data_nef_c15575_2jxw 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 ASP start . . 2 A 2 PRO middle . false 3 A 3 SER middle . . 4 A 4 LYS middle . . 5 A 5 GLY middle . false 6 A 6 ARG middle . . 7 A 7 TRP middle . . 8 A 8 VAL middle . . 9 A 9 GLU middle . . 10 A 10 GLY middle . false 11 A 11 ILE middle . . 12 A 12 THR middle . . 13 A 13 SER middle . . 14 A 14 GLU middle . . 15 A 15 GLY middle . false 16 A 16 TYR middle . . 17 A 17 HIS middle . . 18 A 18 TYR middle . . 19 A 19 TYR middle . . 20 A 20 TYR middle . . 21 A 21 ASP middle . . 22 A 22 LEU middle . . 23 A 23 ILE middle . . 24 A 24 SER middle . . 25 A 25 GLY middle . false 26 A 26 ALA middle . . 27 A 27 SER middle . . 28 A 28 GLN middle . . 29 A 29 TRP middle . . 30 A 30 GLU middle . . 31 A 31 LYS middle . . 32 A 32 PRO middle . false 33 A 33 GLU middle . . 34 A 34 GLY middle . false 35 A 35 PHE middle . . 36 A 36 GLN middle . . 37 A 37 GLY middle . false 38 A 38 ASP middle . . 39 A 39 LEU middle . . 40 A 40 LYS middle . . 41 A 41 LYS middle . . 42 A 42 THR middle . . 43 A 43 ALA middle . . 44 A 44 VAL middle . . 45 A 45 LYS middle . . 46 A 46 THR middle . . 47 A 47 VAL middle . . 48 A 48 TRP middle . . 49 A 49 VAL middle . . 50 A 50 GLU middle . . 51 A 51 GLY middle . false 52 A 52 LEU middle . . 53 A 53 SER middle . . 54 A 54 GLU middle . . 55 A 55 ASP middle . . 56 A 56 GLY middle . false 57 A 57 PHE middle . . 58 A 58 THR middle . . 59 A 59 TYR middle . . 60 A 60 TYR middle . . 61 A 61 TYR middle . . 62 A 62 ASN middle . . 63 A 63 THR middle . . 64 A 64 GLU middle . . 65 A 65 THR middle . . 66 A 66 GLY middle . false 67 A 67 GLU middle . . 68 A 68 SER middle . . 69 A 69 ARG middle . . 70 A 70 TRP middle . . 71 A 71 GLU middle . . 72 A 72 LYS middle . . 73 A 73 PRO middle . false 74 A 74 ASP middle . . 75 A 75 ASP 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 2 PRO HA H 1 4.343 0.009 A 2 PRO HBy H 1 2.146 0.011 A 2 PRO HBx H 1 1.880 0.012 A 2 PRO HDy H 1 3.802 0.008 A 2 PRO HDx H 1 3.737 0.009 A 2 PRO HGy H 1 2.128 0.005 A 2 PRO HGx H 1 1.874 0.008 A 2 PRO C C 13 177.468 0.007 A 2 PRO CA C 13 63.465 0.168 A 2 PRO CB C 13 32.098 0.088 A 2 PRO CD C 13 50.962 0.000 A 2 PRO CG C 13 26.959 0.000 A 3 SER H H 1 8.438 0.009 A 3 SER HA H 1 4.264 0.007 A 3 SER HBy H 1 3.834 0.004 A 3 SER HBx H 1 3.789 0.006 A 3 SER C C 13 175.012 0.000 A 3 SER CA C 13 59.603 0.083 A 3 SER CB C 13 63.657 0.089 A 3 SER N N 15 115.628 0.063 A 4 LYS H H 1 7.948 0.008 A 4 LYS HA H 1 4.317 0.009 A 4 LYS HBy H 1 1.869 0.014 A 4 LYS HBx H 1 1.715 0.011 A 4 LYS HEx H 1 2.881 0.011 A 4 LYS HEy H 1 2.881 0.011 A 4 LYS HGy H 1 1.567 0.009 A 4 LYS HGx H 1 1.306 0.012 A 4 LYS C C 13 176.860 0.011 A 4 LYS CA C 13 56.133 0.073 A 4 LYS CB C 13 32.937 0.032 A 4 LYS CD C 13 28.939 0.000 A 4 LYS CE C 13 42.264 0.000 A 4 LYS CG C 13 24.800 0.000 A 4 LYS N N 15 122.190 0.042 A 5 GLY H H 1 8.017 0.011 A 5 GLY HAy H 1 3.808 0.008 A 5 GLY HAx H 1 3.629 0.010 A 5 GLY C C 13 173.161 0.013 A 5 GLY CA C 13 45.059 0.130 A 5 GLY N N 15 108.523 0.054 A 6 ARG H H 1 8.157 0.009 A 6 ARG HA H 1 4.328 0.010 A 6 ARG HBx H 1 1.540 0.009 A 6 ARG HBy H 1 1.540 0.009 A 6 ARG HDx H 1 2.930 0.008 A 6 ARG HDy H 1 2.930 0.008 A 6 ARG HE H 1 7.151 0.000 A 6 ARG HGx H 1 1.245 0.010 A 6 ARG HGy H 1 1.245 0.010 A 6 ARG C C 13 173.926 0.005 A 6 ARG CA C 13 55.744 0.012 A 6 ARG CB C 13 31.118 0.118 A 6 ARG CD C 13 43.782 0.000 A 6 ARG N N 15 122.734 0.062 A 7 TRP H H 1 7.956 0.009 A 7 TRP HA H 1 5.181 0.005 A 7 TRP HBy H 1 3.075 0.016 A 7 TRP HBx H 1 2.866 0.005 A 7 TRP HD1 H 1 7.114 0.014 A 7 TRP HE1 H 1 10.023 0.004 A 7 TRP HE3 H 1 7.170 0.006 A 7 TRP HH2 H 1 6.852 0 A 7 TRP HZ2 H 1 7.237 0.007 A 7 TRP HZ3 H 1 6.716 0.004 A 7 TRP C C 13 176.937 0.022 A 7 TRP CA C 13 56.525 0.018 A 7 TRP CB C 13 31.713 0.022 A 7 TRP N N 15 120.834 0.053 A 7 TRP NE1 N 15 128.776 0.008 A 8 VAL H H 1 9.421 0.010 A 8 VAL HA H 1 4.544 0.011 A 8 VAL HB H 1 1.695 0.018 A 8 VAL C C 13 174.045 0.000 A 8 VAL CA C 13 60.224 0.143 A 8 VAL CB C 13 35.235 0.042 A 8 VAL CGx C 13 21.694 0.000 A 8 VAL CGy C 13 21.694 0.000 A 8 VAL N N 15 120.231 0.044 A 9 GLU H H 1 8.573 0.007 A 9 GLU HA H 1 4.513 0.010 A 9 GLU HBy H 1 1.924 0.009 A 9 GLU HBx H 1 1.846 0.014 A 9 GLU HGx H 1 2.523 0.004 A 9 GLU HGy H 1 2.523 0.004 A 9 GLU C C 13 175.789 0.007 A 9 GLU CA C 13 54.704 0.178 A 9 GLU CB C 13 32.132 0.120 A 9 GLU CG C 13 36.447 0.000 A 9 GLU N N 15 124.063 0.087 A 10 GLY H H 1 8.244 0.008 A 10 GLY HAy H 1 4.244 0.011 A 10 GLY HAx H 1 2.677 0.008 A 10 GLY C C 13 178.711 0.000 A 10 GLY CA C 13 43.265 0.180 A 10 GLY N N 15 114.123 0.053 A 11 ILE H H 1 7.967 0.010 A 11 ILE HA H 1 4.874 0.013 A 11 ILE HB H 1 1.362 0.010 A 11 ILE C C 13 177.132 0.013 A 11 ILE CA C 13 59.522 0.055 A 11 ILE CB C 13 41.005 0.043 A 11 ILE CG2 C 13 16.847 0.000 A 11 ILE N N 15 117.451 0.098 A 12 THR H H 1 9.333 0.012 A 12 THR HA H 1 4.810 0.007 A 12 THR HB H 1 4.698 0.003 A 12 THR CA C 13 60.868 0.000 A 12 THR CB C 13 71.670 0.000 A 12 THR N N 15 118.780 0.061 A 13 SER HA H 1 4.045 0.013 A 13 SER HBx H 1 3.831 0.014 A 13 SER HBy H 1 3.831 0.014 A 13 SER C C 13 175.483 0.000 A 13 SER CB C 13 62.489 0.000 A 14 GLU H H 1 7.685 0.013 A 14 GLU HA H 1 4.149 0.002 A 14 GLU HBy H 1 1.815 0.011 A 14 GLU HBx H 1 1.377 0.009 A 14 GLU HGx H 1 2.006 0.008 A 14 GLU HGy H 1 2.006 0.008 A 14 GLU C C 13 176.176 0.019 A 14 GLU CA C 13 56.719 0.090 A 14 GLU CB C 13 29.212 0.047 A 14 GLU CG C 13 36.449 0.000 A 14 GLU N N 15 116.879 0.056 A 15 GLY H H 1 7.880 0.009 A 15 GLY HAy H 1 4.025 0.011 A 15 GLY HAx H 1 3.333 0.009 A 15 GLY C C 13 174.178 0.005 A 15 GLY CA C 13 44.873 0.190 A 15 GLY N N 15 106.481 0.055 A 16 TYR H H 1 7.337 0.007 A 16 TYR HA H 1 4.782 0.009 A 16 TYR HBy H 1 3.129 0.015 A 16 TYR HBx H 1 2.971 0.013 A 16 TYR HDx H 1 6.886 0.004 A 16 TYR HDy H 1 6.886 0.004 A 16 TYR HEx H 1 6.579 0.006 A 16 TYR HEy H 1 6.579 0.006 A 16 TYR C C 13 175.995 0.025 A 16 TYR CA C 13 56.414 0.035 A 16 TYR CB C 13 38.407 0.147 A 16 TYR N N 15 119.711 0.051 A 17 HIS H H 1 9.209 0.008 A 17 HIS HA H 1 5.280 0.010 A 17 HIS HBy H 1 3.156 0.005 A 17 HIS HBx H 1 2.909 0.015 A 17 HIS HD2 H 1 7.245 0.004 A 17 HIS HE1 H 1 8.204 0.003 A 17 HIS C C 13 173.919 0.027 A 17 HIS CA C 13 55.909 0.012 A 17 HIS CB C 13 29.968 0.088 A 17 HIS N N 15 123.461 0.088 A 18 TYR H H 1 8.275 0.008 A 18 TYR HA H 1 4.791 0.004 A 18 TYR HBy H 1 2.582 0.006 A 18 TYR HBx H 1 2.374 0.004 A 18 TYR HDx H 1 6.684 0.010 A 18 TYR HDy H 1 6.684 0.010 A 18 TYR HEx H 1 6.338 0.007 A 18 TYR HEy H 1 6.338 0.007 A 18 TYR C C 13 171.293 0.000 A 18 TYR CA C 13 55.630 0.005 A 18 TYR CB C 13 40.498 0.009 A 18 TYR N N 15 119.382 0.042 A 19 TYR H H 1 8.717 0.011 A 19 TYR HA H 1 5.108 0.012 A 19 TYR HBy H 1 2.570 0.005 A 19 TYR HBx H 1 2.365 0.011 A 19 TYR HDx H 1 6.371 0.008 A 19 TYR HDy H 1 6.371 0.008 A 19 TYR HEx H 1 6.270 0.005 A 19 TYR HEy H 1 6.270 0.005 A 19 TYR C C 13 174.324 0.000 A 19 TYR CA C 13 56.672 0.000 A 19 TYR CB C 13 41.349 0.026 A 19 TYR N N 15 117.669 0.038 A 20 TYR H H 1 9.333 0.008 A 20 TYR HA H 1 5.461 0.013 A 20 TYR HBx H 1 2.736 0.014 A 20 TYR HBy H 1 2.736 0.014 A 20 TYR HDx H 1 6.644 0.009 A 20 TYR HDy H 1 6.644 0.009 A 20 TYR HEx H 1 6.452 0.003 A 20 TYR HEy H 1 6.452 0.003 A 20 TYR C C 13 172.648 0.000 A 20 TYR CA C 13 56.265 0.257 A 20 TYR CB C 13 41.675 0.044 A 20 TYR N N 15 123.121 0.090 A 21 ASP H H 1 8.060 0.008 A 21 ASP HA H 1 3.963 0.010 A 21 ASP HBx H 1 1.955 0.006 A 21 ASP HBy H 1 1.955 0.006 A 21 ASP C C 13 176.726 0.000 A 21 ASP CB C 13 40.660 0.066 A 21 ASP N N 15 124.947 0.070 A 22 LEU H H 1 8.701 0.009 A 22 LEU HA H 1 3.803 0.012 A 22 LEU HBy H 1 1.525 0.002 A 22 LEU HBx H 1 1.344 0.006 A 22 LEU HDx% H 1 0.785 0.009 A 22 LEU HDy% H 1 0.679 0.007 A 22 LEU HG H 1 1.662 0.005 A 22 LEU C C 13 171.131 0.000 A 22 LEU CA C 13 56.936 0.030 A 22 LEU CB C 13 42.973 0.111 A 22 LEU CDx C 13 23.169 0.000 A 22 LEU CDy C 13 23.169 0.000 A 22 LEU CG C 13 25.262 0.000 A 22 LEU N N 15 125.621 0.038 A 23 ILE H H 1 7.954 0.011 A 23 ILE HA H 1 3.770 0.008 A 23 ILE HB H 1 1.938 0.007 A 23 ILE HD1% H 1 0.558 0.010 A 23 ILE HG1x H 1 1.007 0.005 A 23 ILE HG1y H 1 1.007 0.005 A 23 ILE HG2% H 1 0.656 0.004 A 23 ILE C C 13 177.384 0.011 A 23 ILE CA C 13 62.782 0.003 A 23 ILE CB C 13 36.355 0.079 A 23 ILE N N 15 117.225 0.091 A 24 SER H H 1 7.304 0.016 A 24 SER HA H 1 4.211 0.002 A 24 SER HBy H 1 3.829 0.018 A 24 SER HBx H 1 3.620 0.013 A 24 SER C C 13 176.179 0.000 A 24 SER CA C 13 59.194 0.138 A 24 SER CB C 13 65.204 0.068 A 24 SER N N 15 112.672 0.072 A 25 GLY H H 1 8.115 0.009 A 25 GLY HAy H 1 3.994 0.009 A 25 GLY HAx H 1 3.572 0.010 A 25 GLY C C 13 173.419 0.022 A 25 GLY CA C 13 45.454 0.191 A 25 GLY N N 15 112.660 0.058 A 26 ALA H H 1 7.493 0.009 A 26 ALA HA H 1 4.208 0.011 A 26 ALA HB% H 1 1.288 0.013 A 26 ALA C C 13 175.562 0.003 A 26 ALA CA C 13 52.174 0.114 A 26 ALA CB C 13 20.084 0.094 A 26 ALA N N 15 123.147 0.032 A 27 SER H H 1 8.092 0.015 A 27 SER HA H 1 5.696 0.007 A 27 SER HBx H 1 3.580 0.004 A 27 SER HBy H 1 3.580 0.004 A 27 SER N N 15 111.999 0.091 A 28 GLN H H 1 9.273 0.007 A 28 GLN HA H 1 4.777 0.004 A 28 GLN HBy H 1 2.320 0.013 A 28 GLN HBx H 1 2.066 0.006 A 28 GLN HE2y H 1 6.463 0.002 A 28 GLN C C 13 174.516 0.000 A 28 GLN CA C 13 54.538 0.060 A 28 GLN CB C 13 32.431 0.000 A 28 GLN CG C 13 31.805 0.000 A 28 GLN N N 15 117.111 0.056 A 28 GLN NE2 N 15 112.213 0.063 A 29 TRP H H 1 8.460 0.007 A 29 TRP HA H 1 4.930 0.007 A 29 TRP HBy H 1 3.484 0.015 A 29 TRP HBx H 1 3.042 0.009 A 29 TRP HD1 H 1 7.232 0.003 A 29 TRP HE3 H 1 7.968 0.004 A 29 TRP HH2 H 1 6.863 0 A 29 TRP HZ2 H 1 6.938 0.000 A 29 TRP HZ3 H 1 6.773 0.002 A 29 TRP C C 13 176.784 0.000 A 29 TRP CA C 13 58.035 0.110 A 29 TRP CB C 13 30.609 0.026 A 29 TRP N N 15 120.208 0.107 A 30 GLU H H 1 7.938 0.010 A 30 GLU HA H 1 4.200 0.004 A 30 GLU HBx H 1 1.739 0.003 A 30 GLU HBy H 1 1.739 0.003 A 30 GLU HGx H 1 2.102 0.016 A 30 GLU HGy H 1 2.102 0.016 A 30 GLU C C 13 175.499 0.027 A 30 GLU CA C 13 55.896 0.107 A 30 GLU CB C 13 30.371 0.043 A 30 GLU CG C 13 36.256 0.000 A 30 GLU N N 15 117.673 0.099 A 31 LYS H H 1 8.278 0.010 A 31 LYS HA H 1 4.233 0.003 A 31 LYS HBx H 1 1.738 0.002 A 31 LYS HBy H 1 1.738 0.002 A 31 LYS HDx H 1 1.511 0.007 A 31 LYS HDy H 1 1.511 0.007 A 31 LYS HEx H 1 2.816 0.010 A 31 LYS HEy H 1 2.816 0.010 A 31 LYS HGx H 1 1.244 0.007 A 31 LYS HGy H 1 1.244 0.007 A 31 LYS C C 13 174.702 0.000 A 31 LYS N N 15 125.450 0.039 A 32 PRO HA H 1 3.789 0.012 A 32 PRO HBx H 1 0.952 0.010 A 32 PRO HBy H 1 0.952 0.010 A 32 PRO HDx H 1 2.579 0.002 A 32 PRO HDy H 1 2.579 0.002 A 32 PRO HGy H 1 0.379 0.011 A 32 PRO HGx H 1 0.060 0.015 A 32 PRO C C 13 176.597 0.003 A 32 PRO CA C 13 61.692 0.026 A 32 PRO CB C 13 31.207 0.094 A 32 PRO CD C 13 50.777 0.000 A 32 PRO CG C 13 25.665 0.000 A 33 GLU H H 1 8.392 0.009 A 33 GLU HA H 1 3.849 0.015 A 33 GLU HBx H 1 1.795 0.015 A 33 GLU HBy H 1 1.795 0.015 A 33 GLU HGy H 1 2.132 0.004 A 33 GLU HGx H 1 1.968 0.003 A 33 GLU C C 13 177.743 0.016 A 33 GLU CA C 13 57.720 0.065 A 33 GLU CB C 13 29.366 0.052 A 33 GLU CG C 13 35.965 0.000 A 33 GLU N N 15 123.256 0.053 A 34 GLY H H 1 8.645 0.010 A 34 GLY HAy H 1 3.929 0.011 A 34 GLY HAx H 1 3.698 0.010 A 34 GLY C C 13 174.323 0.000 A 34 GLY CA C 13 45.251 0.135 A 34 GLY N N 15 111.388 0.044 A 35 PHE H H 1 7.495 0.009 A 35 PHE HA H 1 4.224 0.019 A 35 PHE HBy H 1 2.680 0.009 A 35 PHE HBx H 1 2.611 0.011 A 35 PHE HDx H 1 6.999 0.004 A 35 PHE HDy H 1 6.999 0.004 A 35 PHE HEx H 1 7.355 0.007 A 35 PHE HEy H 1 7.355 0.007 A 35 PHE HZ H 1 7.402 0.003 A 35 PHE C C 13 175.434 0.043 A 35 PHE CA C 13 58.918 0.045 A 35 PHE CB C 13 39.949 0.006 A 35 PHE N N 15 120.628 0.033 A 36 GLN H H 1 8.258 0.008 A 36 GLN HA H 1 4.103 0.011 A 36 GLN HBy H 1 1.927 0.013 A 36 GLN HBx H 1 1.705 0.014 A 36 GLN HE2y H 1 7.378 0.001 A 36 GLN HE2x H 1 6.779 0.000 A 36 GLN HGx H 1 2.106 0.022 A 36 GLN HGy H 1 2.106 0.022 A 36 GLN C C 13 175.463 0.000 A 36 GLN CA C 13 55.327 0.016 A 36 GLN CB C 13 29.674 0.116 A 36 GLN CG C 13 33.445 0.027 A 36 GLN N N 15 125.765 0.092 A 36 GLN NE2 N 15 112.069 0.059 A 37 GLY H H 1 7.281 0.009 A 37 GLY HAx H 1 3.744 0.007 A 37 GLY HAy H 1 3.744 0.007 A 37 GLY C C 13 173.450 0.034 A 37 GLY CA C 13 45.444 0.148 A 37 GLY N N 15 108.676 0.043 A 38 ASP H H 1 8.281 0.011 A 38 ASP HA H 1 4.516 0.015 A 38 ASP HBy H 1 2.603 0.009 A 38 ASP HBx H 1 2.527 0.008 A 38 ASP C C 13 176.388 0.016 A 38 ASP CA C 13 54.110 0.037 A 38 ASP CB C 13 41.399 0.154 A 38 ASP N N 15 120.087 0.044 A 39 LEU H H 1 8.172 0.009 A 39 LEU HA H 1 4.217 0.012 A 39 LEU HBx H 1 1.513 0.009 A 39 LEU HBy H 1 1.513 0.009 A 39 LEU HDx% H 1 0.726 0.015 A 39 LEU HDy% H 1 0.726 0.015 A 39 LEU HG H 1 1.251 0.001 A 39 LEU C C 13 177.567 0.032 A 39 LEU CA C 13 55.394 0.012 A 39 LEU CB C 13 42.160 0.087 A 39 LEU CDx C 13 24.474 0.000 A 39 LEU CDy C 13 24.474 0.000 A 39 LEU CG C 13 26.901 0.000 A 39 LEU N N 15 122.975 0.071 A 40 LYS H H 1 8.320 0.009 A 40 LYS HA H 1 4.210 0.004 A 40 LYS HBx H 1 1.703 0.004 A 40 LYS HBy H 1 1.703 0.004 A 40 LYS HDx H 1 1.542 0.007 A 40 LYS HDy H 1 1.542 0.007 A 40 LYS HEx H 1 2.870 0.007 A 40 LYS HEy H 1 2.870 0.007 A 40 LYS HGx H 1 1.318 0.010 A 40 LYS HGy H 1 1.318 0.010 A 40 LYS C C 13 176.647 0.009 A 40 LYS CA C 13 56.222 0.079 A 40 LYS CB C 13 32.798 0.025 A 40 LYS CD C 13 28.854 0.000 A 40 LYS CE C 13 42.206 0.000 A 40 LYS CG C 13 24.824 0.000 A 40 LYS N N 15 121.775 0.049 A 41 LYS H H 1 8.231 0.011 A 41 LYS HA H 1 4.278 0.008 A 41 LYS HBx H 1 1.678 0.002 A 41 LYS HBy H 1 1.678 0.002 A 41 LYS HDx H 1 1.556 0.001 A 41 LYS HDy H 1 1.556 0.001 A 41 LYS HEx H 1 2.880 0.011 A 41 LYS HEy H 1 2.880 0.011 A 41 LYS HGx H 1 1.317 0.007 A 41 LYS HGy H 1 1.317 0.007 A 41 LYS C C 13 176.726 0.016 A 41 LYS CA C 13 56.390 0.105 A 41 LYS CB C 13 33.021 0.013 A 41 LYS CD C 13 29.074 0.000 A 41 LYS CE C 13 42.270 0.000 A 41 LYS CG C 13 24.794 0.000 A 41 LYS N N 15 122.410 0.048 A 42 THR H H 1 8.073 0.010 A 42 THR HA H 1 4.211 0.013 A 42 THR HB H 1 4.082 0.012 A 42 THR HG2% H 1 1.093 0.013 A 42 THR C C 13 174.073 0.044 A 42 THR CA C 13 61.628 0.060 A 42 THR CB C 13 69.823 0.011 A 42 