6.0 1078 759 A 7 VAL HGy% A 26 GLN HBy 1.0 1.8 6.0 1079 760 A 7 VAL HGx% A 26 GLN HGx 1.0 1.8 6.0 1080 760 A 7 VAL HGx% A 26 GLN HGy 1.0 1.8 6.0 1081 761 A 7 VAL HGy% A 26 GLN HGx 1.0 1.8 6.0 1082 761 A 7 VAL HGy% A 26 GLN HGy 1.0 1.8 6.0 1083 762 A 26 GLN HGy A 7 VAL HB 1.0 1.8 6.0 1084 762 A 7 VAL HB A 26 GLN HGx 1.0 1.8 6.0 1085 763 A 7 VAL HA A 27 LEU HA 1.0 1.8 6.0 1086 764 A 8 ARG H A 26 GLN H 1.0 1.8 4.2 1087 765 A 8 ARG H A 26 GLN HA 1.0 1.8 6.0 1088 766 A 8 ARG H A 26 GLN HBx 1.0 1.8 4.2 1089 766 A 8 ARG H A 26 GLN HBy 1.0 1.8 4.2 1090 767 A 8 ARG H A 25 CYS HA 1.0 1.8 5.0 1091 768 A 8 ARG H A 25 CYS HBx 1.0 1.8 6.0 1092 768 A 8 ARG H A 25 CYS HBy 1.0 1.8 6.0 1093 769 A 8 ARG H A 27 LEU HA 1.0 1.8 6.0 1094 770 A 8 ARG HA A 26 GLN H 1.0 1.8 6.0 1095 771 A 8 ARG HA A 25 CYS HA 1.0 1.8 6.0 1096 772 A 8 ARG HBx A 26 GLN HBx 1.0 1.8 5.0 1097 772 A 26 GLN HBy A 8 ARG HBx 1.0 1.8 5.0 1098 772 A 26 GLN HBy A 8 ARG HBy 1.0 1.8 5.0 1099 772 A 8 ARG HBy A 26 GLN HBx 1.0 1.8 5.0 1100 773 A 8 ARG HGx A 26 GLN HGx 1.0 1.8 5.0 1101 773 A 8 ARG HGy A 26 GLN HGx 1.0 1.8 5.0 1102 773 A 26 GLN HGy A 8 ARG HGy 1.0 1.8 5.0 1103 773 A 26 GLN HGy A 8 ARG HGx 1.0 1.8 5.0 1104 774 A 8 ARG HBx A 26 GLN HGx 1.0 1.8 5.0 1105 774 A 8 ARG HBy A 26 GLN HGx 1.0 1.8 5.0 1106 774 A 26 GLN HGy A 8 ARG HBx 1.0 1.8 5.0 1107 774 A 26 GLN HGy A 8 ARG HBy 1.0 1.8 5.0 1108 775 A 8 ARG HGx A 26 GLN HBx 1.0 1.8 5.0 1109 775 A 8 ARG HGy A 26 GLN HBx 1.0 1.8 5.0 1110 775 A 26 GLN HBy A 8 ARG HGy 1.0 1.8 5.0 1111 775 A 26 GLN HBy A 8 ARG HGx 1.0 1.8 5.0 1112 776 A 8 ARG HDy A 26 GLN HGx 1.0 1.8 5.0 1113 776 A 8 ARG HDx A 26 GLN HGx 1.0 1.8 5.0 1114 776 A 26 GLN HGy A 8 ARG HDx 1.0 1.8 5.0 1115 776 A 26 GLN HGy A 8 ARG HDy 1.0 1.8 5.0 1116 777 A 8 ARG HDx A 24 GLU HGx 1.0 1.8 6.0 1117 777 A 8 ARG HDy A 24 GLU HGx 1.0 1.8 6.0 1118 777 A 24 GLU HGy A 8 ARG HDx 1.0 1.8 6.0 1119 777 A 24 GLU HGy A 8 ARG HDy 1.0 1.8 6.0 1120 778 A 85 THR HB A 8 ARG HGy 1.0 1.8 6.0 1121 779 A 85 THR HB A 8 ARG HGx 1.0 1.8 6.0 1122 780 A 85 THR HG2% A 8 ARG HGy 1.0 1.8 6.0 1123 781 A 85 THR HG2% A 8 ARG HGx 1.0 1.8 6.0 1124 782 A 10 LEU H A 85 THR HB 1.0 1.8 6.0 1125 783 A 10 LEU H A 85 THR HG2% 1.0 1.8 4.2 1126 784 A 10 LEU H A 86 SER H 1.0 1.8 6.0 1127 785 A 10 LEU H A 87 ALA HB% 1.0 1.8 6.0 1128 786 A 10 LEU H A 25 CYS HBx 1.0 1.8 6.0 1129 786 A 10 LEU H A 25 CYS HBy 1.0 1.8 6.0 1130 787 A 10 LEU HA A 25 CYS HA 1.0 1.8 5.0 1131 788 A 85 THR HB A 10 LEU HDy% 1.0 1.8 5.0 1132 788 A 85 THR HB A 10 LEU HDx% 1.0 1.8 5.0 1133 789 A 24 GLU HA A 10 LEU HDx% 1.0 1.8 6.0 1134 789 A 24 GLU HA A 10 LEU HDy% 1.0 1.8 6.0 1135 790 A 23 PHE HD% A 10 LEU HDx% 1.0 1.8 5.0 1136 790 A 10 LEU HDy% A 23 PHE HD% 1.0 1.8 5.0 1137 791 A 78 PHE HE% A 10 LEU HDx% 1.0 1.8 6.0 1138 791 A 10 LEU HDy% A 78 PHE HE% 1.0 1.8 6.0 1139 792 A 37 TRP HH2 A 10 LEU HDx% 1.0 1.8 5.0 1140 792 A 10 LEU HDy% A 37 TRP HH2 1.0 1.8 5.0 1141 793 A 10 LEU HDx% A 78 PHE HBx 1.0 1.8 5.0 1142 793 A 10 LEU HDy% A 78 PHE HBx 1.0 1.8 5.0 1143 793 A 78 PHE HBy A 10 LEU HDx% 1.0 1.8 5.0 1144 793 A 78 PHE HBy A 10 LEU HDy% 1.0 1.8 5.0 1145 794 A 10 LEU HDy% A 76 VAL HGx% 1.0 1.8 5.0 1146 794 A 10 LEU HDx% A 76 VAL HGx% 1.0 1.8 5.0 1147 795 A 87 ALA HB% A 10 LEU HDx% 1.0 1.8 4.2 1148 795 A 87 ALA HB% A 10 LEU HDy% 1.0 1.8 4.2 1149 796 A 23 PHE HBy A 10 LEU HDy% 1.0 1.8 5.0 1150 796 A 10 LEU HDy% A 23 PHE HBx 1.0 1.8 5.0 1151 796 A 10 LEU HDx% A 23 PHE HBx 1.0 1.8 5.0 1152 796 A 23 PHE HBy A 10 LEU HDx% 1.0 1.8 5.0 1153 797 A 11 GLU H A 24 GLU H 1.0 1.8 6.0 1154 798 A 23 PHE HD% A 11 GLU H 1.0 1.8 5.0 1155 799 A 87 ALA HB% A 12 ASN H 1.0 1.8 4.2 1156 800 A 12 ASN H A 88 PHE H 1.0 1.8 6.0 1157 801 A 12 ASN HBy A 88 PHE HD% 1.0 1.8 6.0 1158 801 A 88 PHE HD% A 12 ASN HBx 1.0 1.8 6.0 1159 802 A 12 ASN HBy A 88 PHE HE% 1.0 1.8 6.0 1160 802 A 88 PHE HE% A 12 ASN HBx 1.0 1.8 6.0 1161 803 A 88 PHE HBy A 12 ASN HBx 1.0 1.8 4.2 1162 803 A 12 ASN HBx A 88 PHE HBx 1.0 1.8 4.2 1163 803 A 12 ASN HBy A 88 PHE HBy 1.0 1.8 4.2 1164 803 A 12 ASN HBy A 88 PHE HBx 1.0 1.8 4.2 1165 804 A 23 PHE HE% A 13 VAL H 1.0 1.8 6.0 1166 805 A 23 PHE HZ A 13 VAL H 1.0 1.8 4.2 1167 806 A 88 PHE HBy A 13 VAL H 1.0 1.8 6.0 1168 806 A 13 VAL H A 88 PHE HBx 1.0 1.8 6.0 1169 807 A 13 VAL H A 88 PHE H 1.0 1.8 5.0 1170 808 A 13 VAL H A 90 THR H 1.0 1.8 6.0 1171 809 A 89 LEU HA A 13 VAL H 1.0 1.8 5.0 1172 810 A 21 ALA HB% A 13 VAL HGx% 1.0 1.8 4.2 1173 811 A 21 ALA HB% A 13 VAL HGy% 1.0 1.8 5.0 1174 812 A 13 VAL HGy% A 22 LEU H 1.0 1.8 5.0 1175 813 A 23 PHE HE% A 13 VAL HGy% 1.0 1.8 4.2 1176 814 A 23 PHE HZ A 13 VAL HGy% 1.0 1.8 6.0 1177 815 A 14 GLU HA A 90 THR HB 1.0 1.8 5.0 1178 816 A 15 ALA H A 91 VAL HGy% 1.0 1.8 5.0 1179 817 A 15 ALA H A 91 VAL HA 1.0 1.8 4.2 1180 818 A 15 ALA H A 92 ARG H 1.0 1.8 6.0 1181 819 A 15 ALA H A 91 VAL HA 1.0 1.8 5.0 1182 820 A 15 ALA H A 90 THR H 1.0 1.8 6.0 1183 821 A 15 ALA H A 90 THR HB 1.0 1.8 5.0 1184 822 A 16 LEU HA A 92 ARG H 1.0 1.8 5.0 1185 823 A 91 VAL HGx% A 17 GLU H 1.0 1.8 4.2 1186 824 A 17 GLU H A 92 ARG H 1.0 1.8 4.2 1187 825 A 92 ARG HA A 17 GLU H 1.0 1.8 5.0 1188 826 A 92 ARG HBy A 17 GLU H 1.0 1.8 6.0 1189 826 A 17 GLU H A 92 ARG HBx 1.0 1.8 6.0 1190 827 A 92 ARG HDy A 17 GLU H 1.0 1.8 6.0 1191 827 A 17 GLU H A 92 ARG HDx 1.0 1.8 6.0 1192 828 A 18 GLY H A 68 LEU H 1.0 1.8 4.2 1193 829 A 18 GLY HAx A 68 LEU H 1.0 1.8 5.0 1194 829 A 68 LEU H A 18 GLY HAy 1.0 1.8 5.0 1195 830 A 18 GLY H A 68 LEU HA 1.0 1.8 5.0 1196 831 A 68 LEU HA A 18 GLY HAy 1.0 1.8 5.0 1197 831 A 18 GLY HAx A 68 LEU HA 1.0 1.8 5.0 1198 832 A 18 GLY H A 69 ARG HA 1.0 1.8 5.0 1199 833 A 18 GLY H A 68 LEU HBx 1.0 1.8 5.0 1200 833 A 18 GLY H A 68 LEU HBy 1.0 1.8 5.0 1201 834 A 68 LEU H A 19 GLY HAy 1.0 1.8 6.0 1202 834 A 19 GLY HAx A 68 LEU H 1.0 1.8 6.0 1203 835 A 19 GLY H A 68 LEU H 1.0 1.8 4.2 1204 836 A 68 LEU HA A 19 GLY H 1.0 1.8 5.0 1205 837 A 68 LEU HBy A 19 GLY H 1.0 1.8 5.0 1206 837 A 19 GLY H A 68 LEU HBx 1.0 1.8 5.0 1207 838 A 68 LEU HG A 19 GLY H 1.0 1.8 6.0 1208 839 A 68 LEU HDy% A 19 GLY H 1.0 1.8 6.0 1209 840 A 19 GLY H A 68 LEU HDx% 1.0 1.8 6.0 1210 841 A 67 ASN HA A 19 GLY H 1.0 1.8 6.0 1211 842 A 19 GLY H A 67 ASN H 1.0 1.8 6.0 