data_nef_c15870_2k6i save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -8 MET start . . 2 A -7 LYS middle . . 3 A -6 HIS middle . . 4 A -5 HIS middle . . 5 A -4 HIS middle . . 6 A -3 HIS middle . . 7 A -2 HIS middle . . 8 A -1 HIS middle . . 9 A 0 PRO middle . false 10 A 1 MET middle . . 11 A 2 GLY middle . false 12 A 3 VAL middle . . 13 A 4 SER middle . . 14 A 5 VAL middle . . 15 A 6 MET middle . . 16 A 7 GLU middle . . 17 A 8 ALA middle . . 18 A 9 ILE middle . . 19 A 10 LYS middle . . 20 A 11 GLU middle . . 21 A 12 VAL middle . . 22 A 13 LYS middle . . 23 A 14 LEU middle . . 24 A 15 ALA middle . . 25 A 16 GLU middle . . 26 A 17 GLU middle . . 27 A 18 GLN middle . . 28 A 19 ALA middle . . 29 A 20 VAL middle . . 30 A 21 LYS middle . . 31 A 22 GLU middle . . 32 A 23 ILE middle . . 33 A 24 GLU middle . . 34 A 25 GLU middle . . 35 A 26 ALA middle . . 36 A 27 LYS middle . . 37 A 28 ASN middle . . 38 A 29 ARG middle . . 39 A 30 ALA middle . . 40 A 31 GLU middle . . 41 A 32 GLN middle . . 42 A 33 ILE middle . . 43 A 34 LYS middle . . 44 A 35 ALA middle . . 45 A 36 GLU middle . . 46 A 37 ALA middle . . 47 A 38 ILE middle . . 48 A 39 GLU middle . . 49 A 40 GLU middle . . 50 A 41 ALA middle . . 51 A 42 LYS middle . . 52 A 43 LYS middle . . 53 A 44 LEU middle . . 54 A 45 ILE middle . . 55 A 46 ALA middle . . 56 A 47 CYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H H 1 8.769 0.020 A 1 MET HA H 1 4.510 0.400 A 1 MET HBx H 1 2.075 0.020 A 1 MET HBy H 1 2.075 0.020 A 1 MET HGx H 1 2.612 0.020 A 1 MET HGy H 1 2.612 0.020 A 1 MET CA C 13 55.680 0.400 A 1 MET CB C 13 33.310 0.400 A 1 MET CG C 13 32.450 0.400 A 1 MET N N 15 120.926 0.400 A 2 GLY H H 1 8.502 0.020 A 2 GLY HAx H 1 3.979 0.020 A 2 GLY HAy H 1 3.979 0.020 A 2 GLY CA C 13 45.600 0.020 A 2 GLY N N 15 110.343 0.400 A 3 VAL H H 1 8.040 0.020 A 3 VAL HA H 1 4.168 0.020 A 3 VAL HB H 1 2.076 0.020 A 3 VAL HGx% H 1 0.918 0.020 A 3 VAL HGy% H 1 0.918 0.020 A 3 VAL CA C 13 62.380 0.400 A 3 VAL CB C 13 33.210 0.400 A 3 VAL CGx C 13 21.390 0.400 A 3 VAL CGy C 13 21.390 0.400 A 3 VAL N N 15 119.136 0.400 A 4 SER H H 1 8.549 0.020 A 4 SER HA H 1 4.482 0.020 A 4 SER HBx H 1 3.878 0.020 A 4 SER HBy H 1 3.878 0.020 A 4 SER CA C 13 58.470 0.400 A 4 SER CB C 13 64.880 0.400 A 4 SER N N 15 120.034 0.400 A 5 VAL H H 1 8.304 0.020 A 5 VAL HA H 1 4.070 0.020 A 5 VAL HB H 1 2.090 0.020 A 5 VAL HGx% H 1 0.943 0.020 A 5 VAL HGy% H 1 0.943 0.020 A 5 VAL CA C 13 63.230 0.400 A 5 VAL CB C 13 32.770 0.400 A 5 VAL CGx C 13 21.370 0.400 A 5 VAL CGy C 13 21.370 0.400 A 5 VAL N N 15 122.497 0.400 A 6 MET H H 1 8.407 0.020 A 6 MET HA H 1 4.428 0.020 A 6 MET HBx H 1 2.052 0.020 A 6 MET HBy H 1 2.052 0.020 A 6 MET HGx H 1 2.555 0.020 A 6 MET HGy H 1 2.555 0.020 A 6 MET CA C 13 56.170 0.400 A 6 MET CB C 13 33.270 0.400 A 6 MET CG C 13 32.750 0.400 A 6 MET N N 15 122.782 0.400 A 7 GLU H H 1 8.350 0.020 A 7 GLU HA H 1 4.204 0.020 A 7 GLU HBx H 1 2.001 0.020 A 7 GLU HBy H 1 2.001 0.020 A 7 GLU HGx H 1 2.288 0.020 A 7 GLU HGy H 1 2.288 0.020 A 7 GLU CA C 13 57.280 0.400 A 7 GLU CB C 13 30.730 0.400 A 7 GLU CG C 13 36.570 0.400 A 7 GLU N N 15 122.264 0.400 A 8 ALA H H 1 8.334 0.020 A 8 ALA HA H 1 4.267 0.020 A 8 ALA HB% H 1 1.397 0.020 A 8 ALA CA C 13 53.180 0.400 A 8 ALA CB C 13 19.19 0.400 A 8 ALA N N 15 125.161 0.400 A 9 ILE H H 1 8.149 0.020 A 9 ILE HA H 1 4.048 0.020 A 9 ILE HB H 1 1.873 0.020 A 9 ILE HD1% H 1 0.902 0.020 A 9 ILE HG1x H 1 1.539 0.020 A 9 ILE HG1y H 1 1.539 0.020 A 9 ILE HG2% H 1 1.222 0.020 A 9 ILE CA C 13 62.030 0.400 A 9 ILE CB C 13 38.690 0.400 A 9 ILE CD1 C 13 13.200 0.400 A 9 ILE CG1 C 13 28.240 0.400 A 9 ILE CG2 C 13 17.830 0.400 A 9 ILE N N 15 120.286 0.400 A 10 LYS H H 1 8.282 0.020 A 10 LYS HA H 1 4.233 0.020 A 10 LYS HBx H 1 1.829 0.020 A 10 LYS HBy H 1 1.829 0.020 A 10 LYS HDx H 1 1.506 0.020 A 10 LYS HDy H 1 1.506 0.020 A 10 LYS HEx H 1 2.992 0.020 A 10 LYS HEy H 1 2.992 0.020 A 10 LYS HGx H 1 1.416 0.020 A 10 LYS HGy H 1 1.416 0.020 A 10 LYS CA C 13 57.250 0.400 A 10 LYS CB C 13 33.240 0.400 A 10 LYS CD C 13 29.470 0.400 A 10 LYS CE C 13 42.330 0.400 A 10 LYS CG C 13 25.070 0.400 A 10 LYS N N 15 125.057 0.400 A 11 GLU H H 1 8.394 0.020 A 11 GLU HA H 1 4.217 0.020 A 11 GLU HBx H 1 2.002 0.020 A 11 GLU HBy H 1 2.002 0.020 A 11 GLU HGx H 1 2.282 0.020 A 11 GLU HGy H 1 2.282 0.020 A 11 GLU CA C 13 57.540 0.400 A 11 GLU CB C 13 30.700 0.400 A 11 GLU CG C 13 36.590 0.400 A 11 GLU N N 15 122.003 0.400 A 12 VAL H H 1 8.220 0.020 A 12 VAL HA H 1 3.988 0.020 A 12 VAL HB H 1 2.081 0.020 A 12 VAL HGx% H 1 0.956 0.020 A 12 VAL HGy% H 1 0.956 0.020 A 12 VAL CA C 13 63.720 0.400 A 12 VAL CB C 13 32.680 0.400 A 12 VAL CGx C 13 21.660 0.400 A 12 VAL CGy C 13 21.660 0.400 A 12 VAL N N 15 122.828 0.400 A 13 LYS H H 1 8.385 0.020 A 13 LYS HA H 1 4.316 0.020 A 13 LYS HBx H 1 1.815 0.020 A 13 LYS HBy H 1 1.815 0.020 A 13 LYS HDx H 1 1.670 0.020 A 13 LYS HDy H 1 1.670 0.020 A 13 LYS HGx H 1 1.455 0.020 A 13 LYS HGy H 1 1.455 0.020 A 13 LYS CA C 13 56.990 0.400 A 13 LYS CB C 13 33.030 0.400 A 13 LYS CD C 13 29.300 0.400 A 13 LYS CE C 13 42.280 0.400 A 13 LYS CG C 13 25.060 0.400 A 13 LYS N N 15 124.784 0.400 A 14 LEU H H 1 8.360 0.020 A 14 LEU HA H 1 4.272 0.020 A 14 LEU HBx H 1 1.672 0.020 A 14 LEU HBy H 1 1.672 0.020 A 14 LEU HDx% H 1 0.906 0.020 A 14 LEU HDy% H 1 0.906 0.020 A 14 LEU CA C 13 56.450 0.400 A 14 LEU CB C 13 42.510 0.400 A 14 LEU CDy C 13 25.200 0.400 A 14 LEU CDx C 13 23.680 0.400 A 14 LEU CG C 13 27.470 0.400 A 14 LEU N N 15 123.256 0.400 A 15 ALA H H 1 8.301 0.020 A 15 ALA HA H 1 4.261 0.020 A 15 ALA HB% H 1 1.450 0.020 A 15 ALA CA C 13 53.810 0.400 A 15 ALA CB C 13 18.960 0.400 A 15 ALA N N 15 124.067 0.400 A 16 GLU H H 1 8.441 0.020 A 16 GLU HA H 1 4.195 0.020 A 16 GLU HBx H 1 2.077 0.020 A 16 GLU HBy H 1 2.077 0.020 A 16 GLU HGx H 1 2.261 0.020 A 16 GLU HGy H 1 2.390 0.020 A 16 GLU CA C 13 58.190 0.400 A 16 GLU CB C 13 30.360 0.400 A 16 GLU CG C 13 36.730 0.400 A 16 GLU N N 15 120.401 0.400 A 17 GLU H H 1 8.393 0.020 A 17 GLU HA H 1 4.168 0.020 A 17 GLU HBx H 1 2.080 0.020 A 17 GLU HBy H 1 2.080 0.020 A 17 GLU HGx H 1 2.275 0.020 A 17 GLU HGy H 1 2.406 0.020 A 17 GLU CA C 13 58.270 0.400 A 17 GLU CB C 13 30.340 0.400 A 17 GLU CG C 13 36.820 0.400 A 17 GLU N N 15 120.884 0.400 A 