data_nef_c16590_2kq6 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ASN start . . 2 A 2 THR middle . . 3 A 3 VAL middle . . 4 A 4 ASP middle . . 5 A 5 ASP middle . . 6 A 6 ILE middle . . 7 A 7 SER middle . . 8 A 8 GLU middle . . 9 A 9 SER middle . . 10 A 10 LEU middle . . 11 A 11 ARG middle . . 12 A 12 GLN middle . . 13 A 13 GLY middle . false 14 A 14 GLY middle . false 15 A 15 GLY middle . false 16 A 16 LYS middle . . 17 A 17 LEU middle . . 18 A 18 ASN middle . . 19 A 19 PHE middle . . 20 A 20 ASP middle . . 21 A 21 GLU middle . . 22 A 22 LEU middle . . 23 A 23 ARG middle . . 24 A 24 GLN middle . . 25 A 25 ASP middle . . 26 A 26 LEU middle . . 27 A 27 LYS middle . . 28 A 28 GLY middle . false 29 A 29 LYS middle . . 30 A 30 GLY middle . false 31 A 31 HIS middle . . 32 A 32 THR middle . . 33 A 33 ASP middle . . 34 A 34 ALA middle . . 35 A 35 GLU middle . . 36 A 36 ILE middle . . 37 A 37 GLU middle . . 38 A 38 ALA middle . . 39 A 39 ILE middle . . 40 A 40 PHE middle . . 41 A 41 THR middle . . 42 A 42 LYS middle . . 43 A 43 TYR middle . . 44 A 44 ASP middle . . 45 A 45 GLN middle . . 46 A 46 ASP middle . . 47 A 47 GLY middle . false 48 A 48 ASP middle . . 49 A 49 GLN middle . . 50 A 50 GLU middle . . 51 A 51 LEU middle . . 52 A 52 THR middle . . 53 A 53 GLU middle . . 54 A 54 HIS middle . . 55 A 55 GLU middle . . 56 A 56 HIS middle . . 57 A 57 GLN middle . . 58 A 58 GLN middle . . 59 A 59 MET middle . . 60 A 60 ARG middle . . 61 A 61 ASP middle . . 62 A 62 ASP middle . . 63 A 63 LEU middle . . 64 A 64 GLU middle . . 65 A 65 LYS middle . . 66 A 66 GLU middle . . 67 A 67 ARG middle . . 68 A 68 GLU middle . . 69 A 69 ASP middle . . 70 A 70 LEU middle . . 71 A 71 ASP middle . . 72 A 72 LEU middle . . 73 A 73 ASP middle . . 74 A 74 HIS middle . . 75 A 75 SER middle . . 76 A 76 SER middle . . 77 A 77 LEU middle . . 78 A 78 PRO end . false stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ASN HA H 1 4.877 0.001 A 1 ASN HBy H 1 2.898 0.000 A 1 ASN HBx H 1 2.824 0.000 A 1 ASN CA C 13 53.159 0.002 A 1 ASN CB C 13 39.030 0.000 A 2 THR HA H 1 4.431 0.000 A 2 THR HB H 1 4.262 0.000 A 2 THR HG2% H 1 1.243 0.000 A 2 THR CA C 13 62.220 0.000 A 2 THR CB C 13 70.020 0.000 A 3 VAL H H 1 8.012 0.000 A 3 VAL HA H 1 4.151 0.000 A 3 VAL HB H 1 2.159 0.000 A 3 VAL HGy% H 1 0.941 0.004 A 3 VAL CA C 13 62.430 0.000 A 3 VAL CB C 13 32.720 0.000 A 3 VAL CGy C 13 21.180 0.000 A 3 VAL N N 15 121.018 0.015 A 4 ASP H H 1 8.189 0.002 A 4 ASP HA H 1 4.567 0.012 A 4 ASP N N 15 122.636 0.022 A 5 ASP H H 1 8.217 0.001 A 5 ASP HBy H 1 2.728 0.006 A 5 ASP HBx H 1 2.613 0.001 A 5 ASP N N 15 120.910 0.021 A 6 ILE H H 1 8.184 0.001 A 6 ILE HA H 1 3.856 0.003 A 6 ILE HB H 1 1.853 0.000 A 6 ILE HD1% H 1 0.671 0.000 A 6 ILE HG1x H 1 1.702 0.000 A 6 ILE HG2% H 1 0.936 0.000 A 6 ILE CA C 13 61.660 0.000 A 6 ILE N N 15 120.869 0.054 A 7 SER H H 1 8.376 0.002 A 7 SER HA H 1 4.390 0.000 A 7 SER HBx H 1 3.897 0.002 A 7 SER HBy H 1 3.897 0.002 A 7 SER N N 15 119.433 0.013 A 8 GLU H H 1 8.132 0.001 A 8 GLU N N 15 121.682 0.011 A 9 SER H H 1 8.206 0.001 A 9 SER HA H 1 4.438 0.001 A 9 SER HBx H 1 3.891 0.000 A 9 SER HBy H 1 3.891 0.000 A 9 SER N N 15 115.936 0.005 A 10 LEU H H 1 7.877 0.002 A 10 LEU HA H 1 4.048 0.000 A 10 LEU HBx H 1 1.809 0.000 A 10 LEU HBy H 1 1.809 0.000 A 10 LEU HDx% H 1 0.779 0.000 A 10 LEU HDy% H 1 0.779 0.000 A 10 LEU N N 15 119.146 0.017 A 11 ARG HA H 1 4.272 0.000 A 13 GLY H H 1 8.241 0.003 A 13 GLY HAx H 1 4.025 0.004 A 13 GLY HAy H 1 4.025 0.004 A 13 GLY CA C 13 45.820 0.000 A 13 GLY N N 15 108.975 0.055 A 14 GLY H H 1 8.560 0.006 A 14 GLY HAy H 1 4.154 0.002 A 14 GLY HAx H 1 3.722 0.004 A 14 GLY CA C 13 45.390 0.000 A 14 GLY N N 15 107.936 0.016 A 15 GLY H H 1 8.439 0.002 A 15 GLY HAx H 1 3.963 0.008 A 15 GLY HAy H 1 3.963 0.008 A 15 GLY CA C 13 45.320 0.000 A 15 GLY N N 15 109.149 0.009 A 16 LYS H H 1 8.074 0.002 A 16 LYS HA H 1 4.578 0.000 A 16 LYS HBx H 1 1.688 0.004 A 16 LYS HBy H 1 1.688 0.004 A 16 LYS HEx H 1 2.958 0.000 A 16 LYS HEy H 1 2.958 0.000 A 16 LYS HGx H 1 1.313 0.001 A 16 LYS HGy H 1 1.313 0.001 A 16 LYS CA C 13 55.830 0.000 A 16 LYS CB C 13 34.140 0.000 A 16 LYS N N 15 120.125 0.029 A 17 LEU H H 1 8.501 0.002 A 17 LEU HA H 1 4.664 0.000 A 17 LEU HBx H 1 1.465 0.003 A 17 LEU HBy H 1 1.465 0.003 A 17 LEU HDx% H 1 0.602 0.001 A 17 LEU HDy% H 1 0.602 0.001 A 17 LEU HG H 1 1.477 0.000 A 17 LEU CA C 13 54.460 0.000 A 17 LEU CB C 13 44.280 0.000 A 17 LEU CDx C 13 24.930 0.000 A 17 LEU CG C 13 27.100 0.000 A 17 LEU N N 15 123.164 0.017 A 18 ASN H H 1 8.686 0.004 A 18 ASN HA H 1 5.025 0.006 A 18 ASN HBy H 1 3.213 0.002 A 18 ASN HBx H 1 2.970 0.002 A 18 ASN HD2y H 1 7.537 0.002 A 18 ASN HD2x H 1 6.950 0.003 A 18 ASN CA C 13 51.698 0.002 A 18 ASN CB C 13 39.341 0.004 A 18 ASN N N 15 121.058 0.017 A 18 ASN ND2 N 15 111.885 0.027 A 19 PHE H H 1 8.659 0.002 A 19 PHE HA H 1 3.789 0.005 A 19 PHE HBy H 1 2.779 0.004 A 19 PHE HBx H 1 2.571 0.004 A 19 PHE HEx H 1 6.643 0.007 A 19 PHE HEy H 1 6.643 0.007 A 19 PHE CA C 13 61.089 0.003 A 19 PHE CB C 13 38.648 0.002 A 19 PHE CEx C 13 139.048 0.172 A 19 PHE N N 15 120.349 0.014 A 20 ASP H H 1 8.227 0.001 A 20 ASP HA H 1 4.212 0.003 A 20 ASP HBy H 1 2.698 0.005 A 20 ASP HBx H 1 2.642 0.003 A 20 ASP CA C 13 57.810 0.000 A 20 ASP CB C 13 40.560 0.000 A 20 ASP N N 15 118.655 0.015 A 21 GLU H H 1 8.148 0.003 A 21 GLU HA H 1 4.019 0.001 A 21 GLU HBy H 1 2.168 0.002 A 21 GLU HBx H 1 2.014 0.002 A 21 GLU HGy H 1 2.445 0.003 A 21 GLU HGx H 1 2.248 0.000 A 21 GLU CA C 13 59.130 0.000 A 21 GLU CB C 13 30.130 0.000 A 21 GLU CG C 13 36.530 0.000 A 21 GLU N N 15 119.950 0.018 A 22 LEU H H 1 8.083 0.002 A 22 LEU HA H 1 4.141 0.002 A 22 LEU HBy H 1 1.740 0.004 A 22 LEU HBx H 1 1.626 0.000 A 22 LEU HDx% H 1 0.913 0.002 A 22 LEU HG H 1 1.615 0.002 A 22 LEU CA C 13 57.730 0.000 A 22 LEU CB C 13 41.740 0.000 A 22 LEU CDx C 13 24.500 0.000 A 22 LEU N N 15 121.804 0.029 A 23 ARG H H 1 8.711 0.003 A 23 ARG HA H 1 3.754 0.003 A 23 ARG HBy H 1 1.777 0.006 A 23 ARG HBx H 1 1.499 0.008 A 23 ARG HDx H 1 3.156 0.001 A 23 ARG HDy H 1 3.156 0.001 A 23 ARG HE H 1 6.997 0.000 A 23 ARG HGy H 1 1.541 0.000 A 23 ARG HGx H 1 1.452 0.007 A 23 ARG CA C 13 60.250 0.000 A 23 ARG CB C 13 29.619 0.002 A 23 ARG CD C 13 43.530 0.000 A 23 ARG CG C 13 27.570 0.000 A 23 ARG N N 15 119.359 0.004 A 24 GLN H H 1 7.683 0.001 A 24 GLN HA H 1 3.982 0.003 A 24 GLN HBx H 1 2.163 0.002 A 24 GLN HBy H 1 2.163 0.002 A 24 GLN HE2y H 1 7.359 0.001 A 24 GLN HE2x H 1 6.898 0.002 A 24 GLN HGx H 1 2.488 0.003 A 24 GLN CA C 13 58.900 0.000 A 24 GLN CB C 13 28.456 0.000 A 24 GLN CG C 13 33.741 0.002 A 24 GLN N N 15 116.475 0.012 A 24 GLN NE2 N 15 113.251 0.028 A 25 ASP H H 1 7.669 0.003 A 25 ASP HA H 1 4.445 0.001 A 25 ASP HBx H 1 2.806 0.005 A 25 ASP HBy H 1 2.806 0.005 A 25 ASP CA C 13 57.070 0.000 A 25 ASP CB C 13 42.010 0.000 A 25 ASP N N 15 120.032 0.016 A 26 LEU H H 1 8.486 0.002 A 26 LEU HA H 1 4.187 0.003 A 26 LEU HBy H 1 1.776 0.005 A 26 LEU HBx H 1 1.275 0.002 A 26 LEU HDx% H 1 0.712 0.000 A 26 LEU HDy% H 1 0.712 0.000 A 26 LEU HG H 1 1.881 0.000 A 26 LEU CA C 13 57.457 0.000 A 26 LEU CB C 13 41.755 0.016 A 26 LEU CDy C 13 26.390 0.000 A 26 LEU CDx C 13 22.284 0.012 A 26 LEU CG C 13 27.130 0.000 A 26 LEU N N 15 117.121 0.011 A 27 LYS H H 1 8.743 0.001 A 27 LYS HA H 1 4.368 0.003 A 27 LYS HBx H 1 1.895 0.005 A 27 LYS HBy H 1 1.895 0.005 A 27 LYS HDx H 1 1.587 0.005 A 27 LYS HDy H 1 1.587 0.005 A 27 LYS HEx H 1 2.997 0.002 A 27 LYS HEy H 1 2.997 0.002 A 27 LYS HGx H 1 1.479 0.003 A 27 LYS HGy H 1 1.479 0.003 A 27 LYS CA C 13 59.300 0.000 A 27 LYS CB C 13 31.441 0.005 A 27 LYS CD C 13 28.520 0.000 A 27 LYS CE C 13 41.480 0.000 A 27 LYS CG C 13 24.640 0.000 A 27 LYS N N 15 122.649 0.010 A 28 GLY H H 1 8.022 0.003 A 28 GLY HAx H 1 4.065 0.003 A 28 GLY HAy H 1 4.065 0.003 A 28 GLY CA C 13 46.380 0.000 A 28 GLY N N 15 108.371 0.013 A 29 LYS H H 1 7.449 0.002 A 29 LYS HA H 1 4.428 0.003 A 29 LYS HBx H 1 2.276 0.003 A 29 LYS HBy H 1 2.276 0.003 A 29 LYS HDx H 1 1.863 0.003 A 29 LYS HDy H 1 1.863 0.003 A 29 LYS HEx H 1 3.003 0.001 A 29 LYS HEy H 1 3.003 0.001 A 29 LYS HGy H 1 1.609 0.001 A 29 LYS HGx H 1 1.500 0.002 A 29 LYS CA C 13 55.930 0.000 A 29 LYS CB C 13 33.430 0.000 A 29 LYS CE C 13 42.300 0.000 A 29 LYS CG C 13 25.670 0.000 A 29 LYS N N 15 118.743 0.028 A 30 GLY H H 1 7.846 0.002 A 30 GLY HAy H 1 4.164 0.001 A 30 GLY HAx H 1 3.705 0.001 A 30 GLY CA C 13 45.560 0.000 A 30 GLY N N 15 106.426 0.011 A 31 HIS H H 1 7.561 0.002 A 31 HIS HA H 1 4.810 0.013 A 31 HIS HBy H 1 3.063 0.002 A 31 HIS HBx H 1 2.647 0.003 A 31 HIS HD2 H 1 7.076 0.001 A 31 HIS HE1 H 1 7.033 0.003 A 31 HIS CA C 13 55.990 0.000 A 31 HIS CB C 13 30.240 0.000 A 31 HIS CD2 C 13 131.980 0.131 A 31 HIS N N 15 119.059 0.022 A 32 THR H H 1 8.824 0.002 A 32 THR HA H 1 4.479 0.003 A 32 THR HB H 1 4.754 0.000 A 32 THR HG2% H 1 1.386 0.001 A 32 THR CA C 13 60.720 0.000 A 32 THR CB C 13 71.150 0.000 A 32 THR CG2 C 13 21.960 0.000 A 32 THR N N 15 113.697 0.009 A 33 ASP H H 1 8.887 0.001 A 33 ASP HA H 1 4.384 0.006 A 33 ASP HBy H 1 2.759 0.002 A 33 ASP HBx H 1 2.651 0.001 A 33 ASP CA C 13 58.353 0.000 A 33 ASP CB C 13 40.190 0.000 A 33 ASP N N 15 120.915 0.004 A 34 ALA H H 1 8.469 0.004 A 34 ALA HA H 1 4.199 0.001 A 34 ALA HB% H 1 1.441 0.002 A 34 ALA CA C 13 55.310 0.000 A 34 ALA CB C 13 18.210 0.000 A 34 ALA N N 15 121.261 0.015 A 35 GLU H H 1 7.800 0.002 A 35 GLU HA H 1 4.056 0.002 A 35 GLU HBx H 1 2.054 0.005 A 35 GLU HBy H 1 2.054 0.005 A 35 GLU HGy H 1 2.501 0.013 A 35 GLU HGx H 1 2.398 0.003 A 35 GLU CA C 13 59.080 0.000 A 35 GLU CB C 13 30.110 0.000 A 35 GLU N N 15 119.865 0.014 A 36 ILE H H 1 8.383 0.001 A 36 ILE HA H 1 3.402 0.005 A 36 ILE HB H 1 1.953 0.004 A 36 ILE HD1% H 1 0.784 0.000 A 36 ILE HG1y H 1 1.874 0.000 A 36 ILE HG1x H 1 0.725 0.000 A 36 ILE HG2% H 1 0.638 0.006 A 36 ILE CA C 13 65.840 0.000 A 36 ILE CB C 13 38.018 0.003 A 36 ILE CD1 C 13 14.831 0.001 A 36 ILE CG1 C 13 29.631 0.002 A 36 ILE