THR CG2 C 13 21.458 0.000 A 42 THR N N 15 115.558 0.053 A 43 ALA H H 1 8.275 0.010 A 43 ALA HA H 1 4.258 0.011 A 43 ALA HB% H 1 1.251 0.013 A 43 ALA C C 13 177.414 0.010 A 43 ALA CA C 13 52.227 0.039 A 43 ALA CB C 13 19.471 0.060 A 43 ALA N N 15 126.858 0.038 A 44 VAL H H 1 8.046 0.011 A 44 VAL HA H 1 3.971 0.013 A 44 VAL HB H 1 1.903 0.014 A 44 VAL HGx% H 1 0.853 0.004 A 44 VAL HGy% H 1 0.771 0.004 A 44 VAL C C 13 175.966 0.005 A 44 VAL CA C 13 62.075 0.048 A 44 VAL CB C 13 32.770 0.044 A 44 VAL CGx C 13 20.768 0.000 A 44 VAL CGy C 13 20.768 0.000 A 44 VAL N N 15 119.894 0.047 A 45 LYS H H 1 8.373 0.010 A 45 LYS HA H 1 4.296 0.010 A 45 LYS HBx H 1 1.670 0.010 A 45 LYS HBy H 1 1.670 0.010 A 45 LYS HDx H 1 1.526 0.006 A 45 LYS HDy H 1 1.526 0.006 A 45 LYS HEx H 1 2.839 0.013 A 45 LYS HEy H 1 2.839 0.013 A 45 LYS HGx H 1 1.268 0.011 A 45 LYS HGy H 1 1.268 0.011 A 45 LYS C C 13 176.157 0.032 A 45 LYS CA C 13 56.150 0.039 A 45 LYS CB C 13 33.187 0.057 A 45 LYS CD C 13 28.956 0.000 A 45 LYS CE C 13 42.182 0.000 A 45 LYS CG C 13 24.580 0.000 A 45 LYS N N 15 125.685 0.032 A 46 THR H H 1 8.173 0.009 A 46 THR HA H 1 4.391 0.014 A 46 THR HB H 1 4.122 0.013 A 46 THR HG2% H 1 1.102 0.011 A 46 THR C C 13 174.073 0.022 A 46 THR CA C 13 61.219 0.040 A 46 THR CB C 13 69.524 0.080 A 46 THR CG2 C 13 21.155 0.000 A 46 THR N N 15 117.846 0.058 A 47 VAL H H 1 8.174 0.009 A 47 VAL HA H 1 3.943 0.010 A 47 VAL HB H 1 1.915 0.014 A 47 VAL HGy% H 1 0.562 0.014 A 47 VAL C C 13 175.250 0.006 A 47 VAL CA C 13 63.151 0.037 A 47 VAL CB C 13 32.401 0.033 A 47 VAL CGx C 13 21.611 0.000 A 47 VAL CGy C 13 21.611 0.000 A 47 VAL N N 15 121.602 0.039 A 48 TRP H H 1 8.021 0.007 A 48 TRP HA H 1 5.145 0.010 A 48 TRP HBy H 1 3.009 0.010 A 48 TRP HBx H 1 2.827 0.015 A 48 TRP HD1 H 1 7.161 0.009 A 48 TRP HE1 H 1 10.312 0.003 A 48 TRP HE3 H 1 7.181 0.005 A 48 TRP HH2 H 1 6.852 0 A 48 TRP HZ2 H 1 7.374 0.004 A 48 TRP HZ3 H 1 6.808 0.007 A 48 TRP C C 13 176.486 0.012 A 48 TRP CA C 13 56.272 0.030 A 48 TRP CB C 13 30.904 0.062 A 48 TRP N N 15 121.701 0.040 A 48 TRP NE1 N 15 130.323 0.007 A 49 VAL H H 1 9.456 0.012 A 49 VAL HA H 1 4.384 0.009 A 49 VAL HB H 1 1.825 0.011 A 49 VAL HGy% H 1 0.773 0.011 A 49 VAL C C 13 174.834 0.014 A 49 VAL CA C 13 60.412 0.009 A 49 VAL CB C 13 34.812 0.122 A 49 VAL CGx C 13 21.021 0.000 A 49 VAL CGy C 13 21.021 0.000 A 49 VAL N N 15 121.721 0.064 A 50 GLU H H 1 8.485 0.011 A 50 GLU HA H 1 4.346 0.011 A 50 GLU HBx H 1 1.771 0.013 A 50 GLU HBy H 1 1.771 0.013 A 50 GLU HGx H 1 1.882 0.009 A 50 GLU HGy H 1 1.882 0.009 A 50 GLU C C 13 175.998 0.026 A 50 GLU CA C 13 55.683 0.029 A 50 GLU CB C 13 31.355 0.072 A 50 GLU CG C 13 36.715 0.061 A 50 GLU N N 15 125.369 0.058 A 51 GLY H H 1 8.364 0.009 A 51 GLY HAy H 1 4.159 0.014 A 51 GLY HAx H 1 2.717 0.018 A 51 GLY C C 13 171.099 0.027 A 51 GLY CA C 13 43.469 0.080 A 51 GLY N N 15 113.725 0.064 A 52 LEU H H 1 8.011 0.010 A 52 LEU HA H 1 4.960 0.009 A 52 LEU HBy H 1 1.469 0.012 A 52 LEU HBx H 1 1.296 0.011 A 52 LEU HDx% H 1 0.669 0.013 A 52 LEU HG H 1 1.452 0.009 A 52 LEU C C 13 177.534 0.021 A 52 LEU CA C 13 53.434 0.027 A 52 LEU CB C 13 45.083 0.078 A 52 LEU CDx C 13 24.435 0.000 A 52 LEU CDy C 13 24.435 0.000 A 52 LEU N N 15 120.606 0.058 A 53 SER H H 1 9.715 0.014 A 53 SER HA H 1 4.651 0.014 A 53 SER HBy H 1 4.479 0.016 A 53 SER HBx H 1 4.087 0.012 A 53 SER C C 13 176.385 0.000 A 53 SER CA C 13 57.645 0.131 A 53 SER CB C 13 65.448 0.078 A 53 SER N N 15 122.674 0.057 A 54 GLU H H 1 9.404 0.011 A 54 GLU HA H 1 4.035 0.014 A 54 GLU HBx H 1 1.991 0.010 A 54 GLU HBy H 1 1.991 0.010 A 54 GLU HGx H 1 2.255 0.013 A 54 GLU HGy H 1 2.255 0.013 A 54 GLU C C 13 176.825 0.017 A 54 GLU CA C 13 59.190 0.049 A 54 GLU CB C 13 29.360 0.043 A 54 GLU CG C 13 36.187 0.011 A 54 GLU N N 15 122.889 0.067 A 55 ASP H H 1 8.123 0.011 A 55 ASP HA H 1 4.527 0.013 A 55 ASP HBy H 1 2.619 0.011 A 55 ASP HBx H 1 2.554 0.013 A 55 ASP C C 13 175.663 0.041 A 55 ASP CA C 13 53.220 0.038 A 55 ASP CB C 13 40.119 0.061 A 55 ASP N N 15 114.263 0.059 A 56 GLY H H 1 7.912 0.008 A 56 GLY HAy H 1 3.870 0.018 A 56 GLY HAx H 1 3.416 0.011 A 56 GLY C C 13 173.984 0.032 A 56 GLY CA C 13 45.829 0.078 A 56 GLY N N 15 106.826 0.062 A 57 PHE H H 1 7.939 0.008 A 57 PHE HA H 1 4.838 0.005 A 57 PHE HBy H 1 3.213 0.008 A 57 PHE HBx H 1 3.013 0.010 A 57 PHE HDx H 1 7.054 0.019 A 57 PHE HDy H 1 7.054 0.019 A 57 PHE HEx H 1 7.148 0.007 A 57 PHE HEy H 1 7.148 0.007 A 57 PHE C C 13 175.740 0.011 A 57 PHE CA C 13 56.629 0.050 A 57 PHE CB C 13 40.623 0.047 A 57 PHE N N 15 119.650 0.043 A 58 THR H H 1 8.901 0.024 A 58 THR HA H 1 4.755 0.011 A 58 THR HB H 1 3.900 0.014 A 58 THR HG2% H 1 0.899 0.012 A 58 THR C C 13 173.373 0.015 A 58 THR CA C 13 63.633 0.037 A 58 THR CB C 13 69.899 0.026 A 58 THR CG2 C 13 21.616 0.000 A 58 THR N N 15 121.614 0.041 A 59 TYR H H 1 8.230 0.009 A 59 TYR HA H 1 4.705 0.007 A 59 TYR HBx H 1 2.275 0.015 A 59 TYR HBy H 1 2.275 0.015 A 59 TYR HDx H 1 6.663 0.012 A 59 TYR HDy H 1 6.663 0.012 A 59 TYR HEx H 1 6.346 0.010 A 59 TYR HEy H 1 6.346 0.010 A 59 TYR C C 13 171.481 0.022 A 59 TYR CA C 13 55.166 0.046 A 59 TYR CB C 13 39.900 0.044 A 59 TYR N N 15 123.720 0.037 A 60 TYR H H 1 8.795 0.008 A 60 TYR HA H 1 5.059 0.011 A 60 TYR HBy H 1 2.674 0.013 A 60 TYR HBx H 1 2.405 0.012 A 60 TYR HDx H 1 6.608 0.008 A 60 TYR HDy H 1 6.608 0.008 A 60 TYR HEx H 1 6.584 0.005 A 60 TYR HEy H 1 6.584 0.005 A 60 TYR C C 13 174.353 0.013 A 60 TYR CA C 13 56.517 0.013 A 60 TYR CB C 13 41.571 0.052 A 60 TYR N N 15 117.723 0.040 A 61 TYR H H 1 9.409 0.012 A 61 TYR HA H 1 5.500 0.013 A 61 TYR HBx H 1 2.755 0.013 A 61 TYR HBy H 1 2.755 0.013 A 61 TYR HDx H 1 6.724 0.009 A 61 TYR HDy H 1 6.724 0.009 A 61 TYR HEx H 1 6.505 0.007 A 61 TYR HEy H 1 6.505 0.007 A 61 TYR C C 13 173.168 0.010 A 61 TYR CA C 13 56.036 0.151 A 61 TYR CB C 13 41.934 0.108 A 61 TYR N N 15 123.770 0.062 A 62 ASN H H 1 8.245 0.008 A 62 ASN HA H 1 4.018 0.018 A 62 ASN HBx H 1 2.267 0.014 A 62 ASN HBy H 1 2.267 0.014 A 62 ASN HD2y H 1 7.353 0.004 A 62 ASN HD2x H 1 6.769 0.005 A 62 ASN C C 13 175.734 0.011 A 62 ASN CA C 13 51.435 0.079 A 62 ASN CB C 13 38.148 0.091 A 62 ASN N N 15 126.815 0.035 A 62 ASN ND2 N 15 116.618 0.027 A 63 THR H H 1 8.427 0.012 A 63 THR HA H 1 3.730 0.012 A 63 THR HB H 1 4.196 0.010 A 63 THR HG2% H 1 1.239 0.010 A 63 THR C C 13 175.666 0.000 A 63 THR CA C 13 63.931 0.075 A 63 THR CB C 13 68.856 0.050 A 63 THR CG2 C 13 22.325 0.000 A 63 THR N N 15 116.655 0.067 A 64 GLU H H 1 8.308 0.009 A 64 GLU HA H 1 4.188 0.011 A 64 GLU HBy H 1 1.929 0.010 A 64 GLU HBx H 1 1.705 0.011 A 64 GLU HGy H 1 2.092 0.014 A 64 GLU HGx H 1 1.961 0.014 A 64 GLU C C 13 178.138 0.016 A 64 GLU CA C 13 57.942 0.136 A 64 GLU CB C 13 30.455 0.049 A 64 GLU CG C 13 36.595 0.000 A 64 GLU N N 15 121.130 0.057 A 65 THR H H 1 7.584 0.008 A 65 THR HA H 1 4.192 0.011 A 65 THR HB H 1 4.162 0.008 A 65 THR HG2% H 1 0.915 0.013 A 65 THR C C 13 176.746 0.018 A 65 THR CA C 13 61.303 0.082 A 65 THR CB C 13 70.384 0.058 A 65 THR CG2 C 13 20.663 0.000 A 65 THR N N 15 107.858 0.028 A 66 GLY H H 1 8.227 0.009 A 66 GLY HAy H 1 4.008 0.015 A 66 GLY HAx H 1 3.548 0.012 A 66 GLY C C 13 173.631 0.007 A 66 GLY CA C 13 45.120 0.112 A 66 GLY N N 15 111.846 0.042 A 67 GLU H H 1 7.405 0.007 A 67 GLU HA H 1 4.138 0.013 A 67 GLU HBx H 1 1.795 0.012 A 67 GLU HBy H 1 1.795 0.012 A 67 GLU HGy H 1 2.285 0.009 A 67 GLU HGx H 1 2.130 0.013 A 67 GLU C C 13 174.652 0.010 A 67 GLU CA C 13 56.638 0.048 A 67 GLU CB C 13 31.372 0.080 A 67 GLU CG C 13 36.818 0.000 A 67 GLU N N 15 121.084 0.039 A 68 SER H H 1 8.427 0.011 A 68 SER HA H 1 5.794 0.017 A 68 SER HBx H 1 3.570 0.013 A 68 SER HBy H 1 3.570 0.013 A 68 SER C C 13 174.589 0.810 A 68 SER CA C 13 56.966 0.024 A 68 SER CB C 13 65.791 0.059 A 68 SER N N 15 117.110 0.097 A 69 ARG H H 1 9.463 0.013 A 69 ARG HA H 1 4.689 0.009 A 69 ARG HBy H 1 1.948 0.008 A 69 ARG HBx H 1 1.597 0.011 A 69 ARG HDx H 1 2.707 0.012 A 69 ARG HDy H 1 2.707 0.012 A 69 ARG HE H 1 6.986 0.000 A 69 ARG HGy H 1 1.607 0.007 A 69 ARG HGx H 1 1.488 0.009 A 69 ARG C C 13 175.200 0.041 A 69 ARG CA C 13 54.554 0.061 A 69 ARG CB C 13 35.097 0.073 A 69 ARG CD C 13 43.833 0.086 A 69 ARG CG C 13 26.998 0.151 A 69 ARG N N 15 121.771 0.057 A 69 ARG NE N 15 116.302 0.010 A 70 TRP H H 1 8.674 0.008 A 70 TRP HA H 1 4.931 0.008 A 70 TRP HBy H 1 3.485 0.014 A 70 TRP HBx H 1 3.000 0.008 A 70 TRP HD1 H 1 7.230 0.008 A 70 TRP HE1 H 1 9.958 0.003 A 70 TRP HE3 H 1 7.838 0.020 A 70 TRP HH2 H 1 7.007 0.005 A 70 TRP HZ2 H 1 7.214 0.010 A 70 TRP HZ3 H 1 6.958 0.007 A 70 TRP C C 13 175.866 0.053 A 70 TRP CA C 13 57.750 0.062 A 70 TRP CB C 13 30.143 0.046 A 70 TRP N N 15 120.708 0.045 A 70 TRP NE1 N 15 128.745 0.005 A 71 GLU H H 1 7.639 0.015 A 71 GLU HA H 1 4.417 0.012 A 71 GLU HBy H 1 1.829 0.014 A 71 GLU HBx H 1 1.725 0.010 A 71 GLU HGy H 1 2.285 0.002 A 71 GLU HGx H 1 2.086 0.010 A 71 GLU C C 13 175.089 0.008 A 71 GLU CA C 13 55.054 0.053 A 71 GLU CB C 13 31.310 0.049 A 71 GLU CG C 13 35.950 0.000 A 71 GLU N N 15 118.276 0.074 A 72 LYS H H 1 8.344 0.006 A 72 LYS HA H 1 4.426 0.000 A 72 LYS HBx H 1 1.306 0.005 A 72 LYS HBy H 1 1.306 0.005 A 72 LYS HDx H 1 1.184 0.000 A 72 LYS HDy H 1 1.184 0.000 A 72 LYS HEx H 1 2.992 0.000 A 72 LYS HEy H 1 2.992 0.000 A 72 LYS HGx H 1 0.979 0.000 A 72 LYS HGy H 1 0.979 0.000 A 72 LYS C C 13 174.843 0.000 A 72 LYS CA C 13 54.719 0.000 A 72 LYS CB C 13 32.257 0.000 A 72 LYS N N 15 125.003 0.068 A 73 PRO HA H 1 3.895 0.019 A 73 PRO HBy H 1 1.279 0.018 A 73 PRO HBx H 1 1.144 0.018 A 73 PRO HGy H 1 0.571 0.000 A 73 PRO HGx H 1 0.311 0.025 A 73 PRO C C 13 176.392 0.007 A 73 PRO CA C 13 62.347 0.024 A 73 PRO CB C 13 31.554 0.021 A 73 PRO CD C 13 50.557 0.000 A 73 PRO CG C 13 26.159 0.000 A 74 ASP H H 1 8.268 0.009 A 74 ASP HA H 1 4.220 0.017 A 74 ASP HBx H 1 2.461 0.013 A 74 ASP HBy H 1 2.461 0.013 A 74 ASP C C 13 176.376 0.000 A 74 ASP CA C 13 54.929 0.083 A 74 ASP CB C 13 40.898 0.107 A 74 ASP N N 15 121.329 0.096 A 75 ASP H H 1 8.195 0.010 A 75 ASP HA H 1 4.401 0.014 A 75 ASP HBy H 1 2.561 0.015 A 75 ASP HBx H 1 2.516 0.015 A 75 ASP C C 13 176.398 0.000 A 75 ASP CA C 13 54.355 0.137 A 75 ASP CB C 13 40.825 0.108 A 75 ASP N N 15 118.636 0.054 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 PRO HA A 3 SER H 1.0 1.8 3.0 2 2 A 3 SER H A 2 PRO HBx 1.0 1.8 4.5 3 2 A 3 SER H A 2 PRO HBy 1.0 1.8 4.5 4 3 A 3 SER H A 2 PRO HBx 1.0 1.8 5.0 5 4 A 3 SER H A 2 PRO HBy 1.0 1.8 5.0 6 5 A 3 SER H A 3 SER HA 1.0 1.8 3.5 7 6 A 3 SER HA A 4 LYS H 1.0 1.8 3.5 8 7 A 3 SER H A 3 SER HBx 1.0 1.8 3.5 9 8 A 3 SER H A 3 SER HBy 1.0 1.8 3.5 10 9 A 4 LYS H A 3 SER HBy 1.0 1.8 5.0 11 9 A 4 LYS H A 3 SER HBx 1.0 1.8 5.0 12 10 A 3 SER H A 4 LYS H 1.0 1.8 4.5 13 11 A 4 LYS H A 4 LYS HA 1.0 1.8 3.0 14 12 A 4 LYS HA A 5 GLY H 1.0 1.8 3.0 15 13 A 4 LYS H A 4 LYS HBx 1.0 1.8 3.5 16 13 A 4 LYS H A 4 LYS HBy 1.0 1.8 3.5 17 14 A 4 LYS H A 4 LYS HBx 1.0 1.8 4.0 18 15 A 4 LYS H A 4 LYS HBy 1.0 1.8 4.0 19 16 A 5 GLY H A 4 LYS HBx 1.0 1.8 4.5 20 16 A 5 GLY H A 4 LYS HBy 1.0 1.8 4.5 21 17 A 5 GLY H A 4 LYS HBx 1.0 1.8 5.0 22 18 A 5 GLY H A 4 LYS HBy 1.0 1.8 5.0 23 19 A 4 LYS H A 4 LYS HGx 1.0 1.8 5.0 24 20 A 4 LYS H A 4 LYS HGy 1.0 1.8 5.0 25 21 A 5 GLY H A 4 LYS HGx 1.0 1.8 5.0 26 21 A 5 GLY H A 4 LYS HGy 1.0 1.8 5.0 27 22 A 5 GLY H A 4 LYS HGx 1.0 1.8 6.0 28 23 A 5 GLY H A 4 LYS HGy 1.0 1.8 6.0 29 24 A 4 LYS H A 4 LYS HEx 1.0 1.8 7.0 30 24 A 4 LYS H A 4 LYS HEy 1.0 1.8 7.0 31 25 A 4 LYS H A 5 GLY H 1.0 1.8 5.0 32 26 A 5 GLY H A 5 GLY HAy 1.0 1.8 3.0 33 26 A 5 GLY H A 5 GLY HAx 1.0 1.8 3.0 34 27 A 5 GLY H A 5 GLY HAx 1.0 1.8 3.5 35 28 A 5 GLY H A 5 GLY HAy 1.0 1.8 3.5 36 29 A 6 ARG H A 5 GLY HAy 1.0 1.8 3.0 37 29 A 5 GLY HAx A 6 ARG H 1.0 1.8 3.0 38 30 A 5 GLY HAx A 6 ARG H 1.0 1.8 3.5 39 31 A 6 ARG H A 5 GLY HAy 1.0 1.8 3.5 40 32 A 7 TRP H A 5 GLY HAy 1.0 1.8 5.5 41 32 A 5 GLY HAx A 7 TRP H 1.0 1.8 5.5 42 33 A 5 GLY HAx A 7 TRP H 1.0 1.8 6.0 43 34 A 7 TRP H A 5 GLY HAy 1.0 1.8 6.0 44 35 A 5 GLY HAx A 7 TRP HD1 1.0 1.8 5.0 45 36 A 7 TRP HD1 A 5 GLY HAy 1.0 1.8 5.0 46 37 A 5 GLY HAx A 7 TRP HE1 1.0 1.8 5.5 47 38 A 7 TRP HE1 A 5 GLY HAy 1.0 1.8 5.5 48 39 A 5 GLY H A 6 ARG H 1.0 1.8 5.5 49 40 A 5 GLY H A 7 TRP HD1 1.0 1.8 6.0 50 41 A 5 GLY H A 7 TRP HE1 1.0 1.8 5.5 51 42 A 6 ARG H A 6 ARG HA 1.0 1.8 3.5 52 43 A 6 ARG HA A 6 ARG HGx 1.0 1.8 4.0 53 43 A 6 ARG HA A 6 ARG HGy 1.0 1.8 4.0 54 44 A 6 ARG HA A 6 ARG HDx 1.0 1.8 4.5 55 44 A 6 ARG HA A 6 ARG HDy 1.0 1.8 4.5 56 45 A 7 TRP HD1 A 6 ARG HA 1.0 1.8 5.5 57 46 A 7 TRP H A 6 ARG HA 1.0 1.8 3.0 58 47 A 6 ARG HA A 22 LEU H 1.0 1.8 6.5 59 48 A 6 ARG H A 6 ARG HBx 1.0 1.8 4.0 60 48 A 6 ARG H A 6 ARG HBy 1.0 1.8 4.0 61 49 A 6 ARG H A 6 ARG HGx 1.0 1.8 3.5 62 49 A 6 ARG H A 6 ARG HGy 1.0 1.8 3.5 63 50 A 6 ARG H A 6 ARG HDx 1.0 1.8 5.5 64 50 A 6 ARG H A 6 ARG HDy 1.0 1.8 5.5 65 51 A 7 TRP H A 6 ARG HBx 1.0 1.8 5.0 66 51 A 7 TRP H A 6 ARG HBy 1.0 1.8 5.0 67 52 A 22 LEU H A 6 ARG HBx 1.0 1.8 4.0 68 52 A 22 LEU H A 6 ARG HBy 1.0 1.8 4.0 69 53 A 23 ILE H A 6 ARG HBx 1.0 1.8 3.5 70 53 A 6 ARG HBy A 23 ILE H 1.0 1.8 3.5 71 54 A 23 ILE H A 6 ARG HGx 1.0 1.8 5.0 72 54 A 6 ARG HGy A 23 ILE H 1.0 1.8 5.0 73 55 A 6 ARG H A 7 TRP HA 1.0 1.8 6.0 74 56 A 6 ARG H A 7 TRP HD1 1.0 1.8 5.5 75 57 A 6 ARG H A 7 TRP HE1 1.0 1.8 7.0 76 58 A 6 ARG H A 7 TRP H 1.0 1.8 4.5 77 59 A 6 ARG H A 22 LEU H 1.0 1.8 6.5 78 60 A 6 ARG H A 23 ILE H 1.0 1.8 6.5 79 61 A 6 ARG H A 23 ILE HG1x 1.0 1.8 4.5 80 61 A 6 ARG H A 23 ILE HG1y 1.0 1.8 4.5 81 62 A 6 ARG H A 23 ILE HD1% 1.0 1.8 4.0 82 63 A 7 TRP HD1 A 7 TRP HA 1.0 1.8 4.5 83 64 A 7 TRP HA A 7 TRP HE3 1.0 1.8 4.0 84 65 A 7 TRP H A 7 TRP HA 1.0 1.8 3.5 85 66 A 7 TRP HA A 8 VAL H 1.0 1.8 3.0 86 67 A 7 TRP HA A 20 TYR HD% 1.0 1.8 5.5 87 68 A 7 TRP HA A 20 TYR H 1.0 1.8 5.5 88 69 A 7 TRP HA A 21 ASP HA 1.0 1.8 3.0 89 70 A 7 TRP HA A 21 ASP H 1.0 1.8 5.5 90 71 A 7 TRP HA A 22 LEU HDx% 1.0 1.8 4.0 91 71 A 7 TRP HA A 22 LEU HDy% 1.0 1.8 4.0 92 72 A 22 LEU H A 7 TRP HA 1.0 1.8 4.5 93 73 A 7 TRP HA A 35 PHE HD% 1.0 1.8 6.5 94 74 A 7 TRP HA A 35 PHE HE% 1.0 1.8 5.5 95 75 A 7 TRP HD1 A 7 TRP HBx 1.0 1.8 3.0 96 75 A 7 TRP HD1 A 7 TRP HBy 1.0 1.8 3.0 97 76 