data_nef_c15828_2k5c save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 11 CYS SG 2 1 ZN ZN 1 14 CYS SG 2 1 ZN ZN 1 54 CYS SG 2 1 ZN ZN 1 57 CYS SG 2 1 ZN ZN stop_ 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 ALA start . . 2 A 2 HIS middle . . 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 MET middle . . 9 A 9 ALA middle . . 10 A 10 LYS middle . . 11 A 11 CYS middle -HG . 12 A 12 PRO middle . false 13 A 13 ILE middle . . 14 A 14 CYS middle -HG . 15 A 15 GLY middle . false 16 A 16 SER middle . . 17 A 17 PRO middle . false 18 A 18 LEU middle . . 19 A 19 LYS middle . . 20 A 20 TRP middle . . 21 A 21 GLU middle . . 22 A 22 GLU middle . . 23 A 23 LEU middle . . 24 A 24 ILE middle . . 25 A 25 GLU middle . . 26 A 26 GLU middle . . 27 A 27 MET middle . . 28 A 28 LEU middle . . 29 A 29 ILE middle . . 30 A 30 ILE middle . . 31 A 31 GLU middle . . 32 A 32 ASN middle . . 33 A 33 PHE middle . . 34 A 34 GLU middle . . 35 A 35 GLU middle . . 36 A 36 ILE middle . . 37 A 37 VAL middle . . 38 A 38 LYS middle . . 39 A 39 ASP middle . . 40 A 40 ARG middle . . 41 A 41 GLU middle . . 42 A 42 ARG middle . . 43 A 43 PHE middle . . 44 A 44 LEU middle . . 45 A 45 ALA middle . . 46 A 46 GLN middle . . 47 A 47 VAL middle . . 48 A 48 GLU middle . . 49 A 49 GLU middle . . 50 A 50 PHE middle . . 51 A 51 VAL middle . . 52 A 52 PHE middle . . 53 A 53 LYS middle . . 54 A 54 CYS middle -HG . 55 A 55 PRO middle . false 56 A 56 VAL middle . . 57 A 57 CYS middle -HG . 58 A 58 GLY middle . false 59 A 59 GLU middle . . 60 A 60 GLU middle . . 61 A 61 PHE middle . . 62 A 62 TYR middle . . 63 A 63 GLY middle . false 64 A 64 LYS middle . . 65 A 65 THR middle . . 66 A 66 LEU middle . . 67 A 67 PRO middle . false 68 A 68 ARG middle . . 69 A 69 ARG middle . . 70 A 70 GLU middle . . 71 A 71 ALA middle . . 72 A 72 GLU middle . . 73 A 73 LYS middle . . 74 A 74 VAL middle . . 75 A 75 PHE middle . . 76 A 76 GLU middle . . 77 A 77 LEU middle . . 78 A 78 LEU middle . . 79 A 79 ASN middle . . 80 A 80 ASP middle . . 81 A 81 PHE middle . . 82 A 82 LYS middle . . 83 A 83 GLY middle . false 84 A 84 GLY middle . false 85 A 85 ILE middle . . 86 A 86 ASP middle . . 87 A 87 TRP middle . . 88 A 88 GLU middle . . 89 A 89 ASN middle . . 90 A 90 LYS middle . . 91 A 91 ARG middle . . 92 A 92 VAL middle . . 93 A 93 LYS middle . . 94 A 94 LEU middle . . 95 A 95 LYS end . . 96 B 1 ZN . . . 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 8 MET H H 1 8.810 0.04 A 8 MET HA H 1 5.205 0.04 A 8 MET HBx H 1 1.928 0.04 A 8 MET HBy H 1 2.033 0.04 A 8 MET HGy H 1 2.560 0.04 A 8 MET HGx H 1 2.360 0.04 A 8 MET CA C 13 54.020 0.2 A 8 MET CB C 13 33.460 0.2 A 8 MET CG C 13 31.827 0.2 A 8 MET N N 15 123.540 0.05 A 9 ALA H H 1 9.040 0.04 A 9 ALA HA H 1 4.563 0.04 A 9 ALA HB% H 1 0.494 0.04 A 9 ALA CA C 13 50.360 0.2 A 9 ALA CB C 13 20.040 0.2 A 9 ALA N N 15 126.680 0.05 A 10 LYS H H 1 8.050 0.04 A 10 LYS HA H 1 4.609 0.04 A 10 LYS HBx H 1 1.292 0.04 A 10 LYS CA C 13 54.490 0.2 A 10 LYS CB C 13 35.150 0.2 A 10 LYS N N 15 121.420 0.05 A 11 CYS H H 1 8.420 0.04 A 11 CYS HA H 1 3.727 0.04 A 11 CYS HBx H 1 2.917 0.04 A 11 CYS HBy H 1 2.997 0.04 A 11 CYS CA C 13 56.660 0.2 A 11 CYS CB C 13 32.700 0.2 A 11 CYS N N 15 127.040 0.05 A 12 PRO HA H 1 4.189 0.04 A 12 PRO HBx H 1 1.792 0.04 A 12 PRO HBy H 1 2.041 0.04 A 12 PRO HGx H 1 2.344 0.04 A 12 PRO CA C 13 63.750 0.2 A 12 PRO CB C 13 31.975 0.2 A 13 ILE H H 1 9.480 0.04 A 13 ILE HA H 1 3.978 0.04 A 13 ILE HB H 1 1.886 0.04 A 13 ILE HD1% H 1 0.752 0.04 A 13 ILE HG12 H 1 1.221 0.04 A 13 ILE HG21 H 1 0.800 0.04 A 13 ILE HG22 H 1 0.800 0.04 A 13 ILE HG23 H 1 0.800 0.04 A 13 ILE CA C 13 62.610 0.2 A 13 ILE CB C 13 37.450 0.2 A 13 ILE CD1 C 13 11.823 0.2 A 13 ILE CG1 C 13 27.451 0.2 A 13 ILE CG2 C 13 18.700 0.2 A 13 ILE N N 15 123.570 0.05 A 14 CYS H H 1 9.510 0.04 A 14 CYS HA H 1 4.789 0.04 A 14 CYS HBx H 1 2.765 0.04 A 14 CYS HBy H 1 3.243 0.04 A 14 CYS CA C 13 58.740 0.2 A 14 CYS CB C 13 32.330 0.2 A 14 CYS N N 15 121.260 0.05 A 15 GLY H H 1 7.750 0.04 A 15 GLY HAx H 1 3.693 0.04 A 15 GLY HAy H 1 4.050 0.04 A 15 GLY CA C 13 45.970 0.2 A 15 GLY N N 15 111.830 0.05 A 16 SER H H 1 8.850 0.04 A 16 SER CA C 13 58.660 0.2 A 16 SER CB C 13 62.240 0.2 A 16 SER N N 15 120.260 0.05 A 17 PRO HA H 1 4.621 0.04 A 17 PRO HBx H 1 1.760 0.04 A 17 PRO HBy H 1 2.146 0.04 A 17 PRO CA C 13 62.664 0.2 A 17 PRO CB C 13 32.008 0.2 A 18 LEU H H 1 8.270 0.04 A 18 LEU HA H 1 4.508 0.04 A 18 LEU HBx H 1 1.022 0.04 A 18 LEU HDx% H 1 0.711 0.04 A 18 LEU HDy% H 1 0.937 0.04 A 18 LEU HG H 1 1.555 0.04 A 18 LEU CA C 13 52.310 0.2 A 18 LEU CB C 13 45.420 0.2 A 18 LEU CD1 C 13 26.161 0.2 A 18 LEU CD2 C 13 23.501 0.2 A 18 LEU CG C 13 23.076 0.2 A 18 LEU N N 15 123.430 0.05 A 19 LYS H H 1 9.230 0.04 A 19 LYS HA H 1 4.625 0.04 A 19 LYS HBx H 1 1.686 0.04 A 19 LYS HBy H 1 2.176 0.04 A 19 LYS CA C 13 56.110 0.2 A 19 LYS CB C 13 32.610 0.2 A 19 LYS N N 15 122.350 0.05 A 20 TRP H H 1 8.920 0.04 A 20 TRP HA H 1 4.082 0.04 A 20 TRP HBx H 1 2.988 0.04 A 20 TRP HD1 H 1 6.673 0.04 A 20 TRP HE1 H 1 10.350 0.04 A 20 TRP HH2 H 1 6.817 0.04 A 20 TRP HZ2 H 1 7.205 0.04 A 20 TRP CA C 13 62.580 0.2 A 20 TRP CB C 13 28.910 0.2 A 20 TRP CD1 C 13 125.450 0.2 A 20 TRP CH2 C 13 124.042 0.2 A 20 TRP CZ2 C 13 113.731 0.2 A 20 TRP N N 15 125.980 0.05 A 20 TRP NE1 N 15 128.873 0.05 A 21 GLU H H 1 10.330 0.04 A 21 GLU HA H 1 3.672 0.04 A 21 GLU HBx H 1 1.949 0.04 A 21 GLU HBy H 1 1.949 0.04 A 21 GLU CA C 13 61.180 0.2 A 21 GLU CB C 13 29.340 0.2 A 21 GLU CG C 13 37.493 0.2 A 21 GLU N N 15 117.560 0.05 A 22 GLU H H 1 6.820 0.04 A 22 GLU HA H 1 4.146 0.04 A 22 GLU HBy H 1 2.204 0.04 A 22 GLU HBx H 1 2.095 0.04 A 22 GLU CA C 13 58.490 0.2 A 22 GLU CB C 13 29.420 0.2 A 22 GLU N N 15 115.710 0.05 A 23 LEU H H 1 7.430 0.04 A 23 LEU HA H 1 4.140 0.04 A 23 LEU HBx H 1 1.039 0.04 A 23 LEU HBy H 1 1.835 0.04 A 23 LEU HDx% H 1 0.346 0.04 A 23 LEU HDy% H 1 -0.440 0.04 A 23 LEU HG H 1 1.301 0.04 A 23 LEU CA C 13 57.950 0.2 A 23 LEU CB C 13 39.650 0.2 A 23 LEU CD1 C 13 21.200 0.2 A 23 LEU CD2 C 13 23.701 0.2 A 23 LEU CG C 13 26.201 0.2 A 23 LEU N N 15 119.470 0.05 A 24 ILE H H 1 8.630 0.04 A 24 ILE HA H 1 3.764 0.04 A 24 ILE HB H 1 2.143 0.04 A 24 ILE HD1% H 1 1.114 0.04 A 24 ILE HG12 H 1 1.440 0.04 A 24 ILE HG13 H 1 2.341 0.04 A 24 ILE HG21 H 1 0.992 0.04 A 24 ILE HG22 H 1 0.992 0.04 A 24 ILE HG23 H 1 0.992 0.04 A 24 ILE CA C 13 62.260 0.2 A 24 ILE CB C 13 34.360 0.2 A 24 ILE CD1 C 13 79.337 0.2 A 24 ILE CG1 C 13 26.826 0.2 A 24 ILE CG2 C 13 18.075 0.2 A 24 ILE N N 15 116.760 0.05 A 25 GLU H H 1 7.980 0.04 A 25 GLU HA H 1 3.595 0.04 A 25 GLU HBx H 1 1.993 0.04 A 25 GLU HBy H 1 2.249 0.04 A 25 GLU CA C 13 59.830 0.2 A 25 GLU CB C 13 28.950 0.2 A 25 GLU N N 15 118.430 0.05 A 26 GLU H H 1 7.470 0.04 A 26 GLU HA H 1 4.063 0.04 A 26 GLU HBx H 1 2.366 0.04 A 26 GLU HBy H 1 2.577 0.04 A 26 GLU CA C 13 59.040 0.2 A 26 GLU CB C 13 28.370 0.2 A 26 GLU CG C 13 33.664 0.2 A 26 GLU N N 15 116.970 0.05 A 27 MET H H 1 7.260 0.04 A 27 MET HA H 1 3.250 0.04 A 27 MET HBx H 1 1.294 0.04 A 27 MET HBy H 1 1.623 0.04 A 27 MET CA C 13 56.870 0.2 A 27 MET CB C 13 33.470 0.2 A 27 MET CG C 13 31.886 0.2 A 27 MET N N 15 113.550 0.05 A 28 LEU H H 1 6.990 0.04 A 28 LEU HA H 1 3.738 0.04 A 28 LEU HBx H 1 1.518 0.04 A 28 LEU HBy H 1 1.690 0.04 A 28 LEU HDx% H 1 0.429 0.04 A 28 LEU CA C 13 56.540 0.2 A 28 LEU CB C 13 39.890 0.2 A 28 LEU CD1 C 13 25.113 0.2 A 28 LEU N N 15 113.620 0.05 A 29 ILE H H 1 6.590 0.04 A 29 ILE HA H 1 4.163 0.04 A 29 ILE HB H 1 2.044 0.04 A 29 ILE HD1% H 1 0.907 0.04 A 29 ILE HG12 H 1 1.412 0.04 A 29 ILE HG13 H 1 1.391 0.04 A 29 ILE HG21 H 1 0.993 0.04 A 29 ILE HG22 H 1 0.993 0.04 A 29 ILE HG23 H 1 0.993 0.04 A 29 ILE CA C 13 61.050 0.2 A 29 ILE CB C 13 38.470 0.2 A 29 ILE CD1 C 13 14.359 0.2 A 29 ILE CG1 C 13 26.826 0.2 A 29 ILE CG2 C 13 18.224 0.2 A 29 ILE N N 15 110.880 0.05 A 30 ILE H H 1 7.830 0.04 A 30 ILE HA H 1 3.773 0.04 A 30 ILE HB H 1 1.804 0.04 A 30 ILE HD1% H 1 0.742 0.04 A 30 ILE HG12 H 1 1.147 0.04 A 30 ILE HG13 H 1 1.548 0.04 A 30 ILE HG21 H 1 1.000 0.04 A 30 ILE HG22 H 1 1.000 0.04 A 30 ILE HG23 H 1 1.000 0.04 A 30 ILE CA C 13 62.420 0.2 A 30 ILE CB C 13 38.110 0.2 A 30 ILE CD1 C 13 13.699 0.2 A 30 ILE CG1 C 13 28.076 0.2 A 30 ILE CG2 C 13 16.824 0.2 A 30 ILE N N 15 125.470 0.05 A 31 GLU H H 1 8.920 0.04 A 31 GLU HA H 1 4.062 0.04 A 31 GLU HBx H 1 1.990 0.04 A 31 GLU HGx H 1 2.315 0.04 A 31 GLU CA C 13 58.420 0.2 A 31 GLU CB C 13 29.500 0.2 A 31 GLU N N 15 130.620 0.05 A 32 ASN H H 1 8.970 0.04 A 32 ASN HA H 1 4.752 0.04 A 32 ASN HBx H 1 2.909 0.04 A 32 ASN HBy H 1 2.957 0.04 A 32 ASN CA C 13 53.510 0.2 A 32 ASN CB C 13 37.260 0.2 A 32 ASN N N 15 116.940 0.05 A 33 PHE H H 1 7.980 0.04 A 33 PHE HA H 1 4.204 0.04 A 33 PHE HBx H 1 3.093 0.04 A 33 PHE HBy H 1 3.734 0.04 A 33 PHE HDx H 1 7.137 0.04 A 33 PHE HEx H 1 6.961 0.04 A 33 PHE CA C 13 61.890 0.2 A 33 PHE CB C 13 38.930 0.2 A 33 PHE CDx C 13 131.726 0.2 A 33 PHE CEx C 13 129.500 0.2 A 33 PHE N N 15 120.340 0.05 A 34 GLU H H 1 9.140 0.04 A 34 GLU HA H 1 3.777 0.04 A 34 GLU HBx H 1 0.991 0.04 A 34 GLU HBy H 1 1.348 0.04 A 34 GLU HGx H 1 1.633 0.04 A 34 GLU HGy H 1 1.726 0.04 A 34 GLU CA C 13 59.420 0.2 A 34 GLU CB C 13 28.270 0.2 A 34 GLU CG C 13 35.322 0.2 A 34 GLU N N 15 115.760 0.05 A 35 GLU H H 1 7.180 0.04 A 35 GLU HA H 1 4.102 0.04 A 35 GLU HBx H 1 2.010 0.04 A 35 GLU CA C 13 57.530 0.2 A 35 GLU CB C 13 30.190 0.2 A 35 GLU N N 15 115.260 0.05 A 36 ILE H H 1 7.460 0.04 A 36 ILE HA H 1 3.403 0.04 A 36 ILE HB H 1 1.798 0.04 A 36 ILE HD1% H 1 0.958 0.04 A 36 ILE HG12 H 1 0.849 0.04 A 36 ILE HG21 H 1 0.849 0.04 A 36 ILE HG22 H 1 0.849 0.04 A 36 ILE HG23 H 1 0.849 0.04 A 36 ILE CA C 13 65.280 0.2 A 36 ILE CB C 13 38.030 0.2 A 36 ILE CD1 C 13 13.829 0.2 A 36 ILE CG1 C 13 17.518 0.2 A 36 ILE CG2 C 13 17.518 0.2 A 36 ILE N N 15 121.900 0.05 A 37 VAL H H 1 7.780 0.04 A 37 VAL HA H 1 3.566 0.04 A 37 VAL HB H 1 1.343 0.04 A 37 VAL HGx% H 1 0.614 0.04 A 37 VAL HGy% H 1 0.566 0.04 A 37 VAL CA C 13 63.540 0.2 A 37 VAL CB C 13 31.300 0.2 A 37 VAL CG1 C 13 22.450 0.2 A 37 VAL CG2 C 13 20.499 0.2 A 37 VAL N N 15 113.020 0.05 A 38 LYS H H 1 6.570 0.04 A 38 LYS HA H 1 4.475 0.04 A 38 LYS HBx H 1 1.702 0.04 A 38 LYS HBy H 1 1.936 0.04 A 38 LYS CA C 13 55.860 0.2 A 38 LYS CB C 13 33.350 0.2 A 38 LYS N N 15 113.740 0.05 A 39 ASP H H 1 7.850 0.04 A 39 ASP HA H 1 4.908 0.04 A 39 ASP HBx H 1 2.362 0.04 A 39 ASP HBy H 1 2.916 0.04 A 39 ASP CA C 13 52.470 0.2 A 39 ASP CB C 13 44.140 0.2 A 39 ASP N N 15 122.140 0.05 A 40 ARG H H 1 8.520 0.04 A 40 ARG HA H 1 2.229 0.04 A 40 ARG HBx H 1 1.114 0.04 A 40 ARG HBy H 1 1.314 0.04 A 40 ARG CA C 13 60.250 0.2 A 40 ARG CB C 13 30.980 0.2 A 40 ARG CG C 13 27.058 0.2 A 40 ARG N N 15 127.700 0.05 A 41 GLU H H 1 7.890 0.04 A 41 GLU HA H 1 3.853 0.04 A 41 GLU HBy H 1 2.234 0.04 A 41 GLU HBx H 1 1.975 0.04 A 41 GLU CA C 13 59.370 0.2 A 41 GLU CB C 13 28.940 0.2 A 41 GLU N N 15 114.560 0.05 A 42 ARG H H 1 8.250 0.04 A 42 ARG HA H 1 4.057 0.04 A 42 ARG HBx H 1 1.944 0.04 A 42 ARG CA C 13 59.170 0.2 A 42 ARG CB C 13 30.710 0.2 A 42 ARG N N 15 120.540 0.05 A 43 PHE H H 1 9.290 0.04 A 43 PHE HA H 1 3.845 0.04 A 43 PHE HBx H 1 2.929 0.04 A 43 PHE HBy H 1 3.519 0.04 A 43 PHE HDx H 1 6.942 0.04 A 43 PHE HEx H 1 7.279 0.04 A 43 PHE CA C 13 62.210 0.2 A 43 PHE CB C 13 38.600 0.2 A 43 PHE CDx C 13 131.540 0.2 A 43 PHE CEx C 13 130.603 0.2 A 43 PHE N N 15 121.760 0.05 A 44 LEU H H 1 8.380 0.04 A 44 LEU HA H 1 3.645 0.04 A 44 LEU HBx H 1 1.277 0.04 A 44 LEU HBy H 1 1.757 0.04 A 44 LEU HDx% H 1 0.700 0.04 A 44 LEU HDy% H 1 0.748 0.04 A 44 LEU HG H 1 1.968 0.04 A 44 LEU CA C 13 57.870 0.2 A 44 LEU CB C 13 40.620 0.2 A 44 LEU CD1 C 13 26.152 0.2 A 44 LEU N N 15 118.130 0.05 A 45 ALA H H 1 7.620 0.04 A 45 ALA HA H 1 4.170 0.04 A 45 ALA HB% H 1 1.449 0.04 A 45 ALA CA C 13 54.640 0.2 A 45 ALA CB C 13 18.080 0.2 A 45 ALA N N 15 120.070 0.05 A 46 GLN H H 1 8.010 0.04 A 46 GLN HA H 1 4.092 0.04 A 46 GLN HBx H 1 2.086 0.04 A 46 GLN HBy H 1 2.245 0.04 A 46 GLN HGx H 1 2.150 0.04 A 46 GLN HGy H 1 2.233 0.04 A 46 GLN CA C 13 57.510 0.2 A 46 GLN CB C 13 28.050 0.2 A 46 GLN CG C 13 36.203 0.2 A 46 GLN N N 15 117.380 0.05 A 47 VAL H H 1 8.350 0.04 A 47 VAL HA H 1 3.478 0.04 A 47 VAL HB H 1 1.989 0.04 A 47 VAL HGx% H 1 0.980 0.04 