18 GLN H H 1 8.353 0.020 A 18 GLN HA H 1 4.170 0.020 A 18 GLN HBx H 1 2.100 0.020 A 18 GLN HBy H 1 2.100 0.020 A 18 GLN HE2y H 1 7.747 0.020 A 18 GLN HE2x H 1 6.944 0.020 A 18 GLN HGx H 1 2.414 0.020 A 18 GLN HGy H 1 2.414 0.020 A 18 GLN CA C 13 57.410 0.400 A 18 GLN CB C 13 29.080 0.400 A 18 GLN CG C 13 33.900 0.400 A 18 GLN N N 15 120.718 0.400 A 18 GLN NE2 N 15 112.900 0.400 A 19 ALA H H 1 8.191 0.020 A 19 ALA HA H 1 4.272 0.020 A 19 ALA HB% H 1 1.481 0.020 A 19 ALA CA C 13 54.310 0.400 A 19 ALA CB C 13 18.820 0.400 A 19 ALA N N 15 123.787 0.400 A 20 VAL H H 1 8.000 0.020 A 20 VAL HA H 1 3.857 0.020 A 20 VAL HB H 1 2.128 0.020 A 20 VAL HGx% H 1 1.027 0.020 A 20 VAL HGy% H 1 1.027 0.020 A 20 VAL CA C 13 64.950 0.400 A 20 VAL CB C 13 32.620 0.400 A 20 VAL CGx C 13 22.180 0.400 A 20 VAL CGy C 13 22.180 0.400 A 20 VAL N N 15 118.988 0.400 A 21 LYS H H 1 8.117 0.020 A 21 LYS HA H 1 4.197 0.020 A 21 LYS HBx H 1 1.895 0.020 A 21 LYS HBy H 1 1.895 0.020 A 21 LYS HDx H 1 1.711 0.020 A 21 LYS HDy H 1 1.711 0.020 A 21 LYS HEx H 1 2.997 0.020 A 21 LYS HEy H 1 2.997 0.020 A 21 LYS HGx H 1 1.476 0.020 A 21 LYS HGy H 1 1.476 0.020 A 21 LYS CA C 13 58.390 0.400 A 21 LYS CB C 13 32.910 0.400 A 21 LYS CD C 13 29.530 0.400 A 21 LYS CE C 13 42.420 0.400 A 21 LYS CG C 13 25.070 0.400 A 21 LYS N N 15 123.022 0.400 A 22 GLU H H 1 8.308 0.020 A 22 GLU HA H 1 4.173 0.020 A 22 GLU HBx H 1 2.088 0.020 A 22 GLU HBy H 1 2.088 0.020 A 22 GLU HGx H 1 2.290 0.020 A 22 GLU HGy H 1 2.417 0.020 A 22 GLU CA C 13 58.720 0.400 A 22 GLU CB C 13 29.900 0.400 A 22 GLU CG C 13 36.730 0.400 A 22 GLU N N 15 120.162 0.400 A 23 ILE H H 1 7.994 0.020 A 23 ILE HA H 1 3.931 0.020 A 23 ILE HB H 1 2.001 0.020 A 23 ILE HD1% H 1 0.930 0.020 A 23 ILE HG1x H 1 1.678 0.020 A 23 ILE HG1y H 1 1.678 0.020 A 23 ILE HG2% H 1 1.209 0.020 A 23 ILE CA C 13 63.670 0.400 A 23 ILE CB C 13 38.420 0.400 A 23 ILE CD1 C 13 13.132 0.400 A 23 ILE CG1 C 13 28.590 0.400 A 23 ILE CG2 C 13 17.660 0.400 A 23 ILE N N 15 121.937 0.400 A 24 GLU H H 1 8.261 0.020 A 24 GLU HA H 1 4.131 0.020 A 24 GLU HBx H 1 2.094 0.020 A 24 GLU HBy H 1 2.094 0.020 A 24 GLU HGx H 1 2.320 0.020 A 24 GLU HGy H 1 2.320 0.020 A 24 GLU CA C 13 58.680 0.400 A 24 GLU CB C 13 29.970 0.400 A 24 GLU CG C 13 36.360 0.400 A 24 GLU N N 15 122.682 0.400 A 25 GLU H H 1 8.537 0.020 A 25 GLU HA H 1 4.140 0.020 A 25 GLU HBx H 1 2.094 0.020 A 25 GLU HBy H 1 2.094 0.020 A 25 GLU HGx H 1 2.320 0.020 A 25 GLU HGy H 1 2.320 0.020 A 25 GLU CA C 13 58.780 0.400 A 25 GLU CB C 13 29.970 0.400 A 25 GLU CG C 13 36.620 0.400 A 25 GLU N N 15 120.605 0.400 A 26 ALA H H 1 8.129 0.020 A 26 ALA HA H 1 4.166 0.020 A 26 ALA HB% H 1 1.516 0.020 A 26 ALA CA C 13 55.230 0.400 A 26 ALA CB C 13 18.470 0.400 A 26 ALA N N 15 122.943 0.400 A 27 LYS H H 1 8.120 0.020 A 27 LYS HA H 1 4.175 0.020 A 27 LYS HBx H 1 1.926 0.020 A 27 LYS HBy H 1 1.926 0.020 A 27 LYS HDx H 1 1.540 0.020 A 27 LYS HDy H 1 1.540 0.020 A 27 LYS HEx H 1 2.962 0.020 A 27 LYS HEy H 1 2.962 0.020 A 27 LYS HGx H 1 1.417 0.020 A 27 LYS HGy H 1 1.417 0.020 A 27 LYS CA C 13 58.830 0.400 A 27 LYS CB C 13 32.610 0.400 A 27 LYS CD C 13 29.650 0.400 A 27 LYS CE C 13 42.310 0.400 A 27 LYS CG C 13 25.200 0.400 A 27 LYS N N 15 120.716 0.400 A 28 ASN H H 1 8.310 0.020 A 28 ASN HA H 1 4.575 0.020 A 28 ASN HBx H 1 2.887 0.020 A 28 ASN HBy H 1 2.887 0.020 A 28 ASN HD2y H 1 7.736 0.020 A 28 ASN HD2x H 1 6.953 0.020 A 28 ASN CA C 13 55.350 0.400 A 28 ASN CB C 13 38.420 0.400 A 28 ASN N N 15 118.724 0.400 A 28 ASN ND2 N 15 112.900 0.400 A 29 ARG H H 1 8.301 0.020 A 29 ARG HA H 1 4.191 0.020 A 29 ARG HBx H 1 1.927 0.020 A 29 ARG HBy H 1 1.927 0.020 A 29 ARG HDx H 1 3.243 0.020 A 29 ARG HDy H 1 3.243 0.020 A 29 ARG HGy H 1 1.754 0.020 A 29 ARG HGx H 1 1.703 0.020 A 29 ARG CA C 13 58.390 0.400 A 29 ARG CB C 13 30.510 0.400 A 29 ARG CD C 13 43.420 0.400 A 29 ARG CG C 13 27.530 0.400 A 30 ALA H H 1 8.110 0.020 A 30 ALA HA H 1 4.175 0.020 A 30 ALA HB% H 1 1.522 0.020 A 30 ALA CA C 13 55.230 0.400 A 30 ALA CB C 13 18.560 0.400 A 30 ALA N N 15 122.173 0.400 A 31 GLU H H 1 8.230 0.020 A 31 GLU HA H 1 4.160 0.020 A 31 GLU HBx H 1 2.113 0.020 A 31 GLU HBy H 1 2.113 0.020 A 31 GLU HGx H 1 2.375 0.020 A 31 GLU HGy H 1 2.375 0.020 A 31 GLU CA C 13 58.380 0.400 A 31 GLU CB C 13 29.830 0.400 A 31 GLU CG C 13 36.610 0.400 A 31 GLU N N 15 118.620 0.400 A 32 GLN H H 1 8.160 0.020 A 32 GLN HA H 1 4.214 0.020 A 32 GLN HBx H 1 2.163 0.020 A 32 GLN HBy H 1 2.163 0.020 A 32 GLN HE2y H 1 7.694 0.020 A 32 GLN HE2x H 1 6.895 0.020 A 32 GLN HGx H 1 2.386 0.020 A 32 GLN HGy H 1 2.467 0.020 A 32 GLN CA C 13 58.100 0.400 A 32 GLN CB C 13 28.880 0.400 A 32 GLN CG C 13 33.820 0.400 A 32 GLN N N 15 121.642 0.400 A 32 GLN NE2 N 15 112.600 0.400 A 33 ILE H H 1 8.180 0.020 A 33 ILE HA H 1 3.927 0.020 A 33 ILE HB H 1 1.891 0.020 A 33 ILE HD1% H 1 0.921 0.020 A 33 ILE HG1x H 1 1.638 0.020 A 33 ILE HG1y H 1 1.638 0.020 A 33 ILE HG2% H 1 1.206 0.020 A 33 ILE CA C 13 63.620 0.400 A 33 ILE CB C 13 38.530 0.400 A 33 ILE CD1 C 13 13.310 0.400 A 33 ILE CG1 C 13 28.370 0.400 A 33 ILE CG2 C 13 17.640 0.400 A 33 ILE N N 15 121.132 0.400 A 34 LYS H H 1 7.964 0.020 A 34 LYS HA H 1 4.186 0.020 A 34 LYS HBx H 1 1.892 0.020 A 34 LYS HBy H 1 1.892 0.020 A 34 LYS HDx H 1 1.537 0.020 A 34 LYS HDy H 1 1.537 0.020 A 34 LYS HEx H 1 2.978 0.020 A 34 LYS HEy H 1 2.978 0.020 A 34 LYS HGx H 1 1.450 0.020 A 34 LYS HGy H 1 1.450 0.020 A 34 LYS CA C 13 58.380 0.400 A 34 LYS CB C 13 33.120 0.400 A 34 LYS CD C 13 29.650 0.400 A 34 LYS CE C 13 42.280 0.400 A 34 LYS CG C 13 25.250 0.400 A 34 LYS N N 15 122.920 0.400 A 35 ALA H H 1 8.215 0.020 A 35 ALA HA H 1 4.178 0.020 A 35 ALA HB% H 1 1.509 0.020 A 35 ALA CA C 13 54.890 0.400 A 35 ALA CB C 13 18.710 0.400 A 35 ALA N N 15 123.352 0.400 A 36 GLU H H 1 8.434 0.020 A 36 GLU HA H 1 4.145 0.020 A 36 GLU HBx H 1 2.075 0.020 A 36 GLU HBy H 1 2.075 0.020 A 36 GLU HGx H 1 2.303 0.020 A 36 GLU HGy H 1 2.466 0.020 A 36 GLU CA C 13 58.360 0.400 A 36 GLU CB C 13 30.010 0.400 A 36 GLU CG C 13 36.800 0.400 A 36 GLU N N 15 119.725 0.400 A 37 ALA H H 1 8.084 0.020 A 37 ALA HA H 1 4.285 0.020 A 37 ALA HB% H 1 1.507 0.020 A 37 ALA CA C 13 54.440 0.400 A 37 ALA CB C 13 18.640 0.400 A 37 ALA N N 15 123.710 0.400 A 38 ILE H H 1 7.997 0.020 A 38 ILE HA H 1 