A 7 TRP HD1 A 7 TRP HBx 1.0 1.8 4.0 98 77 A 7 TRP HD1 A 7 TRP HBy 1.0 1.8 4.0 99 78 A 7 TRP HE3 A 7 TRP HBx 1.0 1.8 3.0 100 78 A 7 TRP HE3 A 7 TRP HBy 1.0 1.8 3.0 101 79 A 7 TRP HE3 A 7 TRP HBx 1.0 1.8 4.5 102 80 A 7 TRP HE3 A 7 TRP HBy 1.0 1.8 4.5 103 81 A 7 TRP H A 7 TRP HBx 1.0 1.8 3.0 104 81 A 7 TRP H A 7 TRP HBy 1.0 1.8 3.0 105 82 A 7 TRP H A 7 TRP HBx 1.0 1.8 4.0 106 83 A 7 TRP H A 7 TRP HBy 1.0 1.8 4.0 107 84 A 8 VAL H A 7 TRP HBx 1.0 1.8 3.5 108 84 A 8 VAL H A 7 TRP HBy 1.0 1.8 3.5 109 85 A 8 VAL H A 7 TRP HBx 1.0 1.8 4.5 110 86 A 8 VAL H A 7 TRP HBy 1.0 1.8 4.5 111 87 A 7 TRP HBy A 19 TYR HBx 1.0 1.8 3.5 112 87 A 7 TRP HBx A 19 TYR HBx 1.0 1.8 3.5 113 87 A 19 TYR HBy A 7 TRP HBx 1.0 1.8 3.5 114 87 A 7 TRP HBy A 19 TYR HBy 1.0 1.8 3.5 115 88 A 35 PHE HD% A 7 TRP HBx 1.0 1.8 3.0 116 88 A 35 PHE HD% A 7 TRP HBy 1.0 1.8 3.0 117 89 A 35 PHE HD% A 7 TRP HBx 1.0 1.8 4.5 118 90 A 35 PHE HD% A 7 TRP HBy 1.0 1.8 4.5 119 91 A 35 PHE HE% A 7 TRP HBx 1.0 1.8 4.0 120 91 A 35 PHE HE% A 7 TRP HBy 1.0 1.8 4.0 121 92 A 35 PHE HE% A 7 TRP HBx 1.0 1.8 4.5 122 93 A 35 PHE HE% A 7 TRP HBy 1.0 1.8 4.5 123 94 A 7 TRP H A 7 TRP HD1 1.0 1.8 3.5 124 95 A 7 TRP HD1 A 35 PHE HA 1.0 1.8 5.5 125 96 A 7 TRP H A 7 TRP HE1 1.0 1.8 6.5 126 97 A 7 TRP HE1 A 23 ILE HD1% 1.0 1.8 5.5 127 98 A 7 TRP H A 7 TRP HE3 1.0 1.8 6.5 128 99 A 7 TRP HE3 A 8 VAL H 1.0 1.8 4.5 129 100 A 7 TRP HE3 A 19 TYR HA 1.0 1.8 5.5 130 101 A 7 TRP HE3 A 19 TYR HBx 1.0 1.8 3.5 131 102 A 7 TRP HE3 A 19 TYR HBy 1.0 1.8 3.5 132 103 A 7 TRP HE3 A 19 TYR HD% 1.0 1.8 6.0 133 104 A 7 TRP HE3 A 20 TYR H 1.0 1.8 4.5 134 105 A 7 TRP HE3 A 20 TYR HA 1.0 1.8 4.5 135 106 A 20 TYR HA A 7 TRP HZ3 1.0 1.8 4.0 136 107 A 20 TYR HA A 7 TRP HH2 1.0 1.8 6.5 137 108 A 7 TRP HE3 A 21 ASP HA 1.0 1.8 4.5 138 109 A 21 ASP HA A 7 TRP HZ3 1.0 1.8 5.5 139 110 A 7 TRP HE3 A 21 ASP H 1.0 1.8 4.5 140 111 A 21 ASP H A 7 TRP HZ3 1.0 1.8 4.0 141 112 A 21 ASP H A 7 TRP HH2 1.0 1.8 5.5 142 113 A 7 TRP HE3 A 27 SER HA 1.0 1.8 6.0 143 114 A 7 TRP HZ3 A 27 SER HA 1.0 1.8 4.5 144 115 A 7 TRP HH2 A 27 SER HA 1.0 1.8 6.5 145 116 A 7 TRP HE3 A 28 GLN HBy 1.0 1.8 5.5 146 116 A 7 TRP HE3 A 28 GLN HBx 1.0 1.8 5.5 147 117 A 7 TRP HZ3 A 28 GLN HBy 1.0 1.8 3.5 148 117 A 7 TRP HZ3 A 28 GLN HBx 1.0 1.8 3.5 149 118 A 7 TRP HZ3 A 28 GLN HBx 1.0 1.8 4.5 150 119 A 7 TRP HZ3 A 28 GLN HBy 1.0 1.8 4.5 151 120 A 7 TRP HE3 A 28 GLN H 1.0 1.8 5.5 152 121 A 7 TRP HZ3 A 28 GLN H 1.0 1.8 4.5 153 122 A 7 TRP HH2 A 28 GLN HBy 1.0 1.8 4.5 154 122 A 7 TRP HH2 A 28 GLN HBx 1.0 1.8 4.5 155 123 A 7 TRP H A 8 VAL HG21 1.0 1.8 6.0 156 123 A 7 TRP H A 8 VAL HG11 1.0 1.8 6.0 157 124 A 7 TRP H A 8 VAL H 1.0 1.8 4.8 158 125 A 7 TRP H A 22 LEU HDx% 1.0 1.8 5.5 159 125 A 7 TRP H A 22 LEU HDy% 1.0 1.8 5.5 160 126 A 7 TRP H A 22 LEU H 1.0 1.8 6.5 161 127 A 7 TRP H A 35 PHE HD% 1.0 1.8 4.5 162 128 A 7 TRP H A 35 PHE HE% 1.0 1.8 5.0 163 129 A 8 VAL HA A 8 VAL HB 1.0 1.8 3.0 164 130 A 8 VAL HA A 8 VAL HG21 1.0 1.8 3.0 165 130 A 8 VAL HG11 A 8 VAL HA 1.0 1.8 3.0 166 131 A 8 VAL HG11 A 8 VAL HA 1.0 1.8 4.5 167 132 A 8 VAL HA A 8 VAL HG21 1.0 1.8 4.5 168 133 A 8 VAL H A 8 VAL HA 1.0 1.8 3.5 169 134 A 8 VAL HA A 9 GLU H 1.0 1.8 3.0 170 135 A 35 PHE HD% A 8 VAL HA 1.0 1.8 6.0 171 136 A 35 PHE HE% A 8 VAL HA 1.0 1.8 3.5 172 137 A 8 VAL HA A 35 PHE HZ 1.0 1.8 4.5 173 138 A 8 VAL H A 8 VAL HB 1.0 1.8 3.0 174 139 A 8 VAL HB A 9 GLU H 1.0 1.8 5.0 175 140 A 8 VAL H A 8 VAL HG21 1.0 1.8 3.0 176 140 A 8 VAL H A 8 VAL HG11 1.0 1.8 3.0 177 141 A 8 VAL H A 8 VAL HG11 1.0 1.8 5.0 178 142 A 8 VAL H A 8 VAL HG21 1.0 1.8 5.0 179 143 A 9 GLU H A 8 VAL HG21 1.0 1.8 4.0 180 143 A 8 VAL HG11 A 9 GLU H 1.0 1.8 4.0 181 144 A 8 VAL HG11 A 9 GLU H 1.0 1.8 5.5 182 145 A 9 GLU H A 8 VAL HG21 1.0 1.8 5.5 183 146 A 8 VAL HG21 A 20 TYR HBx 1.0 1.8 3.0 184 146 A 8 VAL HG11 A 20 TYR HBx 1.0 1.8 3.0 185 146 A 20 TYR HBy A 8 VAL HG21 1.0 1.8 3.0 186 146 A 8 VAL HG11 A 20 TYR HBy 1.0 1.8 3.0 187 147 A 20 TYR HD% A 8 VAL HG21 1.0 1.8 3.5 188 147 A 20 TYR HD% A 8 VAL HG11 1.0 1.8 3.5 189 148 A 20 TYR HE% A 8 VAL HG21 1.0 1.8 5.5 190 148 A 8 VAL HG11 A 20 TYR HE% 1.0 1.8 5.5 191 149 A 20 TYR H A 8 VAL HG21 1.0 1.8 3.5 192 149 A 20 TYR H A 8 VAL HG11 1.0 1.8 3.5 193 150 A 8 VAL HG11 A 22 LEU HDx% 1.0 1.8 5.0 194 150 A 8 VAL HG21 A 22 LEU HDx% 1.0 1.8 5.0 195 150 A 22 LEU HDy% A 8 VAL HG21 1.0 1.8 5.0 196 150 A 22 LEU HDy% A 8 VAL HG11 1.0 1.8 5.0 197 151 A 8 VAL H A 9 GLU H 1.0 1.8 4.8 198 152 A 8 VAL H A 19 TYR HBx 1.0 1.8 4.0 199 152 A 8 VAL H A 19 TYR HBy 1.0 1.8 4.0 200 153 A 8 VAL H A 20 TYR HD% 1.0 1.8 4.5 201 154 A 8 VAL H A 20 TYR H 1.0 1.8 3.5 202 155 A 8 VAL H A 21 ASP HA 1.0 1.8 4.5 203 156 A 8 VAL H A 22 LEU HDx% 1.0 1.8 5.5 204 156 A 8 VAL H A 22 LEU HDy% 1.0 1.8 5.5 205 157 A 8 VAL H A 35 PHE HE% 1.0 1.8 4.5 206 158 A 9 GLU HA A 9 GLU HGx 1.0 1.8 3.0 207 158 A 9 GLU HA A 9 GLU HGy 1.0 1.8 3.0 208 159 A 9 GLU H A 9 GLU HA 1.0 1.8 3.5 209 160 A 9 GLU HA A 10 GLY H 1.0 1.8 3.0 210 161 A 9 GLU HA A 18 TYR H 1.0 1.8 5.5 211 162 A 19 TYR HA A 9 GLU HA 1.0 1.8 3.0 212 163 A 19 TYR HD% A 9 GLU HA 1.0 1.8 3.0 213 164 A 9 GLU HA A 19 TYR HE% 1.0 1.8 4.5 214 165 A 9 GLU HA A 19 TYR H 1.0 1.8 5.5 215 166 A 20 TYR H A 9 GLU HA 1.0 1.8 4.5 216 167 A 35 PHE HE% A 9 GLU HA 1.0 1.8 5.5 217 168 A 35 PHE HZ A 9 GLU HA 1.0 1.8 4.5 218 169 A 9 GLU H A 9 GLU HBx 1.0 1.8 3.0 219 169 A 9 GLU H A 9 GLU HBy 1.0 1.8 3.0 220 170 A 9 GLU H A 9 GLU HBx 1.0 1.8 3.5 221 171 A 9 GLU H A 9 GLU HBy 1.0 1.8 3.5 222 172 A 10 GLY H A 9 GLU HBx 1.0 1.8 5.0 223 173 A 10 GLY H A 9 GLU HBy 1.0 1.8 5.0 224 174 A 19 TYR HD% A 9 GLU HBx 1.0 1.8 3.5 225 174 A 19 TYR HD% A 9 GLU HBy 1.0 1.8 3.5 226 175 A 19 TYR HD% A 9 GLU HBx 1.0 1.8 4.5 227 176 A 19 TYR HD% A 9 GLU HBy 1.0 1.8 4.5 228 177 A 19 TYR HE% A 9 GLU HBx 1.0 1.8 3.0 229 177 A 19 TYR HE% A 9 GLU HBy 1.0 1.8 3.0 230 178 A 19 TYR HE% A 9 GLU HBx 1.0 1.8 4.5 231 179 A 19 TYR HE% A 9 GLU HBy 1.0 1.8 4.5 232 180 A 35 PHE HE% A 9 GLU HBx 1.0 1.8 3.5 233 180 A 35 PHE HE% A 9 GLU HBy 1.0 1.8 3.5 234 181 A 35 PHE HZ A 9 GLU HBx 1.0 1.8 3.0 235 181 A 35 PHE HZ A 9 GLU HBy 1.0 1.8 3.0 236 182 A 9 GLU H A 9 GLU HGx 1.0 1.8 5.0 237 182 A 9 GLU H A 9 GLU HGy 1.0 1.8 5.0 238 183 A 9 GLU HGx A 10 GLY HAy 1.0 1.8 5.5 239 183 A 10 GLY HAx A 9 GLU HGx 1.0 1.8 5.5 240 183 A 9 GLU HGy A 10 GLY HAx 1.0 1.8 5.5 241 183 A 9 GLU HGy A 10 GLY HAy 1.0 1.8 5.5 242 184 A 9 GLU HGx A 17 HIS HBx 1.0 1.8 4.5 243 184 A 9 GLU HGy A 17 HIS HBx 1.0 1.8 4.5 244 184 A 17 HIS HBy A 9 GLU HGx 1.0 1.8 4.5 245 184 A 9 GLU HGy A 17 HIS HBy 1.0 1.8 4.5 246 185 A 9 GLU HGx A 17 HIS HBx 1.0 1.8 6.0 247 185 A 9 GLU HGy A 17 HIS HBx 1.0 1.8 6.0 248 186 A 17 HIS HBy A 9 GLU HGx 1.0 1.8 6.0 249 186 A 9 GLU HGy A 17 HIS HBy 1.0 1.8 6.0 250 187 A 9 GLU H A 10 GLY H 1.0 1.8 4.8 251 188 A 19 TYR HA A 9 GLU H 1.0 1.8 5.5 252 189 A 19 TYR HD% A 9 GLU H 1.0 1.8 4.5 253 190 A 9 GLU H A 19 TYR HE% 1.0 1.8 6.0 254 191 A 20 TYR H A 9 GLU H 1.0 1.8 6.0 255 192 A 35 PHE HE% A 9 GLU H 1.0 1.8 4.5 256 193 A 9 GLU H A 35 PHE HZ 1.0 1.8 3.0 257 194 A 10 GLY H A 10 GLY HAy 1.0 1.8 3.0 258 194 A 10 GLY H A 10 GLY HAx 1.0 1.8 3.0 259 195 A 10 GLY H A 10 GLY HAx 1.0 1.8 3.5 260 196 A 10 GLY H A 10 GLY HAy 1.0 1.8 3.5 261 197 A 11 ILE H A 10 GLY HAy 1.0 1.8 3.0 262 197 A 10 GLY HAx A 11 ILE H 1.0 1.8 3.0 263 198 A 10 GLY HAx A 11 ILE H 1.0 1.8 3.5 264 199 A 11 ILE H A 10 GLY HAy 1.0 1.8 3.5 265 200 A 18 TYR HD% A 10 GLY HAy 1.0 1.8 5.5 266 200 A 10 GLY HAx A 18 TYR HD% 1.0 1.8 5.5 267 201 A 10 GLY HAx A 18 TYR HD% 1.0 1.8 6.5 268 202 A 18 TYR HD% A 10 GLY HAy 1.0 1.8 6.5 269 203 A 18 TYR HE% A 10 GLY HAy 1.0 1.8 4.5 270 203 A 10 GLY HAx A 18 TYR HE% 1.0 1.8 4.5 271 204 A 10 GLY HAx A 18 TYR HE% 1.0 1.8 6.0 272 205 A 18 TYR HE% A 10 GLY HAy 1.0 1.8 6.0 273 206 A 18 TYR H A 10 GLY HAy 1.0 1.8 5.5 274 206 A 18 TYR H A 10 GLY HAx 1.0 1.8 5.5 275 207 A 18 TYR H A 10 GLY HAx 1.0 1.8 6.0 276 208 A 18 TYR H A 10 GLY HAy 1.0 1.8 6.0 277 209 A 10 GLY H A 11 ILE H 1.0 1.8 4.8 278 210 A 10 GLY H A 17 HIS HA 1.0 1.8 5.5 279 211 A 10 GLY H A 18 TYR HD% 1.0 1.8 5.0 280 212 A 10 GLY H A 18 TYR HE% 1.0 1.8 5.5 281 213 A 10 GLY H A 18 TYR H 1.0 1.8 3.5 282 214 A 19 TYR HA A 10 GLY H 1.0 1.8 4.5 283 215 A 19 TYR HD% A 10 GLY H 1.0 1.8 5.0 284 216 A 10 GLY H A 19 TYR HE% 1.0 1.8 6.5 285 217 A 10 GLY H A 19 TYR H 1.0 1.8 5.5 286 218 A 20 TYR H A 10 GLY H 1.0 1.8 5.5 287 219 A 11 ILE HA A 11 ILE HB 1.0 1.8 3.5 288 220 A 11 ILE HA A 11 ILE HG1y 1.0 1.8 3.5 289 220 A 11 ILE HA A 11 ILE HG1x 1.0 1.8 3.5 290 221 A 11 ILE HA A 11 ILE HG1x 1.0 1.8 4.0 291 222 A 11 ILE HA A 11 ILE HG1y 1.0 1.8 4.0 292 223 A 11 ILE HA A 11 ILE HG21 1.0 1.8 3.0 293 224 A 11 ILE HA A 11 ILE HD11 1.0 1.8 3.0 294 225 A 11 ILE H A 11 ILE HA 1.0 1.8 3.5 295 226 A 11 ILE HA A 12 THR H 1.0 1.8 3.0 296 227 A 17 HIS HA A 11 ILE HA 1.0 1.8 3.0 297 228 A 11 ILE HA A 17 HIS HD2 1.0 1.8 5.5 298 229 A 18 TYR HD% A 11 ILE HA 1.0 1.8 4.5 299 230 A 18 TYR HE% A 11 ILE HA 1.0 1.8 4.5 300 231 A 18 TYR H A 11 ILE HA 1.0 1.8 4.0 301 232 A 11 ILE H A 11 ILE HB 1.0 1.8 3.5 302 233 A 11 ILE HB A 12 THR HA 1.0 1.8 6.0 303 234 A 11 ILE HB A 12 THR H 1.0 1.8 5.0 304 235 A 11 ILE HB A 16 TYR H 1.0 1.8 7.0 305 236 A 18 TYR H A 11 ILE HB 1.0 1.8 7.0 306 237 A 11 ILE H A 11 ILE HG1y 1.0 1.8 4.0 307 237 A 11 ILE H A 11 ILE HG1x 1.0 1.8 4.0 308 238 A 11 ILE H A 11 ILE HG1x 1.0 1.8 5.5 309 239 A 11 ILE H A 11 ILE HG1y 1.0 1.8 5.5 310 240 A 11 ILE H A 11 ILE HG21 1.0 1.8 5.5 311 241 A 11 ILE HG1x A 12 THR H 1.0 1.8 6.0 312 242 A 12 THR H A 11 ILE HG1y 1.0 1.8 6.0 313 243 A 11 ILE HG21 A 12 THR H 1.0 1.8 3.0 314 244 A 11 ILE HG21 A 15 GLY HAy 1.0 1.8 3.5 315 244 A 11 ILE HG21 A 15 GLY HAx 1.0 1.8 3.5 316 245 A 11 ILE HG21 A 15 GLY HAx 1.0 1.8 5.0 317 246 A 11 ILE HG21 A 15 GLY HAy 1.0 1.8 5.0 318 247 A 11 ILE HG21 A 15 GLY H 1.0 1.8 5.0 319 248 A 11 ILE HG21 A 16 TYR H 1.0 1.8 4.5 320 249 A 11 ILE H A 11 ILE HD11 1.0 1.8 5.5 321 250 A 11 ILE HD11 A 12 THR H 1.0 1.8 5.0 322 251 A 11 ILE HD11 A 15 GLY HAy 1.0 1.8 6.0 323 251 A 11 ILE HD11 A 15 GLY HAx 1.0 1.8 6.0 324 252 A 11 ILE HD11 A 16 TYR H 1.0 1.8 6.0 325 253 A 17 HIS HA A 11 ILE HD11 1.0 1.8 3.5 326 254 A 11 ILE HD11 A 17 HIS HD2 1.0 1.8 3.5 327 255 A 18 TYR H A 11 ILE HD11 1.0 1.8 5.0 328 256 A 11 ILE H A 17 HIS HA 1.0 1.8 6.0 329 257 A 11 ILE H A 12 THR H 1.0 1.8 4.8 330 258 A 11 ILE H A 18 TYR HD% 1.0 1.8 5.5 331 259 A 11 ILE H A 18 TYR HE% 1.0 1.8 4.5 332 260 A 18 TYR H A 11 ILE H 1.0 1.8 6.0 333 261 A 12 THR HA A 12 THR HB 1.0 1.8 3.0 334 262 A 12 THR HA A 12 THR HG21 1.0 1.8 3.0 335 263 A 12 THR H A 12 THR HA 1.0 1.8 3.5 336 264 A 12 THR HA A 13 SER H 1.0 1.8 3.0 337 265 A 18 TYR HD% A 12 THR HA 1.0 1.8 5.5 338 266 A 18 TYR HE% A 12 THR HA 1.0 1.8 4.5 339 267 A 12 THR H A 12 THR HB 1.0 1.8 4.0 340 268 A 12 THR HB A 13 SER H 1.0 1.8 3.0 341 269 A 12 THR HB A 16 TYR HD% 1.0 1.8 5.5 342 270 A 16 TYR H A 12 THR HB 1.0 1.8 5.5 343 271 A 12 THR HB A 29 TRP HZ3 1.0 1.8 5.5 344 272 A 12 THR HB A 29 TRP HH2 1.0 1.8 4.5 345 273 A 12 THR H A 12 THR HG21 1.0 1.8 4.0 346 274 A 12 THR H A 13 SER H 1.0 1.8 4.8 347 275 A 12 THR H A 15 GLY H 1.0 1.8 4.5 348 276 A 12 THR H A 16 TYR HA 1.0 1.8 5.5 349 277 A 12 THR H A 16 TYR HBx 1.0 1.8 4.5 350 277 A 12 THR H A 16 TYR HBy 1.0 1.8 4.5 351 278 A 12 THR H A 16 TYR HBx 1.0 1.8 5.5 352 279 A 12 THR H A 16 TYR HBy 1.0 1.8 5.5 353 280 A 12 THR H A 16 TYR HD% 1.0 1.8 5.5 354 281 A 12 THR H A 16 TYR H 1.0 1.8 3.0 355 282 A 17 HIS HA A 12 THR H 1.0 1.8 5.0 356 283 A 18 TYR HD% A 12 THR H 1.0 1.8 4.5 357 284 A 18 TYR HE% A 12 THR H 1.0 1.8 4.5 358 285 A 18 TYR H A 12 THR H 1.0 1.8 5.5 359 286 A 13 SER H A 13 SER HA 1.0 1.8 3.0 360 287 A 13 SER HA A 14 GLU H 1.0 1.8 3.0 361 288 A 15 GLY H A 13 SER HA 1.0 1.8 5.0 362 289 A 13 SER H A 13 SER HBx 1.0 1.8 3.0 363 289 A 13 SER H A 13 SER HBy 1.0 1.8 3.0 364 290 A 14 GLU HA A 13 SER HBx 1.0 1.8 6.0 365 290 A 13 SER HBy A 14 GLU HA 1.0 1.8 6.0 366 291 A 13 SER HBy A 14 GLU HBx 1.0 1.8 5.5 367 291 A 13 SER HBx A 14 GLU HBx 1.0 1.8 5.5 368 291 A 14 GLU HBy A 13 SER HBx 1.0 1.8 5.5 369 291 A 13 SER HBy A 14 GLU HBy 1.0 1.8 5.5 370 292 A 14 GLU H A 13 SER HBx 1.0 1.8 4.5 371 292 A 14 GLU H A 13 SER HBy 1.0 1.8 4.5 372 293 A 16 TYR HD% A 13 SER HBx 1.0 1.8 4.5 373 293 A 16 TYR HD% A 13 SER HBy 1.0 1.8 4.5 374 294 A 16 TYR HE% A 13 SER HBx 1.0 1.8 4.5 375 294 A 13 SER HBy A 16 TYR HE% 1.0 1.8 4.5 376 295 A 13 SER H A 14 GLU H 1.0 1.8 5.5 377 296 A 15 GLY H A 13 SER H 1.0 1.8 5.5 378 297 A 16 TYR H A 13 SER H 1.0 1.8 5.5 379 298 A 13 SER H A 16 TYR HD% 1.0 1.8 5.5 380 299 A 14 GLU HA A 14 GLU HGx 1.0 1.8 3.0 381 299 A 14 GLU HA A 14 GLU HGy 1.0 1.8 3.0 382 300 A 14 GLU H A 14 GLU HA 1.0 1.8 3.0 383 301 A 14 GLU HA A 15 GLY HAy 1.0 1.8 5.0 384 301 A 15 GLY HAx A 14 GLU HA 1.0 1.8 5.0 385 302 A 15 GLY H A 14 GLU HA 1.0 1.8 4.0 386 303 A 14 GLU H A 14 GLU HBx 1.0 1.8 4.0 387 304 A 14 GLU H A 14 GLU HBy 1.0 1.8 4.0 388 305 A 14 GLU H A 14 GLU HGx 1.0 1.8 4.5 389 305 A 14 GLU H A 14 GLU HGy 1.0 1.8 4.5 390 306 A 15 GLY H A 14 GLU HBx 1.0 1.8 3.5 391 306 A 15 GLY H A 14 GLU HBy 1.0 1.8 3.5 392 307 A 15 GLY H A 14 GLU HBx 1.0 1.8 4.5 393 308 A 15 GLY H A 14 GLU HBy 1.0 1.8 4.5 394 309 A 15 GLY H A 14 GLU HGx 1.0 1.8 5.5 395 309 A 15 GLY H A 14 GLU HGy 1.0 1.8 5.5 396 310 A 16 TYR HD% A 14 GLU HBx 1.0 1.8 5.5 397 310 A 16 TYR HD% A 14 GLU HBy 1.0 1.8 5.5 398 311 A 16 TYR HE% A 14 GLU HBx 1.0 1.8 3.5 399 311 A 14 GLU HBy A 16 TYR HE% 1.0 1.8 3.5 400 312 A 16 TYR HE% A 14 GLU HBx 1.0 1.8 4.5 401 313 A 14 GLU HBy A 16 TYR HE% 1.0 1.8 4.5 402 314 A 15 GLY H A 14 GLU H 1.0 1.8 4.0 403 315 A 16 TYR H A 14 GLU H 1.0 1.8 6.0 404 316 A 16 TYR HD% A 14 GLU H 1.0 1.8 6.5 405 317 A 14 GLU H A 16 TYR HE% 1.0 1.8 6.5 406 318 A 15 GLY H A 15 GLY HAy 1.0 1.8 3.0 407 318 A 15 GLY HAx A 15 GLY H 1.0 1.8 3.0 408 319 A 15 GLY HAx A 15 GLY H 1.0 1.8 3.5 409 320 A 15 GLY H A 15 GLY HAy 1.0 1.8 3.5 410 321 A 16 TYR H A 15 GLY HAy 1.0 1.8 3.5 411 321 A 16 TYR H A 15 GLY HAx 1.0 1.8 3.5 412 322 A 16 TYR H A 15 GLY HAx 1.0 1.8 4.0 413 323 A 16 TYR H A 15 GLY HAy 1.0 1.8 4.0 414 324 A 15 GLY H A 16 TYR HD% 1.0 1.8 4.5 415 325 A 15 GLY H A 16 TYR HE% 1.0 1.8 5.5 416 326 A 16 TYR H A 15 