data_nef_c11525_2rt6 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 MET start . . 2 A 2 LYS middle . . 3 A 3 THR middle . . 4 A 4 ALA middle . . 5 A 5 LEU middle . . 6 A 6 LEU middle . . 7 A 7 LEU middle . . 8 A 8 GLU middle . . 9 A 9 LYS middle . . 10 A 10 LEU middle . . 11 A 11 GLU middle . . 12 A 12 GLY middle . false 13 A 13 GLN middle . . 14 A 14 LEU middle . . 15 A 15 ALA middle . . 16 A 16 THR middle . . 17 A 17 LEU middle . . 18 A 18 ARG middle . . 19 A 19 GLN middle . . 20 A 20 ARG middle . . 21 A 21 CYS middle . . 22 A 22 ALA middle . . 23 A 23 PRO middle . false 24 A 24 VAL middle . . 25 A 25 SER middle . . 26 A 26 GLN middle . . 27 A 27 PHE middle . . 28 A 28 ALA middle . . 29 A 29 THR middle . . 30 A 30 LEU middle . . 31 A 31 SER middle . . 32 A 32 ALA middle . . 33 A 33 ARG middle . . 34 A 34 PHE middle . . 35 A 35 ASP middle . . 36 A 36 ARG middle . . 37 A 37 HIS middle . . 38 A 38 LEU middle . . 39 A 39 PHE middle . . 40 A 40 GLN middle . . 41 A 41 THR middle . . 42 A 42 ARG middle . . 43 A 43 ALA middle . . 44 A 44 THR middle . . 45 A 45 THR middle . . 46 A 46 LEU middle . . 47 A 47 GLN middle . . 48 A 48 ALA middle . . 49 A 49 CYS middle . . 50 A 50 LEU middle . . 51 A 51 ASP middle . . 52 A 52 GLU middle . . 53 A 53 ALA middle . . 54 A 54 GLY middle . false 55 A 55 ASP middle . . 56 A 56 ASN middle . . 57 A 57 LEU middle . . 58 A 58 ALA middle . . 59 A 59 ALA middle . . 60 A 60 LEU middle . . 61 A 61 ARG middle . . 62 A 62 HIS middle . . 63 A 63 ALA middle . . 64 A 64 VAL middle . . 65 A 65 GLU middle . . 66 A 66 GLN middle . . 67 A 67 GLN middle . . 68 A 68 GLN middle . . 69 A 69 LEU middle . . 70 A 70 PRO middle . false 71 A 71 GLN middle . . 72 A 72 VAL middle . . 73 A 73 ALA middle . . 74 A 74 TRP middle . . 75 A 75 LEU middle . . 76 A 76 ALA middle . . 77 A 77 GLU middle . . 78 A 78 HIS middle . . 79 A 79 LEU middle . . 80 A 80 ALA middle . . 81 A 81 ALA middle . . 82 A 82 GLN middle . . 83 A 83 LEU middle . . 84 A 84 GLU middle . . 85 A 85 ALA middle . . 86 A 86 ILE middle . . 87 A 87 ALA middle . . 88 A 88 ARG middle . . 89 A 89 GLU middle . . 90 A 90 ALA middle . . 91 A 91 SER middle . . 92 A 92 ALA middle . . 93 A 93 TRP middle . . 94 A 94 SER middle . . 95 A 95 LEU middle . . 96 A 96 ARG middle . . 97 A 97 GLU middle . . 98 A 98 TRP 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 LYS HA H 1 4.161 0.024 A 2 LYS HBx H 1 1.889 0.024 A 2 LYS HBy H 1 1.889 0.024 A 2 LYS HDx H 1 1.713 0.016 A 2 LYS HDy H 1 1.713 0.016 A 2 LYS HEx H 1 3.016 0.022 A 2 LYS HEy H 1 3.016 0.022 A 2 LYS HGx H 1 1.431 0.02 A 2 LYS HGy H 1 1.431 0.02 A 2 LYS C C 13 178.309 0.1 A 2 LYS CA C 13 58.654 0.528 A 2 LYS CB C 13 32.598 0.427 A 2 LYS CD C 13 28.954 0.145 A 2 LYS CE C 13 42.029 0.052 A 2 LYS CG C 13 24.957 0.1 A 3 THR H H 1 8.331 0.004 A 3 THR HA H 1 4.098 0.017 A 3 THR HB H 1 4.200 0.01 A 3 THR HG2% H 1 1.283 0.025 A 3 THR C C 13 175.030 0.1 A 3 THR CA C 13 64.401 0.055 A 3 THR CB C 13 68.916 0.333 A 3 THR CG2 C 13 22.624 0.327 A 3 THR N N 15 115.036 0.2 A 4 ALA H H 1 8.016 0.006 A 4 ALA HA H 1 4.168 0.01 A 4 ALA HB% H 1 1.435 0.027 A 4 ALA C C 13 179.394 0.1 A 4 ALA CA C 13 54.435 0.247 A 4 ALA CB C 13 18.966 0.1 A 4 ALA N N 15 124.795 0.2 A 5 LEU H H 1 7.940 0.006 A 5 LEU HA H 1 4.136 0.02 A 5 LEU HBx H 1 1.574 0.01 A 5 LEU HBy H 1 1.574 0.01 A 5 LEU HDx% H 1 0.853 0.02 A 5 LEU HDy% H 1 0.853 0.02 A 5 LEU HG H 1 1.710 0.02 A 5 LEU C C 13 178.926 0.029 A 5 LEU CA C 13 57.333 0.097 A 5 LEU CB C 13 41.859 0.155 A 5 LEU CD1 C 13 24.697 0.1 A 5 LEU CD2 C 13 23.264 0.1 A 5 LEU CG C 13 27.291 0.1 A 5 LEU N N 15 119.683 0.029 A 6 LEU H H 1 7.772 0.005 A 6 LEU HA H 1 4.142 0.005 A 6 LEU HBx H 1 1.684 0.02 A 6 LEU HBy H 1 1.684 0.02 A 6 LEU HDx% H 1 0.864 0.02 A 6 LEU HDy% H 1 0.864 0.02 A 6 LEU HG H 1 1.813 0.02 A 6 LEU C C 13 178.259 0.03 A 6 LEU CA C 13 57.737 0.137 A 6 LEU CB C 13 42.206 0.142 A 6 LEU CDx C 13 23.372 0.1 A 6 LEU CDy C 13 23.372 0.1 A 6 LEU CG C 13 27.652 0.1 A 6 LEU N N 15 121.461 0.03 A 7 LEU H H 1 7.819 0.007 A 7 LEU HA H 1 3.944 0.017 A 7 LEU HB2 H 1 1.813 0.014 A 7 LEU HB3 H 1 1.674 0.01 A 7 LEU HDx% H 1 0.868 0.021 A 7 LEU HDy% H 1 0.868 0.021 A 7 LEU HG H 1 1.746 0.02 A 7 LEU C C 13 178.064 0.1 A 7 LEU CA C 13 58.427 0.075 A 7 LEU CB C 13 41.980 0.134 A 7 LEU CDx C 13 24.847 0.1 A 7 LEU CDy C 13 24.847 0.1 A 7 LEU CG C 13 27.529 0.03 A 7 LEU N N 15 118.551 0.2 A 8 GLU H H 1 8.031 0.016 A 8 GLU HA H 1 4.105 0.008 A 8 GLU HBx H 1 2.105 0.017 A 8 GLU HBy H 1 2.105 0.017 A 8 GLU HG2 H 1 2.294 0.02 A 8 GLU HG3 H 1 2.446 0.005 A 8 GLU C C 13 179.902 0.015 A 8 GLU CA C 13 59.421 0.136 A 8 GLU CB C 13 29.719 0.306 A 8 GLU CG C 13 36.118 0.497 A 8 GLU N N 15 117.617 0.015 A 9 LYS H H 1 8.106 0.008 A 9 LYS HA H 1 4.134 0.019 A 9 LYS HBx H 1 2.035 0.015 A 9 LYS HBy H 1 2.035 0.015 A 9 LYS HDx H 1 1.679 0.03 A 9 LYS HDy H 1 1.679 0.03 A 9 LYS HEx H 1 2.918 0.033 A 9 LYS HEy H 1 2.918 0.033 A 9 LYS HGx H 1 1.375 0.012 A 9 LYS HGy H 1 1.375 0.012 A 9 LYS C C 13 179.869 0.1 A 9 LYS CA C 13 59.377 0.23 A 9 LYS CB C 13 32.387 0.308 A 9 LYS CD C 13 29.150 0.038 A 9 LYS CE C 13 41.992 0.365 A 9 LYS CG C 13 24.743 0.124 A 9 LYS N N 15 121.008 0.2 A 10 LEU H H 1 8.161 0.006 A 10 LEU HA H 1 4.108 0.007 A 10 LEU HB2 H 1 1.248 0.011 A 10 LEU HB3 H 1 1.885 0.016 A 10 LEU HD1% H 1 0.843 0.002 A 10 LEU HD2% H 1 0.875 0.009 A 10 LEU HG H 1 1.899 0.008 A 10 LEU C C 13 178.546 0.009 A 10 LEU CA C 13 58.111 0.05 A 10 LEU CB C 13 41.935 0.138 A 10 LEU CD1 C 13 26.089 0.1 A 10 LEU CD2 C 13 24.710 0.1 A 10 LEU CG C 13 26.856 0.575 A 10 LEU N N 15 120.716 0.009 A 11 GLU H H 1 8.819 0.006 A 11 GLU HA H 1 3.985 0.033 A 11 GLU HB2 H 1 2.221 0.02 A 11 GLU HB3 H 1 2.127 0.007 A 11 GLU HGx H 1 2.353 0.015 A 11 GLU HGy H 1 2.353 0.015 A 11 GLU C C 13 179.988 0.006 A 11 GLU CA C 13 59.769 0.147 A 11 GLU CB C 13 29.958 0.168 A 11 GLU CG C 13 36.284 0.173 A 11 GLU N N 15 119.132 0.006 A 12 GLY H H 1 8.094 0.005 A 12 GLY HAx H 1 3.991 0.004 A 12 GLY HAy H 1 3.991 0.004 A 12 GLY C C 13 176.485 0.003 A 12 GLY CA C 13 47.119 0.153 A 12 GLY N N 15 106.929 0.003 A 13 GLN H H 1 8.227 0.007 A 13 GLN HA H 1 4.128 0.011 A 13 GLN HBx H 1 2.272 0.009 A 13 GLN HBy H 1 2.272 0.009 A 13 GLN HE21 H 1 7.210 0.001 A 13 GLN HE22 H 1 6.652 0.004 A 13 GLN HG2 H 1 2.284 0.008 A 13 GLN HG3 H 1 2.561 0.011 A 13 GLN C C 13 178.976 0.008 A 13 GLN CA C 13 59.161 0.046 A 13 GLN CB C 13 29.278 0.154 A 13 GLN CG C 13 34.336 0.008 A 13 GLN N N 15 123.270 0.008 A 13 GLN NE2 N 15 108.156 0.2 A 14 LEU H H 1 8.428 0.006 A 14 LEU HA H 1 3.968 0.009 A 14 LEU HB2 H 1 2.049 0.009 A 14 LEU HB3 H 1 1.468 0.014 A 14 LEU HD1% H 1 0.958 0.004 A 14 LEU HD2% H 1 0.813 0.02 A 14 LEU C C 13 177.709 0.021 A 14 LEU CA C 13 58.360 0.05 A 14 LEU CB C 13 40.968 0.208 A 14 LEU CD1 C 13 25.090 0.1 A 14 LEU CD2 C 13 23.091 0.1 A 14 LEU N N 15 120.329 0.021 A 15 ALA H H 1 8.198 0.006 A 15 ALA HA H 1 4.061 0.01 A 15 ALA HB% H 1 1.537 0.047 A 15 ALA C C 13 181.408 0.028 A 15 ALA CA C 13 55.909 0.162 A 15 ALA CB C 13 18.105 0.356 A 15 ALA N N 15 121.266 0.028 A 16 THR H H 1 8.265 0.002 A 16 THR HA H 1 4.025 0.019 A 16 THR HB H 1 4.308 0.022 A 16 THR HG2% H 1 1.289 0.023 A 16 THR C C 13 176.872 0.051 A 16 THR CA C 13 66.537 0.105 A 16 THR CB C 13 68.780 0.122 A 16 THR CG2 C 13 21.614 0.041 A 16 THR N N 15 115.360 0.051 A 17 LEU H H 1 8.239 0.006 A 17 LEU HA H 1 4.100 0.011 A 17 LEU HB2 H 1 1.422 0.013 A 17 LEU HB3 H 1 1.964 0.033 A 17 LEU HD1% H 1 0.807 0.02 A 17 LEU HD2% H 1 0.913 0.028 A 17 LEU HG H 1 1.655 0.054 A 17 LEU C C 13 179.180 0.1 A 17 LEU CA C 13 58.237 0.065 A 17 LEU CB C 13 42.334 0.23 A 17 LEU CD1 C 13 25.922 0.1 A 17 LEU CD2 C 13 23.639 0.143 A 17 LEU CG C 13 27.116 0.1 A 17 LEU N N 15 123.321 0.2 A 18 ARG H H 1 8.936 0.006 A 18 ARG HA H 1 3.863 0.016 A 18 ARG HBx H 1 1.948 0.011 A 18 ARG HBy H 1 1.948 0.011 A 18 ARG HDx H 1 3.184 0.034 A 18 ARG HDy H 1 3.184 0.034 A 18 ARG HE H 1 7.156 0.004 A 18 ARG HGx H 1 1.888 0.021 A 18 ARG HGy H 1 1.888 0.021 A 18 ARG C C 13 179.228 0.055 A 18 ARG CA C 13 60.542 0.117 A 18 ARG CB C 13 30.279 0.569 A 18 ARG CD C 13 44.008 0.196 A 18 ARG CG C 13 28.844 0.092 A 18 ARG N N 15 119.507 0.055 A 18 ARG NE N 15 83.966 0.2 A 19 GLN H H 1 7.480 0.005 A 19 GLN HA H 1 4.137 0.015 A 19 GLN HBx H 1 2.260 0.016 A 19 GLN HBy H 1 2.260 0.016 A 19 GLN HE21 H 1 7.438 0.02 A 19 GLN HE22 H 1 6.863 0.02 A 19 GLN HGx H 1 2.559 0.031 A 19 GLN HGy H 1 2.559 0.031 A 19 GLN C C 13 178.788 0.014 A 19 GLN CA C 13 58.795 0.179 A 19 GLN CB C 13 28.712 0.259 A 19 GLN CG C 13 33.604 0.1 A 19 GLN N N 15 117.365 0.014 A 19 GLN NE2 N 15 111.663 0.2 A 20 ARG H H 1 8.409 0.004 A 20 ARG HA H 1 4.123 0.004 A 20 ARG HBx H 1 1.978 0.013 A 20 ARG HBy H 1 1.978 0.013 A 20 ARG HDx H 1 3.253 0.06 A 20 ARG HDy H 1 3.253 0.06 A 20 ARG HE H 1 7.172 0.02 A 20 ARG HGx H 1 1.678 0.008 A 20 ARG HGy H 1 1.678 0.008 A 20 ARG C C 13 178.132 0.035 A 20 ARG CA C 13 58.714 0.168 A 20 ARG CB C 13 31.017 0.645 A 20 ARG CD C 13 43.669 0.735 A 20 ARG