1212 843 A 20 GLU H A 68 LEU HDx% 1.0 1.8 6.0 1213 843 A 20 GLU H A 68 LEU HDy% 1.0 1.8 6.0 1214 844 A 21 ALA HB% A 89 LEU HDy% 1.0 1.8 4.2 1215 845 A 21 ALA HB% A 89 LEU HDx% 1.0 1.8 4.2 1216 846 A 21 ALA HB% A 13 VAL HGx% 1.0 1.8 4.2 1217 846 A 21 ALA HB% A 13 VAL HGy% 1.0 1.8 4.2 1218 847 A 64 LEU HA A 21 ALA H 1.0 1.8 6.0 1219 848 A 64 LEU HDy% A 21 ALA H 1.0 1.8 6.0 1220 848 A 21 ALA H A 64 LEU HDx% 1.0 1.8 6.0 1221 849 A 65 LEU HDx% A 21 ALA H 1.0 1.8 6.0 1222 850 A 65 LEU HBy A 21 ALA H 1.0 1.8 6.0 1223 850 A 21 ALA H A 65 LEU HBx 1.0 1.8 6.0 1224 851 A 65 LEU H A 21 ALA H 1.0 1.8 5.0 1225 852 A 21 ALA HB% A 65 LEU HDx% 1.0 1.8 4.2 1226 853 A 21 ALA HB% A 65 LEU HG 1.0 1.8 5.0 1227 854 A 68 LEU HDy% A 21 ALA H 1.0 1.8 6.0 1228 854 A 21 ALA H A 68 LEU HDx% 1.0 1.8 6.0 1229 855 A 22 LEU HA A 64 LEU HA 1.0 1.8 4.2 1230 856 A 22 LEU HA A 13 VAL HGy% 1.0 1.8 5.0 1231 857 A 22 LEU HA A 13 VAL HGx% 1.0 1.8 5.0 1232 858 A 62 LEU HA A 23 PHE H 1.0 1.8 5.0 1233 859 A 63 LEU HBy A 23 PHE H 1.0 1.8 6.0 1234 859 A 23 PHE H A 63 LEU HBx 1.0 1.8 6.0 1235 860 A 63 LEU HDy% A 23 PHE H 1.0 1.8 6.0 1236 860 A 23 PHE H A 63 LEU HDx% 1.0 1.8 6.0 1237 861 A 64 LEU HA A 23 PHE H 1.0 1.8 5.0 1238 862 A 23 PHE HBy A 13 VAL HGy% 1.0 1.8 6.0 1239 862 A 13 VAL HGy% A 23 PHE HBx 1.0 1.8 6.0 1240 863 A 37 TRP HZ2 A 23 PHE HBx 1.0 1.8 5.0 1241 863 A 37 TRP HZ3 A 23 PHE HBx 1.0 1.8 5.0 1242 863 A 23 PHE HBy A 37 TRP HZ3 1.0 1.8 5.0 1243 863 A 23 PHE HBy A 37 TRP HZ2 1.0 1.8 5.0 1244 864 A 23 PHE H A 37 TRP HZ3 1.0 1.8 6.0 1245 864 A 37 TRP HZ2 A 23 PHE H 1.0 1.8 6.0 1246 865 A 23 PHE HD% A 76 VAL HGx% 1.0 1.8 4.2 1247 866 A 76 VAL HGy% A 23 PHE HD% 1.0 1.8 4.2 1248 867 A 87 ALA HB% A 23 PHE HD% 1.0 1.8 6.0 1249 868 A 87 ALA HB% A 23 PHE HE% 1.0 1.8 4.2 1250 869 A 24 GLU HBy A 62 LEU HBx 1.0 1.8 6.0 1251 869 A 24 GLU HBx A 62 LEU HBx 1.0 1.8 6.0 1252 869 A 62 LEU HBy A 24 GLU HBx 1.0 1.8 6.0 1253 869 A 24 GLU HBy A 62 LEU HBy 1.0 1.8 6.0 1254 870 A 24 GLU HA A 10 LEU HDy% 1.0 1.8 6.0 1255 871 A 62 LEU HDx% A 24 GLU HGx 1.0 1.8 6.0 1256 871 A 24 GLU HGy A 62 LEU HDx% 1.0 1.8 6.0 1257 872 A 10 LEU HDy% A 24 GLU H 1.0 1.8 6.0 1258 873 A 11 GLU HGy A 24 GLU H 1.0 1.8 6.0 1259 873 A 24 GLU H A 11 GLU HGx 1.0 1.8 6.0 1260 874 A 61 HIS HBx A 25 CYS H 1.0 1.8 5.0 1261 874 A 25 CYS H A 61 HIS HBy 1.0 1.8 5.0 1262 875 A 62 LEU HA A 25 CYS H 1.0 1.8 6.0 1263 876 A 60 ARG HA A 25 CYS H 1.0 1.8 6.0 1264 877 A 25 CYS HBy A 9 GLY HAy 1.0 1.8 6.0 1265 877 A 9 GLY HAy A 25 CYS HBx 1.0 1.8 6.0 1266 878 A 9 GLY HAx A 25 CYS HBy 1.0 1.8 6.0 1267 878 A 9 GLY HAx A 25 CYS HBx 1.0 1.8 6.0 1268 879 A 78 PHE HD% A 25 CYS HBx 1.0 1.8 5.0 1269 879 A 25 CYS HBy A 78 PHE HD% 1.0 1.8 5.0 1270 880 A 25 CYS HBy A 78 PHE HBx 1.0 1.8 6.0 1271 880 A 25 CYS HBx A 78 PHE HBx 1.0 1.8 6.0 1272 880 A 78 PHE HBy A 25 CYS HBx 1.0 1.8 6.0 1273 880 A 25 CYS HBy A 78 PHE HBy 1.0 1.8 6.0 1274 881 A 78 PHE HE% A 25 CYS HBx 1.0 1.8 5.0 1275 881 A 25 CYS HBy A 78 PHE HE% 1.0 1.8 5.0 1276 882 A 37 TRP HH2 A 25 CYS H 1.0 1.8 5.0 1277 883 A 7 VAL HGx% A 26 GLN H 1.0 1.8 6.0 1278 884 A 8 ARG HA A 26 GLN H 1.0 1.8 5.0 1279 885 A 26 GLN H A 8 ARG HBx 1.0 1.8 6.0 1280 885 A 26 GLN H A 8 ARG HBy 1.0 1.8 6.0 1281 886 A 26 GLN H A 8 ARG HGy 1.0 1.8 5.0 1282 886 A 26 GLN H A 8 ARG HGx 1.0 1.8 5.0 1283 887 A 26 GLN H A 8 ARG HDx 1.0 1.8 6.0 1284 887 A 26 GLN H A 8 ARG HDy 1.0 1.8 6.0 1285 888 A 26 GLN HA A 60 ARG HA 1.0 1.8 6.0 1286 889 A 26 GLN HBx A 60 ARG HBx 1.0 1.8 6.0 1287 889 A 26 GLN HBy A 60 ARG HBx 1.0 1.8 6.0 1288 889 A 60 ARG HBy A 26 GLN HBx 1.0 1.8 6.0 1289 889 A 26 GLN HBy A 60 ARG HBy 1.0 1.8 6.0 1290 890 A 26 GLN HGy A 60 ARG HBx 1.0 1.8 6.0 1291 890 A 60 ARG HBy A 26 GLN HGx 1.0 1.8 6.0 1292 890 A 26 GLN HGy A 60 ARG HBy 1.0 1.8 6.0 1293 890 A 26 GLN HGx A 60 ARG HBx 1.0 1.8 6.0 1294 891 A 26 GLN HGx A 60 ARG HDx 1.0 1.8 6.0 1295 891 A 26 GLN HGy A 60 ARG HDx 1.0 1.8 6.0 1296 891 A 60 ARG HDy A 26 GLN HGx 1.0 1.8 6.0 1297 891 A 26 GLN HGy A 60 ARG HDy 1.0 1.8 6.0 1298 892 A 26 GLN HBy A 60 ARG HDx 1.0 1.8 6.0 1299 892 A 26 GLN HBx A 60 ARG HDx 1.0 1.8 6.0 1300 892 A 60 ARG HDy A 26 GLN HBx 1.0 1.8 6.0 1301 892 A 26 GLN HBy A 60 ARG HDy 1.0 1.8 6.0 1302 893 A 26 GLN HGx A 60 ARG HGx 1.0 1.8 6.0 1303 893 A 26 GLN HGy A 60 ARG HGx 1.0 1.8 6.0 1304 893 A 60 ARG HGy A 26 GLN HGx 1.0 1.8 6.0 1305 893 A 26 GLN HGy A 60 ARG HGy 1.0 1.8 6.0 1306 894 A 26 GLN HBx A 60 ARG HGx 1.0 1.8 6.0 1307 894 A 60 ARG HGy A 26 GLN HBx 1.0 1.8 6.0 1308 894 A 26 GLN HBy A 60 ARG HGy 1.0 1.8 6.0 1309 894 A 26 GLN HBy A 60 ARG HGx 1.0 1.8 6.0 1310 895 A 27 LEU H A 60 ARG HA 1.0 1.8 6.0 1311 896 A 27 LEU H A 61 HIS HD1 1.0 1.8 5.0 1312 897 A 27 LEU H A 59 LEU HA 1.0 1.8 6.0 1313 898 A 6 VAL HA A 27 LEU HA 1.0 1.8 5.0 1314 899 A 27 LEU HA A 7 VAL H 1.0 1.8 5.0 1315 900 A 27 LEU HA A 6 VAL HGx% 1.0 1.8 6.0 1316 900 A 27 LEU HA A 6 VAL HGy% 1.0 1.8 6.0 1317 901 A 80 ALA HB% A 27 LEU HDx% 1.0 1.8 5.0 1318 902 A 28 SER HA A 27 LEU HDy% 1.0 1.8 5.0 1319 903 A 6 VAL HA A 28 SER H 1.0 1.8 4.2 1320 904 A 28 SER H A 5 THR H 1.0 1.8 4.2 1321 905 A 5 THR HG2% A 28 SER H 1.0 1.8 6.0 1322 906 A 7 VAL HGy% A 28 SER H 1.0 1.8 6.0 1323 907 A 4 ASN HA A 29 GLN H 1.0 1.8 5.0 1324 908 A 29 GLN H A 4 ASN HBx 1.0 1.8 6.0 1325 908 A 4 ASN HBy A 29 GLN H 1.0 1.8 6.0 1326 909 A 3 LYS HBy A 29 GLN H 1.0 1.8 6.0 1327 909 A 29 GLN H A 3 LYS HBx 1.0 1.8 6.0 1328 910 A 59 LEU HDy% A 29 GLN H 1.0 1.8 6.0 1329 910 A 29 GLN H A 59 LEU HDx% 1.0 1.8 6.0 1330 911 A 31 GLU H A 27 LEU HDx% 1.0 1.8 6.0 1331 911 A 31 GLU H A 27 LEU HDy% 1.0 1.8 6.0 1332 912 A 80 ALA HA A 35 HIS HBx 1.0 1.8 5.0 1333 912 A 35 HIS HBy A 80 ALA HA 1.0 1.8 5.0 1334 913 A 78 PHE HZ A 35 HIS HBx 1.0 1.8 5.0 1335 913 A 35 HIS HBy A 78 PHE HZ 1.0 1.8 5.0 1336 914 A 36 THR H A 80 ALA HA 1.0 1.8 5.0 1337 915 A 79 LEU HBy A 36 THR HB 1.0 1.8 5.0 1338 915 A 36 THR HB A 79 LEU HBx 1.0 1.8 5.0 1339 916 A 79 LEU HDy% A 36 THR HB 1.0 1.8 5.0 1340 917 A 36 THR H A 79 LEU H 1.0 1.8 5.0 1341 918 A 36 THR H A 78 PHE HE% 1.0 1.8 6.0 1342 919 A 36 THR H A 79 LEU HDy% 1.0 1.8 5.0 1343 920 A 36 THR H A 79 LEU HDx% 1.0 1.8 5.0 1344 921 A 37 TRP HA A 78 PHE HA 1.0 1.8 5.0 1345 922 