CG2 C 13 17.500 0.000 A 36 ILE N N 15 120.572 0.017 A 37 GLU H H 1 8.209 0.003 A 37 GLU HA H 1 4.051 0.000 A 37 GLU HBx H 1 2.124 0.002 A 37 GLU HBy H 1 2.124 0.002 A 37 GLU HGy H 1 2.392 0.005 A 37 GLU HGx H 1 2.255 0.004 A 37 GLU CA C 13 59.920 0.000 A 37 GLU CB C 13 29.460 0.000 A 37 GLU CG C 13 36.310 0.000 A 37 GLU N N 15 119.147 0.012 A 38 ALA H H 1 7.630 0.001 A 38 ALA HA H 1 4.184 0.004 A 38 ALA HB% H 1 1.541 0.001 A 38 ALA CA C 13 55.180 0.000 A 38 ALA CB C 13 18.050 0.000 A 38 ALA N N 15 121.299 0.022 A 39 ILE H H 1 8.260 0.003 A 39 ILE HA H 1 3.804 0.003 A 39 ILE HB H 1 1.920 0.006 A 39 ILE HD1% H 1 0.617 0.002 A 39 ILE HG1x H 1 1.129 0.004 A 39 ILE HG1y H 1 1.852 0.000 A 39 ILE HG2% H 1 1.009 0.002 A 39 ILE CA C 13 65.358 0.003 A 39 ILE CB C 13 38.479 0.001 A 39 ILE CD1 C 13 13.650 0.000 A 39 ILE CG1 C 13 30.140 0.000 A 39 ILE CG2 C 13 17.980 0.000 A 39 ILE N N 15 121.421 0.099 A 40 PHE H H 1 8.608 0.002 A 40 PHE HA H 1 4.056 0.001 A 40 PHE HBy H 1 3.243 0.008 A 40 PHE HBx H 1 3.179 0.006 A 40 PHE HDx H 1 6.986 0.002 A 40 PHE HEx H 1 7.048 0.003 A 40 PHE HEy H 1 7.048 0.003 A 40 PHE CA C 13 61.601 0.000 A 40 PHE CB C 13 38.890 0.000 A 40 PHE CDx C 13 136.728 0.000 A 40 PHE CEx C 13 138.885 0.015 A 40 PHE N N 15 120.367 0.010 A 41 THR H H 1 8.085 0.001 A 41 THR HA H 1 3.992 0.002 A 41 THR HB H 1 4.239 0.001 A 41 THR HG2% H 1 1.321 0.003 A 41 THR CA C 13 65.950 0.000 A 41 THR CB C 13 69.310 0.000 A 41 THR CG2 C 13 21.800 0.000 A 41 THR N N 15 111.236 0.021 A 42 LYS H H 1 7.652 0.002 A 42 LYS HA H 1 3.859 0.002 A 42 LYS HBx H 1 1.696 0.004 A 42 LYS HBy H 1 1.696 0.004 A 42 LYS HDx H 1 1.450 0.002 A 42 LYS HDy H 1 1.450 0.002 A 42 LYS HEx H 1 2.783 0.001 A 42 LYS HEy H 1 2.783 0.001 A 42 LYS HGy H 1 1.020 0.002 A 42 LYS HGx H 1 0.357 0.004 A 42 LYS CA C 13 58.880 0.000 A 42 LYS CB C 13 32.810 0.000 A 42 LYS CD C 13 29.460 0.000 A 42 LYS CE C 13 42.206 0.014 A 42 LYS CG C 13 24.600 0.000 A 42 LYS N N 15 121.073 0.028 A 43 TYR H H 1 7.534 0.003 A 43 TYR HA H 1 4.380 0.005 A 43 TYR HBy H 1 3.210 0.001 A 43 TYR HBx H 1 2.467 0.003 A 43 TYR HDx H 1 7.430 0.004 A 43 TYR HEx H 1 6.730 0.003 A 43 TYR HEy H 1 6.730 0.003 A 43 TYR CA C 13 60.370 0.000 A 43 TYR CB C 13 38.510 0.000 A 43 TYR CDx C 13 141.572 0.034 A 43 TYR CEx C 13 125.489 0.016 A 43 TYR N N 15 113.687 0.020 A 44 ASP H H 1 7.793 0.002 A 44 ASP HA H 1 4.838 0.001 A 44 ASP HBy H 1 2.738 0.005 A 44 ASP HBx H 1 2.023 0.003 A 44 ASP CA C 13 53.140 0.000 A 44 ASP CB C 13 39.230 0.000 A 44 ASP N N 15 120.907 0.011 A 45 GLN H H 1 8.120 0.002 A 45 GLN HA H 1 4.023 0.001 A 45 GLN HBy H 1 2.212 0.001 A 45 GLN HBx H 1 2.123 0.001 A 45 GLN HE2y H 1 7.674 0.001 A 45 GLN HE2x H 1 6.911 0.002 A 45 GLN HGy H 1 2.528 0.003 A 45 GLN HGx H 1 2.450 0.002 A 45 GLN CA C 13 58.900 0.000 A 45 GLN CB C 13 28.760 0.000 A 45 GLN CG C 13 34.240 0.000 A 45 GLN N N 15 124.212 0.019 A 45 GLN NE2 N 15 112.251 0.020 A 46 ASP H H 1 8.192 0.002 A 46 ASP HA H 1 4.625 0.001 A 46 ASP HBy H 1 3.015 0.001 A 46 ASP HBx H 1 2.650 0.003 A 46 ASP CA C 13 52.760 0.000 A 46 ASP CB C 13 39.580 0.000 A 46 ASP N N 15 114.730 0.018 A 47 GLY H H 1 7.568 0.004 A 47 GLY HAx H 1 3.889 0.005 A 47 GLY HAy H 1 3.889 0.005 A 47 GLY CA C 13 47.340 0.000 A 47 GLY N N 15 108.379 0.007 A 48 ASP H H 1 8.098 0.002 A 48 ASP HA H 1 4.584 0.000 A 48 ASP HBy H 1 3.041 0.002 A 48 ASP HBx H 1 2.434 0.001 A 48 ASP CA C 13 53.310 0.000 A 48 ASP CB C 13 40.280 0.000 A 48 ASP N N 15 119.996 0.020 A 49 GLN H H 1 7.990 0.002 A 49 GLN HA H 1 4.819 0.002 A 49 GLN HBy H 1 1.851 0.002 A 49 GLN HBx H 1 1.791 0.006 A 49 GLN HE2y H 1 7.494 0.001 A 49 GLN HE2x H 1 6.671 0.001 A 49 GLN HGy H 1 2.155 0.000 A 49 GLN HGx H 1 2.050 0.002 A 49 GLN CA C 13 54.990 0.000 A 49 GLN N N 15 117.246 0.022 A 49 GLN NE2 N 15 112.700 0.017 A 50 GLU H H 1 9.058 0.002 A 50 GLU HA H 1 4.058 0.004 A 50 GLU HBy H 1 2.085 0.001 A 50 GLU HBx H 1 2.032 0.000 A 50 GLU HGx H 1 2.279 0.000 A 50 GLU HGy H 1 2.279 0.000 A 50 GLU N N 15 120.726 0.009 A 51 LEU H H 1 9.324 0.002 A 51 LEU HA H 1 5.474 0.004 A 51 LEU HBy H 1 1.733 0.004 A 51 LEU HBx H 1 1.454 0.000 A 51 LEU HDx% H 1 0.736 0.005 A 51 LEU HDy% H 1 0.586 0.003 A 51 LEU CA C 13 53.209 0.001 A 51 LEU CB C 13 42.561 0.003 A 51 LEU CDy C 13 23.630 0.000 A 51 LEU N N 15 125.773 0.039 A 52 THR H H 1 9.177 0.004 A 52 THR HA H 1 4.495 0.003 A 52 THR HB H 1 4.730 0.000 A 52 THR HG1 H 1 5.485 0.003 A 52 THR HG2% H 1 1.421 0.003 A 52 THR CA C 13 60.689 0.001 A 52 THR N N 15 115.402 0.010 A 53 GLU H H 1 7.719 0.002 A 53 GLU HA H 1 4.187 0.001 A 53 GLU HBx H 1 2.292 0.007 A 53 GLU HBy H 1 2.292 0.007 A 53 GLU HGy H 1 2.494 0.006 A 53 GLU HGx H 1 2.403 0.004 A 53 GLU N N 15 120.761 0.032 A 54 HIS H H 1 8.834 0.002 A 54 HIS HA H 1 4.151 0.004 A 54 HIS HBy H 1 3.204 0.003 A 54 HIS HBx H 1 3.001 0.003 A 54 HIS HE1 H 1 6.754 0.000 A 54 HIS CA C 13 58.530 0.000 A 54 HIS CB C 13 33.580 0.000 A 54 HIS N N 15 117.809 0.006 A 55 GLU H H 1 7.650 0.002 A 55 GLU HA H 1 3.981 0.001 A 55 GLU HBx H 1 2.228 0.002 A 55 GLU HBy H 1 2.228 0.002 A 55 GLU HGy H 1 2.428 0.025 A 55 GLU HGx H 1 2.206 0.000 A 55 GLU N N 15 118.308 0.022 A 56 HIS H H 1 8.750 0.001 A 56 HIS HBy H 1 3.162 0.000 A 56 HIS HBx H 1 2.908 0.000 A 56 HIS N N 15 118.890 0.024 A 57 GLN H H 1 8.279 0.001 A 57 GLN HA H 1 3.740 0.003 A 57 GLN HBx H 1 2.139 0.005 A 57 GLN HBy H 1 2.139 0.005 A 57 GLN HE2y H 1 7.725 0.003 A 57 GLN HE2x H 1 6.788 0.002 A 57 GLN HGy H 1 2.390 0.007 A 57 GLN HGx H 1 2.237 0.001 A 57 GLN CA C 13 58.594 0.000 A 57 GLN N N 15 119.262 0.021 A 57 GLN NE2 N 15 114.417 0.017 A 58 GLN H H 1 8.224 0.001 A 58 GLN HA H 1 3.705 0.000 A 58 GLN N N 15 119.338 0.012 A 59 MET H H 1 7.469 0.002 A 59 MET HA H 1 4.135 0.001 A 59 MET HBx H 1 2.233 0.001 A 59 MET HBy H 1 2.233 0.001 A 59 MET HE% H 1 1.258 0.004 A 59 MET HGx H 1 2.005 0.002 A 59 MET HGy H 1 2.005 0.002 A 59 MET N N 15 119.446 0.013 A 60 ARG H H 1 8.195 0.001 A 60 ARG HA H 1 3.729 0.003 A 60 ARG HBx H 1 1.737 0.002 A 60 ARG HBy H 1 1.737 0.002 A 60 ARG HDx H 1 2.981 0.003 A 60 ARG HDy H 1 2.981 0.003 A 60 ARG HE H 1 7.465 0.000 A 60 ARG HGx H 1 1.546 0.001 A 60 ARG CA C 13 59.512 0.000 A 60 ARG CD C 13 43.280 0.000 A 60 ARG N N 15 118.053 0.011 A 61 ASP H H 1 8.309 0.001 A 61 ASP HA H 1 4.346 0.005 A 61 ASP HBy H 1 2.758 0.004 A 61 ASP HBx H 1 2.653 0.003 A 61 ASP CA C 13 56.980 0.000 A 61 ASP N N 15 119.754 0.021 A 62 ASP H H 1 7.990 0.002 A 62 ASP HA H 1 4.492 0.006 A 62 ASP HBy H 1 2.937 0.003 A 62 ASP HBx H 1 2.703 0.004 A 62 ASP CA C 13 56.550 0.000 A 62 ASP CB C 13 40.230 0.000 A 62 ASP N N 15 120.242 0.020 A 63 LEU H H 1 8.281 0.002 A 63 LEU HA H 1 4.179 0.004 A 63 LEU HBy H 1 1.793 0.003 A 63 LEU HBx H 1 1.537 0.000 A 63 LEU HDx% H 1 0.796 0.000 A 63 LEU HDy% H 1 0.798 0.006 A 63 LEU HG H 1 1.538 0.002 A 63 LEU CA C 13 57.280 0.000 A 63 LEU CB C 13 41.870 0.000 A 63 LEU CDy C 13 25.380 0.000 A 63 LEU CDx C 13 23.630 0.000 A 63 LEU N N 15 119.970 0.031 A 64 GLU H H 1 7.985 0.001 A 64 GLU HA H 1 4.215 0.005 A 64 GLU HBx H 1 2.111 0.002 A 64 GLU HBy H 1 2.111 0.002 A 64 GLU HGy H 1 2.363 0.007 A 64 GLU HGx H 1 2.308 0.000 A 64 GLU CA C 13 57.830 0.000 A 64 GLU CB C 13 29.730 0.000 A 64 GLU N N 15 119.030 0.005 A 65 LYS H H 1 7.711 0.003 A 65 LYS HA H 1 4.234 0.005 A 65 LYS HBx H 1 1.933 0.002 A 65 LYS HBy H 1 1.933 0.002 A 65 LYS HDx H 1 1.558 0.004 A 65 LYS HDy H 1 1.558 0.004 A 65 LYS HEx H 1 3.034 0.004 A 65 LYS HEy H 1 3.034 0.004 A 65 LYS CA C 13 57.680 0.000 A 65 LYS CB C 13 32.690 0.000 A 65 LYS N N 15 119.999 0.012 A 66 GLU H H 1 8.105 0.003 A 66 GLU HA H 1 4.254 0.001 A 66 GLU HBy H 1 2.138 0.003 A 66 GLU HBx H 1 2.032 0.003 A 66 GLU HGy H 1 2.418 0.000 A 66 GLU HGx H 1 2.292 0.002 A 66 GLU CA C 13 57.280 0.000 A 66 GLU CB C 13 29.920 0.000 A 66 GLU N N 15 120.011 0.021 A 67 ARG H H 1 8.027 0.004 A 67 ARG HA H 1 4.273 0.001 A 67 ARG HBy H 1 1.954 0.000 A 67 ARG HBx H 1 1.853 0.000 A 67 ARG HDx H 1 3.229 0.000 A 67 ARG HDy H 1 3.229 0.000 A 67 ARG HGy H 1 1.718 0.001 A 67 ARG HGx H 1 1.645 0.000 A 67 ARG CA C 13 56.730 0.000 A 67 ARG CB C 13 30.800 0.000 A 67 ARG CD C 13 43.280 0.000 A 67 ARG CG C 13 27.220 0.000 A 67 ARG N N 15 120.603 0.023 A 68 GLU H H 1 8.363 0.001 A 68 GLU HA H 1 4.279 0.009 A 68 GLU HBy H 1 2.066 0.002 A 68 GLU HBx H 1 1.978 0.002 A 68 GLU HGx H 1 2.291 0.004 A 68 GLU CA C 13 57.030 0.000 A 68 GLU CB C 13 30.380 0.000 A 68 GLU N N 15 121.566 0.026 A 69 ASP H H 1 8.343 0.005 A 69 ASP HA H 1 4.617 0.003 A 69 ASP HBy H 1 2.740 0.002 A 69 ASP HBx H 1 2.652 0.002 A 69 ASP CA C 13 54.490 0.000 A 69 ASP CB C 13 40.870 0.000 A 69 ASP N N 15 120.771 0.034 A 70 LEU H H 1 8.018 0.002 A 70 LEU HA H 1 4.314 0.005 A 70 LEU HBx H 1 1.665 0.005 A 70 LEU HBy H 1 1.665 0.005 A 70 LEU HDx% H 1 0.930 0.000 A 70 LEU HDy% H 1 0.871 0.007 A 70 LEU CA C 13 55.440 0.000 A 70 LEU CB C 13 42.480 0.000 A 70 LEU N N 15 122.076 0.011 A 71 ASP H H 1 8.298 0.003 A 71 ASP HA H 1 4.627 0.006 A 71 ASP HBy H 1 2.764 0.001 A 71 ASP HBx H 1 2.616 0.002 A 71 ASP CA C 13 54.220 0.000 A 71 ASP CB C 13 40.820 0.000 A 71 ASP N N 15 120.922 0.010 A 72 LEU H H 1 8.061 0.002 A 72 LEU HA H 1 4.276 0.001 A 72 LEU HBx H 1 1.611 0.005 A 72 LEU HBy H 1 1.611 0.005 A 72 LEU HDx% H 1 0.928 0.000 A 72 LEU HDy% H 1 0.869 0.009 A 72 LEU CA C 13 55.510 0.000 A 72 LEU CB C 13 42.310 0.000 A 72 LEU N N 15 122.325 0.016 A 73 ASP H H 1 8.267 0.002 A 73 ASP HA H 1 4.584 0.000 A 73 ASP HBy H 1 2.656 0.003 A 73 ASP CA C 13 54.400 0.000 A 73 ASP CB C 13 41.100 0.000 A 73 ASP N N 15 120.233 0.016 A 74 HIS H H 1 7.753 0.002 A 74 HIS HA H 1 4.441 0.002 A 74 HIS HBy H 1 3.212 0.000 A 74 HIS HBx H 1 3.080 0.001 A 74 HIS CA C 13 57.120 0.000 A 74 HIS CB C 13 30.620 0.000 A 74 HIS N N 15 123.504 0.023 A 76 SER HA H 1 4.508 0.000 A 76 SER HBx H 1 3.893 0.000 A 76 SER HBy H 1 3.893 0.000 A 76 SER CA C 13 58.360 0.000 A 76 SER CB C 13 63.990 0.000 A 77 LEU H H 1 8.070 0.002 A 77 LEU HA H 1 4.621 0.036 A 77 LEU HBx H 1 1.626 0.004 A 77 LEU HBy H 1 1.626 0.004 A 