3.953 0.020 A 38 ILE HB H 1 1.969 0.020 A 38 ILE HD1% H 1 0.914 0.020 A 38 ILE HG1x H 1 1.658 0.020 A 38 ILE HG1y H 1 1.658 0.020 A 38 ILE HG2% H 1 1.203 0.020 A 38 ILE CA C 13 63.450 0.400 A 38 ILE CB C 13 38.540 0.400 A 38 ILE CD1 C 13 13.370 0.400 A 38 ILE CG1 C 13 28.030 0.400 A 38 ILE CG2 C 13 17.780 0.400 A 38 ILE N N 15 120.850 0.400 A 39 GLU H H 1 8.100 0.020 A 39 GLU HA H 1 4.156 0.020 A 39 GLU HBx H 1 2.071 0.020 A 39 GLU HBy H 1 2.071 0.020 A 39 GLU HGx H 1 2.317 0.020 A 39 GLU HGy H 1 2.317 0.020 A 39 GLU CA C 13 58.230 0.400 A 39 GLU CB C 13 29.990 0.400 A 39 GLU CG C 13 36.270 0.400 A 39 GLU N N 15 122.251 0.400 A 40 GLU H H 1 8.435 0.020 A 40 GLU HA H 1 4.108 0.020 A 40 GLU HBx H 1 2.065 0.020 A 40 GLU HBy H 1 2.065 0.020 A 40 GLU HGx H 1 2.329 0.020 A 40 GLU HGy H 1 2.329 0.020 A 40 GLU CA C 13 58.360 0.400 A 40 GLU CB C 13 30.090 0.400 A 40 GLU CG C 13 36.330 0.400 A 40 GLU N N 15 121.271 0.400 A 41 ALA H H 1 8.054 0.020 A 41 ALA HA H 1 4.221 0.020 A 41 ALA HB% H 1 1.483 0.020 A 41 ALA CA C 13 54.180 0.400 A 41 ALA CB C 13 18.680 0.400 A 41 ALA N N 15 122.548 0.400 A 42 LYS H H 1 7.924 0.020 A 42 LYS HA H 1 4.168 0.020 A 42 LYS HBx H 1 1.878 0.020 A 42 LYS HBy H 1 1.878 0.020 A 42 LYS HDx H 1 1.615 0.020 A 42 LYS HDy H 1 1.615 0.020 A 42 LYS HEx H 1 2.950 0.020 A 42 LYS HEy H 1 2.950 0.020 A 42 LYS HGx H 1 1.467 0.020 A 42 LYS HGy H 1 1.467 0.020 A 42 LYS CA C 13 57.910 0.400 A 42 LYS CB C 13 33.100 0.400 A 42 LYS CD C 13 29.950 0.400 A 42 LYS CE C 13 42.370 0.400 A 42 LYS CG C 13 25.710 0.400 A 42 LYS N N 15 118.809 0.400 A 43 LYS H H 1 7.860 0.020 A 43 LYS HA H 1 4.203 0.020 A 43 LYS HBx H 1 1.877 0.020 A 43 LYS HBy H 1 1.877 0.020 A 43 LYS HDx H 1 1.731 0.020 A 43 LYS HDy H 1 1.731 0.020 A 43 LYS HEx H 1 2.982 0.020 A 43 LYS HEy H 1 2.982 0.020 A 43 LYS HGx H 1 1.446 0.020 A 43 LYS HGy H 1 1.574 0.020 A 43 LYS CA C 13 57.380 0.400 A 43 LYS CB C 13 33.140 0.400 A 43 LYS CD C 13 29.740 0.400 A 43 LYS CE C 13 42.350 0.400 A 43 LYS CG C 13 25.410 0.400 A 43 LYS N N 15 120.047 0.400 A 44 LEU H H 1 7.919 0.020 A 44 LEU HA H 1 4.336 0.020 A 44 LEU HBx H 1 1.685 0.020 A 44 LEU HBy H 1 1.685 0.020 A 44 LEU HDx% H 1 0.915 0.020 A 44 LEU HDy% H 1 0.915 0.020 A 44 LEU CA C 13 55.680 0.400 A 44 LEU CB C 13 42.510 0.400 A 44 LEU CDy C 13 25.200 0.400 A 44 LEU CDx C 13 23.560 0.400 A 44 LEU CG C 13 27.340 0.400 A 44 LEU N N 15 121.328 0.400 A 45 ILE H H 1 7.880 0.020 A 45 ILE HA H 1 4.171 0.020 A 45 ILE HB H 1 1.910 0.020 A 45 ILE HD1% H 1 0.914 0.020 A 45 ILE HG1x H 1 1.514 0.020 A 45 ILE HG1y H 1 1.514 0.020 A 45 ILE HG2% H 1 1.205 0.020 A 45 ILE CA C 13 61.230 0.400 A 45 ILE CB C 13 38.880 0.400 A 45 ILE CD1 C 13 13.114 0.400 A 45 ILE CG1 C 13 28.100 0.400 A 45 ILE CG2 C 13 17.850 0.400 A 45 ILE N N 15 121.011 0.400 A 46 ALA H H 1 8.349 0.020 A 46 ALA HA H 1 4.392 0.020 A 46 ALA HB% H 1 1.423 0.020 A 46 ALA CA C 13 52.380 0.400 A 46 ALA CB C 13 19.550 0.400 A 46 ALA N N 15 129.057 0.400 A 47 CYS H H 1 8.043 0.020 A 47 CYS CA C 13 59.035 0.400 A 47 CYS CB C 13 28.638 0.400 A 47 CYS N N 15 123.478 0.400 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 GLY HAx A 3 VAL HGx% 1.0 . 5.16 2 1 A 2 GLY HAy A 3 VAL HGx% 1.0 . 5.16 3 1 A 3 VAL HGy% A 2 GLY HAx 1.0 . 5.16 4 1 A 2 GLY HAy A 3 VAL HGy% 1.0 . 5.16 5 2 A 2 GLY HAy A 5 VAL HGx% 1.0 . 5.50 6 2 A 2 GLY HAx A 5 VAL HGx% 1.0 . 5.50 7 2 A 5 VAL HGy% A 2 GLY HAx 1.0 . 5.50 8 2 A 2 GLY HAy A 5 VAL HGy% 1.0 . 5.50 9 3 A 25 GLU HA A 28 ASN HBx 1.0 . 4.08 10 3 A 25 GLU HA A 28 ASN HBy 1.0 . 4.08 11 4 A 30 ALA H A 28 ASN HBx 1.0 . 5.50 12 4 A 28 ASN HBy A 30 ALA H 1.0 . 5.50 13 5 A 9 ILE HA A 9 ILE HD1% 1.0 . 4.06 14 6 A 9 ILE HA A 5 VAL HB 1.0 . 5.20 15 7 A 14 LEU H A 14 LEU HBx 1.0 . 4.08 16 8 A 5 VAL HA A 8 ALA HB% 1.0 . 4.59 17 9 A 5 VAL HA A 5 VAL HGx% 1.0 . 3.64 18 9 A 5 VAL HGy% A 5 VAL HA 1.0 . 3.64 19 10 A 6 MET HA A 5 VAL HGx% 1.0 . 4.54 20 10 A 5 VAL HGy% A 6 MET HA 1.0 . 4.54 21 11 A 14 LEU HA A 16 GLU HBx 1.0 . 4.81 22 11 A 14 LEU HA A 16 GLU HBy 1.0 . 4.81 23 12 A 16 GLU H A 16 GLU HGy 1.0 . 3.97 24 13 A 17 GLU H A 17 GLU HGx 1.0 . 5.24 25 14 A 5 VAL HA A 7 GLU H 1.0 . 4.37 26 15 A 18 GLN H A 18 GLN HGx 1.0 . 4.23 27 15 A 18 GLN H A 18 GLN HGy 1.0 . 4.23 28 16 A 1 MET HBx A 2 GLY HAx 1.0 . 5.05 29 16 A 1 MET HBy A 2 GLY HAx 1.0 . 5.05 30 16 A 2 GLY HAy A 1 MET HBx 1.0 . 5.05 31 16 A 2 GLY HAy A 1 MET HBy 1.0 . 5.05 32 17 A 3 VAL HA A 3 VAL HGx% 1.0 . 3.83 33 17 A 3 VAL HGy% A 3 VAL HA 1.0 . 3.83 34 18 A 45 ILE HA A 45 ILE HD1% 1.0 . 3.60 35 19 A 33 ILE HA A 33 ILE HD1% 1.0 . 3.93 36 20 A 23 ILE HA A 23 ILE HG2% 1.0 . 4.19 37 21 A 38 ILE HA A 38 ILE HG1y 1.0 . 3.95 38 22 A 23 ILE HB A 23 ILE HD1% 1.0 . 3.73 39 23 A 38 ILE HB A 38 ILE HD1% 1.0 . 3.97 40 24 A 17 GLU HA A 20 VAL HB 1.0 . 5.00 41 25 A 23 ILE HA A 26 ALA HB% 1.0 . 3.93 42 26 A 7 GLU H A 6 MET HGx 1.0 . 5.50 43 26 A 7 GLU H A 6 MET HGy 1.0 . 5.50 44 27 A 6 MET HA A 9 ILE HB 1.0 . 4.48 45 28 A 5 VAL HA A 4 SER H 1.0 . 5.37 46 29 A 20 VAL HA A 23 ILE HG1y 1.0 . 5.50 47 30 A 23 ILE HB A 20 VAL HA 1.0 . 4.87 48 31 A 15 ALA HA A 18 GLN HBx 1.0 . 4.67 49 31 A 15 ALA HA A 18 GLN HBy 1.0 . 4.67 50 32 A 19 ALA HA A 18 GLN HBx 1.0 . 5.12 51 32 A 18 GLN HBy A 19 ALA HA 1.0 . 5.12 52 33 A 18 GLN HBx A 18 GLN HGx 1.0 . 3.00 53 33 A 18 GLN HBy A 18 GLN HGx 1.0 . 3.00 54 33 A 18 GLN HGy A 18 GLN HBx 1.0 . 3.00 55 33 A 18 GLN HGy A 18 GLN HBy 1.0 . 3.00 56 34 A 37 ALA HA A 36 GLU HBx 1.0 . 4.21 57 34 A 36 GLU HBy A 37 ALA HA 1.0 . 4.21 58 35 A 37 ALA HA A 40 GLU HBx 1.0 . 4.48 59 35 A 37 ALA HA A 40 GLU HBy 1.0 . 4.48 60 36 A 20 VAL H A 20 VAL HGx% 1.0 . 4.94 61 37 A 28 ASN HA A 31 GLU HGx 1.0 . 4.84 62 37 A 28 ASN HA A 31 GLU HGy 1.0 . 4.84 63 38 A 28 ASN HA A 31 GLU HBx 1.0 . 4.07 64 38 A 28 ASN HA A 31 GLU HBy 1.0 . 4.07 65 39 A 28 ASN HA A 29 ARG HA 1.0 . 5.00 66 40 A 30 ALA H A 28 ASN HA 1.0 . 5.23 67 41 A 25 GLU HBx A 28 ASN HBx 1.0 . 4.87 68 41 A 25 GLU HBy A 28 ASN HBx 1.0 . 4.87 69 41 A 28 ASN HBy A 25 GLU HBx 1.0 . 4.87 70 41 A 28 ASN HBy A 25 GLU HBy 1.0 . 4.87 71 42 A 26 ALA HB% A 28 ASN HBx 1.0 . 5.50 72 42 A 28 ASN HBy A 26 ALA HB% 1.0 . 5.50 73 43 A 30 ALA HB% A 28 ASN HBx 1.0 . 5.50 74 43 A 28 ASN HBy A 30 ALA HB% 1.0 . 5.50 75 44 A 17 GLU HA A 20 VAL HA 1.0 . 5.50 76 45 A 20 VAL HA A 21 LYS HA 1.0 . 