A 37 TRP HA A 79 LEU H 1.0 1.8 6.0 1346 923 A 44 VAL HGy% A 37 TRP H 1.0 1.8 6.0 1347 923 A 37 TRP H A 44 VAL HGx% 1.0 1.8 6.0 1348 924 A 37 TRP H A 44 VAL H 1.0 1.8 6.0 1349 925 A 52 VAL HGy% A 37 TRP H 1.0 1.8 6.0 1350 925 A 37 TRP H A 52 VAL HGx% 1.0 1.8 6.0 1351 926 A 78 PHE HA A 38 LEU H 1.0 1.8 6.0 1352 927 A 77 THR H A 38 LEU H 1.0 1.8 5.0 1353 928 A 77 THR HG2% A 38 LEU H 1.0 1.8 6.0 1354 929 A 38 LEU HA A 43 PRO HA 1.0 1.8 4.2 1355 930 A 43 PRO HA A 38 LEU HDy% 1.0 1.8 4.2 1356 931 A 43 PRO HBy A 38 LEU HDy% 1.0 1.8 4.2 1357 931 A 38 LEU HDy% A 43 PRO HBx 1.0 1.8 4.2 1358 932 A 38 LEU HBy A 77 THR HB 1.0 1.8 6.0 1359 932 A 77 THR HB A 38 LEU HBx 1.0 1.8 6.0 1360 933 A 78 PHE HA A 38 LEU HBx 1.0 1.8 6.0 1361 933 A 38 LEU HBy A 78 PHE HA 1.0 1.8 6.0 1362 934 A 39 LEU HA A 76 VAL HA 1.0 1.8 5.0 1363 935 A 39 LEU HA A 76 VAL HGx% 1.0 1.8 5.0 1364 936 A 39 LEU HA A 76 VAL HGy% 1.0 1.8 5.0 1365 937 A 39 LEU HA A 77 THR H 1.0 1.8 6.0 1366 938 A 39 LEU HDy% A 63 LEU HDx% 1.0 1.8 4.2 1367 939 A 39 LEU HDy% A 52 VAL HGy% 1.0 1.8 4.2 1368 940 A 39 LEU HDx% A 63 LEU HDx% 1.0 1.8 6.0 1369 941 A 39 LEU HDx% A 52 VAL HGy% 1.0 1.8 6.0 1370 942 A 74 CYS HBy A 40 ASP H 1.0 1.8 6.0 1371 942 A 40 ASP H A 74 CYS HBx 1.0 1.8 6.0 1372 943 A 40 ASP H A 75 ARG H 1.0 1.8 6.0 1373 944 A 75 ARG HBy A 40 ASP H 1.0 1.8 6.0 1374 944 A 40 ASP H A 75 ARG HBx 1.0 1.8 6.0 1375 945 A 40 ASP HA A 75 ARG HBx 1.0 1.8 6.0 1376 945 A 40 ASP HA A 75 ARG HBy 1.0 1.8 6.0 1377 946 A 40 ASP HA A 75 ARG HGx 1.0 1.8 6.0 1378 946 A 40 ASP HA A 75 ARG HGy 1.0 1.8 6.0 1379 947 A 40 ASP HA A 75 ARG HDx 1.0 1.8 6.0 1380 947 A 40 ASP HA A 75 ARG HDy 1.0 1.8 6.0 1381 948 A 76 VAL HA A 40 ASP H 1.0 1.8 5.0 1382 949 A 76 VAL HGy% A 40 ASP H 1.0 1.8 6.0 1383 950 A 40 ASP HBx A 71 GLN HGx 1.0 1.8 6.0 1384 950 A 40 ASP HBy A 71 GLN HGx 1.0 1.8 6.0 1385 950 A 71 GLN HGy A 40 ASP HBx 1.0 1.8 6.0 1386 950 A 40 ASP HBy A 71 GLN HGy 1.0 1.8 6.0 1387 951 A 72 ASP HA A 40 ASP HBx 1.0 1.8 5.0 1388 951 A 40 ASP HBy A 72 ASP HA 1.0 1.8 5.0 1389 952 A 40 ASP HBx A 72 ASP HBy 1.0 1.8 6.0 1390 952 A 40 ASP HBy A 72 ASP HBy 1.0 1.8 6.0 1391 952 A 72 ASP HBx A 40 ASP HBx 1.0 1.8 6.0 1392 952 A 40 ASP HBy A 72 ASP HBx 1.0 1.8 6.0 1393 953 A 40 ASP HBy A 74 CYS HBx 1.0 1.8 6.0 1394 953 A 40 ASP HBx A 74 CYS HBx 1.0 1.8 6.0 1395 953 A 74 CYS HBy A 40 ASP HBx 1.0 1.8 6.0 1396 953 A 40 ASP HBy A 74 CYS HBy 1.0 1.8 6.0 1397 954 A 52 VAL HGy% A 44 VAL H 1.0 1.8 6.0 1398 955 A 38 LEU HA A 44 VAL H 1.0 1.8 6.0 1399 956 A 44 VAL H A 38 LEU HDx% 1.0 1.8 6.4 1400 956 A 38 LEU HDy% A 44 VAL H 1.0 1.8 6.4 1401 957 A 44 VAL H A 37 TRP HBx 1.0 1.8 5.0 1402 957 A 37 TRP HBy A 44 VAL H 1.0 1.8 5.0 1403 958 A 44 VAL HA A 37 TRP HBx 1.0 1.8 6.0 1404 958 A 37 TRP HBy A 44 VAL HA 1.0 1.8 6.0 1405 959 A 37 TRP HBy A 44 VAL HGy% 1.0 1.8 5.0 1406 959 A 44 VAL HGy% A 37 TRP HBx 1.0 1.8 5.0 1407 960 A 37 TRP HD1 A 44 VAL HGx% 1.0 1.8 5.0 1408 960 A 44 VAL HGy% A 37 TRP HD1 1.0 1.8 5.0 1409 961 A 39 LEU HDx% A 44 VAL HGy% 1.0 1.8 4.2 1410 962 A 39 LEU HDy% A 44 VAL HGy% 1.0 1.8 5.0 1411 963 A 39 LEU HDy% A 44 VAL HGx% 1.0 1.8 5.0 1412 964 A 46 THR HG2% A 44 VAL HGy% 1.0 1.8 6.0 1413 965 A 65 LEU HDy% A 44 VAL HGy% 1.0 1.8 5.0 1414 966 A 45 ARG H A 50 ALA HB% 1.0 1.8 6.0 1415 967 A 52 VAL HGy% A 46 THR H 1.0 1.8 6.0 1416 968 A 66 LYS HEy A 49 ASN H 1.0 1.8 6.0 1417 968 A 49 ASN H A 66 LYS HEx 1.0 1.8 6.0 1418 969 A 49 ASN HA A 66 LYS HBx 1.0 1.8 4.2 1419 969 A 49 ASN HA A 66 LYS HBy 1.0 1.8 4.2 1420 970 A 49 ASN HA A 66 LYS HGx 1.0 1.8 6.0 1421 970 A 49 ASN HA A 66 LYS HGy 1.0 1.8 6.0 1422 971 A 49 ASN HA A 66 LYS HDx 1.0 1.8 5.0 1423 971 A 49 ASN HA A 66 LYS HDy 1.0 1.8 5.0 1424 972 A 49 ASN HA A 66 LYS HEx 1.0 1.8 5.0 1425 972 A 49 ASN HA A 66 LYS HEy 1.0 1.8 5.0 1426 973 A 50 ALA HA A 65 LEU HA 1.0 1.8 4.2 1427 974 A 50 ALA HB% A 65 LEU HDy% 1.0 1.8 5.0 1428 975 A 50 ALA HB% A 66 LYS H 1.0 1.8 6.0 1429 976 A 50 ALA HA A 65 LEU HDy% 1.0 1.8 6.0 1430 977 A 65 LEU HA A 51 GLU H 1.0 1.8 6.0 1431 978 A 65 LEU HDy% A 51 GLU H 1.0 1.8 6.0 1432 979 A 51 GLU H A 64 LEU H 1.0 1.8 5.0 1433 980 A 51 GLU HBy A 64 LEU HBx 1.0 1.8 5.0 1434 980 A 51 GLU HBx A 64 LEU HBx 1.0 1.8 5.0 1435 980 A 64 LEU HBy A 51 GLU HBx 1.0 1.8 5.0 1436 980 A 51 GLU HBy A 64 LEU HBy 1.0 1.8 5.0 1437 981 A 64 LEU HBy A 51 GLU H 1.0 1.8 5.0 1438 981 A 51 GLU H A 64 LEU HBx 1.0 1.8 5.0 1439 982 A 64 LEU HDy% A 51 GLU H 1.0 1.8 6.0 1440 983 A 63 LEU HA A 51 GLU H 1.0 1.8 6.0 1441 984 A 51 GLU H A 63 LEU HDx% 1.0 1.8 5.0 1442 985 A 45 ARG HA A 51 GLU HBx 1.0 1.8 5.0 1443 985 A 45 ARG HA A 51 GLU HBy 1.0 1.8 5.0 1444 986 A 45 ARG HA A 51 GLU HGx 1.0 1.8 5.0 1445 986 A 45 ARG HA A 51 GLU HGy 1.0 1.8 5.0 1446 987 A 52 VAL HA A 63 LEU HA 1.0 1.8 4.2 1447 988 A 46 THR HG2% A 52 VAL H 1.0 1.8 6.0 1448 989 A 52 VAL H A 45 ARG HBx 1.0 1.8 5.0 1449 989 A 45 ARG HBy A 52 VAL H 1.0 1.8 5.0 1450 990 A 45 ARG HDx A 52 VAL H 1.0 1.8 5.0 1451 990 A 52 VAL H A 45 ARG HDy 1.0 1.8 5.0 1452 991 A 53 VAL HGx% A 62 LEU HDx% 1.0 1.8 6.0 1453 992 A 53 VAL HGx% A 62 LEU HDy% 1.0 1.8 6.0 1454 993 A 53 VAL HGy% A 62 LEU HDx% 1.0 1.8 5.0 1455 994 A 53 VAL HGy% A 62 LEU HDy% 1.0 1.8 5.0 1456 995 A 53 VAL HGx% A 64 LEU HDy% 1.0 1.8 6.0 1457 996 A 53 VAL H A 62 LEU H 1.0 1.8 6.0 1458 997 A 62 LEU HBy A 53 VAL H 1.0 1.8 5.0 1459 997 A 53 VAL H A 62 LEU HBx 1.0 1.8 5.0 1460 998 A 63 LEU HA A 53 VAL H 1.0 1.8 6.0 1461 999 A 54 PHE HBy A 61 HIS HBy 1.0 1.8 6.0 1462 999 A 54 PHE HBx A 61 HIS HBy 1.0 1.8 6.0 1463 999 A 61 HIS HBx A 54 PHE HBx 1.0 1.8 6.0 1464 999 A 54 PHE HBy A 61 HIS HBx 1.0 1.8 6.0 1465 1000 A 61 HIS HA A 55 PHE H 1.0 1.8 6.0 1466 1001 A 55 PHE H A 60 ARG H 1.0 1.8 5.0 1467 1002 A 55 PHE HBy A 60 ARG HBx 1.0 1.8 6.0 1468 1002 A 55 PHE HBx A 60 ARG HBx 1.0 1.8 6.0 1469 1002 A 60 ARG HBy A 55 PHE HBx 1.0 1.8 6.0 1470 1002 A 55 PHE HBy A 60 ARG HBy 1.0 1.8 6.0 1471 1003 A 55 PHE HBx A 60 ARG HDx 1.0 1.8 6.0 1472 1003 A 60 ARG HDy A 55 PHE HBx 1.0 1.8 6.0 1473 1003 A 55 PHE HBy A 60 ARG HDy 1.0 1.8 6.0 1474 1003 A 55 PHE HBy A 60 ARG HDx 1.0 1.8 6.0 1475 1004 A 60 ARG HBy A 55 PHE H 1.0 1.8 5.0 1476 1004 A 55 PHE H A 60 ARG HBx 1.0 1.8 5.0 1477 1005 A 60 