77 LEU HDx% H 1 0.942 0.000 A 77 LEU HDy% H 1 0.942 0.000 A 77 LEU CA C 13 52.980 0.000 A 77 LEU CB C 13 41.650 0.000 A 77 LEU N N 15 125.538 0.023 A 78 PRO HA H 1 4.241 0.004 A 78 PRO HBy H 1 2.231 0.003 A 78 PRO HBx H 1 1.909 0.001 A 78 PRO HDy H 1 3.798 0.004 A 78 PRO HDx H 1 3.643 0.005 A 78 PRO HGx H 1 1.997 0.003 A 78 PRO CA C 13 64.811 0.031 A 78 PRO CB C 13 32.039 0.035 A 78 PRO CD C 13 50.260 0.036 A 78 PRO CG C 13 27.265 0.025 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 10 LEU H A 39 ILE HG1x 1.0 1.8 5.50 2 1 A 10 LEU H A 39 ILE HG1y 1.0 1.8 5.50 3 2 A 30 GLY H A 29 LYS HBx 1.0 1.8 5.50 4 2 A 29 LYS HBy A 30 GLY H 1.0 1.8 5.50 5 3 A 30 GLY H A 31 HIS HE1 1.0 1.8 5.50 6 4 A 30 GLY H A 29 LYS HDx 1.0 1.8 5.13 7 4 A 30 GLY H A 29 LYS HDy 1.0 1.8 5.13 8 5 A 30 GLY H A 28 GLY HAx 1.0 1.8 5.17 9 5 A 30 GLY H A 28 GLY HAy 1.0 1.8 5.17 10 6 A 47 GLY H A 46 ASP HBy 1.0 1.8 5.50 11 6 A 46 ASP HBx A 47 GLY H 1.0 1.8 5.50 12 7 A 28 GLY H A 27 LYS HBx 1.0 1.8 4.46 13 7 A 27 LYS HBy A 28 GLY H 1.0 1.8 4.46 14 8 A 28 GLY H A 27 LYS HDx 1.0 1.8 5.50 15 8 A 28 GLY H A 27 LYS HDy 1.0 1.8 5.50 16 9 A 47 GLY H A 46 ASP HBy 1.0 1.8 5.50 17 9 A 46 ASP HBx A 47 GLY H 1.0 1.8 5.50 18 10 A 28 GLY H A 36 ILE HD1% 1.0 1.8 5.50 19 11 A 28 GLY H A 27 LYS HEx 1.0 1.8 5.50 20 11 A 28 GLY H A 27 LYS HEy 1.0 1.8 5.50 21 12 A 28 GLY H A 29 LYS HEx 1.0 1.8 5.50 22 12 A 28 GLY H A 29 LYS HEy 1.0 1.8 5.50 23 13 A 41 THR H A 44 ASP HBy 1.0 1.8 5.50 24 13 A 41 THR H A 44 ASP HBx 1.0 1.8 5.50 25 14 A 41 THR H A 37 GLU HGy 1.0 1.8 5.50 26 14 A 41 THR H A 37 GLU HGx 1.0 1.8 5.50 27 15 A 41 THR H A 44 ASP HBy 1.0 1.8 5.50 28 15 A 41 THR H A 44 ASP HBx 1.0 1.8 5.50 29 16 A 41 THR H A 39 ILE HB 1.0 1.8 5.14 30 17 A 41 THR H A 39 ILE HA 1.0 1.8 5.06 31 18 A 41 THR H A 38 ALA HB% 1.0 1.8 4.91 32 19 A 41 THR H A 37 GLU HBx 1.0 1.8 5.41 33 19 A 41 THR H A 37 GLU HBy 1.0 1.8 5.41 34 20 A 41 THR H A 39 ILE HD1% 1.0 1.8 5.50 35 21 A 41 THR H A 41 THR HB 1.0 1.8 3.27 36 22 A 41 THR H A 39 ILE H 1.0 1.8 4.53 37 23 A 41 THR H A 40 PHE HE% 1.0 1.8 4.26 38 24 A 41 THR H A 43 TYR H 1.0 1.8 5.01 39 25 A 41 THR H A 41 THR HG2% 1.0 1.8 3.51 40 26 A 41 THR H A 42 LYS HBx 1.0 1.8 4.50 41 26 A 41 THR H A 42 LYS HBy 1.0 1.8 4.50 42 27 A 41 THR H A 39 ILE HG2% 1.0 1.8 5.26 43 28 A 41 THR H A 37 GLU HGy 1.0 1.8 5.50 44 28 A 41 THR H A 37 GLU HGx 1.0 1.8 5.50 45 29 A 18 ASN HD2y A 21 GLU H 1.0 1.8 5.50 46 30 A 18 ASN HA A 18 ASN HD2x 1.0 1.8 5.50 47 31 A 18 ASN HD2y A 18 ASN HA 1.0 1.8 5.50 48 32 A 43 TYR HA A 45 GLN HE2x 1.0 1.8 5.50 49 33 A 43 TYR HA A 45 GLN HE2y 1.0 1.8 5.50 50 34 A 49 GLN HE2y A 47 GLY HAx 1.0 1.8 5.50 51 34 A 47 GLY HAy A 49 GLN HE2y 1.0 1.8 5.50 52 35 A 49 GLN HE2x A 47 GLY HAx 1.0 1.8 5.50 53 35 A 47 GLY HAy A 49 GLN HE2x 1.0 1.8 5.50 54 36 A 24 GLN HA A 24 GLN HE2y 1.0 1.8 5.50 55 37 A 24 GLN HA A 24 GLN HE2x 1.0 1.8 5.50 56 38 A 43 TYR H A 44 ASP HBy 1.0 1.8 5.50 57 38 A 44 ASP HBx A 43 TYR H 1.0 1.8 5.50 58 39 A 43 TYR H A 40 PHE H 1.0 1.8 5.50 59 40 A 43 TYR H A 42 LYS HGy 1.0 1.8 5.50 60 40 A 43 TYR H A 42 LYS HGx 1.0 1.8 5.50 61 41 A 43 TYR H A 51 LEU HDx% 1.0 1.8 5.50 62 41 A 43 TYR H A 51 LEU HDy% 1.0 1.8 5.50 63 42 A 43 TYR H A 42 LYS H 1.0 1.8 4.00 64 43 A 43 TYR H A 43 TYR HE% 1.0 1.8 5.50 65 44 A 43 TYR H A 39 ILE HG2% 1.0 1.8 5.50 66 45 A 43 TYR H A 42 LYS HGy 1.0 1.8 5.50 67 45 A 43 TYR H A 42 LYS HGx 1.0 1.8 5.50 68 46 A 43 TYR H A 44 ASP HBy 1.0 1.8 5.50 69 46 A 44 ASP HBx A 43 TYR H 1.0 1.8 5.50 70 47 A 43 TYR H A 42 LYS HBx 1.0 1.8 3.95 71 47 A 43 TYR H A 42 LYS HBy 1.0 1.8 3.95 72 48 A 43 TYR H A 51 LEU HDx% 1.0 1.8 5.50 73 48 A 43 TYR H A 51 LEU HDy% 1.0 1.8 5.50 74 49 A 43 TYR H A 40 PHE HA 1.0 1.8 5.50 75 50 A 32 THR H A 31 HIS HBy 1.0 1.8 4.39 76 50 A 31 HIS HBx A 32 THR H 1.0 1.8 4.39 77 51 A 32 THR H A 32 THR HG2% 1.0 1.8 3.27 78 52 A 32 THR H A 35 GLU HBx 1.0 1.8 4.22 79 52 A 32 THR H A 35 GLU HBy 1.0 1.8 4.22 80 53 A 32 THR H A 31 HIS HBy 1.0 1.8 4.39 81 53 A 31 HIS HBx A 32 THR H 1.0 1.8 4.39 82 54 A 43 TYR H A 41 THR HG2% 1.0 1.8 5.50 83 55 A 32 THR H A 36 ILE HA 1.0 1.8 5.50 84 56 A 32 THR H A 35 GLU HA 1.0 1.8 5.50 85 57 A 43 TYR H A 42 LYS HDx 1.0 1.8 5.50 86 57 A 43 TYR H A 42 LYS HDy 1.0 1.8 5.50 87 58 A 57 GLN HE2x A 60 ARG HDx 1.0 1.8 5.50 88 58 A 57 GLN HE2x A 60 ARG HDy 1.0 1.8 5.50 89 59 A 57 GLN HE2y A 60 ARG HDx 1.0 1.8 5.50 90 59 A 60 ARG HDy A 57 GLN HE2y 1.0 1.8 5.50 91 60 A 57 GLN HE2x A 57 GLN HBx 1.0 1.8 5.50 92 60 A 57 GLN HE2x A 57 GLN HBy 1.0 1.8 5.50 93 61 A 57 GLN HE2y A 57 GLN HBx 1.0 1.8 5.50 94 61 A 57 GLN HE2y A 57 GLN HBy 1.0 1.8 5.50 95 62 A 46 ASP H A 47 GLY HAx 1.0 1.8 5.01 96 62 A 47 GLY HAy A 46 ASP H 1.0 1.8 5.01 97 63 A 46 ASP H A 45 GLN HBy 1.0 1.8 4.60 98 63 A 46 ASP H A 45 GLN HBx 1.0 1.8 4.60 99 64 A 47 GLY H A 46 ASP H 1.0 1.8 4.07 100 65 A 46 ASP H A 45 GLN HGy 1.0 1.8 5.50 101 65 A 46 ASP H A 45 GLN HGx 1.0 1.8 5.50 102 66 A 46 ASP H A 45 GLN HBy 1.0 1.8 4.60 103 66 A 46 ASP H A 45 GLN HBx 1.0 1.8 4.60 104 67 A 46 ASP H A 45 GLN HGy 1.0 1.8 5.50 105 67 A 46 ASP H A 45 GLN HGx 1.0 1.8 5.50 106 68 A 52 THR H A 53 GLU HA 1.0 1.8 5.50 107 69 A 52 THR H A 52 THR HG2% 1.0 1.8 4.70 108 70 A 24 GLN H A 26 LEU H 1.0 1.8 4.87 109 71 A 24 GLN H A 22 LEU H 1.0 1.8 4.90 110 72 A 24 GLN H A 27 LYS HEx 1.0 1.8 5.50 111 72 A 27 LYS HEy A 24 GLN H 1.0 1.8 5.50 112 73 A 24 GLN H A 23 ARG HDx 1.0 1.8 4.91 113 73 A 24 GLN H A 23 ARG HDy 1.0 1.8 4.91 114 74 A 24 GLN H A 25 ASP HBx 1.0 1.8 4.58 115 74 A 24 GLN H A 25 ASP HBy 1.0 1.8 4.58 116 75 A 24 GLN H A 36 ILE HG2% 1.0 1.8 5.50 117 76 A 24 GLN H A 24 GLN HBx 1.0 1.8 2.80 118 76 A 24 GLN H A 24 GLN HBy 1.0 1.8 2.80 119 77 A 24 GLN H A 20 ASP HA 1.0 1.8 4.62 120 78 A 26 LEU H A 29 LYS HBx 1.0 1.8 5.50 121 78 A 29 LYS HBy A 26 LEU H 1.0 1.8 5.50 122 79 A 26 LEU H A 29 LYS HEx 1.0 1.8 5.50 123 79 A 29 LYS HEy A 26 LEU H 1.0 1.8 5.50 124 80 A 24 GLN HA A 26 LEU H 1.0 1.8 5.22 125 81 A 26 LEU H A 26 LEU HBy 1.0 1.8 3.82 126 81 A 26 LEU H A 26 LEU HBx 1.0 1.8 3.82 127 82 A 26 LEU H A 25 ASP HBx 1.0 1.8 3.39 128 82 A 26 LEU H A 25 ASP HBy 1.0 1.8 3.39 129 83 A 26 LEU H A 26 LEU HBy 1.0 1.8 3.82 130 83 A 26 LEU H A 26 LEU HBx 1.0 1.8 3.82 131 84 A 26 LEU H A 26 LEU HG 1.0 1.8 3.18 132 85 A 26 LEU H A 23 ARG HA 1.0 1.8 4.41 133 86 A 26 LEU H A 25 ASP H 1.0 1.8 3.62 134 87 A 28 GLY H A 26 LEU H 1.0 1.8 5.50 135 88 A 49 GLN H A 48 ASP HBy 1.0 1.8 5.50 136 88 A 48 ASP HBx A 49 GLN H 1.0 1.8 5.50 137 89 A 49 GLN H A 48 ASP HBy 1.0 1.8 5.50 138 89 A 48 ASP HBx A 49 GLN H 1.0 1.8 5.50 139 90 A 52 THR H A 54 HIS H 1.0 1.8 5.50 140 91 A 54 HIS H A 53 GLU HGy 1.0 1.8 4.89 141 91 A 54 HIS H A 53 GLU HGx 1.0 1.8 4.89 142 92 A 54 HIS H A 52 THR HG1 1.0 1.8 5.50 143 93 A 54 HIS H A 54 HIS HBy 1.0 1.8 3.92 144 93 A 54 HIS H A 54 HIS HBx 1.0 1.8 3.92 145 94 A 54 HIS H A 57 GLN HBx 1.0 1.8 5.50 146 94 A 57 GLN HBy A 54 HIS H 1.0 1.8 5.50 147 95 A 54 HIS H A 53 GLU HGy 1.0 1.8 4.89 148 95 A 54 HIS H A 53 GLU HGx 1.0 1.8 4.89 149 96 A 54 HIS H A 54 HIS HBy 1.0 1.8 3.92 150 96 A 54 HIS H A 54 HIS HBx 1.0 1.8 3.92 151 97 A 54 HIS H A 57 GLN H 1.0 1.8 4.51 152 98 A 54 HIS H A 52 THR HA 1.0 1.8 5.50 153 99 A 54 HIS H A 53 GLU HBx 1.0 1.8 4.74 154 99 A 54 HIS H A 53 GLU HBy 1.0 1.8 4.74 155 100 A 52 THR HG2% A 54 HIS H 1.0 1.8 4.91 156 101 A 60 ARG H A 61 ASP HBy 1.0 1.8 5.50 157 101 A 60 ARG H A 61 ASP HBx 1.0 1.8 5.50 158 102 A 60 ARG H A 61 ASP HA 1.0 1.8 5.50 159 103 A 60 ARG H A 59 MET HBx 1.0 1.8 4.92 160 103 A 60 ARG H A 59 MET HBy 1.0 1.8 4.92 161 104 A 60 ARG H A 61 ASP H 1.0 1.8 3.66 162 105 A 60 ARG H A 62 ASP H 1.0 1.8 5.45 163 106 A 60 ARG H A 60 ARG HBx 1.0 1.8 3.20 164 106 A 60 ARG H A 60 ARG HBy 1.0 1.8 3.20 165 107 A 60 ARG H A 59 MET HGx 1.0 1.8 3.68 166 107 A 60 ARG H A 59 MET HGy 1.0 1.8 3.68 167 108 A 60 ARG H A 59 MET H 1.0 1.8 4.22 168 109 A 60 ARG H A 60 ARG HDx 1.0 1.8 4.53 169 109 A 60 ARG HDy A 60 ARG H 1.0 1.8 4.53 170 110 A 60 ARG H A 59 MET HE% 1.0 1.8 4.62 171 111 A 60 ARG H A 61 ASP HBy 1.0 1.8 5.50 172 111 A 60 ARG H A 61 ASP HBx 1.0 1.8 5.50 173 112 A 55 GLU H A 55 GLU HBx 1.0 1.8 3.80 174 112 A 55 GLU H A 55 GLU HBy 1.0 1.8 3.80 175 113 A 57 GLN H A 55 GLU H 1.0 1.8 4.89 176 114 A 53 GLU HA A 55 GLU H 1.0 1.8 5.24 177 115 A 52 THR HA A 55 GLU H 1.0 1.8 5.50 178 116 A 20 ASP H A 23 ARG HBy 1.0 1.8 5.32 179 116 A 20 ASP H A 23 ARG HBx 1.0 1.8 5.32 180 117 A 18 ASN HD2y A 20 ASP H 1.0 1.8 5.50 181 118 A 20 ASP H A 21 GLU HGy 1.0 1.8 5.50 182 118 A 20 ASP H A 21 GLU HGx 1.0 1.8 5.50 183 119 A 20 ASP H A 23 ARG H 1.0 1.8 4.61 184 120 A 20 ASP H A 18 ASN HBy 1.0 1.8 4.64 185 120 A 20 ASP H A 18 ASN HBx 1.0 1.8 4.64 186 121 A 20 ASP H A 18 ASN HBy 1.0 1.8 4.64 187 121 A 20 ASP H A 18 ASN HBx 1.0 1.8 4.64 188 122 A 20 ASP H A 19 PHE HE% 1.0 1.8 4.52 189 123 A 18 ASN HD2x A 20 ASP H 1.0 1.8 5.50 190 124 A 20 ASP H A 19 PHE H 1.0 1.8 4.16 191 125 A 18 ASN HA A 20 ASP H 1.0 1.8 4.83 192 126 A 20 ASP H A 23 ARG HBy 1.0 1.8 5.32 193 126 A 20 ASP H A 23 ARG HBx 1.0 1.8 5.32 194 127 A 20 ASP H A 17 LEU HDx% 1.0 1.8 5.50 195 127 A 20 ASP H A 17 LEU HDy% 1.0 1.8 5.50 196 128 A 20 ASP H A 22 LEU HG 1.0 1.8 5.50 197 129 A 20 ASP H A 21 GLU HGy 1.0 1.8 5.50 198 129 A 20 ASP H A 21 GLU HGx 1.0 1.8 5.50 199 130 A 26 LEU HA A 29 LYS H 1.0 1.8 3.96 200 131 A 29 LYS H A 29 LYS HBx 1.0 1.8 3.71 201 131 A 29 LYS HBy A 29 LYS H 1.0 1.8 3.71 202 132 A 29 LYS H A 29 LYS HGy 1.0 1.8 4.09 203 132 A 29 LYS H A 29 LYS HGx 1.0 1.8 4.09 204 133 A 29 LYS H A 29 LYS HEx 1.0 1.8 5.49 205 133 A 29 LYS HEy A 29 LYS H 1.0 1.8 5.49 206 134 A 29 LYS H A 29 LYS HDx 1.0 1.8 3.36 207 134 A 29 LYS HDy A 29 LYS H 1.0 1.8 3.36 208 135 A 28 GLY H A 29 LYS H 1.0 1.8 4.44 209 136 A 29 LYS H A 29 LYS HGy 1.0 1.8 4.09 210 136 A 29 LYS H A 29 LYS HGx 1.0 1.8 4.09 211 137 A 26 LEU H A 29 LYS H 1.0 1.8 5.50 212 138 A 30 GLY H A 29 LYS H 1.0 1.8 4.11 213 139 A 53 GLU H A 56 HIS H 1.0 1.8 5.50 214 140 A 53 GLU HA A 56 HIS H 1.0 1.8 5.50 215 141 A 31 HIS H A 29 LYS HGy 1.0 1.8 5.50 216 141 A 29 LYS HGx A 31 HIS H 