CG C 13 27.304 0.1 A 20 ARG N N 15 119.389 0.035 A 20 ARG NE N 15 84.560 0.2 A 21 CYS H H 1 8.022 0.005 A 21 CYS HA H 1 4.286 0.017 A 21 CYS HB2 H 1 2.769 0.004 A 21 CYS HB3 H 1 2.594 0.016 A 21 CYS C C 13 174.676 0.016 A 21 CYS CA C 13 60.517 0.181 A 21 CYS CB C 13 28.532 0.262 A 21 CYS N N 15 111.081 0.016 A 22 ALA H H 1 7.423 0.004 A 22 ALA HA H 1 4.258 0.018 A 22 ALA HB% H 1 1.547 0.017 A 22 ALA C C 13 176.169 0.1 A 22 ALA CA C 13 56.332 1.002 A 22 ALA CB C 13 16.724 0.759 A 22 ALA N N 15 124.677 0.2 A 23 PRO HA H 1 4.491 0.013 A 23 PRO HB2 H 1 1.828 0.021 A 23 PRO HB3 H 1 2.446 0.005 A 23 PRO HD2 H 1 3.707 0.041 A 23 PRO HD3 H 1 3.519 0.032 A 23 PRO HGx H 1 2.065 0.012 A 23 PRO HGy H 1 2.065 0.012 A 23 PRO C C 13 177.383 0.1 A 23 PRO CA C 13 65.286 0.195 A 23 PRO CB C 13 31.724 0.36 A 23 PRO CD C 13 50.852 0.027 A 23 PRO CG C 13 27.920 0.26 A 24 VAL H H 1 7.286 0.003 A 24 VAL HA H 1 4.127 0.009 A 24 VAL HB H 1 1.731 0.009 A 24 VAL HG1% H 1 0.643 0.008 A 24 VAL HG2% H 1 0.375 0.007 A 24 VAL C C 13 176.780 0.1 A 24 VAL CA C 13 60.539 0.179 A 24 VAL CB C 13 32.468 0.106 A 24 VAL CG1 C 13 20.894 0.114 A 24 VAL CG2 C 13 18.928 0.16 A 24 VAL N N 15 108.859 0.2 A 25 SER H H 1 7.789 0.005 A 25 SER HA H 1 3.805 0.006 A 25 SER HBx H 1 3.678 0.009 A 25 SER HBy H 1 3.678 0.009 A 25 SER C C 13 175.545 0.1 A 25 SER CA C 13 61.136 0.104 A 25 SER CB C 13 62.732 0.822 A 25 SER N N 15 118.286 0.2 A 26 GLN H H 1 8.605 0.005 A 26 GLN HA H 1 4.098 0.007 A 26 GLN HB2 H 1 1.872 0.003 A 26 GLN HB3 H 1 1.774 0.011 A 26 GLN HE21 H 1 7.379 0.002 A 26 GLN HE22 H 1 6.788 0.004 A 26 GLN HGx H 1 2.048 0.005 A 26 GLN HGy H 1 2.048 0.005 A 26 GLN C C 13 175.830 0.007 A 26 GLN CA C 13 57.455 0.147 A 26 GLN CB C 13 28.666 0.376 A 26 GLN CG C 13 33.611 0.1 A 26 GLN N N 15 119.579 0.007 A 26 GLN NE2 N 15 112.112 0.2 A 27 PHE H H 1 7.303 0.004 A 27 PHE HA H 1 4.785 0.001 A 27 PHE HB2 H 1 2.990 0.009 A 27 PHE HB3 H 1 3.127 0.016 A 27 PHE HDx H 1 7.123 0.007 A 27 PHE HDy H 1 7.123 0.007 A 27 PHE HEx H 1 7.376 0.006 A 27 PHE HEy H 1 7.376 0.006 A 27 PHE HZ H 1 7.326 0.02 A 27 PHE C C 13 175.553 0.02 A 27 PHE CA C 13 56.544 0.162 A 27 PHE CB C 13 40.195 0.137 A 27 PHE CDx C 13 132.160 0.164 A 27 PHE CDy C 13 132.160 0.164 A 27 PHE CEx C 13 131.521 0.612 A 27 PHE CEy C 13 131.521 0.612 A 27 PHE CZ C 13 130.305 0.1 A 27 PHE N N 15 114.464 0.02 A 28 ALA H H 1 7.607 0.004 A 28 ALA HA H 1 4.050 0.006 A 28 ALA HB% H 1 0.883 0.011 A 28 ALA C C 13 177.373 0.027 A 28 ALA CA C 13 52.925 0.179 A 28 ALA CB C 13 18.739 0.19 A 28 ALA N N 15 125.099 0.027 A 29 THR H H 1 7.874 0.004 A 29 THR HA H 1 4.534 0.028 A 29 THR HB H 1 4.295 0.024 A 29 THR HG2% H 1 1.263 0.017 A 29 THR C C 13 174.257 0.019 A 29 THR CA C 13 60.834 0.315 A 29 THR CB C 13 70.105 0.254 A 29 THR CG2 C 13 21.709 0.123 A 29 THR N N 15 115.725 0.019 A 30 LEU H H 1 7.904 0.003 A 30 LEU HA H 1 4.245 0.03 A 30 LEU HB2 H 1 1.452 0.021 A 30 LEU HB3 H 1 0.858 0.013 A 30 LEU HD1% H 1 0.133 0.007 A 30 LEU HD2% H 1 -0.172 0.014 A 30 LEU HG H 1 1.032 0.017 A 30 LEU C C 13 177.812 0.033 A 30 LEU CA C 13 54.608 0.139 A 30 LEU CB C 13 42.516 0.344 A 30 LEU CD1 C 13 24.857 0.084 A 30 LEU CD2 C 13 21.082 0.176 A 30 LEU CG C 13 26.542 0.293 A 30 LEU N N 15 123.147 0.033 A 31 SER H H 1 10.169 0.006 A 31 SER HA H 1 4.320 0.02 A 31 SER HBx H 1 4.249 0.02 A 31 SER HBy H 1 4.249 0.02 A 31 SER C C 13 175.936 0.1 A 31 SER CA C 13 59.176 0.145 A 31 SER CB C 13 64.493 0.116 A 31 SER N N 15 121.915 0.2 A 32 ALA H H 1 8.875 0.003 A 32 ALA HA H 1 4.161 0.011 A 32 ALA HB% H 1 1.507 0.006 A 32 ALA C C 13 178.962 0.03 A 32 ALA CA C 13 54.573 0.151 A 32 ALA CB C 13 18.769 0.234 A 32 ALA N N 15 122.432 0.03 A 33 ARG H H 1 7.693 0.003 A 33 ARG HA H 1 4.366 0.015 A 33 ARG HBx H 1 1.981 0.01 A 33 ARG HBy H 1 1.981 0.01 A 33 ARG HDx H 1 3.199 0.029 A 33 ARG HDy H 1 3.199 0.029 A 33 ARG HE H 1 7.284 0.007 A 33 ARG HGx H 1 1.660 0.01 A 33 ARG HGy H 1 1.660 0.01 A 33 ARG C C 13 175.828 0.01 A 33 ARG CA C 13 55.566 0.002 A 33 ARG CB C 13 30.353 0.165 A 33 ARG CD C 13 43.279 0.452 A 33 ARG CG C 13 27.189 0.1 A 33 ARG N N 15 114.160 0.01 A 33 ARG NE N 15 84.552 0.2 A 34 PHE H H 1 7.459 0.006 A 34 PHE HA H 1 4.202 0.031 A 34 PHE HB2 H 1 2.806 0.007 A 34 PHE HB3 H 1 3.215 0.015 A 34 PHE HDx H 1 7.041 0.003 A 34 PHE HDy H 1 7.041 0.003 A 34 PHE HEx H 1 6.890 0.016 A 34 PHE HEy H 1 6.890 0.016 A 34 PHE C C 13 176.040 0.025 A 34 PHE CA C 13 59.465 0.131 A 34 PHE CB C 13 40.007 0.307 A 34 PHE CDx C 13 132.106 0.212 A 34 PHE CDy C 13 132.106 0.212 A 34 PHE CEx C 13 130.822 0.1 A 34 PHE CEy C 13 130.822 0.1 A 34 PHE N N 15 122.867 0.025 A 35 ASP H H 1 7.404 0.008 A 35 ASP HA H 1 4.705 0.011 A 35 ASP HB2 H 1 2.332 0.006 A 35 ASP HB3 H 1 2.644 0.003 A 35 ASP C C 13 175.061 0.1 A 35 ASP CA C 13 53.258 0.151 A 35 ASP CB C 13 38.936 0.135 A 35 ASP N N 15 127.177 0.2 A 36 ARG H H 1 8.220 0.005 A 36 ARG HA H 1 4.120 0.014 A 36 ARG HBx H 1 2.056 0.005 A 36 ARG HBy H 1 2.056 0.005 A 36 ARG HDx H 1 3.290 0.01 A 36 ARG HDy H 1 3.290 0.01 A 36 ARG HE H 1 7.529 0.004 A 36 ARG HGx H 1 1.850 0.038 A 36 ARG HGy H 1 1.850 0.038 A 36 ARG C C 13 178.613 0.1 A 36 ARG CA C 13 58.431 0.067 A 36 ARG CB C 13 30.380 0.048 A 36 ARG CD C 13 43.208 0.074 A 36 ARG CG C 13 28.247 0.495 A 36 ARG N N 15 124.302 0.2 A 36 ARG NE N 15 85.088 0.2 A 37 HIS H H 1 8.495 0.008 A 37 HIS HA H 1 4.654 0.015 A 37 HIS HB2 H 1 3.324 0.012 A 37 HIS HB3 H 1 3.456 0.008 A 37 HIS HD2 H 1 7.306 0.006 A 37 HIS C C 13 175.626 0.1 A 37 HIS CA C 13 57.447 0.143 A 37 HIS CB C 13 28.026 0.121 A 37 HIS CD2 C 13 120.147 0.17 A 37 HIS N N 15 115.311 0.2 A 38 LEU H H 1 7.106 0.007 A 38 LEU HA H 1 4.002 0.007 A 38 LEU HB2 H 1 1.567 0.005 A 38 LEU HB3 H 1 0.905 0.015 A 38 LEU HD1% H 1 0.666 0.015 A 38 LEU HD2% H 1 0.606 0.034 A 38 LEU HG H 1 1.113 0.013 A 38 LEU C C 13 174.592 0.1 A 38 LEU CA C 13 55.227 0.239 A 38 LEU CB C 13 43.621 0.989 A 38 LEU CD1 C 13 26.736 0.316 A 38 LEU CD2 C 13 22.758 0.106 A 38 LEU CG C 13 26.488 0.192 A 38 LEU N N 15 118.178 0.2 A 39 PHE H H 1 7.743 0.006 A 39 PHE HA H 1 4.999 0.006 A 39 PHE HB2 H 1 2.881 0.006 A 39 PHE HB3 H 1 3.441 0.014 A 39 PHE HDx H 1 7.273 0.02 A 39 PHE HDy H 1 7.273 0.02 A 39 PHE HEx H 1 7.209 0.027 A 39 PHE HEy H 1 7.209 0.027 A 39 PHE HZ H 1 7.369 0.017 A 39 PHE C C 13 175.198 0.1 A 39 PHE CA C 13 56.409 0.085 A 39 PHE CB C 13 42.636 0.21 A 39 PHE CDx C 13 133.460 0.1 A 39 PHE CDy C 13 133.460 0.1 A 39 PHE CEx C 13 131.948 0.1 A 39 PHE CEy C 13 131.948 0.1 A 39 PHE CZ C 13 128.181 0.1 A 39 PHE N N 15 116.921 0.2 A 40 GLN H H 1 11.230 0.009 A 40 GLN HA H 1 4.355 0.004 A 40 GLN HB2 H 1 2.289 0.014 A 40 GLN HB3 H 1 2.143 0.017 A 40 GLN HE21 H 1 7.584 0.02 A 40 GLN HE22 H 1 6.905 0.02 A 40 GLN HGx H 1 2.546 0.014 A 40 GLN HGy H 1 2.546 0.014 A 40 GLN C C 13 179.204 0.1 A 40 GLN CA C 13 56.720 0.155 A 40 GLN CB C 13 29.673 0.266 A 40 GLN CG C 13 34.505 0.003 A 40 GLN N N 15 124.319 0.2 A 40 GLN NE2 N 15 112.750 0.2 A 41 THR H H 1 9.098 0.005 A 41 THR HA H 1 4.128 0.009 A 41 THR HB H 1 4.308 0.011 A 41 THR HG2% H 1 1.286 0.015 A 41 THR C C 13 175.095 0.1 A 41 THR CA C 13 64.166 0.455 A 41 THR CB C 13 69.106 0.188 A 41 THR CG2 C 13 21.530 0.178 A 41 THR N N 15 116.857 0.2 A 42 ARG H H 1 8.132 0.007 A 42 ARG HA H 1 4.347 0.002 A 42 ARG HBx H 1 1.938 0.02 A 42 ARG HBy H 1 1.938 0.02 A 42 ARG HDx H 1 3.167 0.02 A 42 ARG HDy H 1 3.167 0.02 A 42 ARG HE H 1 7.415 0.02 A 42 ARG HGx H 1 1.661 0.007 A 42 ARG HGy H 1 1.661 0.007 A 42 ARG C C 13 176.166 0.1 A 42 ARG CA C 13 55.939 0.035 A 42 ARG CB C 13 29.293 0.042 A 42 ARG CD C 13 43.434 0.122 A 42 ARG CG C 13 27.007 0.076 A 42 ARG N N 15 119.617 0.2 A 42 ARG NE N 15 84.610 0.2 A 43 ALA H H 1 7.891 0.006 A 43 ALA HA H 1 4.335 0.013 A 43 ALA HB% H 1 1.432 0.003 A 43 ALA C C 13 176.446 0.1 A 43 ALA CA C 13 52.099 0.233 A 43 ALA CB C 13 18.971 0.118 A 43 ALA N N 15 125.770 0.2 A 44 THR H H 1 8.147 0.003 A 44 THR HA H 1 4.319 0.012 A 44 THR HB H 1 4.523 0.016 A 44 THR HG2% H 1 1.186 0.019 A 44 THR C C 13 174.379 0.1 A 44 THR CA C 13 61.485 0.11 A 44 THR CB C 13 69.415 0.155 A 44 THR CG2 C 13 21.825 0.082 A 44 THR N N 15 109.193 0.2 A 45 THR H H 1 7.079 0.006 A 45 THR HA H 1 4.745 0.016 A 45 THR HB H 1 4.497 0.01 A 45 THR HG2% H 1 1.108 0.009 A 45 THR C C 13 174.603 0.1 A 45 THR CA C 13 58.464 0.202 A 45 THR CB C 13 72.506 0.145 A 45 THR CG2 C 13 21.541 0.192 A 45 THR N N 15 108.529 0.2 A 46 LEU H H 1 8.581 0.008 A 46 LEU HA H 1 3.709 0.009 A 46 LEU HBx H 1 1.464 0.015 A 46 LEU HBy H 1 1.464 0.015 A 46 LEU HD1% H 1 0.836 0.051 A 46 LEU HD2% H 1 0.747 0.01 A 46 LEU HG H 1 1.514 0.012 A 46 LEU C C 13 178.917 0.1 A 46 LEU CA C 13 58.095 0.074 A 46 LEU CB C 13 42.026 0.371 A 46 LEU CD1 C 13 23.529 0.1 A 46 LEU CD2 C 13 23.956 0.283 A 46 LEU CG C 13 27.379 0.074 A 46 LEU N N 15 122.406 0.2 A 47 GLN H H 1 8.550 0.004 A 47 GLN HA H 1 3.716 0.003 A 47 GLN HB2 H 1 2.027 0.009 A 47 GLN HB3 H 1 1.808 0.011 A 47 GLN HE21 H 1 7.651 0.001 A 47 GLN HE22 H 1 6.760 0.006 A 47 GLN HG2 H 1 2.313 0.011 A 47 GLN