5.50 77 46 A 12 VAL HA A 12 VAL HGx% 1.0 . 3.62 78 46 A 12 VAL HA A 12 VAL HGy% 1.0 . 3.62 79 47 A 12 VAL HA A 13 LYS HGx 1.0 . 4.37 80 47 A 12 VAL HA A 13 LYS HGy 1.0 . 4.37 81 48 A 12 VAL HB A 13 LYS HA 1.0 . 4.78 82 49 A 45 ILE HD1% A 41 ALA HA 1.0 . 4.70 83 50 A 20 VAL H A 19 ALA HB% 1.0 . 3.63 84 51 A 40 GLU HA A 40 GLU HGx 1.0 . 3.95 85 51 A 40 GLU HA A 40 GLU HGy 1.0 . 3.95 86 52 A 40 GLU HA A 41 ALA HB% 1.0 . 5.24 87 53 A 40 GLU H A 40 GLU HGx 1.0 . 4.05 88 53 A 40 GLU HGy A 40 GLU H 1.0 . 4.05 89 54 A 38 ILE HA A 41 ALA HB% 1.0 . 4.46 90 55 A 38 ILE HB A 35 ALA HA 1.0 . 4.27 91 56 A 17 GLU HA A 19 ALA H 1.0 . 4.10 92 57 A 33 ILE HD1% A 33 ILE HB 1.0 . 3.70 93 58 A 45 ILE HD1% A 45 ILE HB 1.0 . 3.76 94 59 A 35 ALA HB% A 32 GLN HBx 1.0 . 4.62 95 59 A 32 GLN HBy A 35 ALA HB% 1.0 . 4.62 96 60 A 15 ALA HB% A 18 GLN HGx 1.0 . 5.09 97 60 A 18 GLN HGy A 15 ALA HB% 1.0 . 5.09 98 61 A 19 ALA HB% A 18 GLN HGx 1.0 . 5.50 99 61 A 18 GLN HGy A 19 ALA HB% 1.0 . 5.50 100 62 A 29 ARG HA A 29 ARG HDx 1.0 . 4.27 101 62 A 29 ARG HA A 29 ARG HDy 1.0 . 4.27 102 63 A 19 ALA HA A 22 GLU HBx 1.0 . 3.53 103 63 A 19 ALA HA A 22 GLU HBy 1.0 . 3.53 104 64 A 1 MET H A 1 MET HGx 1.0 . 4.92 105 64 A 1 MET H A 1 MET HGy 1.0 . 4.92 106 65 A 3 VAL H A 2 GLY HAx 1.0 . 3.40 107 65 A 2 GLY HAy A 3 VAL H 1.0 . 3.40 108 66 A 3 VAL H A 2 GLY H 1.0 . 4.97 109 67 A 3 VAL H A 3 VAL HGx% 1.0 . 3.65 110 67 A 3 VAL HGy% A 3 VAL H 1.0 . 3.65 111 68 A 3 VAL H A 3 VAL HB 1.0 . 3.75 112 69 A 4 SER H A 4 SER HBx 1.0 . 4.06 113 69 A 4 SER H A 4 SER HBy 1.0 . 4.06 114 70 A 3 VAL HA A 4 SER H 1.0 . 3.54 115 71 A 5 VAL H A 4 SER HBx 1.0 . 4.04 116 71 A 4 SER HBy A 5 VAL H 1.0 . 4.04 117 72 A 5 VAL H A 4 SER HA 1.0 . 3.18 118 73 A 5 VAL HB A 5 VAL H 1.0 . 3.90 119 74 A 5 VAL H A 5 VAL HGx% 1.0 . 3.36 120 74 A 5 VAL HGy% A 5 VAL H 1.0 . 3.36 121 75 A 5 VAL HA A 6 MET H 1.0 . 3.29 122 76 A 6 MET H A 6 MET HBx 1.0 . 3.52 123 76 A 6 MET H A 6 MET HBy 1.0 . 3.52 124 77 A 6 MET H A 5 VAL HGx% 1.0 . 3.96 125 77 A 5 VAL HGy% A 6 MET H 1.0 . 3.96 126 78 A 5 VAL H A 6 MET H 1.0 . 3.69 127 79 A 7 GLU H A 7 GLU HBx 1.0 . 3.41 128 79 A 7 GLU H A 7 GLU HBy 1.0 . 3.41 129 80 A 7 GLU H A 7 GLU HGx 1.0 . 3.95 130 80 A 7 GLU H A 7 GLU HGy 1.0 . 3.95 131 81 A 8 ALA HB% A 8 ALA H 1.0 . 3.26 132 82 A 8 ALA HB% A 9 ILE H 1.0 . 3.60 133 83 A 9 ILE H A 5 VAL HGx% 1.0 . 4.19 134 83 A 5 VAL HGy% A 9 ILE H 1.0 . 4.19 135 84 A 9 ILE HD1% A 9 ILE H 1.0 . 4.39 136 85 A 9 ILE H A 9 ILE HG2% 1.0 . 4.00 137 86 A 9 ILE HB A 9 ILE H 1.0 . 3.31 138 87 A 28 ASN H A 28 ASN HBx 1.0 . 3.40 139 87 A 28 ASN HBy A 28 ASN H 1.0 . 3.40 140 88 A 25 GLU HA A 28 ASN H 1.0 . 3.96 141 89 A 29 ARG H A 28 ASN HBx 1.0 . 3.76 142 89 A 28 ASN HBy A 29 ARG H 1.0 . 3.76 143 90 A 29 ARG H A 29 ARG HGy 1.0 . 4.26 144 90 A 29 ARG H A 29 ARG HGx 1.0 . 4.26 145 91 A 29 ARG H A 29 ARG HDx 1.0 . 5.10 146 91 A 29 ARG HDy A 29 ARG H 1.0 . 5.10 147 92 A 3 VAL H A 4 SER HA 1.0 . 5.43 148 93 A 20 VAL HB A 20 VAL H 1.0 . 3.72 149 94 A 20 VAL H A 20 VAL HGy% 1.0 . 4.94 150 95 A 14 LEU H A 13 LYS HA 1.0 . 3.37 151 96 A 14 LEU H A 13 LYS HBy 1.0 . 4.42 152 97 A 15 ALA HB% A 15 ALA H 1.0 . 3.10 153 98 A 16 GLU H A 16 GLU HBx 1.0 . 3.23 154 98 A 16 GLU HBy A 16 GLU H 1.0 . 3.23 155 99 A 16 GLU H A 15 ALA HB% 1.0 . 3.72 156 100 A 16 GLU H A 16 GLU HGx 1.0 . 3.97 157 101 A 40 GLU H A 39 GLU HGx 1.0 . 4.57 158 101 A 40 GLU H A 39 GLU HGy 1.0 . 4.57 159 102 A 45 ILE HD1% A 44 LEU H 1.0 . 5.31 160 103 A 44 LEU H A 43 LYS HBy 1.0 . 4.06 161 104 A 45 ILE HB A 45 ILE H 1.0 . 3.62 162 105 A 45 ILE H A 44 LEU HA 1.0 . 3.50 163 106 A 45 ILE H A 46 ALA H 1.0 . 4.46 164 107 A 45 ILE HD1% A 45 ILE H 1.0 . 4.88 165 108 A 45 ILE H A 45 ILE HG2% 1.0 . 4.24 166 109 A 45 ILE HA A 46 ALA H 1.0 . 3.56 167 110 A 45 ILE HB A 46 ALA H 1.0 . 4.64 168 111 A 46 ALA H A 46 ALA HB% 1.0 . 3.69 169 112 A 46 ALA HA A 47 CYS H 1.0 . 3.37 170 113 A 46 ALA HB% A 47 CYS H 1.0 . 5.05 171 114 A 41 ALA HB% A 42 LYS H 1.0 . 3.80 172 115 A 43 LYS H A 42 LYS HBx 1.0 . 3.84 173 115 A 42 LYS HBy A 43 LYS H 1.0 . 3.84 174 116 A 43 LYS H A 43 LYS HGx 1.0 . 4.74 175 116 A 43 LYS H A 43 LYS HGy 1.0 . 4.74 176 117 A 42 LYS H A 42 LYS HBx 1.0 . 3.52 177 117 A 42 LYS H A 42 LYS HBy 1.0 . 3.52 178 118 A 42 LYS H A 42 LYS HDx 1.0 . 4.06 179 118 A 42 LYS H A 42 LYS HDy 1.0 . 4.06 180 119 A 45 ILE HD1% A 42 LYS H 1.0 . 5.02 181 120 A 41 ALA HB% A 41 ALA H 1.0 . 2.93 182 121 A 39 GLU H A 39 GLU HBx 1.0 . 3.20 183 121 A 39 GLU H A 39 GLU HBy 1.0 . 3.20 184 122 A 39 GLU H A 39 GLU HGx 1.0 . 4.23 185 122 A 39 GLU HGy A 39 GLU H 1.0 . 4.23 186 123 A 38 ILE HB A 38 ILE H 1.0 . 3.29 187 124 A 38 ILE HD1% A 38 ILE H 1.0 . 3.85 188 125 A 38 ILE H A 38 ILE HG2% 1.0 . 4.12 189 126 A 38 ILE HG1y A 38 ILE H 1.0 . 3.57 190 127 A 37 ALA H A 37 ALA HB% 1.0 . 2.86 191 128 A 33 ILE HD1% A 33 ILE H 1.0 . 3.87 192 129 A 33 ILE H A 33 ILE HG2% 1.0 . 3.88 193 130 A 34 LYS H A 35 ALA H 1.0 . 3.74 194 131 A 35 ALA HB% A 35 ALA H 1.0 . 2.94 195 132 A 34 LYS H A 31 GLU HA 1.0 . 3.83 196 133 A 33 ILE HB A 34 LYS H 1.0 . 3.21 197 134 A 34 LYS H A 34 LYS HDx 1.0 . 4.75 198 134 A 34 LYS H A 34 LYS HDy 1.0 . 4.75 199 135 A 35 ALA HB% A 34 LYS H 1.0 . 5.25 200 136 A 28 ASN H A 27 LYS H 1.0 . 3.90 201 137 A 22 GLU H A 23 ILE H 1.0 . 3.70 202 138 A 27 LYS H A 25 GLU H 1.0 . 5.48 203 139 A 25 GLU H A 24 GLU HBx 1.0 . 3.54 204 139 A 25 GLU H A 24 GLU HBy 1.0 . 3.54 205 140 A 25 GLU H A 25 GLU HBx 1.0 . 3.66 206 140 A 25 GLU HBy A 25 GLU H 1.0 . 3.66 207 141 A 25 GLU H A 24 GLU HGx 1.0 . 4.10 208 141 A 25 GLU H A 24 GLU HGy 1.0 . 4.10 209 142 A 24 GLU H A 24 GLU HGx 1.0 . 4.06 210 142 A 24 GLU HGy A 24 GLU H 1.0 . 4.06 211 143 A 24 GLU H A 24 GLU HBx 1.0 . 3.14 212 143 A 24 GLU HBy A 24 GLU H 1.0 . 3.14 213 144 A 23 ILE HG2% A 23 ILE H 1.0 . 4.14 214 145 A 23 ILE HG1y A 23 ILE H 1.0 . 3.62 215 146 A 23 ILE HB A 23 ILE H 1.0 . 3.81 216 147 A 23 ILE HD1% A 23 ILE H 1.0 . 3.92 217 148 A 25 GLU H A 26 ALA H 1.0 . 3.65 218 149 A 12 VAL H A 12 VAL HGx% 1.0 . 3.47 219 149 A 12 VAL HGy% A 12 VAL H 1.0 . 3.47 220 150 A 12 VAL HB A 12 VAL H 1.0 . 3.78 221 151 A 19 ALA HB% A 19 ALA H 1.0 . 3.04 222 152 A 1 MET H A 2 GLY H 1.0 . 5.50 223 153 A 2 GLY H A 1 MET HBx 1.0 . 5.08 224 153 A 1 MET HBy A 2 GLY H 1.0 . 5.08 225 154 A 4 SER H A 3 VAL HGx% 1.0 . 