1.0 1.8 5.50 217 142 A 36 ILE HD1% A 31 HIS H 1.0 1.8 4.69 218 143 A 63 LEU H A 64 GLU H 1.0 1.8 3.31 219 144 A 64 GLU H A 60 ARG HA 1.0 1.8 4.71 220 145 A 64 GLU H A 63 LEU HBy 1.0 1.8 3.76 221 145 A 64 GLU H A 63 LEU HBx 1.0 1.8 3.76 222 146 A 64 GLU H A 64 GLU HGy 1.0 1.8 3.92 223 146 A 64 GLU H A 64 GLU HGx 1.0 1.8 3.92 224 147 A 64 GLU H A 63 LEU HDx% 1.0 1.8 5.09 225 147 A 64 GLU H A 63 LEU HDy% 1.0 1.8 5.09 226 148 A 64 GLU H A 63 LEU HDx% 1.0 1.8 5.09 227 148 A 64 GLU H A 63 LEU HDy% 1.0 1.8 5.09 228 149 A 64 GLU H A 65 LYS H 1.0 1.8 3.57 229 150 A 64 GLU H A 62 ASP HA 1.0 1.8 4.91 230 151 A 64 GLU H A 64 GLU HBx 1.0 1.8 2.90 231 151 A 64 GLU H A 64 GLU HBy 1.0 1.8 2.90 232 152 A 64 GLU H A 63 LEU HBy 1.0 1.8 3.76 233 152 A 64 GLU H A 63 LEU HBx 1.0 1.8 3.76 234 153 A 61 ASP HA A 64 GLU H 1.0 1.8 4.19 235 154 A 31 HIS H A 27 LYS HGx 1.0 1.8 5.50 236 154 A 31 HIS H A 27 LYS HGy 1.0 1.8 5.50 237 155 A 31 HIS H A 29 LYS HGy 1.0 1.8 5.50 238 155 A 29 LYS HGx A 31 HIS H 1.0 1.8 5.50 239 156 A 32 THR HG2% A 31 HIS H 1.0 1.8 5.50 240 157 A 31 HIS H A 29 LYS HBx 1.0 1.8 5.26 241 157 A 29 LYS HBy A 31 HIS H 1.0 1.8 5.26 242 158 A 32 THR H A 31 HIS H 1.0 1.8 5.24 243 159 A 31 HIS H A 31 HIS HBy 1.0 1.8 3.83 244 159 A 31 HIS HBx A 31 HIS H 1.0 1.8 3.83 245 160 A 30 GLY H A 31 HIS H 1.0 1.8 4.08 246 161 A 31 HIS H A 31 HIS HBy 1.0 1.8 3.83 247 161 A 31 HIS HBx A 31 HIS H 1.0 1.8 3.83 248 162 A 10 LEU H A 10 LEU HDx% 1.0 1.8 5.50 249 162 A 10 LEU H A 10 LEU HDy% 1.0 1.8 5.50 250 163 A 36 ILE HB A 37 GLU H 1.0 1.8 3.31 251 164 A 38 ALA HB% A 37 GLU H 1.0 1.8 4.28 252 165 A 37 GLU H A 33 ASP HA 1.0 1.8 4.53 253 166 A 36 ILE HG2% A 37 GLU H 1.0 1.8 3.76 254 167 A 37 GLU H A 36 ILE H 1.0 1.8 3.28 255 168 A 40 PHE HE% A 37 GLU H 1.0 1.8 4.80 256 169 A 37 GLU H A 37 GLU HBx 1.0 1.8 2.77 257 169 A 37 GLU HBy A 37 GLU H 1.0 1.8 2.77 258 170 A 36 ILE HD1% A 37 GLU H 1.0 1.8 4.39 259 171 A 37 GLU H A 35 GLU H 1.0 1.8 4.62 260 172 A 57 GLN H A 57 GLN HBx 1.0 1.8 3.33 261 172 A 57 GLN HBy A 57 GLN H 1.0 1.8 3.33 262 173 A 52 THR HG2% A 57 GLN H 1.0 1.8 5.50 263 174 A 23 ARG H A 21 GLU HA 1.0 1.8 4.76 264 175 A 20 ASP HA A 23 ARG H 1.0 1.8 4.02 265 176 A 23 ARG H A 23 ARG HBy 1.0 1.8 3.35 266 176 A 23 ARG HBx A 23 ARG H 1.0 1.8 3.35 267 177 A 23 ARG H A 23 ARG HBy 1.0 1.8 3.35 268 177 A 23 ARG HBx A 23 ARG H 1.0 1.8 3.35 269 178 A 23 ARG H A 22 LEU HG 1.0 1.8 3.61 270 179 A 36 ILE HG2% A 23 ARG H 1.0 1.8 4.38 271 180 A 23 ARG H A 23 ARG HDx 1.0 1.8 4.54 272 180 A 23 ARG HDy A 23 ARG H 1.0 1.8 4.54 273 181 A 24 GLN H A 23 ARG H 1.0 1.8 3.51 274 182 A 23 ARG H A 25 ASP HBx 1.0 1.8 5.50 275 182 A 25 ASP HBy A 23 ARG H 1.0 1.8 5.50 276 183 A 59 MET H A 59 MET HE% 1.0 1.8 5.13 277 184 A 61 ASP H A 61 ASP HBy 1.0 1.8 3.34 278 184 A 61 ASP HBx A 61 ASP H 1.0 1.8 3.34 279 185 A 61 ASP H A 57 GLN HA 1.0 1.8 4.22 280 186 A 61 ASP H A 61 ASP HBy 1.0 1.8 3.34 281 186 A 61 ASP HBx A 61 ASP H 1.0 1.8 3.34 282 187 A 61 ASP H A 59 MET HGx 1.0 1.8 6.00 283 187 A 61 ASP H A 59 MET HGy 1.0 1.8 6.00 284 188 A 61 ASP H A 57 GLN HBx 1.0 1.8 4.83 285 188 A 57 GLN HBy A 61 ASP H 1.0 1.8 4.83 286 189 A 35 GLU H A 34 ALA H 1.0 1.8 3.76 287 190 A 32 THR H A 35 GLU H 1.0 1.8 4.28 288 191 A 35 GLU H A 35 GLU HGy 1.0 1.8 3.35 289 191 A 35 GLU H A 35 GLU HGx 1.0 1.8 3.35 290 192 A 35 GLU H A 35 GLU HBx 1.0 1.8 3.32 291 192 A 35 GLU HBy A 35 GLU H 1.0 1.8 3.32 292 193 A 35 GLU H A 35 GLU HGy 1.0 1.8 3.35 293 193 A 35 GLU H A 35 GLU HGx 1.0 1.8 3.35 294 194 A 35 GLU H A 34 ALA HB% 1.0 1.8 3.04 295 195 A 36 ILE H A 35 GLU H 1.0 1.8 3.19 296 196 A 36 ILE HD1% A 35 GLU H 1.0 1.8 4.88 297 197 A 33 ASP HA A 35 GLU H 1.0 1.8 4.61 298 198 A 35 GLU H A 32 THR HA 1.0 1.8 4.73 299 199 A 21 GLU H A 19 PHE HA 1.0 1.8 5.23 300 200 A 21 GLU H A 21 GLU HGy 1.0 1.8 3.70 301 200 A 21 GLU H A 21 GLU HGx 1.0 1.8 3.70 302 201 A 21 GLU H A 24 GLN H 1.0 1.8 5.18 303 202 A 21 GLU H A 18 ASN HBy 1.0 1.8 5.28 304 202 A 21 GLU H A 18 ASN HBx 1.0 1.8 5.28 305 203 A 21 GLU H A 18 ASN H 1.0 1.8 4.28 306 204 A 21 GLU H A 18 ASN HD2x 1.0 1.8 5.50 307 205 A 21 GLU H A 21 GLU HGy 1.0 1.8 3.70 308 205 A 21 GLU H A 21 GLU HGx 1.0 1.8 3.70 309 206 A 62 ASP H A 63 LEU H 1.0 1.8 3.30 310 207 A 63 LEU H A 63 LEU HBy 1.0 1.8 3.60 311 207 A 63 LEU H A 63 LEU HBx 1.0 1.8 3.60 312 208 A 21 GLU H A 18 ASN HBy 1.0 1.8 5.28 313 208 A 21 GLU H A 18 ASN HBx 1.0 1.8 5.28 314 209 A 21 GLU H A 17 LEU HDx% 1.0 1.8 5.01 315 209 A 21 GLU H A 17 LEU HDy% 1.0 1.8 5.01 316 210 A 63 LEU H A 63 LEU HBy 1.0 1.8 3.60 317 210 A 63 LEU H A 63 LEU HBx 1.0 1.8 3.60 318 211 A 21 GLU H A 22 LEU HG 1.0 1.8 4.66 319 212 A 61 ASP HA A 65 LYS H 1.0 1.8 5.32 320 213 A 48 ASP H A 48 ASP HBy 1.0 1.8 3.72 321 213 A 48 ASP HBx A 48 ASP H 1.0 1.8 3.72 322 214 A 48 ASP H A 48 ASP HBy 1.0 1.8 3.72 323 214 A 48 ASP HBx A 48 ASP H 1.0 1.8 3.72 324 215 A 47 GLY H A 48 ASP H 1.0 1.8 3.77 325 216 A 65 LYS H A 65 LYS HEx 1.0 1.8 5.50 326 216 A 65 LYS H A 65 LYS HEy 1.0 1.8 5.50 327 217 A 65 LYS H A 65 LYS HBx 1.0 1.8 3.17 328 217 A 65 LYS H A 65 LYS HBy 1.0 1.8 3.17 329 218 A 65 LYS H A 65 LYS HDx 1.0 1.8 4.07 330 218 A 65 LYS H A 65 LYS HDy 1.0 1.8 4.07 331 219 A 63 LEU H A 65 LYS H 1.0 1.8 5.34 332 220 A 65 LYS H A 64 GLU HGy 1.0 1.8 5.25 333 220 A 64 GLU HGx A 65 LYS H 1.0 1.8 5.25 334 221 A 65 LYS H A 64 GLU HBx 1.0 1.8 3.68 335 221 A 65 LYS H A 64 GLU HBy 1.0 1.8 3.68 336 222 A 65 LYS H A 64 GLU HGy 1.0 1.8 5.25 337 222 A 64 GLU HGx A 65 LYS H 1.0 1.8 5.25 338 223 A 66 GLU H A 66 GLU HBy 1.0 1.8 3.66 339 223 A 66 GLU H A 66 GLU HBx 1.0 1.8 3.66 340 224 A 23 ARG HA A 25 ASP H 1.0 1.8 5.50 341 225 A 65 LYS H A 66 GLU H 1.0 1.8 4.04 342 226 A 25 ASP H A 22 LEU HA 1.0 1.8 4.54 343 227 A 66 GLU H A 66 GLU HBy 1.0 1.8 3.66 344 227 A 66 GLU H A 66 GLU HBx 1.0 1.8 3.66 345 228 A 66 GLU H A 65 LYS HBx 1.0 1.8 3.68 346 228 A 65 LYS HBy A 66 GLU H 1.0 1.8 3.68 347 229 A 25 ASP H A 23 ARG H 1.0 1.8 5.50 348 230 A 65 LYS H A 62 ASP HA 1.0 1.8 4.28 349 231 A 63 LEU H A 60 ARG HA 1.0 1.8 4.37 350 232 A 25 ASP H A 24 GLN HBx 1.0 1.8 3.70 351 232 A 24 GLN HBy A 25 ASP H 1.0 1.8 3.70 352 233 A 25 ASP H A 25 ASP HBx 1.0 1.8 3.35 353 233 A 25 ASP HBy A 25 ASP H 1.0 1.8 3.35 354 234 A 25 ASP H A 27 LYS HEx 1.0 1.8 5.50 355 234 A 27 LYS HEy A 25 ASP H 1.0 1.8 5.50 356 235 A 62 ASP HA A 66 GLU H 1.0 1.8 4.84 357 236 A 16 LYS H A 15 GLY HAx 1.0 1.8 3.56 358 236 A 15 GLY HAy A 16 LYS H 1.0 1.8 3.56 359 237 A 16 LYS H A 16 LYS HBx 1.0 1.8 3.88 360 237 A 16 LYS H A 16 LYS HBy 1.0 1.8 3.88 361 238 A 16 LYS H A 16 LYS HGx 1.0 1.8 4.63 362 238 A 16 LYS H A 16 LYS HGy 1.0 1.8 4.63 363 239 A 16 LYS H A 17 LEU H 1.0 1.8 5.27 364 240 A 62 ASP H A 59 MET HBx 1.0 1.8 5.50 365 240 A 59 MET HBy A 62 ASP H 1.0 1.8 5.50 366 241 A 16 LYS H A 17 LEU HDx% 1.0 1.8 5.50 367 241 A 17 LEU HDy% A 16 LYS H 1.0 1.8 5.50 368 242 A 62 ASP H A 58 GLN HA 1.0 1.8 5.50 369 243 A 62 ASP H A 60 ARG HA 1.0 1.8 5.50 370 244 A 62 ASP H A 62 ASP HBy 1.0 1.8 3.47 371 244 A 62 ASP H A 62 ASP HBx 1.0 1.8 3.47 372 245 A 62 ASP H A 62 ASP HBy 1.0 1.8 3.47 373 245 A 62 ASP H A 62 ASP HBx 1.0 1.8 3.47 374 246 A 62 ASP H A 59 MET H 1.0 1.8 5.50 375 247 A 62 ASP H A 59 MET HE% 1.0 1.8 5.50 376 248 A 61 ASP H A 62 ASP H 1.0 1.8 3.32 377 249 A 19 PHE H A 18 ASN HBy 1.0 1.8 4.54 378 249 A 18 ASN HBx A 19 PHE H 1.0 1.8 4.54 379 250 A 40 PHE H A 37 GLU HBx 1.0 1.8 5.41 380 250 A 37 GLU HBy A 40 PHE H 1.0 1.8 5.41 381 251 A 19 PHE H A 18 ASN HBy 1.0 1.8 4.54 382 251 A 18 ASN HBx A 19 PHE H 1.0 1.8 4.54 383 252 A 40 PHE H A 38 ALA HA 1.0 1.8 4.92 384 253 A 19 PHE HE% A 19 PHE H 1.0 1.8 5.20 385 254 A 40 PHE H A 42 LYS H 1.0 1.8 4.53 386 255 A 39 ILE H A 40 PHE H 1.0 1.8 3.48 387 256 A 40 PHE H A 42 LYS HBx 1.0 1.8 5.49 388 256 A 42 LYS HBy A 40 PHE H 1.0 1.8 5.49 389 257 A 41 THR HG2% A 40 PHE H 1.0 1.8 5.44 390 258 A 39 ILE HG2% A 40 PHE H 1.0 1.8 3.71 391 259 A 39 ILE HB A 40 PHE H 1.0 1.8 3.32 392 260 A 41 THR H A 40 PHE H 1.0 1.8 3.64 393 261 A 36 ILE H A 35 GLU HBx 1.0 1.8 3.84 394 261 A 35 GLU HBy A 36 ILE H 1.0 1.8 3.84 395 262 A 36 ILE H A 34 ALA HB% 1.0 1.8 4.69 396 263 A 32 THR H A 36 ILE H 1.0 1.8 5.00 397 264 A 36 ILE HD1% A 36 ILE H 1.0 1.8 3.65 398 265 A 36 ILE HB A 36 ILE H 1.0 1.8 2.93 399 266 A 36 ILE H A 31 HIS HBy 1.0 1.8 4.54 400 266 A 31 HIS HBx A 36 ILE H 1.0 1.8 4.54 401 267 A 38 ALA HB% A 36 ILE H 1.0 1.8 5.23 402 268 A 33 ASP HA A 36 ILE H 1.0 1.8 3.97 403 269 A 67 ARG H A 67 ARG HGy 1.0 1.8 4.21 404 269 A 67 ARG H A 67 ARG HGx 1.0 1.8 4.21 405 270 A 36 ILE H A 31 HIS HBy 1.0 1.8 4.54 406 270 A 31 HIS HBx A 36 ILE H 1.0 1.8 4.54 407 271 A 67 ARG H A 66 GLU HBy 1.0 1.8 4.28 408 271 A 66 GLU HBx A 67 ARG H 1.0 1.8 4.28 409 272 A 67 ARG H A 67 ARG HDx 1.0 1.8 5.02 410 272 A 67 ARG H A 67 ARG HDy 1.0 1.8 5.02 411 273 A 67 ARG H A 66 GLU HBy 1.0 1.8 4.28 412 273 A 66 GLU HBx A 67 ARG H 1.0 1.8 4.28 413 274 A 57 GLN H A 53 GLU H 1.0 1.8 5.50 414 275 A 69 ASP H A 70 LEU H 1.0 1.8 4.09 415 276 A 50 GLU H A 50 GLU HGx 1.0 1.8 5.41 416 276 A 50 GLU H A 50 GLU HGy 1.0 1.8 5.41 417 277 A 69 ASP H A 68 GLU HBy 1.0 1.8 4.46 418 277 A 69 ASP H A 68 GLU HBx 1.0 1.8 4.46 419 278 A 52 THR HG1 A 53 GLU H 1.0 1.8 5.50 420 279 A 69 ASP H A 69 ASP HBy 1.0 1.8 4.00 421 279 A 69 ASP H A 69 ASP HBx 1.0 1.8 4.00 422 280 A 53 GLU H A 53 GLU HGy 1.0 1.8 3.95 423 280 A 53 GLU HGx A 53 GLU H 1.0 1.8 3.95 424 281 A 53 GLU H A 53 GLU HGy 1.0 1.8 3.95 425 281 A 53 GLU HGx A 53 GLU H 1.0 1.8 3.95 426 282 A 69 ASP H A 69 ASP HBy 1.0 1.8 4.00 427 282 A 69 ASP H A 69 ASP HBx 1.0 1.8 4.00 428 283 A 54 HIS H A 53 GLU H 1.0 1.8 4.46 429 284 A 52 THR H A 53 GLU H 1.0 1.8 5.50 430 285 A 52 THR HG2% A 53 GLU H 1.0 1.8 5.14 431 286 A 69 ASP H A 70 LEU HBx 1.0 1.8 5.50 432 286 A 69 ASP H A 70 LEU HBy 1.0 1.8 5.50 433 287 A 6 ILE H A 6 ILE HB 1.0 1.8 4.16 434 288 A 6 ILE H A 5 ASP HBy 1.0 1.8 5.28 435 288 A 6 ILE H A 5 ASP HBx 1.0 1.8 5.28 436 289 A 6 ILE H A 5 ASP HBy 1.0 1.8 5.28 437 289 A 6 ILE H A 5 ASP HBx 1.0 1.8 5.28 438 290 A 44 ASP H A 43 TYR HBy 1.0 