A 47 VAL HGy% H 1 0.416 0.04 A 47 VAL CA C 13 67.010 0.2 A 47 VAL CB C 13 31.660 0.2 A 47 VAL CG1 C 13 21.200 0.2 A 47 VAL CG2 C 13 22.900 0.2 A 47 VAL N N 15 119.810 0.05 A 48 GLU H H 1 7.620 0.04 A 48 GLU HA H 1 3.572 0.04 A 48 GLU HBy H 1 2.358 0.04 A 48 GLU HBx H 1 1.996 0.04 A 48 GLU HGx H 1 2.142 0.04 A 48 GLU HGy H 1 2.650 0.04 A 48 GLU CA C 13 59.580 0.2 A 48 GLU CB C 13 30.060 0.2 A 48 GLU CG C 13 37.440 0.2 A 48 GLU N N 15 114.990 0.05 A 49 GLU H H 1 7.170 0.04 A 49 GLU HA H 1 4.409 0.04 A 49 GLU HBx H 1 1.879 0.04 A 49 GLU HBy H 1 2.256 0.04 A 49 GLU HGx H 1 2.404 0.04 A 49 GLU CA C 13 55.630 0.2 A 49 GLU CB C 13 30.870 0.2 A 49 GLU CG C 13 36.203 0.2 A 49 GLU N N 15 112.570 0.05 A 50 PHE H H 1 7.750 0.04 A 50 PHE HA H 1 3.949 0.04 A 50 PHE HBx H 1 2.521 0.04 A 50 PHE HBy H 1 3.152 0.04 A 50 PHE CA C 13 59.230 0.2 A 50 PHE CB C 13 39.530 0.2 A 50 PHE N N 15 123.550 0.05 A 51 VAL H H 1 6.450 0.04 A 51 VAL HA H 1 3.654 0.04 A 51 VAL HB H 1 1.248 0.04 A 51 VAL HGx% H 1 0.183 0.04 A 51 VAL HGy% H 1 0.235 0.04 A 51 VAL CA C 13 61.280 0.2 A 51 VAL CB C 13 30.310 0.2 A 51 VAL CG1 C 13 20.575 0.2 A 51 VAL CG2 C 13 21.200 0.2 A 51 VAL N N 15 124.560 0.05 A 52 PHE H H 1 8.270 0.04 A 52 PHE HA H 1 4.140 0.04 A 52 PHE HBx H 1 1.121 0.04 A 52 PHE HBy H 1 2.162 0.04 A 52 PHE HDx H 1 7.030 0.04 A 52 PHE HEx H 1 7.393 0.04 A 52 PHE CA C 13 57.740 0.2 A 52 PHE CB C 13 41.220 0.2 A 52 PHE CDx C 13 132.260 0.2 A 52 PHE CEx C 13 131.947 0.2 A 52 PHE N N 15 126.760 0.05 A 53 LYS H H 1 8.550 0.04 A 53 LYS HA H 1 4.577 0.04 A 53 LYS HBx H 1 1.482 0.04 A 53 LYS CA C 13 54.220 0.2 A 53 LYS CB C 13 34.820 0.2 A 53 LYS N N 15 117.510 0.05 A 54 CYS H H 1 9.180 0.04 A 54 CYS CA C 13 57.480 0.2 A 54 CYS CB C 13 33.420 0.2 A 54 CYS N N 15 132.190 0.05 A 55 PRO HA H 1 4.429 0.04 A 55 PRO HBx H 1 1.975 0.04 A 55 PRO HBy H 1 2.368 0.04 A 55 PRO CA C 13 63.782 0.2 A 55 PRO CB C 13 32.366 0.2 A 56 VAL H H 1 9.540 0.04 A 56 VAL HA H 1 3.891 0.04 A 56 VAL HB H 1 1.915 0.04 A 56 VAL HGy% H 1 0.814 0.04 A 56 VAL CA C 13 65.240 0.2 A 56 VAL CB C 13 32.680 0.2 A 56 VAL CG2 C 13 21.200 0.2 A 56 VAL N N 15 123.190 0.05 A 57 CYS H H 1 9.730 0.04 A 57 CYS HA H 1 4.781 0.04 A 57 CYS HBx H 1 2.735 0.04 A 57 CYS HBy H 1 3.250 0.04 A 57 CYS CA C 13 59.040 0.2 A 57 CYS CB C 13 32.290 0.2 A 57 CYS N N 15 122.450 0.05 A 58 GLY H H 1 7.750 0.04 A 58 GLY HAx H 1 3.813 0.04 A 58 GLY HAy H 1 4.080 0.04 A 58 GLY CA C 13 46.160 0.2 A 58 GLY N N 15 111.830 0.05 A 59 GLU H H 1 8.480 0.04 A 59 GLU HA H 1 4.403 0.04 A 59 GLU HBx H 1 2.105 0.04 A 59 GLU CA C 13 56.100 0.2 A 59 GLU CB C 13 30.760 0.2 A 59 GLU N N 15 121.270 0.05 A 60 GLU H H 1 8.280 0.04 A 60 GLU HA H 1 5.254 0.04 A 60 GLU HBx H 1 1.541 0.04 A 60 GLU HBy H 1 1.650 0.04 A 60 GLU HGx H 1 1.825 0.04 A 60 GLU HGy H 1 2.154 0.04 A 60 GLU CA C 13 54.400 0.2 A 60 GLU CB C 13 31.690 0.2 A 60 GLU CG C 13 36.994 0.2 A 60 GLU N N 15 118.400 0.05 A 61 PHE H H 1 8.420 0.04 A 61 PHE HA H 1 4.849 0.04 A 61 PHE HBx H 1 2.976 0.04 A 61 PHE HDx H 1 6.855 0.04 A 61 PHE HEx H 1 6.739 0.04 A 61 PHE HZ H 1 6.542 0.04 A 61 PHE CA C 13 55.370 0.2 A 61 PHE CB C 13 40.960 0.2 A 61 PHE CDx C 13 133.420 0.2 A 61 PHE CEx C 13 129.670 0.2 A 61 PHE CZ C 13 127.790 0.2 A 61 PHE N N 15 115.570 0.05 A 62 TYR H H 1 8.980 0.04 A 62 TYR HA H 1 5.208 0.04 A 62 TYR HBx H 1 3.005 0.04 A 62 TYR HBy H 1 3.278 0.04 A 62 TYR HDx H 1 7.152 0.04 A 62 TYR HEx H 1 6.770 0.04 A 62 TYR CA C 13 58.160 0.2 A 62 TYR CB C 13 40.320 0.2 A 62 TYR CDx C 13 132.950 0.2 A 62 TYR CEx C 13 118.420 0.2 A 62 TYR N N 15 118.690 0.05 A 63 GLY H H 1 9.740 0.04 A 63 GLY HAx H 1 4.076 0.04 A 63 GLY HAy H 1 5.361 0.04 A 63 GLY CA C 13 48.310 0.2 A 63 GLY N N 15 111.970 0.05 A 64 LYS H H 1 7.950 0.04 A 64 LYS HA H 1 4.400 0.04 A 64 LYS HBy H 1 2.128 0.04 A 64 LYS HBx H 1 1.941 0.04 A 64 LYS CA C 13 57.750 0.2 A 64 LYS CB C 13 31.740 0.2 A 64 LYS N N 15 118.770 0.05 A 65 THR H H 1 8.040 0.04 A 65 THR HA H 1 4.288 0.04 A 65 THR HB H 1 4.288 0.04 A 65 THR HG2% H 1 1.422 0.04 A 65 THR CA C 13 63.200 0.2 A 65 THR CB C 13 69.600 0.2 A 65 THR CG2 C 13 22.450 0.2 A 65 THR N N 15 109.800 0.05 A 66 LEU H H 1 7.780 0.04 A 66 LEU CA C 13 52.550 0.2 A 66 LEU CB C 13 40.550 0.2 A 66 LEU N N 15 123.570 0.05 A 68 ARG HA H 1 4.009 0.04 A 68 ARG HBx H 1 1.759 0.04 A 68 ARG HBy H 1 2.058 0.04 A 68 ARG CA C 13 59.473 0.2 A 68 ARG CB C 13 30.010 0.2 A 68 ARG CG C 13 27.828 0.2 A 69 ARG H H 1 8.910 0.04 A 69 ARG HA H 1 4.210 0.04 A 69 ARG HBx H 1 1.713 0.04 A 69 ARG HBy H 1 1.859 0.04 A 69 ARG CA C 13 58.310 0.2 A 69 ARG CB C 13 29.500 0.2 A 69 ARG N N 15 115.110 0.05 A 70 GLU H H 1 7.220 0.04 A 70 GLU HA H 1 4.056 0.04 A 70 GLU HBx H 1 2.301 0.04 A 70 GLU CA C 13 58.550 0.2 A 70 GLU CB C 13 29.690 0.2 A 70 GLU N N 15 116.920 0.05 A 71 ALA H H 1 7.530 0.04 A 71 ALA HA H 1 3.367 0.04 A 71 ALA HB% H 1 1.448 0.04 A 71 ALA CA C 13 54.850 0.2 A 71 ALA CB C 13 17.760 0.2 A 71 ALA N N 15 122.950 0.05 A 72 GLU H H 1 8.540 0.04 A 72 GLU HA H 1 3.797 0.04 A 72 GLU HBx H 1 2.084 0.04 A 72 GLU CA C 13 60.000 0.2 A 72 GLU CB C 13 29.700 0.2 A 72 GLU N N 15 117.190 0.05 A 73 LYS H H 1 7.360 0.04 A 73 LYS HA H 1 4.036 0.04 A 73 LYS HBx H 1 1.827 0.04 A 73 LYS CA C 13 58.290 0.2 A 73 LYS CB C 13 31.260 0.2 A 73 LYS N N 15 119.310 0.05 A 74 VAL H H 1 7.550 0.04 A 74 VAL HA H 1 3.241 0.04 A 74 VAL HB H 1 1.568 0.04 A 74 VAL HGx% H 1 0.672 0.04 A 74 VAL HGy% H 1 0.068 0.04 A 74 VAL CA C 13 66.470 0.2 A 74 VAL CB C 13 30.690 0.2 A 74 VAL CG1 C 13 20.575 0.2 A 74 VAL CG2 C 13 21.825 0.2 A 74 VAL N N 15 119.760 0.05 A 75 PHE H H 1 7.960 0.04 A 75 PHE HA H 1 3.151 0.04 A 75 PHE HBx H 1 2.988 0.04 A 75 PHE CA C 13 62.120 0.2 A 75 PHE CB C 13 37.540 0.2 A 75 PHE N N 15 119.780 0.05 A 76 GLU H H 1 7.570 0.04 A 76 GLU HA H 1 3.602 0.04 A 76 GLU HBy H 1 2.138 0.04 A 76 GLU HBx H 1 2.068 0.04 A 76 GLU HGx H 1 2.256 0.04 A 76 GLU HGy H 1 2.612 0.04 A 76 GLU CA C 13 59.060 0.2 A 76 GLU CB C 13 28.950 0.2 A 76 GLU CG C 13 36.270 0.2 A 76 GLU N N 15 118.210 0.05 A 77 LEU H H 1 7.840 0.04 A 77 LEU HA H 1 3.972 0.04 A 77 LEU HBx H 1 1.353 0.04 A 77 LEU HBy H 1 1.735 0.04 A 77 LEU HDx% H 1 0.761 0.04 A 77 LEU HDy% H 1 0.507 0.04 A 77 LEU HG H 1 1.670 0.04 A 77 LEU CA C 13 57.490 0.2 A 77 LEU CB C 13 42.080 0.2 A 77 LEU CD1 C 13 22.450 0.2 A 77 LEU CD2 C 13 25.576 0.2 A 77 LEU N N 15 119.620 0.05 A 78 LEU H H 1 7.990 0.04 A 78 LEU HA H 1 3.783 0.04 A 78 LEU HBx H 1 0.991 0.04 A 78 LEU HBy H 1 1.348 0.04 A 78 LEU HDx% H 1 0.447 0.04 A 78 LEU HDy% H 1 0.600 0.04 A 78 LEU HG H 1 1.583 0.04 A 78 LEU CA C 13 56.580 0.2 A 78 LEU CB C 13 41.800 0.2 A 78 LEU CD1 C 13 26.201 0.2 A 78 LEU CD2 C 13 23.076 0.2 A 78 LEU N N 15 117.520 0.05 A 79 ASN H H 1 7.170 0.04 A 79 ASN HA H 1 4.258 0.04 A 79 ASN HBx H 1 1.847 0.04 A 79 ASN HBy H 1 2.349 0.04 A 79 ASN CA C 13 54.450 0.2 A 79 ASN CB C 13 40.020 0.2 A 79 ASN N N 15 115.270 0.05 A 80 ASP H H 1 7.590 0.04 A 80 ASP HA H 1 4.515 0.04 A 80 ASP HBx H 1 2.478 0.04 A 80 ASP HBy H 1 2.522 0.04 A 80 ASP CA C 13 54.590 0.2 A 80 ASP CB C 13 41.860 0.2 A 80 ASP N N 15 119.820 0.05 A 81 PHE H H 1 7.870 0.04 A 81 PHE HA H 1 4.554 0.04 A 81 PHE HBx H 1 3.082 0.04 A 81 PHE HDx H 1 7.195 0.04 A 81 PHE CA C 13 57.530 0.2 A 81 PHE CB C 13 38.270 0.2 A 81 PHE CDx C 13 131.541 0.2 A 81 PHE N N 15 119.280 0.05 A 82 LYS H H 1 8.290 0.04 A 82 LYS HA H 1 4.149 0.04 A 82 LYS HBx H 1 1.731 0.04 A 82 LYS CA C 13 57.080 0.2 A 82 LYS CB C 13 31.980 0.2 A 82 LYS N N 15 122.250 0.05 A 83 GLY H H 1 8.080 0.04 A 83 GLY HAy H 1 3.940 0.04 A 83 GLY HAx H 1 3.760 0.04 A 83 GLY CA C 13 44.910 0.2 A 83 GLY N N 15 108.480 0.05 A 84 GLY H H 1 8.170 0.04 A 84 GLY HAx H 1 3.889 0.04 A 84 GLY HAy H 1 3.889 0.04 A 84 GLY CA C 13 45.750 0.2 A 84 GLY N N 15 107.710 0.05 A 85 ILE H H 1 7.800 0.04 A 85 ILE HA H 1 3.939 0.04 A 85 ILE HB H 1 1.072 0.04 A 85 ILE HD1% H 1 0.660 0.04 A 85 ILE HG12 H 1 1.404 0.04 A 85 ILE HG21 H 1 -0.753 0.04 A 85 ILE HG22 H 1 -0.753 0.04 A 85 ILE HG23 H 1 -0.753 0.04 A 85 ILE CA C 13 61.170 0.2 A 85 ILE CB C 13 39.360 0.2 A 85 ILE CD1 C 13 13.699 0.2 A 85 ILE CG1 C 13 27.451 0.2 A 85 ILE CG2 C 13 15.574 0.2 A 85 ILE N N 15 118.980 0.05 A 86 ASP H H 1 8.580 0.04 A 86 ASP HA H 1 4.687 0.04 A 86 ASP HBx H 1 2.498 0.04 A 86 ASP HBy H 1 2.807 0.04 A 86 ASP CA C 13 51.470 0.2 A 86 ASP CB C 13 40.480 0.2 A 86 ASP N N 15 126.510 0.05 A 87 TRP H H 1 8.200 0.04 A 87 TRP HA H 1 4.077 0.04 A 87 TRP HBx H 1 3.064 0.04 A 87 TRP HBy H 1 3.476 0.04 A 87 TRP HE1 H 1 10.151 0.04 A 87 TRP HE3 H 1 7.703 0.04 A 87 TRP HH2 H 1 7.019 0.04 A 87 TRP HZ2 H 1 7.337 0.04 A 87 TRP HZ3 H 1 7.310 0.04 A 87 TRP CA C 13 59.240 0.2 A 87 TRP CB C 13 29.290 0.2 A 87 TRP CD1 C 13 127.791 0.04 A 87 TRP CE3 C 13 120.300 0.2 A 87 TRP CH2 C 13 123.570 0.2 A 87 TRP CZ2 C 13 114.200 0.2 A 87 TRP CZ3 C 13 121.700 0.2 A 87 TRP N N 15 125.250 0.05 A 87 TRP NE1 N 15 129.375 0.05 A 88 GLU H H 1 8.320 0.04 A 88 GLU HA H 1 4.154 0.04 A 88 GLU HBx H 1 2.044 0.04 A 88 GLU HBy H 1 2.044 0.04 A 88 GLU CA C 13 58.870 0.2 A 88 GLU CB C 13 29.610 0.2 A 88 GLU CG C 13 36.250 0.2 A 88 GLU N N 15 118.860 0.05 A 89 ASN H H 1 7.740 0.04 A 89 ASN HA H 1 4.678 0.04 A 89 ASN HBx H 1 2.260 0.04 A 89 ASN HBy H 1 2.632 0.04 A 89 ASN CA C 13 52.880 0.2 A 89 ASN CB C 13 38.970 0.2 A 89 ASN N N 15 113.970 0.05 A 90 LYS H H 1 7.800 0.04 A 90 LYS HA H 1 3.475 0.04 A 90 LYS HBy H 1 2.063 0.04 A 90 LYS HBx H 1 1.627 0.04 A 90 LYS CA C 13 56.730 0.2 A 90 LYS CB C 13 28.720 0.2 A 90 LYS CG C 13 24.745 0.2 A 90 LYS N N 15 117.730 0.05 A 91 ARG H H 1 7.520 0.04 A 91 ARG HA H 1 4.845 0.04 A 91 ARG CA C 13 52.790 0.2 A 91 ARG CB C 13 33.820 0.2 A 91 ARG N N 15 115.450 0.05 A 92 VAL H H 1 9.461 0.04 A 92 VAL HA H 1 4.329 0.04 A 92 VAL HB H 1 2.023 0.04 A 92 VAL HGx% H 1 0.863 0.04 A 92 VAL HGy% H 1 0.697 0.04 A 92 VAL CA C 13 61.000 0.2 A 92 VAL CB C 13 33.225 0.2 A 92 VAL CG1 C 13 20.395 0.2 A 92 VAL CG2 C 13 20.724 0.2 A 92 VAL N N 15 124.073 0.05 A 93 LYS H H 1 8.560 0.04 A 93 LYS HA H 1 4.567 0.04 A 93 LYS HBy H 1 1.709 0.04 A 93 LYS HBx H 1 1.665 0.04 A 93 LYS HGx H 1 1.310 0.04 A 93 LYS CA C 13 54.610 0.2 A 93 LYS CB C 13 34.470 0.2 A 93 LYS CG C 13 24.309 0.2 A 93 LYS N N 15 126.830 0.05 A 94 LEU H H 1 8.940 0.04 A 94 LEU HA H 1 4.429 0.04 A 94 LEU HBx H 1 1.340 0.04 A 94 LEU HBy H 1 1.659 0.04 A 94 LEU HDx% H 1 0.790 0.04 A 94 LEU HDy% H 1 0.660 0.04 A 94 LEU HG H 1 1.480 0.04 A 94 LEU CA C 13 53.530 0.2 A 94 LEU CB C 13 42.390 0.2 A 94 LEU CD1 C 13 25.600 0.2 A 94 LEU CD2 C 13 24.326 0.2 A 94 LEU N N 15 123.260 0.05 A 95 LYS H H 1 7.710 0.04 A 95 LYS HA H 1 3.897 0.04 A 95 LYS HBx H 1 1.548 0.04 A 95 LYS HBy H 1 1.656 0.04 A 95 LYS CA C 13 57.530 0.2 A 95 LYS CB C 13 33.570 0.2 A 95 LYS N N 15 125.110 0.05 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin 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 54 CYS H A 61 PHE HD% 1.0 1.8 6.00 2 2 A 54 CYS H A 60 GLU HA 1.0 1.8 5.08 3 3 A 54 CYS H A 53 LYS HA 1.0 1.8 3.15 4 4 A 54 CYS H A 54 CYS HBy 1.0 1.8 3.71 5 5 A 54 CYS H A 54 CYS HBx 1.0 1.8 3.71 6 6 A 30 ILE HA A 31 GLU H 1.0 1.8 2.97 7 7 A 31 GLU H A 30 ILE HG21 1.0 1.8 3.42 8 8 A 9 ALA HB% A 20 TRP HE1 1.0 1.8 3.61 9 9 A 20 TRP HE1 A 9 ALA HA 1.0 1.8 4.86 10 10 A 39 ASP HA A 40 ARG H 1.0 1.8 2.88 11 11 A 40 ARG H A 40 ARG HBy 1.0 1.8 3.77 12 12 A 40 ARG H A 40 ARG HBx 1.0 1.8 3.77 13 13 A 40 ARG H A 39 ASP H 1.0 1.8 3.80 14 14 A 10 LYS HA A 11 CYS H 1.0 1.8 3.07 15 15 A 11 CYS H A 11 CYS HBx 1.0 1.8 3.09 16 16 A 11 CYS H A 18 LEU HG 1.0 1.8 4.55 17 17 A 92 VAL HA A 93 LYS H 1.0 1.8 2.82 18 18 A 93 LYS H A 92 VAL HB 1.0 1.8 6.00 19 19 A 93 LYS H A 93 LYS HBx 1.0 1.8 3.85 20 20 A 52 PHE H A 62 TYR HA 1.0 1.8 4.26 21 21 A 52 PHE H A 53 LYS H 1.0 1.8 6.00 22 22 A 52 PHE H A 51 VAL HA 1.0 1.8 3.02 23 23 A 52 PHE H A 52 PHE HBx 1.0 1.8 4.00 24 24 A 52 PHE H A 51 VAL HGy% 1.0 1.8 4.62 25 25 A 8 MET HA A 9 ALA H 1.0 1.8 3.19 26 26 A 9 ALA HB% A 9 ALA H 1.0 1.8 3.48 27 27 A 85 ILE H A 86 ASP H 1.0 1.8 4.52 28 28 A 86 ASP H A 85 ILE HA 1.0 1.8 2.75 29 29 A 86 ASP H A 85 ILE HB 1.0 1.8 5.14 30 30 A 86 ASP H A 87 TRP H 1.0 1.8 4.42 31 31 A 86 ASP H A 91 ARG H 1.0 1.8 4.39 32 32 A 52 PHE H A 62 TYR HD% 1.0 1.8 5.45 33 33 A 86 ASP H A 86 ASP HBy 1.0 1.8 3.67 34 34 A 86 ASP H A 85 ILE HG21 1.0 1.8 3.49 35 35 A 86 ASP H A 86 ASP HBx 1.0 1.8 3.67 36 