GLY H 1.0 1.8 3.0 417 327 A 16 TYR HD% A 16 TYR HA 1.0 1.8 3.0 418 328 A 16 TYR HA A 16 TYR HE% 1.0 1.8 5.5 419 329 A 16 TYR H A 16 TYR HA 1.0 1.8 3.5 420 330 A 17 HIS HD2 A 16 TYR HA 1.0 1.8 3.5 421 331 A 16 TYR HA A 17 HIS H 1.0 1.8 3.0 422 332 A 29 TRP HZ3 A 16 TYR HA 1.0 1.8 5.5 423 333 A 16 TYR HD% A 16 TYR HBx 1.0 1.8 3.0 424 333 A 16 TYR HD% A 16 TYR HBy 1.0 1.8 3.0 425 334 A 16 TYR HD% A 16 TYR HBx 1.0 1.8 3.5 426 335 A 16 TYR HD% A 16 TYR HBy 1.0 1.8 3.5 427 336 A 16 TYR HE% A 16 TYR HBx 1.0 1.8 5.0 428 336 A 16 TYR HBy A 16 TYR HE% 1.0 1.8 5.0 429 337 A 16 TYR HE% A 16 TYR HBx 1.0 1.8 5.5 430 338 A 16 TYR HBy A 16 TYR HE% 1.0 1.8 5.5 431 339 A 16 TYR H A 16 TYR HBx 1.0 1.8 3.0 432 339 A 16 TYR H A 16 TYR HBy 1.0 1.8 3.0 433 340 A 16 TYR H A 16 TYR HBx 1.0 1.8 4.0 434 341 A 16 TYR H A 16 TYR HBy 1.0 1.8 4.0 435 342 A 17 HIS H A 16 TYR HBx 1.0 1.8 4.0 436 342 A 16 TYR HBy A 17 HIS H 1.0 1.8 4.0 437 343 A 17 HIS H A 16 TYR HBx 1.0 1.8 5.0 438 344 A 16 TYR HBy A 17 HIS H 1.0 1.8 5.0 439 345 A 29 TRP HE3 A 16 TYR HBx 1.0 1.8 4.5 440 345 A 16 TYR HBy A 29 TRP HE3 1.0 1.8 4.5 441 346 A 29 TRP HE3 A 16 TYR HBx 1.0 1.8 5.5 442 347 A 16 TYR HBy A 29 TRP HE3 1.0 1.8 5.5 443 348 A 29 TRP HZ3 A 16 TYR HBx 1.0 1.8 4.0 444 348 A 29 TRP HZ3 A 16 TYR HBy 1.0 1.8 4.0 445 349 A 29 TRP HZ3 A 16 TYR HBx 1.0 1.8 4.5 446 350 A 29 TRP HZ3 A 16 TYR HBy 1.0 1.8 4.5 447 351 A 16 TYR H A 16 TYR HD% 1.0 1.8 4.0 448 352 A 16 TYR H A 16 TYR HE% 1.0 1.8 6.0 449 353 A 16 TYR HD% A 17 HIS H 1.0 1.8 5.5 450 354 A 16 TYR H A 17 HIS H 1.0 1.8 4.8 451 355 A 16 TYR H A 29 TRP HZ3 1.0 1.8 6.0 452 356 A 17 HIS HA A 17 HIS HD2 1.0 1.8 4.0 453 357 A 17 HIS HA A 17 HIS H 1.0 1.8 3.5 454 358 A 18 TYR HD% A 17 HIS HA 1.0 1.8 4.5 455 359 A 18 TYR HE% A 17 HIS HA 1.0 1.8 7.0 456 360 A 18 TYR H A 17 HIS HA 1.0 1.8 3.0 457 361 A 17 HIS HD2 A 17 HIS HBx 1.0 1.8 4.0 458 362 A 17 HIS HBy A 17 HIS HD2 1.0 1.8 4.0 459 363 A 17 HIS H A 17 HIS HBx 1.0 1.8 3.0 460 363 A 17 HIS HBy A 17 HIS H 1.0 1.8 3.0 461 364 A 17 HIS H A 17 HIS HBx 1.0 1.8 4.0 462 365 A 17 HIS HBy A 17 HIS H 1.0 1.8 4.0 463 366 A 17 HIS HD2 A 17 HIS H 1.0 1.8 3.0 464 367 A 18 TYR H A 17 HIS HBx 1.0 1.8 4.0 465 367 A 18 TYR H A 17 HIS HBy 1.0 1.8 4.0 466 368 A 18 TYR H A 17 HIS HBx 1.0 1.8 5.0 467 369 A 18 TYR H A 17 HIS HBy 1.0 1.8 5.0 468 370 A 18 TYR H A 17 HIS HD2 1.0 1.8 6.5 469 371 A 18 TYR H A 17 HIS H 1.0 1.8 4.8 470 372 A 18 TYR HD% A 18 TYR HA 1.0 1.8 5.0 471 373 A 18 TYR H A 18 TYR HA 1.0 1.8 3.5 472 374 A 19 TYR HD% A 18 TYR HA 1.0 1.8 5.0 473 375 A 19 TYR HE% A 18 TYR HA 1.0 1.8 6.0 474 376 A 19 TYR H A 18 TYR HA 1.0 1.8 3.0 475 377 A 18 TYR HA A 29 TRP HA 1.0 1.8 3.5 476 378 A 29 TRP HE3 A 18 TYR HA 1.0 1.8 4.5 477 379 A 29 TRP HZ3 A 18 TYR HA 1.0 1.8 5.5 478 380 A 18 TYR H A 18 TYR HBx 1.0 1.8 3.5 479 380 A 18 TYR H A 18 TYR HBy 1.0 1.8 3.5 480 381 A 18 TYR H A 18 TYR HBx 1.0 1.8 4.0 481 382 A 18 TYR H A 18 TYR HBy 1.0 1.8 4.0 482 383 A 19 TYR H A 18 TYR HBx 1.0 1.8 3.5 483 383 A 19 TYR H A 18 TYR HBy 1.0 1.8 3.5 484 384 A 19 TYR H A 18 TYR HBx 1.0 1.8 4.5 485 385 A 19 TYR H A 18 TYR HBy 1.0 1.8 4.5 486 386 A 29 TRP HA A 18 TYR HBx 1.0 1.8 4.0 487 386 A 29 TRP HA A 18 TYR HBy 1.0 1.8 4.0 488 387 A 29 TRP HA A 18 TYR HBx 1.0 1.8 4.5 489 388 A 29 TRP HA A 18 TYR HBy 1.0 1.8 4.5 490 389 A 29 TRP HE3 A 18 TYR HBx 1.0 1.8 3.5 491 389 A 29 TRP HE3 A 18 TYR HBy 1.0 1.8 3.5 492 390 A 29 TRP HE3 A 18 TYR HBx 1.0 1.8 4.5 493 391 A 29 TRP HE3 A 18 TYR HBy 1.0 1.8 4.5 494 392 A 18 TYR H A 18 TYR HD% 1.0 1.8 3.0 495 393 A 18 TYR H A 18 TYR HE% 1.0 1.8 5.0 496 394 A 19 TYR H A 18 TYR HD% 1.0 1.8 4.0 497 395 A 19 TYR H A 18 TYR HE% 1.0 1.8 6.0 498 396 A 20 TYR HA A 18 TYR HE% 1.0 1.8 5.5 499 397 A 20 TYR H A 18 TYR HD% 1.0 1.8 5.5 500 398 A 20 TYR H A 18 TYR HE% 1.0 1.8 5.5 501 399 A 18 TYR HE% A 20 TYR HBx 1.0 1.8 3.5 502 399 A 20 TYR HBy A 18 TYR HE% 1.0 1.8 3.5 503 400 A 20 TYR HD% A 18 TYR HE% 1.0 1.8 6.0 504 401 A 27 SER HA A 18 TYR HD% 1.0 1.8 5.0 505 402 A 27 SER HA A 18 TYR HE% 1.0 1.8 6.0 506 403 A 18 TYR HD% A 27 SER HBx 1.0 1.8 4.5 507 403 A 18 TYR HD% A 27 SER HBy 1.0 1.8 4.5 508 404 A 18 TYR HE% A 27 SER HBx 1.0 1.8 4.5 509 404 A 18 TYR HE% A 27 SER HBy 1.0 1.8 4.5 510 405 A 28 GLN H A 18 TYR HD% 1.0 1.8 4.5 511 406 A 28 GLN H A 18 TYR HE% 1.0 1.8 6.0 512 407 A 18 TYR HD% A 29 TRP HA 1.0 1.8 6.0 513 408 A 18 TYR HD% A 29 TRP HE3 1.0 1.8 6.0 514 409 A 18 TYR HD% A 29 TRP HZ3 1.0 1.8 5.0 515 410 A 19 TYR HD% A 18 TYR H 1.0 1.8 6.5 516 411 A 18 TYR H A 19 TYR H 1.0 1.8 4.8 517 412 A 19 TYR HA A 19 TYR HD% 1.0 1.8 3.0 518 413 A 19 TYR HA A 19 TYR HE% 1.0 1.8 5.5 519 414 A 19 TYR HA A 19 TYR H 1.0 1.8 3.5 520 415 A 20 TYR H A 19 TYR HA 1.0 1.8 3.0 521 416 A 19 TYR H A 19 TYR HBx 1.0 1.8 3.0 522 416 A 19 TYR HBy A 19 TYR H 1.0 1.8 3.0 523 417 A 19 TYR H A 19 TYR HBx 1.0 1.8 4.0 524 418 A 19 TYR HBy A 19 TYR H 1.0 1.8 4.0 525 419 A 20 TYR H A 19 TYR HBx 1.0 1.8 4.0 526 419 A 20 TYR H A 19 TYR HBy 1.0 1.8 4.0 527 420 A 20 TYR H A 19 TYR HBx 1.0 1.8 5.0 528 421 A 20 TYR H A 19 TYR HBy 1.0 1.8 5.0 529 422 A 28 GLN H A 19 TYR HBx 1.0 1.8 5.0 530 422 A 19 TYR HBy A 28 GLN H 1.0 1.8 5.0 531 423 A 19 TYR HD% A 19 TYR H 1.0 1.8 4.0 532 424 A 19 TYR HE% A 19 TYR H 1.0 1.8 6.0 533 425 A 20 TYR H A 19 TYR HD% 1.0 1.8 5.0 534 426 A 19 TYR HD% A 28 GLN HBy 1.0 1.8 6.0 535 426 A 19 TYR HD% A 28 GLN HBx 1.0 1.8 6.0 536 427 A 19 TYR HD% A 28 GLN H 1.0 1.8 6.0 537 428 A 19 TYR HD% A 29 TRP HA 1.0 1.8 5.5 538 429 A 19 TYR HE% A 29 TRP HA 1.0 1.8 6.5 539 430 A 19 TYR HD% A 30 GLU HA 1.0 1.8 5.5 540 431 A 19 TYR HE% A 30 GLU HA 1.0 1.8 5.5 541 432 A 19 TYR HD% A 30 GLU H 1.0 1.8 6.0 542 433 A 19 TYR HD% A 31 LYS HA 1.0 1.8 3.0 543 434 A 19 TYR HE% A 31 LYS HA 1.0 1.8 3.0 544 435 A 19 TYR HD% A 31 LYS HBx 1.0 1.8 5.5 545 435 A 19 TYR HD% A 31 LYS HBy 1.0 1.8 5.5 546 436 A 19 TYR HE% A 31 LYS HBx 1.0 1.8 3.0 547 436 A 19 TYR HE% A 31 LYS HBy 1.0 1.8 3.0 548 437 A 19 TYR HD% A 31 LYS HGx 1.0 1.8 5.0 549 437 A 19 TYR HD% A 31 LYS HGy 1.0 1.8 5.0 550 438 A 19 TYR HE% A 31 LYS HGx 1.0 1.8 3.0 551 438 A 19 TYR HE% A 31 LYS HGy 1.0 1.8 3.0 552 439 A 19 TYR HE% A 31 LYS HDx 1.0 1.8 5.5 553 439 A 19 TYR HE% A 31 LYS HDy 1.0 1.8 5.5 554 440 A 19 TYR HE% A 31 LYS HEx 1.0 1.8 3.0 555 440 A 19 TYR HE% A 31 LYS HEy 1.0 1.8 3.0 556 441 A 19 TYR HD% A 31 LYS H 1.0 1.8 5.0 557 442 A 19 TYR HE% A 31 LYS H 1.0 1.8 4.0 558 443 A 35 PHE HD% A 19 TYR HD% 1.0 1.8 6.0 559 444 A 35 PHE HE% A 19 TYR HD% 1.0 1.8 4.5 560 445 A 19 TYR HD% A 35 PHE HZ 1.0 1.8 4.5 561 446 A 35 PHE HD% A 19 TYR HE% 1.0 1.8 4.5 562 447 A 35 PHE HE% A 19 TYR HE% 1.0 1.8 3.5 563 448 A 35 PHE HZ A 19 TYR HE% 1.0 1.8 4.5 564 449 A 20 TYR H A 19 TYR H 1.0 1.8 4.8 565 450 A 28 GLN H A 19 TYR H 1.0 1.8 4.0 566 451 A 19 TYR H A 29 TRP HA 1.0 1.8 4.0 567 452 A 19 TYR H A 29 TRP HE3 1.0 1.8 6.5 568 453 A 20 TYR HD% A 20 TYR HA 1.0 1.8 4.0 569 454 A 20 TYR H A 20 TYR HA 1.0 1.8 3.5 570 455 A 21 ASP H A 20 TYR HA 1.0 1.8 3.0 571 456 A 20 TYR HA A 26 ALA H 1.0 1.8 6.5 572 457 A 20 TYR HA A 27 SER HA 1.0 1.8 3.0 573 458 A 20 TYR HA A 27 SER HBx 1.0 1.8 5.0 574 458 A 20 TYR HA A 27 SER HBy 1.0 1.8 5.0 575 459 A 20 TYR HA A 28 GLN H 1.0 1.8 4.0 576 460 A 20 TYR H A 20 TYR HBx 1.0 1.8 3.0 577 460 A 20 TYR H A 20 TYR HBy 1.0 1.8 3.0 578 461 A 21 ASP H A 20 TYR HBx 1.0 1.8 4.5 579 461 A 21 ASP H A 20 TYR HBy 1.0 1.8 4.5 580 462 A 27 SER HA A 20 TYR HBx 1.0 1.8 4.5 581 462 A 27 SER HA A 20 TYR HBy 1.0 1.8 4.5 582 463 A 20 TYR HD% A 20 TYR H 1.0 1.8 4.5 583 464 A 20 TYR HD% A 21 ASP HA 1.0 1.8 5.0 584 465 A 21 ASP HA A 20 TYR HE% 1.0 1.8 5.5 585 466 A 20 TYR HD% A 21 ASP H 1.0 1.8 4.0 586 467 A 21 ASP H A 20 TYR HE% 1.0 1.8 5.5 587 468 A 20 TYR HD% A 22 LEU HA 1.0 1.8 5.5 588 469 A 20 TYR HE% A 22 LEU HA 1.0 1.8 3.0 589 470 A 22 LEU H A 20 TYR HD% 1.0 1.8 5.0 590 471 A 22 LEU H A 20 TYR HE% 1.0 1.8 4.5 591 472 A 20 TYR HD% A 25 GLY HAy 1.0 1.8 5.5 592 472 A 20 TYR HD% A 25 GLY HAx 1.0 1.8 5.5 593 473 A 20 TYR HE% A 25 GLY HAy 1.0 1.8 3.5 594 473 A 20 TYR HE% A 25 GLY HAx 1.0 1.8 3.5 595 474 A 20 TYR HE% A 25 GLY HAx 1.0 1.8 4.5 596 475 A 20 TYR HE% A 25 GLY HAy 1.0 1.8 4.5 597 476 A 20 TYR HE% A 25 GLY H 1.0 1.8 6.5 598 477 A 20 TYR HD% A 26 ALA H 1.0 1.8 6.0 599 478 A 20 TYR HE% A 26 ALA H 1.0 1.8 5.5 600 479 A 20 TYR HD% A 27 SER HA 1.0 1.8 5.5 601 480 A 27 SER HA A 20 TYR HE% 1.0 1.8 7.0 602 481 A 20 TYR HD% A 27 SER HBx 1.0 1.8 4.5 603 481 A 20 TYR HD% A 27 SER HBy 1.0 1.8 4.5 604 482 A 20 TYR H A 21 ASP H 1.0 1.8 4.8 605 483 A 21 ASP HA A 21 ASP H 1.0 1.8 3.5 606 484 A 22 LEU H A 21 ASP HA 1.0 1.8 3.0 607 485 A 23 ILE H A 21 ASP HA 1.0 1.8 4.5 608 486 A 21 ASP H A 21 ASP HBx 1.0 1.8 3.0 609 486 A 21 ASP H A 21 ASP HBy 1.0 1.8 3.0 610 487 A 22 LEU H A 21 ASP HBx 1.0 1.8 5.0 611 487 A 22 LEU H A 21 ASP HBy 1.0 1.8 5.0 612 488 A 23 ILE H A 21 ASP HBx 1.0 1.8 5.0 613 488 A 23 ILE H A 21 ASP HBy 1.0 1.8 5.0 614 489 A 24 SER H A 21 ASP HBx 1.0 1.8 4.0 615 489 A 21 ASP HBy A 24 SER H 1.0 1.8 4.0 616 490 A 25 GLY H A 21 ASP HBx 1.0 1.8 4.0 617 490 A 25 GLY H A 21 ASP HBy 1.0 1.8 4.0 618 491 A 26 ALA HB% A 21 ASP HBx 1.0 1.8 3.5 619 491 A 21 ASP HBy A 26 ALA HB% 1.0 1.8 3.5 620 492 A 26 ALA H A 21 ASP HBx 1.0 1.8 3.5 621 492 A 26 ALA H A 21 ASP HBy 1.0 1.8 3.5 622 493 A 7 TRP HE3 A 21 ASP HBx 1.0 1.8 4.5 623 493 A 7 TRP HE3 A 21 ASP HBy 1.0 1.8 4.5 624 494 A 7 TRP HZ3 A 21 ASP HBx 1.0 1.8 4.0 625 494 A 7 TRP HZ3 A 21 ASP HBy 1.0 1.8 4.0 626 495 A 22 LEU H A 21 ASP H 1.0 1.8 4.8 627 496 A 21 ASP H A 25 GLY HAy 1.0 1.8 5.5 628 496 A 21 ASP H A 25 GLY HAx 1.0 1.8 5.5 629 497 A 21 ASP H A 25 GLY HAx 1.0 1.8 6.5 630 498 A 21 ASP H A 25 GLY HAy 1.0 1.8 6.5 631 499 A 21 ASP H A 25 GLY H 1.0 1.8 5.5 632 500 A 21 ASP H A 26 ALA HA 1.0 1.8 5.5 633 501 A 21 ASP H A 26 ALA HB% 1.0 1.8 5.5 634 502 A 21 ASP H A 26 ALA H 1.0 1.8 4.0 635 503 A 21 ASP H A 27 SER HA 1.0 1.8 4.0 636 504 A 21 ASP H A 27 SER HBx 1.0 1.8 5.5 637 504 A 21 ASP H A 27 SER HBy 1.0 1.8 5.5 638 505 A 21 ASP H A 27 SER H 1.0 1.8 5.5 639 506 A 21 ASP H A 28 GLN H 1.0 1.8 6.0 640 507 A 22 LEU HA A 22 LEU HG 1.0 1.8 4.0 641 508 A 22 LEU HA A 22 LEU HDx% 1.0 1.8 4.5 642 508 A 22 LEU HDy% A 22 LEU HA 1.0 1.8 4.5 643 509 A 22 LEU H A 22 LEU HA 1.0 1.8 3.5 644 510 A 23 ILE H A 22 LEU HA 1.0 1.8 4.0 645 511 A 22 LEU HA A 24 SER H 1.0 1.8 5.5 646 512 A 22 LEU HA A 25 GLY HAy 1.0 1.8 4.0 647 512 A 22 LEU HA A 25 GLY HAx 1.0 1.8 4.0 648 513 A 22 LEU HA A 25 GLY HAx 1.0 1.8 6.0 649 514 A 22 LEU HA A 25 GLY HAy 1.0 1.8 6.0 650 515 A 22 LEU HA A 25 GLY H 1.0 1.8 4.5 651 516 A 26 ALA H A 22 LEU HA 1.0 1.8 5.5 652 517 A 20 TYR HE% A 22 LEU HBy 1.0 1.8 3.0 653 517 A 20 TYR HE% A 22 LEU HBx 1.0 1.8 3.0 654 518 A 20 TYR HE% A 22 LEU HBx 1.0 1.8 4.5 655 519 A 20 TYR HE% A 22 LEU HBy 1.0 1.8 4.5 656 520 A 20 TYR HD% A 22 LEU HBy 1.0 1.8 4.5 657 520 A 20 TYR HD% A 22 LEU HBx 1.0 1.8 4.5 658 521 A 22 LEU H A 22 LEU HBx 1.0 1.8 4.0 659 522 A 22 LEU H A 22 LEU HBy 1.0 1.8 4.0 660 523 A 23 ILE H A 22 LEU HBy 1.0 1.8 4.5 661 523 A 23 ILE H A 22 LEU HBx 1.0 1.8 4.5 662 524 A 23 ILE H A 22 LEU HBx 1.0 1.8 5.0 663 525 A 23 ILE H A 22 LEU HBy 1.0 1.8 5.0 664 526 A 22 LEU H A 22 LEU HG 1.0 1.8 3.0 665 527 A 23 ILE H A 22 LEU HG 1.0 1.8 3.0 666 528 A 20 TYR HD% A 22 LEU HDx% 1.0 1.8 3.5 667 528 A 20 TYR HD% A 22 LEU HDy% 1.0 1.8 3.5 668 529 A 20 TYR HE% A 22 LEU HDx% 1.0 1.8 3.5 669 529 A 22 LEU HDy% A 20 TYR HE% 1.0 1.8 3.5 670 530 A 20 TYR HE% A 22 LEU HDx% 1.0 1.8 5.5 671 531 A 22 LEU HDy% A 20 TYR HE% 1.0 1.8 5.5 672 532 A 22 LEU H A 22 LEU HDx% 1.0 1.8 3.0 673 532 A 22 LEU H A 22 LEU HDy% 1.0 1.8 3.0 674 533 A 22 LEU H A 22 LEU HDx% 1.0 1.8 5.0 675 534 A 22 LEU H A 22 LEU HDy% 1.0 1.8 5.0 676 535 A 23 ILE H A 22 LEU HDx% 1.0 1.8 5.5 677 536 A 23 ILE H A 22 LEU HDy% 1.0 1.8 5.5 678 537 A 22 LEU H A 23 ILE HB 1.0 1.8 5.5 679 538 A 22 LEU H A 23 ILE HD1% 1.0 1.8 4.0 680 539 A 22 LEU H A 23 ILE H 1.0 1.8 3.0 681 540 A 22 LEU H A 24 SER H 1.0 1.8 5.5 682 541 A 22 LEU H A 25 GLY H 1.0 1.8 5.5 683 542 A 22 LEU H A 26 ALA H 1.0 1.8 6.0 684 543 A 23 ILE HB A 23 ILE HA 1.0 1.8 3.5 685 544 A 23 ILE HA A 23 ILE HG1x 1.0 1.8 3.0 686 544 A 23 ILE HG1y A 23 ILE HA 1.0 1.8 3.0 687 545 A 23 ILE HA A 23 ILE HG2% 1.0 1.8 3.0 688 546 A 23 ILE H A 23 ILE HA 1.0 1.8 3.5 689 547 A 24 SER H A 23 ILE HA 1.0 1.8 4.0 690 548 A 23 ILE HD1% A 23 ILE HB 1.0 1.8 3.0 691 549 A 23 ILE H A 23 ILE HB 1.0 1.8 3.0 692 550 A 24 SER H A 23 ILE HB 1.0 1.8 3.0 693 551 A 23 ILE H A 23 ILE HG1x 1.0 1.8 3.0 694 551 A 23 ILE H A 23 ILE HG1y 1.0 1.8 3.0 695 552 A 23 ILE H A 23 ILE HG2% 1.0 1.8 5.0 696 553 A 24 SER H A 23 ILE HG2% 1.0 1.8 3.5 697 554 A 23 ILE H A 23 ILE HD1% 1.0 1.8 3.0 698 555 A 23 ILE H A 24 SER H 1.0 1.8 3.5 699 556 A 23 ILE H A 25 GLY H 1.0 1.8 5.0 700 557 A 23 ILE H A 26 ALA H 1.0 1.8 6.0 701 558 A 24 SER H A 24 SER HA 1.0 1.8 3.5 702 559 A 25 GLY H A 24 SER HA 1.0 1.8 4.0 703 560 A 24 SER H A 24 SER HBy 1.0 1.8 3.0 704 560 A 24 SER H A 24 SER HBx 1.0 1.8 3.0 705 561 A 24 SER H A 24 SER HBx 1.0 1.8 4.0 706 562 A 24 SER H A 24 SER HBy 1.0 1.8 4.0 707 563 A 25 GLY H A 24 SER HBy 1.0 1.8 4.0 708 563 A 25 GLY H A 24 SER HBx 1.0 1.8 4.0 709 564 A 25 GLY H A 24 SER HBx 1.0 1.8 4.5 710 565 A 25 GLY H A 24 SER HBy 1.0 1.8 4.5 711 566 A 26 ALA H A 24 SER HBx 1.0 1.8 5.5 712 567 A 26 ALA H A 24 SER HBy 1.0 1.8 5.5 713 568 A 24 SER H A 25 GLY HAy 1.0 1.8 5.0 714 568 A 25 GLY HAx A 24 SER H 1.0 1.8 5.0 715 569 A 25 GLY HAx A 24 SER H 1.0 1.8 5.5 716 570 A 24 SER H A 25 GLY HAy 1.0 1.8 5.5 717 571 A 25 GLY H A 24 SER H 1.0 1.8 3.0 718 572 A 26 ALA H A 24 SER H 1.0 1.8 4.5 719 573 A 25 GLY H A 25 GLY HAy 1.0 1.8 3.0 720 573 A 25 GLY HAx A 25 GLY H 1.0 1.8 3.0 721 574 A 25 GLY HAx A 25 GLY H 1.0 1.8 3.5 722 575 A 25 GLY H A 25 GLY HAy 1.0 1.8 3.5 723 576 A 26 ALA H A 25 GLY HAy 1.0 1.8 3.5 724 576 A 26 ALA H A 25 GLY HAx 1.0 1.8 3.5 725 577 A 26 ALA H A 25 GLY HAx 1.0 1.8 4.0 726 578 A 26 ALA H A 25 GLY HAy 1.0 1.8 4.0 727 579 A 25 GLY H A 26 ALA HB% 1.0 1.8 5.5 728 580 A 26 ALA H A 25 GLY H 1.0 1.8 3.0 729 581 A 26 ALA H A 26 ALA HA 1.0 1.8 3.5 730 582 A 26 ALA HA A 27 SER H 1.0 1.8 3.0 731 583 A 26 ALA H A 26 ALA HB% 1.0 1.8 3.0 732 584 A 26 