HG3 H 1 2.196 0.004 A 47 GLN C C 13 176.883 0.1 A 47 GLN CA C 13 58.890 0.256 A 47 GLN CB C 13 28.416 0.266 A 47 GLN CG C 13 32.993 0.1 A 47 GLN N N 15 117.806 0.2 A 47 GLN NE2 N 15 114.539 0.2 A 48 ALA H H 1 7.737 0.004 A 48 ALA HA H 1 4.260 0.014 A 48 ALA HB% H 1 1.546 0.005 A 48 ALA C C 13 181.511 0.1 A 48 ALA CA C 13 55.041 0.155 A 48 ALA CB C 13 19.538 0.045 A 48 ALA N N 15 120.120 0.2 A 49 CYS H H 1 7.462 0.006 A 49 CYS HA H 1 3.951 0.015 A 49 CYS HB2 H 1 2.753 0.01 A 49 CYS HB3 H 1 1.971 0.026 A 49 CYS C C 13 176.652 0.1 A 49 CYS CA C 13 63.721 0.201 A 49 CYS CB C 13 26.861 0.114 A 49 CYS N N 15 118.324 0.2 A 50 LEU H H 1 8.178 0.014 A 50 LEU HA H 1 3.835 0.021 A 50 LEU HB2 H 1 2.015 0.01 A 50 LEU HB3 H 1 1.337 0.004 A 50 LEU HD1% H 1 0.807 0.009 A 50 LEU HD2% H 1 0.945 0.006 A 50 LEU HG H 1 1.692 0.02 A 50 LEU C C 13 179.303 0.1 A 50 LEU CA C 13 58.343 0.06 A 50 LEU CB C 13 42.100 0.165 A 50 LEU CD1 C 13 26.128 0.1 A 50 LEU CD2 C 13 24.048 0.1 A 50 LEU CG C 13 29.283 0.1 A 50 LEU N N 15 121.893 0.2 A 51 ASP H H 1 8.551 0.008 A 51 ASP HA H 1 4.460 0.005 A 51 ASP HBx H 1 2.750 0.019 A 51 ASP HBy H 1 2.750 0.019 A 51 ASP C C 13 178.671 0.1 A 51 ASP CA C 13 57.274 0.27 A 51 ASP CB C 13 39.648 0.197 A 51 ASP N N 15 120.471 0.2 A 52 GLU H H 1 7.977 0.003 A 52 GLU HA H 1 4.214 0.014 A 52 GLU HB2 H 1 2.367 0.01 A 52 GLU HB3 H 1 2.506 0.004 A 52 GLU HGx H 1 2.728 0.018 A 52 GLU HGy H 1 2.728 0.018 A 52 GLU C C 13 178.849 0.1 A 52 GLU CA C 13 59.894 0.124 A 52 GLU CB C 13 29.312 0.129 A 52 GLU CG C 13 37.132 0.164 A 52 GLU N N 15 123.187 0.2 A 53 ALA H H 1 8.509 0.006 A 53 ALA HA H 1 4.349 0.011 A 53 ALA HB% H 1 1.474 0.014 A 53 ALA C C 13 180.143 0.021 A 53 ALA CA C 13 55.526 0.195 A 53 ALA CB C 13 17.766 0.083 A 53 ALA N N 15 122.739 0.021 A 54 GLY H H 1 8.605 0.004 A 54 GLY HA2 H 1 4.049 0.004 A 54 GLY HA3 H 1 3.719 0.006 A 54 GLY C C 13 177.212 0.004 A 54 GLY CA C 13 47.713 0.124 A 54 GLY N N 15 105.546 0.004 A 55 ASP H H 1 8.348 0.004 A 55 ASP HA H 1 4.584 0.007 A 55 ASP HB2 H 1 2.762 0.003 A 55 ASP HB3 H 1 3.090 0.007 A 55 ASP C C 13 179.849 0.033 A 55 ASP CA C 13 57.500 0.203 A 55 ASP CB C 13 39.802 0.192 A 55 ASP N N 15 126.113 0.033 A 56 ASN H H 1 8.580 0.006 A 56 ASN HA H 1 4.823 0.013 A 56 ASN HB2 H 1 2.556 0.008 A 56 ASN HB3 H 1 3.177 0.009 A 56 ASN HD21 H 1 7.788 0.009 A 56 ASN HD22 H 1 8.021 0.015 A 56 ASN C C 13 177.510 0.1 A 56 ASN CA C 13 55.777 0.02 A 56 ASN CB C 13 38.420 0.19 A 56 ASN N N 15 121.663 0.2 A 56 ASN ND2 N 15 112.677 0.2 A 57 LEU H H 1 8.852 0.004 A 57 LEU HA H 1 4.100 0.005 A 57 LEU HB2 H 1 2.189 0.004 A 57 LEU HB3 H 1 1.533 0.021 A 57 LEU HD1% H 1 0.911 0.018 A 57 LEU HD2% H 1 0.915 0.007 A 57 LEU HG H 1 1.677 0.013 A 57 LEU C C 13 178.132 0.1 A 57 LEU CA C 13 58.152 0.13 A 57 LEU CB C 13 40.968 0.145 A 57 LEU CD1 C 13 23.436 0.544 A 57 LEU CD2 C 13 28.118 0.1 A 57 LEU CG C 13 27.394 0.025 A 57 LEU N N 15 124.310 0.2 A 58 ALA H H 1 7.977 0.012 A 58 ALA HA H 1 4.093 0.007 A 58 ALA HB% H 1 1.581 0.006 A 58 ALA C C 13 180.785 0.054 A 58 ALA CA C 13 55.365 0.277 A 58 ALA CB C 13 17.930 0.156 A 58 ALA N N 15 122.225 0.054 A 59 ALA H H 1 8.164 0.009 A 59 ALA HA H 1 4.263 0.008 A 59 ALA HB% H 1 1.674 0.004 A 59 ALA C C 13 180.881 0.1 A 59 ALA CA C 13 55.085 0.04 A 59 ALA CB C 13 18.219 0.134 A 59 ALA N N 15 121.794 0.2 A 60 LEU H H 1 8.789 0.006 A 60 LEU HA H 1 4.107 0.011 A 60 LEU HB2 H 1 2.333 0.014 A 60 LEU HB3 H 1 1.512 0.019 A 60 LEU HD1% H 1 0.885 0.022 A 60 LEU HD2% H 1 1.078 0.011 A 60 LEU HG H 1 1.611 0.02 A 60 LEU C C 13 177.576 0.001 A 60 LEU CA C 13 58.156 0.142 A 60 LEU CB C 13 41.129 0.148 A 60 LEU CD2 C 13 25.258 0.929 A 60 LEU CG C 13 27.520 0.069 A 60 LEU N N 15 123.821 0.001 A 61 ARG H H 1 8.702 0.006 A 61 ARG HA H 1 3.828 0.018 A 61 ARG HBx H 1 1.945 0.014 A 61 ARG HBy H 1 1.945 0.014 A 61 ARG HDx H 1 3.201 0.029 A 61 ARG HDy H 1 3.201 0.029 A 61 ARG HGx H 1 1.613 0.052 A 61 ARG HGy H 1 1.613 0.052 A 61 ARG C C 13 178.734 0.025 A 61 ARG CA C 13 60.506 0.266 A 61 ARG CB C 13 29.906 0.166 A 61 ARG CD C 13 43.319 0.028 A 61 ARG CG C 13 27.757 0.629 A 61 ARG N N 15 119.402 0.025 A 62 HIS H H 1 7.872 0.005 A 62 HIS HA H 1 4.557 0.011 A 62 HIS HBx H 1 3.358 0.012 A 62 HIS HBy H 1 3.358 0.012 A 62 HIS HD2 H 1 7.391 0.003 A 62 HIS C C 13 176.123 0.012 A 62 HIS CA C 13 58.590 0.436 A 62 HIS CB C 13 28.521 0.268 A 62 HIS CD2 C 13 120.492 0.307 A 62 HIS N N 15 116.401 0.012 A 63 ALA H H 1 8.281 0.008 A 63 ALA HA H 1 4.272 0.045 A 63 ALA HB% H 1 1.537 0.016 A 63 ALA C C 13 179.569 0.1 A 63 ALA CA C 13 55.312 0.173 A 63 ALA CB C 13 18.451 0.24 A 63 ALA N N 15 122.457 0.2 A 64 VAL H H 1 8.550 0.006 A 64 VAL HA H 1 3.509 0.01 A 64 VAL HB H 1 2.274 0.006 A 64 VAL HG1% H 1 1.069 0.016 A 64 VAL HG2% H 1 0.898 0.011 A 64 VAL C C 13 180.284 0.1 A 64 VAL CA C 13 66.470 0.262 A 64 VAL CB C 13 31.942 0.143 A 64 VAL CG1 C 13 24.063 0.232 A 64 VAL CG2 C 13 21.471 0.33 A 64 VAL N N 15 118.439 0.2 A 65 GLU H H 1 8.248 0.006 A 65 GLU HA H 1 4.017 0.009 A 65 GLU HBx H 1 2.281 0.005 A 65 GLU HBy H 1 2.281 0.005 A 65 GLU HGx H 1 2.514 0.012 A 65 GLU HGy H 1 2.514 0.012 A 65 GLU C C 13 178.540 0.001 A 65 GLU CA C 13 59.327 0.186 A 65 GLU CB C 13 29.613 0.412 A 65 GLU CG C 13 36.102 0.317 A 65 GLU N N 15 121.619 0.001 A 66 GLN H H 1 7.795 0.005 A 66 GLN HA H 1 4.244 0.005 A 66 GLN HB2 H 1 2.329 0.009 A 66 GLN HB3 H 1 1.752 0.017 A 66 GLN HE21 H 1 7.414 0.006 A 66 GLN HE22 H 1 6.823 0.003 A 66 GLN HGx H 1 2.195 0.006 A 66 GLN HGy H 1 2.195 0.006 A 66 GLN C C 13 174.589 0.017 A 66 GLN CA C 13 55.279 0.138 A 66 GLN CB C 13 29.469 0.115 A 66 GLN CG C 13 34.223 0.166 A 66 GLN N N 15 113.967 0.017 A 66 GLN NE2 N 15 112.494 0.2 A 67 GLN H H 1 7.942 0.006 A 67 GLN HA H 1 3.790 0.005 A 67 GLN HBx H 1 2.258 0.013 A 67 GLN HBy H 1 2.258 0.013 A 67 GLN HE21 H 1 7.672 0.004 A 67 GLN HE22 H 1 6.858 0.003 A 67 GLN HGx H 1 2.276 0.002 A 67 GLN HGy H 1 2.276 0.002 A 67 GLN C C 13 175.271 0.04 A 67 GLN CA C 13 56.625 0.392 A 67 GLN CB C 13 26.945 0.159 A 67 GLN CG C 13 34.133 0.239 A 67 GLN N N 15 117.023 0.04 A 67 GLN NE2 N 15 112.572 0.2 A 68 GLN H H 1 8.304 0.006 A 68 GLN HA H 1 4.620 0.004 A 68 GLN HBx H 1 2.006 0.027 A 68 GLN HBy H 1 2.006 0.027 A 68 GLN HE21 H 1 7.350 0.001 A 68 GLN HE22 H 1 6.736 0.004 A 68 GLN HGx H 1 2.280 0.005 A 68 GLN HGy H 1 2.280 0.005 A 68 GLN C C 13 176.297 0.028 A 68 GLN CA C 13 53.649 0.026 A 68 GLN CB C 13 27.263 0.126 A 68 GLN CG C 13 33.377 0.164 A 68 GLN N N 15 119.512 0.028 A 68 GLN NE2 N 15 110.992 0.2 A 69 LEU H H 1 8.034 0.007 A 69 LEU HA H 1 4.098 0.028 A 69 LEU HB2 H 1 1.953 0.021 A 69 LEU HB3 H 1 1.532 0.003 A 69 LEU HD1% H 1 0.925 0.014 A 69 LEU HD2% H 1 0.845 0.035 A 69 LEU HG H 1 1.685 0.064 A 69 LEU C C 13 176.687 0.1 A 69 LEU CA C 13 59.873 0.123 A 69 LEU CB C 13 38.640 0.233 A 69 LEU CD1 C 13 24.531 0.1 A 69 LEU CD2 C 13 26.619 0.1 A 69 LEU CG C 13 27.776 0.1 A 69 LEU N N 15 121.220 0.2 A 70 PRO HA H 1 4.396 0.014 A 70 PRO HB2 H 1 2.393 0.02 A 70 PRO HB3 H 1 1.887 0.02 A 70 PRO HGx H 1 2.207 0.02 A 70 PRO HGy H 1 2.207 0.02 A 70 PRO C C 13 179.447 0.1 A 70 PRO CA C 13 66.093 0.146 A 70 PRO CB C 13 30.754 0.198 A 70 PRO CG C 13 28.479 0.1 A 71 GLN H H 1 7.539 0.003 A 71 GLN HA H 1 4.317 0.023 A 71 GLN HB2 H 1 2.324 0.02 A 71 GLN HB3 H 1 2.139 0.004 A 71 GLN HE21 H 1 7.429 0.003 A 71 GLN HE22 H 1 6.702 0.002 A 71 GLN HGx H 1 2.534 0.004 A 71 GLN HGy H 1 2.534 0.004 A 71 GLN C C 13 177.921 0.002 A 71 GLN CA C 13 59.078 0.164 A 71 GLN CB C 13 28.769 0.425 A 71 GLN CG C 13 34.295 0.1 A 71 GLN N N 15 117.575 0.002 A 71 GLN NE2 N 15 110.934 0.2 A 72 VAL H H 1 8.214 0.006 A 72 VAL HA H 1 3.465 0.013 A 72 VAL HB H 1 2.288 0.005 A 72 VAL HG1% H 1 0.936 0.002 A 72 VAL HG2% H 1 0.844 0.003 A 72 VAL C C 13 176.812 0.034 A 72 VAL CA C 13 66.394 0.147 A 72 VAL CB C 13 32.122 0.013 A 72 VAL CG1 C 13 23.193 0.174 A 72 VAL CG2 C 13 21.007 0.07 A 72 VAL N N 15 119.720 0.034 A 73 ALA H H 1 7.730 0.008 A 73 ALA HA H 1 4.035 0.013 A 73 ALA HB% H 1 1.499 0.008 A 73 ALA C C 13 180.480 0.019 A 73 ALA CA C 13 55.303 0.142 A 73 ALA CB C 13 18.383 0.123 A 73 ALA N N 15 118.957 0.019 A 74 TRP H H 1 7.906 0.005 A 74 TRP HA H 1 4.311 0.015 A 74 TRP HB2 H 1 3.282 0.01 A 74 TRP HB3 H 1 3.407 0.022 A 74 TRP HD1 H 1 7.265 0.007 A 74 TRP HE1 H 1 10.087 0.012 A 74 TRP HE3 H 1 7.418 0.003 A 74 TRP HH2 H 1 6.687 0.009 A 74 TRP HZ2 H 1 7.097 0.008 A 74 TRP HZ3 H 1 6.931 0.03 A 74 TRP C C 13 179.018 0.1 A 74 TRP CA C 13 61.316 0.152 A 74 TRP CB C 13 29.656 0.369 A 74 TRP CD1 C 13 127.796 0.37 A 74 TRP CE3 C 13 120.968 0.1 A 74 TRP CH2 C 13 124.159 0.101 A 74 TRP CZ2 C 13 114.200 0.145 A 74 TRP CZ3 C 13 121.863 0.014 A 74 TRP N N 15 117.792 0.2 A 74 TRP NE1 N 15 129.561 0.2 A 75 LEU H H 1 8.821 0.005 A 75 LEU HA H 1 3.781 0.013 A 75 LEU HB2 H 1 2.037 0.004 A 75 LEU HB3 H 1 1.306 0.002 A 75 LEU HD1% H 1 1.007 0.041 A 75 LEU HD2% H 1 0.864 0.001 A 75 LEU HG H 1 1.912 0.02 A 75 LEU C C 13 178.977 0.009 A 75 LEU CA C 13 58.161 0.13 A 75 LEU CB C 13 43.518 0.279 A 75 LEU CD1 C 