4.40 226 154 A 3 VAL HGy% A 4 SER H 1.0 . 4.40 227 155 A 4 SER H A 5 VAL HGx% 1.0 . 5.01 228 155 A 5 VAL HGy% A 4 SER H 1.0 . 5.01 229 156 A 4 SER H A 3 VAL HB 1.0 . 4.34 230 157 A 7 GLU H A 4 SER HBx 1.0 . 5.50 231 157 A 7 GLU H A 4 SER HBy 1.0 . 5.50 232 158 A 17 GLU H A 17 GLU HBx 1.0 . 2.96 233 158 A 17 GLU H A 17 GLU HBy 1.0 . 2.96 234 159 A 20 VAL HA A 23 ILE H 1.0 . 4.75 235 160 A 35 ALA HA A 38 ILE H 1.0 . 4.25 236 161 A 40 GLU H A 41 ALA H 1.0 . 3.59 237 162 A 40 GLU H A 39 GLU H 1.0 . 3.76 238 163 A 39 GLU H A 38 ILE H 1.0 . 3.49 239 164 A 41 ALA H A 40 GLU HBx 1.0 . 3.50 240 164 A 40 GLU HBy A 41 ALA H 1.0 . 3.50 241 165 A 41 ALA H A 40 GLU HGx 1.0 . 4.64 242 165 A 40 GLU HGy A 41 ALA H 1.0 . 4.64 243 166 A 45 ILE HD1% A 46 ALA H 1.0 . 4.60 244 167 A 44 LEU H A 43 LYS HGx 1.0 . 5.41 245 167 A 44 LEU H A 43 LYS HGy 1.0 . 5.41 246 168 A 44 LEU H A 43 LYS H 1.0 . 3.10 247 169 A 42 LYS H A 43 LYS H 1.0 . 3.51 248 170 A 28 ASN HA A 31 GLU H 1.0 . 4.77 249 171 A 28 ASN HA A 32 GLN H 1.0 . 4.79 250 172 A 33 ILE HA A 36 GLU H 1.0 . 4.51 251 173 A 38 ILE HA A 37 ALA H 1.0 . 5.38 252 174 A 46 ALA H A 47 CYS H 1.0 . 5.50 253 175 A 35 ALA H A 36 GLU H 1.0 . 3.84 254 176 A 37 ALA H A 36 GLU H 1.0 . 3.43 255 177 A 37 ALA H A 35 ALA H 1.0 . 4.50 256 178 A 40 GLU H A 38 ILE H 1.0 . 5.50 257 179 A 34 LYS H A 36 GLU H 1.0 . 5.43 258 180 A 20 VAL H A 19 ALA H 1.0 . 3.98 259 181 A 22 GLU H A 21 LYS H 1.0 . 3.89 260 182 A 23 ILE H A 24 GLU H 1.0 . 3.73 261 183 A 23 ILE H A 25 GLU H 1.0 . 5.15 262 184 A 42 LYS H A 41 ALA H 1.0 . 3.48 263 185 A 33 ILE H A 34 LYS H 1.0 . 3.70 264 186 A 14 LEU H A 14 LEU HBy 1.0 . 4.08 265 187 A 31 GLU H A 31 GLU HGx 1.0 . 3.99 266 187 A 31 GLU HGy A 31 GLU H 1.0 . 3.99 267 188 A 37 ALA HA A 40 GLU H 1.0 . 4.34 268 189 A 38 ILE H A 37 ALA H 1.0 . 3.61 269 190 A 18 GLN H A 19 ALA H 1.0 . 3.75 270 191 A 7 GLU H A 5 VAL HGx% 1.0 . 4.55 271 191 A 5 VAL HGy% A 7 GLU H 1.0 . 4.55 272 192 A 8 ALA H A 7 GLU HGx 1.0 . 5.01 273 192 A 7 GLU HGy A 8 ALA H 1.0 . 5.01 274 193 A 8 ALA H A 7 GLU HBx 1.0 . 4.13 275 193 A 7 GLU HBy A 8 ALA H 1.0 . 4.13 276 194 A 8 ALA H A 5 VAL HGx% 1.0 . 4.60 277 194 A 5 VAL HGy% A 8 ALA H 1.0 . 4.60 278 195 A 5 VAL HA A 8 ALA H 1.0 . 4.59 279 196 A 23 ILE HB A 24 GLU H 1.0 . 4.00 280 197 A 23 ILE HG1y A 24 GLU H 1.0 . 4.40 281 198 A 26 ALA HB% A 24 GLU H 1.0 . 5.04 282 199 A 23 ILE HD1% A 24 GLU H 1.0 . 3.85 283 200 A 12 VAL H A 11 GLU HGx 1.0 . 4.97 284 200 A 12 VAL H A 11 GLU HGy 1.0 . 4.97 285 201 A 12 VAL H A 11 GLU HA 1.0 . 3.53 286 202 A 17 GLU HA A 20 VAL H 1.0 . 4.36 287 203 A 37 ALA H A 34 LYS HA 1.0 . 3.76 288 204 A 10 LYS HA A 11 GLU H 1.0 . 3.25 289 205 A 11 GLU H A 10 LYS H 1.0 . 4.18 290 206 A 11 GLU H A 10 LYS HGy 1.0 . 4.99 291 207 A 11 GLU H A 10 LYS HBx 1.0 . 4.11 292 207 A 11 GLU H A 10 LYS HBy 1.0 . 4.11 293 208 A 11 GLU H A 11 GLU HBx 1.0 . 3.47 294 208 A 11 GLU H A 11 GLU HBy 1.0 . 3.47 295 209 A 11 GLU H A 11 GLU HGx 1.0 . 4.13 296 209 A 11 GLU HGy A 11 GLU H 1.0 . 4.13 297 210 A 28 ASN HD2y A 31 GLU HBx 1.0 . 5.01 298 210 A 31 GLU HBy A 28 ASN HD2y 1.0 . 5.01 299 211 A 28 ASN HD2y A 24 GLU HGx 1.0 . 4.73 300 211 A 24 GLU HGy A 28 ASN HD2y 1.0 . 4.73 301 212 A 28 ASN HD2y A 24 GLU HA 1.0 . 5.50 302 213 A 25 GLU HA A 28 ASN HD2y 1.0 . 5.50 303 214 A 18 GLN HE2x A 18 GLN HBx 1.0 . 4.95 304 214 A 18 GLN HBy A 18 GLN HE2x 1.0 . 4.95 305 215 A 38 ILE HA A 41 ALA H 1.0 . 4.45 306 216 A 31 GLU H A 28 ASN HBx 1.0 . 5.50 307 216 A 28 ASN HBy A 31 GLU H 1.0 . 5.50 308 217 A 30 ALA HB% A 32 GLN H 1.0 . 4.99 309 218 A 35 ALA HB% A 32 GLN H 1.0 . 5.50 310 219 A 4 SER H A 3 VAL H 1.0 . 4.72 311 220 A 6 MET H A 4 SER HBx 1.0 . 4.91 312 220 A 4 SER HBy A 6 MET H 1.0 . 4.91 313 221 A 6 MET H A 6 MET HGx 1.0 . 4.48 314 221 A 6 MET HGy A 6 MET H 1.0 . 4.48 315 222 A 25 GLU H A 24 GLU H 1.0 . 3.80 316 223 A 7 GLU H A 6 MET HBx 1.0 . 3.74 317 223 A 7 GLU H A 6 MET HBy 1.0 . 3.74 318 224 A 6 MET HA A 9 ILE H 1.0 . 4.48 319 225 A 5 VAL HB A 9 ILE H 1.0 . 4.91 320 226 A 9 ILE H A 7 GLU HGx 1.0 . 5.50 321 226 A 7 GLU HGy A 9 ILE H 1.0 . 5.50 322 227 A 9 ILE HD1% A 10 LYS H 1.0 . 4.79 323 228 A 8 ALA HB% A 10 LYS H 1.0 . 5.38 324 229 A 10 LYS H A 10 LYS HGy 1.0 . 5.50 325 230 A 10 LYS H A 10 LYS HGx 1.0 . 5.50 326 231 A 10 LYS H A 10 LYS HBx 1.0 . 3.53 327 231 A 10 LYS H A 10 LYS HBy 1.0 . 3.53 328 232 A 9 ILE H A 10 LYS H 1.0 . 4.07 329 233 A 17 GLU H A 15 ALA HB% 1.0 . 4.63 330 234 A 17 GLU H A 16 GLU HGy 1.0 . 4.90 331 235 A 17 GLU H A 17 GLU HGy 1.0 . 5.24 332 236 A 17 GLU H A 16 GLU HGx 1.0 . 4.90 333 237 A 19 ALA HA A 22 GLU H 1.0 . 4.41 334 238 A 30 ALA HB% A 31 GLU H 1.0 . 3.80 335 239 A 30 ALA H A 30 ALA HB% 1.0 . 3.01 336 240 A 10 LYS H A 10 LYS HEx 1.0 . 5.50 337 240 A 10 LYS H A 10 LYS HEy 1.0 . 5.50 338 241 A 19 ALA H A 18 GLN HBx 1.0 . 3.52 339 241 A 18 GLN HBy A 19 ALA H 1.0 . 3.52 340 242 A 19 ALA H A 16 GLU HA 1.0 . 3.98 341 243 A 31 GLU H A 31 GLU HBx 1.0 . 3.38 342 243 A 31 GLU HBy A 31 GLU H 1.0 . 3.38 343 244 A 32 GLN H A 32 GLN HBx 1.0 . 3.12 344 244 A 32 GLN HBy A 32 GLN H 1.0 . 3.12 345 245 A 32 GLN H A 31 GLU HGx 1.0 . 4.78 346 245 A 31 GLU HGy A 32 GLN H 1.0 . 4.78 347 246 A 34 LYS H A 34 LYS HEx 1.0 . 5.32 348 246 A 34 LYS H A 34 LYS HEy 1.0 . 5.32 349 247 A 33 ILE HD1% A 34 LYS H 1.0 . 4.60 350 248 A 33 ILE HG2% A 34 LYS H 1.0 . 5.12 351 249 A 34 LYS H A 34 LYS HGx 1.0 . 4.53 352 249 A 34 LYS H A 34 LYS HGy 1.0 . 4.53 353 250 A 40 GLU H A 40 GLU HBx 1.0 . 2.86 354 250 A 40 GLU HBy A 40 GLU H 1.0 . 2.86 355 251 A 27 LYS H A 27 LYS HEx 1.0 . 5.50 356 251 A 27 LYS H A 27 LYS HEy 1.0 . 5.50 357 252 A 27 LYS H A 28 ASN HBx 1.0 . 5.50 358 252 A 28 ASN HBy A 27 LYS H 1.0 . 5.50 359 253 A 26 ALA HB% A 27 LYS H 1.0 . 3.54 360 254 A 27 LYS H A 27 LYS HGx 1.0 . 4.88 361 254 A 27 LYS H A 27 LYS HGy 1.0 . 4.88 362 255 A 22 GLU H A 22 GLU HBx 1.0 . 3.30 363 255 A 22 GLU HBy A 22 GLU H 1.0 . 3.30 364 256 A 22 GLU H A 22 GLU HGy 1.0 . 4.84 365 257 A 22 GLU H A 22 GLU HGx 1.0 . 4.84 366 258 A 21 LYS H A 21 LYS HBx 1.0 . 3.28 367 258 A 21 LYS H A 21 LYS HBy 1.0 . 3.28 368 259 A 26 ALA HB% A 26 ALA H 1.0 . 3.01 369 260 A 21 LYS H A 21 LYS HDx 1.0 . 4.91 370 260 A 21 LYS H A 21 LYS HDy 1.0 . 4.91 371 261 A 23 ILE HG1y A 21 LYS H 1.0 . 5.34 372 262 A 18 GLN H A 18 GLN HBx 1.0 . 