36 A 20 TRP H A 21 GLU H 1.0 1.8 4.14 37 37 A 20 TRP H A 19 LYS H 1.0 1.8 6.00 38 38 A 8 MET HA A 20 TRP H 1.0 1.8 4.52 39 39 A 20 TRP H A 19 LYS HA 1.0 1.8 3.31 40 40 A 20 TRP H A 19 LYS HBy 1.0 1.8 4.72 41 41 A 20 TRP H A 19 LYS HBx 1.0 1.8 4.72 42 42 A 28 LEU H A 30 ILE H 1.0 1.8 6.00 43 43 A 30 ILE H A 29 ILE H 1.0 1.8 3.49 44 44 A 30 ILE H A 33 PHE HBy 1.0 1.8 5.59 45 45 A 30 ILE H A 30 ILE HB 1.0 1.8 3.17 46 46 A 30 ILE H A 29 ILE HG21 1.0 1.8 4.21 47 47 A 30 ILE HG21 A 30 ILE H 1.0 1.8 4.47 48 48 A 30 ILE H A 30 ILE HD1% 1.0 1.8 3.99 49 49 A 87 TRP H A 89 ASN H 1.0 1.8 4.62 50 50 A 87 TRP H A 86 ASP HA 1.0 1.8 2.92 51 51 A 87 TRP H A 87 TRP HBy 1.0 1.8 3.74 52 52 A 87 TRP H A 87 TRP HBx 1.0 1.8 3.74 53 53 A 87 TRP H A 85 ILE HG21 1.0 1.8 6.00 54 54 A 94 LEU H A 95 LYS H 1.0 1.8 4.10 55 55 A 95 LYS H A 94 LEU HA 1.0 1.8 2.97 56 56 A 50 PHE HA A 51 VAL H 1.0 1.8 2.83 57 57 A 51 VAL H A 51 VAL HB 1.0 1.8 3.11 58 58 A 51 VAL H A 51 VAL HGx% 1.0 1.8 4.64 59 59 A 13 ILE H A 15 GLY H 1.0 1.8 4.72 60 60 A 11 CYS HBx A 13 ILE H 1.0 1.8 4.73 61 61 A 13 ILE H A 12 PRO HDy 1.0 1.8 4.75 62 62 A 13 ILE H A 13 ILE HB 1.0 1.8 3.16 63 63 A 13 ILE H A 11 CYS HA 1.0 1.8 5.57 64 64 A 13 ILE H A 12 PRO HDx 1.0 1.8 4.75 65 65 A 13 ILE H A 13 ILE HD1% 1.0 1.8 3.60 66 66 A 65 THR H A 66 LEU H 1.0 1.8 3.22 67 67 A 66 LEU H A 66 LEU HBy 1.0 1.8 3.63 68 68 A 66 LEU H A 65 THR HA 1.0 1.8 3.46 69 69 A 66 LEU H A 48 GLU HA 1.0 1.8 5.58 70 70 A 66 LEU H A 66 LEU HBx 1.0 1.8 3.63 71 71 A 51 VAL H A 50 PHE H 1.0 1.8 4.62 72 72 A 66 LEU H A 63 GLY HAx 1.0 1.8 5.49 73 73 A 66 LEU H A 64 LYS HA 1.0 1.8 4.38 74 74 A 50 PHE H A 47 VAL HA 1.0 1.8 4.49 75 75 A 50 PHE H A 50 PHE HBy 1.0 1.8 3.15 76 76 A 50 PHE H A 50 PHE HBx 1.0 1.8 3.15 77 77 A 50 PHE H A 47 VAL HGx% 1.0 1.8 6.00 78 78 A 9 ALA H A 18 LEU H 1.0 1.8 4.41 79 79 A 18 LEU H A 17 PRO HA 1.0 1.8 2.79 80 80 A 9 ALA HB% A 18 LEU H 1.0 1.8 5.11 81 81 A 18 LEU H A 17 PRO HDy 1.0 1.8 6.00 82 82 A 18 LEU HG A 18 LEU H 1.0 1.8 3.99 83 83 A 18 LEU H A 18 LEU HDx% 1.0 1.8 5.51 84 84 A 56 VAL H A 56 VAL HB 1.0 1.8 3.20 85 85 A 56 VAL H A 57 CYS H 1.0 1.8 3.07 86 86 A 68 ARG HA A 71 ALA H 1.0 1.8 3.95 87 87 A 71 ALA H A 71 ALA HB% 1.0 1.8 2.94 88 88 A 56 VAL HB A 57 CYS H 1.0 1.8 3.18 89 89 A 19 LYS H A 18 LEU HA 1.0 1.8 2.95 90 90 A 39 ASP H A 37 VAL HA 1.0 1.8 4.10 91 91 A 39 ASP H A 39 ASP HBy 1.0 1.8 3.94 92 92 A 39 ASP H A 39 ASP HBx 1.0 1.8 3.94 93 93 A 39 ASP H A 37 VAL HB 1.0 1.8 6.00 94 94 A 36 ILE H A 37 VAL H 1.0 1.8 3.59 95 95 A 36 ILE H A 33 PHE HA 1.0 1.8 3.70 96 96 A 36 ILE H A 36 ILE HD1% 1.0 1.8 3.22 97 97 A 36 ILE H A 37 VAL HGx% 1.0 1.8 6.00 98 98 A 36 ILE H A 37 VAL HGy% 1.0 1.8 6.00 99 99 A 43 PHE H A 43 PHE HBy 1.0 1.8 3.31 100 100 A 43 PHE H A 42 ARG H 1.0 1.8 3.29 101 101 A 39 ASP H A 43 PHE H 1.0 1.8 5.58 102 102 A 43 PHE H A 41 GLU H 1.0 1.8 5.97 103 103 A 43 PHE H A 43 PHE HBx 1.0 1.8 3.34 104 104 A 43 PHE H A 40 ARG HA 1.0 1.8 4.49 105 105 A 43 PHE H A 36 ILE HG21 1.0 1.8 4.64 106 106 A 9 ALA H A 10 LYS H 1.0 1.8 4.69 107 107 A 9 ALA HA A 10 LYS H 1.0 1.8 2.72 108 108 A 9 ALA HB% A 10 LYS H 1.0 1.8 3.05 109 109 A 15 GLY H A 14 CYS H 1.0 1.8 3.40 110 110 A 11 CYS HA A 14 CYS H 1.0 1.8 5.57 111 111 A 11 CYS HBx A 14 CYS H 1.0 1.8 3.83 112 112 A 13 ILE HB A 14 CYS H 1.0 1.8 3.29 113 113 A 14 CYS H A 13 ILE HG21 1.0 1.8 3.63 114 114 A 57 CYS H A 59 GLU H 1.0 1.8 5.97 115 115 A 54 CYS H A 59 GLU H 1.0 1.8 4.56 116 116 A 13 ILE HG21 A 59 GLU H 1.0 1.8 4.92 117 117 A 42 ARG H A 41 GLU H 1.0 1.8 3.12 118 118 A 33 PHE H A 35 GLU H 1.0 1.8 3.98 119 119 A 30 ILE HB A 33 PHE H 1.0 1.8 4.10 120 120 A 11 CYS H A 16 SER H 1.0 1.8 4.09 121 121 A 15 GLY H A 16 SER H 1.0 1.8 3.58 122 122 A 16 SER H A 14 CYS HA 1.0 1.8 5.48 123 123 A 11 CYS HBx A 16 SER H 1.0 1.8 3.06 124 124 A 14 CYS H A 16 SER H 1.0 1.8 4.29 125 125 A 33 PHE H A 34 GLU H 1.0 1.8 3.33 126 126 A 33 PHE H A 32 ASN H 1.0 1.8 3.43 127 127 A 33 PHE H A 87 TRP HH2 1.0 1.8 5.93 128 128 A 33 PHE H A 33 PHE HBx 1.0 1.8 3.20 129 129 A 33 PHE HBy A 33 PHE H 1.0 1.8 2.94 130 130 A 30 ILE HG21 A 33 PHE H 1.0 1.8 3.52 131 131 A 44 LEU H A 45 ALA H 1.0 1.8 3.25 132 132 A 45 ALA H A 45 ALA HB% 1.0 1.8 2.60 133 133 A 45 ALA H A 44 LEU HDx% 1.0 1.8 5.29 134 134 A 45 ALA H A 44 LEU HDy% 1.0 1.8 5.29 135 135 A 45 ALA H A 45 ALA HA 1.0 1.8 2.86 136 136 A 45 ALA H A 41 GLU HA 1.0 1.8 4.26 137 137 A 42 ARG H A 45 ALA H 1.0 1.8 6.00 138 138 A 47 VAL H A 48 GLU H 1.0 1.8 3.29 139 139 A 47 VAL H A 49 GLU H 1.0 1.8 6.00 140 140 A 47 VAL H A 47 VAL HB 1.0 1.8 2.82 141 141 A 45 ALA HB% A 47 VAL H 1.0 1.8 4.63 142 142 A 47 VAL HGx% A 47 VAL H 1.0 1.8 3.83 143 143 A 47 VAL H A 47 VAL HGy% 1.0 1.8 3.22 144 144 A 74 VAL H A 75 PHE H 1.0 1.8 2.98 145 145 A 75 PHE H A 72 GLU HA 1.0 1.8 4.12 146 146 A 75 PHE H A 74 VAL HB 1.0 1.8 3.91 147 147 A 75 PHE H A 74 VAL HGx% 1.0 1.8 4.48 148 148 A 75 PHE H A 74 VAL HGy% 1.0 1.8 4.48 149 149 A 79 ASN H A 80 ASP H 1.0 1.8 2.98 150 150 A 80 ASP H A 77 LEU HA 1.0 1.8 3.63 151 151 A 80 ASP H A 78 LEU HA 1.0 1.8 4.43 152 152 A 74 VAL H A 74 VAL HB 1.0 1.8 2.94 153 153 A 74 VAL H A 74 VAL HGx% 1.0 1.8 3.94 154 154 A 74 VAL H A 74 VAL HGy% 1.0 1.8 3.94 155 155 A 79 ASN H A 77 LEU H 1.0 1.8 5.49 156 156 A 77 LEU H A 77 LEU HG 1.0 1.8 2.59 157 157 A 77 LEU H A 77 LEU HBx 1.0 1.8 3.40 158 158 A 77 LEU H A 77 LEU HDx% 1.0 1.8 3.48 159 159 A 77 LEU H A 77 LEU HDy% 1.0 1.8 3.48 160 160 A 23 LEU H A 23 LEU HBx 1.0 1.8 3.63 161 161 A 23 LEU H A 23 LEU HDx% 1.0 1.8 4.28 162 162 A 23 LEU H A 22 GLU H 1.0 1.8 3.34 163 163 A 23 LEU H A 23 LEU HG 1.0 1.8 4.32 164 164 A 23 LEU H A 23 LEU HDy% 1.0 1.8 4.28 165 165 A 80 ASP H A 81 PHE H 1.0 1.8 3.05 166 166 A 79 ASN H A 81 PHE H 1.0 1.8 4.91 167 167 A 81 PHE H A 81 PHE HA 1.0 1.8 2.86 168 168 A 23 LEU H A 23 LEU HBy 1.0 1.8 3.63 169 169 A 74 VAL H A 73 LYS H 1.0 1.8 3.03 170 170 A 85 ILE H A 84 GLY H 1.0 1.8 3.50 171 171 A 85 ILE H A 85 ILE HB 1.0 1.8 3.05 172 172 A 85 ILE H A 85 ILE HG21 1.0 1.8 4.32 173 173 A 89 ASN H A 88 GLU H 1.0 1.8 2.90 174 174 A 86 ASP HA A 88 GLU H 1.0 1.8 4.74 175 175 A 88 GLU H A 87 TRP HBy 1.0 1.8 3.95 176 176 A 88 GLU H A 87 TRP HBx 1.0 1.8 3.95 177 177 A 62 TYR HBx A 64 LYS H 1.0 1.8 3.53 178 178 A 64 LYS H A 62 TYR HBy 1.0 1.8 3.96 179 179 A 48 GLU HA A 64 LYS H 1.0 1.8 3.19 180 180 A 64 LYS H A 64 LYS HBy 1.0 1.8 3.07 181 181 A 64 LYS H A 64 LYS HBx 1.0 1.8 3.07 182 182 A 62 TYR H A 62 TYR HE% 1.0 1.8 5.55 183 183 A 62 TYR H A 61 PHE HA 1.0 1.8 3.23 184 184 A 62 TYR HBx A 62 TYR H 1.0 1.8 3.84 185 185 A 62 TYR HBy A 62 TYR H 1.0 1.8 3.88 186 186 A 62 TYR H A 65 THR HG2% 1.0 1.8 4.50 187 187 A 59 GLU HA A 60 GLU H 1.0 1.8 2.94 188 188 A 13 ILE HD1% A 60 GLU H 1.0 1.8 5.56 189 189 A 24 ILE H A 25 GLU H 1.0 1.8 3.93 190 190 A 25 GLU H A 22 GLU HA 1.0 1.8 4.21 191 191 A 25 GLU H A 23 LEU HA 1.0 1.8 4.86 192 192 A 25 GLU H A 25 GLU HBy 1.0 1.8 2.98 193 193 A 25 GLU H A 25 GLU HBx 1.0 1.8 2.98 194 194 A 25 GLU H A 24 ILE HG21 1.0 1.8 5.40 195 195 A 73 LYS HA A 76 GLU H 1.0 1.8 4.31 196 196 A 43 PHE H A 44 LEU H 1.0 1.8 3.90 197 197 A 43 PHE HBy A 44 LEU H 1.0 1.8 3.63 198 198 A 40 ARG HA A 44 LEU H 1.0 1.8 5.60 199 199 A 44 LEU H A 44 LEU HG 1.0 1.8 3.38 200 200 A 44 LEU H A 44 LEU HBy 1.0 1.8 3.67 201 201 A 44 LEU H A 44 LEU HBx 1.0 1.8 3.67 202 202 A 77 LEU H A 76 GLU H 1.0 1.8 3.18 203 203 A 79 ASN H A 76 GLU H 1.0 1.8 6.00 204 204 A 77 LEU HG A 76 GLU H 1.0 1.8 4.68 205 205 A 91 ARG H A 90 LYS H 1.0 1.8 3.29 206 206 A 90 LYS H A 90 LYS HBy 1.0 1.8 4.11 207 207 A 88 GLU H A 90 LYS H 1.0 1.8 6.00 208 208 A 90 LYS H A 87 TRP HA 1.0 1.8 4.41 209 209 A 90 LYS H A 90 LYS HA 1.0 1.8 2.78 210 210 A 90 LYS H A 90 LYS HBx 1.0 1.8 4.11 211 211 A 53 LYS H A 52 PHE HA 1.0 1.8 2.89 212 212 A 71 ALA HB% A 72 GLU H 1.0 1.8 3.43 213 213 A 53 LYS H A 52 PHE HBx 1.0 1.8 3.68 214 214 A 47 VAL H A 46 GLN H 1.0 1.8 3.22 215 215 A 45 ALA H A 46 GLN H 1.0 1.8 3.03 216 216 A 46 GLN H A 44 LEU HA 1.0 1.8 6.00 217 217 A 45 ALA HB% A 46 GLN H 1.0 1.8 2.82 218 218 A 75 PHE HA A 78 LEU H 1.0 1.8 4.56 219 219 A 77 LEU HG A 78 LEU H 1.0 1.8 2.86 220 220 A 71 ALA H A 72 GLU H 1.0 1.8 3.18 221 221 A 73 LYS H A 72 GLU H 1.0 1.8 3.12 222 222 A 53 LYS H A 52 PHE HBy 1.0 1.8 3.68 223 223 A 25 GLU H A 26 GLU H 1.0 1.8 3.78 224 224 A 28 LEU H A 26 GLU H 1.0 1.8 5.10 225 225 A 26 GLU H A 26 GLU HBy 1.0 1.8 3.03 226 226 A 26 GLU H A 26 GLU HBx 1.0 1.8 3.17 227 227 A 71 ALA HB% A 70 GLU H 1.0 1.8 4.48 228 228 A 70 GLU H A 69 ARG H 1.0 1.8 3.88 229 229 A 72 GLU H A 70 GLU H 1.0 1.8 5.61 230 230 A 71 ALA H A 70 GLU H 1.0 1.8 3.08 231 231 A 23 LEU H A 24 ILE H 1.0 1.8 3.37 232 232 A 24 ILE H A 24 ILE HG12 1.0 1.8 3.63 233 232 A 24 ILE H A 24 ILE HG13 1.0 1.8 3.63 234 233 A 24 ILE H A 24 ILE HB 1.0 1.8 3.12 235 234 A 24 ILE H A 23 LEU HBy 1.0 1.8 4.11 236 235 A 24 ILE H A 24 ILE HG12 1.0 1.8 3.63 237 235 A 24 ILE H A 24 ILE HG13 1.0 1.8 3.63 238 236 A 24 ILE H A 23 LEU HBx 1.0 1.8 4.11 239 237 A 36 ILE H A 34 GLU H 1.0 1.8 4.52 240 238 A 35 GLU H A 34 GLU H 1.0 1.8 3.26 241 239 A 34 GLU H A 32 ASN HA 1.0 1.8 4.49 242 240 A 34 GLU H A 33 PHE HBx 1.0 1.8 3.42 243 241 A 33 PHE HBy A 34 GLU H 1.0 1.8 3.79 244 242 A 34 GLU H A 37 VAL HGx% 1.0 1.8 6.00 245 243 A 34 GLU H A 37 VAL HGy% 1.0 1.8 6.00 246 244 A 21 GLU H A 22 GLU H 1.0 1.8 4.05 247 245 A 60 GLU HA A 61 PHE H 1.0 1.8 2.95 248 246 A 61 PHE H A 52 PHE HBy 1.0 1.8 5.61 249 247 A 61 PHE H A 52 PHE HBx 1.0 1.8 5.61 250 248 A 91 ARG H A 90 LYS HA 1.0 1.8 3.36 251 249 A 91 ARG H A 86 ASP HBy 1.0 1.8 4.10 252 250 A 79 ASN H A 78 LEU H 1.0 1.8 3.10 253 251 A 79 ASN H A 78 LEU HBy 1.0 1.8 4.01 254 252 A 79 ASN H A 78 LEU HBx 1.0 1.8 4.01 255 253 A 69 ARG H A 70 GLU HA 1.0 1.8 5.64 256 254 A 45 ALA HA A 48 GLU H 1.0 1.8 3.91 257 255 A 48 GLU H A 64 LYS H 1.0 1.8 5.68 258 256 A 48 GLU H A 47 VAL HB 1.0 1.8 4.20 259 257 A 45 ALA HB% A 48 GLU H 1.0 1.8 4.88 260 258 A 47 VAL HGx% A 48 GLU H 1.0 1.8 3.86 261 259 A 40 ARG H A 41 GLU H 1.0 1.8 3.63 262 260 A 39 ASP HA A 41 GLU H 1.0 1.8 4.66 263 261 A 41 GLU H A 41 GLU HBy 1.0 1.8 2.92 264 262 A 41 GLU H A 41 GLU HBx 1.0 1.8 2.92 265 263 A 41 GLU H A 40 ARG HBy 1.0 1.8 4.21 266 264 A 41 GLU H A 40 ARG HBx 1.0 1.8 4.21 267 265 A 89 ASN H A 90 LYS HA 1.0 1.8 6.00 268 266 A 89 ASN H A 89 ASN HBy 1.0 1.8 3.68 269 267 A 89 ASN H A 89 ASN HBx 1.0 1.8 3.68 270 268 A 89 ASN H A 88 GLU HBy 1.0 1.8 3.84 271 269 A 89 ASN H A 88 GLU HBx 1.0 1.8 3.84 272 270 A 35 GLU H A 38 LYS H 1.0 1.8 5.68 273 271 A 26 GLU HBx A 27 MET H 1.0 1.8 3.40 274 272 A 27 MET H A 27 MET HBy 1.0 1.8 3.95 275 273 A 28 LEU H A 27 MET H 1.0 1.8 3.38 276 274 A 28 LEU H A 26 GLU HA 1.0 1.8 6.00 277 275 A 28 LEU H A 28 LEU HBy 1.0 1.8 3.38 278 276 A 28 LEU H A 28 LEU HBx 1.0 1.8 3.38 279 277 A 28 LEU H A 24 ILE HG21 1.0 1.8 5.18 280 278 A 28 LEU H A 30 ILE HD1% 1.0 1.8 6.00 281 279 A 39 ASP H A 38 LYS H 1.0 1.8 2.84 282 280 A 38 LYS H A 35 GLU HA 1.0 1.8 4.92 283 281 A 38 LYS H A 37 VAL HGy% 1.0 1.8 4.52 284 282 A 26 GLU H A 27 MET H 1.0 1.8 3.72 285 283 A 27 MET H A 24 ILE HA 1.0 1.8 4.29 286 284 A 26 GLU HBy A 27 MET H 1.0 1.8 4.38 287 285 A 27 MET H A 27 MET HBx 1.0 1.8 3.95 288 286 A 37 VAL H A 33 PHE HD% 1.0 1.8 4.51 289 287 A 37 VAL H A 38 LYS H 1.0 1.8 3.87 290 288 A 37 VAL H A 33 PHE HA 1.0 1.8 6.00 291 289 A 37 VAL H A 36 ILE HB 1.0 1.8 3.45 292 290 A 37 VAL HB A 37 VAL H 1.0 1.8 3.74 293 291 A 37 VAL H A 36 ILE HG21 1.0 1.8 4.04 294 292 A 48 GLU H A 49 GLU H 1.0 1.8 3.36 295 293 A 49 GLU H A 46 GLN HA 1.0 1.8 4.03 296 294 A 64 LYS H A 63 GLY H 1.0 1.8 4.11 297 295 A 50 PHE H A 63 GLY H 1.0 1.8 6.00 298 296 A 62 TYR HD% A 63 GLY H 1.0 1.8 4.52 299 297 A 62 TYR HA A 63 GLY H 1.0 1.8 2.90 300 298 A 51 VAL HA A 63 GLY H 1.0 1.8 4.67 301 299 A 62 TYR HBx A 63 GLY H 1.0 1.8 4.18 302 300 A 62 TYR HBy A 63 GLY H 1.0 1.8 5.06 303 301 A 57 CYS H A 58 GLY H 1.0 1.8 3.12 304 302 A 59 GLU H A 58 GLY H 1.0 1.8 3.54 305 303 A 15 GLY H A 13 ILE HB 1.0 1.8 4.54 306 304 A 56 VAL HB A 58 GLY H 1.0 1.8 4.98 307 305 A 29 ILE H A 27 MET H 1.0 1.8 5.98 308 306 A 29 ILE H A 27 MET HA 1.0 1.8 5.77 309 307 A 29 ILE H A 29 ILE HB 1.0 1.8 3.37 310 308 A 65 THR H A 65 THR HB 1.0 1.8 3.70 311 309 A 84 GLY H A 93 LYS HBx 1.0 1.8 5.02 312 310 A 84 GLY H A 93 LYS HBy 1.0 1.8 5.02 313 311 A 84 GLY H A 85 ILE HD1% 1.0 1.8 4.86 314 312 A 65 THR H A 