ALA HB% A 27 SER H 1.0 1.8 4.0 733 585 A 26 ALA H A 27 SER H 1.0 1.8 4.8 734 586 A 27 SER HA A 27 SER H 1.0 1.8 3.5 735 587 A 27 SER HA A 28 GLN H 1.0 1.8 3.0 736 588 A 27 SER H A 27 SER HBx 1.0 1.8 4.0 737 588 A 27 SER HBy A 27 SER H 1.0 1.8 4.0 738 589 A 27 SER HBy A 27 SER H 1.0 1.8 4.5 739 590 A 27 SER H A 27 SER HBx 1.0 1.8 4.5 740 591 A 28 GLN H A 27 SER HBx 1.0 1.8 3.5 741 591 A 28 GLN H A 27 SER HBy 1.0 1.8 3.5 742 592 A 28 GLN H A 27 SER HBy 1.0 1.8 4.5 743 593 A 28 GLN H A 27 SER HBx 1.0 1.8 4.5 744 594 A 28 GLN H A 27 SER H 1.0 1.8 4.8 745 595 A 28 GLN H A 28 GLN HA 1.0 1.8 3.5 746 596 A 28 GLN HA A 29 TRP HD1 1.0 1.8 5.5 747 597 A 28 GLN HA A 29 TRP H 1.0 1.8 3.0 748 598 A 30 GLU H A 28 GLN HA 1.0 1.8 5.5 749 599 A 28 GLN H A 28 GLN HBy 1.0 1.8 3.5 750 599 A 28 GLN HBx A 28 GLN H 1.0 1.8 3.5 751 600 A 28 GLN HBx A 28 GLN H 1.0 1.8 4.0 752 601 A 28 GLN H A 28 GLN HBy 1.0 1.8 4.0 753 602 A 29 TRP H A 28 GLN HBy 1.0 1.8 4.0 754 602 A 28 GLN HBx A 29 TRP H 1.0 1.8 4.0 755 603 A 28 GLN HBx A 29 TRP H 1.0 1.8 5.0 756 604 A 29 TRP H A 28 GLN HBy 1.0 1.8 5.0 757 605 A 28 GLN H A 28 GLN HGx 1.0 1.8 5.0 758 605 A 28 GLN H A 28 GLN HGy 1.0 1.8 5.0 759 606 A 29 TRP H A 28 GLN HGx 1.0 1.8 3.0 760 606 A 29 TRP H A 28 GLN HGy 1.0 1.8 3.0 761 607 A 30 GLU H A 28 GLN HGx 1.0 1.8 3.0 762 607 A 30 GLU H A 28 GLN HGy 1.0 1.8 3.0 763 608 A 28 GLN H A 29 TRP H 1.0 1.8 4.8 764 609 A 29 TRP HA A 29 TRP HD1 1.0 1.8 5.5 765 610 A 29 TRP HE3 A 29 TRP HA 1.0 1.8 4.0 766 611 A 29 TRP HZ3 A 29 TRP HA 1.0 1.8 6.0 767 612 A 29 TRP HA A 29 TRP H 1.0 1.8 3.5 768 613 A 29 TRP HA A 30 GLU H 1.0 1.8 4.0 769 614 A 29 TRP HD1 A 29 TRP HBx 1.0 1.8 3.0 770 614 A 29 TRP HD1 A 29 TRP HBy 1.0 1.8 3.0 771 615 A 29 TRP HD1 A 29 TRP HBx 1.0 1.8 4.0 772 616 A 29 TRP HD1 A 29 TRP HBy 1.0 1.8 4.0 773 617 A 29 TRP HE3 A 29 TRP HBx 1.0 1.8 3.0 774 617 A 29 TRP HE3 A 29 TRP HBy 1.0 1.8 3.0 775 618 A 29 TRP HE3 A 29 TRP HBx 1.0 1.8 4.5 776 619 A 29 TRP HE3 A 29 TRP HBy 1.0 1.8 4.5 777 620 A 29 TRP H A 29 TRP HBx 1.0 1.8 3.0 778 620 A 29 TRP H A 29 TRP HBy 1.0 1.8 3.0 779 621 A 29 TRP H A 29 TRP HBx 1.0 1.8 4.0 780 622 A 29 TRP H A 29 TRP HBy 1.0 1.8 4.0 781 623 A 30 GLU H A 29 TRP HBx 1.0 1.8 3.5 782 623 A 30 GLU H A 29 TRP HBy 1.0 1.8 3.5 783 624 A 30 GLU H A 29 TRP HBx 1.0 1.8 4.5 784 625 A 30 GLU H A 29 TRP HBy 1.0 1.8 4.5 785 626 A 29 TRP HD1 A 29 TRP H 1.0 1.8 4.0 786 627 A 30 GLU H A 29 TRP HD1 1.0 1.8 5.5 787 628 A 29 TRP H A 29 TRP HE1 1.0 1.8 6.5 788 629 A 29 TRP HE3 A 29 TRP H 1.0 1.8 6.5 789 630 A 30 GLU HA A 29 TRP H 1.0 1.8 6.0 790 631 A 29 TRP H A 30 GLU HBx 1.0 1.8 5.0 791 631 A 29 TRP H A 30 GLU HBy 1.0 1.8 5.0 792 632 A 30 GLU H A 29 TRP H 1.0 1.8 3.0 793 633 A 30 GLU HA A 30 GLU HGx 1.0 1.8 3.0 794 633 A 30 GLU HA A 30 GLU HGy 1.0 1.8 3.0 795 634 A 30 GLU HA A 30 GLU H 1.0 1.8 3.5 796 635 A 30 GLU HA A 31 LYS H 1.0 1.8 3.0 797 636 A 30 GLU H A 30 GLU HBx 1.0 1.8 3.0 798 636 A 30 GLU H A 30 GLU HBy 1.0 1.8 3.0 799 637 A 31 LYS H A 30 GLU HBx 1.0 1.8 3.5 800 637 A 31 LYS H A 30 GLU HBy 1.0 1.8 3.5 801 638 A 30 GLU H A 30 GLU HGx 1.0 1.8 4.0 802 638 A 30 GLU H A 30 GLU HGy 1.0 1.8 4.0 803 639 A 31 LYS H A 30 GLU HGx 1.0 1.8 4.5 804 639 A 31 LYS H A 30 GLU HGy 1.0 1.8 4.5 805 640 A 30 GLU H A 31 LYS H 1.0 1.8 5.5 806 641 A 31 LYS HA A 31 LYS HGx 1.0 1.8 3.0 807 641 A 31 LYS HA A 31 LYS HGy 1.0 1.8 3.0 808 642 A 31 LYS HA A 31 LYS H 1.0 1.8 3.5 809 643 A 31 LYS H A 31 LYS HBx 1.0 1.8 3.0 810 643 A 31 LYS HBy A 31 LYS H 1.0 1.8 3.0 811 644 A 31 LYS H A 31 LYS HGx 1.0 1.8 5.0 812 644 A 31 LYS HGy A 31 LYS H 1.0 1.8 5.0 813 645 A 31 LYS H A 31 LYS HDx 1.0 1.8 6.0 814 645 A 31 LYS HDy A 31 LYS H 1.0 1.8 6.0 815 646 A 31 LYS H A 31 LYS HEx 1.0 1.8 6.0 816 646 A 31 LYS HEy A 31 LYS H 1.0 1.8 6.0 817 647 A 35 PHE HD% A 31 LYS HDx 1.0 1.8 3.0 818 647 A 35 PHE HD% A 31 LYS HDy 1.0 1.8 3.0 819 648 A 35 PHE HE% A 31 LYS HDx 1.0 1.8 5.5 820 648 A 35 PHE HE% A 31 LYS HDy 1.0 1.8 5.5 821 649 A 35 PHE HD% A 31 LYS HEx 1.0 1.8 3.5 822 649 A 35 PHE HD% A 31 LYS HEy 1.0 1.8 3.5 823 650 A 35 PHE HE% A 31 LYS HEx 1.0 1.8 5.0 824 650 A 35 PHE HE% A 31 LYS HEy 1.0 1.8 5.0 825 651 A 35 PHE HD% A 31 LYS HGx 1.0 1.8 4.0 826 651 A 35 PHE HD% A 31 LYS HGy 1.0 1.8 4.0 827 652 A 35 PHE HE% A 31 LYS HGx 1.0 1.8 6.0 828 652 A 35 PHE HE% A 31 LYS HGy 1.0 1.8 6.0 829 653 A 31 LYS HGy A 35 PHE HBy 1.0 1.8 3.5 830 653 A 35 PHE HBx A 31 LYS HGx 1.0 1.8 3.5 831 653 A 31 LYS HGy A 35 PHE HBx 1.0 1.8 3.5 832 653 A 31 LYS HGx A 35 PHE HBy 1.0 1.8 3.5 833 654 A 31 LYS HDy A 35 PHE HBy 1.0 1.8 3.5 834 654 A 31 LYS HDx A 35 PHE HBy 1.0 1.8 3.5 835 654 A 35 PHE HBx A 31 LYS HDx 1.0 1.8 3.5 836 654 A 31 LYS HDy A 35 PHE HBx 1.0 1.8 3.5 837 655 A 32 PRO HA A 33 GLU H 1.0 1.8 3.0 838 656 A 33 GLU H A 32 PRO HBx 1.0 1.8 4.0 839 656 A 33 GLU H A 32 PRO HBy 1.0 1.8 4.0 840 657 A 7 TRP HD1 A 32 PRO HBx 1.0 1.8 5.5 841 657 A 7 TRP HD1 A 32 PRO HBy 1.0 1.8 5.5 842 658 A 7 TRP HD1 A 32 PRO HGy 1.0 1.8 5.5 843 658 A 7 TRP HD1 A 32 PRO HGx 1.0 1.8 5.5 844 659 A 7 TRP HE1 A 32 PRO HBx 1.0 1.8 5.5 845 659 A 7 TRP HE1 A 32 PRO HBy 1.0 1.8 5.5 846 660 A 7 TRP HBy A 32 PRO HGy 1.0 1.8 5.5 847 660 A 7 TRP HBx A 32 PRO HGy 1.0 1.8 5.5 848 660 A 32 PRO HGx A 7 TRP HBx 1.0 1.8 5.5 849 660 A 7 TRP HBy A 32 PRO HGx 1.0 1.8 5.5 850 661 A 19 TYR HBy A 32 PRO HGy 1.0 1.8 5.5 851 661 A 19 TYR HBx A 32 PRO HGy 1.0 1.8 5.5 852 661 A 32 PRO HGx A 19 TYR HBx 1.0 1.8 5.5 853 661 A 19 TYR HBy A 32 PRO HGx 1.0 1.8 5.5 854 662 A 35 PHE H A 32 PRO HBx 1.0 1.8 5.5 855 662 A 32 PRO HBy A 35 PHE H 1.0 1.8 5.5 856 663 A 35 PHE H A 32 PRO HGy 1.0 1.8 6.0 857 663 A 32 PRO HGx A 35 PHE H 1.0 1.8 6.0 858 664 A 33 GLU H A 33 GLU HA 1.0 1.8 3.5 859 665 A 33 GLU HA A 34 GLY H 1.0 1.8 3.5 860 666 A 35 PHE H A 33 GLU HA 1.0 1.8 5.5 861 667 A 33 GLU H A 33 GLU HBx 1.0 1.8 3.0 862 667 A 33 GLU H A 33 GLU HBy 1.0 1.8 3.0 863 668 A 33 GLU H A 33 GLU HGy 1.0 1.8 5.0 864 668 A 33 GLU H A 33 GLU HGx 1.0 1.8 5.0 865 669 A 34 GLY H A 33 GLU HBx 1.0 1.8 4.5 866 669 A 34 GLY H A 33 GLU HBy 1.0 1.8 4.5 867 670 A 34 GLY H A 33 GLU HGy 1.0 1.8 5.0 868 670 A 34 GLY H A 33 GLU HGx 1.0 1.8 5.0 869 671 A 33 GLU H A 34 GLY H 1.0 1.8 5.5 870 672 A 33 GLU H A 35 PHE H 1.0 1.8 6.5 871 673 A 34 GLY H A 34 GLY HAx 1.0 1.8 3.0 872 674 A 34 GLY H A 34 GLY HAy 1.0 1.8 3.0 873 675 A 35 PHE H A 34 GLY HAy 1.0 1.8 3.5 874 675 A 35 PHE H A 34 GLY HAx 1.0 1.8 3.5 875 676 A 35 PHE H A 34 GLY HAx 1.0 1.8 4.0 876 677 A 35 PHE H A 34 GLY HAy 1.0 1.8 4.0 877 678 A 35 PHE H A 34 GLY H 1.0 1.8 4.0 878 679 A 35 PHE HD% A 35 PHE HA 1.0 1.8 3.0 879 680 A 35 PHE HE% A 35 PHE HA 1.0 1.8 5.5 880 681 A 35 PHE HA A 35 PHE H 1.0 1.8 3.5 881 682 A 35 PHE H A 35 PHE HBy 1.0 1.8 3.0 882 682 A 35 PHE HBx A 35 PHE H 1.0 1.8 3.0 883 683 A 35 PHE HD% A 35 PHE H 1.0 1.8 5.5 884 684 A 36 GLN HA A 37 GLY H 1.0 1.8 3.5 885 685 A 37 GLY H A 36 GLN H 1.0 1.8 5.0 886 686 A 35 PHE HA A 36 GLN H 1.0 1.8 4.0 887 687 A 35 PHE H A 36 GLN H 1.0 1.8 4.5 888 688 A 36 GLN H A 35 PHE HBy 1.0 1.8 3.5 889 688 A 35 PHE HBx A 36 GLN H 1.0 1.8 3.5 890 689 A 35 PHE HD% A 36 GLN H 1.0 1.8 4.5 891 690 A 36 GLN HA A 36 GLN HGx 1.0 1.8 3.0 892 690 A 36 GLN HA A 36 GLN HGy 1.0 1.8 3.0 893 691 A 36 GLN HA A 36 GLN H 1.0 1.8 3.5 894 692 A 36 GLN H A 36 GLN HBy 1.0 1.8 3.5 895 692 A 36 GLN H A 36 GLN HBx 1.0 1.8 3.5 896 693 A 36 GLN H A 36 GLN HGx 1.0 1.8 4.0 897 693 A 36 GLN H A 36 GLN HGy 1.0 1.8 4.0 898 694 A 37 GLY H A 36 GLN HBx 1.0 1.8 5.0 899 695 A 37 GLY H A 36 GLN HBy 1.0 1.8 5.0 900 696 A 37 GLY H A 36 GLN HGx 1.0 1.8 6.0 901 696 A 37 GLY H A 36 GLN HGy 1.0 1.8 6.0 902 697 A 35 PHE HD% A 36 GLN HBy 1.0 1.8 4.5 903 697 A 35 PHE HD% A 36 GLN HBx 1.0 1.8 4.5 904 698 A 35 PHE HE% A 36 GLN HBy 1.0 1.8 5.5 905 698 A 35 PHE HE% A 36 GLN HBx 1.0 1.8 5.5 906 699 A 35 PHE HD% A 36 GLN HGx 1.0 1.8 4.0 907 699 A 35 PHE HD% A 36 GLN HGy 1.0 1.8 4.0 908 700 A 35 PHE HE% A 36 GLN HGx 1.0 1.8 4.0 909 700 A 35 PHE HE% A 36 GLN HGy 1.0 1.8 4.0 910 701 A 38 ASP H A 37 GLY HAx 1.0 1.8 3.0 911 701 A 37 GLY HAy A 38 ASP H 1.0 1.8 3.0 912 702 A 37 GLY H A 38 ASP H 1.0 1.8 5.0 913 703 A 37 GLY H A 37 GLY HAx 1.0 1.8 3.0 914 703 A 37 GLY H A 37 GLY HAy 1.0 1.8 3.0 915 704 A 35 PHE H A 37 GLY H 1.0 1.8 6.5 916 705 A 38 ASP HA A 37 GLY HAx 1.0 1.8 5.0 917 705 A 37 GLY HAy A 38 ASP HA 1.0 1.8 5.0 918 706 A 38 ASP HA A 39 LEU H 1.0 1.8 3.0 919 707 A 38 ASP H A 39 LEU H 1.0 1.8 5.0 920 708 A 38 ASP H A 38 ASP HA 1.0 1.8 3.5 921 709 A 38 ASP H A 38 ASP HBx 1.0 1.8 3.5 922 709 A 38 ASP H A 38 ASP HBy 1.0 1.8 3.5 923 710 A 38 ASP H A 38 ASP HBx 1.0 1.8 4.0 924 711 A 38 ASP H A 38 ASP HBy 1.0 1.8 4.0 925 712 A 39 LEU H A 38 ASP HBx 1.0 1.8 5.0 926 713 A 39 LEU H A 38 ASP HBy 1.0 1.8 5.0 927 714 A 38 ASP HA A 39 LEU HBx 1.0 1.8 5.0 928 714 A 38 ASP HA A 39 LEU HBy 1.0 1.8 5.0 929 715 A 39 LEU HA A 40 LYS H 1.0 1.8 3.0 930 716 A 39 LEU H A 40 LYS H 1.0 1.8 5.0 931 717 A 39 LEU H A 39 LEU HA 1.0 1.8 3.5 932 718 A 39 LEU H A 39 LEU HBx 1.0 1.8 3.5 933 718 A 39 LEU H A 39 LEU HBy 1.0 1.8 3.5 934 719 A 39 LEU H A 39 LEU HG 1.0 1.8 5.0 935 720 A 39 LEU H A 39 LEU HDx% 1.0 1.8 5.5 936 720 A 39 LEU H A 39 LEU HDy% 1.0 1.8 5.5 937 721 A 40 LYS H A 39 LEU HDx% 1.0 1.8 6.0 938 721 A 40 LYS H A 39 LEU HDy% 1.0 1.8 6.0 939 722 A 39 LEU HA A 39 LEU HDx% 1.0 1.8 3.5 940 722 A 39 LEU HA A 39 LEU HDy% 1.0 1.8 3.5 941 723 A 40 LYS HA A 41 LYS H 1.0 1.8 3.0 942 724 A 40 LYS H A 41 LYS H 1.0 1.8 5.0 943 725 A 40 LYS H A 40 LYS HA 1.0 1.8 3.5 944 726 A 40 LYS H A 40 LYS HBx 1.0 1.8 3.0 945 726 A 40 LYS H A 40 LYS HBy 1.0 1.8 3.0 946 727 A 40 LYS H A 40 LYS HGx 1.0 1.8 5.0 947 727 A 40 LYS H A 40 LYS HGy 1.0 1.8 5.0 948 728 A 40 LYS H A 40 LYS HDx 1.0 1.8 5.5 949 728 A 40 LYS H A 40 LYS HDy 1.0 1.8 5.5 950 729 A 38 ASP HA A 40 LYS H 1.0 1.8 6.5 951 730 A 41 LYS HA A 42 THR H 1.0 1.8 3.0 952 731 A 41 LYS H A 42 THR H 1.0 1.8 5.0 953 732 A 41 LYS H A 41 LYS HA 1.0 1.8 3.5 954 733 A 41 LYS H A 41 LYS HBx 1.0 1.8 3.0 955 733 A 41 LYS H A 41 LYS HBy 1.0 1.8 3.0 956 734 A 41 LYS H A 41 LYS HGx 1.0 1.8 5.0 957 734 A 41 LYS H A 41 LYS HGy 1.0 1.8 5.0 958 735 A 41 LYS H A 41 LYS HDx 1.0 1.8 6.0 959 735 A 41 LYS H A 41 LYS HDy 1.0 1.8 6.0 960 736 A 42 THR H A 41 LYS HBx 1.0 1.8 5.0 961 736 A 42 THR H A 41 LYS HBy 1.0 1.8 5.0 962 737 A 42 THR H A 41 LYS HGx 1.0 1.8 5.0 963 737 A 42 THR H A 41 LYS HGy 1.0 1.8 5.0 964 738 A 42 THR HA A 43 ALA H 1.0 1.8 3.5 965 739 A 42 THR H A 43 ALA H 1.0 1.8 5.0 966 740 A 42 THR H A 42 THR HA 1.0 1.8 3.5 967 741 A 42 THR H A 42 THR HB 1.0 1.8 4.0 968 742 A 42 THR H A 42 THR HG2% 1.0 1.8 5.0 969 743 A 43 ALA H A 42 THR HB 1.0 1.8 4.0 970 744 A 43 ALA H A 42 THR HG2% 1.0 1.8 5.5 971 745 A 42 THR HA A 42 THR HG2% 1.0 1.8 3.0 972 746 A 43 ALA HA A 44 VAL H 1.0 1.8 3.0 973 747 A 43 ALA H A 44 VAL H 1.0 1.8 5.0 974 748 A 43 ALA H A 43 ALA HA 1.0 1.8 3.5 975 749 A 43 ALA H A 43 ALA HB% 1.0 1.8 3.0 976 750 A 44 VAL H A 43 ALA HB% 1.0 1.8 3.5 977 751 A 43 ALA HA A 44 VAL HGx% 1.0 1.8 5.5 978 751 A 43 ALA HA A 44 VAL HGy% 1.0 1.8 5.5 979 752 A 44 VAL H A 44 VAL HB 1.0 1.8 3.0 980 753 A 44 VAL HA A 45 LYS H 1.0 1.8 3.0 981 754 A 44 VAL H A 45 LYS H 1.0 1.8 5.0 982 755 A 44 VAL H A 44 VAL HA 1.0 1.8 3.5 983 756 A 44 VAL H A 44 VAL HGx% 1.0 1.8 3.0 984 756 A 44 VAL H A 44 VAL HGy% 1.0 1.8 3.0 985 757 A 44 VAL HB A 45 LYS H 1.0 1.8 5.0 986 758 A 45 LYS H A 44 VAL HGx% 1.0 1.8 4.0 987 758 A 44 VAL HGy% A 45 LYS H 1.0 1.8 4.0 988 759 A 44 VAL HB A 44 VAL HA 1.0 1.8 3.5 989 760 A 44 VAL HA A 44 VAL HGx% 1.0 1.8 3.0 990 760 A 44 VAL HGy% A 44 VAL HA 1.0 1.8 3.0 991 761 A 45 LYS HA A 46 THR H 1.0 1.8 3.0 992 762 A 45 LYS H A 46 THR H 1.0 1.8 5.0 993 763 A 45 LYS H A 45 LYS HA 1.0 1.8 3.5 994 764 A 45 LYS H A 45 LYS HBx 1.0 1.8 3.0 995 764 A 45 LYS H A 45 LYS HBy 1.0 1.8 3.0 996 765 A 45 LYS H A 45 LYS HGx 1.0 1.8 5.0 997 765 A 45 LYS H A 45 LYS HGy 1.0 1.8 5.0 998 766 A 45 LYS H A 45 LYS HDx 1.0 1.8 6.0 999 766 A 45 LYS H A 45 LYS HDy 1.0 1.8 6.0 1000 767 A 46 THR H A 45 LYS HBx 1.0 1.8 4.5 1001 767 A 46 THR H A 45 LYS HBy 1.0 1.8 4.5 1002 768 A 46 THR H A 45 LYS HGx 1.0 1.8 5.5 1003 768 A 46 THR H A 45 LYS HGy 1.0 1.8 5.5 1004 769 A 46 THR HA A 47 VAL H 1.0 1.8 3.0 1005 770 A 46 THR H A 47 VAL H 1.0 1.8 5.0 1006 771 A 46 THR H A 46 THR HA 1.0 1.8 3.5 1007 772 A 46 THR H A 46 THR HB 1.0 1.8 4.0 1008 773 A 46 THR H A 46 THR HG2% 1.0 1.8 4.5 1009 774 A 47 VAL H A 46 THR HB 1.0 1.8 4.5 1010 775 A 47 VAL H A 46 THR HG2% 1.0 1.8 4.5 1011 776 A 46 THR HA A 48 TRP H 1.0 1.8 4.5 1012 777 A 46 THR HB A 48 TRP H 1.0 1.8 6.0 1013 778 A 46 THR HG2% A 48 TRP H 1.0 1.8 5.5 1014 779 A 44 VAL HA A 46 THR H 1.0 1.8 6.5 1015 780 A 46 THR H A 44 VAL HGx% 1.0 1.8 6.0 1016 780 A 44 VAL HGy% A 46 THR H 1.0 1.8 6.0 1017 781 A 46 THR H A 47 VAL HG11 1.0 1.8 7.0 1018 781 A 46 THR H A 47 VAL HGy% 1.0 1.8 7.0 1019 782 A 46 THR HA A 46 THR HG2% 1.0 1.8 4.0 1020 783 A 46 THR HA A 46 THR HB 1.0 1.8 3.0 1021 784 A 47 VAL H A 47 VAL HA 1.0 1.8 3.5 1022 785 A 48 TRP H A 47 VAL HA 1.0 1.8 4.0 1023 786 A 47 VAL HA A 48 TRP HD1 1.0 1.8 5.5 1024 787 A 47 VAL HA A 63 THR H 1.0 1.8 5.5 1025 788 A 47 VAL HA A 64 GLU H 1.0 1.8 6.5 1026 789 A 47 VAL H A 47 VAL HB 1.0 1.8 3.0 1027 790 A 48 TRP H A 47 VAL HB 1.0 1.8 4.5 1028 791 A 47 VAL H A 47 VAL HG11 1.0 1.8 3.0 1029 791 A 47 VAL H A 47 VAL HGy% 1.0 1.8 3.0 1030 792 A 48 TRP H A 47 VAL HG11 1.0 1.8 5.5 1031 792 A 48 TRP H A 47 VAL HGy% 1.0 1.8 5.5 1032 793 A 48 TRP HD1 A 47 VAL HG11 1.0 1.8 5.0 1033 793 A 47 VAL HGy% A 48 TRP HD1 1.0 1.8 5.0 1034 794 A 63 THR H A 47 VAL HG11 1.0 1.8 5.0 1035 794 A 47 VAL HGy% A 63 THR H 1.0 1.8 5.0 1036 795 A 64 GLU HA A 47 VAL HG11 1.0 1.8 5.5 1037 795 A 47 VAL HGy% A 64 GLU HA 1.0 1.8 5.5 1038 796 A 47 VAL HG11 A 64 GLU HBx 1.0 1.8 3.5 1039 796 A 47 VAL HGy% A 64 GLU HBx 1.0 1.8 3.5 1040 796 A 64 GLU HBy A 47 VAL HG11 1.0 1.8 3.5 1041 796 A 47 VAL HGy% A 64 GLU HBy 1.0 1.8 3.5 1042 797 A 64 GLU H A 47 VAL HG11 1.0 1.8 5.0 1043 797 A 47 VAL HGy% A 64 GLU H 1.0 1.8 5.0 1044 798 A 65 THR H A 47 VAL HG11 1.0 1.8 7.0 1045 798 A 47 VAL HGy% A 65 THR H 1.0 1.8 7.0 1046 799 A 47 VAL H A 48 TRP HA 1.0 1.8 6.0 1047 800 A 47 VAL H A 48 TRP HBx 1.0 1.8 5.5 1048 800 A 47 VAL H A 