13 23.329 0.1 A 75 LEU CD2 C 13 25.033 0.1 A 75 LEU CG C 13 27.719 0.1 A 75 LEU N N 15 120.355 0.009 A 76 ALA H H 1 8.813 0.005 A 76 ALA HA H 1 3.898 0.003 A 76 ALA HB% H 1 1.480 0.02 A 76 ALA C C 13 180.095 0.1 A 76 ALA CA C 13 55.928 0.157 A 76 ALA CB C 13 18.576 0.122 A 76 ALA N N 15 120.534 0.2 A 77 GLU H H 1 7.523 0.006 A 77 GLU HA H 1 3.975 0.01 A 77 GLU HBx H 1 2.051 0.007 A 77 GLU HBy H 1 2.051 0.007 A 77 GLU HGx H 1 2.395 0.02 A 77 GLU HGy H 1 2.395 0.02 A 77 GLU C C 13 178.914 0.006 A 77 GLU CA C 13 59.203 0.221 A 77 GLU CB C 13 29.623 0.216 A 77 GLU CG C 13 35.926 0.1 A 77 GLU N N 15 118.262 0.006 A 78 HIS H H 1 8.251 0.005 A 78 HIS HA H 1 4.094 0.02 A 78 HIS HB2 H 1 2.575 0.01 A 78 HIS HB3 H 1 2.057 0.028 A 78 HIS HD2 H 1 6.748 0.006 A 78 HIS C C 13 176.533 0.013 A 78 HIS CA C 13 58.658 0.209 A 78 HIS CB C 13 28.570 0.134 A 78 HIS CD2 C 13 118.875 0.353 A 78 HIS N N 15 119.448 0.013 A 79 LEU H H 1 8.890 0.005 A 79 LEU HA H 1 4.195 0.01 A 79 LEU HB2 H 1 1.915 0.016 A 79 LEU HB3 H 1 1.443 0.02 A 79 LEU HD1% H 1 0.882 0.059 A 79 LEU HD2% H 1 1.166 0.018 A 79 LEU HG H 1 1.542 0.008 A 79 LEU C C 13 178.262 0.025 A 79 LEU CA C 13 57.315 0.227 A 79 LEU CB C 13 42.117 0.171 A 79 LEU CD1 C 13 27.422 0.314 A 79 LEU CD2 C 13 24.510 0.133 A 79 LEU CG C 13 27.500 0.119 A 79 LEU N N 15 119.806 0.025 A 80 ALA H H 1 8.039 0.006 A 80 ALA HA H 1 4.105 0.02 A 80 ALA HB% H 1 1.490 0.003 A 80 ALA C C 13 180.168 0.001 A 80 ALA CA C 13 55.969 0.177 A 80 ALA CB C 13 18.243 0.187 A 80 ALA N N 15 120.264 0.001 A 81 ALA H H 1 7.525 0.008 A 81 ALA HA H 1 4.127 0.009 A 81 ALA HB% H 1 1.438 0.008 A 81 ALA C C 13 181.122 0.015 A 81 ALA CA C 13 55.018 0.009 A 81 ALA CB C 13 18.195 0.098 A 81 ALA N N 15 119.795 0.015 A 82 GLN H H 1 8.105 0.004 A 82 GLN HA H 1 3.632 0.009 A 82 GLN HB2 H 1 2.540 0.026 A 82 GLN HB3 H 1 1.460 0.024 A 82 GLN HE21 H 1 6.544 0.019 A 82 GLN HE22 H 1 5.649 0.015 A 82 GLN HG2 H 1 1.945 0.003 A 82 GLN HG3 H 1 0.703 0.01 A 82 GLN C C 13 178.696 0.013 A 82 GLN CA C 13 60.152 0.25 A 82 GLN CB C 13 29.019 0.154 A 82 GLN CG C 13 34.429 0.169 A 82 GLN N N 15 119.376 0.013 A 82 GLN NE2 N 15 109.141 0.2 A 83 LEU H H 1 8.724 0.005 A 83 LEU HA H 1 3.912 0.02 A 83 LEU HB2 H 1 1.929 0.009 A 83 LEU HB3 H 1 1.321 0.01 A 83 LEU HD1% H 1 0.934 0.006 A 83 LEU HD2% H 1 0.837 0.012 A 83 LEU HG H 1 1.164 0.02 A 83 LEU C C 13 179.228 0.031 A 83 LEU CA C 13 58.198 0.177 A 83 LEU CB C 13 40.429 0.184 A 83 LEU CD1 C 13 26.221 0.1 A 83 LEU CD2 C 13 22.273 0.1 A 83 LEU CG C 13 26.632 0.1 A 83 LEU N N 15 117.546 0.031 A 84 GLU H H 1 8.043 0.008 A 84 GLU HA H 1 4.096 0.006 A 84 GLU HBx H 1 2.075 0.022 A 84 GLU HBy H 1 2.075 0.022 A 84 GLU HGx H 1 2.317 0.013 A 84 GLU HGy H 1 2.317 0.013 A 84 GLU C C 13 178.702 0.019 A 84 GLU CA C 13 59.213 0.369 A 84 GLU CB C 13 29.455 0.192 A 84 GLU CG C 13 35.869 0.071 A 84 GLU N N 15 119.717 0.019 A 85 ALA H H 1 7.898 0.006 A 85 ALA HA H 1 4.119 0.005 A 85 ALA HB% H 1 1.535 0.004 A 85 ALA C C 13 181.255 0.008 A 85 ALA CA C 13 55.234 0.171 A 85 ALA CB C 13 18.614 0.445 A 85 ALA N N 15 121.618 0.008 A 86 ILE H H 1 8.399 0.025 A 86 ILE HA H 1 3.675 0.004 A 86 ILE HB H 1 1.949 0.008 A 86 ILE HD1% H 1 0.812 0.01 A 86 ILE HG12 H 1 2.306 0.027 A 86 ILE HG13 H 1 1.536 0.02 A 86 ILE HG2% H 1 0.879 0.014 A 86 ILE C C 13 176.842 0.012 A 86 ILE CA C 13 65.954 0.259 A 86 ILE CB C 13 38.243 0.352 A 86 ILE CD1 C 13 13.666 0.241 A 86 ILE CG1 C 13 29.660 1.309 A 86 ILE CG2 C 13 18.445 0.115 A 86 ILE N N 15 119.414 0.012 A 87 ALA H H 1 8.596 0.006 A 87 ALA HA H 1 3.875 0.018 A 87 ALA HB% H 1 1.535 0.01 A 87 ALA C C 13 180.634 0.022 A 87 ALA CA C 13 55.657 0.207 A 87 ALA CB C 13 18.354 0.201 A 87 ALA N N 15 122.299 0.022 A 88 ARG H H 1 8.128 0.003 A 88 ARG HA H 1 4.098 0.02 A 88 ARG HBx H 1 1.947 0.015 A 88 ARG HBy H 1 1.947 0.015 A 88 ARG HDx H 1 3.190 0.02 A 88 ARG HDy H 1 3.190 0.02 A 88 ARG HGx H 1 1.677 0.014 A 88 ARG HGy H 1 1.677 0.014 A 88 ARG C C 13 179.488 0.019 A 88 ARG CA C 13 59.520 0.164 A 88 ARG CB C 13 30.368 0.419 A 88 ARG CD C 13 42.798 0.1 A 88 ARG CG C 13 27.396 0.996 A 88 ARG N N 15 118.137 0.019 A 89 GLU H H 1 7.758 0.008 A 89 GLU HA H 1 4.294 0.01 A 89 GLU HBx H 1 2.294 0.015 A 89 GLU HBy H 1 2.294 0.015 A 89 GLU HGx H 1 2.438 0.011 A 89 GLU HGy H 1 2.438 0.011 A 89 GLU C C 13 178.420 0.011 A 89 GLU CA C 13 58.295 0.04 A 89 GLU CB C 13 29.791 0.169 A 89 GLU CG C 13 34.826 0.849 A 89 GLU N N 15 122.849 0.011 A 90 ALA H H 1 8.672 0.007 A 90 ALA HA H 1 3.782 0.013 A 90 ALA HB% H 1 1.320 0.006 A 90 ALA C C 13 179.810 0.016 A 90 ALA CA C 13 54.520 0.121 A 90 ALA CB C 13 18.311 0.186 A 90 ALA N N 15 120.373 0.016 A 91 SER H H 1 7.836 0.006 A 91 SER HA H 1 4.258 0.004 A 91 SER HBx H 1 4.025 0.014 A 91 SER HBy H 1 4.025 0.014 A 91 SER C C 13 175.857 0.022 A 91 SER CA C 13 61.130 0.223 A 91 SER CB C 13 63.083 0.159 A 91 SER N N 15 112.916 0.022 A 92 ALA H H 1 7.651 0.004 A 92 ALA HA H 1 4.230 0.009 A 92 ALA HB% H 1 1.367 0.009 A 92 ALA C C 13 178.627 0.02 A 92 ALA CA C 13 53.810 0.21 A 92 ALA CB C 13 18.614 0.248 A 92 ALA N N 15 124.047 0.02 A 93 TRP H H 1 7.628 0.002 A 93 TRP HA H 1 4.581 0.002 A 93 TRP HB2 H 1 3.218 0.019 A 93 TRP HB3 H 1 3.456 0.021 A 93 TRP HD1 H 1 7.319 0.007 A 93 TRP HE1 H 1 10.512 0.005 A 93 TRP HE3 H 1 7.704 0.02 A 93 TRP HH2 H 1 7.239 0.006 A 93 TRP HZ2 H 1 7.503 0.009 A 93 TRP HZ3 H 1 7.173 0.003 A 93 TRP C C 13 176.186 0.024 A 93 TRP CA C 13 57.851 0.143 A 93 TRP CB C 13 29.748 0.397 A 93 TRP CD1 C 13 127.183 0.138 A 93 TRP CE3 C 13 120.900 0.234 A 93 TRP CH2 C 13 124.583 0.191 A 93 TRP CZ2 C 13 114.781 0.141 A 93 TRP CZ3 C 13 122.055 0.1 A 93 TRP N N 15 118.194 0.024 A 93 TRP NE1 N 15 129.666 0.2 A 94 SER H H 1 8.007 0.004 A 94 SER HA H 1 4.331 0.002 A 94 SER HBx H 1 3.968 0.012 A 94 SER HBy H 1 3.968 0.012 A 94 SER C C 13 174.249 0.1 A 94 SER CA C 13 58.948 0.046 A 94 SER CB C 13 63.167 0.164 A 94 SER N N 15 114.523 0.2 A 95 LEU H H 1 7.950 0.003 A 95 LEU HA H 1 4.433 0.014 A 95 LEU HBx H 1 1.693 0.02 A 95 LEU HBy H 1 1.693 0.02 A 95 LEU HD1% H 1 0.981 0.043 A 95 LEU HD2% H 1 0.940 0.01 A 95 LEU HG H 1 1.724 0.02 A 95 LEU C C 13 177.195 0.006 A 95 LEU CA C 13 54.946 0.158 A 95 LEU CB C 13 42.115 0.188 A 95 LEU CD1 C 13 23.388 0.1 A 95 LEU CD2 C 13 24.963 0.885 A 95 LEU CG C 13 27.100 0.1 A 95 LEU N N 15 122.161 0.006 A 96 ARG H H 1 8.283 0.003 A 96 ARG HA H 1 4.312 0.011 A 96 ARG HBx H 1 1.790 0.02 A 96 ARG HBy H 1 1.790 0.02 A 96 ARG HDx H 1 3.295 0.02 A 96 ARG HDy H 1 3.295 0.02 A 96 ARG HGx H 1 1.900 0.013 A 96 ARG HGy H 1 1.900 0.013 A 96 ARG C C 13 175.415 0.004 A 96 ARG CA C 13 56.195 0.029 A 96 ARG CB C 13 30.973 0.172 A 96 ARG CD C 13 43.246 0.1 A 96 ARG CG C 13 27.204 0.428 A 96 ARG N N 15 122.604 0.004 A 97 GLU H H 1 8.070 0.002 A 97 GLU HA H 1 4.092 0.02 A 97 GLU HBx H 1 1.894 0.02 A 97 GLU HBy H 1 1.894 0.02 A 97 GLU HGx H 1 2.233 0.009 A 97 GLU HGy H 1 2.233 0.009 A 97 GLU C C 13 180.862 0.1 A 97 GLU CA C 13 58.093 0.229 A 97 GLU CB C 13 31.166 0.1 A 97 GLU CG C 13 36.091 0.1 A 97 GLU N N 15 127.110 0.2 A 98 TRP HD1 H 1 7.413 0.02 A 98 TRP HE1 H 1 10.282 0.02 A 98 TRP HE3 H 1 7.652 0.005 A 98 TRP HZ2 H 1 7.377 0.02 A 98 TRP CD1 C 13 127.624 0.1 A 98 TRP CE3 C 13 120.959 0.1 A 98 TRP CZ2 C 13 114.728 0.1 A 98 TRP NE1 N 15 129.516 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 34 PHE H A 35 ASP H 1.0 1.8 4.7 2 2 A 96 ARG HA A 97 GLU H 1.0 1.8 3.1 3 3 A 35 ASP H A 34 PHE HA 1.0 1.8 3.4 4 4 A 35 ASP H A 35 ASP HB3 1.0 1.8 3.9 5 5 A 35 ASP H A 35 ASP HB2 1.0 1.8 3.9 6 6 A 97 GLU H A 97 GLU HBx 1.0 1.8 4.6 7 6 A 97 GLU H A 97 GLU HBy 1.0 1.8 4.6 8 7 A 55 ASP H A 56 ASN H 1.0 1.8 3.3 9 8 A 55 ASP H A 53 ALA H 1.0 1.8 4.4 10 9 A 55 ASP H A 52 GLU HA 1.0 1.8 4.0 11 10 A 55 ASP H A 55 ASP HB3 1.0 1.8 3.6 12 11 A 55 ASP H A 55 ASP HB2 1.0 1.8 3.6 13 12 A 42 ARG H A 43 ALA H 1.0 1.8 3.5 14 13 A 43 ALA H A 43 ALA HB% 1.0 1.8 4.1 15 14 A 27 PHE H A 28 ALA H 1.0 1.8 3.2 16 15 A 4 ALA H A 4 ALA HB% 1.0 1.8 4.3 17 16 A 28 ALA H A 28 ALA HB% 1.0 1.8 4.2 18 17 A 21 CYS H A 22 ALA H 1.0 1.8 3.8 19 18 A 35 ASP HA A 36 ARG H 1.0 1.8 3.2 20 19 A 22 ALA H A 23 PRO HD2 1.0 1.8 4.0 21 20 A 22 ALA H A 23 PRO HD3 1.0 1.8 4.0 22 21 A 36 ARG H A 36 ARG HDx 1.0 1.8 5.1 23 21 A 36 ARG H A 36 ARG HDy 1.0 1.8 5.1 24 22 A 40 GLN H A 40 GLN HGx 1.0 1.8 4.9 25 22 A 40 GLN H A 40 GLN HGy 1.0 1.8 4.9 26 23 A 57 LEU H A 57 LEU HB2 1.0 1.8 3.7 27 24 A 22 ALA H A 22 ALA HB% 1.0 1.8 4.2 28 25 A 60 LEU H A 60 LEU HB2 1.0 1.8 3.5 29 26 A 36 ARG H A 36 ARG HGx 1.0 1.8 4.5 30 26 A 36 ARG H A 36 ARG HGy 1.0 1.8 4.5 31 27 A 60 LEU H A 59 ALA HB% 1.0 1.8 4.5 32 28 A 57 LEU H A 57 LEU HB3 1.0 1.8 3.7 33 29 A 60 LEU H A 60 LEU HB3 1.0 1.8 3.5 34 30 A 92 ALA H A 92 ALA HB% 1.0 1.8 4.1 35 31 A 60 LEU H A 60 LEU HD1% 1.0 1.8 5.0 36 32 A 60 LEU H A 60 LEU HD2% 1.0 1.8 5.9 37 33 A 60 LEU H A 79 LEU HD1% 1.0 1.8 6.5 38 34 A 29 THR HA A 30 LEU H 1.0 1.8 3.5 39 35 A 16 THR HB A 17 LEU H 1.0 1.8 3.8 40 36 A 13 GLN H A 12 GLY HAx 1.0 1.8 4.4 41 36 A 12 GLY HAy A 13 GLN H 1.0 1.8 4.4 