1.8 4.52 439 290 A 43 TYR HBx A 44 ASP H 1.0 1.8 4.52 440 291 A 39 ILE HG2% A 44 ASP H 1.0 1.8 5.50 441 292 A 43 TYR H A 44 ASP H 1.0 1.8 3.39 442 293 A 44 ASP H A 42 LYS HA 1.0 1.8 5.07 443 294 A 44 ASP H A 41 THR HA 1.0 1.8 4.17 444 295 A 44 ASP H A 44 ASP HBy 1.0 1.8 3.53 445 295 A 44 ASP HBx A 44 ASP H 1.0 1.8 3.53 446 296 A 44 ASP H A 44 ASP HBy 1.0 1.8 3.53 447 296 A 44 ASP HBx A 44 ASP H 1.0 1.8 3.53 448 297 A 32 THR HG2% A 33 ASP H 1.0 1.8 4.43 449 298 A 71 ASP H A 71 ASP HBy 1.0 1.8 4.08 450 298 A 71 ASP H A 71 ASP HBx 1.0 1.8 4.08 451 299 A 44 ASP H A 43 TYR HBy 1.0 1.8 4.52 452 299 A 43 TYR HBx A 44 ASP H 1.0 1.8 4.52 453 300 A 6 ILE H A 6 ILE HD1% 1.0 1.8 4.96 454 301 A 71 ASP H A 70 LEU HBx 1.0 1.8 4.67 455 301 A 70 LEU HBy A 71 ASP H 1.0 1.8 4.67 456 302 A 6 ILE H A 6 ILE HG2% 1.0 1.8 5.22 457 303 A 71 ASP H A 71 ASP HBy 1.0 1.8 4.08 458 303 A 71 ASP H A 71 ASP HBx 1.0 1.8 4.08 459 304 A 41 THR HG2% A 44 ASP H 1.0 1.8 5.50 460 305 A 71 ASP H A 70 LEU HA 1.0 1.8 3.48 461 306 A 34 ALA HB% A 33 ASP H 1.0 1.8 5.48 462 307 A 71 ASP H A 72 LEU HBx 1.0 1.8 4.55 463 307 A 71 ASP H A 72 LEU HBy 1.0 1.8 4.55 464 308 A 70 LEU H A 71 ASP H 1.0 1.8 4.27 465 309 A 44 ASP H A 45 GLN H 1.0 1.8 4.24 466 310 A 42 LYS H A 42 LYS HDx 1.0 1.8 4.33 467 310 A 42 LYS H A 42 LYS HDy 1.0 1.8 4.33 468 311 A 41 THR HG2% A 42 LYS H 1.0 1.8 3.83 469 312 A 18 ASN H A 16 LYS HBx 1.0 1.8 5.50 470 312 A 18 ASN H A 16 LYS HBy 1.0 1.8 5.50 471 313 A 21 GLU HA A 18 ASN H 1.0 1.8 5.50 472 314 A 18 ASN HD2y A 18 ASN H 1.0 1.8 5.50 473 315 A 18 ASN H A 21 GLU HGy 1.0 1.8 5.35 474 315 A 21 GLU HGx A 18 ASN H 1.0 1.8 5.35 475 316 A 18 ASN H A 21 GLU HBy 1.0 1.8 4.58 476 316 A 18 ASN H A 21 GLU HBx 1.0 1.8 4.58 477 317 A 18 ASN H A 17 LEU HDx% 1.0 1.8 4.36 478 317 A 17 LEU HDy% A 18 ASN H 1.0 1.8 4.36 479 318 A 18 ASN H A 21 GLU HBy 1.0 1.8 4.58 480 318 A 18 ASN H A 21 GLU HBx 1.0 1.8 4.58 481 319 A 18 ASN H A 17 LEU HBx 1.0 1.8 3.94 482 319 A 18 ASN H A 17 LEU HBy 1.0 1.8 3.94 483 320 A 22 LEU HG A 18 ASN H 1.0 1.8 5.50 484 321 A 42 LYS H A 42 LYS HBx 1.0 1.8 2.66 485 321 A 42 LYS HBy A 42 LYS H 1.0 1.8 2.66 486 322 A 18 ASN H A 21 GLU HGy 1.0 1.8 5.35 487 322 A 21 GLU HGx A 18 ASN H 1.0 1.8 5.35 488 323 A 18 ASN HD2x A 18 ASN H 1.0 1.8 5.50 489 324 A 41 THR H A 42 LYS H 1.0 1.8 3.31 490 325 A 34 ALA H A 35 GLU HGy 1.0 1.8 5.50 491 325 A 34 ALA H A 35 GLU HGx 1.0 1.8 5.50 492 326 A 40 PHE HE% A 38 ALA H 1.0 1.8 5.50 493 327 A 34 ALA H A 33 ASP HBy 1.0 1.8 4.18 494 327 A 34 ALA H A 33 ASP HBx 1.0 1.8 4.18 495 328 A 34 ALA H A 33 ASP H 1.0 1.8 5.30 496 329 A 34 ALA H A 34 ALA HB% 1.0 1.8 3.19 497 330 A 34 ALA H A 33 ASP HBy 1.0 1.8 4.18 498 330 A 34 ALA H A 33 ASP HBx 1.0 1.8 4.18 499 331 A 34 ALA H A 32 THR HA 1.0 1.8 5.03 500 332 A 34 ALA H A 35 GLU HGy 1.0 1.8 5.50 501 332 A 34 ALA H A 35 GLU HGx 1.0 1.8 5.50 502 333 A 36 ILE H A 38 ALA H 1.0 1.8 4.41 503 334 A 38 ALA HB% A 38 ALA H 1.0 1.8 2.62 504 335 A 39 ILE HD1% A 38 ALA H 1.0 1.8 4.78 505 336 A 37 GLU H A 38 ALA H 1.0 1.8 3.12 506 337 A 38 ALA H A 37 GLU HGy 1.0 1.8 4.57 507 337 A 37 GLU HGx A 38 ALA H 1.0 1.8 4.57 508 338 A 36 ILE HA A 38 ALA H 1.0 1.8 4.98 509 339 A 38 ALA H A 37 GLU HGy 1.0 1.8 4.57 510 339 A 37 GLU HGx A 38 ALA H 1.0 1.8 4.57 511 340 A 42 LYS H A 44 ASP H 1.0 1.8 4.18 512 341 A 39 ILE H A 35 GLU HA 1.0 1.8 4.92 513 342 A 39 ILE H A 37 GLU HA 1.0 1.8 5.14 514 343 A 39 ILE HB A 39 ILE H 1.0 1.8 3.12 515 344 A 39 ILE H A 39 ILE HG2% 1.0 1.8 3.99 516 345 A 39 ILE HD1% A 39 ILE H 1.0 1.8 3.92 517 346 A 38 ALA HB% A 39 ILE H 1.0 1.8 3.46 518 347 A 39 ILE H A 37 GLU HBx 1.0 1.8 4.99 519 347 A 37 GLU HBy A 39 ILE H 1.0 1.8 4.99 520 348 A 39 ILE H A 36 ILE HA 1.0 1.8 4.25 521 349 A 39 ILE H A 38 ALA H 1.0 1.8 3.54 522 350 A 39 ILE H A 41 THR HG2% 1.0 1.8 6.00 523 351 A 39 ILE H A 37 GLU HGy 1.0 1.8 5.50 524 351 A 37 GLU HGx A 39 ILE H 1.0 1.8 5.50 525 352 A 39 ILE H A 37 GLU HGy 1.0 1.8 5.50 526 352 A 37 GLU HGx A 39 ILE H 1.0 1.8 5.50 527 353 A 67 ARG H A 68 GLU H 1.0 1.8 4.51 528 354 A 18 ASN HA A 22 LEU H 1.0 1.8 5.50 529 355 A 22 LEU H A 25 ASP HBx 1.0 1.8 5.00 530 355 A 22 LEU H A 25 ASP HBy 1.0 1.8 5.00 531 356 A 22 LEU H A 22 LEU HG 1.0 1.8 3.01 532 357 A 22 LEU H A 21 GLU HBy 1.0 1.8 3.78 533 357 A 22 LEU H A 21 GLU HBx 1.0 1.8 3.78 534 358 A 22 LEU H A 17 LEU HDx% 1.0 1.8 4.15 535 358 A 22 LEU H A 17 LEU HDy% 1.0 1.8 4.15 536 359 A 22 LEU H A 19 PHE HA 1.0 1.8 4.08 537 360 A 22 LEU H A 21 GLU HBy 1.0 1.8 3.78 538 360 A 22 LEU H A 21 GLU HBx 1.0 1.8 3.78 539 361 A 22 LEU H A 23 ARG H 1.0 1.8 3.24 540 362 A 70 LEU H A 70 LEU HDx% 1.0 1.8 4.67 541 362 A 70 LEU H A 70 LEU HDy% 1.0 1.8 4.67 542 363 A 70 LEU H A 69 ASP HBy 1.0 1.8 4.34 543 363 A 70 LEU H A 69 ASP HBx 1.0 1.8 4.34 544 364 A 70 LEU H A 69 ASP HBy 1.0 1.8 4.34 545 364 A 70 LEU H A 69 ASP HBx 1.0 1.8 4.34 546 365 A 70 LEU H A 70 LEU HBx 1.0 1.8 3.08 547 365 A 70 LEU H A 70 LEU HBy 1.0 1.8 3.08 548 366 A 72 LEU H A 71 ASP HBy 1.0 1.8 4.90 549 366 A 71 ASP HBx A 72 LEU H 1.0 1.8 4.90 550 367 A 72 LEU H A 71 ASP HBy 1.0 1.8 4.90 551 367 A 71 ASP HBx A 72 LEU H 1.0 1.8 4.90 552 368 A 71 ASP H A 72 LEU H 1.0 1.8 4.58 553 369 A 72 LEU H A 72 LEU HBx 1.0 1.8 3.45 554 369 A 72 LEU HBy A 72 LEU H 1.0 1.8 3.45 555 370 A 27 LYS H A 29 LYS HBx 1.0 1.8 5.50 556 370 A 29 LYS HBy A 27 LYS H 1.0 1.8 5.50 557 371 A 25 ASP H A 27 LYS H 1.0 1.8 4.83 558 372 A 26 LEU H A 27 LYS H 1.0 1.8 3.53 559 373 A 28 GLY H A 27 LYS H 1.0 1.8 4.62 560 374 A 29 LYS H A 27 LYS H 1.0 1.8 5.26 561 375 A 27 LYS H A 25 ASP HBx 1.0 1.8 5.22 562 375 A 25 ASP HBy A 27 LYS H 1.0 1.8 5.22 563 376 A 27 LYS H A 26 LEU HBy 1.0 1.8 4.34 564 376 A 26 LEU HBx A 27 LYS H 1.0 1.8 4.34 565 377 A 27 LYS H A 28 GLY HAx 1.0 1.8 5.20 566 377 A 28 GLY HAy A 27 LYS H 1.0 1.8 5.20 567 378 A 36 ILE HD1% A 27 LYS H 1.0 1.8 3.74 568 379 A 27 LYS H A 27 LYS HBx 1.0 1.8 2.88 569 379 A 27 LYS HBy A 27 LYS H 1.0 1.8 2.88 570 380 A 23 ARG HA A 27 LYS H 1.0 1.8 4.59 571 381 A 24 GLN HA A 27 LYS H 1.0 1.8 4.17 572 382 A 27 LYS H A 24 GLN HBx 1.0 1.8 5.50 573 382 A 24 GLN HBy A 27 LYS H 1.0 1.8 5.50 574 383 A 27 LYS H A 27 LYS HGx 1.0 1.8 4.04 575 383 A 27 LYS HGy A 27 LYS H 1.0 1.8 4.04 576 384 A 27 LYS H A 26 LEU HBy 1.0 1.8 4.34 577 384 A 26 LEU HBx A 27 LYS H 1.0 1.8 4.34 578 385 A 27 LYS H A 27 LYS HEx 1.0 1.8 5.50 579 385 A 27 LYS HEy A 27 LYS H 1.0 1.8 5.50 580 386 A 27 LYS H A 23 ARG HDx 1.0 1.8 5.50 581 386 A 23 ARG HDy A 27 LYS H 1.0 1.8 5.50 582 387 A 17 LEU H A 51 LEU HA 1.0 1.8 5.50 583 388 A 18 ASN H A 17 LEU H 1.0 1.8 4.96 584 389 A 17 LEU H A 16 LYS HGx 1.0 1.8 5.16 585 389 A 16 LYS HGy A 17 LEU H 1.0 1.8 5.16 586 390 A 18 ASN HA A 17 LEU H 1.0 1.8 5.50 587 391 A 17 LEU H A 16 LYS HA 1.0 1.8 3.19 588 392 A 17 LEU H A 17 LEU HDx% 1.0 1.8 4.21 589 392 A 17 LEU HDy% A 17 LEU H 1.0 1.8 4.21 590 393 A 17 LEU H A 16 LYS HBx 1.0 1.8 3.61 591 393 A 16 LYS HBy A 17 LEU H 1.0 1.8 3.61 592 394 A 17 LEU H A 16 LYS HEx 1.0 1.8 5.50 593 394 A 17 LEU H A 16 LYS HEy 1.0 1.8 5.50 594 395 A 17 LEU H A 51 LEU H 1.0 1.8 4.98 595 396 A 17 LEU H A 15 GLY HAx 1.0 1.8 5.50 596 396 A 15 GLY HAy A 17 LEU H 1.0 1.8 5.50 597 397 A 45 GLN H A 46 ASP HBy 1.0 1.8 5.50 598 397 A 46 ASP HBx A 45 GLN H 1.0 1.8 5.50 599 398 A 45 GLN HE2x A 45 GLN H 1.0 1.8 5.50 600 399 A 45 GLN HE2y A 45 GLN H 1.0 1.8 5.50 601 400 A 45 GLN H A 47 GLY HAx 1.0 1.8 5.50 602 400 A 47 GLY HAy A 45 GLN H 1.0 1.8 5.50 603 401 A 47 GLY H A 45 GLN H 1.0 1.8 5.30 604 402 A 45 GLN H A 44 ASP HBy 1.0 1.8 4.94 605 402 A 44 ASP HBx A 45 GLN H 1.0 1.8 4.94 606 403 A 45 GLN H A 44 ASP HBy 1.0 1.8 4.94 607 403 A 44 ASP HBx A 45 GLN H 1.0 1.8 4.94 608 404 A 46 ASP H A 45 GLN H 1.0 1.8 3.48 609 405 A 45 GLN H A 45 GLN HBy 1.0 1.8 3.86 610 405 A 45 GLN HBx A 45 GLN H 1.0 1.8 3.86 611 406 A 45 GLN H A 45 GLN HBy 1.0 1.8 3.86 612 406 A 45 GLN HBx A 45 GLN H 1.0 1.8 3.86 613 407 A 45 GLN H A 45 GLN HGy 1.0 1.8 3.97 614 407 A 45 GLN HGx A 45 GLN H 1.0 1.8 3.97 615 408 A 45 GLN H A 46 ASP HBy 1.0 1.8 5.50 616 408 A 46 ASP HBx A 45 GLN H 1.0 1.8 5.50 617 409 A 43 TYR HA A 45 GLN H 1.0 1.8 5.48 618 410 A 45 GLN H A 44 ASP HA 1.0 1.8 3.39 619 411 A 45 GLN H A 45 GLN HGy 1.0 1.8 3.97 620 411 A 45 GLN HGx A 45 GLN H 1.0 1.8 3.97 621 412 A 77 LEU H A 76 SER HBx 1.0 1.8 5.50 622 412 A 76 SER HBy A 77 LEU H 1.0 1.8 5.50 623 413 A 51 LEU H A 17 LEU HDx% 1.0 1.8 5.50 624 413 A 17 LEU HDy% A 51 LEU H 1.0 1.8 5.50 625 414 A 51 LEU H A 51 LEU HDx% 1.0 1.8 5.50 626 414 A 51 LEU HDy% A 51 LEU H 1.0 1.8 5.50 627 415 A 51 LEU H A 51 LEU HDx% 1.0 1.8 5.50 628 415 A 51 LEU HDy% A 51 LEU H 1.0 1.8 5.50 629 416 A 51 LEU H A 17 LEU HBx 1.0 1.8 5.50 630 416 A 17 LEU HBy A 51 LEU H 1.0 1.8 5.50 631 417 A 51 LEU H A 17 LEU HG 1.0 1.8 5.50 632 418 A 2 THR HG2% A 3 VAL H 1.0 1.8 5.50 633 419 A 43 TYR HE% A 63 LEU H 1.0 1.8 5.50 634 420 A 64 GLU H A 64 GLU HGy 1.0 1.8 3.92 635 420 A 64 GLU H A 64 GLU HGx 1.0 1.8 3.92 636 421 A 64 GLU H A 60 ARG HDx 1.0 1.8 6.00 637 421 A 60 ARG HDy A 64 GLU H 1.0 1.8 6.00 638 422 A 67 ARG H A 67 ARG HGy 1.0 1.8 4.21 639 422 A 67 ARG H A 67 ARG HGx 1.0 1.8 4.21 640 423 A 68 GLU H A 65 LYS HA 1.0 1.8 5.15 641 424 A 68 GLU H A 67 ARG HDx 1.0 1.8 5.50 642 424 A 67 ARG HDy A 68 GLU H 1.0 1.8 5.50 643 425 A 68 GLU H A 70 LEU HBx 1.0 1.8 5.50 644 425 A 70 LEU HBy A 68 GLU H 1.0 1.8 5.50 645 426 A 69 ASP H A 68 GLU HBy 1.0 1.8 4.46 646 426 A 69 ASP H A 68 GLU HBx 1.0 1.8 4.46 647 427 A 70 LEU H A 70 LEU HDx% 1.0 1.8 4.67 648 427 A 70 LEU H A 70 LEU HDy% 1.0 1.8 4.67 649 428 A 3 VAL HB A 4 ASP H 1.0 1.8 5.36 650 429 A 18 ASN H A 17 LEU HA 1.0 1.8 3.40 651 430 A 17 LEU H A 50 GLU H 1.0 1.8 5.50 652 431 A 52 THR H A 51 LEU H 1.0 1.8 5.50 653 432 A 43 TYR HE% A 59 MET H 1.0 1.8 5.50 654 433 A 43 TYR H A 59 MET HBx 1.0 1.8 5.50 655 433 A 43 TYR H A 59 MET HBy 1.0 1.8 5.50 656 434 A 59 MET H A 59 MET HGx 1.0 1.8 4.78 657 434 A 59 MET HGy A 59 MET H 1.0 1.8 4.78 658 435 A 18 ASN H A 51 LEU H 1.0 1.8 5.50 659 436 A 57 GLN H A 59 MET H 1.0 1.8 5.50 660 437 A 61 ASP H A 