48 TRP HBy 1.0 1.8 5.5 1049 801 A 47 VAL H A 48 TRP HBx 1.0 1.8 6.0 1050 802 A 47 VAL H A 48 TRP HBy 1.0 1.8 6.0 1051 803 A 47 VAL H A 48 TRP HD1 1.0 1.8 4.5 1052 804 A 47 VAL H A 48 TRP H 1.0 1.8 3.0 1053 805 A 48 TRP HD1 A 48 TRP HA 1.0 1.8 4.5 1054 806 A 48 TRP HA A 48 TRP HE3 1.0 1.8 4.0 1055 807 A 48 TRP H A 48 TRP HA 1.0 1.8 3.5 1056 808 A 48 TRP HA A 49 VAL H 1.0 1.8 3.0 1057 809 A 48 TRP HA A 61 TYR H 1.0 1.8 5.5 1058 810 A 48 TRP HA A 61 TYR HD% 1.0 1.8 5.5 1059 811 A 48 TRP HA A 62 ASN HA 1.0 1.8 3.0 1060 812 A 48 TRP HA A 62 ASN H 1.0 1.8 5.5 1061 813 A 48 TRP HA A 63 THR HG2% 1.0 1.8 5.5 1062 814 A 63 THR H A 48 TRP HA 1.0 1.8 4.5 1063 815 A 48 TRP H A 48 TRP HBx 1.0 1.8 3.0 1064 815 A 48 TRP H A 48 TRP HBy 1.0 1.8 3.0 1065 816 A 48 TRP H A 48 TRP HBx 1.0 1.8 4.0 1066 817 A 48 TRP H A 48 TRP HBy 1.0 1.8 4.0 1067 818 A 48 TRP HD1 A 48 TRP HBx 1.0 1.8 3.0 1068 818 A 48 TRP HD1 A 48 TRP HBy 1.0 1.8 3.0 1069 819 A 48 TRP HD1 A 48 TRP HBx 1.0 1.8 4.0 1070 820 A 48 TRP HD1 A 48 TRP HBy 1.0 1.8 4.0 1071 821 A 48 TRP HE1 A 48 TRP HBx 1.0 1.8 5.5 1072 821 A 48 TRP HBy A 48 TRP HE1 1.0 1.8 5.5 1073 822 A 48 TRP HE1 A 48 TRP HBx 1.0 1.8 6.0 1074 823 A 48 TRP HBy A 48 TRP HE1 1.0 1.8 6.0 1075 824 A 48 TRP HE3 A 48 TRP HBx 1.0 1.8 3.0 1076 824 A 48 TRP HBy A 48 TRP HE3 1.0 1.8 3.0 1077 825 A 48 TRP HE3 A 48 TRP HBx 1.0 1.8 4.5 1078 826 A 48 TRP HBy A 48 TRP HE3 1.0 1.8 4.5 1079 827 A 49 VAL H A 48 TRP HBx 1.0 1.8 3.0 1080 827 A 48 TRP HBy A 49 VAL H 1.0 1.8 3.0 1081 828 A 49 VAL H A 48 TRP HBx 1.0 1.8 4.0 1082 829 A 48 TRP HBy A 49 VAL H 1.0 1.8 4.0 1083 830 A 48 TRP HBy A 60 TYR HBx 1.0 1.8 3.5 1084 830 A 60 TYR HBy A 48 TRP HBx 1.0 1.8 3.5 1085 830 A 48 TRP HBy A 60 TYR HBy 1.0 1.8 3.5 1086 830 A 48 TRP HBx A 60 TYR HBx 1.0 1.8 3.5 1087 831 A 60 TYR HBy A 48 TRP HBx 1.0 1.8 5.5 1088 831 A 48 TRP HBx A 60 TYR HBx 1.0 1.8 5.5 1089 832 A 48 TRP HBy A 60 TYR HBy 1.0 1.8 5.5 1090 832 A 48 TRP HBy A 60 TYR HBx 1.0 1.8 5.5 1091 833 A 60 TYR HD% A 48 TRP HBx 1.0 1.8 5.0 1092 833 A 48 TRP HBy A 60 TYR HD% 1.0 1.8 5.0 1093 834 A 48 TRP HBy A 73 PRO HGy 1.0 1.8 5.5 1094 834 A 48 TRP HBx A 73 PRO HGy 1.0 1.8 5.5 1095 834 A 73 PRO HGx A 48 TRP HBx 1.0 1.8 5.5 1096 834 A 48 TRP HBy A 73 PRO HGx 1.0 1.8 5.5 1097 835 A 48 TRP H A 48 TRP HD1 1.0 1.8 3.5 1098 836 A 48 TRP H A 48 TRP HE1 1.0 1.8 6.5 1099 837 A 48 TRP H A 48 TRP HE3 1.0 1.8 6.5 1100 838 A 48 TRP HE3 A 49 VAL H 1.0 1.8 4.5 1101 839 A 48 TRP HD1 A 73 PRO HBy 1.0 1.8 5.5 1102 839 A 48 TRP HD1 A 73 PRO HBx 1.0 1.8 5.5 1103 840 A 48 TRP HD1 A 73 PRO HGy 1.0 1.8 5.0 1104 840 A 48 TRP HD1 A 73 PRO HGx 1.0 1.8 5.0 1105 841 A 48 TRP HE1 A 73 PRO HBy 1.0 1.8 4.5 1106 841 A 48 TRP HE1 A 73 PRO HBx 1.0 1.8 4.5 1107 842 A 48 TRP HE1 A 73 PRO HGy 1.0 1.8 4.0 1108 842 A 48 TRP HE1 A 73 PRO HGx 1.0 1.8 4.0 1109 843 A 48 TRP HE3 A 60 TYR HA 1.0 1.8 5.5 1110 844 A 48 TRP HE3 A 60 TYR HBx 1.0 1.8 4.0 1111 844 A 48 TRP HE3 A 60 TYR HBy 1.0 1.8 4.0 1112 845 A 48 TRP HZ3 A 60 TYR HBx 1.0 1.8 4.5 1113 845 A 60 TYR HBy A 48 TRP HZ3 1.0 1.8 4.5 1114 846 A 48 TRP HE3 A 60 TYR H 1.0 1.8 6.5 1115 847 A 48 TRP HZ3 A 60 TYR H 1.0 1.8 6.5 1116 848 A 48 TRP HE3 A 61 TYR HA 1.0 1.8 4.5 1117 849 A 48 TRP HZ3 A 61 TYR HA 1.0 1.8 4.5 1118 850 A 48 TRP HE3 A 61 TYR H 1.0 1.8 4.5 1119 851 A 48 TRP HE3 A 62 ASN HA 1.0 1.8 4.5 1120 852 A 48 TRP HE3 A 62 ASN H 1.0 1.8 4.5 1121 853 A 62 ASN H A 48 TRP HZ3 1.0 1.8 4.5 1122 854 A 62 ASN H A 48 TRP HH2 1.0 1.8 6.0 1123 855 A 48 TRP HZ3 A 62 ASN HBx 1.0 1.8 4.0 1124 855 A 48 TRP HZ3 A 62 ASN HBy 1.0 1.8 4.0 1125 856 A 48 TRP HH2 A 62 ASN HBx 1.0 1.8 4.5 1126 856 A 48 TRP HH2 A 62 ASN HBy 1.0 1.8 4.5 1127 857 A 48 TRP HZ3 A 67 GLU H 1.0 1.8 6.0 1128 858 A 48 TRP HH2 A 67 GLU H 1.0 1.8 6.5 1129 859 A 48 TRP HZ3 A 67 GLU HBx 1.0 1.8 5.0 1130 859 A 48 TRP HZ3 A 67 GLU HBy 1.0 1.8 5.0 1131 860 A 48 TRP HH2 A 67 GLU HBx 1.0 1.8 4.5 1132 860 A 48 TRP HH2 A 67 GLU HBy 1.0 1.8 4.5 1133 861 A 48 TRP HE3 A 68 SER HA 1.0 1.8 6.0 1134 862 A 48 TRP HZ3 A 68 SER HA 1.0 1.8 4.5 1135 863 A 48 TRP HH2 A 68 SER HA 1.0 1.8 6.5 1136 864 A 48 TRP HZ3 A 69 ARG HBx 1.0 1.8 4.5 1137 864 A 48 TRP HZ3 A 69 ARG HBy 1.0 1.8 4.5 1138 865 A 48 TRP HH2 A 69 ARG HBx 1.0 1.8 4.5 1139 865 A 48 TRP HH2 A 69 ARG HBy 1.0 1.8 4.5 1140 866 A 48 TRP HE3 A 69 ARG H 1.0 1.8 5.5 1141 867 A 48 TRP HZ3 A 69 ARG H 1.0 1.8 4.5 1142 868 A 48 TRP H A 49 VAL HG11 1.0 1.8 6.5 1143 868 A 48 TRP H A 49 VAL HGy% 1.0 1.8 6.5 1144 869 A 48 TRP H A 49 VAL H 1.0 1.8 4.8 1145 870 A 48 TRP H A 63 THR H 1.0 1.8 6.5 1146 871 A 49 VAL HA A 49 VAL HB 1.0 1.8 3.0 1147 872 A 49 VAL HA A 49 VAL HG11 1.0 1.8 3.0 1148 872 A 49 VAL HGy% A 49 VAL HA 1.0 1.8 3.0 1149 873 A 49 VAL H A 49 VAL HA 1.0 1.8 3.5 1150 874 A 49 VAL HA A 50 GLU H 1.0 1.8 3.0 1151 875 A 61 TYR H A 49 VAL HA 1.0 1.8 5.5 1152 876 A 49 VAL H A 49 VAL HB 1.0 1.8 3.0 1153 877 A 49 VAL HB A 50 GLU H 1.0 1.8 5.0 1154 878 A 49 VAL HB A 61 TYR HBx 1.0 1.8 5.5 1155 878 A 49 VAL HB A 61 TYR HBy 1.0 1.8 5.5 1156 879 A 61 TYR HD% A 49 VAL HB 1.0 1.8 5.5 1157 880 A 63 THR HG2% A 49 VAL HB 1.0 1.8 6.0 1158 881 A 61 TYR H A 49 VAL HB 1.0 1.8 5.5 1159 882 A 49 VAL H A 49 VAL HG11 1.0 1.8 3.5 1160 882 A 49 VAL H A 49 VAL HGy% 1.0 1.8 3.5 1161 883 A 50 GLU H A 49 VAL HG11 1.0 1.8 4.0 1162 883 A 49 VAL HGy% A 50 GLU H 1.0 1.8 4.0 1163 884 A 61 TYR H A 49 VAL HG11 1.0 1.8 3.5 1164 884 A 61 TYR H A 49 VAL HGy% 1.0 1.8 3.5 1165 885 A 49 VAL HG11 A 61 TYR HBx 1.0 1.8 3.5 1166 885 A 49 VAL HGy% A 61 TYR HBx 1.0 1.8 3.5 1167 885 A 61 TYR HBy A 49 VAL HG11 1.0 1.8 3.5 1168 885 A 49 VAL HGy% A 61 TYR HBy 1.0 1.8 3.5 1169 886 A 61 TYR HD% A 49 VAL HG11 1.0 1.8 5.5 1170 886 A 61 TYR HD% A 49 VAL HGy% 1.0 1.8 5.5 1171 887 A 63 THR HG2% A 49 VAL HG11 1.0 1.8 6.0 1172 887 A 63 THR HG2% A 49 VAL HGy% 1.0 1.8 6.0 1173 888 A 63 THR H A 49 VAL HG11 1.0 1.8 7.0 1174 888 A 63 THR H A 49 VAL HGy% 1.0 1.8 7.0 1175 889 A 49 VAL H A 50 GLU H 1.0 1.8 4.8 1176 890 A 49 VAL H A 60 TYR HA 1.0 1.8 5.0 1177 891 A 49 VAL H A 60 TYR HBx 1.0 1.8 4.0 1178 891 A 49 VAL H A 60 TYR HBy 1.0 1.8 4.0 1179 892 A 49 VAL H A 61 TYR H 1.0 1.8 3.5 1180 893 A 49 VAL H A 61 TYR HBx 1.0 1.8 5.0 1181 893 A 49 VAL H A 61 TYR HBy 1.0 1.8 5.0 1182 894 A 49 VAL H A 61 TYR HD% 1.0 1.8 4.5 1183 895 A 49 VAL H A 62 ASN HA 1.0 1.8 4.5 1184 896 A 49 VAL H A 62 ASN H 1.0 1.8 6.0 1185 897 A 49 VAL H A 63 THR HG2% 1.0 1.8 6.5 1186 898 A 63 THR H A 49 VAL H 1.0 1.8 6.0 1187 899 A 50 GLU H A 50 GLU HA 1.0 1.8 3.5 1188 900 A 50 GLU HA A 51 GLY H 1.0 1.8 3.0 1189 901 A 50 GLU HA A 59 TYR H 1.0 1.8 5.5 1190 902 A 60 TYR HA A 50 GLU HA 1.0 1.8 3.0 1191 903 A 60 TYR HD% A 50 GLU HA 1.0 1.8 3.5 1192 904 A 50 GLU HA A 60 TYR HE% 1.0 1.8 4.5 1193 905 A 60 TYR H A 50 GLU HA 1.0 1.8 6.0 1194 906 A 61 TYR H A 50 GLU HA 1.0 1.8 4.5 1195 907 A 50 GLU H A 50 GLU HBx 1.0 1.8 3.0 1196 907 A 50 GLU H A 50 GLU HBy 1.0 1.8 3.0 1197 908 A 51 GLY H A 50 GLU HBx 1.0 1.8 5.0 1198 908 A 51 GLY H A 50 GLU HBy 1.0 1.8 5.0 1199 909 A 59 TYR H A 50 GLU HBx 1.0 1.8 7.0 1200 909 A 59 TYR H A 50 GLU HBy 1.0 1.8 7.0 1201 910 A 58 THR HG2% A 50 GLU HBx 1.0 1.8 6.0 1202 910 A 50 GLU HBy A 58 THR HG2% 1.0 1.8 6.0 1203 911 A 60 TYR HA A 50 GLU HBx 1.0 1.8 5.5 1204 911 A 60 TYR HA A 50 GLU HBy 1.0 1.8 5.5 1205 912 A 60 TYR HD% A 50 GLU HBx 1.0 1.8 3.5 1206 912 A 60 TYR HD% A 50 GLU HBy 1.0 1.8 3.5 1207 913 A 60 TYR HE% A 50 GLU HBx 1.0 1.8 3.5 1208 913 A 60 TYR HE% A 50 GLU HBy 1.0 1.8 3.5 1209 914 A 50 GLU H A 50 GLU HGx 1.0 1.8 5.0 1210 914 A 50 GLU H A 50 GLU HGy 1.0 1.8 5.0 1211 915 A 51 GLY H A 50 GLU HGx 1.0 1.8 4.0 1212 915 A 51 GLY H A 50 GLU HGy 1.0 1.8 4.0 1213 916 A 58 THR HG2% A 50 GLU HGx 1.0 1.8 3.5 1214 916 A 58 THR HG2% A 50 GLU HGy 1.0 1.8 3.5 1215 917 A 59 TYR H A 50 GLU HGx 1.0 1.8 5.0 1216 917 A 59 TYR H A 50 GLU HGy 1.0 1.8 5.0 1217 918 A 60 TYR HD% A 50 GLU HGx 1.0 1.8 4.5 1218 918 A 60 TYR HD% A 50 GLU HGy 1.0 1.8 4.5 1219 919 A 60 TYR HE% A 50 GLU HGx 1.0 1.8 3.5 1220 919 A 60 TYR HE% A 50 GLU HGy 1.0 1.8 3.5 1221 920 A 50 GLU H A 51 GLY H 1.0 1.8 4.8 1222 921 A 60 TYR HA A 50 GLU H 1.0 1.8 5.5 1223 922 A 60 TYR HD% A 50 GLU H 1.0 1.8 5.0 1224 923 A 50 GLU H A 60 TYR HE% 1.0 1.8 6.0 1225 924 A 61 TYR H A 50 GLU H 1.0 1.8 6.0 1226 925 A 51 GLY H A 51 GLY HAx 1.0 1.8 3.5 1227 926 A 51 GLY H A 51 GLY HAy 1.0 1.8 3.5 1228 927 A 52 LEU H A 51 GLY HAy 1.0 1.8 3.0 1229 927 A 51 GLY HAx A 52 LEU H 1.0 1.8 3.0 1230 928 A 51 GLY HAx A 52 LEU H 1.0 1.8 3.5 1231 929 A 52 LEU H A 51 GLY HAy 1.0 1.8 3.5 1232 930 A 59 TYR H A 51 GLY HAy 1.0 1.8 5.5 1233 930 A 59 TYR H A 51 GLY HAx 1.0 1.8 5.5 1234 931 A 59 TYR H A 51 GLY HAx 1.0 1.8 6.0 1235 932 A 59 TYR H A 51 GLY HAy 1.0 1.8 6.0 1236 933 A 59 TYR HD% A 51 GLY HAy 1.0 1.8 5.5 1237 933 A 51 GLY HAx A 59 TYR HD% 1.0 1.8 5.5 1238 934 A 59 TYR HE% A 51 GLY HAy 1.0 1.8 4.5 1239 934 A 51 GLY HAx A 59 TYR HE% 1.0 1.8 4.5 1240 935 A 51 GLY HAx A 59 TYR HE% 1.0 1.8 5.5 1241 936 A 59 TYR HE% A 51 GLY HAy 1.0 1.8 5.5 1242 937 A 51 GLY H A 52 LEU H 1.0 1.8 4.8 1243 938 A 51 GLY H A 58 THR HA 1.0 1.8 5.5 1244 939 A 51 GLY H A 58 THR HG2% 1.0 1.8 5.5 1245 940 A 51 GLY H A 59 TYR HBx 1.0 1.8 7.0 1246 940 A 51 GLY H A 59 TYR HBy 1.0 1.8 7.0 1247 941 A 51 GLY H A 59 TYR HD% 1.0 1.8 5.5 1248 942 A 51 GLY H A 59 TYR HE% 1.0 1.8 5.5 1249 943 A 51 GLY H A 59 TYR H 1.0 1.8 3.5 1250 944 A 60 TYR HA A 51 GLY H 1.0 1.8 4.5 1251 945 A 60 TYR HD% A 51 GLY H 1.0 1.8 5.5 1252 946 A 60 TYR H A 51 GLY H 1.0 1.8 5.5 1253 947 A 61 TYR H A 51 GLY H 1.0 1.8 5.5 1254 948 A 52 LEU HA A 52 LEU HG 1.0 1.8 3.0 1255 949 A 52 LEU H A 52 LEU HA 1.0 1.8 3.5 1256 950 A 52 LEU HA A 53 SER H 1.0 1.8 3.0 1257 951 A 52 LEU HA A 57 PHE H 1.0 1.8 5.5 1258 952 A 58 THR HA A 52 LEU HA 1.0 1.8 3.0 1259 953 A 58 THR HG2% A 52 LEU HA 1.0 1.8 5.0 1260 954 A 59 TYR HD% A 52 LEU HA 1.0 1.8 4.5 1261 955 A 59 TYR HE% A 52 LEU HA 1.0 1.8 4.5 1262 956 A 59 TYR H A 52 LEU HA 1.0 1.8 4.0 1263 957 A 52 LEU H A 52 LEU HBy 1.0 1.8 3.0 1264 957 A 52 LEU H A 52 LEU HBx 1.0 1.8 3.0 1265 958 A 52 LEU H A 52 LEU HBx 1.0 1.8 3.5 1266 959 A 52 LEU H A 52 LEU HBy 1.0 1.8 3.5 1267 960 A 53 SER H A 52 LEU HBy 1.0 1.8 4.0 1268 960 A 53 SER H A 52 LEU HBx 1.0 1.8 4.0 1269 961 A 53 SER H A 52 LEU HBx 1.0 1.8 5.0 1270 962 A 53 SER H A 52 LEU HBy 1.0 1.8 5.0 1271 963 A 56 GLY H A 52 LEU HBy 1.0 1.8 6.5 1272 963 A 52 LEU HBx A 56 GLY H 1.0 1.8 6.5 1273 964 A 57 PHE H A 52 LEU HBy 1.0 1.8 6.0 1274 964 A 57 PHE H A 52 LEU HBx 1.0 1.8 6.0 1275 965 A 59 TYR H A 52 LEU HBy 1.0 1.8 7.0 1276 965 A 59 TYR H A 52 LEU HBx 1.0 1.8 7.0 1277 966 A 52 LEU H A 52 LEU HG 1.0 1.8 5.0 1278 967 A 52 LEU HG A 53 SER H 1.0 1.8 3.0 1279 968 A 52 LEU HG A 56 GLY HAy 1.0 1.8 4.5 1280 968 A 52 LEU HG A 56 GLY HAx 1.0 1.8 4.5 1281 969 A 52 LEU H A 52 LEU HDx% 1.0 1.8 4.5 1282 969 A 52 LEU H A 52 LEU HD21 1.0 1.8 4.5 1283 970 A 53 SER H A 52 LEU HDx% 1.0 1.8 5.0 1284 970 A 53 SER H A 52 LEU HD21 1.0 1.8 5.0 1285 971 A 52 LEU HD21 A 56 GLY HAy 1.0 1.8 4.0 1286 971 A 52 LEU HDx% A 56 GLY HAy 1.0 1.8 4.0 1287 971 A 56 GLY HAx A 52 LEU HDx% 1.0 1.8 4.0 1288 971 A 56 GLY HAx A 52 LEU HD21 1.0 1.8 4.0 1289 972 A 56 GLY HAx A 52 LEU HD21 1.0 1.8 4.5 1290 972 A 56 GLY HAx A 52 LEU HDx% 1.0 1.8 4.5 1291 973 A 52 LEU HD21 A 56 GLY HAy 1.0 1.8 4.5 1292 973 A 52 LEU HDx% A 56 GLY HAy 1.0 1.8 4.5 1293 974 A 56 GLY H A 52 LEU HDx% 1.0 1.8 4.5 1294 974 A 56 GLY H A 52 LEU HD21 1.0 1.8 4.5 1295 975 A 57 PHE HA A 52 LEU HDx% 1.0 1.8 6.0 1296 975 A 52 LEU HD21 A 57 PHE HA 1.0 1.8 6.0 1297 976 A 57 PHE H A 52 LEU HDx% 1.0 1.8 4.5 1298 976 A 57 PHE H A 52 LEU HD21 1.0 1.8 4.5 1299 977 A 58 THR HA A 52 LEU HDx% 1.0 1.8 4.0 1300 977 A 58 THR HA A 52 LEU HD21 1.0 1.8 4.0 1301 978 A 58 THR HG2% A 52 LEU HDx% 1.0 1.8 4.5 1302 978 A 58 THR HG2% A 52 LEU HD21 1.0 1.8 4.5 1303 979 A 58 THR H A 52 LEU HDx% 1.0 1.8 6.5 1304 979 A 52 LEU HD21 A 58 THR H 1.0 1.8 6.5 1305 980 A 59 TYR H A 52 LEU HDx% 1.0 1.8 6.0 1306 980 A 59 TYR H A 52 LEU HD21 1.0 1.8 6.0 1307 981 A 52 LEU H A 53 SER H 1.0 1.8 4.8 1308 982 A 52 LEU H A 59 TYR HD% 1.0 1.8 5.5 1309 983 A 52 LEU H A 59 TYR HE% 1.0 1.8 4.0 1310 984 A 59 TYR H A 52 LEU H 1.0 1.8 6.0 1311 985 A 53 SER H A 53 SER HA 1.0 1.8 3.5 1312 986 A 53 SER HA A 54 GLU H 1.0 1.8 3.0 1313 987 A 59 TYR HD% A 53 SER HA 1.0 1.8 5.5 1314 988 A 59 TYR HE% A 53 SER HA 1.0 1.8 4.5 1315 989 A 53 SER H A 53 SER HBy 1.0 1.8 3.0 1316 989 A 53 SER H A 53 SER HBx 1.0 1.8 3.0 1317 990 A 53 SER H A 53 SER HBx 1.0 1.8 3.5 1318 991 A 53 SER H A 53 SER HBy 1.0 1.8 3.5 1319 992 A 54 GLU H A 53 SER HBy 1.0 1.8 3.5 1320 992 A 54 GLU H A 53 SER HBx 1.0 1.8 3.5 1321 993 A 54 GLU H A 53 SER HBx 1.0 1.8 4.5 1322 994 A 54 GLU H A 53 SER HBy 1.0 1.8 4.5 1323 995 A 57 PHE H A 53 SER HBx 1.0 1.8 5.5 1324 996 A 57 PHE H A 53 SER HBy 1.0 1.8 5.5 1325 997 A 57 PHE HD% A 53 SER HBy 1.0 1.8 5.5 1326 997 A 53 SER HBx A 57 PHE HD% 1.0 1.8 5.5 1327 998 A 53 SER HBx A 57 PHE HD% 1.0 1.8 6.0 1328 999 A 57 PHE HD% A 53 SER HBy 1.0 1.8 6.0 1329 1000 A 59 TYR HD% A 53 SER HBy 1.0 1.8 4.5 1330 1000 A 59 TYR HD% A 53 SER HBx 1.0 1.8 4.5 1331 1001 A 59 TYR HD% A 53 SER HBx 1.0 1.8 5.5 1332 1002 A 59 TYR HD% A 53 SER HBy 1.0 1.8 5.5 1333 1003 A 59 TYR HE% A 53 SER HBy 1.0 1.8 4.5 1334 1003 A 59 TYR HE% A 53 SER HBx 1.0 1.8 4.5 1335 1004 A 59 TYR HE% A 53 SER HBx 1.0 1.8 5.5 1336 1005 A 59 TYR HE% A 53 SER HBy 1.0 1.8 5.5 1337 1006 A 70 TRP HE3 A 53 SER HBy 1.0 1.8 7.0 1338 1006 A 53 SER HBx A 70 TRP HE3 1.0 1.8 7.0 1339 1007 A 70 TRP HZ3 A 53 SER HBy 1.0 1.8 4.5 1340 1007 A 53 SER HBx A 70 TRP HZ3 1.0 1.8 4.5 1341 1008 A 53 SER HBx A 70 TRP HZ3 1.0 1.8 6.0 1342 1009 A 70 TRP HZ3 A 53 SER HBy 1.0 1.8 6.0 1343 1010 A 70 TRP HH2 A 53 SER HBy 1.0 1.8 4.5 1344 1010 A 53 SER HBx A 70 TRP HH2 1.0 1.8 4.5 1345 1011 A 53 SER HBx A 70 TRP HH2 1.0 1.8 5.5 1346 1012 A 70 TRP HH2 A 53 SER HBy 1.0 1.8 5.5 1347 1013 A 53 SER H A 54 GLU H 1.0 1.8 4.8 1348 1014 A 53 SER H A 56 GLY H 1.0 1.8 5.0 1349 1015 A 53 SER H A 57 PHE HBx 1.0 1.8 4.0 1350 1015 A 53 SER H A 57 PHE HBy 1.0 1.8 4.0 1351 1016 A 53 SER H A 57 PHE HBx 1.0 1.8 5.5 1352 1017 A 53 SER H A 57 PHE HBy 1.0 1.8 5.5 1353 1018 A 53 SER H A 57 PHE H 1.0 1.8 3.0 1354 1019 A 58 THR