42 37 A 52 GLU H A 52 GLU HGx 1.0 1.8 4.8 43 37 A 52 GLU H A 52 GLU HGy 1.0 1.8 4.8 44 38 A 52 GLU H A 52 GLU HB3 1.0 1.8 3.9 45 39 A 52 GLU H A 52 GLU HB2 1.0 1.8 3.9 46 40 A 13 GLN H A 13 GLN HBx 1.0 1.8 4.4 47 40 A 13 GLN H A 13 GLN HBy 1.0 1.8 4.4 48 41 A 17 LEU H A 17 LEU HB3 1.0 1.9 3.9 49 42 A 17 LEU H A 17 LEU HB2 1.0 1.9 3.9 50 43 A 30 LEU H A 29 THR HG2% 1.0 1.8 5.0 51 44 A 30 LEU H A 30 LEU HG 1.0 1.8 3.6 52 45 A 13 GLN H A 83 LEU HD1% 1.0 1.9 4.9 53 46 A 13 GLN H A 83 LEU HD2% 1.0 1.9 4.9 54 47 A 30 LEU H A 30 LEU HD1% 1.0 1.8 5.0 55 48 A 30 LEU H A 30 LEU HD2% 1.0 1.8 5.0 56 49 A 89 GLU H A 90 ALA H 1.0 1.8 3.7 57 50 A 89 GLU H A 88 ARG H 1.0 1.8 3.8 58 51 A 97 GLU H A 96 ARG H 1.0 1.8 4.1 59 52 A 34 PHE H A 33 ARG H 1.0 1.8 3.4 60 53 A 96 ARG H A 95 LEU HA 1.0 1.8 3.2 61 54 A 96 ARG H A 97 GLU HA 1.0 1.8 4.0 62 55 A 34 PHE H A 34 PHE HB2 1.0 1.8 3.5 63 56 A 34 PHE H A 34 PHE HB3 1.0 1.8 3.6 64 57 A 53 ALA H A 52 GLU HB3 1.0 1.8 4.0 65 58 A 89 GLU H A 89 GLU HGx 1.0 1.8 4.8 66 58 A 89 GLU H A 89 GLU HGy 1.0 1.8 4.8 67 59 A 53 ALA H A 52 GLU HB2 1.0 1.8 4.0 68 60 A 89 GLU H A 89 GLU HBx 1.0 1.8 4.9 69 60 A 89 GLU H A 89 GLU HBy 1.0 1.8 4.9 70 61 A 89 GLU H A 88 ARG HBx 1.0 1.8 5.1 71 61 A 89 GLU H A 88 ARG HBy 1.0 1.8 5.1 72 62 A 96 ARG H A 96 ARG HGx 1.0 1.8 4.8 73 62 A 96 ARG H A 96 ARG HGy 1.0 1.8 4.8 74 63 A 96 ARG H A 96 ARG HBx 1.0 1.8 4.6 75 63 A 96 ARG H A 96 ARG HBy 1.0 1.8 4.6 76 64 A 96 ARG H A 95 LEU HBx 1.0 1.8 5.1 77 64 A 96 ARG H A 95 LEU HBy 1.0 1.8 5.1 78 65 A 53 ALA H A 53 ALA HB% 1.0 1.8 4.1 79 66 A 30 LEU H A 30 LEU HB2 1.0 1.8 4.1 80 67 A 53 ALA H A 14 LEU HD1% 1.0 1.8 6.5 81 68 A 30 LEU H A 30 LEU HB3 1.0 1.8 4.1 82 69 A 53 ALA H A 14 LEU HD2% 1.0 1.8 6.5 83 70 A 53 ALA H A 86 ILE HD1% 1.0 1.8 6.5 84 71 A 57 LEU H A 58 ALA H 1.0 1.8 3.6 85 72 A 96 ARG H A 95 LEU H 1.0 1.8 4.0 86 73 A 58 ALA H A 59 ALA H 1.0 1.8 3.4 87 74 A 88 ARG H A 87 ALA H 1.0 1.8 3.7 88 75 A 45 THR HB A 46 LEU H 1.0 1.8 3.9 89 76 A 95 LEU H A 94 SER HA 1.0 1.8 3.4 90 77 A 31 SER HA A 32 ALA H 1.0 1.8 3.2 91 78 A 87 ALA H A 84 GLU HA 1.0 1.8 3.9 92 79 A 95 LEU H A 94 SER HBx 1.0 1.8 5.0 93 79 A 95 LEU H A 94 SER HBy 1.0 1.8 5.0 94 80 A 63 ALA H A 62 HIS HBx 1.0 1.8 4.6 95 80 A 62 HIS HBy A 63 ALA H 1.0 1.8 4.6 96 81 A 87 ALA H A 86 ILE HB 1.0 1.9 3.8 97 82 A 95 LEU H A 95 LEU HBx 1.0 1.8 4.1 98 82 A 95 LEU HBy A 95 LEU H 1.0 1.8 4.1 99 83 A 58 ALA H A 58 ALA HB% 1.0 1.8 3.9 100 84 A 87 ALA H A 87 ALA HB% 1.0 1.8 4.0 101 85 A 63 ALA H A 63 ALA HB% 1.0 1.8 4.1 102 86 A 32 ALA H A 32 ALA HB% 1.0 1.8 4.2 103 87 A 63 ALA H A 64 VAL HG1% 1.0 1.8 5.0 104 88 A 63 ALA H A 64 VAL HG2% 1.0 1.8 5.5 105 89 A 28 ALA HB% A 46 LEU H 1.0 1.8 4.6 106 90 A 56 ASN H A 57 LEU H 1.0 1.8 3.6 107 91 A 60 LEU H A 59 ALA H 1.0 1.8 3.7 108 92 A 64 VAL H A 65 GLU H 1.0 1.8 3.7 109 93 A 14 LEU H A 15 ALA H 1.0 1.8 3.8 110 94 A 85 ALA H A 86 ILE H 1.0 1.8 3.6 111 95 A 85 ALA H A 84 GLU H 1.0 1.8 3.3 112 96 A 5 LEU H A 6 LEU H 1.0 1.8 3.7 113 97 A 59 ALA H A 56 ASN HA 1.0 1.8 4.0 114 98 A 56 ASN H A 56 ASN HB3 1.0 1.8 3.8 115 99 A 56 ASN H A 56 ASN HB2 1.0 1.8 3.8 116 100 A 65 GLU H A 65 GLU HGx 1.0 1.8 5.0 117 100 A 65 GLU H A 65 GLU HGy 1.0 1.8 5.0 118 101 A 85 ALA H A 84 GLU HGx 1.0 1.8 5.0 119 101 A 85 ALA H A 84 GLU HGy 1.0 1.8 5.0 120 102 A 65 GLU H A 65 GLU HBx 1.0 1.8 4.4 121 102 A 65 GLU H A 65 GLU HBy 1.0 1.8 4.4 122 103 A 85 ALA H A 84 GLU HBx 1.0 1.8 4.4 123 103 A 85 ALA H A 84 GLU HBy 1.0 1.8 4.4 124 104 A 6 LEU H A 6 LEU HG 1.0 1.8 3.7 125 105 A 59 ALA HB% A 59 ALA H 1.0 1.8 4.0 126 106 A 9 LYS H A 9 LYS HDx 1.0 1.8 4.8 127 106 A 9 LYS H A 9 LYS HDy 1.0 1.8 4.8 128 107 A 6 LEU H A 6 LEU HBx 1.0 1.8 4.5 129 107 A 6 LEU H A 6 LEU HBy 1.0 1.8 4.5 130 108 A 15 ALA H A 15 ALA HB% 1.0 1.8 4.0 131 109 A 6 LEU H A 5 LEU HBx 1.0 1.9 4.8 132 109 A 6 LEU H A 5 LEU HBy 1.0 1.9 4.8 133 110 A 85 ALA H A 85 ALA HB% 1.0 1.8 4.1 134 111 A 50 LEU H A 50 LEU HB3 1.0 1.8 3.9 135 112 A 6 LEU H A 6 LEU HDx% 1.0 1.8 5.1 136 112 A 6 LEU H A 6 LEU HDy% 1.0 1.8 5.1 137 113 A 50 LEU H A 50 LEU HD1% 1.0 1.8 6.2 138 114 A 68 GLN HA A 69 LEU H 1.0 1.8 3.3 139 115 A 69 LEU H A 67 GLN HA 1.0 1.8 3.9 140 116 A 69 LEU H A 67 GLN HBx 1.0 1.8 5.0 141 116 A 69 LEU H A 67 GLN HBy 1.0 1.8 5.0 142 117 A 9 LYS H A 8 GLU HBx 1.0 1.8 4.6 143 117 A 9 LYS H A 8 GLU HBy 1.0 1.8 4.6 144 118 A 10 LEU H A 9 LYS HBx 1.0 1.8 4.5 145 118 A 9 LYS HBy A 10 LEU H 1.0 1.8 4.5 146 119 A 9 LYS H A 9 LYS HBx 1.0 1.8 4.1 147 119 A 9 LYS H A 9 LYS HBy 1.0 1.8 4.1 148 120 A 69 LEU H A 69 LEU HB2 1.0 1.8 3.8 149 121 A 69 LEU H A 69 LEU HG 1.0 1.8 4.0 150 122 A 69 LEU H A 69 LEU HD1% 1.0 1.8 5.0 151 123 A 50 LEU H A 51 ASP H 1.0 1.8 3.7 152 124 A 13 GLN H A 14 LEU H 1.0 1.8 3.5 153 125 A 76 ALA H A 77 GLU H 1.0 1.8 3.6 154 126 A 51 ASP H A 48 ALA HA 1.0 1.8 4.0 155 127 A 51 ASP H A 51 ASP HBx 1.0 1.8 4.6 156 127 A 51 ASP H A 51 ASP HBy 1.0 1.8 4.6 157 128 A 14 LEU H A 14 LEU HB2 1.0 1.8 3.6 158 129 A 75 LEU H A 75 LEU HB2 1.0 1.9 3.8 159 130 A 10 LEU H A 10 LEU HB3 1.0 1.8 4.0 160 131 A 18 ARG HE A 18 ARG HGx 1.0 1.8 4.9 161 131 A 18 ARG HGy A 18 ARG HE 1.0 1.8 4.9 162 132 A 80 ALA H A 80 ALA HB% 1.0 1.8 4.0 163 133 A 76 ALA H A 76 ALA HB% 1.0 1.8 4.0 164 134 A 14 LEU H A 14 LEU HB3 1.0 1.8 3.6 165 135 A 90 ALA H A 90 ALA HB% 1.0 1.8 4.2 166 136 A 51 ASP H A 50 LEU HB3 1.0 1.8 4.0 167 137 A 75 LEU H A 75 LEU HB3 1.0 1.9 3.8 168 138 A 10 LEU H A 10 LEU HB2 1.0 1.8 4.0 169 139 A 75 LEU H A 75 LEU HD1% 1.0 1.8 5.4 170 140 A 14 LEU H A 83 LEU HD1% 1.0 1.8 5.0 171 141 A 60 LEU HD2% A 76 ALA H 1.0 1.8 5.2 172 142 A 75 LEU H A 75 LEU HD2% 1.0 1.8 5.4 173 143 A 80 ALA H A 79 LEU H 1.0 1.8 3.6 174 144 A 47 GLN H A 48 ALA H 1.0 1.8 3.9 175 145 A 79 LEU H A 78 HIS H 1.0 1.8 3.7 176 146 A 48 ALA H A 49 CYS H 1.0 1.8 3.8 177 147 A 79 LEU H A 78 HIS HB2 1.0 1.8 3.9 178 148 A 79 LEU H A 78 HIS HB3 1.0 1.8 3.7 179 149 A 26 GLN H A 26 GLN HGx 1.0 1.8 4.8 180 149 A 26 GLN H A 26 GLN HGy 1.0 1.8 4.8 181 150 A 51 ASP H A 50 LEU HB2 1.0 1.8 4.0 182 151 A 79 LEU H A 79 LEU HB2 1.0 1.8 3.5 183 152 A 26 GLN H A 26 GLN HB2 1.0 1.8 3.7 184 153 A 5 LEU H A 5 LEU HBx 1.0 1.8 4.4 185 153 A 5 LEU H A 5 LEU HBy 1.0 1.8 4.4 186 154 A 79 LEU H A 79 LEU HG 1.0 1.7 4.2 187 155 A 72 VAL H A 73 ALA HB% 1.0 1.8 5.6 188 156 A 79 LEU H A 79 LEU HB3 1.0 1.8 3.5 189 157 A 4 ALA HB% A 5 LEU H 1.0 1.8 4.6 190 158 A 81 ALA H A 81 ALA HB% 1.0 1.8 4.0 191 159 A 5 LEU H A 5 LEU HDx% 1.0 1.8 4.9 192 159 A 5 LEU H A 5 LEU HDy% 1.0 1.8 4.9 193 160 A 14 LEU H A 83 LEU HD2% 1.0 1.8 5.0 194 161 A 60 LEU H A 61 ARG H 1.0 1.8 3.5 195 162 A 82 GLN H A 83 LEU H 1.0 1.8 3.8 196 163 A 17 LEU H A 18 ARG H 1.0 1.8 3.7 197 164 A 21 CYS H A 20 ARG H 1.0 1.8 3.7 198 165 A 67 GLN H A 68 GLN H 1.0 1.8 3.5 199 166 A 77 GLU H A 78 HIS H 1.0 1.8 3.3 200 167 A 81 ALA H A 82 GLN H 1.0 1.8 3.5 201 168 A 18 ARG H A 19 GLN H 1.0 1.8 3.8 202 169 A 20 ARG H A 19 GLN H 1.0 1.8 3.5 203 170 A 27 PHE H A 26 GLN H 1.0 1.8 3.5 204 171 A 68 GLN H A 66 GLN HA 1.0 1.8 5.5 205 172 A 82 GLN H A 79 LEU HA 1.0 1.8 4.0 206 173 A 67 GLN HA A 68 GLN H 1.0 1.8 3.4 207 174 A 78 HIS H A 78 HIS HB2 1.0 1.8 3.5 208 175 A 82 GLN H A 82 GLN HB2 1.0 1.8 3.7 209 176 A 84 GLU H A 84 GLU HGx 1.0 1.8 4.8 210 176 A 84 GLU H A 84 GLU HGy 1.0 1.8 4.8 211 177 A 72 VAL H A 72 VAL HB 1.0 1.9 3.8 212 178 A 68 GLN H A 68 GLN HGx 1.0 1.8 4.0 213 178 A 68 GLN H A 68 GLN HGy 1.0 1.8 4.0 214 179 A 20 ARG H A 19 GLN HBx 1.0 1.8 4.5 215 179 A 20 ARG H A 19 GLN HBy 1.0 1.8 4.5 216 180 A 11 GLU H A 11 GLU HB2 1.0 1.8 3.6 217 181 A 72 VAL H A 70 PRO HGx 1.0 1.8 6.1 218 181 A 72 VAL H A 70 PRO HGy 1.0 1.8 6.1 219 182 A 11 GLU H A 11 GLU HB3 1.0 1.8 3.6 220 183 A 84 GLU H A 84 GLU HBx 1.0 1.8 4.1 221 183 A 84 GLU H A 84 GLU HBy 1.0 1.8 4.1 222 184 A 78 HIS H A 78 HIS HB3 1.0 1.8 3.1 223 185 A 68 GLN H A 68 GLN HBx 1.0 1.8 4.4 224 185 A 68 GLN H A 68 GLN HBy 1.0 1.8 4.4 225 186 A 20 ARG H A 20 ARG HBx 1.0 1.8 4.2 226 186 A 20 ARG H A 20 ARG HBy 1.0 1.8 4.2 227 187 A 18 ARG H A 18 ARG HBx 1.0 1.8 4.4 228 187 A 18 ARG H A 18 ARG HBy 1.0 1.8 4.4 229 188 A 61 ARG H A 61 ARG HBx 1.0 1.8 4.2 230 188 A 61 ARG H A 61 ARG HBy 1.0 1.8 4.2 231 189 A 42 ARG H A 42 ARG HBx 1.0 1.8 4.6 232 189 A 42 ARG H A 42 ARG HBy 1.0 1.8 4.6 233 190 A 75 LEU H A 75 LEU HG 1.0 1.9 3.8 234 191 A 26 GLN H A 26 GLN HB3 1.0 1.8 3.7 235 192 A 5 LEU H A 5 LEU HG 1.0 1.8 3.6 236 193 A 42 ARG H A 42 ARG HGx 1.0 1.8 4.8 237 193 A 42 ARG H A 42 ARG HGy 1.0 1.8 4.8 238 194 A 61 ARG H A 61 ARG HGx 1.0 1.8 4.6 239 194 A 61 ARG H A 61 ARG HGy 1.0 1.8 4.6 240 195 A 86 ILE H A 85 ALA HB% 1.0 1.8 4.5 241 196 A 63 ALA HB% A 68 GLN H 1.0 1.8 4.8 242 197 A 76 ALA HB% A 78 HIS H 1.0 1.8 5.8 243 198 A 82 GLN H A 82 GLN HB3 1.0 1.8 3.7 244 199 A 60 LEU HD1% A 72 VAL H 1.0 1.8 5.1 245 200 A 18 ARG H A 17 LEU HD2% 1.0 1.8 5.1 246 201 A 68 GLN H A 69 LEU HD1% 1.0 1.8 5.2 247 202 A 72 VAL H A 72 VAL HG1% 1.0 1.8 4.8 248 203 A 73 ALA H A 72 VAL HG1% 1.0 1.8 5.0 249 204 A 60 LEU HD2% A 61 ARG H 1.0 1.8 4.7 250 205 A 86 ILE H A 86 ILE