3.01 373 262 A 18 GLN H A 18 GLN HBy 1.0 . 3.01 374 263 A 13 LYS H A 13 LYS HGx 1.0 . 4.35 375 263 A 13 LYS HGy A 13 LYS H 1.0 . 4.35 376 264 A 10 LYS H A 10 LYS HDx 1.0 . 5.37 377 264 A 10 LYS H A 10 LYS HDy 1.0 . 5.37 378 265 A 4 SER H A 5 VAL H 1.0 . 5.02 379 266 A 8 ALA H A 9 ILE H 1.0 . 4.31 380 267 A 9 ILE HG2% A 10 LYS H 1.0 . 5.50 381 268 A 12 VAL H A 11 GLU HBx 1.0 . 4.23 382 268 A 12 VAL H A 11 GLU HBy 1.0 . 4.23 383 269 A 12 VAL H A 11 GLU H 1.0 . 4.33 384 270 A 12 VAL HB A 13 LYS H 1.0 . 4.03 385 271 A 14 LEU HA A 13 LYS H 1.0 . 5.13 386 272 A 12 VAL H A 13 LYS H 1.0 . 4.87 387 273 A 14 LEU H A 13 LYS HGx 1.0 . 4.92 388 273 A 14 LEU H A 13 LYS HGy 1.0 . 4.92 389 274 A 14 LEU H A 15 ALA HB% 1.0 . 5.37 390 275 A 14 LEU H A 13 LYS HBx 1.0 . 4.42 391 276 A 14 LEU H A 12 VAL HB 1.0 . 5.50 392 277 A 14 LEU H A 15 ALA H 1.0 . 3.43 393 278 A 12 VAL HB A 15 ALA H 1.0 . 5.50 394 279 A 15 ALA H A 16 GLU HBx 1.0 . 5.50 395 279 A 16 GLU HBy A 15 ALA H 1.0 . 5.50 396 280 A 14 LEU HA A 16 GLU H 1.0 . 4.16 397 281 A 16 GLU H A 18 GLN H 1.0 . 4.47 398 282 A 17 GLU H A 15 ALA HA 1.0 . 4.48 399 283 A 17 GLU H A 15 ALA H 1.0 . 4.44 400 284 A 18 GLN H A 15 ALA HB% 1.0 . 4.78 401 285 A 18 GLN H A 19 ALA HB% 1.0 . 5.19 402 286 A 18 GLN H A 15 ALA HA 1.0 . 4.51 403 287 A 19 ALA H A 18 GLN HGx 1.0 . 4.43 404 287 A 18 GLN HGy A 19 ALA H 1.0 . 4.43 405 288 A 18 GLN H A 20 VAL H 1.0 . 5.46 406 289 A 21 LYS H A 20 VAL HGx% 1.0 . 4.73 407 290 A 20 VAL HB A 21 LYS H 1.0 . 3.94 408 291 A 26 ALA H A 25 GLU HGx 1.0 . 5.19 409 292 A 19 ALA HB% A 22 GLU H 1.0 . 5.16 410 293 A 22 GLU H A 21 LYS HGx 1.0 . 5.37 411 293 A 22 GLU H A 21 LYS HGy 1.0 . 5.37 412 294 A 23 ILE HG1y A 22 GLU H 1.0 . 5.15 413 295 A 22 GLU H A 21 LYS HBx 1.0 . 3.79 414 295 A 22 GLU H A 21 LYS HBy 1.0 . 3.79 415 296 A 23 ILE H A 21 LYS H 1.0 . 4.71 416 297 A 23 ILE H A 22 GLU HBx 1.0 . 3.68 417 297 A 22 GLU HBy A 23 ILE H 1.0 . 3.68 418 298 A 21 LYS HA A 24 GLU H 1.0 . 4.49 419 299 A 24 GLU H A 22 GLU HA 1.0 . 5.05 420 300 A 23 ILE HG2% A 24 GLU H 1.0 . 5.43 421 301 A 23 ILE HA A 25 GLU H 1.0 . 5.03 422 302 A 25 GLU H A 21 LYS HGx 1.0 . 5.49 423 302 A 25 GLU H A 21 LYS HGy 1.0 . 5.49 424 303 A 26 ALA HB% A 25 GLU H 1.0 . 5.50 425 304 A 23 ILE HG1y A 25 GLU H 1.0 . 5.07 426 305 A 25 GLU H A 21 LYS HBx 1.0 . 5.50 427 305 A 25 GLU H A 21 LYS HBy 1.0 . 5.50 428 306 A 21 LYS H A 20 VAL HGy% 1.0 . 4.73 429 307 A 26 ALA H A 25 GLU HBx 1.0 . 3.54 430 307 A 25 GLU HBy A 26 ALA H 1.0 . 3.54 431 308 A 26 ALA H A 25 GLU HGy 1.0 . 5.19 432 309 A 23 ILE HA A 26 ALA H 1.0 . 4.44 433 310 A 24 GLU H A 26 ALA H 1.0 . 4.18 434 311 A 23 ILE HD1% A 27 LYS H 1.0 . 5.29 435 312 A 27 LYS H A 29 ARG HGy 1.0 . 4.98 436 312 A 29 ARG HGx A 27 LYS H 1.0 . 4.98 437 313 A 27 LYS H A 24 GLU HBx 1.0 . 5.50 438 313 A 27 LYS H A 24 GLU HBy 1.0 . 5.50 439 314 A 27 LYS H A 25 GLU HBx 1.0 . 5.50 440 314 A 25 GLU HBy A 27 LYS H 1.0 . 5.50 441 315 A 27 LYS H A 24 GLU HGx 1.0 . 5.15 442 315 A 27 LYS H A 24 GLU HGy 1.0 . 5.15 443 316 A 23 ILE HA A 27 LYS H 1.0 . 5.30 444 317 A 28 ASN H A 25 GLU HBx 1.0 . 5.40 445 317 A 25 GLU HBy A 28 ASN H 1.0 . 5.40 446 318 A 28 ASN H A 31 GLU HBx 1.0 . 5.50 447 318 A 31 GLU HBy A 28 ASN H 1.0 . 5.50 448 319 A 28 ASN H A 24 GLU HGx 1.0 . 5.50 449 319 A 28 ASN H A 24 GLU HGy 1.0 . 5.50 450 320 A 26 ALA HB% A 28 ASN H 1.0 . 5.19 451 321 A 28 ASN H A 27 LYS HDx 1.0 . 5.50 452 321 A 28 ASN H A 27 LYS HDy 1.0 . 5.50 453 322 A 28 ASN H A 27 LYS HGx 1.0 . 5.32 454 322 A 28 ASN H A 27 LYS HGy 1.0 . 5.32 455 323 A 30 ALA HB% A 29 ARG H 1.0 . 4.55 456 324 A 30 ALA H A 29 ARG HGy 1.0 . 4.63 457 324 A 30 ALA H A 29 ARG HGx 1.0 . 4.63 458 325 A 38 ILE HB A 39 GLU H 1.0 . 3.96 459 326 A 30 ALA H A 29 ARG HDx 1.0 . 5.28 460 326 A 30 ALA H A 29 ARG HDy 1.0 . 5.28 461 327 A 33 ILE HB A 33 ILE H 1.0 . 3.17 462 328 A 32 GLN H A 31 GLU HBx 1.0 . 3.84 463 328 A 31 GLU HBy A 32 GLN H 1.0 . 3.84 464 329 A 30 ALA H A 32 GLN H 1.0 . 4.04 465 330 A 31 GLU H A 32 GLN H 1.0 . 3.58 466 331 A 33 ILE H A 32 GLN HBx 1.0 . 3.68 467 331 A 32 GLN HBy A 33 ILE H 1.0 . 3.68 468 332 A 34 LYS H A 31 GLU HBx 1.0 . 5.27 469 332 A 31 GLU HBy A 34 LYS H 1.0 . 5.27 470 333 A 33 ILE H A 35 ALA H 1.0 . 3.57 471 334 A 38 ILE HD1% A 36 GLU H 1.0 . 5.01 472 335 A 35 ALA HB% A 36 GLU H 1.0 . 3.51 473 336 A 36 GLU H A 36 GLU HBx 1.0 . 3.25 474 336 A 36 GLU HBy A 36 GLU H 1.0 . 3.25 475 337 A 38 ILE H A 36 GLU H 1.0 . 4.78 476 338 A 38 ILE HD1% A 37 ALA H 1.0 . 4.84 477 339 A 37 ALA H A 36 GLU HBx 1.0 . 3.42 478 339 A 36 GLU HBy A 37 ALA H 1.0 . 3.42 479 340 A 37 ALA H A 34 LYS HBx 1.0 . 5.50 480 341 A 38 ILE H A 37 ALA HB% 1.0 . 3.52 481 342 A 38 ILE H A 36 GLU HBx 1.0 . 5.50 482 342 A 36 GLU HBy A 38 ILE H 1.0 . 5.50 483 343 A 38 ILE H A 39 GLU HBx 1.0 . 5.50 484 343 A 39 GLU HBy A 38 ILE H 1.0 . 5.50 485 344 A 38 ILE HD1% A 39 GLU H 1.0 . 4.22 486 345 A 38 ILE HG1y A 39 GLU H 1.0 . 5.16 487 346 A 37 ALA HA A 39 GLU H 1.0 . 5.30 488 347 A 38 ILE HA A 40 GLU H 1.0 . 5.50 489 348 A 41 ALA HB% A 40 GLU H 1.0 . 4.52 490 349 A 45 ILE HD1% A 41 ALA H 1.0 . 5.49 491 350 A 42 LYS H A 39 GLU HBx 1.0 . 5.50 492 350 A 42 LYS H A 39 GLU HBy 1.0 . 5.50 493 351 A 42 LYS H A 40 GLU HBx 1.0 . 5.50 494 351 A 40 GLU HBy A 42 LYS H 1.0 . 5.50 495 352 A 42 LYS H A 39 GLU HGx 1.0 . 5.50 496 352 A 39 GLU HGy A 42 LYS H 1.0 . 5.50 497 353 A 42 LYS H A 40 GLU HGx 1.0 . 5.50 498 353 A 40 GLU HGy A 42 LYS H 1.0 . 5.50 499 354 A 44 LEU H A 43 LYS HBx 1.0 . 4.06 500 355 A 38 ILE H A 39 GLU HGx 1.0 . 5.50 501 355 A 39 GLU HGy A 38 ILE H 1.0 . 5.50 502 356 A 6 MET HA A 8 ALA H 1.0 . 4.99 503 357 A 5 VAL HB A 10 LYS H 1.0 . 5.47 504 358 A 11 GLU H A 12 VAL HGx% 1.0 . 4.73 505 358 A 12 VAL HGy% A 11 GLU H 1.0 . 4.73 506 359 A 11 GLU H A 10 LYS HGx 1.0 . 4.99 507 360 A 12 VAL H A 10 LYS HBx 1.0 . 5.50 508 360 A 12 VAL H A 10 LYS HBy 1.0 . 5.50 509 361 A 13 LYS H A 12 VAL HGx% 1.0 . 4.35 510 361 A 12 VAL HGy% A 13 LYS H 1.0 . 4.35 511 362 A 20 VAL HA A 19 ALA H 1.0 . 5.41 512 363 A 20 VAL H A 21 LYS HBx 1.0 . 5.28 513 363 A 20 VAL H A 21 LYS HBy 1.0 . 5.28 514 364 A 23 ILE HA A 22 GLU H 1.0 . 5.33 515 365 A 19 ALA HA A 23 ILE H 1.0 . 5.36 516 366 A 19 ALA HB% A 23 ILE H 1.0 . 4.88 517 367 A 26 ALA HB% A 23 ILE H 1.0 . 5.50 518 368 A 23 ILE HD1% A 25 GLU H 1.0 . 