HA A 53 SER H 1.0 1.8 5.0 1355 1020 A 53 SER H A 57 PHE HD% 1.0 1.8 5.5 1356 1021 A 59 TYR HD% A 53 SER H 1.0 1.8 4.5 1357 1022 A 59 TYR HE% A 53 SER H 1.0 1.8 4.5 1358 1023 A 59 TYR H A 53 SER H 1.0 1.8 5.5 1359 1024 A 53 SER H A 70 TRP HH2 1.0 1.8 6.5 1360 1025 A 53 SER H A 70 TRP HZ3 1.0 1.8 6.5 1361 1026 A 54 GLU H A 54 GLU HA 1.0 1.8 3.0 1362 1027 A 54 GLU HA A 54 GLU HGx 1.0 1.8 3.0 1363 1027 A 54 GLU HA A 54 GLU HGy 1.0 1.8 3.0 1364 1028 A 54 GLU HA A 55 ASP H 1.0 1.8 3.0 1365 1029 A 56 GLY H A 54 GLU HA 1.0 1.8 4.5 1366 1030 A 57 PHE H A 54 GLU HA 1.0 1.8 6.5 1367 1031 A 54 GLU H A 54 GLU HBx 1.0 1.8 3.0 1368 1031 A 54 GLU H A 54 GLU HBy 1.0 1.8 3.0 1369 1032 A 55 ASP HA A 54 GLU HBx 1.0 1.8 6.0 1370 1032 A 54 GLU HBy A 55 ASP HA 1.0 1.8 6.0 1371 1033 A 54 GLU HBx A 55 ASP HBy 1.0 1.8 5.0 1372 1033 A 54 GLU HBy A 55 ASP HBy 1.0 1.8 5.0 1373 1033 A 55 ASP HBx A 54 GLU HBx 1.0 1.8 5.0 1374 1033 A 54 GLU HBy A 55 ASP HBx 1.0 1.8 5.0 1375 1034 A 55 ASP H A 54 GLU HBx 1.0 1.8 4.0 1376 1034 A 55 ASP H A 54 GLU HBy 1.0 1.8 4.0 1377 1035 A 56 GLY H A 54 GLU HBx 1.0 1.8 5.5 1378 1035 A 56 GLY H A 54 GLU HBy 1.0 1.8 5.5 1379 1036 A 57 PHE HD% A 54 GLU HBx 1.0 1.8 4.5 1380 1036 A 57 PHE HD% A 54 GLU HBy 1.0 1.8 4.5 1381 1037 A 57 PHE HE% A 54 GLU HBx 1.0 1.8 4.5 1382 1037 A 54 GLU HBy A 57 PHE HE% 1.0 1.8 4.5 1383 1038 A 54 GLU H A 54 GLU HGx 1.0 1.8 5.0 1384 1038 A 54 GLU H A 54 GLU HGy 1.0 1.8 5.0 1385 1039 A 55 ASP HA A 54 GLU HGx 1.0 1.8 5.5 1386 1039 A 54 GLU HGy A 55 ASP HA 1.0 1.8 5.5 1387 1040 A 54 GLU HGy A 55 ASP HBy 1.0 1.8 5.5 1388 1040 A 54 GLU HGx A 55 ASP HBy 1.0 1.8 5.5 1389 1040 A 55 ASP HBx A 54 GLU HGx 1.0 1.8 5.5 1390 1040 A 54 GLU HGy A 55 ASP HBx 1.0 1.8 5.5 1391 1041 A 55 ASP H A 54 GLU HGx 1.0 1.8 3.5 1392 1041 A 54 GLU HGy A 55 ASP H 1.0 1.8 3.5 1393 1042 A 56 GLY H A 54 GLU HGx 1.0 1.8 6.0 1394 1042 A 56 GLY H A 54 GLU HGy 1.0 1.8 6.0 1395 1043 A 54 GLU H A 55 ASP H 1.0 1.8 5.0 1396 1044 A 56 GLY H A 54 GLU H 1.0 1.8 5.5 1397 1045 A 57 PHE H A 54 GLU H 1.0 1.8 5.5 1398 1046 A 54 GLU H A 57 PHE HD% 1.0 1.8 5.5 1399 1047 A 55 ASP H A 55 ASP HA 1.0 1.8 3.0 1400 1048 A 55 ASP HA A 56 GLY HAy 1.0 1.8 5.0 1401 1048 A 56 GLY HAx A 55 ASP HA 1.0 1.8 5.0 1402 1049 A 56 GLY H A 55 ASP HA 1.0 1.8 4.0 1403 1050 A 57 PHE H A 55 ASP HA 1.0 1.8 6.0 1404 1051 A 55 ASP H A 55 ASP HBy 1.0 1.8 4.0 1405 1051 A 55 ASP H A 55 ASP HBx 1.0 1.8 4.0 1406 1052 A 56 GLY H A 55 ASP HBy 1.0 1.8 4.0 1407 1052 A 56 GLY H A 55 ASP HBx 1.0 1.8 4.0 1408 1053 A 57 PHE H A 55 ASP HBy 1.0 1.8 5.0 1409 1053 A 57 PHE H A 55 ASP HBx 1.0 1.8 5.0 1410 1054 A 57 PHE HD% A 55 ASP HBy 1.0 1.8 5.0 1411 1054 A 57 PHE HD% A 55 ASP HBx 1.0 1.8 5.0 1412 1055 A 57 PHE HE% A 55 ASP HBy 1.0 1.8 3.5 1413 1055 A 55 ASP HBx A 57 PHE HE% 1.0 1.8 3.5 1414 1056 A 56 GLY HAx A 55 ASP H 1.0 1.8 6.0 1415 1057 A 55 ASP H A 56 GLY HAy 1.0 1.8 6.0 1416 1058 A 56 GLY H A 55 ASP H 1.0 1.8 4.0 1417 1059 A 57 PHE HD% A 55 ASP H 1.0 1.8 6.5 1418 1060 A 55 ASP H A 57 PHE HE% 1.0 1.8 6.5 1419 1061 A 57 PHE H A 55 ASP H 1.0 1.8 6.0 1420 1062 A 56 GLY H A 56 GLY HAy 1.0 1.8 3.0 1421 1062 A 56 GLY H A 56 GLY HAx 1.0 1.8 3.0 1422 1063 A 56 GLY H A 56 GLY HAx 1.0 1.8 3.5 1423 1064 A 56 GLY H A 56 GLY HAy 1.0 1.8 3.5 1424 1065 A 57 PHE H A 56 GLY HAy 1.0 1.8 3.5 1425 1065 A 57 PHE H A 56 GLY HAx 1.0 1.8 3.5 1426 1066 A 57 PHE H A 56 GLY HAx 1.0 1.8 4.0 1427 1067 A 57 PHE H A 56 GLY HAy 1.0 1.8 4.0 1428 1068 A 56 GLY H A 57 PHE HBx 1.0 1.8 5.5 1429 1068 A 56 GLY H A 57 PHE HBy 1.0 1.8 5.5 1430 1069 A 56 GLY H A 57 PHE HBx 1.0 1.8 6.5 1431 1070 A 56 GLY H A 57 PHE HBy 1.0 1.8 6.5 1432 1071 A 56 GLY H A 57 PHE HD% 1.0 1.8 4.5 1433 1072 A 56 GLY H A 57 PHE HE% 1.0 1.8 5.5 1434 1073 A 57 PHE H A 56 GLY H 1.0 1.8 3.0 1435 1074 A 57 PHE H A 57 PHE HA 1.0 1.8 3.5 1436 1075 A 57 PHE HA A 57 PHE HD% 1.0 1.8 3.0 1437 1076 A 57 PHE HA A 57 PHE HE% 1.0 1.8 5.5 1438 1077 A 57 PHE HA A 58 THR H 1.0 1.8 3.0 1439 1078 A 57 PHE HA A 70 TRP HZ3 1.0 1.8 5.5 1440 1079 A 57 PHE H A 57 PHE HBx 1.0 1.8 3.0 1441 1079 A 57 PHE H A 57 PHE HBy 1.0 1.8 3.0 1442 1080 A 57 PHE H A 57 PHE HBx 1.0 1.8 4.0 1443 1081 A 57 PHE H A 57 PHE HBy 1.0 1.8 4.0 1444 1082 A 58 THR H A 57 PHE HBx 1.0 1.8 4.0 1445 1082 A 58 THR H A 57 PHE HBy 1.0 1.8 4.0 1446 1083 A 58 THR H A 57 PHE HBx 1.0 1.8 5.0 1447 1084 A 58 THR H A 57 PHE HBy 1.0 1.8 5.0 1448 1085 A 57 PHE HD% A 57 PHE HBx 1.0 1.8 3.0 1449 1085 A 57 PHE HD% A 57 PHE HBy 1.0 1.8 3.0 1450 1086 A 57 PHE HE% A 57 PHE HBx 1.0 1.8 5.0 1451 1086 A 57 PHE HBy A 57 PHE HE% 1.0 1.8 5.0 1452 1087 A 70 TRP HE3 A 57 PHE HBx 1.0 1.8 4.5 1453 1087 A 70 TRP HE3 A 57 PHE HBy 1.0 1.8 4.5 1454 1088 A 70 TRP HE3 A 57 PHE HBx 1.0 1.8 5.5 1455 1089 A 70 TRP HE3 A 57 PHE HBy 1.0 1.8 5.5 1456 1090 A 70 TRP HZ3 A 57 PHE HBx 1.0 1.8 4.0 1457 1090 A 70 TRP HZ3 A 57 PHE HBy 1.0 1.8 4.0 1458 1091 A 70 TRP HZ3 A 57 PHE HBx 1.0 1.8 4.5 1459 1092 A 70 TRP HZ3 A 57 PHE HBy 1.0 1.8 4.5 1460 1093 A 57 PHE H A 57 PHE HD% 1.0 1.8 4.0 1461 1094 A 57 PHE H A 57 PHE HE% 1.0 1.8 6.0 1462 1095 A 58 THR HA A 57 PHE H 1.0 1.8 6.0 1463 1096 A 57 PHE H A 58 THR H 1.0 1.8 4.8 1464 1097 A 57 PHE H A 70 TRP HZ3 1.0 1.8 6.0 1465 1098 A 58 THR HA A 58 THR HB 1.0 1.8 3.5 1466 1099 A 58 THR HG2% A 58 THR HA 1.0 1.8 3.0 1467 1100 A 58 THR HA A 58 THR H 1.0 1.8 3.5 1468 1101 A 59 TYR H A 58 THR HA 1.0 1.8 3.0 1469 1102 A 59 TYR HD% A 58 THR HA 1.0 1.8 4.0 1470 1103 A 58 THR H A 58 THR HB 1.0 1.8 3.0 1471 1104 A 59 TYR H A 58 THR HB 1.0 1.8 5.0 1472 1105 A 60 TYR HE% A 58 THR HB 1.0 1.8 6.0 1473 1106 A 58 THR HG2% A 58 THR H 1.0 1.8 5.0 1474 1107 A 59 TYR H A 58 THR HG2% 1.0 1.8 4.0 1475 1108 A 60 TYR HD% A 58 THR HG2% 1.0 1.8 6.0 1476 1109 A 60 TYR HE% A 58 THR HG2% 1.0 1.8 5.0 1477 1110 A 58 THR H A 57 PHE HD% 1.0 1.8 5.0 1478 1111 A 59 TYR HD% A 58 THR H 1.0 1.8 6.5 1479 1112 A 59 TYR H A 58 THR H 1.0 1.8 4.8 1480 1113 A 58 THR H A 70 TRP HZ3 1.0 1.8 6.0 1481 1114 A 59 TYR H A 59 TYR HA 1.0 1.8 3.5 1482 1115 A 59 TYR HD% A 59 TYR HA 1.0 1.8 5.0 1483 1116 A 60 TYR HD% A 59 TYR HA 1.0 1.8 5.0 1484 1117 A 60 TYR HE% A 59 TYR HA 1.0 1.8 6.0 1485 1118 A 60 TYR H A 59 TYR HA 1.0 1.8 3.0 1486 1119 A 59 TYR HA A 70 TRP HA 1.0 1.8 3.5 1487 1120 A 70 TRP HE3 A 59 TYR HA 1.0 1.8 4.5 1488 1121 A 70 TRP HZ3 A 59 TYR HA 1.0 1.8 5.5 1489 1122 A 59 TYR H A 59 TYR HBx 1.0 1.8 3.5 1490 1122 A 59 TYR H A 59 TYR HBy 1.0 1.8 3.5 1491 1123 A 60 TYR H A 59 TYR HBx 1.0 1.8 3.5 1492 1123 A 60 TYR H A 59 TYR HBy 1.0 1.8 3.5 1493 1124 A 69 ARG H A 59 TYR HBx 1.0 1.8 5.0 1494 1124 A 69 ARG H A 59 TYR HBy 1.0 1.8 5.0 1495 1125 A 70 TRP HE3 A 59 TYR HBx 1.0 1.8 4.0 1496 1125 A 59 TYR HBy A 70 TRP HE3 1.0 1.8 4.0 1497 1126 A 70 TRP HZ3 A 59 TYR HBx 1.0 1.8 4.0 1498 1126 A 59 TYR HBy A 70 TRP HZ3 1.0 1.8 4.0 1499 1127 A 70 TRP HA A 59 TYR HBx 1.0 1.8 4.0 1500 1127 A 59 TYR HBy A 70 TRP HA 1.0 1.8 4.0 1501 1128 A 59 TYR H A 59 TYR HD% 1.0 1.8 3.0 1502 1129 A 59 TYR H A 59 TYR HE% 1.0 1.8 5.0 1503 1130 A 60 TYR H A 59 TYR HD% 1.0 1.8 4.5 1504 1131 A 60 TYR H A 59 TYR HE% 1.0 1.8 6.5 1505 1132 A 61 TYR HA A 59 TYR HE% 1.0 1.8 5.5 1506 1133 A 59 TYR HE% A 61 TYR HBx 1.0 1.8 3.5 1507 1133 A 61 TYR HBy A 59 TYR HE% 1.0 1.8 3.5 1508 1134 A 61 TYR H A 59 TYR HD% 1.0 1.8 5.5 1509 1135 A 61 TYR H A 59 TYR HE% 1.0 1.8 5.5 1510 1136 A 68 SER HA A 59 TYR HD% 1.0 1.8 5.5 1511 1137 A 68 SER HA A 59 TYR HE% 1.0 1.8 6.5 1512 1138 A 59 TYR HD% A 68 SER HBx 1.0 1.8 4.5 1513 1138 A 59 TYR HD% A 68 SER HBy 1.0 1.8 4.5 1514 1139 A 59 TYR HE% A 68 SER HBx 1.0 1.8 4.5 1515 1139 A 59 TYR HE% A 68 SER HBy 1.0 1.8 4.5 1516 1140 A 69 ARG H A 59 TYR HD% 1.0 1.8 4.5 1517 1141 A 69 ARG H A 59 TYR HE% 1.0 1.8 6.0 1518 1142 A 60 TYR HD% A 59 TYR H 1.0 1.8 6.5 1519 1143 A 60 TYR H A 59 TYR H 1.0 1.8 4.8 1520 1144 A 59 TYR H A 70 TRP HE3 1.0 1.8 6.5 1521 1145 A 59 TYR H A 70 TRP HZ3 1.0 1.8 6.5 1522 1146 A 60 TYR HA A 60 TYR H 1.0 1.8 3.5 1523 1147 A 60 TYR HD% A 60 TYR HA 1.0 1.8 3.0 1524 1148 A 60 TYR HA A 60 TYR HE% 1.0 1.8 5.5 1525 1149 A 61 TYR H A 60 TYR HA 1.0 1.8 3.0 1526 1150 A 60 TYR H A 60 TYR HBx 1.0 1.8 3.0 1527 1150 A 60 TYR HBy A 60 TYR H 1.0 1.8 3.0 1528 1151 A 60 TYR H A 60 TYR HBx 1.0 1.8 4.0 1529 1152 A 60 TYR HBy A 60 TYR H 1.0 1.8 4.0 1530 1153 A 61 TYR H A 60 TYR HBx 1.0 1.8 4.0 1531 1153 A 61 TYR H A 60 TYR HBy 1.0 1.8 4.0 1532 1154 A 61 TYR H A 60 TYR HBx 1.0 1.8 5.0 1533 1155 A 61 TYR H A 60 TYR HBy 1.0 1.8 5.0 1534 1156 A 69 ARG H A 60 TYR HBx 1.0 1.8 5.0 1535 1156 A 60 TYR HBy A 69 ARG H 1.0 1.8 5.0 1536 1157 A 69 ARG H A 60 TYR HBx 1.0 1.8 6.5 1537 1158 A 60 TYR HBy A 69 ARG H 1.0 1.8 6.5 1538 1159 A 60 TYR HD% A 60 TYR H 1.0 1.8 3.5 1539 1160 A 60 TYR H A 60 TYR HE% 1.0 1.8 5.5 1540 1161 A 61 TYR H A 60 TYR HD% 1.0 1.8 5.5 1541 1162 A 60 TYR HD% A 70 TRP H 1.0 1.8 6.5 1542 1163 A 60 TYR HD% A 70 TRP HA 1.0 1.8 5.5 1543 1164 A 60 TYR HE% A 70 TRP HA 1.0 1.8 6.5 1544 1165 A 60 TYR HD% A 71 GLU HA 1.0 1.8 5.5 1545 1166 A 60 TYR HE% A 71 GLU HA 1.0 1.8 5.5 1546 1167 A 60 TYR HD% A 71 GLU H 1.0 1.8 5.5 1547 1168 A 60 TYR HE% A 71 GLU H 1.0 1.8 6.5 1548 1169 A 60 TYR HD% A 72 LYS HA 1.0 1.8 3.0 1549 1170 A 60 TYR HE% A 72 LYS HA 1.0 1.8 3.5 1550 1171 A 60 TYR HD% A 72 LYS HBx 1.0 1.8 5.5 1551 1171 A 60 TYR HD% A 72 LYS HBy 1.0 1.8 5.5 1552 1172 A 60 TYR HE% A 72 LYS HBx 1.0 1.8 3.5 1553 1172 A 60 TYR HE% A 72 LYS HBy 1.0 1.8 3.5 1554 1173 A 60 TYR HD% A 72 LYS H 1.0 1.8 5.0 1555 1174 A 60 TYR HE% A 72 LYS H 1.0 1.8 4.0 1556 1175 A 60 TYR H A 61 TYR HA 1.0 1.8 5.5 1557 1176 A 61 TYR H A 60 TYR H 1.0 1.8 4.8 1558 1177 A 60 TYR H A 68 SER HA 1.0 1.8 6.5 1559 1178 A 60 TYR H A 68 SER HBx 1.0 1.8 7.0 1560 1178 A 60 TYR H A 68 SER HBy 1.0 1.8 7.0 1561 1179 A 60 TYR H A 69 ARG HGx 1.0 1.8 6.0 1562 1179 A 60 TYR H A 69 ARG HGy 1.0 1.8 6.0 1563 1180 A 60 TYR H A 69 ARG HGx 1.0 1.8 6.5 1564 1181 A 60 TYR H A 69 ARG HGy 1.0 1.8 6.5 1565 1182 A 60 TYR H A 69 ARG H 1.0 1.8 4.0 1566 1183 A 60 TYR H A 70 TRP HA 1.0 1.8 4.5 1567 1184 A 60 TYR H A 70 TRP H 1.0 1.8 6.0 1568 1185 A 60 TYR H A 70 TRP HE3 1.0 1.8 6.5 1569 1186 A 61 TYR HD% A 61 TYR HA 1.0 1.8 3.5 1570 1187 A 61 TYR HA A 61 TYR HE% 1.0 1.8 6.5 1571 1188 A 61 TYR H A 61 TYR HA 1.0 1.8 3.5 1572 1189 A 62 ASN H A 61 TYR HA 1.0 1.8 3.0 1573 1190 A 61 TYR HA A 67 GLU H 1.0 1.8 6.0 1574 1191 A 61 TYR HA A 68 SER HA 1.0 1.8 3.0 1575 1192 A 61 TYR HA A 68 SER HBx 1.0 1.8 5.0 1576 1192 A 61 TYR HA A 68 SER HBy 1.0 1.8 5.0 1577 1193 A 61 TYR HA A 68 SER H 1.0 1.8 6.0 1578 1194 A 61 TYR HA A 69 ARG H 1.0 1.8 4.0 1579 1195 A 61 TYR H A 61 TYR HBx 1.0 1.8 3.0 1580 1195 A 61 TYR H A 61 TYR HBy 1.0 1.8 3.0 1581 1196 A 61 TYR HE% A 61 TYR HBx 1.0 1.8 5.0 1582 1196 A 61 TYR HBy A 61 TYR HE% 1.0 1.8 5.0 1583 1197 A 62 ASN H A 61 TYR HBx 1.0 1.8 4.5 1584 1197 A 62 ASN H A 61 TYR HBy 1.0 1.8 4.5 1585 1198 A 68 SER HA A 61 TYR HBx 1.0 1.8 4.5 1586 1198 A 68 SER HA A 61 TYR HBy 1.0 1.8 4.5 1587 1199 A 61 TYR HBy A 68 SER HBx 1.0 1.8 5.0 1588 1199 A 61 TYR HBx A 68 SER HBx 1.0 1.8 5.0 1589 1199 A 68 SER HBy A 61 TYR HBx 1.0 1.8 5.0 1590 1199 A 61 TYR HBy A 68 SER HBy 1.0 1.8 5.0 1591 1200 A 69 ARG H A 61 TYR HBx 1.0 1.8 5.0 1592 1200 A 69 ARG H A 61 TYR HBy 1.0 1.8 5.0 1593 1201 A 61 TYR H A 61 TYR HD% 1.0 1.8 4.5 1594 1202 A 61 TYR HD% A 62 ASN HA 1.0 1.8 5.5 1595 1203 A 62 ASN HA A 61 TYR HE% 1.0 1.8 6.5 1596 1204 A 61 TYR HD% A 62 ASN H 1.0 1.8 4.0 1597 1205 A 62 ASN H A 61 TYR HE% 1.0 1.8 5.5 1598 1206 A 61 TYR HD% A 63 THR HA 1.0 1.8 5.0 1599 1207 A 61 TYR HE% A 63 THR HA 1.0 1.8 3.0 1600 1208 A 61 TYR HD% A 63 THR HB 1.0 1.8 6.0 1601 1209 A 61 TYR HE% A 63 THR HB 1.0 1.8 4.5 1602 1210 A 61 TYR HD% A 63 THR HG2% 1.0 1.8 3.5 1603 1211 A 63 THR HG2% A 61 TYR HE% 1.0 1.8 3.5 1604 1212 A 63 THR H A 61 TYR HD% 1.0 1.8 5.0 1605 1213 A 63 THR H A 61 TYR HE% 1.0 1.8 5.5 1606 1214 A 61 TYR HD% A 66 GLY HAy 1.0 1.8 5.0 1607 1214 A 61 TYR HD% A 66 GLY HAx 1.0 1.8 5.0 1608 1215 A 61 TYR HE% A 66 GLY HAy 1.0 1.8 3.0 1609 1215 A 61 TYR HE% A 66 GLY HAx 1.0 1.8 3.0 1610 1216 A 61 TYR HE% A 66 GLY HAx 1.0 1.8 4.0 1611 1217 A 61 TYR HE% A 66 GLY HAy 1.0 1.8 4.0 1612 1218 A 61 TYR HE% A 66 GLY H 1.0 1.8 5.5 1613 1219 A 61 TYR HD% A 67 GLU H 1.0 1.8 5.5 1614 1220 A 67 GLU H A 61 TYR HE% 1.0 1.8 5.5 1615 1221 A 61 TYR HD% A 68 SER HA 1.0 1.8 5.0 1616 1222 A 61 TYR HD% A 68 SER HBx 1.0 1.8 4.5 1617 1222 A 61 TYR HD% A 68 SER HBy 1.0 1.8 4.5 1618 1223 A 61 TYR HD% A 68 SER H 1.0 1.8 6.0 1619 1224 A 61 TYR H A 62 ASN H 1.0 1.8 4.8 1620 1225 A 61 TYR H A 68 SER HA 1.0 1.8 6.0 1621 1226 A 62 ASN HA A 62 ASN H 1.0 1.8 3.5 1622 1227 A 63 THR H A 62 ASN HA 1.0 1.8 3.0 1623 1228 A 62 ASN HA A 67 GLU H 1.0 1.8 5.5 1624 1229 A 62 ASN H A 62 ASN HBx 1.0 1.8 3.0 1625 1229 A 62 ASN H A 62 ASN HBy 1.0 1.8 3.0 1626 1230 A 63 THR H A 62 ASN HBx 1.0 1.8 5.0 1627 1230 A 63 THR H A 62 ASN HBy 1.0 1.8 5.0 1628 1231 A 65 THR HG2% A 62 ASN HBx 1.0 1.8 4.5 1629 1231 A 62 ASN HBy A 65 THR HG2% 1.0 1.8 4.5 1630 1232 A 65 THR H A 62 ASN HBx 1.0 1.8 4.5 1631 1232 A 65 THR H A 62 ASN HBy 1.0 1.8 4.5 1632 1233 A 66 GLY H A 62 ASN HBx 1.0 1.8 4.0 1633 1233 A 62 ASN HBy A 66 GLY H 1.0 1.8 4.0 1634 1234 A 62 ASN HBy A 67 GLU HBx 1.0 1.8 4.5 1635 1234 A 62 ASN HBx A 67 GLU HBx 1.0 1.8 4.5 1636 1234 A 67 GLU HBy A 62 ASN HBx 1.0 1.8 4.5 1637 1234 A 62 ASN HBy A 67 GLU HBy 1.0 1.8 4.5 1638 1235 A 67 GLU H A 62 ASN HBx 1.0 1.8 3.0 1639 1235 A 62 ASN HBy A 67 GLU H 1.0 1.8 3.0 1640 1236 A 63 THR H A 62 ASN H 1.0 1.8 4.8 1641 1237 A 62 ASN H A 67 GLU HA 1.0 1.8 5.5 1642 1238 A 62 ASN H A 67 GLU HBx 1.0 1.8 5.0 1643 1238 A 62 ASN H A 67 GLU HBy 1.0 1.8 5.0 1644 1239 A 62 ASN H A 67 GLU H 1.0 1.8 3.5 1645 1240 A 62 ASN H A 68 SER HA 1.0 1.8 4.0 1646 1241 A 62 ASN H A 68 SER HBx 1.0 1.8 5.5 1647 1241 A 62 ASN H A 68 SER HBy 1.0 1.8 5.5 1648 1242 A 62 ASN H A 68 SER H 1.0 1.8 5.5 1649 1243 A 62 ASN H A 69 ARG H 1.0 1.8 6.0 1650 1244 A 63 THR HA A 63 THR HB 1.0 1.8 3.0 1651 1245 A 63 THR HG2% A 63 THR HA 1.0 1.8 3.0 1652 1246 A 63 THR H A 63 THR HA 1.0 1.8 3.5 1653 1247 A 64 GLU H A 63 THR HA 1.0 1.8 4.0 1654 1248 A 65 THR H A 63 THR HA 1.0 1.8 5.5 1655 1249 A 63 THR HA A 66 GLY HAy 1.0 1.8 4.0 1656 1249 A 63 THR HA A 66 GLY HAx 1.0 1.8 4.0 