HG2% 1.0 1.8 4.8 251 206 A 18 ARG H A 17 LEU HD1% 1.0 1.8 5.1 252 207 A 68 GLN H A 69 LEU HD2% 1.0 1.8 5.2 253 208 A 72 VAL H A 73 ALA H 1.0 1.8 3.7 254 209 A 73 ALA H A 74 TRP H 1.0 1.8 3.7 255 210 A 11 GLU H A 11 GLU HGx 1.0 1.8 4.7 256 210 A 11 GLU H A 11 GLU HGy 1.0 1.8 4.7 257 211 A 72 VAL HB A 73 ALA H 1.0 1.8 3.5 258 212 A 7 LEU H A 7 LEU HB2 1.0 1.8 3.7 259 213 A 7 LEU H A 7 LEU HB3 1.0 1.8 3.7 260 214 A 73 ALA HB% A 73 ALA H 1.0 1.8 4.1 261 215 A 73 ALA H A 72 VAL HG2% 1.0 1.8 5.0 262 216 A 26 GLN H A 25 SER H 1.0 1.8 4.0 263 217 A 63 ALA H A 64 VAL H 1.0 1.8 3.5 264 218 A 50 LEU H A 49 CYS H 1.0 1.8 3.8 265 219 A 25 SER H A 24 VAL H 1.0 1.8 3.2 266 220 A 25 SER H A 24 VAL HA 1.0 1.8 3.5 267 221 A 25 SER H A 25 SER HBx 1.0 1.8 4.6 268 221 A 25 SER H A 25 SER HBy 1.0 1.8 4.6 269 222 A 93 TRP H A 93 TRP HB3 1.0 1.8 3.8 270 223 A 93 TRP H A 93 TRP HB2 1.0 1.8 3.8 271 224 A 49 CYS H A 49 CYS HB2 1.0 1.8 4.1 272 225 A 64 VAL H A 64 VAL HB 1.0 1.8 3.7 273 226 A 77 GLU H A 77 GLU HBx 1.0 1.8 4.3 274 226 A 77 GLU H A 77 GLU HBy 1.0 1.8 4.3 275 227 A 38 LEU H A 38 LEU HB2 1.0 1.8 4.1 276 228 A 63 ALA HB% A 64 VAL H 1.0 1.8 4.6 277 229 A 88 ARG H A 87 ALA HB% 1.0 1.8 4.6 278 230 A 49 CYS H A 48 ALA HB% 1.0 1.8 4.5 279 231 A 77 GLU H A 76 ALA HB% 1.0 1.8 4.5 280 232 A 92 ALA HB% A 93 TRP H 1.0 1.9 4.8 281 233 A 38 LEU H A 38 LEU HG 1.0 1.8 3.8 282 234 A 64 VAL HG1% A 64 VAL H 1.0 1.8 4.3 283 235 A 64 VAL HG2% A 64 VAL H 1.0 1.8 4.6 284 236 A 7 LEU H A 7 LEU HDx% 1.0 1.8 5.0 285 236 A 7 LEU H A 7 LEU HDy% 1.0 1.8 5.0 286 237 A 25 SER H A 24 VAL HG2% 1.0 1.8 5.1 287 238 A 75 LEU H A 74 TRP H 1.0 1.8 3.6 288 239 A 72 VAL H A 71 GLN H 1.0 1.8 3.4 289 240 A 7 LEU H A 8 GLU H 1.0 1.8 3.8 290 241 A 45 THR HB A 47 GLN H 1.0 1.8 4.0 291 242 A 74 TRP H A 74 TRP HB3 1.0 1.8 3.4 292 243 A 74 TRP H A 74 TRP HB2 1.0 1.8 3.4 293 244 A 71 GLN H A 71 GLN HGx 1.0 1.8 5.0 294 244 A 71 GLN H A 71 GLN HGy 1.0 1.8 5.0 295 245 A 19 GLN H A 19 GLN HGx 1.0 1.8 5.0 296 245 A 19 GLN H A 19 GLN HGy 1.0 1.8 5.0 297 246 A 8 GLU H A 8 GLU HG3 1.0 1.8 4.1 298 247 A 77 GLU H A 77 GLU HGx 1.0 1.8 4.8 299 247 A 77 GLU H A 77 GLU HGy 1.0 1.8 4.8 300 248 A 8 GLU H A 8 GLU HBx 1.0 1.8 4.3 301 248 A 8 GLU HBy A 8 GLU H 1.0 1.8 4.3 302 249 A 47 GLN H A 47 GLN HB2 1.0 1.8 3.8 303 250 A 19 GLN H A 18 ARG HBx 1.0 1.8 4.8 304 250 A 19 GLN H A 18 ARG HBy 1.0 1.8 4.8 305 251 A 83 LEU H A 83 LEU HB2 1.0 1.8 3.9 306 252 A 47 GLN H A 47 GLN HB3 1.0 1.8 3.8 307 253 A 8 GLU H A 7 LEU HB2 1.0 1.8 3.9 308 254 A 8 GLU H A 7 LEU HB3 1.0 1.8 3.9 309 255 A 83 LEU H A 82 GLN HB3 1.0 1.8 4.2 310 256 A 73 ALA HB% A 74 TRP H 1.0 1.8 4.4 311 257 A 47 GLN H A 46 LEU HBx 1.0 1.8 4.9 312 257 A 47 GLN H A 46 LEU HBy 1.0 1.8 4.9 313 258 A 83 LEU H A 83 LEU HB3 1.0 1.8 3.9 314 259 A 8 GLU H A 7 LEU HDx% 1.0 1.8 5.1 315 259 A 7 LEU HDy% A 8 GLU H 1.0 1.8 5.1 316 260 A 83 LEU H A 83 LEU HD2% 1.0 1.8 5.1 317 261 A 38 LEU H A 39 PHE H 1.0 1.8 3.5 318 262 A 40 GLN HA A 41 THR H 1.0 1.8 3.3 319 263 A 39 PHE H A 39 PHE HB3 1.0 1.8 3.9 320 264 A 39 PHE H A 39 PHE HB2 1.0 1.8 3.9 321 265 A 8 GLU H A 8 GLU HG2 1.0 1.8 4.1 322 266 A 67 GLN H A 67 GLN HBx 1.0 1.8 4.7 323 266 A 67 GLN HBy A 67 GLN H 1.0 1.8 4.7 324 267 A 67 GLN H A 67 GLN HGx 1.0 1.9 4.9 325 267 A 67 GLN H A 67 GLN HGy 1.0 1.9 4.9 326 268 A 19 GLN H A 19 GLN HBx 1.0 1.8 4.2 327 268 A 19 GLN H A 19 GLN HBy 1.0 1.8 4.2 328 269 A 61 ARG H A 62 HIS H 1.0 1.8 3.6 329 270 A 63 ALA H A 62 HIS H 1.0 1.8 3.5 330 271 A 62 HIS H A 62 HIS HBx 1.0 1.8 4.1 331 271 A 62 HIS HBy A 62 HIS H 1.0 1.8 4.1 332 272 A 62 HIS H A 61 ARG HBx 1.0 1.8 4.5 333 272 A 61 ARG HBy A 62 HIS H 1.0 1.8 4.5 334 273 A 62 HIS H A 61 ARG HGx 1.0 1.8 4.9 335 273 A 61 ARG HGy A 62 HIS H 1.0 1.8 4.9 336 274 A 41 THR H A 41 THR HG2% 1.0 1.8 4.6 337 275 A 29 THR H A 29 THR HB 1.0 1.8 3.7 338 276 A 29 THR H A 28 ALA HA 1.0 1.8 3.1 339 277 A 28 ALA HB% A 29 THR H 1.0 1.8 4.6 340 278 A 36 ARG H A 37 HIS H 1.0 1.8 3.7 341 279 A 38 LEU H A 37 HIS H 1.0 1.8 3.7 342 280 A 16 THR HB A 16 THR H 1.0 1.8 3.4 343 281 A 16 THR H A 13 GLN HA 1.0 1.8 3.7 344 282 A 37 HIS H A 37 HIS HB3 1.0 1.8 3.6 345 283 A 37 HIS H A 37 HIS HB2 1.0 1.8 3.6 346 284 A 15 ALA HB% A 16 THR H 1.0 1.8 4.4 347 285 A 16 THR H A 16 THR HG2% 1.0 1.8 4.8 348 286 A 29 THR HG2% A 29 THR H 1.0 1.8 4.8 349 287 A 94 SER H A 94 SER HBx 1.0 1.8 4.6 350 287 A 94 SER HBy A 94 SER H 1.0 1.8 4.6 351 288 A 3 THR H A 2 LYS HBx 1.0 1.8 5.1 352 288 A 2 LYS HBy A 3 THR H 1.0 1.8 5.1 353 289 A 33 ARG H A 32 ALA H 1.0 1.8 3.9 354 290 A 93 TRP H A 94 SER H 1.0 1.8 3.6 355 291 A 27 PHE H A 27 PHE HB3 1.0 1.8 4.0 356 292 A 27 PHE H A 27 PHE HB2 1.0 1.8 4.0 357 293 A 66 GLN H A 66 GLN HB2 1.0 1.8 3.5 358 294 A 33 ARG H A 33 ARG HBx 1.0 1.8 4.7 359 294 A 33 ARG H A 33 ARG HBy 1.0 1.8 4.7 360 295 A 33 ARG H A 33 ARG HGx 1.0 1.8 4.5 361 295 A 33 ARG H A 33 ARG HGy 1.0 1.8 4.5 362 296 A 33 ARG H A 32 ALA HB% 1.0 1.8 4.5 363 297 A 65 GLU H A 66 GLN H 1.0 1.8 3.6 364 298 A 67 GLN H A 66 GLN H 1.0 1.8 3.5 365 299 A 66 GLN H A 66 GLN HGx 1.0 1.8 4.3 366 299 A 66 GLN H A 66 GLN HGy 1.0 1.8 4.3 367 300 A 66 GLN H A 66 GLN HB3 1.0 1.8 3.5 368 301 A 92 ALA H A 91 SER H 1.0 1.8 3.6 369 302 A 91 SER H A 91 SER HBx 1.0 1.8 4.3 370 302 A 91 SER H A 91 SER HBy 1.0 1.8 4.3 371 303 A 90 ALA HB% A 91 SER H 1.0 1.8 4.6 372 304 A 71 GLN H A 71 GLN HE21 1.0 1.8 3.9 373 305 A 21 CYS H A 21 CYS HB2 1.0 1.8 4.0 374 306 A 21 CYS H A 21 CYS HB3 1.0 1.8 4.0 375 307 A 68 GLN HE21 A 68 GLN HGx 1.0 1.8 5.0 376 307 A 68 GLN HGy A 68 GLN HE21 1.0 1.8 5.0 377 308 A 68 GLN HE22 A 68 GLN HGx 1.0 1.8 5.0 378 308 A 68 GLN HGy A 68 GLN HE22 1.0 1.8 5.0 379 309 A 21 CYS H A 20 ARG HBx 1.0 1.9 4.9 380 309 A 21 CYS H A 20 ARG HBy 1.0 1.9 4.9 381 310 A 48 ALA HB% A 44 THR H 1.0 1.8 4.8 382 311 A 43 ALA HB% A 44 THR H 1.0 1.8 4.6 383 312 A 44 THR H A 44 THR HG2% 1.0 1.8 4.5 384 313 A 44 THR H A 45 THR H 1.0 1.8 3.4 385 314 A 45 THR HB A 45 THR H 1.0 1.8 4.1 386 315 A 45 THR H A 44 THR HA 1.0 1.8 3.5 387 316 A 48 ALA HB% A 45 THR H 1.0 1.8 4.2 388 317 A 43 ALA HB% A 45 THR H 1.0 1.8 4.8 389 318 A 45 THR H A 45 THR HG2% 1.0 1.8 4.7 390 319 A 24 VAL H A 24 VAL HG1% 1.0 1.8 4.8 391 320 A 24 VAL H A 24 VAL HG2% 1.0 1.8 4.8 392 321 A 13 GLN H A 12 GLY H 1.0 1.8 3.4 393 322 A 12 GLY H A 9 LYS HA 1.0 1.8 3.6 394 323 A 11 GLU HB2 A 12 GLY H 1.0 1.8 3.9 395 324 A 11 GLU HB3 A 12 GLY H 1.0 1.8 3.9 396 325 A 55 ASP H A 54 GLY H 1.0 1.8 3.9 397 326 A 53 ALA HB% A 54 GLY H 1.0 1.8 4.7 398 327 A 54 GLY H A 14 LEU HD1% 1.0 1.8 5.5 399 328 A 24 VAL H A 24 VAL HB 1.0 1.8 4.2 400 329 A 31 SER H A 31 SER HBx 1.0 1.8 4.5 401 329 A 31 SER H A 31 SER HBy 1.0 1.8 4.5 402 330 A 33 ARG H A 33 ARG HDx 1.0 1.8 5.6 403 330 A 33 ARG H A 33 ARG HDy 1.0 1.8 5.6 404 331 A 38 LEU H A 38 LEU HB3 1.0 1.8 4.1 405 332 A 49 CYS H A 49 CYS HB3 1.0 1.8 4.1 406 333 A 50 LEU H A 50 LEU HB2 1.0 1.8 3.9 407 334 A 50 LEU H A 50 LEU HD2% 1.0 1.8 6.2 408 335 A 61 ARG H A 62 HIS HBx 1.0 1.8 5.7 409 335 A 62 HIS HBy A 61 ARG H 1.0 1.8 5.7 410 336 A 71 GLN H A 68 GLN HBx 1.0 1.8 4.7 411 336 A 68 GLN HBy A 71 GLN H 1.0 1.8 4.7 412 337 A 79 LEU H A 79 LEU HD2% 1.0 1.8 5.2 413 338 A 83 LEU H A 83 LEU HD1% 1.0 1.8 5.1 414 339 A 83 LEU H A 83 LEU HG 1.0 1.8 4.2 415 340 A 97 GLU H A 97 GLU HGx 1.0 1.8 5.3 416 340 A 97 GLU H A 97 GLU HGy 1.0 1.8 5.3 417 341 A 3 THR H A 3 THR HG2% 1.0 1.8 5.2 418 342 A 4 ALA H A 3 THR H 1.0 1.8 4.1 419 343 A 4 ALA H A 2 LYS HBx 1.0 1.8 5.8 420 343 A 4 ALA H A 2 LYS HBy 1.0 1.8 5.8 421 344 A 4 ALA H A 5 LEU H 1.0 1.8 3.6 422 345 A 88 ARG H A 88 ARG HBx 1.0 1.8 4.6 423 345 A 88 ARG H A 88 ARG HBy 1.0 1.8 4.6 424 346 A 75 LEU H A 74 TRP HB3 1.0 1.8 4.2 425 347 A 11 GLU H A 12 GLY H 1.0 1.8 3.6 426 348 A 10 LEU H A 11 GLU H 1.0 1.8 3.7 427 349 A 10 LEU H A 10 LEU HD1% 1.0 1.8 6.1 428 350 A 10 LEU H A 10 LEU HD2% 1.0 1.8 6.1 429 351 A 11 GLU H A 10 LEU HB2 1.0 1.8 4.5 430 352 A 11 GLU H A 10 LEU HB3 1.0 1.8 4.5 431 353 A 12 GLY H A 11 GLU HGx 1.0 1.8 5.2 432 353 A 11 GLU HGy A 12 GLY H 1.0 1.8 5.2 433 354 A 14 LEU H A 12 GLY H 1.0 1.8 4.8 434 355 A 13 GLN H A 11 GLU H 1.0 1.8 4.4 435 356 A 14 LEU H A 13 GLN HBx 1.0 1.8 5.0 436 356 A 13 GLN HBy A 14 LEU H 1.0 1.8 5.0 437 357 A 15 ALA H A 16 THR H 1.0 1.8 3.5 438 358 A 16 THR H A 17 LEU HB2 1.0 1.8 5.5 439 359 A 16 THR H A 19 GLN HBx 1.0 1.8 5.5 440 359 A 19 GLN HBy A 16 THR H 1.0 1.8 5.5 441 360 A 16 THR H A 17 LEU HB3 1.0 1.8 5.5 442 361 A 17 LEU H A 16 THR HG2% 1.0 1.8 5.2 443 362 A 17 LEU H A 16 THR HA 1.0 1.8 3.6 444 363 A 18 ARG H A 18 ARG HGx 1.0 1.8 4.5 445 363 A 18 ARG HGy A 18 ARG H 1.0 1.8 4.5 446 364 A 18 ARG H A 19 GLN HBx 1.0 1.8 5.7 447 364 A 18 ARG H A 19 GLN HBy 1.0 1.8 5.7 448 365 A 18 ARG H A 18 ARG HDx 1.0 1.8 5.5 449 365 A 18 ARG H A 18 ARG HDy 1.0 1.8 5.5 450 366 A 18 ARG HE A 50 LEU HD2% 1.0 1.8 5.6 451 367 A 18 ARG HE A 50 LEU HD1% 1.0 1.8 5.6 452 368 A 19 GLN H A 16 THR HA 1.0 1.8 4.2 453 369 A 19 GLN H A 18 ARG HGx 1.0 1.8 5.0 454 369 A 18 ARG HGy A 19 GLN H 1.0 1.8 5.0 455 370 A 19 GLN H A 50 LEU