60 ARG HE 1.0 1.8 5.50 661 438 A 61 ASP H A 59 MET H 1.0 1.8 5.50 662 439 A 54 HIS H A 55 GLU H 1.0 1.8 5.50 663 440 A 59 MET H A 57 GLN HA 1.0 1.8 5.50 664 441 A 59 MET H A 60 ARG HA 1.0 1.8 5.50 665 442 A 49 GLN H A 48 ASP H 1.0 1.8 3.69 666 443 A 66 GLU H A 68 GLU H 1.0 1.8 4.56 667 444 A 66 GLU H A 69 ASP H 1.0 1.8 5.50 668 445 A 62 ASP H A 65 LYS HBx 1.0 1.8 4.87 669 445 A 62 ASP H A 65 LYS HBy 1.0 1.8 4.87 670 446 A 62 ASP H A 59 MET HA 1.0 1.8 5.50 671 447 A 43 TYR H A 41 THR HA 1.0 1.8 5.50 672 448 A 43 TYR H A 44 ASP HA 1.0 1.8 5.50 673 449 A 43 TYR H A 43 TYR HD% 1.0 1.8 4.11 674 450 A 44 ASP H A 43 TYR HD% 1.0 1.8 4.78 675 451 A 18 ASN HA A 51 LEU H 1.0 1.8 5.50 676 452 A 43 TYR HE% A 59 MET HBx 1.0 1.8 4.16 677 452 A 43 TYR HE% A 59 MET HBy 1.0 1.8 4.16 678 453 A 43 TYR HE% A 43 TYR HD% 1.0 1.8 2.90 679 454 A 40 PHE HE% A 37 GLU HBx 1.0 1.8 5.50 680 454 A 37 GLU HBy A 40 PHE HE% 1.0 1.8 5.50 681 455 A 39 ILE HA A 43 TYR HD% 1.0 1.8 5.30 682 456 A 43 TYR HD% A 59 MET HBx 1.0 1.8 4.67 683 456 A 59 MET HBy A 43 TYR HD% 1.0 1.8 4.67 684 457 A 40 PHE HE% A 19 PHE HA 1.0 1.8 4.85 685 458 A 39 ILE HG2% A 43 TYR HD% 1.0 1.8 4.30 686 459 A 31 HIS HD2 A 29 LYS HBx 1.0 1.8 5.26 687 459 A 29 LYS HBy A 31 HIS HD2 1.0 1.8 5.26 688 460 A 39 ILE HA A 43 TYR HE% 1.0 1.8 5.03 689 461 A 39 ILE HG2% A 43 TYR HE% 1.0 1.8 3.97 690 462 A 43 TYR HD% A 42 LYS HBx 1.0 1.8 5.00 691 462 A 42 LYS HBy A 43 TYR HD% 1.0 1.8 5.00 692 463 A 43 TYR HE% A 42 LYS HBx 1.0 1.8 4.92 693 463 A 42 LYS HBy A 43 TYR HE% 1.0 1.8 4.92 694 464 A 43 TYR HE% A 59 MET HGx 1.0 1.8 5.10 695 464 A 43 TYR HE% A 59 MET HGy 1.0 1.8 5.10 696 465 A 43 TYR HD% A 59 MET HGx 1.0 1.8 5.50 697 465 A 59 MET HGy A 43 TYR HD% 1.0 1.8 5.50 698 466 A 4 ASP H A 3 VAL HG11 1.0 1.8 5.44 699 466 A 4 ASP H A 3 VAL HGy% 1.0 1.8 5.44 700 467 A 6 ILE H A 5 ASP HBy 1.0 1.8 4.45 701 467 A 6 ILE H A 5 ASP HBx 1.0 1.8 4.45 702 468 A 6 ILE H A 6 ILE HG1x 1.0 1.8 4.48 703 468 A 6 ILE H A 6 ILE HG1y 1.0 1.8 4.48 704 469 A 17 LEU H A 18 ASN HBy 1.0 1.8 5.34 705 469 A 18 ASN HBx A 17 LEU H 1.0 1.8 5.34 706 470 A 17 LEU H A 21 GLU HBy 1.0 1.8 5.34 707 470 A 17 LEU H A 21 GLU HBx 1.0 1.8 5.34 708 471 A 17 LEU H A 50 GLU HBy 1.0 1.8 5.34 709 471 A 17 LEU H A 50 GLU HBx 1.0 1.8 5.34 710 472 A 18 ASN H A 20 ASP HBy 1.0 1.8 5.34 711 472 A 18 ASN H A 20 ASP HBx 1.0 1.8 5.34 712 473 A 18 ASN H A 21 GLU HBy 1.0 1.8 3.81 713 473 A 18 ASN H A 21 GLU HBx 1.0 1.8 3.81 714 474 A 18 ASN H A 21 GLU HGy 1.0 1.8 4.60 715 474 A 21 GLU HGx A 18 ASN H 1.0 1.8 4.60 716 475 A 19 PHE H A 18 ASN HBy 1.0 1.8 3.80 717 475 A 18 ASN HBx A 19 PHE H 1.0 1.8 3.80 718 476 A 20 ASP H A 18 ASN HBy 1.0 1.8 4.04 719 476 A 20 ASP H A 18 ASN HBx 1.0 1.8 4.04 720 477 A 21 GLU H A 18 ASN HBy 1.0 1.8 4.49 721 477 A 21 GLU H A 18 ASN HBx 1.0 1.8 4.49 722 478 A 22 LEU H A 18 ASN HBy 1.0 1.8 5.34 723 478 A 22 LEU H A 18 ASN HBx 1.0 1.8 5.34 724 479 A 50 GLU H A 18 ASN HBy 1.0 1.8 5.34 725 479 A 18 ASN HBx A 50 GLU H 1.0 1.8 5.34 726 480 A 18 ASN HD2y A 19 PHE H 1.0 1.8 5.34 727 480 A 18 ASN HD2x A 19 PHE H 1.0 1.8 5.34 728 481 A 18 ASN HD2y A 20 ASP H 1.0 1.8 4.75 729 481 A 18 ASN HD2x A 20 ASP H 1.0 1.8 4.75 730 482 A 18 ASN HD2y A 21 GLU H 1.0 1.8 4.84 731 482 A 21 GLU H A 18 ASN HD2x 1.0 1.8 4.84 732 483 A 19 PHE H A 21 GLU HGy 1.0 1.8 5.34 733 483 A 21 GLU HGx A 19 PHE H 1.0 1.8 5.34 734 484 A 40 PHE HE% A 19 PHE HBy 1.0 1.8 4.52 735 484 A 40 PHE HE% A 19 PHE HBx 1.0 1.8 4.52 736 485 A 20 ASP H A 20 ASP HBy 1.0 1.8 2.99 737 485 A 20 ASP H A 20 ASP HBx 1.0 1.8 2.99 738 486 A 20 ASP H A 21 GLU HBy 1.0 1.8 4.77 739 486 A 20 ASP H A 21 GLU HBx 1.0 1.8 4.77 740 487 A 20 ASP H A 21 GLU HGy 1.0 1.8 4.71 741 487 A 20 ASP H A 21 GLU HGx 1.0 1.8 4.71 742 488 A 20 ASP H A 22 LEU HDx% 1.0 1.8 5.44 743 488 A 20 ASP H A 22 LEU HD21 1.0 1.8 5.44 744 489 A 21 GLU H A 20 ASP HBy 1.0 1.8 3.44 745 489 A 21 GLU H A 20 ASP HBx 1.0 1.8 3.44 746 490 A 23 ARG H A 20 ASP HBy 1.0 1.8 5.34 747 490 A 23 ARG H A 20 ASP HBx 1.0 1.8 5.34 748 491 A 21 GLU H A 21 GLU HBy 1.0 1.8 3.09 749 491 A 21 GLU H A 21 GLU HBx 1.0 1.8 3.09 750 492 A 21 GLU H A 21 GLU HGy 1.0 1.8 3.11 751 492 A 21 GLU H A 21 GLU HGx 1.0 1.8 3.11 752 493 A 21 GLU H A 22 LEU HDx% 1.0 1.8 5.44 753 493 A 21 GLU H A 22 LEU HD21 1.0 1.8 5.44 754 494 A 22 LEU H A 21 GLU HBy 1.0 1.8 3.24 755 494 A 22 LEU H A 21 GLU HBx 1.0 1.8 3.24 756 495 A 23 ARG H A 21 GLU HBy 1.0 1.8 5.34 757 495 A 23 ARG H A 21 GLU HBx 1.0 1.8 5.34 758 496 A 22 LEU H A 21 GLU HGy 1.0 1.8 4.51 759 496 A 22 LEU H A 21 GLU HGx 1.0 1.8 4.51 760 497 A 22 LEU H A 22 LEU HBy 1.0 1.8 3.05 761 497 A 22 LEU H A 22 LEU HBx 1.0 1.8 3.05 762 498 A 22 LEU H A 22 LEU HDx% 1.0 1.8 3.94 763 498 A 22 LEU H A 22 LEU HD21 1.0 1.8 3.94 764 499 A 26 LEU H A 22 LEU HBy 1.0 1.8 4.55 765 499 A 26 LEU H A 22 LEU HBx 1.0 1.8 4.55 766 500 A 23 ARG H A 22 LEU HDx% 1.0 1.8 4.59 767 500 A 23 ARG H A 22 LEU HD21 1.0 1.8 4.59 768 501 A 24 GLN H A 22 LEU HDx% 1.0 1.8 5.44 769 501 A 24 GLN H A 22 LEU HD21 1.0 1.8 5.44 770 502 A 25 ASP H A 22 LEU HDx% 1.0 1.8 5.44 771 502 A 25 ASP H A 22 LEU HD21 1.0 1.8 5.44 772 503 A 26 LEU H A 22 LEU HDx% 1.0 1.8 4.64 773 503 A 26 LEU H A 22 LEU HD21 1.0 1.8 4.64 774 504 A 23 ARG H A 23 ARG HBy 1.0 1.8 2.86 775 504 A 23 ARG HBx A 23 ARG H 1.0 1.8 2.86 776 505 A 23 ARG H A 24 GLN HGx 1.0 1.8 5.34 777 505 A 23 ARG H A 24 GLN HGy 1.0 1.8 5.34 778 506 A 23 ARG H A 26 LEU HDx% 1.0 1.8 4.90 779 506 A 23 ARG H A 26 LEU HDy% 1.0 1.8 4.90 780 507 A 24 GLN H A 23 ARG HBy 1.0 1.8 3.58 781 507 A 24 GLN H A 23 ARG HBx 1.0 1.8 3.58 782 508 A 24 GLN H A 23 ARG HGy 1.0 1.8 3.85 783 508 A 24 GLN H A 23 ARG HGx 1.0 1.8 3.85 784 509 A 24 GLN HE2y A 23 ARG HDy 1.0 1.8 5.34 785 509 A 24 GLN HE2y A 23 ARG HDx 1.0 1.8 5.34 786 509 A 24 GLN HE2x A 23 ARG HDx 1.0 1.8 5.34 787 509 A 24 GLN HE2x A 23 ARG HDy 1.0 1.8 5.34 788 510 A 24 GLN H A 24 GLN HGx 1.0 1.8 3.39 789 510 A 24 GLN H A 24 GLN HGy 1.0 1.8 3.39 790 511 A 26 LEU H A 24 GLN HGx 1.0 1.8 5.34 791 511 A 26 LEU H A 24 GLN HGy 1.0 1.8 5.34 792 512 A 27 LYS H A 24 GLN HGx 1.0 1.8 5.34 793 512 A 27 LYS H A 24 GLN HGy 1.0 1.8 5.34 794 513 A 25 ASP H A 26 LEU HDx% 1.0 1.8 5.44 795 513 A 25 ASP H A 26 LEU HDy% 1.0 1.8 5.44 796 514 A 26 LEU H A 26 LEU HBy 1.0 1.8 3.18 797 514 A 26 LEU H A 26 LEU HBx 1.0 1.8 3.18 798 515 A 26 LEU H A 26 LEU HDx% 1.0 1.8 3.52 799 515 A 26 LEU H A 26 LEU HDy% 1.0 1.8 3.52 800 516 A 26 LEU H A 29 LYS HGy 1.0 1.8 4.89 801 516 A 26 LEU H A 29 LYS HGx 1.0 1.8 4.89 802 517 A 27 LYS H A 26 LEU HBy 1.0 1.8 3.60 803 517 A 26 LEU HBx A 27 LYS H 1.0 1.8 3.60 804 518 A 28 GLY H A 26 LEU HBy 1.0 1.8 5.34 805 518 A 28 GLY H A 26 LEU HBx 1.0 1.8 5.34 806 519 A 29 LYS H A 26 LEU HBy 1.0 1.8 5.34 807 519 A 26 LEU HBx A 29 LYS H 1.0 1.8 5.34 808 520 A 31 HIS H A 26 LEU HBy 1.0 1.8 4.92 809 520 A 26 LEU HBx A 31 HIS H 1.0 1.8 4.92 810 521 A 31 HIS HD2 A 26 LEU HBy 1.0 1.8 4.90 811 521 A 26 LEU HBx A 31 HIS HD2 1.0 1.8 4.90 812 522 A 31 HIS HD2 A 26 LEU HDx% 1.0 1.8 4.43 813 522 A 31 HIS HD2 A 26 LEU HDy% 1.0 1.8 4.43 814 523 A 39 ILE H A 26 LEU HDx% 1.0 1.8 5.07 815 523 A 39 ILE H A 26 LEU HDy% 1.0 1.8 5.07 816 524 A 40 PHE H A 26 LEU HDx% 1.0 1.8 4.79 817 524 A 40 PHE H A 26 LEU HDy% 1.0 1.8 4.79 818 525 A 27 LYS H A 31 HIS HBy 1.0 1.8 5.34 819 525 A 31 HIS HBx A 27 LYS H 1.0 1.8 5.34 820 526 A 28 GLY H A 29 LYS HGy 1.0 1.8 5.34 821 526 A 28 GLY H A 29 LYS HGx 1.0 1.8 5.34 822 527 A 29 LYS H A 29 LYS HGy 1.0 1.8 3.45 823 527 A 29 LYS H A 29 LYS HGx 1.0 1.8 3.45 824 528 A 29 LYS H A 30 GLY HAy 1.0 1.8 5.31 825 528 A 29 LYS H A 30 GLY HAx 1.0 1.8 5.31 826 529 A 29 LYS H A 31 HIS HBy 1.0 1.8 5.34 827 529 A 31 HIS HBx A 29 LYS H 1.0 1.8 5.34 828 530 A 30 GLY H A 29 LYS HGy 1.0 1.8 5.34 829 530 A 30 GLY H A 29 LYS HGx 1.0 1.8 5.34 830 531 A 31 HIS HD2 A 29 LYS HGy 1.0 1.8 5.34 831 531 A 29 LYS HGx A 31 HIS HD2 1.0 1.8 5.34 832 532 A 30 GLY H A 31 HIS HBy 1.0 1.8 5.34 833 532 A 30 GLY H A 31 HIS HBx 1.0 1.8 5.34 834 533 A 31 HIS H A 31 HIS HBy 1.0 1.8 3.20 835 533 A 31 HIS HBx A 31 HIS H 1.0 1.8 3.20 836 534 A 31 HIS H A 36 ILE HG1y 1.0 1.8 4.69 837 534 A 31 HIS H A 36 ILE HG1x 1.0 1.8 4.69 838 535 A 32 THR H A 31 HIS HBy 1.0 1.8 3.67 839 535 A 31 HIS HBx A 32 THR H 1.0 1.8 3.67 840 536 A 36 ILE H A 31 HIS HBy 1.0 1.8 3.98 841 536 A 31 HIS HBx A 36 ILE H 1.0 1.8 3.98 842 537 A 32 THR H A 35 GLU HGy 1.0 1.8 3.58 843 537 A 32 THR H A 35 GLU HGx 1.0 1.8 3.58 844 538 A 33 ASP H A 33 ASP HBy 1.0 1.8 3.70 845 538 A 33 ASP H A 33 ASP HBx 1.0 1.8 3.70 846 539 A 34 ALA H A 33 ASP HBy 1.0 1.8 3.67 847 539 A 34 ALA H A 33 ASP HBx 1.0 1.8 3.67 848 540 A 37 GLU H A 33 ASP HBy 1.0 1.8 5.34 849 540 A 37 GLU H A 33 ASP HBx 1.0 1.8 5.34 850 541 A 35 GLU H A 35 GLU HGy 1.0 1.8 2.72 851 541 A 35 GLU H A 35 GLU HGx 1.0 1.8 2.72 852 542 A 35 GLU H A 37 GLU HGy 1.0 1.8 5.04 853 542 A 37 GLU HGx A 35 GLU H 1.0 1.8 5.04 854 543 A 36 ILE H A 35 GLU HGy 1.0 1.8 4.33 855 543 A 36 ILE H A 35 GLU HGx 1.0 1.8 4.33 856 544 A 36 ILE H A 37 GLU HGy 1.0 1.8 5.34 857 544 A 37 GLU HGx A 36 ILE H 1.0 1.8 5.34 858 545 A 37 GLU H A 37 GLU HGy 1.0 1.8 3.47 859 545 A 37 GLU HGx A 37 GLU H 1.0 1.8 3.47 860 546 A 38 ALA H A 37 GLU HGy 1.0 1.8 4.00 861 546 A 37 GLU HGx A 38 ALA H 1.0 1.8 4.00 862 547 A 39 ILE H A 40 PHE HBy 1.0 1.8 5.25 863 547 A 39 ILE H A 40 PHE HBx 1.0 1.8 5.25 864 548 A 43 TYR HE% A 39 ILE HG1x 1.0 1.8 4.19 865 548 A 39 ILE HG1y A 43 TYR HE% 1.0 1.8 4.19 866 549 A 43 TYR HD% A 39 ILE HG1x 1.0 1.8 4.97 867 549 A 39 ILE HG1y A 43 TYR HD% 1.0 1.8 4.97 868 550 A 40 PHE H A 40 PHE HBy 1.0 1.8 3.16 869 550 A 40 PHE H A 40 PHE HBx 1.0 1.8 3.16 870 551 A 45 GLN HE2y A 41 THR HA 1.0 1.8 5.34 871 551 A 45 GLN HE2x A 41 THR HA 1.0 1.8 5.34 872 552 A 41 THR HG2% A 45 GLN HE2y 1.0 1.8 5.34 873 552 A 41 THR HG2% A 45 GLN HE2x 1.0 1.8 5.34 874 553 A 42 LYS H A 42 LYS HGy 1.0 1.8 3.78 875 553 A 42 LYS HGx A 42 LYS H 1.0 1.8 3.78 876 554 A 44 ASP H A 43 TYR HBy 1.0 1.8 3.94 877 554 A 43 TYR HBx A 44 ASP H 1.0 1.8 3.94 878 555 A 59 MET H A 43 TYR HBy 