5.23 519 369 A 25 GLU H A 28 ASN HBx 1.0 . 5.45 520 369 A 28 ASN HBy A 25 GLU H 1.0 . 5.45 521 370 A 21 LYS H A 21 LYS HEx 1.0 . 5.50 522 370 A 21 LYS H A 21 LYS HEy 1.0 . 5.50 523 371 A 26 ALA H A 28 ASN HBx 1.0 . 5.50 524 371 A 28 ASN HBy A 26 ALA H 1.0 . 5.50 525 372 A 28 ASN H A 29 ARG HGy 1.0 . 5.50 526 372 A 28 ASN H A 29 ARG HGx 1.0 . 5.50 527 373 A 39 GLU H A 38 ILE HG2% 1.0 . 4.87 528 374 A 31 GLU H A 29 ARG HGy 1.0 . 5.50 529 374 A 29 ARG HGx A 31 GLU H 1.0 . 5.50 530 375 A 32 GLN H A 28 ASN HBx 1.0 . 5.22 531 375 A 28 ASN HBy A 32 GLN H 1.0 . 5.22 532 376 A 35 ALA H A 31 GLU HBx 1.0 . 5.01 533 376 A 31 GLU HBy A 35 ALA H 1.0 . 5.01 534 377 A 38 ILE HB A 36 GLU H 1.0 . 5.50 535 378 A 38 ILE HG1y A 40 GLU H 1.0 . 5.50 536 379 A 38 ILE HG1y A 41 ALA H 1.0 . 5.50 537 380 A 40 GLU H A 42 LYS H 1.0 . 5.02 538 381 A 12 VAL HA A 13 LYS H 1.0 . 3.47 539 382 A 17 GLU H A 18 GLN H 1.0 . 3.58 540 383 A 20 VAL H A 18 GLN HA 1.0 . 4.94 541 384 A 3 VAL H A 5 VAL H 1.0 . 5.05 542 385 A 9 ILE HB A 8 ALA H 1.0 . 5.15 543 386 A 28 ASN HD2x A 28 ASN HBx 1.0 . 3.56 544 386 A 28 ASN HBy A 28 ASN HD2x 1.0 . 3.56 545 387 A 28 ASN H A 28 ASN HD2y 1.0 . 5.23 546 388 A 28 ASN HD2x A 24 GLU HGx 1.0 . 4.65 547 388 A 24 GLU HGy A 28 ASN HD2x 1.0 . 4.65 548 389 A 25 GLU HA A 28 ASN HD2x 1.0 . 5.50 549 390 A 28 ASN HA A 28 ASN HD2x 1.0 . 4.85 550 391 A 28 ASN H A 28 ASN HD2x 1.0 . 4.87 551 392 A 32 GLN HE2x A 32 GLN HBx 1.0 . 5.08 552 392 A 32 GLN HBy A 32 GLN HE2x 1.0 . 5.08 553 393 A 32 GLN H A 32 GLN HE2y 1.0 . 5.50 554 394 A 33 ILE H A 32 GLN HE2y 1.0 . 5.50 555 395 A 18 GLN HE2y A 18 GLN HBx 1.0 . 4.95 556 395 A 18 GLN HBy A 18 GLN HE2y 1.0 . 4.95 557 396 A 29 ARG H A 31 GLU H 1.0 . 4.31 558 397 A 30 ALA H A 31 GLU H 1.0 . 3.73 559 398 A 21 LYS HA A 25 GLU H 1.0 . 4.86 560 399 A 25 GLU H A 22 GLU HA 1.0 . 5.01 561 400 A 20 VAL HA A 24 GLU H 1.0 . 4.89 562 401 A 19 ALA H A 21 LYS H 1.0 . 4.38 563 402 A 20 VAL H A 21 LYS H 1.0 . 3.72 564 403 A 16 GLU H A 15 ALA H 1.0 . 3.71 565 404 A 42 LYS H A 39 GLU HA 1.0 . 5.50 566 405 A 37 ALA H A 34 LYS HBy 1.0 . 5.50 567 406 A 38 ILE HG1y A 37 ALA H 1.0 . 5.50 568 407 A 37 ALA H A 33 ILE HG2% 1.0 . 5.50 569 408 A 38 ILE HD1% A 35 ALA H 1.0 . 4.66 570 409 A 33 ILE HG2% A 35 ALA H 1.0 . 5.05 571 410 A 35 ALA HB% A 33 ILE H 1.0 . 4.56 572 411 A 31 GLU H A 28 ASN HD2y 1.0 . 5.50 573 412 A 30 ALA H A 29 ARG H 1.0 . 3.93 574 413 A 6 MET HA A 9 ILE HG1x 1.0 . 5.28 575 413 A 6 MET HA A 9 ILE HG1y 1.0 . 5.28 576 414 A 9 ILE H A 9 ILE HG1x 1.0 . 3.78 577 414 A 9 ILE H A 9 ILE HG1y 1.0 . 3.78 578 415 A 10 LYS H A 9 ILE HG1x 1.0 . 5.24 579 415 A 10 LYS H A 9 ILE HG1y 1.0 . 5.24 580 416 A 12 VAL H A 10 LYS HGy 1.0 . 4.68 581 416 A 12 VAL H A 10 LYS HGx 1.0 . 4.68 582 417 A 12 VAL HA A 13 LYS HBy 1.0 . 4.98 583 417 A 12 VAL HA A 13 LYS HBx 1.0 . 4.98 584 418 A 13 LYS H A 13 LYS HBy 1.0 . 3.43 585 418 A 13 LYS H A 13 LYS HBx 1.0 . 3.43 586 419 A 13 LYS HA A 14 LEU HDx% 1.0 . 5.24 587 419 A 13 LYS HA A 14 LEU HDy% 1.0 . 5.24 588 420 A 14 LEU H A 13 LYS HBy 1.0 . 3.77 589 420 A 14 LEU H A 13 LYS HBx 1.0 . 3.77 590 421 A 14 LEU H A 14 LEU HDx% 1.0 . 4.12 591 421 A 14 LEU H A 14 LEU HDy% 1.0 . 4.12 592 422 A 14 LEU H A 16 GLU HGx 1.0 . 5.34 593 422 A 14 LEU H A 16 GLU HGy 1.0 . 5.34 594 423 A 14 LEU HA A 14 LEU HDx% 1.0 . 3.84 595 423 A 14 LEU HA A 14 LEU HDy% 1.0 . 3.84 596 424 A 15 ALA H A 14 LEU HBx 1.0 . 3.96 597 424 A 15 ALA H A 14 LEU HBy 1.0 . 3.96 598 425 A 16 GLU H A 14 LEU HBx 1.0 . 4.96 599 425 A 16 GLU H A 14 LEU HBy 1.0 . 4.96 600 426 A 17 GLU H A 14 LEU HBx 1.0 . 5.05 601 426 A 17 GLU H A 14 LEU HBy 1.0 . 5.05 602 427 A 15 ALA H A 14 LEU HDx% 1.0 . 4.75 603 427 A 15 ALA H A 14 LEU HDy% 1.0 . 4.75 604 428 A 16 GLU H A 14 LEU HDx% 1.0 . 5.19 605 428 A 16 GLU H A 14 LEU HDy% 1.0 . 5.19 606 429 A 16 GLU H A 16 GLU HGx 1.0 . 3.48 607 429 A 16 GLU H A 16 GLU HGy 1.0 . 3.48 608 430 A 17 GLU H A 16 GLU HGx 1.0 . 4.31 609 430 A 17 GLU H A 16 GLU HGy 1.0 . 4.31 610 431 A 17 GLU H A 20 VAL HGx% 1.0 . 5.07 611 431 A 17 GLU H A 20 VAL HGy% 1.0 . 5.07 612 432 A 17 GLU HA A 20 VAL HGx% 1.0 . 4.00 613 432 A 17 GLU HA A 20 VAL HGy% 1.0 . 4.00 614 433 A 18 GLN H A 17 GLU HGx 1.0 . 4.37 615 433 A 18 GLN H A 17 GLU HGy 1.0 . 4.37 616 434 A 18 GLN HA A 18 GLN HE2y 1.0 . 5.17 617 434 A 18 GLN HE2x A 18 GLN HA 1.0 . 5.17 618 435 A 18 GLN HE2y A 18 GLN HBx 1.0 . 4.11 619 435 A 18 GLN HBy A 18 GLN HE2x 1.0 . 4.11 620 435 A 18 GLN HBy A 18 GLN HE2y 1.0 . 4.11 621 435 A 18 GLN HE2x A 18 GLN HBx 1.0 . 4.11 622 436 A 18 GLN HE2y A 18 GLN HGx 1.0 . 3.36 623 436 A 18 GLN HGy A 18 GLN HE2y 1.0 . 3.36 624 436 A 18 GLN HGy A 18 GLN HE2x 1.0 . 3.36 625 436 A 18 GLN HE2x A 18 GLN HGx 1.0 . 3.36 626 437 A 19 ALA H A 20 VAL HGx% 1.0 . 4.51 627 437 A 19 ALA H A 20 VAL HGy% 1.0 . 4.51 628 438 A 20 VAL H A 20 VAL HGx% 1.0 . 3.40 629 438 A 20 VAL H A 20 VAL HGy% 1.0 . 3.40 630 439 A 22 GLU H A 20 VAL HGx% 1.0 . 5.38 631 439 A 22 GLU H A 20 VAL HGy% 1.0 . 5.38 632 440 A 22 GLU H A 22 GLU HGx 1.0 . 4.11 633 440 A 22 GLU H A 22 GLU HGy 1.0 . 4.11 634 441 A 23 ILE H A 22 GLU HGx 1.0 . 4.39 635 441 A 23 ILE H A 22 GLU HGy 1.0 . 4.39 636 442 A 25 GLU H A 25 GLU HGx 1.0 . 4.25 637 442 A 25 GLU H A 25 GLU HGy 1.0 . 4.25 638 443 A 26 ALA H A 25 GLU HGx 1.0 . 4.57 639 443 A 26 ALA H A 25 GLU HGy 1.0 . 4.57 640 444 A 28 ASN H A 25 GLU HGx 1.0 . 5.34 641 444 A 28 ASN H A 25 GLU HGy 1.0 . 5.34 642 445 A 29 ARG H A 25 GLU HGx 1.0 . 5.34 643 445 A 29 ARG H A 25 GLU HGy 1.0 . 5.34 644 446 A 27 LYS H A 27 LYS HBx 1.0 . 3.07 645 446 A 27 LYS H A 27 LYS HBy 1.0 . 3.07 646 447 A 28 ASN H A 27 LYS HBx 1.0 . 3.73 647 447 A 28 ASN H A 27 LYS HBy 1.0 . 3.73 648 448 A 28 ASN HA A 27 LYS HBx 1.0 . 4.99 649 448 A 28 ASN HA A 27 LYS HBy 1.0 . 4.99 650 449 A 28 ASN HD2x A 27 LYS HBx 1.0 . 5.14 651 449 A 28 ASN HD2x A 27 LYS HBy 1.0 . 5.14 652 450 A 29 ARG H A 29 ARG HBx 1.0 . 3.13 653 450 A 29 ARG H A 29 ARG HBy 1.0 . 3.13 654 451 A 29 ARG HBx A 29 ARG HDx 1.0 . 3.57 655 451 A 29 ARG HBy A 29 ARG HDx 1.0 . 3.57 656 451 A 29 ARG HDy A 29 ARG HBx 1.0 . 3.57 657 451 A 29 ARG HDy A 29 ARG HBy 1.0 . 3.57 658 452 A 30 ALA H A 29 ARG HBx 1.0 . 3.73 659 452 A 30 ALA H A 29 ARG HBy 1.0 . 3.73 660 453 A 31 GLU H A 29 ARG HBx 1.0 . 5.34 661 453 A 31 GLU H A 29 ARG HBy 1.0 . 5.34 662 454 A 32 GLN H A 32 GLN HGx 1.0 . 