HD1% 1.0 1.8 5.8 456 371 A 20 ARG H A 20 ARG HGx 1.0 1.8 5.2 457 371 A 20 ARG H A 20 ARG HGy 1.0 1.8 5.2 458 372 A 20 ARG H A 21 CYS HA 1.0 1.8 5.2 459 373 A 21 CYS H A 18 ARG HA 1.0 1.8 4.6 460 374 A 10 LEU H A 7 LEU HA 1.0 1.8 4.0 461 375 A 21 CYS H A 18 ARG HGx 1.0 1.8 6.2 462 375 A 21 CYS H A 18 ARG HGy 1.0 1.8 6.2 463 376 A 21 CYS H A 20 ARG HGx 1.0 1.8 5.7 464 376 A 21 CYS H A 20 ARG HGy 1.0 1.8 5.7 465 377 A 21 CYS H A 22 ALA HB% 1.0 1.8 5.5 466 378 A 21 CYS H A 50 LEU HD1% 1.0 1.8 5.9 467 379 A 21 CYS H A 50 LEU HD2% 1.0 1.8 5.9 468 380 A 22 ALA H A 20 ARG HBx 1.0 1.8 5.7 469 380 A 22 ALA H A 20 ARG HBy 1.0 1.8 5.7 470 381 A 22 ALA H A 20 ARG HA 1.0 1.7 4.2 471 382 A 22 ALA H A 20 ARG H 1.0 1.8 4.9 472 383 A 22 ALA H A 24 VAL H 1.0 1.8 5.2 473 384 A 24 VAL H A 23 PRO HD3 1.0 1.8 5.1 474 385 A 24 VAL H A 23 PRO HD2 1.0 1.8 5.1 475 386 A 24 VAL H A 25 SER HBx 1.0 1.8 6.4 476 386 A 24 VAL H A 25 SER HBy 1.0 1.8 6.4 477 387 A 24 VAL H A 22 ALA HA 1.0 1.8 4.4 478 388 A 24 VAL H A 23 PRO HGx 1.0 1.8 5.6 479 388 A 24 VAL H A 23 PRO HGy 1.0 1.8 5.6 480 389 A 25 SER H A 24 VAL HG1% 1.0 1.8 5.1 481 390 A 26 GLN H A 24 VAL H 1.0 1.8 5.1 482 391 A 28 ALA H A 26 GLN H 1.0 1.8 4.6 483 392 A 26 GLN H A 27 PHE HA 1.0 1.8 5.5 484 393 A 26 GLN H A 25 SER HBx 1.0 1.8 5.3 485 393 A 26 GLN H A 25 SER HBy 1.0 1.8 5.3 486 394 A 27 PHE H A 28 ALA HB% 1.0 1.8 5.3 487 395 A 27 PHE H A 26 GLN HB3 1.0 1.8 4.6 488 396 A 27 PHE H A 26 GLN HB2 1.0 1.8 4.6 489 397 A 27 PHE H A 26 GLN HGx 1.0 1.8 6.0 490 397 A 27 PHE H A 26 GLN HGy 1.0 1.8 6.0 491 398 A 27 PHE H A 25 SER HA 1.0 1.8 5.1 492 399 A 27 PHE H A 25 SER HBx 1.0 1.8 6.5 493 399 A 27 PHE H A 25 SER HBy 1.0 1.8 6.5 494 400 A 27 PHE H A 25 SER H 1.0 1.8 5.0 495 401 A 28 ALA H A 27 PHE HB3 1.0 1.8 4.5 496 402 A 28 ALA H A 27 PHE HB2 1.0 1.8 4.5 497 403 A 29 THR H A 45 THR HA 1.0 1.8 4.5 498 404 A 28 ALA H A 29 THR H 1.0 1.8 4.5 499 405 A 30 LEU H A 31 SER H 1.0 1.8 4.9 500 406 A 31 SER H A 30 LEU HD2% 1.0 1.8 6.3 501 407 A 31 SER H A 30 LEU HD1% 1.0 1.8 6.3 502 408 A 31 SER H A 30 LEU HB3 1.0 1.8 5.2 503 409 A 31 SER H A 30 LEU HB2 1.0 1.8 5.2 504 410 A 32 ALA H A 33 ARG HGx 1.0 1.8 5.8 505 410 A 32 ALA H A 33 ARG HGy 1.0 1.8 5.8 506 411 A 34 PHE H A 32 ALA H 1.0 1.8 4.8 507 412 A 32 ALA H A 31 SER H 1.0 1.8 5.1 508 413 A 33 ARG H A 31 SER HBx 1.0 1.8 4.9 509 413 A 33 ARG H A 31 SER HBy 1.0 1.8 4.9 510 414 A 34 PHE H A 34 PHE HE% 1.0 1.7 5.5 511 415 A 34 PHE H A 34 PHE HD% 1.0 1.8 5.7 512 416 A 34 PHE H A 33 ARG HBx 1.0 1.8 5.6 513 416 A 34 PHE H A 33 ARG HBy 1.0 1.8 5.6 514 417 A 33 ARG H A 34 PHE HB3 1.0 1.8 4.7 515 418 A 33 ARG HE A 33 ARG HBx 1.0 1.8 5.8 516 418 A 33 ARG HBy A 33 ARG HE 1.0 1.8 5.8 517 419 A 34 PHE H A 33 ARG HGx 1.0 1.8 5.3 518 419 A 34 PHE H A 33 ARG HGy 1.0 1.8 5.3 519 420 A 34 PHE H A 32 ALA HB% 1.0 1.8 5.7 520 421 A 35 ASP H A 39 PHE HE% 1.0 1.8 5.4 521 422 A 35 ASP H A 34 PHE HB2 1.0 1.8 4.7 522 423 A 35 ASP H A 85 ALA HB% 1.0 1.8 5.7 523 424 A 36 ARG H A 38 LEU H 1.0 1.8 4.9 524 425 A 36 ARG H A 34 PHE HE% 1.0 1.8 5.8 525 426 A 35 ASP H A 36 ARG H 1.0 1.8 4.7 526 427 A 36 ARG HE A 36 ARG HBx 1.0 1.8 5.6 527 427 A 36 ARG HBy A 36 ARG HE 1.0 1.8 5.6 528 428 A 37 HIS H A 36 ARG HGx 1.0 1.8 5.2 529 428 A 36 ARG HGy A 37 HIS H 1.0 1.8 5.2 530 429 A 37 HIS H A 36 ARG HBx 1.0 1.8 5.3 531 429 A 37 HIS H A 36 ARG HBy 1.0 1.8 5.3 532 430 A 38 LEU HG A 37 HIS H 1.0 1.8 4.7 533 431 A 35 ASP H A 38 LEU H 1.0 1.8 4.5 534 432 A 38 LEU H A 36 ARG HA 1.0 1.8 4.6 535 433 A 37 HIS H A 38 LEU HA 1.0 1.8 5.2 536 434 A 38 LEU H A 37 HIS HB3 1.0 1.8 5.0 537 435 A 38 LEU H A 37 HIS HB2 1.0 1.8 5.0 538 436 A 38 LEU H A 38 LEU HD2% 1.0 1.8 5.0 539 437 A 38 LEU H A 38 LEU HD1% 1.0 1.8 5.0 540 438 A 38 LEU HG A 39 PHE H 1.0 1.8 4.8 541 439 A 39 PHE H A 36 ARG HA 1.0 1.8 4.6 542 440 A 35 ASP H A 39 PHE H 1.0 1.7 4.2 543 441 A 39 PHE H A 37 HIS H 1.0 1.8 4.9 544 442 A 40 GLN H A 39 PHE H 1.0 1.8 4.5 545 443 A 40 GLN H A 41 THR H 1.0 1.8 4.7 546 444 A 38 LEU H A 39 PHE HA 1.0 1.8 5.1 547 445 A 40 GLN H A 39 PHE HB3 1.0 1.8 4.8 548 446 A 40 GLN H A 39 PHE HB2 1.0 1.8 4.8 549 447 A 41 THR H A 40 GLN HB3 1.0 1.8 4.3 550 448 A 41 THR H A 40 GLN HB2 1.0 1.8 4.1 551 449 A 41 THR H A 40 GLN HGx 1.0 1.8 5.2 552 449 A 40 GLN HGy A 41 THR H 1.0 1.8 5.2 553 450 A 42 ARG H A 41 THR H 1.0 1.8 4.4 554 451 A 43 ALA H A 42 ARG HGx 1.0 1.8 5.1 555 451 A 43 ALA H A 42 ARG HGy 1.0 1.8 5.1 556 452 A 43 ALA H A 41 THR HA 1.0 1.8 4.3 557 453 A 43 ALA H A 44 THR H 1.0 1.8 4.2 558 454 A 44 THR H A 45 THR HA 1.0 1.8 4.7 559 455 A 43 ALA H A 40 GLN HB3 1.0 1.8 4.8 560 456 A 43 ALA H A 40 GLN HGx 1.0 1.8 6.0 561 456 A 43 ALA H A 40 GLN HGy 1.0 1.8 6.0 562 457 A 43 ALA H A 40 GLN HB2 1.0 1.8 4.7 563 458 A 43 ALA H A 41 THR HG2% 1.0 1.8 5.1 564 459 A 43 ALA H A 44 THR HG2% 1.0 1.8 5.7 565 460 A 30 LEU H A 45 THR H 1.0 1.8 5.5 566 461 A 46 LEU H A 45 THR H 1.0 1.8 4.8 567 462 A 45 THR H A 30 LEU HD1% 1.0 1.8 5.7 568 463 A 45 THR H A 30 LEU HD2% 1.0 1.8 5.7 569 464 A 56 ASN H A 53 ALA HA 1.0 1.8 4.1 570 465 A 46 LEU H A 46 LEU HD2% 1.0 1.8 5.1 571 466 A 46 LEU H A 46 LEU HD1% 1.0 1.8 5.1 572 467 A 46 LEU H A 46 LEU HG 1.0 1.8 3.5 573 468 A 46 LEU H A 46 LEU HBx 1.0 1.8 4.6 574 468 A 46 LEU H A 46 LEU HBy 1.0 1.8 4.6 575 469 A 45 THR HB A 48 ALA H 1.0 1.8 4.4 576 470 A 48 ALA H A 47 GLN HB3 1.0 1.8 4.2 577 471 A 48 ALA H A 47 GLN HB2 1.0 1.8 4.2 578 472 A 48 ALA H A 51 ASP HBx 1.0 1.8 6.5 579 472 A 51 ASP HBy A 48 ALA H 1.0 1.8 6.5 580 473 A 51 ASP H A 49 CYS H 1.0 1.8 4.3 581 474 A 49 CYS H A 46 LEU HA 1.0 1.8 4.2 582 475 A 48 ALA H A 48 ALA HB% 1.0 1.8 4.2 583 476 A 51 ASP H A 48 ALA HB% 1.0 1.8 6.1 584 477 A 52 GLU H A 49 CYS HA 1.0 1.8 4.3 585 478 A 53 ALA H A 52 GLU H 1.0 1.8 3.5 586 479 A 52 GLU H A 51 ASP H 1.0 1.8 3.7 587 480 A 53 ALA H A 52 GLU HGx 1.0 1.8 5.4 588 480 A 53 ALA H A 52 GLU HGy 1.0 1.8 5.4 589 481 A 53 ALA H A 54 GLY HA2 1.0 1.8 5.5 590 482 A 53 ALA H A 49 CYS HA 1.0 1.8 4.4 591 483 A 53 ALA H A 50 LEU HA 1.0 1.7 4.5 592 484 A 53 ALA H A 54 GLY H 1.0 1.8 3.4 593 485 A 52 GLU H A 54 GLY H 1.0 1.8 4.7 594 486 A 54 GLY H A 51 ASP HA 1.0 1.8 4.5 595 487 A 52 GLU HA A 54 GLY H 1.0 1.8 4.5 596 488 A 54 GLY H A 82 GLN HE22 1.0 1.8 5.3 597 489 A 54 GLY H A 52 GLU HGx 1.0 1.8 6.5 598 489 A 52 GLU HGy A 54 GLY H 1.0 1.8 6.5 599 490 A 54 GLY H A 14 LEU HD2% 1.0 1.8 5.5 600 491 A 55 ASP H A 57 LEU H 1.0 1.8 4.6 601 492 A 55 ASP H A 52 GLU H 1.0 1.8 5.3 602 493 A 55 ASP H A 58 ALA H 1.0 1.8 5.5 603 494 A 55 ASP H A 53 ALA HA 1.0 1.8 4.6 604 495 A 55 ASP H A 51 ASP HA 1.0 1.8 4.7 605 496 A 55 ASP H A 53 ALA HB% 1.0 1.8 5.9 606 497 A 56 ASN H A 52 GLU HA 1.0 1.8 4.5 607 498 A 56 ASN H A 58 ALA H 1.0 1.8 5.4 608 499 A 87 ALA H A 86 ILE H 1.0 1.8 3.5 609 500 A 57 LEU H A 59 ALA H 1.0 1.8 4.8 610 501 A 57 LEU H A 56 ASN HB3 1.0 1.8 4.7 611 502 A 57 LEU H A 79 LEU HD2% 1.0 1.8 5.4 612 503 A 57 LEU H A 57 LEU HG 1.0 1.8 4.0 613 504 A 57 LEU H A 56 ASN HB2 1.0 1.8 4.7 614 505 A 82 GLN HE22 A 56 ASN HD22 1.0 1.8 5.1 615 506 A 82 GLN HE22 A 56 ASN HD21 1.0 1.8 5.1 616 507 A 56 ASN HD21 A 82 GLN HE21 1.0 1.8 5.1 617 508 A 56 ASN HD22 A 82 GLN HE21 1.0 1.8 5.1 618 509 A 40 GLN HB2 A 56 ASN HD21 1.0 1.8 4.9 619 510 A 40 GLN HB2 A 56 ASN HD22 1.0 1.8 4.9 620 511 A 56 ASN H A 79 LEU HD2% 1.0 1.8 5.4 621 512 A 54 GLY H A 82 GLN HE21 1.0 1.8 5.3 622 513 A 39 PHE H A 37 HIS HA 1.0 1.8 4.6 623 514 A 93 TRP H A 91 SER H 1.0 1.8 5.4 624 515 A 58 ALA H A 55 ASP HA 1.0 1.8 4.2 625 516 A 60 LEU H A 61 ARG HBx 1.0 1.8 6.2 626 516 A 60 LEU H A 61 ARG HBy 1.0 1.8 6.2 627 517 A 60 LEU H A 56 ASN HA 1.0 1.8 4.6 628 518 A 60 LEU H A 58 ALA H 1.0 1.8 4.4 629 519 A 60 LEU HD1% A 61 ARG H 1.0 1.8 5.2 630 520 A 59 ALA H A 62 HIS H 1.0 1.8 5.2 631 521 A 63 ALA H A 61 ARG H 1.0 1.8 4.7 632 522 A 64 VAL H A 61 ARG HA 1.0 1.8 4.3 633 523 A 64 VAL HG2% A 65 GLU H 1.0 1.8 5.0 634 524 A 64 VAL HG1% A 65 GLU H 1.0 1.8 5.3 635 525 A 64 VAL H A 66 GLN H 1.0 1.8 4.8 636 526 A 67 GLN HA A 66 GLN H 1.0 1.8 4.8 637 527 A 66 GLN H A 64 VAL HA 1.0 1.8 4.9 638 528 A 67 GLN H A 69 LEU HD2% 1.0 1.8 6.2 639 529 A 67 GLN H A 69 LEU HD1% 1.0 1.8 6.2 640 530 A 64 VAL HG1% A 67 GLN H 1.0 1.8 6.5 641 531 A 67 GLN H A 68 GLN HBx 1.0 1.8 5.7 642 531 A 67 GLN H A 68 GLN HBy 1.0 1.8 5.7 643 532 A 67 GLN H A 66 GLN HGx 1.0 1.8 5.8 644 532 A 67 GLN H A 66 GLN HGy 1.0 1.8 5.8 645 533 A 67 GLN H A 65 GLU HA 1.0 1.8 4.4 646 534 A 67 GLN H A 64 VAL HA 1.0 1.8 4.2 647 535 A 68 GLN H A 66 GLN H 1.0 1.8 4.3 648 536 A 69 LEU H A 68 GLN H 1.0 1.8 4.2 649 537 A 69 LEU H A 69 LEU HD2% 1.0 1.8 5.0 650 538 A 69 LEU H A 69 LEU HB3 1.0 1.8 3.8 651 539 A 71 GLN HE21 A 68 GLN HGx 1.0 1.8 5.6 652 539 A 68 GLN HGy A 71 GLN HE21 1.0 1.8 5.6 653 540 A 71 GLN HE22 A 68 GLN HGx 1.0 1.8 6.3 654 540 A 68 GLN HGy A 71 GLN HE22 1.0 1.8 6.3 655 541 A 71 GLN HE21 A 68 GLN HBx 1.0 1.8 5.7 656 541 A 68 GLN HBy A 71 GLN HE21 1.0 1.8 5.7 657 542 A 72 VAL H A 74 TRP H 1.0 1.8 4.8 658 543 A 72 VAL H A 71 GLN HE21 1.0 1.8 5.3 659 544 A 73 ALA H A 71 GLN HA 1.0 1.8 4.5 