63 GLY HAx 1.0 1.8 6.00 315 313 A 65 THR H A 48 GLU HA 1.0 1.8 6.00 316 314 A 65 THR H A 62 TYR HBx 1.0 1.8 5.81 317 315 A 65 THR H A 62 TYR HBy 1.0 1.8 4.71 318 316 A 65 THR H A 65 THR HG2% 1.0 1.8 3.12 319 317 A 28 LEU H A 29 ILE H 1.0 1.8 3.57 320 318 A 15 GLY H A 16 SER HA 1.0 1.8 5.84 321 319 A 58 GLY H A 55 PRO HA 1.0 1.8 6.00 322 320 A 56 VAL H A 58 GLY H 1.0 1.8 3.74 323 321 A 54 CYS H A 58 GLY H 1.0 1.8 5.70 324 322 A 47 VAL HGx% A 63 GLY H 1.0 1.8 5.08 325 323 A 45 ALA HB% A 49 GLU H 1.0 1.8 5.49 326 324 A 47 VAL HGx% A 49 GLU H 1.0 1.8 6.00 327 325 A 39 ASP HA A 38 LYS H 1.0 1.8 6.00 328 326 A 38 LYS H A 36 ILE HA 1.0 1.8 4.84 329 327 A 25 GLU H A 27 MET H 1.0 1.8 6.00 330 328 A 48 GLU H A 49 GLU HA 1.0 1.8 6.00 331 329 A 64 LYS HA A 48 GLU H 1.0 1.8 6.00 332 330 A 71 ALA H A 69 ARG H 1.0 1.8 6.00 333 331 A 36 ILE H A 35 GLU H 1.0 1.8 2.71 334 332 A 79 ASN H A 80 ASP HA 1.0 1.8 5.24 335 333 A 35 GLU H A 32 ASN HA 1.0 1.8 4.84 336 334 A 51 VAL HA A 61 PHE H 1.0 1.8 5.46 337 335 A 30 ILE HG21 A 34 GLU H 1.0 1.8 6.00 338 336 A 36 ILE HD1% A 34 GLU H 1.0 1.8 6.00 339 337 A 22 GLU H A 24 ILE H 1.0 1.8 5.69 340 338 A 21 GLU H A 19 LYS HA 1.0 1.8 5.88 341 339 A 21 GLU H A 94 LEU HG 1.0 1.8 6.00 342 340 A 44 LEU H A 47 VAL HGy% 1.0 1.8 6.00 343 341 A 77 LEU HBx A 76 GLU H 1.0 1.8 5.86 344 342 A 76 GLU H A 77 LEU HDy% 1.0 1.8 6.00 345 343 A 62 TYR H A 51 VAL HGy% 1.0 1.8 6.00 346 344 A 51 VAL HA A 62 TYR H 1.0 1.8 5.94 347 345 A 64 LYS H A 62 TYR H 1.0 1.8 5.88 348 346 A 62 TYR HA A 64 LYS H 1.0 1.8 4.82 349 347 A 75 PHE H A 73 LYS H 1.0 1.8 4.74 350 348 A 74 VAL H A 72 GLU H 1.0 1.8 5.07 351 349 A 13 ILE HB A 16 SER H 1.0 1.8 6.00 352 350 A 56 VAL HB A 16 SER H 1.0 1.8 6.00 353 351 A 42 ARG H A 36 ILE HG21 1.0 1.8 5.49 354 352 A 42 ARG H A 43 PHE HBx 1.0 1.8 5.61 355 353 A 11 CYS H A 14 CYS H 1.0 1.8 6.00 356 354 A 36 ILE H A 33 PHE HBx 1.0 1.8 5.73 357 355 A 19 LYS H A 18 LEU H 1.0 1.8 6.00 358 356 A 19 LYS H A 22 GLU H 1.0 1.8 6.00 359 357 A 94 LEU H A 94 LEU HDy% 1.0 1.8 6.00 360 358 A 56 VAL H A 57 CYS HA 1.0 1.8 6.00 361 359 A 66 LEU H A 47 VAL HGx% 1.0 1.8 5.98 362 360 A 50 PHE H A 49 GLU H 1.0 1.8 3.06 363 361 A 30 ILE H A 29 ILE HB 1.0 1.8 4.70 364 362 A 31 GLU H A 30 ILE H 1.0 1.8 5.48 365 363 A 20 TRP H A 22 GLU H 1.0 1.8 5.17 366 364 A 11 CYS H A 13 ILE H 1.0 1.8 5.80 367 365 A 40 ARG H A 75 PHE HA 1.0 1.8 6.00 368 366 A 20 TRP HE1 A 20 TRP HA 1.0 1.8 6.00 369 367 A 20 TRP HE1 A 70 GLU HA 1.0 1.8 6.00 370 368 A 11 CYS H A 15 GLY H 1.0 1.8 4.50 371 369 A 11 CYS H A 10 LYS H 1.0 1.8 4.18 372 370 A 23 LEU HG A 26 GLU H 1.0 1.8 6.00 373 371 A 52 PHE H A 51 VAL H 1.0 1.8 5.56 374 372 A 62 TYR H A 63 GLY H 1.0 1.8 4.97 375 373 A 66 LEU H A 63 GLY H 1.0 1.8 5.65 376 374 A 87 TRP H A 87 TRP HE1 1.0 1.8 6.00 377 375 A 43 PHE H A 45 ALA H 1.0 1.8 6.00 378 376 A 13 ILE HD1% A 62 TYR H 1.0 1.8 6.00 379 377 A 21 GLU H A 23 LEU H 1.0 1.8 6.00 380 378 A 52 PHE H A 63 GLY H 1.0 1.8 6.00 381 379 A 23 LEU H A 20 TRP HA 1.0 1.8 5.53 382 380 A 31 GLU H A 31 GLU HA 1.0 1.8 2.94 383 381 A 28 LEU HA A 33 PHE HE% 1.0 1.8 4.49 384 382 A 94 LEU H A 93 LYS HA 1.0 1.8 3.18 385 383 A 74 VAL H A 71 ALA HA 1.0 1.8 4.41 386 384 A 10 LYS HA A 18 LEU H 1.0 1.8 5.65 387 385 A 29 ILE H A 29 ILE HG21 1.0 1.8 3.98 388 386 A 30 ILE HG21 A 32 ASN H 1.0 1.8 4.88 389 387 A 47 VAL HA A 47 VAL HGy% 1.0 1.8 3.53 390 388 A 36 ILE HG21 A 36 ILE HA 1.0 1.8 4.16 391 389 A 65 THR HA A 65 THR HG2% 1.0 1.8 3.43 392 390 A 13 ILE HG21 A 13 ILE HA 1.0 1.8 3.01 393 391 A 36 ILE HG21 A 43 PHE HA 1.0 1.8 3.89 394 392 A 30 ILE HA A 29 ILE HB 1.0 1.8 5.32 395 393 A 24 ILE HA A 24 ILE HD1% 1.0 1.8 2.81 396 394 A 24 ILE HG21 A 24 ILE HA 1.0 1.8 3.05 397 395 A 30 ILE HA A 30 ILE HG21 1.0 1.8 3.30 398 396 A 30 ILE HG21 A 33 PHE HA 1.0 1.8 4.72 399 397 A 92 VAL HA A 92 VAL HGy% 1.0 1.8 3.59 400 398 A 29 ILE HG21 A 29 ILE HA 1.0 1.8 2.85 401 399 A 92 VAL HB A 21 GLU HA 1.0 1.8 4.92 402 400 A 25 GLU HA A 92 VAL HGy% 1.0 1.8 5.02 403 401 A 45 ALA HB% A 42 ARG HA 1.0 1.8 3.24 404 402 A 41 GLU HA A 44 LEU HBy 1.0 1.8 5.12 405 403 A 23 LEU HA A 23 LEU HDx% 1.0 1.8 4.71 406 404 A 44 LEU HG A 44 LEU HA 1.0 1.8 3.38 407 405 A 47 VAL HB A 44 LEU HA 1.0 1.8 3.62 408 406 A 77 LEU HA A 77 LEU HBy 1.0 1.8 2.71 409 407 A 78 LEU HA A 78 LEU HDy% 1.0 1.8 4.22 410 408 A 74 VAL HB A 71 ALA HA 1.0 1.8 4.14 411 409 A 18 LEU HA A 18 LEU HDy% 1.0 1.8 4.82 412 410 A 92 VAL HA A 92 VAL HGx% 1.0 1.8 3.59 413 411 A 13 ILE HD1% A 13 ILE HA 1.0 1.8 4.71 414 412 A 13 ILE HB A 13 ILE HD1% 1.0 1.8 3.77 415 413 A 85 ILE HG21 A 85 ILE HD1% 1.0 1.8 3.47 416 414 A 30 ILE HB A 30 ILE HD1% 1.0 1.8 3.55 417 415 A 33 PHE HA A 36 ILE HD1% 1.0 1.8 3.78 418 416 A 36 ILE HD1% A 33 PHE HD% 1.0 1.8 3.84 419 417 A 85 ILE H A 85 ILE HD1% 1.0 1.8 4.75 420 418 A 30 ILE HD1% A 27 MET H 1.0 1.8 5.03 421 419 A 85 ILE HA A 85 ILE HD1% 1.0 1.8 4.17 422 420 A 30 ILE HA A 30 ILE HD1% 1.0 1.8 4.31 423 421 A 36 ILE HD1% A 36 ILE HA 1.0 1.8 4.70 424 422 A 36 ILE HD1% A 33 PHE HBx 1.0 1.8 4.83 425 423 A 36 ILE HD1% A 36 ILE HB 1.0 1.8 2.97 426 424 A 29 ILE H A 29 ILE HD1% 1.0 1.8 4.63 427 425 A 37 VAL H A 36 ILE HD1% 1.0 1.8 5.49 428 426 A 30 ILE HG21 A 33 PHE HD% 1.0 1.8 4.59 429 427 A 43 PHE HA A 36 ILE HG12 1.0 1.8 4.39 430 427 A 43 PHE HA A 36 ILE HG1y 1.0 1.8 4.39 431 428 A 71 ALA HB% A 73 LYS H 1.0 1.8 4.63 432 429 A 71 ALA HB% A 20 TRP HH2 1.0 1.8 5.45 433 430 A 71 ALA HB% A 44 LEU HA 1.0 1.8 6.00 434 431 A 29 ILE HG21 A 29 ILE HG12 1.0 1.8 3.27 435 431 A 29 ILE HG21 A 29 ILE HG13 1.0 1.8 3.27 436 432 A 13 ILE HG21 A 14 CYS HA 1.0 1.8 5.00 437 433 A 24 ILE HG21 A 33 PHE HE% 1.0 1.8 3.68 438 434 A 24 ILE HG21 A 27 MET H 1.0 1.8 4.54 439 435 A 24 ILE H A 24 ILE HG21 1.0 1.8 5.16 440 436 A 44 LEU H A 45 ALA HB% 1.0 1.8 5.02 441 437 A 9 ALA HB% A 20 TRP HZ2 1.0 1.8 5.45 442 438 A 33 PHE HD% A 37 VAL HGy% 1.0 1.8 4.24 443 439 A 87 TRP HH2 A 37 VAL HGy% 1.0 1.8 4.87 444 440 A 25 GLU HA A 92 VAL HGx% 1.0 1.8 5.02 445 441 A 52 PHE H A 51 VAL HGx% 1.0 1.8 4.62 446 442 A 62 TYR HE% A 51 VAL HGx% 1.0 1.8 4.28 447 443 A 51 VAL H A 51 VAL HGy% 1.0 1.8 4.64 448 444 A 60 GLU HA A 51 VAL HGy% 1.0 1.8 4.16 449 445 A 51 VAL HA A 51 VAL HGy% 1.0 1.8 3.55 450 446 A 63 GLY HAx A 47 VAL HGx% 1.0 1.8 4.49 451 447 A 47 VAL HA A 47 VAL HGx% 1.0 1.8 3.44 452 448 A 62 TYR HD% A 51 VAL HGx% 1.0 1.8 4.24 453 449 A 51 VAL HA A 51 VAL HGx% 1.0 1.8 3.55 454 450 A 24 ILE HD1% A 74 VAL HGy% 1.0 1.8 5.04 455 451 A 66 LEU H A 65 THR HG2% 1.0 1.8 5.46 456 452 A 76 GLU H A 77 LEU HDx% 1.0 1.8 6.00 457 453 A 43 PHE HE% A 77 LEU HDx% 1.0 1.8 4.29 458 454 A 43 PHE HD% A 77 LEU HDx% 1.0 1.8 5.60 459 455 A 35 GLU H A 37 VAL HGx% 1.0 1.8 5.11 460 456 A 38 LYS H A 37 VAL HGx% 1.0 1.8 4.52 461 457 A 62 TYR HBx A 65 THR HG2% 1.0 1.8 4.53 462 458 A 62 TYR HBy A 65 THR HG2% 1.0 1.8 3.84 463 459 A 74 VAL HA A 77 LEU HDx% 1.0 1.8 3.81 464 460 A 18 LEU H A 18 LEU HDy% 1.0 1.8 5.51 465 461 A 48 GLU H A 47 VAL HGy% 1.0 1.8 4.24 466 462 A 77 LEU HBy A 77 LEU HDy% 1.0 1.8 2.91 467 463 A 94 LEU H A 94 LEU HDx% 1.0 1.8 6.00 468 464 A 78 LEU HA A 78 LEU HDx% 1.0 1.8 4.22 469 465 A 78 LEU HDx% A 78 LEU HBy 1.0 1.8 3.38 470 466 A 78 LEU HBx A 78 LEU HDx% 1.0 1.8 3.38 471 467 A 29 ILE HG21 A 29 ILE HG12 1.0 1.8 3.27 472 467 A 29 ILE HG21 A 29 ILE HG13 1.0 1.8 3.27 473 468 A 24 ILE HD1% A 74 VAL HGx% 1.0 1.8 5.04 474 469 A 33 PHE HE% A 24 ILE HD1% 1.0 1.8 4.49 475 470 A 24 ILE HD1% A 43 PHE HE% 1.0 1.8 3.85 476 471 A 24 ILE H A 24 ILE HD1% 1.0 1.8 6.00 477 472 A 74 VAL HA A 74 VAL HGy% 1.0 1.8 3.46 478 473 A 74 VAL HA A 77 LEU HDy% 1.0 1.8 3.81 479 474 A 74 VAL HA A 74 VAL HGx% 1.0 1.8 3.46 480 475 A 77 LEU H A 74 VAL HA 1.0 1.8 4.10 481 476 A 37 VAL HA A 36 ILE HG21 1.0 1.8 3.79 482 477 A 23 LEU HG A 20 TRP HA 1.0 1.8 5.18 483 478 A 22 GLU H A 20 TRP HA 1.0 1.8 4.76 484 479 A 9 ALA HB% A 20 TRP HA 1.0 1.8 5.25 485 480 A 92 VAL HA A 85 ILE HA 1.0 1.8 3.54 486 481 A 24 ILE HD1% A 21 GLU HA 1.0 1.8 5.39 487 482 A 74 VAL H A 72 GLU HA 1.0 1.8 5.48 488 483 A 72 GLU HA A 76 GLU H 1.0 1.8 5.81 489 484 A 43 PHE HBx A 40 ARG HA 1.0 1.8 5.32 490 485 A 43 PHE HBy A 40 ARG HA 1.0 1.8 4.00 491 486 A 79 ASN H A 76 GLU HA 1.0 1.8 3.90 492 487 A 34 GLU HA A 87 TRP HZ2 1.0 1.8 3.32 493 488 A 87 TRP HH2 A 34 GLU HA 1.0 1.8 3.93 494 489 A 85 ILE HG21 A 87 TRP HA 1.0 1.8 4.85 495 490 A 44 LEU H A 41 GLU HA 1.0 1.8 5.17 496 491 A 33 PHE H A 31 GLU HA 1.0 1.8 3.73 497 492 A 72 GLU H A 69 ARG HA 1.0 1.8 4.21 498 493 A 62 TYR HA A 51 VAL HA 1.0 1.8 3.59 499 494 A 23 LEU HA A 23 LEU HDy% 1.0 1.8 4.71 500 495 A 47 VAL HGy% A 44 LEU HA 1.0 1.8 4.30 501 496 A 45 ALA HB% A 44 LEU HA 1.0 1.8 5.14 502 497 A 48 GLU HA A 64 LYS HA 1.0 1.8 3.22 503 498 A 64 LYS HA A 65 THR HG2% 1.0 1.8 5.18 504 499 A 79 ASN H A 77 LEU HA 1.0 1.8 4.64 505 500 A 54 CYS HA A 18 LEU HDy% 1.0 1.8 5.20 506 501 A 54 CYS HA A 18 LEU HDx% 1.0 1.8 5.20 507 502 A 30 ILE HD1% A 27 MET HA 1.0 1.8 4.85 508 503 A 26 GLU HBx A 27 MET HA 1.0 1.8 4.37 509 504 A 27 MET HA A 28 LEU HA 1.0 1.8 5.18 510 505 A 78 LEU HA A 81 PHE H 1.0 1.8 6.00 511 506 A 30 ILE H A 28 LEU HA 1.0 1.8 5.17 512 507 A 11 CYS HA A 12 PRO HDy 1.0 1.8 3.50 513 508 A 8 MET HA A 19 LYS HA 1.0 1.8 4.73 514 509 A 71 ALA HA A 20 TRP HZ2 1.0 1.8 5.66 515 510 A 70 GLU H A 71 ALA HA 1.0 1.8 6.00 516 511 A 45 ALA HA A 47 VAL H 1.0 1.8 5.87 517 512 A 71 ALA HA A 20 TRP HH2 1.0 1.8 5.10 518 513 A 60 GLU HA A 51 VAL HGx% 1.0 1.8 4.16 519 514 A 60 GLU HA A 53 LYS HA 1.0 1.8 3.78 520 515 A 94 LEU HA A 95 LYS HA 1.0 1.8 4.71 521 516 A 18 LEU HG A 18 LEU HA 1.0 1.8 3.98 522 517 A 18 LEU HA A 18 LEU HDx% 1.0 1.8 4.82 523 518 A 11 CYS HA A 12 PRO HDx 1.0 1.8 3.50 524 519 A 63 GLY HAx A 52 PHE HE% 1.0 1.8 3.97 525 520 A 52 PHE HE% A 63 GLY HAy 1.0 1.8 3.87 526 521 A 47 VAL HGx% A 63 GLY HAy 1.0 1.8 4.53 527 522 A 77 LEU HBy A 77 LEU HDx% 1.0 1.8 2.91 528 523 A 78 LEU HBx A 78 LEU HDy% 1.0 1.8 3.38 529 524 A 78 LEU HBy A 78 LEU HDy% 1.0 1.8 3.38 530 525 A 52 PHE H A 52 PHE HBy 1.0 1.8 4.00 531 526 A 91 ARG H A 86 ASP HBx 1.0 1.8 4.10 532 527 A 41 GLU HA A 44 LEU HBx 1.0 1.8 5.12 533 528 A 80 ASP H A 79 ASN HBy 1.0 1.8 4.26 534 529 A 80 ASP H A 79 ASN HBx 1.0 1.8 4.26 535 530 A 85 ILE HB A 85 ILE HD1% 1.0 1.8 3.25 536 531 A 30 ILE HB A 33 PHE HBx 1.0 1.8 5.26 537 532 A 33 PHE HBx A 36 ILE HB 1.0 1.8 5.85 538 533 A 33 PHE HBy A 30 ILE HB 1.0 1.8 4.06 539 534 A 30 ILE HG21 A 33 PHE HBy 1.0 1.8 5.97 540 535 A 30 ILE HG21 A 33 PHE HBx 1.0 1.8 5.55 541 536 A 43 PHE HBx A 44 LEU H 1.0 1.8 5.68 542 537 A 48 GLU HA A 48 GLU HGy 1.0 1.8 3.72 543 538 A 36 ILE H A 36 ILE HB 1.0 1.8 3.80 544 539 A 33 PHE HA A 36 ILE HB 1.0 1.8 3.76 545 540 A 48 GLU HA A 48 GLU HGx 1.0 1.8 3.72 546 541 A 60 GLU HA A 60 GLU HGy 1.0 1.8 3.96 547 542 A 60 GLU H A 60 GLU HGy 1.0 1.8 4.87 548 543 A 60 GLU H A 60 GLU HGx 1.0 1.8 4.87 549 544 A 93 LYS H A 93 LYS HBy 1.0 1.8 3.85 550 545 A 25 GLU H A 24 ILE HB 1.0 1.8 5.38 551 546 A 92 VAL HB A 25 GLU HA 1.0 1.8 5.09 552 547 A 18 LEU H A 17 PRO HBx 1.0 1.8 4.56 553 548 A 61 PHE HD% A 13 ILE HD1% 1.0 1.8 6.00 554 549 A 13 ILE HD1% A 61 PHE HA 1.0 1.8 6.00 555 550 A 62 TYR HA A 63 GLY HAy 1.0 1.8 4.94 556 551 A 28 LEU H A 24 ILE HA 1.0 1.8 6.00 557 552 A 24 ILE HA A 33 PHE HE% 1.0 1.8 6.00 558 553 A 62 TYR H A 51 VAL HGx% 1.0 1.8 6.00 559 554 A 28 LEU H A 25 GLU HA 1.0 1.8 4.52 560 555 A 60 GLU HA A 60 GLU HGx 1.0 1.8 3.96 561 556 A 61 PHE HD% A 61 PHE HA 1.0 1.8 4.80 562 557 A 62 TYR HA A 62 TYR HD% 1.0 1.8 4.49 563 558 A 62 TYR HD% A 62 TYR HBx 1.0 1.8 3.30 564 559 A 62 TYR HD% A 51 VAL HGy% 1.0 1.8 4.24 565 560 A 47 VAL HGy% A 52 PHE HE% 1.0 1.8 5.24 566 561 A 63 GLY HAx A 52 PHE HD% 1.0 1.8 6.00 567 562 A 81 PHE HA A 81 PHE HD% 1.0 1.8 3.42 568 563 A 30 ILE HD1% A 33 PHE HD% 1.0 1.8 4.85 569 564 A 33 PHE HBx A 33 PHE HD% 1.0 1.8 3.20 570 565 A 33 PHE HD% A 37 VAL HGx% 1.0 1.8 4.24 571 566 A 33 PHE HA A 33 PHE HD% 1.0 1.8 3.23 572 567 A 47 VAL HB A 43 PHE HD% 1.0 1.8 4.52 573 568 A 43 PHE HA A 43 PHE HD% 1.0 1.8 3.42 574 569 A 43 PHE HBx A 43 PHE HD% 1.0 1.8 2.92 575 570 A 43 PHE HD% A 77 LEU HDy% 1.0 1.8 5.60 576 571 A 43 PHE HE% A 77 LEU HDy% 1.0 1.8 4.29 577 572 A 77 LEU HBx A 43 PHE HE% 1.0 1.8 6.00 578 573 A 47 VAL HGy% A 43 PHE HE% 1.0 1.8 5.31 579 574 A 54 CYS HA A 61 PHE HE% 1.0 1.8 4.39 580 575 A 30 ILE HD1% A 33 PHE HE% 1.0 1.8 4.02 581 