4.23 663 454 A 32 GLN H A 32 GLN HGy 1.0 . 4.23 664 455 A 33 ILE H A 32 GLN HGx 1.0 . 5.00 665 455 A 33 ILE H A 32 GLN HGy 1.0 . 5.00 666 456 A 33 ILE H A 33 ILE HG1x 1.0 . 3.50 667 456 A 33 ILE H A 33 ILE HG1y 1.0 . 3.50 668 457 A 34 LYS H A 34 LYS HBy 1.0 . 3.45 669 457 A 34 LYS H A 34 LYS HBx 1.0 . 3.45 670 458 A 35 ALA H A 34 LYS HBy 1.0 . 3.40 671 458 A 35 ALA H A 34 LYS HBx 1.0 . 3.40 672 459 A 36 GLU H A 34 LYS HBy 1.0 . 5.00 673 459 A 36 GLU H A 34 LYS HBx 1.0 . 5.00 674 460 A 37 ALA H A 34 LYS HBy 1.0 . 4.83 675 460 A 37 ALA H A 34 LYS HBx 1.0 . 4.83 676 461 A 36 GLU H A 36 GLU HGx 1.0 . 3.50 677 461 A 36 GLU H A 36 GLU HGy 1.0 . 3.50 678 462 A 37 ALA H A 36 GLU HGx 1.0 . 4.30 679 462 A 37 ALA H A 36 GLU HGy 1.0 . 4.30 680 463 A 43 LYS H A 43 LYS HBy 1.0 . 3.63 681 463 A 43 LYS H A 43 LYS HBx 1.0 . 3.63 682 464 A 44 LEU H A 44 LEU HBx 1.0 . 3.60 683 464 A 44 LEU H A 44 LEU HBy 1.0 . 3.60 684 465 A 44 LEU H A 44 LEU HDx% 1.0 . 4.89 685 465 A 44 LEU H A 44 LEU HDy% 1.0 . 4.89 686 466 A 44 LEU HA A 44 LEU HDx% 1.0 . 3.91 687 466 A 44 LEU HA A 44 LEU HDy% 1.0 . 3.91 688 467 A 45 ILE H A 44 LEU HBx 1.0 . 4.26 689 467 A 45 ILE H A 44 LEU HBy 1.0 . 4.26 690 468 A 45 ILE H A 44 LEU HDx% 1.0 . 4.60 691 468 A 45 ILE H A 44 LEU HDy% 1.0 . 4.60 692 469 A 45 ILE H A 45 ILE HG1x 1.0 . 4.53 693 469 A 45 ILE H A 45 ILE HG1y 1.0 . 4.53 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 7 GLU C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -94.5 -43.5 PHI 2 2 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 ILE N 1.0 -55.9 -16.6 PSI 3 3 A 8 ALA C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -91.9 -44.1 PHI 4 4 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 LYS N 1.0 -84.9 13.5 PSI 5 5 A 13 LYS C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -95.5 -42.2 PHI 6 6 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 ALA N 1.0 -78.0 16.3 PSI 7 7 A 15 ALA C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -79.5 -54.4 PHI 8 8 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 GLU N 1.0 -63.2 -15.4 PSI 9 9 A 16 GLU C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -75.8 -54.7 PHI 10 10 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 GLN N 1.0 -52.7 -26.5 PSI 11 11 A 17 GLU C A 18 GLN N A 18 GLN CA A 18 GLN C 1.0 -97.2 -32.3 PHI 12 12 A 18 GLN N A 18 GLN CA A 18 GLN C A 19 ALA N 1.0 -73.3 -4.5 PSI 13 13 A 18 GLN C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -77.6 -57.6 PHI 14 14 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 VAL N 1.0 -53.4 -18.8 PSI 15 15 A 19 ALA C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -93.8 -41.3 PHI 16 16 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 LYS N 1.0 -55.2 -34.5 PSI 17 17 A 20 VAL C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -77.2 -55.8 PHI 18 18 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 GLU N 1.0 -50.4 -28.0 PSI 19 19 A 21 LYS C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -80.7 -52.0 PHI 20 20 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 ILE N 1.0 -57.6 -20.8 PSI 21 21 A 22 GLU C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -85.6 -47.0 PHI 22 22 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 GLU N 1.0 -52.6 -32.6 PSI 23 23 A 23 ILE C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -80.7 -54.2 PHI 24 24 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 GLU N 1.0 -61.7 -14.3 PSI 25 25 A 24 GLU C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -79.2 -50.6 PHI 26 26 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 ALA N 1.0 -54.3 -28.0 PSI 27 27 A 25 GLU C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -88.8 -51.7 PHI 28 28 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 LYS N 1.0 -50.2 -25.4 PSI 29 29 A 26 ALA C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -78.2 -52.2 PHI 30 30 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 ASN N 1.0 -56.2 -20.8 PSI 31 31 A 27 LYS C A 28 ASN N A 28 ASN CA A 28 ASN C 1.0 -81.5 -53.7 PHI 32 32 A 28 ASN N A 28 ASN CA A 28 ASN C A 29 ARG N 1.0 -60.2 -13.4 PSI 33 33 A 28 ASN C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -76.9 -53.7 PHI 34 34 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 ALA N 1.0 -58.6 -18.5 PSI 35 35 A 29 ARG C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -75.0 -46.0 PHI 36 36 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 GLU N 1.0 -56.6 -27.7 PSI 37 37 A 30 ALA C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -77.5 -54.1 PHI 38 38 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 GLN N 1.0 -55.2 -23.7 PSI 39 39 A 31 GLU C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -83.3 -49.0 PHI 40 40 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 ILE N 1.0 -55.3 -23.4 PSI 41 41 A 32 GLN C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -90.5 -49.1 PHI 42 42 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 LYS N 1.0 -50.2 -30.2 PSI 43 43 A 33 ILE C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -80.2 -55.8 PHI 44 44 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 ALA N 1.0 -61.2 -25.0 PSI 45 45 A 34 LYS C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -74.5 -54.5 PHI 46 46 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 GLU N 1.0 -50.1 -30.1 PSI 47 47 A 35 ALA C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -81.0 -48.3 PHI 48 48 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 ALA N 1.0 -61.3 -28.2 PSI 49 49 A 38 ILE C A 39 GLU N A 39 GLU CA A 39 GLU C 1.0 -84.9 -47.5 PHI 50 50 A 39 GLU N A 39 GLU CA A 39 GLU C A 40 GLU N 1.0 -62.6 -10.2 PSI 51 51 A 39 GLU C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -75.9 -54.7 PHI 52 52 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 ALA N 1.0 -53.9 -28.8 PSI 53 53 A 40 GLU C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -77.2 -44.7 PHI 54 54 A 41 ALA N A 41 ALA CA A 41 ALA C A 42 LYS N 1.0 -63.9 -11.5 PSI 55 55 A 41 ALA C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -105.8 -41.4 PHI 56 56 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 LYS N 1.0 -66.1 5.8 PSI 57 57 A 42 LYS C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -98.3 -45.0 PHI 58 58 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 LEU N 1.0 -59.0 -9.5 PSI stop_ save_