1.0 1.8 6.00 879 555 A 59 MET H A 43 TYR HBx 1.0 1.8 6.00 880 556 A 43 TYR HE% A 62 ASP HBy 1.0 1.8 5.08 881 556 A 43 TYR HE% A 62 ASP HBx 1.0 1.8 5.08 882 557 A 43 TYR HE% A 63 LEU HDx% 1.0 1.8 5.26 883 557 A 43 TYR HE% A 63 LEU HDy% 1.0 1.8 5.26 884 558 A 44 ASP H A 44 ASP HBy 1.0 1.8 3.00 885 558 A 44 ASP HBx A 44 ASP H 1.0 1.8 3.00 886 559 A 44 ASP H A 51 LEU HDx% 1.0 1.8 5.36 887 559 A 51 LEU HDy% A 44 ASP H 1.0 1.8 5.36 888 560 A 45 GLN H A 44 ASP HBy 1.0 1.8 4.33 889 560 A 44 ASP HBx A 45 GLN H 1.0 1.8 4.33 890 561 A 45 GLN H A 45 GLN HBy 1.0 1.8 3.25 891 561 A 45 GLN HBx A 45 GLN H 1.0 1.8 3.25 892 562 A 45 GLN H A 45 GLN HGy 1.0 1.8 3.37 893 562 A 45 GLN HGx A 45 GLN H 1.0 1.8 3.37 894 563 A 46 ASP H A 45 GLN HBy 1.0 1.8 4.01 895 563 A 46 ASP H A 45 GLN HBx 1.0 1.8 4.01 896 564 A 46 ASP H A 45 GLN HGy 1.0 1.8 4.76 897 564 A 46 ASP H A 45 GLN HGx 1.0 1.8 4.76 898 565 A 48 ASP H A 46 ASP HBy 1.0 1.8 4.50 899 565 A 46 ASP HBx A 48 ASP H 1.0 1.8 4.50 900 566 A 47 GLY H A 48 ASP HBy 1.0 1.8 5.34 901 566 A 47 GLY H A 48 ASP HBx 1.0 1.8 5.34 902 567 A 47 GLY H A 49 GLN HGy 1.0 1.8 5.34 903 567 A 47 GLY H A 49 GLN HGx 1.0 1.8 5.34 904 568 A 48 ASP H A 48 ASP HBy 1.0 1.8 3.16 905 568 A 48 ASP HBx A 48 ASP H 1.0 1.8 3.16 906 569 A 49 GLN HE2y A 48 ASP H 1.0 1.8 5.34 907 569 A 49 GLN HE2x A 48 ASP H 1.0 1.8 5.34 908 570 A 49 GLN HE2y A 48 ASP HBy 1.0 1.8 5.18 909 570 A 49 GLN HE2x A 48 ASP HBy 1.0 1.8 5.18 910 570 A 49 GLN HE2x A 48 ASP HBx 1.0 1.8 5.18 911 570 A 49 GLN HE2y A 48 ASP HBx 1.0 1.8 5.18 912 571 A 49 GLN H A 49 GLN HGy 1.0 1.8 4.56 913 571 A 49 GLN H A 49 GLN HGx 1.0 1.8 4.56 914 572 A 49 GLN HE2y A 49 GLN H 1.0 1.8 5.34 915 572 A 49 GLN HE2x A 49 GLN H 1.0 1.8 5.34 916 573 A 57 GLN HE2y A 52 THR HA 1.0 1.8 5.34 917 573 A 57 GLN HE2x A 52 THR HA 1.0 1.8 5.34 918 574 A 53 GLU H A 53 GLU HGy 1.0 1.8 3.39 919 574 A 53 GLU HGx A 53 GLU H 1.0 1.8 3.39 920 575 A 53 GLU H A 54 HIS HBy 1.0 1.8 5.34 921 575 A 54 HIS HBx A 53 GLU H 1.0 1.8 5.34 922 576 A 54 HIS H A 53 GLU HGy 1.0 1.8 4.20 923 576 A 54 HIS H A 53 GLU HGx 1.0 1.8 4.20 924 577 A 57 GLN HE2y A 54 HIS H 1.0 1.8 5.34 925 577 A 57 GLN HE2x A 54 HIS H 1.0 1.8 5.34 926 578 A 55 GLU H A 55 GLU HGy 1.0 1.8 4.49 927 578 A 55 GLU H A 55 GLU HGx 1.0 1.8 4.49 928 579 A 56 HIS H A 55 GLU HGy 1.0 1.8 5.34 929 579 A 56 HIS H A 55 GLU HGx 1.0 1.8 5.34 930 580 A 57 GLN H A 57 GLN HGy 1.0 1.8 3.19 931 580 A 57 GLN H A 57 GLN HGx 1.0 1.8 3.19 932 581 A 57 GLN HE2y A 57 GLN H 1.0 1.8 4.36 933 581 A 57 GLN HE2x A 57 GLN H 1.0 1.8 4.36 934 582 A 57 GLN HE2y A 57 GLN HA 1.0 1.8 5.34 935 582 A 57 GLN HE2x A 57 GLN HA 1.0 1.8 5.34 936 583 A 57 GLN HE2y A 60 ARG H 1.0 1.8 5.24 937 583 A 57 GLN HE2x A 60 ARG H 1.0 1.8 5.24 938 584 A 60 ARG H A 60 ARG HGx 1.0 1.8 3.73 939 584 A 60 ARG H A 60 ARG HGy 1.0 1.8 3.73 940 585 A 60 ARG H A 61 ASP HBy 1.0 1.8 4.64 941 585 A 60 ARG H A 61 ASP HBx 1.0 1.8 4.64 942 586 A 61 ASP H A 60 ARG HGx 1.0 1.8 4.35 943 586 A 61 ASP H A 60 ARG HGy 1.0 1.8 4.35 944 587 A 61 ASP H A 61 ASP HBy 1.0 1.8 2.84 945 587 A 61 ASP HBx A 61 ASP H 1.0 1.8 2.84 946 588 A 62 ASP H A 62 ASP HBy 1.0 1.8 3.03 947 588 A 62 ASP H A 62 ASP HBx 1.0 1.8 3.03 948 589 A 62 ASP H A 63 LEU HDx% 1.0 1.8 5.25 949 589 A 62 ASP H A 63 LEU HDy% 1.0 1.8 5.25 950 590 A 63 LEU H A 62 ASP HBy 1.0 1.8 3.81 951 590 A 63 LEU H A 62 ASP HBx 1.0 1.8 3.81 952 591 A 64 GLU H A 62 ASP HBy 1.0 1.8 5.32 953 591 A 64 GLU H A 62 ASP HBx 1.0 1.8 5.32 954 592 A 65 LYS H A 62 ASP HBy 1.0 1.8 5.34 955 592 A 65 LYS H A 62 ASP HBx 1.0 1.8 5.34 956 593 A 66 GLU H A 62 ASP HBy 1.0 1.8 5.34 957 593 A 66 GLU H A 62 ASP HBx 1.0 1.8 5.34 958 594 A 63 LEU H A 63 LEU HBy 1.0 1.8 2.80 959 594 A 63 LEU H A 63 LEU HBx 1.0 1.8 2.80 960 595 A 63 LEU H A 63 LEU HDx% 1.0 1.8 3.69 961 595 A 63 LEU H A 63 LEU HDy% 1.0 1.8 3.69 962 596 A 64 GLU H A 63 LEU HBy 1.0 1.8 3.25 963 596 A 64 GLU H A 63 LEU HBx 1.0 1.8 3.25 964 597 A 64 GLU H A 63 LEU HDx% 1.0 1.8 4.37 965 597 A 64 GLU H A 63 LEU HDy% 1.0 1.8 4.37 966 598 A 65 LYS H A 63 LEU HDx% 1.0 1.8 5.44 967 598 A 63 LEU HDy% A 65 LYS H 1.0 1.8 5.44 968 599 A 66 GLU H A 63 LEU HDx% 1.0 1.8 5.44 969 599 A 63 LEU HDy% A 66 GLU H 1.0 1.8 5.44 970 600 A 65 LYS H A 64 GLU HGy 1.0 1.8 4.57 971 600 A 64 GLU HGx A 65 LYS H 1.0 1.8 4.57 972 601 A 65 LYS H A 66 GLU HGy 1.0 1.8 5.34 973 601 A 65 LYS H A 66 GLU HGx 1.0 1.8 5.34 974 602 A 66 GLU H A 66 GLU HBy 1.0 1.8 3.13 975 602 A 66 GLU H A 66 GLU HBx 1.0 1.8 3.13 976 603 A 66 GLU H A 66 GLU HGy 1.0 1.8 4.03 977 603 A 66 GLU H A 66 GLU HGx 1.0 1.8 4.03 978 604 A 67 ARG H A 66 GLU HBy 1.0 1.8 3.76 979 604 A 66 GLU HBx A 67 ARG H 1.0 1.8 3.76 980 605 A 67 ARG H A 66 GLU HGy 1.0 1.8 4.92 981 605 A 67 ARG H A 66 GLU HGx 1.0 1.8 4.92 982 606 A 67 ARG H A 67 ARG HGy 1.0 1.8 3.46 983 606 A 67 ARG H A 67 ARG HGx 1.0 1.8 3.46 984 607 A 68 GLU H A 67 ARG HGy 1.0 1.8 5.34 985 607 A 67 ARG HGx A 68 GLU H 1.0 1.8 5.34 986 608 A 68 GLU H A 68 GLU HBy 1.0 1.8 3.58 987 608 A 68 GLU HBx A 68 GLU H 1.0 1.8 3.58 988 609 A 68 GLU H A 68 GLU HGx 1.0 1.8 4.63 989 609 A 68 GLU H A 68 GLU HGy 1.0 1.8 4.63 990 610 A 68 GLU H A 69 ASP HBy 1.0 1.8 5.34 991 610 A 69 ASP HBx A 68 GLU H 1.0 1.8 5.34 992 611 A 69 ASP H A 68 GLU HBy 1.0 1.8 3.89 993 611 A 69 ASP H A 68 GLU HBx 1.0 1.8 3.89 994 612 A 70 LEU H A 68 GLU HBy 1.0 1.8 5.34 995 612 A 70 LEU H A 68 GLU HBx 1.0 1.8 5.34 996 613 A 69 ASP H A 68 GLU HGx 1.0 1.8 5.32 997 613 A 69 ASP H A 68 GLU HGy 1.0 1.8 5.32 998 614 A 70 LEU H A 68 GLU HGx 1.0 1.8 5.34 999 614 A 70 LEU H A 68 GLU HGy 1.0 1.8 5.34 1000 615 A 69 ASP H A 69 ASP HBy 1.0 1.8 3.43 1001 615 A 69 ASP H A 69 ASP HBx 1.0 1.8 3.43 1002 616 A 70 LEU H A 70 LEU HDx% 1.0 1.8 4.07 1003 616 A 70 LEU H A 70 LEU HDy% 1.0 1.8 4.07 1004 617 A 71 ASP H A 70 LEU HDx% 1.0 1.8 5.30 1005 617 A 71 ASP H A 70 LEU HDy% 1.0 1.8 5.30 1006 618 A 71 ASP H A 71 ASP HBy 1.0 1.8 3.55 1007 618 A 71 ASP H A 71 ASP HBx 1.0 1.8 3.55 1008 619 A 72 LEU H A 71 ASP HBy 1.0 1.8 4.23 1009 619 A 71 ASP HBx A 72 LEU H 1.0 1.8 4.23 1010 620 A 72 LEU H A 72 LEU HDx% 1.0 1.8 5.14 1011 620 A 72 LEU H A 72 LEU HDy% 1.0 1.8 5.14 1012 621 A 73 ASP H A 72 LEU HDx% 1.0 1.8 5.44 1013 621 A 72 LEU HDy% A 73 ASP H 1.0 1.8 5.44 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 ASN C A 2 THR N A 2 THR CA A 2 THR C 1.0 -146.3 -14.9 PHI 2 2 A 2 THR N A 2 THR CA A 2 THR C A 3 VAL N 1.0 -86.3 31.9 PSI 3 3 A 2 THR C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -196.6 20.0 PHI 4 4 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 ASP N 1.0 -147.1 84.1 PSI 5 5 A 3 VAL C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -260.5 64.9 PHI 6 6 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 ASP N 1.0 45.2 244.8 PSI 7 7 A 4 ASP C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -223.2 12.0 PHI 8 8 A 5 ASP N A 5 ASP CA A 5 ASP C A 6 ILE N 1.0 32.8 228.8 PSI 9 9 A 5 ASP C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -140.4 -7.0 PHI 10 10 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 SER N 1.0 -73.0 -17.4 PSI 11 11 A 6 ILE C A 7 SER N A 7 SER CA A 7 SER C 1.0 -131.5 -15.7 PHI 12 12 A 7 SER N A 7 SER CA A 7 SER C A 8 GLU N 1.0 -69.9 12.1 PSI 13 13 A 7 SER C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -76.1 -61.5 PHI 14 14 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 SER N 1.0 -49.0 -22.4 PSI 15 15 A 8 GLU C A 9 SER N A 9 SER CA A 9 SER C 1.0 -83.5 -55.3 PHI 16 16 A 9 SER N A 9 SER CA A 9 SER C A 10 LEU N 1.0 -51.0 -12.8 PSI 17 17 A 9 SER C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -69.1 -59.1 PHI 18 18 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 ARG N 1.0 -43.3 -30.3 PSI 19 19 A 10 LEU C A 11 ARG N A 11 ARG CA A 11 ARG C 1.0 -72.1 -58.9 PHI 20 20 A 11 ARG N A 11 ARG CA A 11 ARG C A 12 GLN N 1.0 -53.4 -26.2 PSI 21 21 A 12 GLN C A 13 GLY N A 13 GLY CA A 13 GLY C 1.0 47.1 143.9 PHI 22 22 A 13 GLY N A 13 GLY CA A 13 GLY C A 14 GLY N 1.0 -19.0 17.8 PSI 23 23 A 13 GLY C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 -123.9 -13.1 PHI 24 24 A 14 GLY N A 14 GLY CA A 14 GLY C A 15 GLY N 1.0 -113.6 65.4 PSI 25 25 A 14 GLY C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 42.9 107.7 PHI 26 26 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 LYS N 1.0 -73.2 89.2 PSI 27 27 A 15 GLY C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -119.8 -66.6 PHI 28 28 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 LEU N 1.0 108.0 169.4 PSI 29 29 A 16 LYS C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -159.0 -76.8 PHI 30 30 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 ASN N 1.0 111.6 186.8 PSI 31 31 A 17 LEU C A 18 ASN N A 18 ASN CA A 18 ASN C 1.0 -189.1 9.5 PHI 32 32 A 18 ASN N A 18 ASN CA A 18 ASN C A 19 PHE N 1.0 117.5 204.7 PSI 33 33 A 18 ASN C A 19 PHE N A 19 PHE CA A 19 PHE C 1.0 -82.4 -32.4 PHI 34 34 A 19 PHE N A 19 PHE CA A 19 PHE C A 20 ASP N 1.0 -53.0 -29.6 PSI 35 35 A 19 PHE C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -71.7 -58.7 PHI 36 36 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 GLU N 1.0 -42.7 -29.1 PSI 37 37 A 20 ASP C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -67.4 -59.6 PHI 38 38 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 LEU N 1.0 -52.3 -33.7 PSI 39 39 A 21 GLU C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -73.8 -56.8 PHI 40 40 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 ARG N 1.0 -45.8 -36.0 PSI 41 41 A 22 LEU C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -64.2 -54.0 PHI 42 42 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 GLN N 1.0 -53.6 -29.8 PSI 43 43 A 23 ARG C A 24 GLN N A 24 GLN CA A 24 GLN C 1.0 -71.3 -56.1 PHI 44 44 A 24 GLN N A 24 GLN CA A 24 GLN C A 25 ASP N 1.0 -47.4 -35.2 PSI 45 45 A 24 GLN C A 25 ASP N A 25 ASP CA A 25 ASP C 1.0 -68.4 -60.2 PHI 46 46 A 25 ASP N A 25 ASP CA A 25 ASP C A 26 LEU N 1.0 -47.7 -37.1 PSI 47 47 A 25 ASP C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -70.1 -62.3 PHI 48 48 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 