576 A 13 ILE HD1% A 61 PHE HZ 1.0 1.8 6.00 582 577 A 87 TRP HH2 A 37 VAL HGx% 1.0 1.8 4.87 583 578 A 33 PHE HBx A 87 TRP HZ3 1.0 1.8 4.86 584 579 A 87 TRP HA A 87 TRP HE3 1.0 1.8 3.31 585 580 A 37 VAL HB A 87 TRP HZ2 1.0 1.8 5.57 586 581 A 61 PHE HD% A 61 PHE HE% 1.0 1.8 2.46 587 582 A 52 PHE HE% A 52 PHE HD% 1.0 1.8 2.49 588 583 A 43 PHE HE% A 43 PHE HD% 1.0 1.8 2.52 589 584 A 47 VAL HGy% A 52 PHE HD% 1.0 1.8 5.56 590 585 A 33 PHE HE% A 43 PHE HE% 1.0 1.8 2.46 591 586 A 71 ALA H A 20 TRP HH2 1.0 1.8 5.83 592 587 A 74 VAL H A 20 TRP HH2 1.0 1.8 6.00 593 588 A 87 TRP HH2 A 33 PHE HD% 1.0 1.8 3.59 594 589 A 62 TYR HE% A 51 VAL HGy% 1.0 1.8 4.28 595 590 A 62 TYR HD% A 62 TYR HE% 1.0 1.8 2.49 596 591 A 62 TYR HA A 62 TYR HE% 1.0 1.8 5.80 597 592 A 9 ALA H A 18 LEU HBx 1.0 1.8 5.81 598 592 A 9 ALA H A 18 LEU HBy 1.0 1.8 5.81 599 593 A 9 ALA HB% A 23 LEU HDy% 1.0 1.8 4.02 600 593 A 9 ALA HB% A 23 LEU HDx% 1.0 1.8 4.02 601 594 A 10 LYS H A 10 LYS HBx 1.0 1.8 3.59 602 594 A 10 LYS H A 10 LYS HBy 1.0 1.8 3.59 603 595 A 11 CYS H A 10 LYS HBx 1.0 1.8 3.71 604 595 A 11 CYS H A 10 LYS HBy 1.0 1.8 3.71 605 596 A 10 LYS HBx A 15 GLY HAx 1.0 1.8 4.62 606 596 A 10 LYS HBy A 15 GLY HAx 1.0 1.8 4.62 607 596 A 15 GLY HAy A 10 LYS HBx 1.0 1.8 4.62 608 596 A 10 LYS HBy A 15 GLY HAy 1.0 1.8 4.62 609 597 A 18 LEU H A 10 LYS HBx 1.0 1.8 5.81 610 597 A 18 LEU H A 10 LYS HBy 1.0 1.8 5.81 611 598 A 11 CYS H A 12 PRO HDy 1.0 1.8 5.81 612 598 A 11 CYS H A 12 PRO HDx 1.0 1.8 5.81 613 599 A 11 CYS H A 18 LEU HDy% 1.0 1.8 3.88 614 599 A 11 CYS H A 18 LEU HDx% 1.0 1.8 3.88 615 600 A 11 CYS HA A 12 PRO HDy 1.0 1.8 3.00 616 600 A 11 CYS HA A 12 PRO HDx 1.0 1.8 3.00 617 601 A 11 CYS HA A 18 LEU HDy% 1.0 1.8 4.32 618 601 A 11 CYS HA A 18 LEU HDx% 1.0 1.8 4.32 619 602 A 13 ILE H A 12 PRO HDy 1.0 1.8 3.90 620 602 A 13 ILE H A 12 PRO HDx 1.0 1.8 3.90 621 603 A 13 ILE HD1% A 12 PRO HDy 1.0 1.8 4.99 622 603 A 13 ILE HD1% A 12 PRO HDx 1.0 1.8 4.99 623 604 A 12 PRO HDx A 18 LEU HDy% 1.0 1.8 5.16 624 604 A 12 PRO HDy A 18 LEU HDy% 1.0 1.8 5.16 625 604 A 18 LEU HDx% A 12 PRO HDy 1.0 1.8 5.16 626 604 A 12 PRO HDx A 18 LEU HDx% 1.0 1.8 5.16 627 605 A 13 ILE H A 13 ILE HG12 1.0 1.8 3.28 628 605 A 13 ILE H A 13 ILE HG1y 1.0 1.8 3.28 629 606 A 13 ILE H A 15 GLY HAx 1.0 1.8 5.81 630 606 A 13 ILE H A 15 GLY HAy 1.0 1.8 5.81 631 607 A 13 ILE HG21 A 13 ILE HG12 1.0 1.8 3.09 632 607 A 13 ILE HG21 A 13 ILE HG1y 1.0 1.8 3.09 633 608 A 13 ILE HG21 A 14 CYS HBx 1.0 1.8 5.06 634 608 A 13 ILE HG21 A 14 CYS HBy 1.0 1.8 5.06 635 609 A 13 ILE HG21 A 57 CYS HBx 1.0 1.8 3.99 636 609 A 13 ILE HG21 A 57 CYS HBy 1.0 1.8 3.99 637 610 A 13 ILE HG21 A 59 GLU HBx 1.0 1.8 3.39 638 610 A 13 ILE HG21 A 59 GLU HBy 1.0 1.8 3.39 639 611 A 14 CYS H A 13 ILE HG12 1.0 1.8 4.60 640 611 A 14 CYS H A 13 ILE HG1y 1.0 1.8 4.60 641 612 A 13 ILE HG12 A 61 PHE HBx 1.0 1.8 4.05 642 612 A 13 ILE HG1y A 61 PHE HBx 1.0 1.8 4.05 643 612 A 61 PHE HBy A 13 ILE HG12 1.0 1.8 4.05 644 612 A 13 ILE HG1y A 61 PHE HBy 1.0 1.8 4.05 645 613 A 13 ILE HD1% A 59 GLU HBx 1.0 1.8 3.70 646 613 A 13 ILE HD1% A 59 GLU HBy 1.0 1.8 3.70 647 614 A 13 ILE HD1% A 61 PHE HBx 1.0 1.8 4.30 648 614 A 13 ILE HD1% A 61 PHE HBy 1.0 1.8 4.30 649 615 A 14 CYS H A 15 GLY HAx 1.0 1.8 4.87 650 615 A 14 CYS H A 15 GLY HAy 1.0 1.8 4.87 651 616 A 16 SER H A 16 SER HBx 1.0 1.8 2.88 652 616 A 16 SER H A 16 SER HBy 1.0 1.8 2.88 653 617 A 16 SER H A 56 VAL HG11 1.0 1.8 5.05 654 617 A 16 SER H A 56 VAL HGy% 1.0 1.8 5.05 655 618 A 16 SER HA A 56 VAL HG11 1.0 1.8 5.13 656 618 A 16 SER HA A 56 VAL HGy% 1.0 1.8 5.13 657 619 A 16 SER HBx A 56 VAL HG11 1.0 1.8 3.14 658 619 A 16 SER HBy A 56 VAL HG11 1.0 1.8 3.14 659 619 A 56 VAL HGy% A 16 SER HBx 1.0 1.8 3.14 660 619 A 16 SER HBy A 56 VAL HGy% 1.0 1.8 3.14 661 620 A 18 LEU H A 17 PRO HBy 1.0 1.8 3.81 662 620 A 18 LEU H A 17 PRO HBx 1.0 1.8 3.81 663 621 A 18 LEU H A 18 LEU HBx 1.0 1.8 3.65 664 621 A 18 LEU H A 18 LEU HBy 1.0 1.8 3.65 665 622 A 18 LEU H A 18 LEU HDy% 1.0 1.8 4.83 666 622 A 18 LEU H A 18 LEU HDx% 1.0 1.8 4.83 667 623 A 18 LEU HA A 18 LEU HDy% 1.0 1.8 3.43 668 623 A 18 LEU HA A 18 LEU HDx% 1.0 1.8 3.43 669 624 A 19 LYS H A 18 LEU HBx 1.0 1.8 3.19 670 624 A 19 LYS H A 18 LEU HBy 1.0 1.8 3.19 671 625 A 22 GLU H A 18 LEU HBx 1.0 1.8 5.81 672 625 A 22 GLU H A 18 LEU HBy 1.0 1.8 5.81 673 626 A 19 LYS H A 18 LEU HDy% 1.0 1.8 4.21 674 626 A 19 LYS H A 18 LEU HDx% 1.0 1.8 4.21 675 627 A 22 GLU H A 18 LEU HDy% 1.0 1.8 5.92 676 627 A 22 GLU H A 18 LEU HDx% 1.0 1.8 5.92 677 628 A 18 LEU HDy% A 23 LEU HDy% 1.0 1.8 5.68 678 628 A 18 LEU HDx% A 23 LEU HDy% 1.0 1.8 5.68 679 628 A 23 LEU HDx% A 18 LEU HDy% 1.0 1.8 5.68 680 628 A 23 LEU HDx% A 18 LEU HDx% 1.0 1.8 5.68 681 629 A 54 CYS HA A 18 LEU HDy% 1.0 1.8 4.18 682 629 A 54 CYS HA A 18 LEU HDx% 1.0 1.8 4.18 683 630 A 19 LYS H A 19 LYS HBy 1.0 1.8 3.54 684 630 A 19 LYS H A 19 LYS HBx 1.0 1.8 3.54 685 631 A 21 GLU H A 19 LYS HBy 1.0 1.8 3.21 686 631 A 21 GLU H A 19 LYS HBx 1.0 1.8 3.21 687 632 A 21 GLU HA A 19 LYS HBy 1.0 1.8 5.18 688 632 A 21 GLU HA A 19 LYS HBx 1.0 1.8 5.18 689 633 A 22 GLU H A 19 LYS HBy 1.0 1.8 3.82 690 633 A 22 GLU H A 19 LYS HBx 1.0 1.8 3.82 691 634 A 20 TRP H A 20 TRP HBx 1.0 1.8 3.02 692 634 A 20 TRP H A 20 TRP HBy 1.0 1.8 3.02 693 635 A 20 TRP H A 23 LEU HDy% 1.0 1.8 5.92 694 635 A 20 TRP H A 23 LEU HDx% 1.0 1.8 5.92 695 636 A 20 TRP H A 94 LEU HDy% 1.0 1.8 5.92 696 636 A 20 TRP H A 94 LEU HDx% 1.0 1.8 5.92 697 637 A 20 TRP HA A 23 LEU HBy 1.0 1.8 4.24 698 637 A 20 TRP HA A 23 LEU HBx 1.0 1.8 4.24 699 638 A 20 TRP HA A 23 LEU HDy% 1.0 1.8 4.16 700 638 A 20 TRP HA A 23 LEU HDx% 1.0 1.8 4.16 701 639 A 20 TRP HA A 94 LEU HDy% 1.0 1.8 5.61 702 639 A 20 TRP HA A 94 LEU HDx% 1.0 1.8 5.61 703 640 A 21 GLU H A 20 TRP HBx 1.0 1.8 4.29 704 640 A 21 GLU H A 20 TRP HBy 1.0 1.8 4.29 705 641 A 20 TRP HBx A 94 LEU HDy% 1.0 1.8 3.37 706 641 A 20 TRP HBy A 94 LEU HDy% 1.0 1.8 3.37 707 641 A 94 LEU HDx% A 20 TRP HBx 1.0 1.8 3.37 708 641 A 20 TRP HBy A 94 LEU HDx% 1.0 1.8 3.37 709 642 A 20 TRP HE1 A 70 GLU HBx 1.0 1.8 4.01 710 642 A 20 TRP HE1 A 70 GLU HBy 1.0 1.8 4.01 711 643 A 20 TRP HZ2 A 66 LEU HBy 1.0 1.8 4.82 712 643 A 20 TRP HZ2 A 66 LEU HBx 1.0 1.8 4.82 713 644 A 20 TRP HZ2 A 66 LEU HD11 1.0 1.8 4.30 714 644 A 20 TRP HZ2 A 66 LEU HD21 1.0 1.8 4.30 715 645 A 20 TRP HZ2 A 70 GLU HBx 1.0 1.8 4.23 716 645 A 20 TRP HZ2 A 70 GLU HBy 1.0 1.8 4.23 717 646 A 20 TRP HH2 A 74 VAL HGy% 1.0 1.8 5.32 718 646 A 20 TRP HH2 A 74 VAL HGx% 1.0 1.8 5.32 719 647 A 21 GLU H A 24 ILE HG12 1.0 1.8 5.81 720 647 A 21 GLU H A 24 ILE HG13 1.0 1.8 5.81 721 648 A 21 GLU H A 94 LEU HBx 1.0 1.8 5.37 722 648 A 21 GLU H A 94 LEU HBy 1.0 1.8 5.37 723 649 A 21 GLU H A 94 LEU HDy% 1.0 1.8 4.57 724 649 A 21 GLU H A 94 LEU HDx% 1.0 1.8 4.57 725 650 A 21 GLU HA A 24 ILE HG12 1.0 1.8 4.53 726 650 A 24 ILE HG13 A 21 GLU HA 1.0 1.8 4.53 727 651 A 21 GLU HA A 92 VAL HGy% 1.0 1.8 3.29 728 651 A 21 GLU HA A 92 VAL HGx% 1.0 1.8 3.29 729 652 A 21 GLU HA A 94 LEU HDy% 1.0 1.8 5.22 730 652 A 21 GLU HA A 94 LEU HDx% 1.0 1.8 5.22 731 653 A 22 GLU H A 22 GLU HBy 1.0 1.8 3.35 732 653 A 22 GLU H A 22 GLU HBx 1.0 1.8 3.35 733 654 A 22 GLU H A 23 LEU HBy 1.0 1.8 5.81 734 654 A 22 GLU H A 23 LEU HBx 1.0 1.8 5.81 735 655 A 22 GLU H A 23 LEU HDy% 1.0 1.8 5.92 736 655 A 22 GLU H A 23 LEU HDx% 1.0 1.8 5.92 737 656 A 22 GLU HA A 22 GLU HBy 1.0 1.8 2.58 738 656 A 22 GLU HA A 22 GLU HBx 1.0 1.8 2.58 739 657 A 23 LEU H A 22 GLU HBy 1.0 1.8 3.64 740 657 A 23 LEU H A 22 GLU HBx 1.0 1.8 3.64 741 658 A 23 LEU HA A 23 LEU HDy% 1.0 1.8 3.27 742 658 A 23 LEU HA A 23 LEU HDx% 1.0 1.8 3.27 743 659 A 23 LEU HBx A 23 LEU HDy% 1.0 1.8 2.86 744 659 A 23 LEU HBy A 23 LEU HDy% 1.0 1.8 2.86 745 659 A 23 LEU HDx% A 23 LEU HBy 1.0 1.8 2.86 746 659 A 23 LEU HDx% A 23 LEU HBx 1.0 1.8 2.86 747 660 A 24 ILE H A 23 LEU HBy 1.0 1.8 3.54 748 660 A 24 ILE H A 23 LEU HBx 1.0 1.8 3.54 749 661 A 26 GLU H A 23 LEU HBy 1.0 1.8 5.75 750 661 A 26 GLU H A 23 LEU HBx 1.0 1.8 5.75 751 662 A 52 PHE HE% A 23 LEU HBy 1.0 1.8 4.19 752 662 A 52 PHE HE% A 23 LEU HBx 1.0 1.8 4.19 753 663 A 24 ILE H A 23 LEU HDy% 1.0 1.8 5.92 754 663 A 24 ILE H A 23 LEU HDx% 1.0 1.8 5.92 755 664 A 23 LEU HDx% A 52 PHE HBy 1.0 1.8 3.77 756 664 A 23 LEU HDy% A 52 PHE HBy 1.0 1.8 3.77 757 664 A 52 PHE HBx A 23 LEU HDy% 1.0 1.8 3.77 758 664 A 23 LEU HDx% A 52 PHE HBx 1.0 1.8 3.77 759 665 A 52 PHE HE% A 23 LEU HDy% 1.0 1.8 4.71 760 665 A 52 PHE HE% A 23 LEU HDx% 1.0 1.8 4.71 761 666 A 52 PHE HD% A 23 LEU HDy% 1.0 1.8 4.44 762 666 A 52 PHE HD% A 23 LEU HDx% 1.0 1.8 4.44 763 667 A 53 LYS H A 23 LEU HDy% 1.0 1.8 5.47 764 667 A 53 LYS H A 23 LEU HDx% 1.0 1.8 5.47 765 668 A 23 LEU HDx% A 77 LEU HDy% 1.0 1.8 4.52 766 668 A 23 LEU HDy% A 77 LEU HDy% 1.0 1.8 4.52 767 668 A 77 LEU HDx% A 23 LEU HDy% 1.0 1.8 4.52 768 668 A 23 LEU HDx% A 77 LEU HDx% 1.0 1.8 4.52 769 669 A 24 ILE H A 24 ILE HG12 1.0 1.8 3.13 770 669 A 24 ILE H A 24 ILE HG13 1.0 1.8 3.13 771 670 A 24 ILE H A 92 VAL HGy% 1.0 1.8 4.03 772 670 A 24 ILE H A 92 VAL HGx% 1.0 1.8 4.03 773 671 A 24 ILE HB A 92 VAL HGy% 1.0 1.8 2.91 774 671 A 24 ILE HB A 92 VAL HGx% 1.0 1.8 2.91 775 672 A 24 ILE HG21 A 28 LEU HDx% 1.0 1.8 3.48 776 672 A 24 ILE HG21 A 28 LEU HD21 1.0 1.8 3.48 777 673 A 25 GLU H A 24 ILE HG12 1.0 1.8 4.73 778 673 A 25 GLU H A 24 ILE HG13 1.0 1.8 4.73 779 674 A 24 ILE HD1% A 74 VAL HGy% 1.0 1.8 4.03 780 674 A 24 ILE HD1% A 74 VAL HGx% 1.0 1.8 4.03 781 675 A 24 ILE HD1% A 92 VAL HGy% 1.0 1.8 4.57 782 675 A 24 ILE HD1% A 92 VAL HGx% 1.0 1.8 4.57 783 676 A 25 GLU H A 25 GLU HBy 1.0 1.8 2.60 784 676 A 25 GLU H A 25 GLU HBx 1.0 1.8 2.60 785 677 A 25 GLU H A 28 LEU HDx% 1.0 1.8 5.92 786 677 A 25 GLU H A 28 LEU HD21 1.0 1.8 5.92 787 678 A 25 GLU H A 92 VAL HGy% 1.0 1.8 3.98 788 678 A 25 GLU H A 92 VAL HGx% 1.0 1.8 3.98 789 679 A 25 GLU HA A 28 LEU HDx% 1.0 1.8 3.65 790 679 A 25 GLU HA A 28 LEU HD21 1.0 1.8 3.65 791 680 A 25 GLU HA A 92 VAL HGy% 1.0 1.8 3.90 792 680 A 25 GLU HA A 92 VAL HGx% 1.0 1.8 3.90 793 681 A 26 GLU H A 25 GLU HBy 1.0 1.8 4.11 794 681 A 26 GLU H A 25 GLU HBx 1.0 1.8 4.11 795 682 A 26 GLU H A 27 MET HBy 1.0 1.8 4.72 796 682 A 26 GLU H A 27 MET HBx 1.0 1.8 4.72 797 683 A 26 GLU H A 92 VAL HGy% 1.0 1.8 5.92 798 683 A 26 GLU H A 92 VAL HGx% 1.0 1.8 5.92 799 684 A 27 MET H A 27 MET HBy 1.0 1.8 3.18 800 684 A 27 MET H A 27 MET HBx 1.0 1.8 3.18 801 685 A 28 LEU H A 28 LEU HBy 1.0 1.8 2.70 802 685 A 28 LEU H A 28 LEU HBx 1.0 1.8 2.70 803 686 A 28 LEU H A 28 LEU HDx% 1.0 1.8 3.71 804 686 A 28 LEU H A 28 LEU HD21 1.0 1.8 3.71 805 687 A 28 LEU HA A 28 LEU HDx% 1.0 1.8 3.09 806 687 A 28 LEU HA A 28 LEU HD21 1.0 1.8 3.09 807 688 A 28 LEU HA A 29 ILE HG12 1.0 1.8 5.36 808 688 A 28 LEU HA A 29 ILE HG13 1.0 1.8 5.36 809 689 A 28 LEU HBy A 28 LEU HDx% 1.0 1.8 2.72 810 689 A 28 LEU HBx A 28 LEU HDx% 1.0 1.8 2.72 811 689 A 28 LEU HD21 A 28 LEU HBy 1.0 1.8 2.72 812 689 A 28 LEU HD21 A 28 LEU HBx 1.0 1.8 2.72 813 690 A 29 ILE H A 28 LEU HBy 1.0 1.8 3.80 814 690 A 29 ILE H A 28 LEU HBx 1.0 1.8 3.80 815 691 A 33 PHE HE% A 28 LEU HBy 1.0 1.8 5.22 816 691 A 33 PHE HE% A 28 LEU HBx 1.0 1.8 5.22 817 692 A 29 ILE H A 28 LEU HDx% 1.0 1.8 5.44 818 692 A 29 ILE H A 28 LEU HD21 1.0 1.8 5.44 819 693 A 30 ILE H A 28 LEU HDx% 1.0 1.8 5.92 820 693 A 30 ILE H A 28 LEU HD21 1.0 1.8 5.92 821 694 A 33 PHE HE% A 28 LEU HDx% 1.0 1.8 3.24 822 694 A 33 PHE HE% A 28 LEU HD21 1.0 1.8 3.24 823 695 A 85 ILE HG21 A 28 LEU HDx% 1.0 1.8 4.98 824 695 A 85 ILE HG21 A 28 LEU HD21 1.0 1.8 4.98 825 696 A 90 LYS H A 28 LEU HDx% 1.0 1.8 5.92 826 696 A 90 LYS H A 28 LEU HD21 1.0 1.8 5.92 827 697 A 90 LYS HA A 28 LEU HDx% 1.0 1.8 4.31 828 697 A 90 LYS HA A 28 LEU HD21 1.0 1.8 4.31 829 698 A 91 ARG H A 28 LEU HDx% 1.0 1.8 5.76 830 698 A 91 ARG H A 28 LEU HD21 1.0 1.8 5.76 831 699 A 92 VAL HB A 28 LEU HDx% 1.0 1.8 4.99 832 699 A 92 VAL HB A 28 LEU HD21 1.0 1.8 4.99 833 700 A 29 ILE H A 29 ILE HG12 1.0 1.8 2.89 834 700 A 29 ILE H A 29 ILE HG13 1.0 1.8 2.89 835 701 A 29 ILE HA A 29 ILE HG12 1.0 1.8 3.57 836 701 A 29 ILE HA A 29 ILE HG13 1.0 1.8 3.57 837 702 A 29 ILE HG21 A 29 ILE HG12 1.0 1.8 2.50 838 702 A 29 ILE HG21 A 29 ILE HG13 1.0 1.8 2.50 839 703 A 30 ILE H A 29 ILE HG12 1.0 1.8 4.99 840 703 A 30 ILE H A 29 ILE HG13 1.0 1.8 4.99 841 704 A 30 ILE H A 30 ILE HG12 1.0 1.8 3.09 842 704 A 30 ILE H A 30 ILE HG13 1.0 1.8 3.09 843 705 