ARG HDy A 55 PHE H 1.0 1.8 6.0 1478 1005 A 55 PHE H A 60 ARG HDx 1.0 1.8 6.0 1479 1006 A 60 ARG HGy A 55 PHE H 1.0 1.8 6.0 1480 1006 A 55 PHE H A 60 ARG HGx 1.0 1.8 6.0 1481 1007 A 59 LEU H A 30 PRO HBx 1.0 1.8 6.0 1482 1007 A 30 PRO HBy A 59 LEU H 1.0 1.8 6.0 1483 1008 A 30 PRO HBy A 59 LEU HBx 1.0 1.8 6.0 1484 1008 A 30 PRO HBx A 59 LEU HBx 1.0 1.8 6.0 1485 1008 A 59 LEU HBy A 30 PRO HBx 1.0 1.8 6.0 1486 1008 A 30 PRO HBy A 59 LEU HBy 1.0 1.8 6.0 1487 1009 A 30 PRO HA A 59 LEU HDx% 1.0 1.8 5.0 1488 1010 A 30 PRO HBy A 59 LEU HDx% 1.0 1.8 5.0 1489 1010 A 30 PRO HBx A 59 LEU HDx% 1.0 1.8 5.0 1490 1011 A 30 PRO HGy A 59 LEU HDx% 1.0 1.8 5.0 1491 1011 A 30 PRO HGx A 59 LEU HDx% 1.0 1.8 5.0 1492 1012 A 30 PRO HDx A 59 LEU HDx% 1.0 1.8 5.0 1493 1012 A 30 PRO HDy A 59 LEU HDx% 1.0 1.8 5.0 1494 1013 A 26 GLN HA A 60 ARG HA 1.0 1.8 4.2 1495 1014 A 60 ARG HA A 61 HIS HD2 1.0 1.8 6.0 1496 1015 A 54 PHE HA A 60 ARG HBx 1.0 1.8 6.0 1497 1015 A 54 PHE HA A 60 ARG HBy 1.0 1.8 6.0 1498 1016 A 62 LEU HDx% A 60 ARG HBx 1.0 1.8 5.0 1499 1016 A 60 ARG HBy A 62 LEU HDx% 1.0 1.8 5.0 1500 1017 A 26 GLN HGy A 60 ARG HBx 1.0 1.8 6.0 1501 1017 A 60 ARG HBy A 26 GLN HGx 1.0 1.8 6.0 1502 1017 A 26 GLN HGy A 60 ARG HBy 1.0 1.8 6.0 1503 1017 A 26 GLN HGx A 60 ARG HBx 1.0 1.8 6.0 1504 1018 A 26 GLN HBx A 60 ARG HGx 1.0 1.8 6.0 1505 1018 A 60 ARG HGy A 26 GLN HBx 1.0 1.8 6.0 1506 1018 A 26 GLN HBy A 60 ARG HGy 1.0 1.8 6.0 1507 1018 A 26 GLN HBy A 60 ARG HGx 1.0 1.8 6.0 1508 1019 A 24 GLU HGx A 60 ARG HDx 1.0 1.8 6.0 1509 1019 A 24 GLU HGy A 60 ARG HDx 1.0 1.8 6.0 1510 1019 A 60 ARG HDy A 24 GLU HGx 1.0 1.8 6.0 1511 1019 A 24 GLU HGy A 60 ARG HDy 1.0 1.8 6.0 1512 1020 A 56 GLU HBy A 60 ARG HDx 1.0 1.8 6.0 1513 1020 A 56 GLU HBx A 60 ARG HDx 1.0 1.8 6.0 1514 1020 A 60 ARG HDy A 56 GLU HBx 1.0 1.8 6.0 1515 1020 A 56 GLU HBy A 60 ARG HDy 1.0 1.8 6.0 1516 1021 A 56 GLU HGy A 60 ARG HDx 1.0 1.8 6.0 1517 1021 A 56 GLU HGx A 60 ARG HDx 1.0 1.8 6.0 1518 1021 A 60 ARG HDy A 56 GLU HGx 1.0 1.8 6.0 1519 1021 A 60 ARG HDy A 56 GLU HGy 1.0 1.8 6.0 1520 1022 A 56 GLU HBx A 60 ARG HGx 1.0 1.8 6.0 1521 1022 A 56 GLU HBy A 60 ARG HGx 1.0 1.8 6.0 1522 1022 A 60 ARG HGy A 56 GLU HBx 1.0 1.8 6.0 1523 1022 A 56 GLU HBy A 60 ARG HGy 1.0 1.8 6.0 1524 1023 A 24 GLU HGx A 60 ARG HGx 1.0 1.8 6.0 1525 1023 A 24 GLU HGy A 60 ARG HGx 1.0 1.8 6.0 1526 1023 A 60 ARG HGy A 24 GLU HGx 1.0 1.8 6.0 1527 1023 A 24 GLU HGy A 60 ARG HGy 1.0 1.8 6.0 1528 1024 A 26 GLN HGx A 60 ARG HGx 1.0 1.8 6.0 1529 1024 A 26 GLN HGy A 60 ARG HGx 1.0 1.8 6.0 1530 1024 A 60 ARG HGy A 26 GLN HGx 1.0 1.8 6.0 1531 1024 A 26 GLN HGy A 60 ARG HGy 1.0 1.8 6.0 1532 1025 A 24 GLU HGx A 60 ARG HBx 1.0 1.8 6.0 1533 1025 A 24 GLU HGy A 60 ARG HBx 1.0 1.8 6.0 1534 1025 A 60 ARG HBy A 24 GLU HGx 1.0 1.8 6.0 1535 1025 A 24 GLU HGy A 60 ARG HBy 1.0 1.8 6.0 1536 1026 A 26 GLN HA A 61 HIS H 1.0 1.8 5.0 1537 1027 A 25 CYS H A 61 HIS H 1.0 1.8 5.0 1538 1028 A 61 HIS H A 25 CYS HBx 1.0 1.8 5.0 1539 1028 A 25 CYS HBy A 61 HIS H 1.0 1.8 5.0 1540 1029 A 54 PHE HBy A 61 HIS HBy 1.0 1.8 6.0 1541 1029 A 54 PHE HBx A 61 HIS HBy 1.0 1.8 6.0 1542 1029 A 61 HIS HBx A 54 PHE HBx 1.0 1.8 6.0 1543 1029 A 54 PHE HBy A 61 HIS HBx 1.0 1.8 6.0 1544 1030 A 25 CYS HBy A 61 HIS HBy 1.0 1.8 6.0 1545 1030 A 25 CYS HBx A 61 HIS HBy 1.0 1.8 6.0 1546 1030 A 61 HIS HBx A 25 CYS HBx 1.0 1.8 6.0 1547 1030 A 25 CYS HBy A 61 HIS HBx 1.0 1.8 6.0 1548 1031 A 54 PHE HA A 61 HIS HA 1.0 1.8 4.2 1549 1032 A 78 PHE HE% A 61 HIS HBy 1.0 1.8 6.0 1550 1032 A 61 HIS HBx A 78 PHE HE% 1.0 1.8 6.0 1551 1033 A 78 PHE HZ A 61 HIS HBy 1.0 1.8 6.0 1552 1033 A 61 HIS HBx A 78 PHE HZ 1.0 1.8 6.0 1553 1034 A 61 HIS H A 24 GLU HGx 1.0 1.8 6.0 1554 1034 A 24 GLU HGy A 61 HIS H 1.0 1.8 6.0 1555 1035 A 61 HIS H A 27 LEU HDx% 1.0 1.8 6.0 1556 1036 A 54 PHE HA A 62 LEU H 1.0 1.8 5.0 1557 1037 A 53 VAL HGy% A 62 LEU H 1.0 1.8 4.2 1558 1038 A 53 VAL H A 62 LEU H 1.0 1.8 6.0 1559 1039 A 24 GLU HA A 62 LEU HA 1.0 1.8 4.2 1560 1040 A 55 PHE HZ A 62 LEU HBx 1.0 1.8 6.0 1561 1040 A 62 LEU HBy A 55 PHE HZ 1.0 1.8 6.0 1562 1041 A 54 PHE HA A 62 LEU HDx% 1.0 1.8 6.0 1563 1042 A 62 LEU HDx% A 55 PHE HE% 1.0 1.8 4.2 1564 1043 A 62 LEU HDy% A 55 PHE HZ 1.0 1.8 5.0 1565 1044 A 24 GLU HA A 63 LEU H 1.0 1.8 5.0 1566 1045 A 63 LEU H A 23 PHE H 1.0 1.8 5.0 1567 1046 A 63 LEU H A 23 PHE HBx 1.0 1.8 5.0 1568 1046 A 23 PHE HBy A 63 LEU H 1.0 1.8 5.0 1569 1047 A 63 LEU HDy% A 37 TRP HE1 1.0 1.8 5.0 1570 1047 A 63 LEU HDy% A 37 TRP HE3 1.0 1.8 5.0 1571 1048 A 63 LEU HDy% A 37 TRP HZ2 1.0 1.8 5.0 1572 1048 A 63 LEU HDy% A 37 TRP HZ3 1.0 1.8 5.0 1573 1049 A 37 TRP HBy A 63 LEU HDx% 1.0 1.8 6.0 1574 1049 A 37 TRP HBx A 63 LEU HDx% 1.0 1.8 6.0 1575 1050 A 52 VAL HB A 63 LEU HDx% 1.0 1.8 6.0 1576 1051 A 52 VAL HGy% A 63 LEU HDx% 1.0 1.8 3.5 1577 1052 A 23 PHE HE% A 63 LEU HDy% 1.0 1.8 6.0 1578 1053 A 63 LEU HDy% A 44 VAL HGy% 1.0 1.8 4.2 1579 1054 A 44 VAL HGy% A 63 LEU HDx% 1.0 1.8 4.2 1580 1055 A 52 VAL HA A 64 LEU H 1.0 1.8 5.0 1581 1056 A 64 LEU H A 51 GLU HBx 1.0 1.8 6.0 1582 1056 A 51 GLU HBy A 64 LEU H 1.0 1.8 6.0 1583 1057 A 52 VAL HGy% A 64 LEU H 1.0 1.8 6.0 1584 1058 A 53 VAL HGx% A 64 LEU H 1.0 1.8 6.0 1585 1059 A 50 ALA HB% A 64 LEU H 1.0 1.8 6.0 1586 1060 A 22 LEU HA A 65 LEU H 1.0 1.8 5.0 1587 1061 A 65 LEU H A 21 ALA H 1.0 1.8 5.0 1588 1062 A 65 LEU HDx% A 76 VAL HGy% 1.0 1.8 5.0 1589 1063 A 65 LEU HDx% A 23 PHE HE% 1.0 1.8 6.0 1590 1064 A 39 LEU HDy% A 65 LEU HDx% 1.0 1.8 5.0 1591 1065 A 39 LEU HDx% A 65 LEU HDx% 1.0 1.8 5.0 1592 1066 A 21 ALA HB% A 65 LEU H 1.0 1.8 5.0 1593 1067 A 20 GLU HA A 65 LEU H 1.0 1.8 6.0 1594 1068 A 65 LEU H A 20 GLU HGx 1.0 1.8 6.0 1595 1068 A 65 LEU H A 20 GLU HGy 1.0 1.8 6.0 1596 1069 A 50 ALA HA A 66 LYS H 1.0 1.8 5.0 1597 1070 A 20 GLU HGy A 66 LYS HGx 1.0 1.8 5.0 1598 1070 A 20 GLU HGx A 66 LYS HGx 1.0 1.8 5.0 1599 1070 A 66 LYS HGy A 20 GLU HGx 1.0 1.8 5.0 1600 1070 A 66 LYS HGy A 20 GLU HGy 1.0 1.8 5.0 1601 1071 A 49 ASN HBy A 66 LYS HGx 1.0 1.8 6.0 1602 1071 A 49 ASN HBx A 66 LYS HGx 1.0 1.8 6.0 1603 1071 A 66 LYS HGy A 49 ASN HBy 1.0 1.8 6.0 1604 1071 A 49 ASN HBx A 66 LYS HGy 1.0 1.8 6.0 1605 1072 A 49 ASN HBy A 66 LYS HGx 1.0 1.8 6.0 