1657 1250 A 63 THR HA A 66 GLY HAx 1.0 1.8 6.0 1658 1251 A 63 THR HA A 66 GLY HAy 1.0 1.8 6.0 1659 1252 A 63 THR HA A 66 GLY H 1.0 1.8 5.0 1660 1253 A 67 GLU H A 63 THR HA 1.0 1.8 6.0 1661 1254 A 63 THR H A 63 THR HB 1.0 1.8 4.0 1662 1255 A 64 GLU H A 63 THR HB 1.0 1.8 5.0 1663 1256 A 63 THR H A 63 THR HG2% 1.0 1.8 3.0 1664 1257 A 64 GLU H A 63 THR HG2% 1.0 1.8 4.5 1665 1258 A 63 THR H A 64 GLU H 1.0 1.8 3.0 1666 1259 A 63 THR H A 65 THR H 1.0 1.8 5.5 1667 1260 A 63 THR H A 66 GLY H 1.0 1.8 5.5 1668 1261 A 63 THR H A 67 GLU H 1.0 1.8 6.0 1669 1262 A 64 GLU HA A 64 GLU HGx 1.0 1.8 3.0 1670 1262 A 64 GLU HA A 64 GLU HGy 1.0 1.8 3.0 1671 1263 A 64 GLU HA A 64 GLU HGx 1.0 1.8 3.5 1672 1264 A 64 GLU HA A 64 GLU HGy 1.0 1.8 3.5 1673 1265 A 64 GLU H A 64 GLU HA 1.0 1.8 3.5 1674 1266 A 64 GLU HA A 65 THR H 1.0 1.8 4.0 1675 1267 A 64 GLU HA A 66 GLY H 1.0 1.8 5.5 1676 1268 A 64 GLU H A 64 GLU HBx 1.0 1.8 3.0 1677 1268 A 64 GLU H A 64 GLU HBy 1.0 1.8 3.0 1678 1269 A 64 GLU H A 64 GLU HBx 1.0 1.8 3.5 1679 1270 A 64 GLU H A 64 GLU HBy 1.0 1.8 3.5 1680 1271 A 65 THR HA A 64 GLU HBx 1.0 1.8 5.5 1681 1271 A 64 GLU HBy A 65 THR HA 1.0 1.8 5.5 1682 1272 A 65 THR H A 64 GLU HBx 1.0 1.8 3.0 1683 1272 A 64 GLU HBy A 65 THR H 1.0 1.8 3.0 1684 1273 A 65 THR H A 64 GLU HBx 1.0 1.8 4.0 1685 1274 A 64 GLU HBy A 65 THR H 1.0 1.8 4.0 1686 1275 A 66 GLY H A 64 GLU HBx 1.0 1.8 5.5 1687 1275 A 64 GLU HBy A 66 GLY H 1.0 1.8 5.5 1688 1276 A 65 THR HG2% A 64 GLU HBx 1.0 1.8 5.0 1689 1276 A 64 GLU HBy A 65 THR HG2% 1.0 1.8 5.0 1690 1277 A 64 GLU H A 64 GLU HGx 1.0 1.8 5.0 1691 1278 A 64 GLU H A 64 GLU HGy 1.0 1.8 5.0 1692 1279 A 65 THR H A 64 GLU HGx 1.0 1.8 3.5 1693 1279 A 65 THR H A 64 GLU HGy 1.0 1.8 3.5 1694 1280 A 65 THR H A 64 GLU HGx 1.0 1.8 5.0 1695 1281 A 65 THR H A 64 GLU HGy 1.0 1.8 5.0 1696 1282 A 64 GLU H A 65 THR HG2% 1.0 1.8 5.5 1697 1283 A 64 GLU H A 65 THR H 1.0 1.8 3.0 1698 1284 A 64 GLU H A 66 GLY HAy 1.0 1.8 6.5 1699 1284 A 64 GLU H A 66 GLY HAx 1.0 1.8 6.5 1700 1285 A 64 GLU H A 66 GLY H 1.0 1.8 5.0 1701 1286 A 64 GLU H A 67 GLU H 1.0 1.8 6.5 1702 1287 A 65 THR HA A 65 THR HB 1.0 1.8 3.0 1703 1288 A 65 THR HG2% A 65 THR HA 1.0 1.8 4.0 1704 1289 A 65 THR H A 65 THR HA 1.0 1.8 3.5 1705 1290 A 66 GLY H A 65 THR HA 1.0 1.8 4.0 1706 1291 A 65 THR H A 65 THR HB 1.0 1.8 4.0 1707 1292 A 66 GLY H A 65 THR HB 1.0 1.8 5.0 1708 1293 A 65 THR H A 65 THR HG2% 1.0 1.8 3.0 1709 1294 A 66 GLY H A 65 THR HG2% 1.0 1.8 5.0 1710 1295 A 67 GLU H A 65 THR HG2% 1.0 1.8 6.0 1711 1296 A 65 THR HG2% A 67 GLU HBx 1.0 1.8 6.0 1712 1296 A 67 GLU HBy A 65 THR HG2% 1.0 1.8 6.0 1713 1297 A 65 THR H A 66 GLY HAy 1.0 1.8 5.0 1714 1297 A 65 THR H A 66 GLY HAx 1.0 1.8 5.0 1715 1298 A 65 THR H A 66 GLY HAx 1.0 1.8 5.5 1716 1299 A 65 THR H A 66 GLY HAy 1.0 1.8 5.5 1717 1300 A 65 THR H A 66 GLY H 1.0 1.8 3.0 1718 1301 A 65 THR H A 67 GLU H 1.0 1.8 4.5 1719 1302 A 66 GLY H A 66 GLY HAy 1.0 1.8 3.0 1720 1302 A 66 GLY HAx A 66 GLY H 1.0 1.8 3.0 1721 1303 A 66 GLY HAx A 66 GLY H 1.0 1.8 3.5 1722 1304 A 66 GLY H A 66 GLY HAy 1.0 1.8 3.5 1723 1305 A 67 GLU H A 66 GLY HAy 1.0 1.8 3.0 1724 1305 A 67 GLU H A 66 GLY HAx 1.0 1.8 3.0 1725 1306 A 67 GLU H A 66 GLY HAx 1.0 1.8 4.0 1726 1307 A 67 GLU H A 66 GLY HAy 1.0 1.8 4.0 1727 1308 A 66 GLY H A 67 GLU HBx 1.0 1.8 5.5 1728 1308 A 67 GLU HBy A 66 GLY H 1.0 1.8 5.5 1729 1309 A 67 GLU H A 66 GLY H 1.0 1.8 3.0 1730 1310 A 67 GLU H A 67 GLU HA 1.0 1.8 3.5 1731 1311 A 68 SER H A 67 GLU HA 1.0 1.8 3.0 1732 1312 A 67 GLU H A 67 GLU HBx 1.0 1.8 3.0 1733 1312 A 67 GLU H A 67 GLU HBy 1.0 1.8 3.0 1734 1313 A 68 SER H A 67 GLU HBx 1.0 1.8 5.0 1735 1313 A 67 GLU HBy A 68 SER H 1.0 1.8 5.0 1736 1314 A 67 GLU H A 67 GLU HGx 1.0 1.8 5.0 1737 1315 A 67 GLU H A 67 GLU HGy 1.0 1.8 5.0 1738 1316 A 68 SER H A 67 GLU HGx 1.0 1.8 3.5 1739 1317 A 68 SER H A 67 GLU HGy 1.0 1.8 3.5 1740 1318 A 67 GLU H A 68 SER HA 1.0 1.8 6.0 1741 1319 A 67 GLU H A 68 SER H 1.0 1.8 4.8 1742 1320 A 68 SER HA A 68 SER HBx 1.0 1.8 3.0 1743 1320 A 68 SER HA A 68 SER HBy 1.0 1.8 3.0 1744 1321 A 68 SER HA A 68 SER H 1.0 1.8 3.5 1745 1322 A 68 SER HA A 69 ARG H 1.0 1.8 3.0 1746 1323 A 68 SER H A 68 SER HBx 1.0 1.8 4.0 1747 1323 A 68 SER HBy A 68 SER H 1.0 1.8 4.0 1748 1324 A 69 ARG H A 68 SER HBx 1.0 1.8 3.0 1749 1324 A 69 ARG H A 68 SER HBy 1.0 1.8 3.0 1750 1325 A 68 SER H A 69 ARG HBx 1.0 1.8 5.5 1751 1325 A 69 ARG HBy A 68 SER H 1.0 1.8 5.5 1752 1326 A 69 ARG H A 68 SER H 1.0 1.8 4.8 1753 1327 A 69 ARG HA A 69 ARG HGx 1.0 1.8 3.0 1754 1327 A 69 ARG HGy A 69 ARG HA 1.0 1.8 3.0 1755 1328 A 69 ARG HA A 69 ARG HDx 1.0 1.8 5.0 1756 1328 A 69 ARG HA A 69 ARG HDy 1.0 1.8 5.0 1757 1329 A 69 ARG H A 69 ARG HA 1.0 1.8 3.5 1758 1330 A 69 ARG HA A 70 TRP HD1 1.0 1.8 5.5 1759 1331 A 70 TRP H A 69 ARG HA 1.0 1.8 3.0 1760 1332 A 71 GLU H A 69 ARG HA 1.0 1.8 5.0 1761 1333 A 69 ARG H A 69 ARG HBx 1.0 1.8 3.5 1762 1333 A 69 ARG HBy A 69 ARG H 1.0 1.8 3.5 1763 1334 A 69 ARG H A 69 ARG HBx 1.0 1.8 4.0 1764 1335 A 69 ARG HBy A 69 ARG H 1.0 1.8 4.0 1765 1336 A 69 ARG HBy A 69 ARG HDx 1.0 1.8 3.0 1766 1336 A 69 ARG HBx A 69 ARG HDx 1.0 1.8 3.0 1767 1336 A 69 ARG HDy A 69 ARG HBx 1.0 1.8 3.0 1768 1336 A 69 ARG HBy A 69 ARG HDy 1.0 1.8 3.0 1769 1337 A 70 TRP H A 69 ARG HBx 1.0 1.8 4.0 1770 1337 A 69 ARG HBy A 70 TRP H 1.0 1.8 4.0 1771 1338 A 70 TRP H A 69 ARG HBx 1.0 1.8 5.0 1772 1339 A 69 ARG HBy A 70 TRP H 1.0 1.8 5.0 1773 1340 A 71 GLU H A 69 ARG HBx 1.0 1.8 5.5 1774 1340 A 69 ARG HBy A 71 GLU H 1.0 1.8 5.5 1775 1341 A 71 GLU H A 69 ARG HBx 1.0 1.8 6.0 1776 1342 A 69 ARG HBy A 71 GLU H 1.0 1.8 6.0 1777 1343 A 69 ARG H A 69 ARG HGx 1.0 1.8 5.0 1778 1344 A 69 ARG H A 69 ARG HGy 1.0 1.8 5.0 1779 1345 A 70 TRP H A 69 ARG HGx 1.0 1.8 3.0 1780 1345 A 70 TRP H A 69 ARG HGy 1.0 1.8 3.0 1781 1346 A 70 TRP H A 69 ARG HGx 1.0 1.8 4.0 1782 1347 A 70 TRP H A 69 ARG HGy 1.0 1.8 4.0 1783 1348 A 71 GLU H A 69 ARG HGx 1.0 1.8 3.0 1784 1348 A 71 GLU H A 69 ARG HGy 1.0 1.8 3.0 1785 1349 A 71 GLU H A 69 ARG HGx 1.0 1.8 3.5 1786 1350 A 71 GLU H A 69 ARG HGy 1.0 1.8 3.5 1787 1351 A 70 TRP H A 69 ARG HDx 1.0 1.8 5.5 1788 1351 A 70 TRP H A 69 ARG HDy 1.0 1.8 5.5 1789 1352 A 71 GLU H A 69 ARG HDx 1.0 1.8 6.0 1790 1352 A 71 GLU H A 69 ARG HDy 1.0 1.8 6.0 1791 1353 A 69 ARG H A 70 TRP H 1.0 1.8 4.8 1792 1354 A 70 TRP HA A 70 TRP HD1 1.0 1.8 5.5 1793 1355 A 70 TRP HE3 A 70 TRP HA 1.0 1.8 4.0 1794 1356 A 70 TRP HZ3 A 70 TRP HA 1.0 1.8 6.0 1795 1357 A 70 TRP HA A 70 TRP H 1.0 1.8 3.5 1796 1358 A 70 TRP HA A 71 GLU H 1.0 1.8 4.0 1797 1359 A 70 TRP HD1 A 70 TRP HBx 1.0 1.8 3.0 1798 1359 A 70 TRP HD1 A 70 TRP HBy 1.0 1.8 3.0 1799 1360 A 70 TRP HD1 A 70 TRP HBx 1.0 1.8 4.0 1800 1361 A 70 TRP HD1 A 70 TRP HBy 1.0 1.8 4.0 1801 1362 A 70 TRP HE3 A 70 TRP HBx 1.0 1.8 3.0 1802 1362 A 70 TRP HE3 A 70 TRP HBy 1.0 1.8 3.0 1803 1363 A 70 TRP HE3 A 70 TRP HBx 1.0 1.8 4.5 1804 1364 A 70 TRP HE3 A 70 TRP HBy 1.0 1.8 4.5 1805 1365 A 70 TRP H A 70 TRP HBx 1.0 1.8 3.0 1806 1365 A 70 TRP H A 70 TRP HBy 1.0 1.8 3.0 1807 1366 A 70 TRP H A 70 TRP HBx 1.0 1.8 4.0 1808 1367 A 70 TRP H A 70 TRP HBy 1.0 1.8 4.0 1809 1368 A 71 GLU H A 70 TRP HBx 1.0 1.8 4.0 1810 1368 A 71 GLU H A 70 TRP HBy 1.0 1.8 4.0 1811 1369 A 71 GLU H A 70 TRP HBx 1.0 1.8 4.5 1812 1370 A 71 GLU H A 70 TRP HBy 1.0 1.8 4.5 1813 1371 A 70 TRP HBx A 71 GLU HBx 1.0 1.8 5.5 1814 1371 A 70 TRP HBy A 71 GLU HBx 1.0 1.8 5.5 1815 1371 A 71 GLU HBy A 70 TRP HBx 1.0 1.8 5.5 1816 1371 A 70 TRP HBy A 71 GLU HBy 1.0 1.8 5.5 1817 1372 A 70 TRP HBx A 71 GLU HGy 1.0 1.8 5.5 1818 1372 A 70 TRP HBy A 71 GLU HGy 1.0 1.8 5.5 1819 1372 A 71 GLU HGx A 70 TRP HBx 1.0 1.8 5.5 1820 1372 A 70 TRP HBy A 71 GLU HGx 1.0 1.8 5.5 1821 1373 A 70 TRP H A 70 TRP HD1 1.0 1.8 4.0 1822 1374 A 71 GLU H A 70 TRP HD1 1.0 1.8 5.5 1823 1375 A 70 TRP H A 70 TRP HE1 1.0 1.8 6.5 1824 1376 A 70 TRP HE3 A 70 TRP H 1.0 1.8 6.5 1825 1377 A 70 TRP H A 71 GLU HA 1.0 1.8 6.0 1826 1378 A 70 TRP H A 71 GLU HBx 1.0 1.8 5.0 1827 1378 A 70 TRP H A 71 GLU HBy 1.0 1.8 5.0 1828 1379 A 70 TRP H A 71 GLU H 1.0 1.8 3.0 1829 1380 A 71 GLU HA A 71 GLU HGy 1.0 1.8 3.0 1830 1380 A 71 GLU HA A 71 GLU HGx 1.0 1.8 3.0 1831 1381 A 71 GLU HA A 71 GLU H 1.0 1.8 3.5 1832 1382 A 71 GLU HA A 72 LYS H 1.0 1.8 3.0 1833 1383 A 71 GLU H A 71 GLU HBx 1.0 1.8 3.0 1834 1383 A 71 GLU H A 71 GLU HBy 1.0 1.8 3.0 1835 1384 A 71 GLU H A 71 GLU HBx 1.0 1.8 4.0 1836 1385 A 71 GLU H A 71 GLU HBy 1.0 1.8 4.0 1837 1386 A 72 LYS H A 71 GLU HBx 1.0 1.8 3.5 1838 1386 A 72 LYS H A 71 GLU HBy 1.0 1.8 3.5 1839 1387 A 72 LYS H A 71 GLU HBx 1.0 1.8 4.5 1840 1388 A 72 LYS H A 71 GLU HBy 1.0 1.8 4.5 1841 1389 A 71 GLU H A 71 GLU HGy 1.0 1.8 4.0 1842 1389 A 71 GLU H A 71 GLU HGx 1.0 1.8 4.0 1843 1390 A 72 LYS H A 71 GLU HGy 1.0 1.8 4.5 1844 1390 A 72 LYS H A 71 GLU HGx 1.0 1.8 4.5 1845 1391 A 71 GLU H A 72 LYS H 1.0 1.8 5.5 1846 1392 A 72 LYS HA A 72 LYS H 1.0 1.8 3.5 1847 1393 A 72 LYS H A 72 LYS HBx 1.0 1.8 3.0 1848 1393 A 72 LYS HBy A 72 LYS H 1.0 1.8 3.0 1849 1394 A 72 LYS H A 72 LYS HGx 1.0 1.8 5.0 1850 1394 A 72 LYS H A 72 LYS HGy 1.0 1.8 5.0 1851 1395 A 72 LYS H A 72 LYS HDx 1.0 1.8 5.5 1852 1395 A 72 LYS H A 72 LYS HDy 1.0 1.8 5.5 1853 1396 A 73 PRO HA A 74 ASP H 1.0 1.8 3.0 1854 1397 A 74 ASP H A 73 PRO HBy 1.0 1.8 4.5 1855 1397 A 73 PRO HBx A 74 ASP H 1.0 1.8 4.5 1856 1398 A 74 ASP H A 74 ASP HA 1.0 1.8 3.5 1857 1399 A 74 ASP HA A 75 ASP H 1.0 1.8 3.0 1858 1400 A 74 ASP H A 74 ASP HBx 1.0 1.8 3.0 1859 1400 A 74 ASP H A 74 ASP HBy 1.0 1.8 3.0 1860 1401 A 75 ASP H A 74 ASP HBx 1.0 1.8 4.5 1861 1401 A 75 ASP H A 74 ASP HBy 1.0 1.8 4.5 1862 1402 A 74 ASP H A 75 ASP H 1.0 1.8 5.5 1863 1403 A 75 ASP H A 75 ASP HA 1.0 1.8 3.5 1864 1404 A 75 ASP H A 75 ASP HBy 1.0 1.8 3.5 1865 1404 A 75 ASP H A 75 ASP HBx 1.0 1.8 3.5 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 6 ARG C A 7 TRP N A 7 TRP CA A 7 TRP C 1.0 -128.13 -74.41 PHI 2 2 A 7 TRP N A 7 TRP CA A 7 TRP C A 8 VAL N 1.0 124.80 159.84 PSI 3 3 A 7 TRP C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -132.13 -78.07 PHI 4 4 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 GLU N 1.0 128.43 154.01 PSI 5 5 A 8 VAL C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -140.10 -90.94 PHI 6 6 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 GLY N 1.0 130.16 157.44 PSI 7 7 A 9 GLU C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 -135.10 -77.18 PHI 8 8 A 10 GLY N A 10 GLY CA A 10 GLY C A 11 ILE N 1.0 126.53 148.23 PSI 9 9 A 10 GLY C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -106.43 -70.35 PHI 10 10 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 THR N 1.0 105.96 156.76 PSI 11 11 A 11 ILE C A 12 THR N A 12 THR CA A 12 THR C 1.0 -132.94 -90.26 PHI 12 12 A 12 THR N A 12 THR CA A 12 THR C A 13 SER N 1.0 131.46 161.50 PSI 13 13 A 16 TYR C A 17 HIS N A 17 HIS CA A 17 HIS C 1.0 -116.81 -70.47 PHI 14 14 A 17 HIS N A 17 HIS CA A 17 HIS C A 18 TYR N 1.0 117.38 150.74 PSI 15 15 A 17 HIS C A 18 TYR N A 18 TYR CA A 18 TYR C 1.0 -110.50 -66.10 PHI 16 16 A 18 TYR N A 18 TYR CA A 18 TYR C A 19 TYR N 1.0 124.89 150.67 PSI 17 17 A 18 TYR C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -156.49 -124.99 PHI 18 18 A 19 TYR N A 19 TYR CA A 19 TYR C A 20 TYR N 1.0 149.85 174.55 PSI 19 19 A 19 TYR C A 20 TYR N A 20 TYR CA A 20 TYR C 1.0 -135.97 -107.11 PHI 20 20 A 20 TYR N A 20 TYR CA A 20 TYR C A 21 ASP N 1.0 122.53 154.35 PSI 21 21 A 20 TYR C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -149.24 -110.64 PHI 22 22 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 LEU N 1.0 122.13 166.65 PSI 23 23 A 21 ASP C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -85.55 -64.25 PHI 24 24 A 26 ALA C A 27 SER N A 27 SER CA A 27 SER C 1.0 -114.18 -61.30 PHI 25 25 A 27 SER N A 27 SER CA A 27 SER C A 28 GLN N 1.0 130.97 166.25 PSI 26 26 A 27 SER C A 28 GLN N A 28 GLN CA A 28 GLN C 1.0 -135.94 -107.46 PHI 27 27 A 28 GLN N A 28 GLN CA A 28 GLN C A 29 TRP N 1.0 142.32 168.02 PSI 28 28 A 28 GLN C A 29 TRP N A 29 TRP CA A 29 TRP C 1.0 -162.23 -127.87 PHI 29 29 A 47 VAL C A 48 TRP N A 48 TRP CA A 48 TRP C 1.0 -146.00 -70.00 PHI 30 30 A 48 TRP N A 48 TRP CA A 48 TRP C A 49 VAL N 1.0 121.00 145.00 PSI 31 31 A 48 TRP C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -126.00 -78.00 PHI 32 32 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 GLU N 1.0 132.00 160.00 PSI 33 33 A 49 VAL C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -139.00 -91.00 PHI 34 34 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 GLY N 1.0 123.00 153.00 PSI 35 35 A 50 GLU C A 51 GLY N A 51 GLY CA A 51 GLY C 1.0 -118.00 -74.00 PHI 36 36 A 51 GLY N A 51 GLY CA A 51 GLY C A 52 LEU N 1.0 116.00 160.00 PSI 37 37 A 51 GLY C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -113.00 -63.00 PHI 38 38 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 SER N 1.0 105.00 155.00 PSI 39 39 A 52 LEU C A 53 SER N A 53 SER CA A 53 SER C 1.0 -142.66 -105.66 PHI 40 40 A 53 SER N A 53 SER CA A 53 SER C A 54 GLU N 1.0 125.07 151.51 PSI 41 41 A 57 PHE C A 58 THR N A 58 THR CA A 58 THR C 1.0 -102.00 -72.00 PHI 42 42 A 58 THR N A 58 THR CA A 58 THR C A 59 TYR N 1.0 121.00 147.00 PSI 43 43 A 58 THR C A 59 TYR N A 59 TYR CA A 59 TYR C 1.0 -112.00 -78.00 PHI 44 44 A 59 TYR N A 59 TYR CA A 59 TYR C A 60 TYR N 1.0 121.00 145.00 PSI 45 45 A 59 TYR C A 60 TYR N A 60 TYR CA A 60 TYR C 1.0 -159.00 -121.00 PHI 46 46 A 60 TYR N A 60 TYR CA A 60 TYR C A 61 TYR N 1.0 142.00 178.00 PSI 47 47 A 60 TYR C A 61 TYR N A 61 TYR CA A 61 TYR C 1.0 -136.66 -112.28 PHI 48 48 A 61 TYR N A 61 TYR CA A 61 TYR C A 62 ASN N 1.0 121.54 158.44 PSI 49 49 A 61 TYR C A 62 ASN N A 62 ASN CA A 62 ASN C 1.0 -142.05 -114.07 PHI 50 50 A 62 ASN N A 62 ASN CA A 62 ASN C A 63 THR N 1.0 122.72 149.82 PSI 51 51 A 62 ASN C A 63 THR N A 63 THR CA A 63 THR C 1.0 -109.09 -67.69 PHI 52 52 A 67 GLU C A 68 SER N A 68 SER CA A 68 SER C 1.0 -86.23 -60.07 PHI 53 53 A 68 SER N A 68 SER CA A 68 SER C A 69 ARG N 1.0 140.72 153.28 PSI 54 54 A 68 SER C A 69 ARG N A 69 ARG CA A 69 ARG C 1.0 -136.02 -99.66 PHI 55 55 A 69 ARG N A 69 ARG CA A 69 ARG C A 70 TRP N 1.0 123.60 157.68 PSI 56 56 A 69 ARG C A 70 TRP N A 70 TRP CA A 70 TRP C 1.0 -164.28 -126.68 PHI stop_ save_