A 30 ILE HA A 30 ILE HG12 1.0 1.8 3.15 844 705 A 30 ILE HA A 30 ILE HG13 1.0 1.8 3.15 845 706 A 30 ILE HA A 31 GLU HBx 1.0 1.8 5.49 846 706 A 30 ILE HA A 31 GLU HBy 1.0 1.8 5.49 847 707 A 30 ILE HG21 A 32 ASN HBx 1.0 1.8 5.74 848 707 A 30 ILE HG21 A 32 ASN HBy 1.0 1.8 5.74 849 708 A 33 PHE HE% A 30 ILE HG12 1.0 1.8 5.66 850 708 A 33 PHE HE% A 30 ILE HG13 1.0 1.8 5.66 851 709 A 31 GLU H A 31 GLU HBx 1.0 1.8 2.75 852 709 A 31 GLU H A 31 GLU HBy 1.0 1.8 2.75 853 710 A 31 GLU H A 31 GLU HGx 1.0 1.8 3.80 854 710 A 31 GLU H A 31 GLU HGy 1.0 1.8 3.80 855 711 A 31 GLU HA A 31 GLU HBx 1.0 1.8 2.63 856 711 A 31 GLU HA A 31 GLU HBy 1.0 1.8 2.63 857 712 A 31 GLU HA A 31 GLU HGx 1.0 1.8 2.84 858 712 A 31 GLU HA A 31 GLU HGy 1.0 1.8 2.84 859 713 A 33 PHE H A 31 GLU HBx 1.0 1.8 5.81 860 713 A 33 PHE H A 31 GLU HBy 1.0 1.8 5.81 861 714 A 35 GLU H A 32 ASN HBx 1.0 1.8 4.88 862 714 A 35 GLU H A 32 ASN HBy 1.0 1.8 4.88 863 715 A 36 ILE H A 32 ASN HBx 1.0 1.8 5.39 864 715 A 36 ILE H A 32 ASN HBy 1.0 1.8 5.39 865 716 A 36 ILE HD1% A 32 ASN HBx 1.0 1.8 5.55 866 716 A 36 ILE HD1% A 32 ASN HBy 1.0 1.8 5.55 867 717 A 33 PHE H A 34 GLU HBx 1.0 1.8 5.34 868 717 A 33 PHE H A 34 GLU HBy 1.0 1.8 5.34 869 718 A 33 PHE H A 35 GLU HBx 1.0 1.8 5.81 870 718 A 33 PHE H A 35 GLU HBy 1.0 1.8 5.81 871 719 A 33 PHE HE% A 37 VAL HGy% 1.0 1.8 3.06 872 719 A 33 PHE HE% A 37 VAL HGx% 1.0 1.8 3.06 873 720 A 33 PHE HE% A 77 LEU HDy% 1.0 1.8 5.10 874 720 A 33 PHE HE% A 77 LEU HDx% 1.0 1.8 5.10 875 721 A 34 GLU H A 34 GLU HBx 1.0 1.8 2.80 876 721 A 34 GLU H A 34 GLU HBy 1.0 1.8 2.80 877 722 A 34 GLU H A 34 GLU HGx 1.0 1.8 3.81 878 722 A 34 GLU H A 34 GLU HGy 1.0 1.8 3.81 879 723 A 34 GLU H A 35 GLU HBx 1.0 1.8 5.81 880 723 A 34 GLU H A 35 GLU HBy 1.0 1.8 5.81 881 724 A 34 GLU HA A 37 VAL HGy% 1.0 1.8 3.63 882 724 A 34 GLU HA A 37 VAL HGx% 1.0 1.8 3.63 883 725 A 35 GLU H A 34 GLU HBx 1.0 1.8 3.51 884 725 A 35 GLU H A 34 GLU HBy 1.0 1.8 3.51 885 726 A 36 ILE H A 34 GLU HBx 1.0 1.8 5.81 886 726 A 36 ILE H A 34 GLU HBy 1.0 1.8 5.81 887 727 A 87 TRP HZ2 A 34 GLU HBx 1.0 1.8 5.39 888 727 A 87 TRP HZ2 A 34 GLU HBy 1.0 1.8 5.39 889 728 A 87 TRP HZ2 A 34 GLU HGx 1.0 1.8 5.24 890 728 A 87 TRP HZ2 A 34 GLU HGy 1.0 1.8 5.24 891 729 A 35 GLU H A 35 GLU HBx 1.0 1.8 2.79 892 729 A 35 GLU H A 35 GLU HBy 1.0 1.8 2.79 893 730 A 35 GLU H A 37 VAL HGy% 1.0 1.8 4.82 894 730 A 35 GLU H A 37 VAL HGx% 1.0 1.8 4.82 895 731 A 35 GLU HA A 35 GLU HBx 1.0 1.8 2.63 896 731 A 35 GLU HA A 35 GLU HBy 1.0 1.8 2.63 897 732 A 35 GLU HA A 38 LYS HBx 1.0 1.8 3.25 898 732 A 35 GLU HA A 38 LYS HBy 1.0 1.8 3.25 899 733 A 36 ILE H A 35 GLU HBx 1.0 1.8 3.38 900 733 A 36 ILE H A 35 GLU HBy 1.0 1.8 3.38 901 734 A 36 ILE HA A 38 LYS HBx 1.0 1.8 5.61 902 734 A 36 ILE HA A 38 LYS HBy 1.0 1.8 5.61 903 735 A 36 ILE HA A 39 ASP HBy 1.0 1.8 4.48 904 735 A 36 ILE HA A 39 ASP HBx 1.0 1.8 4.48 905 736 A 36 ILE HA A 42 ARG HBx 1.0 1.8 3.73 906 736 A 36 ILE HA A 42 ARG HBy 1.0 1.8 3.73 907 737 A 37 VAL H A 37 VAL HGy% 1.0 1.8 3.01 908 737 A 37 VAL H A 37 VAL HGx% 1.0 1.8 3.01 909 738 A 37 VAL HA A 37 VAL HGy% 1.0 1.8 2.87 910 738 A 37 VAL HA A 37 VAL HGx% 1.0 1.8 2.87 911 739 A 38 LYS H A 37 VAL HGy% 1.0 1.8 3.35 912 739 A 38 LYS H A 37 VAL HGx% 1.0 1.8 3.35 913 740 A 37 VAL HGy% A 38 LYS HBx 1.0 1.8 3.84 914 740 A 37 VAL HGx% A 38 LYS HBx 1.0 1.8 3.84 915 740 A 38 LYS HBy A 37 VAL HGy% 1.0 1.8 3.84 916 740 A 37 VAL HGx% A 38 LYS HBy 1.0 1.8 3.84 917 741 A 87 TRP HZ3 A 37 VAL HGy% 1.0 1.8 4.57 918 741 A 87 TRP HZ3 A 37 VAL HGx% 1.0 1.8 4.57 919 742 A 87 TRP HZ2 A 37 VAL HGy% 1.0 1.8 2.97 920 742 A 87 TRP HZ2 A 37 VAL HGx% 1.0 1.8 2.97 921 743 A 87 TRP HH2 A 37 VAL HGy% 1.0 1.8 3.70 922 743 A 87 TRP HH2 A 37 VAL HGx% 1.0 1.8 3.70 923 744 A 38 LYS H A 38 LYS HBx 1.0 1.8 2.85 924 744 A 38 LYS H A 38 LYS HBy 1.0 1.8 2.85 925 745 A 38 LYS H A 39 ASP HBy 1.0 1.8 4.57 926 745 A 38 LYS H A 39 ASP HBx 1.0 1.8 4.57 927 746 A 39 ASP H A 39 ASP HBy 1.0 1.8 3.24 928 746 A 39 ASP H A 39 ASP HBx 1.0 1.8 3.24 929 747 A 39 ASP H A 42 ARG HBx 1.0 1.8 5.00 930 747 A 39 ASP H A 42 ARG HBy 1.0 1.8 5.00 931 748 A 39 ASP H A 78 LEU HBy 1.0 1.8 5.81 932 748 A 39 ASP H A 78 LEU HBx 1.0 1.8 5.81 933 749 A 39 ASP H A 78 LEU HDy% 1.0 1.8 5.92 934 749 A 39 ASP H A 78 LEU HDx% 1.0 1.8 5.92 935 750 A 39 ASP HA A 78 LEU HBy 1.0 1.8 5.37 936 750 A 39 ASP HA A 78 LEU HBx 1.0 1.8 5.37 937 751 A 39 ASP HA A 78 LEU HDy% 1.0 1.8 5.18 938 751 A 39 ASP HA A 78 LEU HDx% 1.0 1.8 5.18 939 752 A 41 GLU H A 39 ASP HBy 1.0 1.8 4.98 940 752 A 41 GLU H A 39 ASP HBx 1.0 1.8 4.98 941 753 A 42 ARG H A 39 ASP HBy 1.0 1.8 3.97 942 753 A 42 ARG H A 39 ASP HBx 1.0 1.8 3.97 943 754 A 39 ASP HBy A 42 ARG HBx 1.0 1.8 2.99 944 754 A 39 ASP HBx A 42 ARG HBx 1.0 1.8 2.99 945 754 A 42 ARG HBy A 39 ASP HBy 1.0 1.8 2.99 946 754 A 39 ASP HBx A 42 ARG HBy 1.0 1.8 2.99 947 755 A 40 ARG H A 40 ARG HBy 1.0 1.8 2.93 948 755 A 40 ARG H A 40 ARG HBx 1.0 1.8 2.93 949 756 A 40 ARG H A 41 GLU HBx 1.0 1.8 5.81 950 756 A 40 ARG H A 41 GLU HBy 1.0 1.8 5.81 951 757 A 40 ARG H A 42 ARG HBx 1.0 1.8 5.81 952 757 A 40 ARG H A 42 ARG HBy 1.0 1.8 5.81 953 758 A 40 ARG H A 78 LEU HBy 1.0 1.8 4.18 954 758 A 40 ARG H A 78 LEU HBx 1.0 1.8 4.18 955 759 A 40 ARG H A 78 LEU HDy% 1.0 1.8 4.73 956 759 A 40 ARG H A 78 LEU HDx% 1.0 1.8 4.73 957 760 A 40 ARG HA A 44 LEU HDy% 1.0 1.8 4.95 958 760 A 40 ARG HA A 44 LEU HDx% 1.0 1.8 4.95 959 761 A 40 ARG HA A 78 LEU HDy% 1.0 1.8 3.45 960 761 A 40 ARG HA A 78 LEU HDx% 1.0 1.8 3.45 961 762 A 41 GLU H A 40 ARG HBy 1.0 1.8 3.45 962 762 A 41 GLU H A 40 ARG HBx 1.0 1.8 3.45 963 763 A 41 GLU H A 41 GLU HBx 1.0 1.8 2.44 964 763 A 41 GLU H A 41 GLU HBy 1.0 1.8 2.44 965 764 A 41 GLU H A 44 LEU HDy% 1.0 1.8 5.78 966 764 A 41 GLU H A 44 LEU HDx% 1.0 1.8 5.78 967 765 A 41 GLU HA A 41 GLU HBx 1.0 1.8 2.44 968 765 A 41 GLU HA A 41 GLU HBy 1.0 1.8 2.44 969 766 A 41 GLU HA A 44 LEU HBy 1.0 1.8 4.46 970 766 A 41 GLU HA A 44 LEU HBx 1.0 1.8 4.46 971 767 A 41 GLU HA A 44 LEU HDy% 1.0 1.8 4.79 972 767 A 41 GLU HA A 44 LEU HDx% 1.0 1.8 4.79 973 768 A 42 ARG H A 41 GLU HBx 1.0 1.8 4.20 974 768 A 42 ARG H A 41 GLU HBy 1.0 1.8 4.20 975 769 A 42 ARG H A 42 ARG HBx 1.0 1.8 2.64 976 769 A 42 ARG H A 42 ARG HBy 1.0 1.8 2.64 977 770 A 43 PHE H A 42 ARG HBx 1.0 1.8 3.16 978 770 A 43 PHE H A 42 ARG HBy 1.0 1.8 3.16 979 771 A 43 PHE HBy A 77 LEU HDy% 1.0 1.8 4.11 980 771 A 43 PHE HBy A 77 LEU HDx% 1.0 1.8 4.11 981 772 A 43 PHE HE% A 74 VAL HGy% 1.0 1.8 3.92 982 772 A 43 PHE HE% A 74 VAL HGx% 1.0 1.8 3.92 983 773 A 43 PHE HE% A 77 LEU HDy% 1.0 1.8 3.62 984 773 A 43 PHE HE% A 77 LEU HDx% 1.0 1.8 3.62 985 774 A 43 PHE HD% A 74 VAL HGy% 1.0 1.8 3.28 986 774 A 43 PHE HD% A 74 VAL HGx% 1.0 1.8 3.28 987 775 A 44 LEU H A 44 LEU HBy 1.0 1.8 3.03 988 775 A 44 LEU H A 44 LEU HBx 1.0 1.8 3.03 989 776 A 44 LEU H A 44 LEU HDy% 1.0 1.8 3.62 990 776 A 44 LEU H A 44 LEU HDx% 1.0 1.8 3.62 991 777 A 44 LEU H A 77 LEU HDy% 1.0 1.8 6.00 992 777 A 44 LEU H A 77 LEU HDx% 1.0 1.8 6.00 993 778 A 44 LEU HA A 44 LEU HDy% 1.0 1.8 3.00 994 778 A 44 LEU HA A 44 LEU HDx% 1.0 1.8 3.00 995 779 A 45 ALA H A 44 LEU HBy 1.0 1.8 3.08 996 779 A 45 ALA H A 44 LEU HBx 1.0 1.8 3.08 997 780 A 45 ALA H A 44 LEU HDy% 1.0 1.8 4.45 998 780 A 45 ALA H A 44 LEU HDx% 1.0 1.8 4.45 999 781 A 47 VAL H A 44 LEU HDy% 1.0 1.8 5.69 1000 781 A 47 VAL H A 44 LEU HDx% 1.0 1.8 5.69 1001 782 A 71 ALA H A 44 LEU HDy% 1.0 1.8 5.34 1002 782 A 71 ALA H A 44 LEU HDx% 1.0 1.8 5.34 1003 783 A 71 ALA HA A 44 LEU HDy% 1.0 1.8 5.21 1004 783 A 71 ALA HA A 44 LEU HDx% 1.0 1.8 5.21 1005 784 A 71 ALA HB% A 44 LEU HDy% 1.0 1.8 3.04 1006 784 A 71 ALA HB% A 44 LEU HDx% 1.0 1.8 3.04 1007 785 A 73 LYS H A 44 LEU HDy% 1.0 1.8 5.92 1008 785 A 73 LYS H A 44 LEU HDx% 1.0 1.8 5.92 1009 786 A 45 ALA H A 46 GLN HBx 1.0 1.8 4.79 1010 786 A 45 ALA H A 46 GLN HBy 1.0 1.8 4.79 1011 787 A 45 ALA HA A 48 GLU HBy 1.0 1.8 3.55 1012 787 A 45 ALA HA A 48 GLU HBx 1.0 1.8 3.55 1013 788 A 45 ALA HA A 48 GLU HGx 1.0 1.8 3.78 1014 788 A 45 ALA HA A 48 GLU HGy 1.0 1.8 3.78 1015 789 A 46 GLN H A 46 GLN HBx 1.0 1.8 2.84 1016 789 A 46 GLN H A 46 GLN HBy 1.0 1.8 2.84 1017 790 A 46 GLN HA A 46 GLN HGx 1.0 1.8 3.27 1018 790 A 46 GLN HA A 46 GLN HGy 1.0 1.8 3.27 1019 791 A 46 GLN HA A 49 GLU HGx 1.0 1.8 4.11 1020 791 A 46 GLN HA A 49 GLU HGy 1.0 1.8 4.11 1021 792 A 47 VAL H A 46 GLN HBx 1.0 1.8 3.11 1022 792 A 47 VAL H A 46 GLN HBy 1.0 1.8 3.11 1023 793 A 47 VAL H A 46 GLN HGx 1.0 1.8 4.80 1024 793 A 47 VAL H A 46 GLN HGy 1.0 1.8 4.80 1025 794 A 47 VAL HA A 50 PHE HBy 1.0 1.8 4.41 1026 794 A 47 VAL HA A 50 PHE HBx 1.0 1.8 4.41 1027 795 A 47 VAL HGx% A 48 GLU HGx 1.0 1.8 5.14 1028 795 A 47 VAL HGx% A 48 GLU HGy 1.0 1.8 5.14 1029 796 A 48 GLU H A 48 GLU HBy 1.0 1.8 3.02 1030 796 A 48 GLU H A 48 GLU HBx 1.0 1.8 3.02 1031 797 A 48 GLU H A 48 GLU HGx 1.0 1.8 3.54 1032 797 A 48 GLU H A 48 GLU HGy 1.0 1.8 3.54 1033 798 A 48 GLU HA A 48 GLU HBy 1.0 1.8 2.59 1034 798 A 48 GLU HA A 48 GLU HBx 1.0 1.8 2.59 1035 799 A 48 GLU HA A 48 GLU HGx 1.0 1.8 3.05 1036 799 A 48 GLU HA A 48 GLU HGy 1.0 1.8 3.05 1037 800 A 48 GLU HA A 64 LYS HBx 1.0 1.8 3.31 1038 800 A 48 GLU HA A 64 LYS HBy 1.0 1.8 3.31 1039 801 A 48 GLU HBx A 48 GLU HGx 1.0 1.8 2.17 1040 801 A 48 GLU HBy A 48 GLU HGx 1.0 1.8 2.17 1041 801 A 48 GLU HGy A 48 GLU HBy 1.0 1.8 2.17 1042 801 A 48 GLU HBx A 48 GLU HGy 1.0 1.8 2.17 1043 802 A 49 GLU H A 48 GLU HBy 1.0 1.8 3.22 1044 802 A 49 GLU H A 48 GLU HBx 1.0 1.8 3.22 1045 803 A 64 LYS HA A 48 GLU HBy 1.0 1.8 5.44 1046 803 A 64 LYS HA A 48 GLU HBx 1.0 1.8 5.44 1047 804 A 49 GLU H A 48 GLU HGx 1.0 1.8 4.91 1048 804 A 49 GLU H A 48 GLU HGy 1.0 1.8 4.91 1049 805 A 64 LYS H A 48 GLU HGx 1.0 1.8 4.82 1050 805 A 64 LYS H A 48 GLU HGy 1.0 1.8 4.82 1051 806 A 64 LYS HA A 48 GLU HGx 1.0 1.8 2.94 1052 806 A 64 LYS HA A 48 GLU HGy 1.0 1.8 2.94 1053 807 A 49 GLU H A 49 GLU HBx 1.0 1.8 2.85 1054 807 A 49 GLU H A 49 GLU HBy 1.0 1.8 2.85 1055 808 A 49 GLU H A 49 GLU HGx 1.0 1.8 3.67 1056 808 A 49 GLU H A 49 GLU HGy 1.0 1.8 3.67 1057 809 A 49 GLU HA A 49 GLU HBx 1.0 1.8 2.52 1058 809 A 49 GLU HA A 49 GLU HBy 1.0 1.8 2.52 1059 810 A 49 GLU HA A 49 GLU HGx 1.0 1.8 3.50 1060 810 A 49 GLU HA A 49 GLU HGy 1.0 1.8 3.50 1061 811 A 50 PHE H A 49 GLU HBx 1.0 1.8 4.02 1062 811 A 50 PHE H A 49 GLU HBy 1.0 1.8 4.02 1063 812 A 50 PHE HA A 51 VAL HGy% 1.0 1.8 4.42 1064 812 A 50 PHE HA A 51 VAL HGx% 1.0 1.8 4.42 1065 813 A 51 VAL H A 50 PHE HBy 1.0 1.8 4.36 1066 813 A 51 VAL H A 50 PHE HBx 1.0 1.8 4.36 1067 814 A 51 VAL H A 51 VAL HGy% 1.0 1.8 3.17 1068 814 A 51 VAL H A 51 VAL HGx% 1.0 1.8 3.17 1069 815 A 51 VAL HA A 51 VAL HGy% 1.0 1.8 3.06 1070 815 A 51 VAL HA A 51 VAL HGx% 1.0 1.8 3.06 1071 816 A 51 VAL HA A 52 PHE HBy 1.0 1.8 5.71 1072 816 A 51 VAL HA A 52 PHE HBx 1.0 1.8 5.71 1073 817 A 52 PHE H A 51 VAL HGy% 1.0 1.8 3.30 1074 817 A 52 PHE H A 51 VAL HGx% 1.0 1.8 3.30 1075 818 A 52 PHE HA A 51 VAL HGy% 1.0 1.8 5.05 1076 818 A 52 PHE HA A 51 VAL HGx% 1.0 1.8 5.05 1077 819 A 60 GLU H A 51 VAL HGy% 1.0 1.8 5.92 1078 819 A 60 GLU H A 51 VAL HGx% 1.0 1.8 5.92 1079 820 A 51 VAL HGx% A 60 GLU HBx 1.0 1.8 2.97 1080 820 A 51 VAL HGy% A 60 GLU HBx 1.0 1.8 2.97 1081 820 A 60 GLU HBy A 51 VAL HGy% 1.0 1.8 2.97 1082 820 A 51 VAL HGx% A 60 GLU HBy 1.0 1.8 2.97 1083 821 A 51 VAL HGy% A 60 GLU HGx 1.0 1.8 3.67 1084 821 A 51 VAL HGx% A 60 GLU HGx 1.0 1.8 3.67 1085 821 A 60 GLU HGy A 51 VAL HGy% 1.0 1.8 3.67 1086 821 A 51 VAL HGx% A 60 GLU HGy 1.0 1.8 3.67 1087 822 A 61 PHE H A 51 VAL HGy% 1.0 1.8 3.51 1088 822 A 61 PHE H A 51 VAL HGx% 1.0 1.8 3.51 1089 823 A 62 TYR HA A 51 VAL HGy% 1.0 1.8 3.84 1090 823 A 62 TYR HA A 51 VAL HGx% 1.0 1.8 3.84 1091 824 A 62 TYR HE% A 51 VAL HGy% 1.0 1.8 3.71 1092 824 A 62 TYR HE% A 51 VAL HGx% 1.0 1.8 3.71 1093 825 A 63 GLY H A 51 VAL HGy% 1.0 1.8 5.92 1094 825 A 63 GLY H A 51 VAL HGx% 1.0 1.8 5.92 1095 826 A 52 PHE H A 52 PHE HBy 1.0 1.8 3.30 1096 826 A 52 PHE H A 52 PHE HBx 1.0 1.8 3.30 1097 827 A 52 PHE H A 60 GLU HBx 1.0 1.8 4.32 1098 827 A 52 PHE H A 60 GLU HBy 1.0 1.8 4.32 1099 828 A 52 PHE HA A 53 LYS HBx 1.0 1.8 5.80 1100 828 A 52 PHE HA A 53 LYS HBy 1.0 1.8 5.80 1101 829 A 53 LYS H A 52 PHE HBy 1.0 1.8 2.94 1102 829 A 53 LYS H A 52 PHE HBx 1.0 1.8 2.94 1103 830 A 53 LYS HA A 52 PHE HBy 1.0 1.8 5.41 1104 830 A 53 LYS HA A 52 PHE HBx 1.0 1.8 5.41 1105 831 A 52 PHE HBy A 53 LYS HBx 1.0 