1606 1072 A 49 ASN HBx A 66 LYS HGx 1.0 1.8 6.0 1607 1072 A 66 LYS HGy A 49 ASN HBy 1.0 1.8 6.0 1608 1072 A 49 ASN HBx A 66 LYS HGy 1.0 1.8 6.0 1609 1073 A 49 ASN HA A 66 LYS H 1.0 1.8 5.0 1610 1074 A 49 ASN HBx A 66 LYS H 1.0 1.8 5.0 1611 1074 A 66 LYS H A 49 ASN HBy 1.0 1.8 5.0 1612 1075 A 50 ALA HB% A 66 LYS H 1.0 1.8 5.0 1613 1076 A 20 GLU HA A 67 ASN H 1.0 1.8 6.0 1614 1077 A 20 GLU HA A 67 ASN H 1.0 1.8 5.0 1615 1078 A 18 GLY HAx A 67 ASN H 1.0 1.8 6.0 1616 1078 A 67 ASN H A 18 GLY HAy 1.0 1.8 6.0 1617 1079 A 19 GLY HAx A 67 ASN H 1.0 1.8 6.0 1618 1079 A 67 ASN H A 19 GLY HAy 1.0 1.8 6.0 1619 1080 A 15 ALA HB% A 68 LEU H 1.0 1.8 6.0 1620 1081 A 18 GLY HAx A 68 LEU H 1.0 1.8 5.0 1621 1081 A 68 LEU H A 18 GLY HAy 1.0 1.8 5.0 1622 1082 A 19 GLY HAx A 68 LEU H 1.0 1.8 6.0 1623 1082 A 68 LEU H A 19 GLY HAy 1.0 1.8 6.0 1624 1083 A 91 VAL HGx% A 68 LEU H 1.0 1.8 6.0 1625 1084 A 91 VAL HGx% A 69 ARG H 1.0 1.8 6.0 1626 1085 A 91 VAL HGx% A 70 PRO HA 1.0 1.8 5.0 1627 1086 A 91 VAL HGx% A 70 PRO HBx 1.0 1.8 6.0 1628 1086 A 91 VAL HGx% A 70 PRO HBy 1.0 1.8 6.0 1629 1087 A 91 VAL HB A 72 ASP H 1.0 1.8 6.0 1630 1088 A 91 VAL HGx% A 72 ASP H 1.0 1.8 6.0 1631 1089 A 91 VAL HGy% A 72 ASP H 1.0 1.8 6.0 1632 1090 A 73 SER HA A 91 VAL HGy% 1.0 1.8 6.0 1633 1091 A 91 VAL HGy% A 73 SER H 1.0 1.8 6.0 1634 1092 A 74 CYS H A 89 LEU H 1.0 1.8 5.0 1635 1093 A 40 ASP HBy A 74 CYS HBx 1.0 1.8 6.0 1636 1093 A 40 ASP HBx A 74 CYS HBx 1.0 1.8 6.0 1637 1093 A 74 CYS HBy A 40 ASP HBx 1.0 1.8 6.0 1638 1093 A 40 ASP HBy A 74 CYS HBy 1.0 1.8 6.0 1639 1094 A 90 THR HA A 74 CYS H 1.0 1.8 6.0 1640 1095 A 89 LEU HBy A 74 CYS H 1.0 1.8 5.0 1641 1095 A 74 CYS H A 89 LEU HBx 1.0 1.8 5.0 1642 1096 A 89 LEU HDy% A 74 CYS H 1.0 1.8 5.0 1643 1097 A 74 CYS H A 91 VAL H 1.0 1.8 6.0 1644 1098 A 88 PHE HE% A 75 ARG HDx 1.0 1.8 6.0 1645 1098 A 75 ARG HDy A 88 PHE HE% 1.0 1.8 6.0 1646 1099 A 75 ARG HA A 88 PHE HA 1.0 1.8 4.2 1647 1100 A 75 ARG H A 40 ASP HBx 1.0 1.8 6.0 1648 1100 A 40 ASP HBy A 75 ARG H 1.0 1.8 6.0 1649 1101 A 40 ASP HA A 75 ARG H 1.0 1.8 6.0 1650 1102 A 88 PHE HA A 76 VAL H 1.0 1.8 5.0 1651 1103 A 76 VAL H A 87 ALA H 1.0 1.8 5.0 1652 1104 A 23 PHE HE% A 76 VAL HGx% 1.0 1.8 4.2 1653 1105 A 23 PHE HBy A 76 VAL HGx% 1.0 1.8 5.0 1654 1105 A 23 PHE HBx A 76 VAL HGx% 1.0 1.8 5.0 1655 1106 A 23 PHE HD% A 76 VAL HGx% 1.0 1.8 5.0 1656 1107 A 39 LEU HA A 76 VAL HA 1.0 1.8 5.0 1657 1108 A 39 LEU HDy% A 76 VAL HGy% 1.0 1.8 4.2 1658 1109 A 10 LEU HDy% A 76 VAL HGx% 1.0 1.8 4.2 1659 1110 A 87 ALA H A 76 VAL HGx% 1.0 1.8 5.0 1660 1111 A 87 ALA HB% A 76 VAL HGx% 1.0 1.8 5.0 1661 1112 A 76 VAL HGy% A 87 ALA HB% 1.0 1.8 5.0 1662 1113 A 86 SER HA A 76 VAL H 1.0 1.8 6.0 1663 1114 A 37 TRP HA A 77 THR H 1.0 1.8 6.0 1664 1115 A 39 LEU HA A 77 THR H 1.0 1.8 6.0 1665 1116 A 77 THR H A 38 LEU HBx 1.0 1.8 6.0 1666 1116 A 38 LEU HBy A 77 THR H 1.0 1.8 6.0 1667 1117 A 77 THR H A 38 LEU H 1.0 1.8 5.0 1668 1118 A 39 LEU HDx% A 77 THR H 1.0 1.8 6.0 1669 1119 A 77 THR HA A 86 SER HA 1.0 1.8 4.2 1670 1120 A 86 SER HA A 78 PHE H 1.0 1.8 5.0 1671 1121 A 78 PHE H A 85 THR H 1.0 1.8 5.0 1672 1122 A 85 THR HG2% A 78 PHE HD% 1.0 1.8 5.0 1673 1123 A 85 THR HG2% A 78 PHE H 1.0 1.8 5.0 1674 1124 A 84 VAL HGy% A 78 PHE H 1.0 1.8 6.0 1675 1125 A 78 PHE H A 10 LEU HDx% 1.0 1.8 4.2 1676 1126 A 10 LEU HDy% A 78 PHE H 1.0 1.8 6.0 1677 1127 A 37 TRP HA A 79 LEU H 1.0 1.8 6.0 1678 1128 A 36 THR H A 79 LEU H 1.0 1.8 5.0 1679 1129 A 36 THR HB A 79 LEU H 1.0 1.8 5.0 1680 1130 A 35 HIS HBy A 79 LEU H 1.0 1.8 6.0 1681 1130 A 79 LEU H A 35 HIS HBx 1.0 1.8 6.0 1682 1131 A 37 TRP HD1 A 79 LEU H 1.0 1.8 6.0 1683 1132 A 38 LEU HG A 79 LEU H 1.0 1.8 6.0 1684 1133 A 80 ALA HB% A 27 LEU HDx% 1.0 1.8 5.0 1685 1134 A 80 ALA HB% A 35 HIS HBx 1.0 1.8 6.0 1686 1134 A 35 HIS HBy A 80 ALA HB% 1.0 1.8 6.0 1687 1135 A 35 HIS HA A 80 ALA HA 1.0 1.8 4.2 1688 1136 A 34 ALA HB% A 81 GLY H 1.0 1.8 6.0 1689 1137 A 35 HIS HA A 81 GLY H 1.0 1.8 6.0 1690 1138 A 34 ALA HB% A 81 GLY HAy 1.0 1.8 6.0 1691 1138 A 34 ALA HB% A 81 GLY HAx 1.0 1.8 6.0 1692 1139 A 4 ASN HBx A 82 ASP HBx 1.0 1.8 6.0 1693 1139 A 82 ASP HBy A 4 ASN HBx 1.0 1.8 6.0 1694 1139 A 4 ASN HBy A 82 ASP HBy 1.0 1.8 6.0 1695 1139 A 4 ASN HBy A 82 ASP HBx 1.0 1.8 6.0 1696 1140 A 83 MET HE% A 6 VAL HGy% 1.0 1.8 4.2 1697 1141 A 83 MET HE% A 27 LEU HDx% 1.0 1.8 5.0 1698 1142 A 83 MET HE% A 27 LEU HDy% 1.0 1.8 6.0 1699 1143 A 7 VAL HGy% A 83 MET HE% 1.0 1.8 5.0 1700 1144 A 83 MET HE% A 4 ASN HBx 1.0 1.8 5.0 1701 1144 A 4 ASN HBy A 83 MET HE% 1.0 1.8 5.0 1702 1145 A 5 THR HA A 83 MET HE% 1.0 1.8 6.0 1703 1146 A 28 SER HA A 83 MET HE% 1.0 1.8 6.0 1704 1147 A 77 THR HG2% A 85 THR H 1.0 1.8 6.0 1705 1148 A 85 THR H A 78 PHE HBx 1.0 1.8 6.0 1706 1148 A 78 PHE HBy A 85 THR H 1.0 1.8 6.0 1707 1149 A 79 LEU HA A 85 THR H 1.0 1.8 6.0 1708 1150 A 85 THR HG2% A 10 LEU HDy% 1.0 1.8 5.0 1709 1151 A 85 THR HG2% A 10 LEU HDx% 1.0 1.8 6.0 1710 1152 A 85 THR HG2% A 25 CYS HBx 1.0 1.8 5.0 1711 1152 A 25 CYS HBy A 85 THR HG2% 1.0 1.8 5.0 1712 1153 A 85 THR HG2% A 78 PHE HD% 1.0 1.8 5.0 1713 1154 A 85 THR HG2% A 78 PHE HE% 1.0 1.8 6.0 1714 1155 A 85 THR HG2% A 78 PHE HBx 1.0 1.8 5.0 1715 1155 A 78 PHE HBy A 85 THR HG2% 1.0 1.8 5.0 1716 1156 A 9 GLY HAx A 86 SER H 1.0 1.8 6.0 1717 1156 A 86 SER H A 9 GLY HAy 1.0 1.8 6.0 1718 1157 A 86 SER H A 10 LEU HBx 1.0 1.8 5.0 1719 1157 A 10 LEU HBy A 86 SER H 1.0 1.8 5.0 1720 1158 A 86 SER H A 10 LEU HDx% 1.0 1.8 5.0 1721 1159 A 86 SER H A 10 LEU HDy% 1.0 1.8 6.0 1722 1160 A 77 THR HA A 87 ALA H 1.0 1.8 6.0 1723 1161 A 76 VAL HB A 87 ALA H 1.0 1.8 6.0 1724 1162 A 87 ALA H A 75 ARG HGx 1.0 1.8 6.0 1725 1162 A 75 ARG HGy A 87 ALA H 1.0 1.8 6.0 1726 1163 A 87 ALA H A 75 ARG HDx 1.0 1.8 6.0 1727 1163 A 75 ARG HDy A 87 ALA H 1.0 1.8 6.0 1728 1164 A 10 LEU HDy% A 87 ALA H 1.0 1.8 6.0 1729 1165 A 12 ASN HA A 88 PHE H 1.0 1.8 5.0 1730 1166 A 88 PHE H A 12 ASN HBx 1.0 1.8 5.0 1731 1166 A 12 ASN HBy A 88 PHE H 1.0 1.8 5.0 1732 1167 A 75 ARG HA A 89 LEU H 1.0 1.8 6.0 1733 1168 A 73 SER HA A 89 LEU H 1.0 1.8 6.0 1734 1169 A 76 VAL H A 89 LEU H 1.0 1.8 6.0 1735 1170 A 76 VAL HGy% A 89 LEU H 1.0 1.8 6.0 1736 1171 A 89 LEU HDx% A 13 VAL HGx% 1.0 1.8 4.2 