LYS N 1.0 -44.7 -33.1 PSI 49 49 A 26 LEU C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -70.9 -55.3 PHI 50 50 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 GLY N 1.0 -48.2 -35.8 PSI 51 51 A 27 LYS C A 28 GLY N A 28 GLY CA A 28 GLY C 1.0 -84.0 -58.6 PHI 52 52 A 28 GLY N A 28 GLY CA A 28 GLY C A 29 LYS N 1.0 -42.8 -3.6 PSI 53 53 A 28 GLY C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -100.4 -70.6 PHI 54 54 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 GLY N 1.0 -21.0 17.8 PSI 55 55 A 29 LYS C A 30 GLY N A 30 GLY CA A 30 GLY C 1.0 72.0 115.8 PHI 56 56 A 30 GLY N A 30 GLY CA A 30 GLY C A 31 HIS N 1.0 -0.3 18.9 PSI 57 57 A 30 GLY C A 31 HIS N A 31 HIS CA A 31 HIS C 1.0 -90.8 -67.2 PHI 58 58 A 31 HIS N A 31 HIS CA A 31 HIS C A 32 THR N 1.0 140.4 161.0 PSI 59 59 A 31 HIS C A 32 THR N A 32 THR CA A 32 THR C 1.0 -105.4 -73.6 PHI 60 60 A 32 THR N A 32 THR CA A 32 THR C A 33 ASP N 1.0 159.0 171.6 PSI 61 61 A 32 THR C A 33 ASP N A 33 ASP CA A 33 ASP C 1.0 -64.0 -53.8 PHI 62 62 A 33 ASP N A 33 ASP CA A 33 ASP C A 34 ALA N 1.0 -44.4 -31.0 PSI 63 63 A 33 ASP C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -69.7 -59.3 PHI 64 64 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 GLU N 1.0 -44.9 -32.7 PSI 65 65 A 34 ALA C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -75.5 -62.3 PHI 66 66 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 ILE N 1.0 -48.0 -35.8 PSI 67 67 A 35 GLU C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -67.0 -57.2 PHI 68 68 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 GLU N 1.0 -48.9 -38.1 PSI 69 69 A 36 ILE C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -68.3 -55.3 PHI 70 70 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 ALA N 1.0 -49.9 -36.9 PSI 71 71 A 37 GLU C A 38 ALA N A 38 ALA CA A 38 ALA C 1.0 -66.4 -61.6 PHI 72 72 A 38 ALA N A 38 ALA CA A 38 ALA C A 39 ILE N 1.0 -44.5 -34.7 PSI 73 73 A 38 ALA C A 39 ILE N A 39 ILE CA A 39 ILE C 1.0 -66.3 -62.3 PHI 74 74 A 39 ILE N A 39 ILE CA A 39 ILE C A 40 PHE N 1.0 -43.4 -37.6 PSI 75 75 A 39 ILE C A 40 PHE N A 40 PHE CA A 40 PHE C 1.0 -64.1 -58.1 PHI 76 76 A 40 PHE N A 40 PHE CA A 40 PHE C A 41 THR N 1.0 -49.9 -37.1 PSI 77 77 A 40 PHE C A 41 THR N A 41 THR CA A 41 THR C 1.0 -69.7 -58.3 PHI 78 78 A 41 THR N A 41 THR CA A 41 THR C A 42 LYS N 1.0 -45.8 -35.6 PSI 79 79 A 41 THR C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -83.6 -51.6 PHI 80 80 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 TYR N 1.0 -46.8 -33.0 PSI 81 81 A 42 LYS C A 43 TYR N A 43 TYR CA A 43 TYR C 1.0 -99.3 -72.7 PHI 82 82 A 43 TYR N A 43 TYR CA A 43 TYR C A 44 ASP N 1.0 -29.5 2.5 PSI 83 83 A 43 TYR C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -124.4 -72.2 PHI 84 84 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 GLN N 1.0 67.5 127.9 PSI 85 85 A 44 ASP C A 45 GLN N A 45 GLN CA A 45 GLN C 1.0 -72.1 -46.7 PHI 86 86 A 45 GLN N A 45 GLN CA A 45 GLN C A 46 ASP N 1.0 -48.0 -15.0 PSI 87 87 A 45 GLN C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -103.6 -82.0 PHI 88 88 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 GLY N 1.0 -0.8 18.4 PSI 89 89 A 46 ASP C A 47 GLY N A 47 GLY CA A 47 GLY C 1.0 39.8 60.4 PHI 90 90 A 47 GLY N A 47 GLY CA A 47 GLY C A 48 ASP N 1.0 22.4 48.4 PSI 91 91 A 47 GLY C A 48 ASP N A 48 ASP CA A 48 ASP C 1.0 -116.9 -53.3 PHI 92 92 A 48 ASP N A 48 ASP CA A 48 ASP C A 49 GLN N 1.0 -34.0 17.4 PSI 93 93 A 48 ASP C A 49 GLN N A 49 GLN CA A 49 GLN C 1.0 -166.1 -64.9 PHI 94 94 A 49 GLN N A 49 GLN CA A 49 GLN C A 50 GLU N 1.0 99.8 198.2 PSI 95 95 A 49 GLN C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -138.6 -76.8 PHI 96 96 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 LEU N 1.0 116.9 144.9 PSI 97 97 A 50 GLU C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -116.6 -93.6 PHI 98 98 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 THR N 1.0 118.7 148.3 PSI 99 99 A 51 LEU C A 52 THR N A 52 THR CA A 52 THR C 1.0 -128.1 -81.9 PHI 100 100 A 52 THR N A 52 THR CA A 52 THR C A 53 GLU N 1.0 155.0 181.4 PSI 101 101 A 52 THR C A 53 GLU N A 53 GLU CA A 53 GLU C 1.0 -131.5 -11.7 PHI 102 102 A 53 GLU N A 53 GLU CA A 53 GLU C A 54 HIS N 1.0 -145.6 108.0 PSI 103 103 A 53 GLU C A 54 HIS N A 54 HIS CA A 54 HIS C 1.0 -88.6 -55.6 PHI 104 104 A 54 HIS N A 54 HIS CA A 54 HIS C A 55 GLU N 1.0 -47.5 -30.9 PSI 105 105 A 54 HIS C A 55 GLU N A 55 GLU CA A 55 GLU C 1.0 -88.7 -53.7 PHI 106 106 A 55 GLU N A 55 GLU CA A 55 GLU C A 56 HIS N 1.0 -53.0 -24.8 PSI 107 107 A 55 GLU C A 56 HIS N A 56 HIS CA A 56 HIS C 1.0 -65.1 -56.1 PHI 108 108 A 56 HIS N A 56 HIS CA A 56 HIS C A 57 GLN N 1.0 -53.7 -36.5 PSI 109 109 A 56 HIS C A 57 GLN N A 57 GLN CA A 57 GLN C 1.0 -66.1 -53.1 PHI 110 110 A 57 GLN N A 57 GLN CA A 57 GLN C A 58 GLN N 1.0 -51.4 -34.6 PSI 111 111 A 57 GLN C A 58 GLN N A 58 GLN CA A 58 GLN C 1.0 -68.5 -56.3 PHI 112 112 A 58 GLN N A 58 GLN CA A 58 GLN C A 59 MET N 1.0 -53.7 -32.5 PSI 113 113 A 58 GLN C A 59 MET N A 59 MET CA A 59 MET C 1.0 -69.6 -58.2 PHI 114 114 A 59 MET N A 59 MET CA A 59 MET C A 60 ARG N 1.0 -46.2 -35.0 PSI 115 115 A 59 MET C A 60 ARG N A 60 ARG CA A 60 ARG C 1.0 -71.6 -60.0 PHI 116 116 A 60 ARG N A 60 ARG CA A 60 ARG C A 61 ASP N 1.0 -46.2 -34.6 PSI 117 117 A 60 ARG C A 61 ASP N A 61 ASP CA A 61 ASP C 1.0 -65.2 -59.8 PHI 118 118 A 61 ASP N A 61 ASP CA A 61 ASP C A 62 ASP N 1.0 -47.5 -36.9 PSI 119 119 A 61 ASP C A 62 ASP N A 62 ASP CA A 62 ASP C 1.0 -74.3 -57.5 PHI 120 120 A 62 ASP N A 62 ASP CA A 62 ASP C A 63 LEU N 1.0 -45.6 -37.0 PSI 121 121 A 62 ASP C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -72.0 -56.2 PHI 122 122 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 GLU N 1.0 -49.9 -33.1 PSI 123 123 A 63 LEU C A 64 GLU N A 64 GLU CA A 64 GLU C 1.0 -67.3 -57.9 PHI 124 124 A 64 GLU N A 64 GLU CA A 64 GLU C A 65 LYS N 1.0 -49.6 -34.6 PSI 125 125 A 64 GLU C A 65 LYS N A 65 LYS CA A 65 LYS C 1.0 -78.7 -55.3 PHI 126 126 A 65 LYS N A 65 LYS CA A 65 LYS C A 66 GLU N 1.0 -52.5 -22.7 PSI 127 127 A 65 LYS C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -101.5 -48.1 PHI 128 128 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 ARG N 1.0 -50.9 -9.7 PSI 129 129 A 66 GLU C A 67 ARG N A 67 ARG CA A 67 ARG C 1.0 -87.5 -44.9 PHI 130 130 A 67 ARG N A 67 ARG CA A 67 ARG C A 68 GLU N 1.0 -60.5 -16.9 PSI 131 131 A 67 ARG C A 68 GLU N A 68 GLU CA A 68 GLU C 1.0 -89.6 -47.2 PHI 132 132 A 68 GLU N A 68 GLU CA A 68 GLU C A 69 ASP N 1.0 -65.0 -1.0 PSI 133 133 A 68 GLU C A 69 ASP N A 69 ASP CA A 69 ASP C 1.0 -105.3 -52.1 PHI 134 134 A 69 ASP N A 69 ASP CA A 69 ASP C A 70 LEU N 1.0 -45.8 -16.4 PSI 135 135 A 69 ASP C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -98.1 -43.3 PHI 136 136 A 70 LEU N A 70 LEU CA A 70 LEU C A 71 ASP N 1.0 -103.2 56.6 PSI 137 137 A 70 LEU C A 71 ASP N A 71 ASP CA A 71 ASP C 1.0 -135.2 -21.8 PHI 138 138 A 71 ASP N A 71 ASP CA A 71 ASP C A 72 LEU N 1.0 -62.2 1.2 PSI 139 139 A 71 ASP C A 72 LEU N A 72 LEU CA A 72 LEU C 1.0 -110.9 -31.3 PHI 140 140 A 72 LEU N A 72 LEU CA A 72 LEU C A 73 ASP N 1.0 -136.9 93.5 PSI 141 141 A 72 LEU C A 73 ASP N A 73 ASP CA A 73 ASP C 1.0 -129.2 -16.2 PHI 142 142 A 73 ASP N A 73 ASP CA A 73 ASP C A 74 HIS N 1.0 7.4 259.8 PSI 143 143 A 73 ASP C A 74 HIS N A 74 HIS CA A 74 HIS C 1.0 -157.0 27.0 PHI 144 144 A 74 HIS N A 74 HIS CA A 74 HIS C A 75 SER N 1.0 -70.0 -4.4 PSI 145 145 A 75 SER C A 76 SER N A 76 SER CA A 76 SER C 1.0 -162.0 -27.8 PHI 146 146 A 76 SER N A 76 SER CA A 76 SER C A 77 LEU N 1.0 -41.5 14.5 PSI 147 147 A 76 SER C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -110.3 -51.7 PHI 148 148 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 PRO N 1.0 102.5 157.1 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 3 VAL N A 3 VAL H 1.0 . . . 2 2 A 6 ILE N A 6 ILE H 1.0 . . . 3 3 A 8 GLU N A 8 GLU H 1.0 . . . 4 4 A 15 GLY N A 15 GLY H 1.0 . . . 5 5 A 16 LYS N A 16 LYS H 1.0 . . . 6 6 A 17 LEU N A 17 LEU H 1.0 . . . 7 7 A 18 ASN N A 18 ASN H 1.0 . . . 8 8 A 19 PHE N A 19 PHE H 1.0 . . . 9 9 A 20 ASP N A 20 ASP H 1.0 . . . 10 10 A 21 GLU N A 21 GLU H 1.0 . . . 11 11 A 22 LEU N A 22 LEU H 1.0 . . . 12 12 A 23 ARG N A 23 ARG H 1.0 . . . 13 13 A 24 GLN N A 24 GLN H 1.0 . . . 14 14 A 25 ASP N A 25 ASP H 1.0 . . . 15 15 A 26 LEU N A 26 LEU H 1.0 . . . 16 16 A 27 LYS N A 27 LYS H 1.0 . . . 17 17 A 28 GLY N A 28 GLY H 1.0 . . . 18 18 A 29 LYS N A 29 LYS H 1.0 . . . 19 19 A 30 GLY N A 30 GLY H 1.0 . . . 20 20 A 31 HIS N A 31 HIS H 1.0 . . . 21 21 A 32 THR N A 32 THR H 1.0 . . . 22 22 A 33 ASP N A 33 ASP H 1.0 . . . 23 23 A 34 ALA N A 34 ALA H 1.0 . . . 24 24 A 35 GLU N A 35 GLU H 1.0 . . . 25 25 A 36 ILE N A 36 ILE H 1.0 . . . 26 26 A 37 GLU N A 37 GLU H 1.0 . . . 27 27 A 38 ALA N A 38 ALA H 1.0 . . . 28 28 A 39 ILE N A 39 ILE H 1.0 . . . 29 29 A 40 PHE N A 40 PHE H 1.0 . . . 30 30 A 41 THR N A 41 THR H 1.0 . . . 31 31 A 42 LYS N A 42 LYS H 1.0 . . . 32 32 A 43 TYR N A 43 TYR H 1.0 . . . 33 33 A 44 ASP N A 44 ASP H 1.0 . . . 34 34 A 45 GLN N A 45 GLN H 1.0 . . . 35 35 A 46 ASP N A 46 ASP H 1.0 . . . 36 36 A 47 GLY N A 47 GLY H 1.0 . . . 37 37 A 49 GLN N A 49 GLN H 1.0 . . . 38 38 A 50 GLU N A 50 GLU H 1.0 . . . 39 39 A 51 LEU N A 51 LEU H 1.0 . . . 40 40 A 52 THR N A 52 THR H 1.0 . . . 41 41 A 53 GLU N A 53 GLU H 1.0 . . . 42 42 A 54 HIS N A 54 HIS H 1.0 . . . 43 43 A 55 GLU N A 55 GLU H 1.0 . . . 44 44 A 57 GLN N A 57 GLN H 1.0 . . . 45 45 A 59 MET N A 59 MET H 1.0 . . . 46 46 A 60 ARG N A 60 ARG H 1.0 . . . 47 47 A 61 ASP N A 61 ASP H 1.0 . . . 48 48 A 62 ASP N A 62 ASP H 1.0 . . . 49 49 A 63 LEU N A 63 LEU H 1.0 . . . 50 50 A 64 GLU N A 64 GLU H 1.0 . . . 51 51 A 65 LYS N A 65 LYS H 1.0 . . . 52 52 A 66 GLU N A 66 GLU H 1.0 . . . 53 53 A 67 ARG N A 67 ARG H 1.0 . . . 54 54 A 68 GLU N A 68 GLU H 1.0 . . . 55 55 A 69 ASP N A 69 ASP H 1.0 . . . 56 56 A 70 LEU N A 70 LEU H 1.0 . . . 57 57 A 71 ASP N A 71 ASP H 1.0 . . . 58 58 A 72 LEU N A 72 LEU H 1.0 . . . 59 59 A 77 LEU N A 77 LEU H 1.0 . . . stop_ save_