1.8 5.09 1106 831 A 52 PHE HBx A 53 LYS HBx 1.0 1.8 5.09 1107 831 A 53 LYS HBy A 52 PHE HBy 1.0 1.8 5.09 1108 831 A 52 PHE HBx A 53 LYS HBy 1.0 1.8 5.09 1109 832 A 61 PHE H A 52 PHE HBy 1.0 1.8 4.88 1110 832 A 61 PHE H A 52 PHE HBx 1.0 1.8 4.88 1111 833 A 52 PHE HE% A 66 LEU HD11 1.0 1.8 5.91 1112 833 A 52 PHE HE% A 66 LEU HD21 1.0 1.8 5.91 1113 834 A 53 LYS H A 53 LYS HBx 1.0 1.8 3.12 1114 834 A 53 LYS H A 53 LYS HBy 1.0 1.8 3.12 1115 835 A 53 LYS HA A 60 GLU HGx 1.0 1.8 5.81 1116 835 A 53 LYS HA A 60 GLU HGy 1.0 1.8 5.81 1117 836 A 54 CYS H A 53 LYS HBx 1.0 1.8 4.36 1118 836 A 54 CYS H A 53 LYS HBy 1.0 1.8 4.36 1119 837 A 54 CYS H A 54 CYS HBy 1.0 1.8 3.15 1120 837 A 54 CYS H A 54 CYS HBx 1.0 1.8 3.15 1121 838 A 54 CYS H A 58 GLY HAx 1.0 1.8 4.51 1122 838 A 54 CYS H A 58 GLY HAy 1.0 1.8 4.51 1123 839 A 56 VAL H A 54 CYS HBy 1.0 1.8 4.90 1124 839 A 56 VAL H A 54 CYS HBx 1.0 1.8 4.90 1125 840 A 57 CYS H A 54 CYS HBy 1.0 1.8 3.75 1126 840 A 57 CYS H A 54 CYS HBx 1.0 1.8 3.75 1127 841 A 58 GLY H A 54 CYS HBy 1.0 1.8 3.16 1128 841 A 58 GLY H A 54 CYS HBx 1.0 1.8 3.16 1129 842 A 59 GLU H A 54 CYS HBy 1.0 1.8 3.20 1130 842 A 59 GLU H A 54 CYS HBx 1.0 1.8 3.20 1131 843 A 60 GLU H A 54 CYS HBy 1.0 1.8 5.81 1132 843 A 60 GLU H A 54 CYS HBx 1.0 1.8 5.81 1133 844 A 61 PHE HE% A 54 CYS HBy 1.0 1.8 4.57 1134 844 A 61 PHE HE% A 54 CYS HBx 1.0 1.8 4.57 1135 845 A 55 PRO HBx A 56 VAL HG11 1.0 1.8 4.32 1136 845 A 55 PRO HBy A 56 VAL HG11 1.0 1.8 4.32 1137 845 A 56 VAL HGy% A 55 PRO HBx 1.0 1.8 4.32 1138 845 A 56 VAL HGy% A 55 PRO HBy 1.0 1.8 4.32 1139 846 A 56 VAL H A 56 VAL HG11 1.0 1.8 2.97 1140 846 A 56 VAL H A 56 VAL HGy% 1.0 1.8 2.97 1141 847 A 56 VAL HA A 56 VAL HG11 1.0 1.8 2.74 1142 847 A 56 VAL HGy% A 56 VAL HA 1.0 1.8 2.74 1143 848 A 57 CYS H A 56 VAL HG11 1.0 1.8 3.70 1144 848 A 57 CYS H A 56 VAL HGy% 1.0 1.8 3.70 1145 849 A 57 CYS HA A 56 VAL HG11 1.0 1.8 5.64 1146 849 A 57 CYS HA A 56 VAL HGy% 1.0 1.8 5.64 1147 850 A 58 GLY H A 56 VAL HG11 1.0 1.8 5.38 1148 850 A 58 GLY H A 56 VAL HGy% 1.0 1.8 5.38 1149 851 A 57 CYS H A 58 GLY HAx 1.0 1.8 5.81 1150 851 A 57 CYS H A 58 GLY HAy 1.0 1.8 5.81 1151 852 A 58 GLY H A 57 CYS HBx 1.0 1.8 4.47 1152 852 A 58 GLY H A 57 CYS HBy 1.0 1.8 4.47 1153 853 A 59 GLU H A 57 CYS HBx 1.0 1.8 5.81 1154 853 A 59 GLU H A 57 CYS HBy 1.0 1.8 5.81 1155 854 A 59 GLU H A 59 GLU HBx 1.0 1.8 2.83 1156 854 A 59 GLU H A 59 GLU HBy 1.0 1.8 2.83 1157 855 A 60 GLU H A 59 GLU HBx 1.0 1.8 3.87 1158 855 A 60 GLU H A 59 GLU HBy 1.0 1.8 3.87 1159 856 A 60 GLU H A 60 GLU HBx 1.0 1.8 3.10 1160 856 A 60 GLU H A 60 GLU HBy 1.0 1.8 3.10 1161 857 A 60 GLU H A 60 GLU HGx 1.0 1.8 4.16 1162 857 A 60 GLU H A 60 GLU HGy 1.0 1.8 4.16 1163 858 A 60 GLU HA A 60 GLU HGx 1.0 1.8 3.47 1164 858 A 60 GLU HA A 60 GLU HGy 1.0 1.8 3.47 1165 859 A 61 PHE H A 60 GLU HBx 1.0 1.8 3.28 1166 859 A 61 PHE H A 60 GLU HBy 1.0 1.8 3.28 1167 860 A 61 PHE H A 60 GLU HGx 1.0 1.8 5.81 1168 860 A 61 PHE H A 60 GLU HGy 1.0 1.8 5.81 1169 861 A 61 PHE H A 61 PHE HBx 1.0 1.8 3.63 1170 861 A 61 PHE H A 61 PHE HBy 1.0 1.8 3.63 1171 862 A 61 PHE HD% A 61 PHE HBx 1.0 1.8 2.52 1172 862 A 61 PHE HD% A 61 PHE HBy 1.0 1.8 2.52 1173 863 A 63 GLY H A 66 LEU HD11 1.0 1.8 5.92 1174 863 A 63 GLY H A 66 LEU HD21 1.0 1.8 5.92 1175 864 A 63 GLY HAy A 66 LEU HBy 1.0 1.8 5.01 1176 864 A 63 GLY HAy A 66 LEU HBx 1.0 1.8 5.01 1177 865 A 63 GLY HAy A 66 LEU HD11 1.0 1.8 4.10 1178 865 A 63 GLY HAy A 66 LEU HD21 1.0 1.8 4.10 1179 866 A 63 GLY HAx A 66 LEU HD11 1.0 1.8 4.56 1180 866 A 63 GLY HAx A 66 LEU HD21 1.0 1.8 4.56 1181 867 A 64 LYS H A 64 LYS HBx 1.0 1.8 2.65 1182 867 A 64 LYS H A 64 LYS HBy 1.0 1.8 2.65 1183 868 A 65 THR H A 66 LEU HBy 1.0 1.8 5.04 1184 868 A 65 THR H A 66 LEU HBx 1.0 1.8 5.04 1185 869 A 65 THR H A 66 LEU HD11 1.0 1.8 5.92 1186 869 A 65 THR H A 66 LEU HD21 1.0 1.8 5.92 1187 870 A 66 LEU H A 66 LEU HBy 1.0 1.8 2.89 1188 870 A 66 LEU H A 66 LEU HBx 1.0 1.8 2.89 1189 871 A 66 LEU H A 66 LEU HD11 1.0 1.8 5.92 1190 871 A 66 LEU H A 66 LEU HD21 1.0 1.8 5.92 1191 872 A 66 LEU HA A 66 LEU HD11 1.0 1.8 4.17 1192 872 A 66 LEU HD21 A 66 LEU HA 1.0 1.8 4.17 1193 873 A 71 ALA H A 66 LEU HD11 1.0 1.8 5.92 1194 873 A 71 ALA H A 66 LEU HD21 1.0 1.8 5.92 1195 874 A 71 ALA HB% A 66 LEU HD11 1.0 1.8 5.11 1196 874 A 71 ALA HB% A 66 LEU HD21 1.0 1.8 5.11 1197 875 A 71 ALA H A 69 ARG HBx 1.0 1.8 5.31 1198 875 A 71 ALA H A 69 ARG HBy 1.0 1.8 5.31 1199 876 A 71 ALA HA A 74 VAL HGy% 1.0 1.8 3.70 1200 876 A 71 ALA HA A 74 VAL HGx% 1.0 1.8 3.70 1201 877 A 71 ALA HB% A 74 VAL HGy% 1.0 1.8 3.59 1202 877 A 71 ALA HB% A 74 VAL HGx% 1.0 1.8 3.59 1203 878 A 72 GLU HA A 75 PHE HBx 1.0 1.8 4.84 1204 878 A 72 GLU HA A 75 PHE HBy 1.0 1.8 4.84 1205 879 A 73 LYS H A 73 LYS HBx 1.0 1.8 2.70 1206 879 A 73 LYS H A 73 LYS HBy 1.0 1.8 2.70 1207 880 A 73 LYS H A 74 VAL HGy% 1.0 1.8 5.92 1208 880 A 73 LYS H A 74 VAL HGx% 1.0 1.8 5.92 1209 881 A 73 LYS HA A 76 GLU HGx 1.0 1.8 5.01 1210 881 A 73 LYS HA A 76 GLU HGy 1.0 1.8 5.01 1211 882 A 73 LYS HBy A 74 VAL HGy% 1.0 1.8 4.38 1212 882 A 73 LYS HBx A 74 VAL HGy% 1.0 1.8 4.38 1213 882 A 74 VAL HGx% A 73 LYS HBx 1.0 1.8 4.38 1214 882 A 74 VAL HGx% A 73 LYS HBy 1.0 1.8 4.38 1215 883 A 74 VAL H A 74 VAL HGy% 1.0 1.8 3.09 1216 883 A 74 VAL H A 74 VAL HGx% 1.0 1.8 3.09 1217 884 A 74 VAL H A 76 GLU HBy 1.0 1.8 5.31 1218 884 A 74 VAL H A 76 GLU HBx 1.0 1.8 5.31 1219 885 A 74 VAL H A 77 LEU HDy% 1.0 1.8 5.69 1220 885 A 74 VAL H A 77 LEU HDx% 1.0 1.8 5.69 1221 886 A 74 VAL HA A 74 VAL HGy% 1.0 1.8 2.88 1222 886 A 74 VAL HA A 74 VAL HGx% 1.0 1.8 2.88 1223 887 A 74 VAL HA A 77 LEU HDy% 1.0 1.8 3.11 1224 887 A 74 VAL HA A 77 LEU HDx% 1.0 1.8 3.11 1225 888 A 75 PHE H A 74 VAL HGy% 1.0 1.8 3.86 1226 888 A 75 PHE H A 74 VAL HGx% 1.0 1.8 3.86 1227 889 A 75 PHE HA A 74 VAL HGy% 1.0 1.8 4.82 1228 889 A 75 PHE HA A 74 VAL HGx% 1.0 1.8 4.82 1229 890 A 74 VAL HGx% A 94 LEU HDy% 1.0 1.8 4.30 1230 890 A 74 VAL HGy% A 94 LEU HDy% 1.0 1.8 4.30 1231 890 A 94 LEU HDx% A 74 VAL HGy% 1.0 1.8 4.30 1232 890 A 94 LEU HDx% A 74 VAL HGx% 1.0 1.8 4.30 1233 891 A 75 PHE H A 75 PHE HBx 1.0 1.8 2.81 1234 891 A 75 PHE H A 75 PHE HBy 1.0 1.8 2.81 1235 892 A 75 PHE H A 76 GLU HBy 1.0 1.8 5.42 1236 892 A 75 PHE H A 76 GLU HBx 1.0 1.8 5.42 1237 893 A 75 PHE H A 77 LEU HDy% 1.0 1.8 5.89 1238 893 A 75 PHE H A 77 LEU HDx% 1.0 1.8 5.89 1239 894 A 75 PHE HA A 78 LEU HBy 1.0 1.8 4.35 1240 894 A 75 PHE HA A 78 LEU HBx 1.0 1.8 4.35 1241 895 A 75 PHE HA A 78 LEU HDy% 1.0 1.8 4.07 1242 895 A 75 PHE HA A 78 LEU HDx% 1.0 1.8 4.07 1243 896 A 76 GLU H A 75 PHE HBx 1.0 1.8 4.13 1244 896 A 76 GLU H A 75 PHE HBy 1.0 1.8 4.13 1245 897 A 75 PHE HBx A 78 LEU HBy 1.0 1.8 5.03 1246 897 A 75 PHE HBy A 78 LEU HBy 1.0 1.8 5.03 1247 897 A 78 LEU HBx A 75 PHE HBx 1.0 1.8 5.03 1248 897 A 78 LEU HBx A 75 PHE HBy 1.0 1.8 5.03 1249 898 A 76 GLU H A 76 GLU HBy 1.0 1.8 2.87 1250 898 A 76 GLU H A 76 GLU HBx 1.0 1.8 2.87 1251 899 A 76 GLU H A 76 GLU HGx 1.0 1.8 4.04 1252 899 A 76 GLU H A 76 GLU HGy 1.0 1.8 4.04 1253 900 A 76 GLU HA A 76 GLU HGx 1.0 1.8 3.65 1254 900 A 76 GLU HA A 76 GLU HGy 1.0 1.8 3.65 1255 901 A 76 GLU HA A 79 ASN HBy 1.0 1.8 3.50 1256 901 A 76 GLU HA A 79 ASN HBx 1.0 1.8 3.50 1257 902 A 77 LEU H A 76 GLU HBy 1.0 1.8 3.94 1258 902 A 77 LEU H A 76 GLU HBx 1.0 1.8 3.94 1259 903 A 77 LEU H A 76 GLU HGx 1.0 1.8 5.13 1260 903 A 77 LEU H A 76 GLU HGy 1.0 1.8 5.13 1261 904 A 77 LEU HA A 76 GLU HGx 1.0 1.8 4.47 1262 904 A 77 LEU HA A 76 GLU HGy 1.0 1.8 4.47 1263 905 A 79 ASN H A 76 GLU HGx 1.0 1.8 4.91 1264 905 A 79 ASN H A 76 GLU HGy 1.0 1.8 4.91 1265 906 A 77 LEU H A 78 LEU HDy% 1.0 1.8 5.34 1266 906 A 77 LEU H A 78 LEU HDx% 1.0 1.8 5.34 1267 907 A 77 LEU H A 79 ASN HBy 1.0 1.8 5.81 1268 907 A 77 LEU H A 79 ASN HBx 1.0 1.8 5.81 1269 908 A 77 LEU HA A 77 LEU HDy% 1.0 1.8 3.68 1270 908 A 77 LEU HA A 77 LEU HDx% 1.0 1.8 3.68 1271 909 A 77 LEU HA A 80 ASP HBx 1.0 1.8 3.74 1272 909 A 77 LEU HA A 80 ASP HBy 1.0 1.8 3.74 1273 910 A 77 LEU HBx A 77 LEU HDy% 1.0 1.8 2.54 1274 910 A 77 LEU HBx A 77 LEU HDx% 1.0 1.8 2.54 1275 911 A 78 LEU H A 77 LEU HDy% 1.0 1.8 4.51 1276 911 A 78 LEU H A 77 LEU HDx% 1.0 1.8 4.51 1277 912 A 78 LEU HA A 77 LEU HDy% 1.0 1.8 3.02 1278 912 A 78 LEU HA A 77 LEU HDx% 1.0 1.8 3.02 1279 913 A 79 ASN H A 77 LEU HDy% 1.0 1.8 4.58 1280 913 A 79 ASN H A 77 LEU HDx% 1.0 1.8 4.58 1281 914 A 78 LEU H A 78 LEU HBy 1.0 1.8 3.05 1282 914 A 78 LEU H A 78 LEU HBx 1.0 1.8 3.05 1283 915 A 78 LEU H A 78 LEU HDy% 1.0 1.8 3.37 1284 915 A 78 LEU H A 78 LEU HDx% 1.0 1.8 3.37 1285 916 A 78 LEU HA A 78 LEU HDy% 1.0 1.8 2.69 1286 916 A 78 LEU HA A 78 LEU HDx% 1.0 1.8 2.69 1287 917 A 78 LEU HBx A 78 LEU HDy% 1.0 1.8 2.35 1288 917 A 78 LEU HBy A 78 LEU HDy% 1.0 1.8 2.35 1289 917 A 78 LEU HDx% A 78 LEU HBy 1.0 1.8 2.35 1290 917 A 78 LEU HBx A 78 LEU HDx% 1.0 1.8 2.35 1291 918 A 79 ASN H A 78 LEU HBy 1.0 1.8 3.30 1292 918 A 79 ASN H A 78 LEU HBx 1.0 1.8 3.30 1293 919 A 79 ASN H A 79 ASN HBy 1.0 1.8 3.03 1294 919 A 79 ASN H A 79 ASN HBx 1.0 1.8 3.03 1295 920 A 80 ASP H A 79 ASN HBy 1.0 1.8 3.68 1296 920 A 80 ASP H A 79 ASN HBx 1.0 1.8 3.68 1297 921 A 80 ASP H A 80 ASP HBx 1.0 1.8 3.68 1298 921 A 80 ASP H A 80 ASP HBy 1.0 1.8 3.68 1299 922 A 81 PHE H A 80 ASP HBx 1.0 1.8 3.73 1300 922 A 81 PHE H A 80 ASP HBy 1.0 1.8 3.73 1301 923 A 81 PHE HD% A 81 PHE HBx 1.0 1.8 2.95 1302 923 A 81 PHE HD% A 81 PHE HBy 1.0 1.8 2.95 1303 924 A 82 LYS H A 82 LYS HBx 1.0 1.8 3.66 1304 924 A 82 LYS H A 82 LYS HBy 1.0 1.8 3.66 1305 925 A 82 LYS HA A 82 LYS HBx 1.0 1.8 2.62 1306 925 A 82 LYS HBy A 82 LYS HA 1.0 1.8 2.62 1307 926 A 84 GLY H A 83 GLY HAy 1.0 1.8 2.89 1308 926 A 84 GLY H A 83 GLY HAx 1.0 1.8 2.89 1309 927 A 85 ILE HD1% A 83 GLY HAy 1.0 1.8 5.17 1310 927 A 85 ILE HD1% A 83 GLY HAx 1.0 1.8 5.17 1311 928 A 84 GLY H A 93 LYS HBx 1.0 1.8 4.37 1312 928 A 84 GLY H A 93 LYS HBy 1.0 1.8 4.37 1313 929 A 84 GLY H A 93 LYS HGx 1.0 1.8 5.81 1314 929 A 84 GLY H A 93 LYS HGy 1.0 1.8 5.81 1315 930 A 85 ILE H A 84 GLY HAx 1.0 1.8 2.99 1316 930 A 85 ILE H A 84 GLY HAy 1.0 1.8 2.99 1317 931 A 84 GLY HAy A 85 ILE HG12 1.0 1.8 4.20 1318 931 A 85 ILE HG1y A 84 GLY HAx 1.0 1.8 4.20 1319 931 A 84 GLY HAy A 85 ILE HG1y 1.0 1.8 4.20 1320 931 A 84 GLY HAx A 85 ILE HG12 1.0 1.8 4.20 1321 932 A 93 LYS H A 84 GLY HAx 1.0 1.8 4.35 1322 932 A 93 LYS H A 84 GLY HAy 1.0 1.8 4.35 1323 933 A 84 GLY HAy A 93 LYS HBx 1.0 1.8 4.36 1324 933 A 93 LYS HBy A 84 GLY HAx 1.0 1.8 4.36 1325 933 A 93 LYS HBy A 84 GLY HAy 1.0 1.8 4.36 1326 933 A 84 GLY HAx A 93 LYS HBx 1.0 1.8 4.36 1327 934 A 85 ILE H A 85 ILE HG12 1.0 1.8 3.32 1328 934 A 85 ILE H A 85 ILE HG1y 1.0 1.8 3.32 1329 935 A 85 ILE HA A 85 ILE HG12 1.0 1.8 3.54 1330 935 A 85 ILE HA A 85 ILE HG1y 1.0 1.8 3.54 1331 936 A 85 ILE HA A 92 VAL HGy% 1.0 1.8 4.32 1332 936 A 85 ILE HA A 92 VAL HGx% 1.0 1.8 4.32 1333 937 A 86 ASP H A 86 ASP HBy 1.0 1.8 3.06 1334 937 A 86 ASP H A 86 ASP HBx 1.0 1.8 3.06 1335 938 A 86 ASP HBx A 90 LYS HBx 1.0 1.8 5.61 1336 938 A 86 ASP HBy A 90 LYS HBx 1.0 1.8 5.61 1337 938 A 90 LYS HBy A 86 ASP HBy 1.0 1.8 5.61 1338 938 A 86 ASP HBx A 90 LYS HBy 1.0 1.8 5.61 1339 939 A 87 TRP H A 87 TRP HBx 1.0 1.8 3.09 1340 939 A 87 TRP H A 87 TRP HBy 1.0 1.8 3.09 1341 940 A 87 TRP H A 88 GLU HBy 1.0 1.8 5.66 1342 940 A 87 TRP H A 88 GLU HBx 1.0 1.8 5.66 1343 941 A 88 GLU H A 87 TRP HBx 1.0 1.8 3.32 1344 941 A 88 GLU H A 87 TRP HBy 1.0 1.8 3.32 1345 942 A 89 ASN H A 87 TRP HBx 1.0 1.8 5.81 1346 942 A 89 ASN H A 87 TRP HBy 1.0 1.8 5.81 1347 943 A 90 LYS H A 87 TRP HBx 1.0 1.8 5.81 1348 943 A 90 LYS H A 87 TRP HBy 1.0 1.8 5.81 1349 944 A 88 GLU H A 88 GLU HBy 1.0 1.8 2.52 1350 944 A 88 GLU H A 88 GLU HBx 1.0 1.8 2.52 1351 945 A 89 ASN H A 88 GLU HBy 1.0 1.8 3.27 1352 945 A 89 ASN H A 88 GLU HBx 1.0 1.8 3.27 1353 946 A 89 ASN H A 89 ASN HBy 1.0 1.8 2.87 1354 946 A 89 ASN H A 89 ASN HBx 1.0 1.8 2.87 1355 947 A 89 ASN H A 90 LYS HBx 1.0 1.8 5.81 1356 947 A 89 ASN H A 90 LYS HBy 1.0 1.8 5.81 1357 948 A 90 LYS H A 90 LYS HBx 1.0 1.8 3.50 1358 948 A 90 LYS H A 90 LYS HBy 1.0 1.8 3.50 1359 949 A 91 ARG H A 90 LYS HBx 1.0 1.8 4.12 1360 949 A 91 ARG H A 90 LYS HBy 1.0 1.8 4.12 1361 950 A 92 VAL HA A 92 VAL HGy% 1.0 1.8 2.96 1362 950 A 92 VAL HA A 92 VAL HGx% 1.0 1.8 2.96 1363 951 A 92 VAL HA A 93 LYS HBx 1.0 1.8 4.69 1364 951 A 92 VAL HA A 93 LYS HBy 1.0 1.8 4.69 1365 952 A 93 LYS H A 92 VAL