1737 1172 A 89 LEU HDx% A 13 VAL HGy% 1.0 1.8 6.0 1738 1173 A 89 LEU HDx% A 23 PHE HE% 1.0 1.8 5.0 1739 1174 A 89 LEU HDx% A 68 LEU HDx% 1.0 1.8 5.0 1740 1175 A 89 LEU HDx% A 68 LEU HDx% 1.0 1.8 5.0 1741 1176 A 89 LEU HDy% A 68 LEU HDy% 1.0 1.8 5.0 1742 1177 A 89 LEU HDy% A 68 LEU HDy% 1.0 1.8 5.0 1743 1178 A 65 LEU HDx% A 89 LEU HDy% 1.0 1.8 5.0 1744 1179 A 15 ALA HB% A 89 LEU HDx% 1.0 1.8 4.2 1745 1180 A 14 GLU HA A 90 THR H 1.0 1.8 5.0 1746 1181 A 13 VAL HB A 90 THR H 1.0 1.8 6.0 1747 1182 A 90 THR HA A 74 CYS H 1.0 1.8 6.0 1748 1183 A 90 THR HA A 73 SER HBx 1.0 1.8 6.0 1749 1183 A 73 SER HBy A 90 THR HA 1.0 1.8 6.0 1750 1184 A 90 THR HG2% A 14 GLU HBx 1.0 1.8 6.0 1751 1184 A 90 THR HG2% A 14 GLU HBy 1.0 1.8 6.0 1752 1185 A 90 THR HG2% A 14 GLU HGx 1.0 1.8 5.0 1753 1185 A 90 THR HG2% A 14 GLU HGy 1.0 1.8 5.0 1754 1186 A 15 ALA H A 90 THR HG2% 1.0 1.8 6.0 1755 1187 A 14 GLU HA A 90 THR HB 1.0 1.8 6.0 1756 1188 A 70 PRO HA A 91 VAL H 1.0 1.8 5.0 1757 1189 A 73 SER H A 91 VAL H 1.0 1.8 6.0 1758 1190 A 73 SER HBy A 91 VAL H 1.0 1.8 6.0 1759 1190 A 91 VAL H A 73 SER HBx 1.0 1.8 6.0 1760 1191 A 15 ALA HB% A 91 VAL HGy% 1.0 1.8 5.0 1761 1192 A 91 VAL HGx% A 17 GLU H 1.0 1.8 5.0 1762 1193 A 91 VAL HGx% A 17 GLU HBx 1.0 1.8 6.0 1763 1193 A 91 VAL HGx% A 17 GLU HBy 1.0 1.8 6.0 1764 1194 A 17 GLU HA A 91 VAL HGx% 1.0 1.8 5.0 1765 1195 A 16 LEU HA A 91 VAL HGx% 1.0 1.8 5.0 1766 1196 A 91 VAL HGx% A 70 PRO HA 1.0 1.8 5.0 1767 1197 A 91 VAL HGx% A 68 LEU HDx% 1.0 1.8 5.0 1768 1198 A 91 VAL HGx% A 68 LEU HDy% 1.0 1.8 6.0 1769 1199 A 91 VAL HGy% A 68 LEU HDx% 1.0 1.8 6.0 1770 1200 A 91 VAL HGy% A 68 LEU HDy% 1.0 1.8 5.0 1771 1201 A 16 LEU HA A 92 ARG H 1.0 1.8 5.0 1772 1202 A 17 GLU HBy A 92 ARG H 1.0 1.8 5.0 1773 1202 A 92 ARG H A 17 GLU HBx 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 THR C A 2 ALA N A 2 ALA CA A 2 ALA C 1.0 -190.000 -130.000 PHI 2 2 A 7 VAL C A 8 ARG N A 8 ARG CA A 8 ARG C 1.0 -175.000 -95.000 PHI 3 3 A 9 GLY C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -121.000 -61.000 PHI 4 4 A 14 GLU C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -175.000 -95.000 PHI 5 5 A 19 GLY C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -163.000 -83.000 PHI 6 6 A 25 CYS C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -160.000 -80.000 PHI 7 7 A 26 GLN C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -171.000 -91.000 PHI 8 8 A 27 LEU C A 28 SER N A 28 SER CA A 28 SER C 1.0 -119.000 -39.000 PHI 9 9 A 30 PRO C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -153.700 -93.700 PHI 10 10 A 34 ALA C A 35 HIS N A 35 HIS CA A 35 HIS C 1.0 -153.000 -73.000 PHI 11 11 A 35 HIS C A 36 THR N A 36 THR CA A 36 THR C 1.0 -179.000 -99.000 PHI 12 12 A 40 ASP C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -128.000 -68.000 PHI 13 13 A 42 GLU C A 43 PRO N A 43 PRO CA A 43 PRO C 1.0 -98.000 -38.000 PHI 14 14 A 44 VAL C A 45 ARG N A 45 ARG CA A 45 ARG C 1.0 -148.000 -88.000 PHI 15 15 A 49 ASN C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -190.000 -110.000 PHI 16 16 A 55 PHE C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 32.000 92.000 PHI 17 17 A 58 GLY C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -124.800 -44.800 PHI 18 18 A 62 LEU C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -174.000 -94.000 PHI 19 19 A 64 LEU C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -154.400 -74.400 PHI 20 20 A 69 ARG C A 70 PRO N A 70 PRO CA A 70 PRO C 1.0 -87.000 -27.000 PHI 21 21 A 76 VAL C A 77 THR N A 77 THR CA A 77 THR C 1.0 -162.200 -82.200 PHI 22 22 A 85 THR C A 86 SER N A 86 SER CA A 86 SER C 1.0 -163.000 -83.000 PHI 23 23 A 93 GLY C A 94 GLY N A 94 GLY CA A 94 GLY C 1.0 -160.000 -80.000 PHI 24 24 A 95 LEU C A 96 GLU N A 96 GLU CA A 96 GLU C 1.0 -160.000 -80.000 PHI 25 25 A 96 GLU C A 97 HIS N A 97 HIS CA A 97 HIS C 1.0 -160.000 -80.000 PHI 26 26 A 97 HIS C A 98 HIS N A 98 HIS CA A 98 HIS C 1.0 -160.000 -80.000 PHI 27 27 A 98 HIS C A 99 HIS N A 99 HIS CA A 99 HIS C 1.0 -160.000 -80.000 PHI 28 28 A 26 GLN N A 26 GLN CA A 26 GLN C A 27 LEU N 1.0 85.000 165.000 PSI 29 29 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 SER N 1.0 134.000 214.000 PSI 30 30 A 35 HIS N A 35 HIS CA A 35 HIS C A 36 THR N 1.0 121.000 181.000 PSI 31 31 A 2 ALA C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -180.000 -120.000 PHI 32 32 A 2 ALA N A 2 ALA CA A 2 ALA C A 3 LYS N 1.0 -48.225 11.775 PSI 33 33 A 3 LYS C A 4 ASN N A 4 ASN CA A 4 ASN C 1.0 -150.000 -90.000 PHI 34 34 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 ASN N 1.0 111.260 171.260 PSI 35 35 A 4 ASN C A 5 THR N A 5 THR CA A 5 THR C 1.0 -161.000 -81.000 PHI 36 36 A 4 ASN N A 4 ASN CA A 4 ASN C A 5 THR N 1.0 105.500 165.500 PSI 37 37 A 5 THR C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -123.400 -43.400 PHI 38 38 A 5 THR N A 5 THR CA A 5 THR C A 6 VAL N 1.0 111.500 191.500 PSI 39 39 A 6 VAL C A 7 VAL N A 7 VAL CA A 7 VAL C 1.0 -141.000 -61.000 PHI 40 40 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 VAL N 1.0 80.000 160.000 PSI 41 41 A 7 VAL N A 7 VAL CA A 7 VAL C A 8 ARG N 1.0 -76.000 4.000 PSI 42 42 A 8 ARG N A 8 ARG CA A 8 ARG C A 9 GLY N 1.0 101.000 181.000 PSI 43 43 A 10 LEU C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -154.000 -94.000 PHI 44 44 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 GLU N 1.0 111.300 171.300 PSI 45 45 A 11 GLU C A 12 ASN N A 12 ASN CA A 12 ASN C 1.0 -105.000 -25.000 PHI 46 46 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 ASN N 1.0 125.000 185.000 PSI 47 47 A 12 ASN C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -162.000 -82.000 PHI 48 48 A 12 ASN N A 12 ASN CA A 12 ASN C A 13 VAL N 1.0 98.500 178.500 PSI 49 49 A 13 VAL C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -155.000 -75.000 PHI 50 50 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 GLU N 1.0 94.600 174.600 PSI 51 51 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 ALA N 1.0 82.200 162.200 PSI 52 52 A 15 ALA C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -140.000 -60.000 PHI 53 53 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 LEU N 1.0 119.000 199.000 