HGy% 1.0 1.8 3.01 1366 952 A 93 LYS H A 92 VAL HGx% 1.0 1.8 3.01 1367 953 A 94 LEU H A 92 VAL HGy% 1.0 1.8 5.92 1368 953 A 94 LEU H A 92 VAL HGx% 1.0 1.8 5.92 1369 954 A 93 LYS H A 93 LYS HBx 1.0 1.8 3.13 1370 954 A 93 LYS H A 93 LYS HBy 1.0 1.8 3.13 1371 955 A 93 LYS H A 93 LYS HGx 1.0 1.8 4.72 1372 955 A 93 LYS H A 93 LYS HGy 1.0 1.8 4.72 1373 956 A 93 LYS HA A 93 LYS HGx 1.0 1.8 3.56 1374 956 A 93 LYS HA A 93 LYS HGy 1.0 1.8 3.56 1375 957 A 93 LYS HBx A 93 LYS HGx 1.0 1.8 2.35 1376 957 A 93 LYS HBy A 93 LYS HGx 1.0 1.8 2.35 1377 957 A 93 LYS HGy A 93 LYS HBx 1.0 1.8 2.35 1378 957 A 93 LYS HBy A 93 LYS HGy 1.0 1.8 2.35 1379 958 A 94 LEU HA A 94 LEU HDy% 1.0 1.8 3.24 1380 958 A 94 LEU HA A 94 LEU HDx% 1.0 1.8 3.24 1381 959 A 94 LEU HBx A 94 LEU HDy% 1.0 1.8 2.34 1382 959 A 94 LEU HBy A 94 LEU HDy% 1.0 1.8 2.34 1383 959 A 94 LEU HDx% A 94 LEU HBx 1.0 1.8 2.34 1384 959 A 94 LEU HDx% A 94 LEU HBy 1.0 1.8 2.34 1385 960 A 95 LYS H A 94 LEU HDy% 1.0 1.8 4.18 1386 960 A 95 LYS H A 94 LEU HDx% 1.0 1.8 4.18 1387 961 A 95 LYS H A 95 LYS HBx 1.0 1.8 2.86 1388 961 A 95 LYS H A 95 LYS HBy 1.0 1.8 2.86 1389 962 A 95 LYS HA A 95 LYS HBx 1.0 1.8 2.59 1390 962 A 95 LYS HA A 95 LYS HBy 1.0 1.8 2.59 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 8 MET N A 8 MET CA A 8 MET C A 9 ALA N 1.0 91.4 153.8 PSI 2 2 A 8 MET C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -126.0 -83.4 PHI 3 3 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 LYS N 1.0 107.9 142.3 PSI 4 4 A 9 ALA C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -154.1 -69.3 PHI 5 5 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 CYS N 1.0 107.9 136.1 PSI 6 6 A 10 LYS C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -164.3 -69.7 PHI 7 7 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 PRO N 1.0 116.7 179.1 PSI 8 8 A 17 PRO C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -157.6 -96.2 PHI 9 9 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 LYS N 1.0 114.3 167.7 PSI 10 10 A 18 LEU C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -103.1 -51.7 PHI 11 11 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 TRP N 1.0 105.0 169.2 PSI 12 12 A 19 LYS C A 20 TRP N A 20 TRP CA A 20 TRP C 1.0 -67.4 -42.8 PHI 13 13 A 20 TRP N A 20 TRP CA A 20 TRP C A 21 GLU N 1.0 -62.5 -27.3 PSI 14 14 A 20 TRP C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -75.3 -48.1 PHI 15 15 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 GLU N 1.0 -53.3 -27.7 PSI 16 16 A 21 GLU C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -74.4 -53.2 PHI 17 17 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 LEU N 1.0 -53.3 -28.9 PSI 18 18 A 22 GLU C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -82.5 -46.9 PHI 19 19 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 ILE N 1.0 -54.6 -34.6 PSI 20 20 A 23 LEU C A 24 ILE N A 24 ILE CA A 24 ILE C 1.0 -77.8 -54.8 PHI 21 21 A 24 ILE N A 24 ILE CA A 24 ILE C A 25 GLU N 1.0 -63.1 -3.3 PSI 22 22 A 24 ILE C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -72.8 -48.6 PHI 23 23 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 GLU N 1.0 -59.6 -30.8 PSI 24 24 A 25 GLU C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -77.7 -52.3 PHI 25 25 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 MET N 1.0 -58.2 -23.0 PSI 26 26 A 26 GLU C A 27 MET N A 27 MET CA A 27 MET C 1.0 -104.6 -44.4 PHI 27 27 A 27 MET N A 27 MET CA A 27 MET C A 28 LEU N 1.0 -79.8 21.2 PSI 28 28 A 29 ILE C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -114.1 -51.9 PHI 29 29 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 GLU N 1.0 74.1 178.3 PSI 30 30 A 30 ILE C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -88.9 -44.3 PHI 31 31 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 ASN N 1.0 -69.3 2.1 PSI 32 32 A 31 GLU C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -104.5 -41.1 PHI 33 33 A 32 ASN N A 32 ASN CA A 32 ASN C A 33 PHE N 1.0 -68.3 26.5 PSI 34 34 A 32 ASN C A 33 PHE N A 33 PHE CA A 33 PHE C 1.0 -71.1 -49.5 PHI 35 35 A 33 PHE N A 33 PHE CA A 33 PHE C A 34 GLU N 1.0 -57.8 -37.8 PSI 36 36 A 33 PHE C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -77.3 -49.3 PHI 37 37 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 GLU N 1.0 -44.3 -22.1 PSI 38 38 A 34 GLU C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -83.8 -54.6 PHI 39 39 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 ILE N 1.0 -67.0 -7.4 PSI 40 40 A 35 GLU C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -71.4 -51.0 PHI 41 41 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 VAL N 1.0 -46.1 -26.1 PSI 42 42 A 36 ILE C A 37 VAL N A 37 VAL CA A 37 VAL C 1.0 -91.4 -41.6 PHI 43 43 A 37 VAL N A 37 VAL CA A 37 VAL C A 38 LYS N 1.0 -57.2 12.0 PSI 44 44 A 39 ASP C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -63.3 -43.3 PHI 45 45 A 40 ARG N A 40 ARG CA A 40 ARG C A 41 GLU N 1.0 -63.9 -31.9 PSI 46 46 A 40 ARG C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -70.6 -47.8 PHI 47 47 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 ARG N 1.0 -57.3 -27.1 PSI 48 48 A 41 GLU C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -81.8 -54.2 PHI 49 49 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 PHE N 1.0 -50.2 -28.2 PSI 50 50 A 42 ARG C A 43 PHE N A 43 PHE CA A 43 PHE C 1.0 -76.6 -54.2 PHI 51 51 A 43 PHE N A 43 PHE CA A 43 PHE C A 44 LEU N 1.0 -54.6 -32.8 PSI 52 52 A 43 PHE C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -71.8 -51.6 PHI 53 53 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 ALA N 1.0 -53.0 -22.0 PSI 54 54 A 45 ALA C A 46 GLN N A 46 GLN CA A 46 GLN C 1.0 -78.8 -56.2 PHI 55 55 A 46 GLN N A 46 GLN CA A 46 GLN C A 47 VAL N 1.0 -51.8 -31.4 PSI 56 56 A 46 GLN C A 47 VAL N A 47 VAL CA A 47 VAL C 1.0 -77.2 -49.2 PHI 57 57 A 47 VAL N A 47 VAL CA A 47 VAL C A 48 GLU N 1.0 -54.6 -34.6 PSI 58 58 A 47 VAL C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -90.1 -43.5 PHI 59 59 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 GLU N 1.0 -54.2 -12.4 PSI 60 60 A 49 GLU C A 50 PHE N A 50 PHE CA A 50 PHE C 1.0 -134.4 -48.2 PHI 61 61 A 50 PHE N A 50 PHE CA A 50 PHE C A 51 VAL N 1.0 117.2 154.4 PSI 62 62 A 50 PHE C A 51 VAL N A 51 VAL CA A 51 VAL C 1.0 -118.7 -55.3 PHI 63 63 A 51 VAL N A 51 VAL CA A 51 VAL C A 52 PHE N 1.0 77.3 177.9 PSI 64 64 A 52 PHE C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -147.3 -88.7 PHI 65 65 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 CYS N 1.0 97.0 159.2 PSI 66 66 A 53 LYS C A 54 CYS N A 54 CYS CA A 54 CYS C 1.0 -139.2 -81.8 PHI 67 67 A 54 CYS N A 54 CYS CA A 54 CYS C A 55 PRO N 1.0 96.7 184.1 PSI 68 68 A 58 GLY C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -106.6 -60.8 PHI 69 69 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 GLU N 1.0 80.8 202.8 PSI 70 70 A 59 GLU C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -174.8 -85.4 PHI 71 71 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 PHE N 1.0 138.1 179.5 PSI 72 72 A 60 GLU C A 61 PHE N A 61 PHE CA A 61 PHE C 1.0 -161.1 -94.3 PHI 73 73 A 61 PHE N A 61 PHE CA A 61 PHE C A 62 TYR N 1.0 134.3 172.3 PSI 74 74 A 61 PHE C A 62 TYR N A 62 TYR CA A 62 TYR C 1.0 -141.1 -40.7 PHI 75 75 A 62 TYR N A 62 TYR CA A 62 TYR C A 63 GLY N 1.0 115.2 168.0 PSI 76 76 A 63 GLY C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -85.2 -44.4 PHI 77 77 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 THR N 1.0 -58.5 -4.5 PSI 78 78 A 64 LYS C A 65 THR N A 65 THR CA A 65 THR C 1.0 -111.1 -58.5 PHI 79 79 A 65 THR N A 65 THR CA A 65 THR C A 66 LEU N 1.0 -35.6 9.4 PSI 80 80 A 65 THR C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -161.9 -25.3 PHI 81 81 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 PRO N 1.0 49.8 189.6 PSI 82 82 A 67 PRO C A 68 ARG N A 68 ARG CA A 68 ARG C 1.0 -70.5 -28.5 PHI 83 83 A 68 ARG N A 68 ARG CA A 68 ARG C A 69 ARG N 1.0 -63.7 -21.1 PSI 84 84 A 68 ARG C A 69 ARG N A 69 ARG CA A 69 ARG C 1.0 -82.5 -43.5 PHI 85 85 A 69 ARG N A 69 ARG CA A 69 ARG C A 70 GLU N 1.0 -53.6 -28.0 PSI 86 86 A 69 ARG C A 70 GLU N A 70 GLU CA A 70 GLU C 1.0 -82.5 -49.3 PHI 87 87 A 70 GLU N A 70 GLU CA A 70 GLU C A 71 ALA N 1.0 -49.3 -29.3 PSI 88 88 A 70 GLU C A 71 ALA N A 71 ALA CA A 71 ALA C 1.0 -73.7 -53.7 PHI 89 89 A 71 ALA N A 71 ALA CA A 71 ALA C A 72 GLU N 1.0 -52.5 -32.5 PSI 90 90 A 71 ALA C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -74.9 -54.9 PHI 91 91 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 LYS N 1.0 -60.2 -18.2 PSI 92 92 A 72 GLU C A 73 LYS N A 73 LYS CA A 73 LYS C 1.0 -76.5 -50.5 PHI 93 93 A 73 LYS N A 73 LYS CA A 73 LYS C A 74 VAL N 1.0 -53.9 -29.7 PSI 94 94 A 73 LYS C A 74 VAL N A 74 VAL CA A 74 VAL C 1.0 -73.7 -52.3 PHI 95 95 A 74 VAL N A 74 VAL CA A 74 VAL C A 75 PHE N 1.0 -56.4 -36.0 PSI 96 96 A 74 VAL C A 75 PHE N A 75 PHE CA A 75 PHE C 1.0 -73.0 -53.0 PHI 97 97 A 75 PHE N A 75 PHE CA A 75 PHE C A 76 GLU N 1.0 -57.1 -33.3 PSI 98 98 A 75 PHE C A 76 GLU N A 76 GLU CA A 76 GLU C 1.0 -71.4 -51.4 PHI 99 99 A 76 GLU N A 76 GLU CA A 76 GLU C A 77 LEU N 1.0 -55.5 -34.3 PSI 100 100 A 76 GLU C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -84.7 -44.5 PHI 101 101 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 LEU N 1.0 -63.0 -18.8 PSI 102 102 A 77 LEU C A 78 LEU N A 78 LEU CA A 78 LEU C 1.0 -84.5 -57.7 PHI 103 103 A 78 LEU N A 78 LEU CA A 78 LEU C A 79 ASN N 1.0 -52.8 -13.4 PSI 104 104 A 78 LEU C A 79 ASN N A 79 ASN CA A 79 ASN C 1.0 -109.1 -43.1 PHI 105 105 A 79 ASN N A 79 ASN CA A 79 ASN C A 80 ASP N 1.0 -66.1 2.9 PSI 106 106 A 84 GLY C A 85 ILE N A 85 ILE CA A 85 ILE C 1.0 -119.5 -43.5 PHI 107 107 A 85 ILE N A 85 ILE CA A 85 ILE C A 86 ASP N 1.0 119.7 161.1 PSI 108 108 A 85 ILE C A 86 ASP N A 86 ASP CA A 86 ASP C 1.0 -145.7 -57.9 PHI 109 109 A 86 ASP N A 86 ASP CA A 86 ASP C A 87 TRP N 1.0 47.8 166.0 PSI 110 110 A 86 ASP C A 87 TRP N A 87 TRP CA A 87 TRP C 1.0 -79.3 -41.1 PHI 111 111 A 87 TRP N A 87 TRP CA A 87 TRP C A 88 GLU N 1.0 -63.0 6.0 PSI 112 112 A 87 TRP C A 88 GLU N A 88 GLU CA A 88 GLU C 1.0 -82.1 -47.3 PHI 113 113 A 88 GLU N A 88 GLU CA A 88 GLU C A 89 ASN N 1.0 -47.3 -16.3 PSI 114 114 A 88 GLU C A 89 ASN N A 89 ASN CA A 89 ASN C 1.0 -111.5 -67.7 PHI 115 115 A 89 ASN N A 89 ASN CA A 89 ASN C A 90 LYS N 1.0 -30.6 28.4 PSI 116 116 A 90 LYS C A 91 ARG N A 91 ARG CA A 91 ARG C 1.0 -144.2 -95.4 PHI 117 117 A 91 ARG N A 91 ARG CA A 91 ARG C A 92 VAL N 1.0 106.9 179.9 PSI 118 118 A 91 ARG C A 92 VAL N A 92 VAL CA A 92 VAL C 1.0 -123.1 -98.7 PHI 119 119 A 92 VAL N A 92 VAL CA A 92 VAL C A 93 LYS N 1.0 103.1 132.1 PSI 120 120 A 92 VAL C A 93 LYS N A 93 LYS CA A 93 LYS C 1.0 -161.9 -61.5 PHI 121 121 A 93 LYS N A 93 LYS CA A 93 LYS C A 94 LEU N 1.0 106.4 159.2 PSI 122 122 A 93 LYS C A 94 LEU N A 94 LEU CA A 94 LEU C 1.0 -142.1 -56.1 PHI 123 123 A 94 LEU N A 94 LEU CA A 94 LEU C A 95 LYS N 1.0 87.7 144.5 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_3 _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 13 ILE N A 13 ILE H 1.0 . . . 2 2 A 14 CYS N A 14 CYS H 1.0 . . . 3 3 A 15 GLY N A 15 GLY H 1.0 . . . 4 4 A 16 SER N A 16 SER H 1.0 . . . 5 5 A 26 GLU N A 26 GLU H 1.0 . . . 6 6 A 27 MET N A 27 MET H 1.0 . . . 7 7 A 29 ILE N A 29 ILE H 1.0 . . . 8 8 A 30 ILE N A 30 ILE H 1.0 . . . 9 9 A 33 PHE N A 33 PHE H 1.0 . . . 10 10 A 36 ILE N A 36 ILE H 1.0 . . . 11 11 A 38 LYS N A 38 LYS H 1.0 . . . 12 12 A 40 ARG N A 40 ARG H 1.0 . . . 13 13 A 41 GLU N A 41 GLU H 1.0 . . . 14 14 A 42 ARG N A 42 ARG H 1.0 . . . 15 15 A 44 LEU N A 44 LEU H 1.0 . . . 16 16 A 45 ALA N A 45 ALA H 1.0 . . . 17 17 A 48 GLU N A 48 GLU H 1.0 . . . 18 18 A 50 PHE N A 50 PHE H 1.0 . . . 19 19 A 51 VAL N A 51 VAL H 1.0 . . . 20 20 A 52 PHE N A 52 PHE H 1.0 . . . 21 21 A 56 VAL N A 56 VAL H 1.0 . . . 22 22 A 58 GLY N A 58 GLY H 1.0 . . . 23 23 A 59 GLU N A 59 GLU H 1.0 . . . 24 24 A 60 GLU N A 60 GLU H 1.0 . . . 25 25 A 61 PHE N A 61 PHE H 1.0 . . . 26 26 A 62 TYR N A 62 TYR H 1.0 . . . 27 27 A 63 GLY N A 63 GLY H 1.0 . . . 28 28 A 64 LYS N A 64 LYS H 1.0 . . . 29 29 A 65 THR N A 65 THR H 1.0 . . . 30 30 A 66 LEU N A 66 LEU H 1.0 . . . 31 31 A 69 ARG N A 69 ARG H 1.0 . . . 32 32 A 70 GLU N A 70 GLU H 1.0 . . . 33 33 A 73 LYS N A 73 LYS H 1.0 . . . 34 34 A 75 PHE N A 75 PHE H 1.0 . . . 35 35 A 77 LEU N A 77 LEU H 1.0 . . . stop_ save_