PSI 54 54 A 16 LEU C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -82.000 -22.000 PHI 55 55 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 GLY N 1.0 106.000 166.000 PSI 56 56 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 GLU N 1.0 105.000 185.000 PSI 57 57 A 20 GLU C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -183.000 -103.000 PHI 58 58 A 21 ALA C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -165.000 -85.000 PHI 59 59 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 LEU N 1.0 79.000 159.000 PSI 60 60 A 22 LEU C A 23 PHE N A 23 PHE CA A 23 PHE C 1.0 -167.000 -87.000 PHI 61 61 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 PHE N 1.0 98.000 178.000 PSI 62 62 A 23 PHE C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -157.000 -77.000 PHI 63 63 A 23 PHE N A 23 PHE CA A 23 PHE C A 24 GLU N 1.0 80.000 160.000 PSI 64 64 A 24 GLU C A 25 CYS N A 25 CYS CA A 25 CYS C 1.0 -171.000 -91.000 PHI 65 65 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 CYS N 1.0 101.000 181.000 PSI 66 66 A 25 CYS N A 25 CYS CA A 25 CYS C A 26 GLN N 1.0 113.500 193.500 PSI 67 67 A 28 SER C A 29 GLN N A 29 GLN CA A 29 GLN C 1.0 -200.000 -140.000 PHI 68 68 A 28 SER N A 28 SER CA A 28 SER C A 29 GLN N 1.0 90.000 170.000 PSI 69 69 A 29 GLN N A 29 GLN CA A 29 GLN C A 30 PRO N 1.0 63.000 123.000 PSI 70 70 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 VAL N 1.0 133.000 193.000 PSI 71 71 A 32 VAL C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -115.000 -55.000 PHI 72 72 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 ALA N 1.0 112.000 172.000 PSI 73 73 A 33 ALA C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -165.000 -85.000 PHI 74 74 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 HIS N 1.0 98.000 158.000 PSI 75 75 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 ALA N 1.0 -56.800 3.200 PSI 76 76 A 36 THR C A 37 TRP N A 37 TRP CA A 37 TRP C 1.0 -156.000 -76.000 PHI 77 77 A 36 THR N A 36 THR CA A 36 THR C A 37 TRP N 1.0 91.000 171.000 PSI 78 78 A 37 TRP C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -165.000 -85.000 PHI 79 79 A 37 TRP N A 37 TRP CA A 37 TRP C A 38 LEU N 1.0 68.000 148.000 PSI 80 80 A 38 LEU C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -154.000 -74.000 PHI 81 81 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 LEU N 1.0 102.300 182.300 PSI 82 82 A 39 LEU C A 40 ASP N A 40 ASP CA A 40 ASP C 1.0 -96.000 -36.000 PHI 83 83 A 40 ASP N A 40 ASP CA A 40 ASP C A 41 ASP N 1.0 104.000 164.000 PSI 84 84 A 41 ASP C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -175.000 -115.000 PHI 85 85 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 GLU N 1.0 1.000 61.000 PSI 86 86 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 PRO N 1.0 103.490 163.490 PSI 87 87 A 43 PRO C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -129.000 -69.000 PHI 88 88 A 43 PRO N A 43 PRO CA A 43 PRO C A 44 VAL N 1.0 112.800 172.800 PSI 89 89 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 ARG N 1.0 80.000 140.000 PSI 90 90 A 45 ARG C A 46 THR N A 46 THR CA A 46 THR C 1.0 20.000 80.000 PHI 91 91 A 46 THR C A 47 SER N A 47 SER CA A 47 SER C 1.0 -182.000 -122.000 PHI 92 92 A 47 SER C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -86.000 -26.000 PHI 93 93 A 47 SER N A 47 SER CA A 47 SER C A 48 GLU N 1.0 -201.000 -141.000 PSI 94 94 A 48 GLU C A 49 ASN N A 49 ASN CA A 49 ASN C 1.0 -117.000 -57.000 PHI 95 95 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 ASN N 1.0 -58.000 2.000 PSI 96 96 A 49 ASN N A 49 ASN CA A 49 ASN C A 50 ALA N 1.0 -29.000 31.000 PSI 97 97 A 50 ALA C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -179.000 -99.000 PHI 98 98 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 GLU N 1.0 94.000 174.000 PSI 99 99 A 51 GLU C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -141.000 -61.000 PHI 100 100 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 VAL N 1.0 97.000 177.000 PSI 101 101 A 52 VAL C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -183.000 -103.000 PHI 102 102 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 VAL N 1.0 89.100 169.100 PSI 103 103 A 53 VAL C A 54 PHE N A 54 PHE CA A 54 PHE C 1.0 -168.000 -88.000 PHI 104 104 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 PHE N 1.0 123.400 203.400 PSI 105 105 A 54 PHE C A 55 PHE N A 55 PHE CA A 55 PHE C 1.0 -169.000 -89.000 PHI 106 106 A 54 PHE N A 54 PHE CA A 54 PHE C A 55 PHE N 1.0 120.000 200.000 PSI 107 107 A 55 PHE N A 55 PHE CA A 55 PHE C A 56 GLU N 1.0 113.200 193.200 PSI 108 108 A 56 GLU C A 57 ASN N A 57 ASN CA A 57 ASN C 1.0 49.000 109.000 PHI 109 109 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 ASN N 1.0 3.000 63.000 PSI 110 110 A 57 ASN N A 57 ASN CA A 57 ASN C A 58 GLY N 1.0 8.000 68.000 PSI 111 111 A 59 LEU C A 60 ARG N A 60 ARG CA A 60 ARG C 1.0 -156.000 -76.000 PHI 112 112 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 ARG N 1.0 -63.000 -3.000 PSI 113 113 A 60 ARG C A 61 HIS N A 61 HIS CA A 61 HIS C 1.0 -153.000 -73.000 PHI 114 114 A 61 HIS C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -162.000 -82.000 PHI 115 115 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 LEU N 1.0 97.000 177.000 PSI 116 116 A 61 HIS N A 61 HIS CA A 61 HIS C A 62 LEU N 1.0 89.000 169.000 PSI 117 117 A 63 LEU C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -145.000 -65.000 PHI 118 118 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 LEU N 1.0 81.700 161.700 PSI 119 119 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 LEU N 1.0 84.200 164.200 PSI 120 120 A 65 LEU C A 66 LYS N A 66 LYS CA A 66 LYS C 1.0 -163.000 -103.000 PHI 121 121 A 66 LYS C A 67 ASN N A 67 ASN CA A 67 ASN C 1.0 34.000 94.000 PHI 122 122 A 66 LYS N A 66 LYS CA A 66 LYS C A 67 ASN N 1.0 135.500 195.500 PSI 123 123 A 67 ASN C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -116.600 -56.600 PHI 124 124 A 67 ASN N A 67 ASN CA A 67 ASN C A 68 LEU N 1.0 17.500 77.500 PSI 125 125 A 68 LEU C A 69 ARG N A 69 ARG CA A 69 ARG C 1.0 -144.000 -84.000 PHI 126 126 A 68 LEU N A 68 LEU CA A 68 LEU C A 69 ARG N 1.0 108.000 168.000 PSI 127 127 A 69 ARG N A 69 ARG CA A 69 ARG C A 70 PRO N 1.0 125.000 185.000 PSI 128 128 A 70 PRO C A 71 GLN N A 71 GLN CA A 71 GLN C 1.0 -109.000 -49.000 PHI 129 129 A 71 GLN C A 72 ASP N A 72 ASP CA A 72 ASP C 1.0 -104.000 -44.000 PHI 130 130 A 72 ASP C A 73 SER N A 73 SER CA A 73 SER C 1.0 -90.000 -30.000 PHI 131 131 A 72 ASP N A 72 ASP CA A 72 ASP C A 73 SER N 1.0 -57.000 3.000 PSI 132 132 A 73 SER C A 74 CYS N A 74 CYS CA A 74 CYS C 1.0 -199.000 -119.000 PHI 133 133 A 73 SER N A 73 SER CA A 73 SER C A 74 CYS N 1.0 80.000 160.000 PSI 134 134 A 74 CYS C A 75 ARG N A 75 ARG CA A 75 ARG C 1.0 -134.000 -54.000 PHI 135 135 A 74 CYS N A 74 CYS CA A 74 CYS C A 75 ARG N 1.0 -201.000 -121.000 PSI 136 136 A 75 ARG C A 76 VAL N A 76 VAL CA A 76 VAL C 1.0 -148.000 -68.000 PHI 137 137 A 76 VAL N A 76 VAL CA A 76 VAL C A 77 THR N 1.0 83.500 163.500 PSI 138 138 A 75 ARG N A 75 ARG CA A 75 ARG C A 76 VAL N 1.0 103.500 183.500 PSI 139 139 A 77 THR C A 78 PHE N A 78 PHE CA A 78 PHE C 1.0 -162.000 -82.000 PHI 140 140 A 77 THR N A 77 THR CA A 77 THR C A 78 PHE N 1.0 100.000 180.000 PSI 141 141 A 78 PHE C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -156.000 -76.000 PHI 142 142 A 78 PHE N A 78 PHE CA A 78 PHE C A 79 LEU N 1.0 86.900 166.900 PSI 143 143 A 79 LEU C A 80 ALA N A 80 ALA CA A 80 ALA C 1.0 -172.000 -92.000 PHI 144 144 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 ALA N 1.0 77.000 157.000 PSI 145 145 A 80 ALA N A 80 ALA CA A 80 ALA C A 81 GLY N 1.0 79.000 159.000 PSI 146 146 A 81 GLY C A 82 ASP N A 82 ASP CA A 82 ASP C 1.0 -92.000 -12.000 PHI 147 147 A 82 ASP C A 83 MET N A 83 MET CA A 83 MET C 1.0 -151.000 -71.000 PHI 148 148 A 82 ASP N A 82 ASP CA A 82 ASP C A 83 MET N 1.0 -37.000 43.000 PSI 149 149 A 83 MET C A 84 VAL N A 84 VAL CA A 84 VAL C 1.0 -162.000 -82.000 PHI 150 150 A 83 MET N A 83 MET CA A 83 MET C A 84 VAL N 1.0 108.000 188.000 PSI 151 151 A 84 VAL C A 85 THR N A 85 THR CA A 85 THR C 1.0 -156.000 -76.000 PHI 152 152 A 84 VAL N A 84 VAL CA A 84 VAL C A 85 THR N 1.0 92.600 172.600 PSI 153 153 A 85 THR N A 85 THR CA A 85 THR C A 86 SER N 1.0 85.000 165.000 PSI 154 154 A 86 SER C A 87 ALA N A 87 ALA CA A 87 ALA C 1.0 -183.000 -103.000 PHI 155 155 A 86 SER N A 86 SER CA A 86 SER C A 87 ALA N 1.0 101.000 181.000 PSI 156 156 A 87 ALA C A 88 PHE N A 88 PHE CA A 88 PHE C 1.0 -157.900 -77.900 PHI 157 157 A 87 ALA N A 87 ALA CA A 87 ALA C A 88 PHE N 1.0 112.000 192.000 PSI 158 158 A 88 PHE C A 89 LEU N A 89 LEU CA A 89 LEU C 1.0 -159.000 -79.000 PHI 159 159 A 88 PHE N A 88 PHE CA A 88 PHE C A 89 LEU N 1.0 101.000 181.000 PSI 160 160 A 89 LEU C A 90 THR N A 90 THR CA A 90 THR C 1.0 -180.000 -100.000 PHI 161 161 A 89 LEU N A 89 LEU CA A 89 LEU C A 90 THR N 1.0 81.200 161.200 PSI 162 162 A 90 THR C A 91 VAL N A 91 VAL CA A 91 VAL C 1.0 -172.000 -92.000 PHI 163 163 A 90 THR N A 90 THR CA A 90 THR C A 91 VAL N 1.0 88.300 168.300 PSI 164 164 A 91 VAL C A 92 ARG N A 92 ARG CA A 92 ARG C 1.0 -160.000 -80.000 PHI 165 165 A 91 VAL N A 91 VAL CA A 91 VAL C A 92 ARG N 1.0 101.500 181.500 PSI 166 166 A 92 ARG C A 93 GLY N A 93 GLY CA A 93 GLY C 1.0 -160.000 -80.000 PHI 167 167 A 92 ARG N A 92 ARG CA A 92 ARG C A 93 GLY N 1.0 93.300 173.300 PSI 168 168 A 94 GLY C A 95 LEU N A 95 LEU CA A 95 LEU C 1.0 -160.000 -80.000 PHI 169 169 A 99 HIS C A 100 HIS N A 100 HIS CA A 100 HIS C 1.0 -160.000 -80.000 PHI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 3 LYS N A 3 LYS H 1.0 . . . 2 2 A 4 ASN N A 4 ASN H 1.0 . . . 3 3 A 5 THR N A 5 THR H 1.0 . . . 4 4 A 6 VAL N A 6 VAL H 1.0 . . . 5 5 A 7 VAL N A 7 VAL H 1.0 . . . 6 6 A 9 GLY N A 9 GLY H 1.0 . . . 7 7 A 11 GLU N A 11 GLU H 1.0 . . . 8 8 A 12 ASN N A 12 ASN H 1.0 . . . 9 9 A 13 VAL N A 13 VAL H 1.0 . . . 10 10 A 14 GLU N A 14 GLU H 1.0 . . . 11 11 A 16 LEU N A 16 LEU H 1.0 . . . 12 12 A 17 GLU N A 17 GLU H 1.0 . . . 13 13 A 19 GLY N A 19 GLY H 1.0 . . . 14 14 A 21 ALA N A 21 ALA H 1.0 . . . 15 15 A 22 LEU N A 22 LEU H 1.0 . . . 16 16 A 23 PHE N A 23 PHE H 1.0 . . . 17 17 A 24 GLU N A 24 GLU H 1.0 . . . 18 18 A 25 CYS N A 25 CYS H 1.0 . . . 19 19 A 29 GLN N A 29 GLN H 1.0 . . . 20 20 A 32 VAL N A 32 VAL H 1.0 . . . 21 21 A 33 ALA N A 33 ALA H 1.0 . . . 22 22 A 34 ALA N A 34 ALA H 1.0 . . . 23 23 A 37 TRP N A 37 TRP H 1.0 . . . 24 24 A 38 LEU N A 38 LEU H 1.0 . . . 25 25 A 39 LEU N A 39 LEU H 1.0 . . . 26 26 A 40 ASP N A 40 ASP H 1.0 . . . 27 27 A 42 GLU N A 42 GLU H 1.0 . . . 28 28 A 44 VAL N A 44 VAL H 1.0 . . . 29 29 A 46 THR N A 46 THR H 1.0 . . . 30 30 A 47 SER N A 47 SER H 1.0 . . . 31 31 A 48 GLU N A 48 GLU H 1.0 . . . 32 32 A 49 ASN N A 49 ASN H 1.0 . . . 33 33 A 51 GLU N A 51 GLU H 1.0 . . . 34 34 A 52 VAL N A 52 VAL H 1.0 . . . 35 35 A 53 VAL N A 53 VAL H 1.0 . . . 36 36 A 54 PHE N A 54 PHE H 1.0 . . . 37 37 A 55 PHE N A 55 PHE H 1.0 . . . 38 38 A 57 ASN N A 57 ASN H 1.0 . . . 39 39 A 58 GLY N A 58 GLY H 1.0 . . . 40 40 A 60 ARG N A 60 ARG H 1.0 . . . 41 41 A 61 HIS N A 61 HIS H 1.0 . . . 42 42 A 62 LEU N A 62 LEU H 1.0 . . . 43 43 A 64 LEU N A 64 LEU H 1.0 . . . 44 44 A 66 LYS N A 66 LYS H 1.0 . . . 45 45 A 67 ASN N A 67 ASN H 1.0 . . . 46 46 A 68 LEU N A 68 LEU H 1.0 . . . 47 47 A 69 ARG N A 69 ARG H 1.0 . . . 48 48 A 71 GLN N A 71 GLN H 1.0 . . . 49 49 A 72 ASP N A 72 ASP H 1.0 . . . 50 50 A 73 SER N A 73 SER H 1.0 . . . 51 51 A 74 CYS N A 74 CYS H 1.0 . . . 52 52 A 75 ARG N A 75 ARG H 1.0 . . . 53 53 A 76 VAL N A 76 VAL H 1.0 . . . 54 54 A 78 PHE N A 78 PHE H 1.0 . . . 55 55 A 79 LEU N A 79 LEU H 1.0 . . . 56 56 A 80 ALA N A 80 ALA H 1.0 . . . 57 57 A 81 GLY N A 81 GLY H 1.0 . . . 58 58 A 82 ASP N A 82 ASP H 1.0 . . . 59 59 A 83 MET N A 83 MET H 1.0 . . . 60 60 A 84 VAL N A 84 VAL H 1.0 . . . 61 61 A 85 THR N A 85 THR H 1.0 . . . 62 62 A 87 ALA N A 87 ALA H 1.0 . . . 63 63 A 88 PHE N A 88 PHE H 1.0 . . . 64 64 A 89 LEU N A 89 LEU H 1.0 . . . 65 65 A 90 THR N A 90 THR H 1.0 . . . 66 66 A 91 VAL N A 91 VAL H 1.0 . . . 67 67 A 92 ARG N A 92 ARG H 1.0 . . . 68 68 A 93 GLY N A 93 GLY H 1.0 . . . 69 69 A 95 LEU N A 95 LEU H 1.0 . . . 70 70 A 100 HIS N A 100 HIS H 1.0 . . . 71 71 A 101 HIS N A 101 HIS H 1.0 . . . 72 72 A 102 HIS N A 102 HIS H 1.0 . . . stop_ save_