660 545 A 72 VAL H A 72 VAL HG2% 1.0 1.8 4.8 661 546 A 60 LEU HD1% A 73 ALA H 1.0 1.8 6.4 662 547 A 73 ALA H A 74 TRP HB2 1.0 1.8 5.1 663 548 A 74 TRP H A 74 TRP HD1 1.0 1.8 4.5 664 549 A 72 VAL HB A 74 TRP H 1.0 1.8 5.5 665 550 A 74 TRP HA A 74 TRP HE1 1.0 1.8 4.6 666 551 A 75 LEU H A 74 TRP HB2 1.0 1.8 4.3 667 552 A 76 ALA H A 73 ALA HA 1.0 1.8 4.4 668 553 A 76 ALA H A 78 HIS H 1.0 1.8 4.4 669 554 A 78 HIS H A 75 LEU HA 1.0 1.8 4.1 670 555 A 77 GLU H A 79 LEU H 1.0 1.8 4.4 671 556 A 79 LEU H A 76 ALA HA 1.0 1.8 4.2 672 557 A 80 ALA H A 81 ALA H 1.0 1.8 3.4 673 558 A 42 ARG H A 44 THR HG2% 1.0 1.8 6.5 674 559 A 82 GLN H A 79 LEU HD2% 1.0 1.8 6.5 675 560 A 81 ALA H A 83 LEU H 1.0 1.8 4.9 676 561 A 83 LEU H A 82 GLN HB2 1.0 1.8 4.2 677 562 A 84 GLU H A 83 LEU H 1.0 1.8 3.7 678 563 A 86 ILE HD1% A 85 ALA H 1.0 1.8 6.4 679 564 A 85 ALA H A 82 GLN HA 1.0 1.8 4.5 680 565 A 86 ILE H A 83 LEU HA 1.0 1.8 4.2 681 566 A 86 ILE HD1% A 86 ILE H 1.0 1.8 4.6 682 567 A 86 ILE HB A 86 ILE H 1.0 1.8 3.5 683 568 A 87 ALA H A 84 GLU HBx 1.0 1.8 6.4 684 568 A 87 ALA H A 84 GLU HBy 1.0 1.8 6.4 685 569 A 88 ARG H A 86 ILE H 1.0 1.8 4.3 686 570 A 89 GLU H A 86 ILE HA 1.0 1.7 4.5 687 571 A 90 ALA H A 91 SER H 1.0 1.8 3.8 688 572 A 92 ALA H A 91 SER HBx 1.0 1.8 5.2 689 572 A 92 ALA H A 91 SER HBy 1.0 1.8 5.2 690 573 A 93 TRP H A 93 TRP HZ3 1.0 1.8 5.5 691 574 A 94 SER H A 93 TRP HB3 1.0 1.8 4.4 692 575 A 94 SER H A 93 TRP HB2 1.0 1.8 4.4 693 576 A 93 TRP HE1 A 89 GLU HBx 1.0 1.8 5.6 694 576 A 89 GLU HBy A 93 TRP HE1 1.0 1.8 5.6 695 577 A 92 ALA HB% A 93 TRP HE1 1.0 1.8 6.0 696 578 A 93 TRP HE1 A 46 LEU HD1% 1.0 1.8 5.5 697 579 A 93 TRP HE1 A 46 LEU HD2% 1.0 1.8 5.5 698 580 A 25 SER H A 47 GLN HB2 1.0 1.8 4.6 699 581 A 20 ARG HE A 20 ARG HGx 1.0 1.8 4.9 700 581 A 20 ARG HGy A 20 ARG HE 1.0 1.8 4.9 701 582 A 19 GLN H A 50 LEU HD2% 1.0 1.8 5.8 702 583 A 22 ALA H A 18 ARG HA 1.0 1.8 4.6 703 584 A 22 ALA HB% A 24 VAL H 1.0 1.8 5.8 704 585 A 25 SER H A 47 GLN HB3 1.0 1.8 4.6 705 586 A 30 LEU HG A 29 THR H 1.0 1.8 5.5 706 587 A 29 THR H A 45 THR HG2% 1.0 1.8 5.5 707 588 A 36 ARG H A 36 ARG HBx 1.0 1.8 4.9 708 588 A 36 ARG H A 36 ARG HBy 1.0 1.8 4.9 709 589 A 47 GLN H A 45 THR HA 1.0 1.8 5.0 710 590 A 48 ALA H A 45 THR HA 1.0 1.8 4.9 711 591 A 53 ALA H A 79 LEU HD2% 1.0 1.8 6.5 712 592 A 86 ILE HB A 85 ALA H 1.0 1.8 5.2 713 593 A 85 ALA H A 88 ARG HBx 1.0 1.8 6.5 714 593 A 88 ARG HBy A 85 ALA H 1.0 1.8 6.5 715 594 A 24 VAL H A 25 SER HA 1.0 1.8 5.2 716 595 A 25 SER H A 23 PRO HB2 1.0 1.8 5.5 717 596 A 48 ALA H A 45 THR H 1.0 1.8 4.9 718 597 A 85 ALA H A 39 PHE HZ 1.0 1.8 5.3 719 598 A 79 LEU HD1% A 79 LEU H 1.0 1.8 5.0 720 599 A 29 THR HA A 46 LEU H 1.0 1.8 4.2 721 600 A 60 LEU HD1% A 72 VAL HA 1.0 1.8 5.1 722 601 A 64 VAL HG2% A 64 VAL HA 1.0 1.8 5.0 723 602 A 52 GLU HA A 52 GLU HGx 1.0 1.8 4.9 724 602 A 52 GLU HA A 52 GLU HGy 1.0 1.8 4.9 725 603 A 84 GLU HA A 84 GLU HBx 1.0 1.8 4.0 726 603 A 84 GLU HA A 84 GLU HBy 1.0 1.8 4.0 727 604 A 86 ILE HG2% A 83 LEU HA 1.0 1.8 5.1 728 605 A 86 ILE HD1% A 50 LEU HA 1.0 1.8 5.5 729 606 A 40 GLN HA A 40 GLN HGx 1.0 1.9 4.9 730 606 A 40 GLN HGy A 40 GLN HA 1.0 1.9 4.9 731 607 A 78 HIS HB3 A 79 LEU HA 1.0 1.8 4.1 732 608 A 38 LEU HA A 39 PHE HA 1.0 1.8 4.6 733 609 A 33 ARG HA A 33 ARG HGx 1.0 1.8 4.7 734 609 A 33 ARG HGy A 33 ARG HA 1.0 1.8 4.7 735 610 A 79 LEU HD2% A 53 ALA HA 1.0 1.8 5.0 736 611 A 64 VAL HG2% A 63 ALA HA 1.0 1.8 5.8 737 612 A 60 LEU HD2% A 76 ALA HA 1.0 1.8 4.4 738 613 A 66 GLN HA A 67 GLN HGx 1.0 1.9 4.8 739 613 A 66 GLN HA A 67 GLN HGy 1.0 1.9 4.8 740 614 A 94 SER H A 92 ALA HA 1.0 1.7 4.2 741 615 A 61 ARG HBx A 61 ARG HDx 1.0 1.8 4.4 742 615 A 61 ARG HBy A 61 ARG HDx 1.0 1.8 4.4 743 615 A 61 ARG HDy A 61 ARG HBx 1.0 1.8 4.4 744 615 A 61 ARG HBy A 61 ARG HDy 1.0 1.8 4.4 745 616 A 4 ALA HB% A 5 LEU HBx 1.0 1.8 5.4 746 616 A 4 ALA HB% A 5 LEU HBy 1.0 1.8 5.4 747 617 A 6 LEU HBx A 6 LEU HDx% 1.0 1.8 4.5 748 617 A 6 LEU HBy A 6 LEU HDx% 1.0 1.8 4.5 749 617 A 6 LEU HDy% A 6 LEU HBx 1.0 1.8 4.5 750 617 A 6 LEU HBy A 6 LEU HDy% 1.0 1.8 4.5 751 618 A 84 GLU HA A 84 GLU HGx 1.0 1.8 4.9 752 618 A 84 GLU HA A 84 GLU HGy 1.0 1.8 4.9 753 619 A 11 GLU HA A 11 GLU HGx 1.0 1.8 4.9 754 619 A 11 GLU HGy A 11 GLU HA 1.0 1.8 4.9 755 620 A 66 GLN HA A 66 GLN HGx 1.0 1.8 5.0 756 620 A 66 GLN HA A 66 GLN HGy 1.0 1.8 5.0 757 621 A 67 GLN HA A 67 GLN HGx 1.0 1.8 5.0 758 621 A 67 GLN HA A 67 GLN HGy 1.0 1.8 5.0 759 622 A 33 ARG HBx A 33 ARG HDx 1.0 1.8 4.8 760 622 A 33 ARG HBy A 33 ARG HDx 1.0 1.8 4.8 761 622 A 33 ARG HDy A 33 ARG HBx 1.0 1.8 4.8 762 622 A 33 ARG HBy A 33 ARG HDy 1.0 1.8 4.8 763 623 A 85 ALA HA A 88 ARG HBx 1.0 1.8 4.9 764 623 A 88 ARG HBy A 85 ALA HA 1.0 1.8 4.9 765 624 A 85 ALA HB% A 84 GLU HBx 1.0 1.8 4.9 766 624 A 84 GLU HBy A 85 ALA HB% 1.0 1.8 4.9 767 625 A 69 LEU HG A 69 LEU HA 1.0 1.8 3.7 768 626 A 78 HIS HB3 A 79 LEU HG 1.0 1.8 4.0 769 627 A 42 ARG HA A 42 ARG HGx 1.0 1.8 4.6 770 627 A 42 ARG HGy A 42 ARG HA 1.0 1.8 4.6 771 628 A 19 GLN HBx A 20 ARG HGx 1.0 1.8 4.9 772 628 A 19 GLN HBy A 20 ARG HGx 1.0 1.8 4.9 773 628 A 20 ARG HGy A 19 GLN HBx 1.0 1.8 4.9 774 628 A 19 GLN HBy A 20 ARG HGy 1.0 1.8 4.9 775 629 A 79 LEU HA A 79 LEU HD2% 1.0 1.8 5.2 776 630 A 64 VAL HG1% A 64 VAL HA 1.0 1.8 4.8 777 631 A 79 LEU HD2% A 79 LEU HB3 1.0 1.8 5.2 778 632 A 6 LEU HA A 6 LEU HDx% 1.0 1.8 4.4 779 632 A 6 LEU HDy% A 6 LEU HA 1.0 1.8 4.4 780 633 A 72 VAL HA A 72 VAL HG1% 1.0 1.8 5.0 781 634 A 81 ALA HB% A 38 LEU HD2% 1.0 1.8 4.8 782 635 A 45 THR HG2% A 45 THR HA 1.0 1.8 4.6 783 636 A 29 THR HA A 29 THR HG2% 1.0 1.8 5.0 784 637 A 44 THR HG2% A 44 THR HA 1.0 1.8 4.5 785 638 A 41 THR HG2% A 41 THR HA 1.0 1.8 4.6 786 639 A 41 THR HG2% A 42 ARG HBx 1.0 1.8 5.1 787 639 A 42 ARG HBy A 41 THR HG2% 1.0 1.8 5.1 788 640 A 3 THR HG2% A 6 LEU HBx 1.0 1.8 5.1 789 640 A 6 LEU HBy A 3 THR HG2% 1.0 1.8 5.1 790 641 A 3 THR HG2% A 6 LEU HDx% 1.0 1.8 4.6 791 641 A 6 LEU HDy% A 3 THR HG2% 1.0 1.8 4.6 792 642 A 72 VAL HA A 72 VAL HG2% 1.0 1.8 5.0 793 643 A 59 ALA H A 58 ALA HB% 1.0 1.8 4.4 794 644 A 80 ALA H A 81 ALA HB% 1.0 1.8 5.7 795 645 A 52 GLU H A 53 ALA HB% 1.0 1.7 5.5 796 646 A 80 ALA HB% A 81 ALA H 1.0 1.8 4.9 797 647 A 59 ALA HB% A 56 ASN HA 1.0 1.8 5.0 798 648 A 63 ALA HB% A 68 GLN HGx 1.0 1.8 4.6 799 648 A 63 ALA HB% A 68 GLN HGy 1.0 1.8 4.6 800 649 A 81 ALA HB% A 84 GLU HBx 1.0 1.8 5.4 801 649 A 84 GLU HBy A 81 ALA HB% 1.0 1.8 5.4 802 650 A 86 ILE HB A 87 ALA HB% 1.0 1.8 5.5 803 651 A 85 ALA HB% A 88 ARG HBx 1.0 1.8 5.9 804 651 A 88 ARG HBy A 85 ALA HB% 1.0 1.8 5.9 805 652 A 87 ALA HB% A 88 ARG HBx 1.0 1.8 6.1 806 652 A 88 ARG HBy A 87 ALA HB% 1.0 1.8 6.1 807 653 A 80 ALA HB% A 10 LEU HG 1.0 1.8 5.7 808 654 A 22 ALA HB% A 23 PRO HB3 1.0 1.8 5.1 809 655 A 28 ALA HB% A 46 LEU HBx 1.0 1.8 4.5 810 655 A 28 ALA HB% A 46 LEU HBy 1.0 1.8 4.5 811 656 A 53 ALA HB% A 79 LEU HD2% 1.0 1.8 4.6 812 657 A 63 ALA HB% A 64 VAL HG1% 1.0 1.8 4.7 813 658 A 59 ALA HB% A 75 LEU HD1% 1.0 1.8 5.0 814 659 A 59 ALA HB% A 75 LEU HD2% 1.0 1.8 5.0 815 660 A 87 ALA HB% A 86 ILE HG2% 1.0 1.8 4.2 816 661 A 81 ALA HB% A 38 LEU HD1% 1.0 1.8 4.8 817 662 A 58 ALA HB% A 55 ASP HA 1.0 1.8 5.1 818 663 A 86 ILE HD1% A 86 ILE HB 1.0 1.8 5.1 819 664 A 76 ALA HB% A 77 GLU HA 1.0 1.8 4.9 820 665 A 28 ALA HB% A 24 VAL HB 1.0 1.8 5.7 821 666 A 16 THR HG2% A 16 THR HA 1.0 1.8 4.6 822 667 A 60 LEU HD1% A 79 LEU HD1% 1.0 1.8 5.5 823 668 A 68 GLN HA A 68 GLN HGx 1.0 1.8 5.2 824 668 A 68 GLN HA A 68 GLN HGy 1.0 1.8 5.2 825 669 A 71 GLN HA A 71 GLN HGx 1.0 1.8 5.1 826 669 A 71 GLN HGy A 71 GLN HA 1.0 1.8 5.1 827 670 A 79 LEU HD1% A 76 ALA HA 1.0 1.8 4.7 828 671 A 86 ILE HG2% A 87 ALA HA 1.0 1.8 4.9 829 672 A 79 LEU HD2% A 79 LEU HB2 1.0 1.8 5.2 830 673 A 85 ALA HB% A 82 GLN HA 1.0 1.8 5.3 831 674 A 9 LYS H A 9 LYS HGx 1.0 1.8 6.2 832 674 A 9 LYS H A 9 LYS HGy 1.0 1.8 6.2 833 675 A 10 LEU H A 10 LEU HG 1.0 1.8 4.3 834 676 A 17 LEU H A 19 GLN HBx 1.0 1.8 6.2 835 676 A 17 LEU H A 19 GLN HBy 1.0 1.8 6.2 836 677 A 61 ARG HA A 60 LEU HG 1.0 1.8 4.8 837 678 A 86 ILE HG2% A 86 ILE HA 1.0 1.8 5.2 838 679 A 36 ARG HA A 36 ARG HDx 1.0 1.8 5.5 839 679 A 36 ARG HDy A 36 ARG HA 1.0 1.8 5.5 840 680 A 53 ALA H A 54 GLY HA3 1.0 1.8 5.5 841 681 A 79 LEU HD2% A 56 ASN HB3 1.0 1.8 5.9 842 682 A 59 ALA HB% A 62 HIS HBx 1.0 1.8 5.8 843 682 A 59 ALA HB% A 62 HIS HBy 1.0 1.8 5.8 844 683 A 86 ILE HD1% A 50 LEU H 1.0 1.8 6.3 845 684 A 86 ILE HD1% A 39 PHE HZ 1.0 1.8 5.9 846 685 A 86 ILE HD1% A 39 PHE HE% 1.0 1.8 5.9 847 686 A 53 ALA HB% A 86 ILE HD1% 1.0 1.8 5.3 848 687 A 86 ILE HD1% A 83 LEU HA 1.0 1.8 5.6 849 688 A 86 ILE HD1% A 86 ILE HA 1.0 1.8 5.3 850 689 A 34 PHE HD% A 30 LEU HD1% 1.0 1.8 6.5 851 690 A 34 PHE HD% A 30 LEU HD2% 1.0 1.8 6.5 852 691 A 84 GLU HA A 86 ILE HB 1.0 1.8 5.5 853 692 A 86 ILE HB A 83 LEU HA 1.0 1.8 4.3 854 693 A 79 LEU HD2% A 56 ASN HB2 1.0 1.8 5.9 855 694 A 78 HIS HB2 A 78 HIS HD2 1.0 1.9 3.9 856 695 A 34 PHE HA A 34 PHE HD% 1.0 1.8 5.1 857 696 A 63 ALA HA A 62 HIS HD2 1.0 1.8 4.0 858 697 A 75 LEU HG A 74 TRP HE3 1.0 1.8 4.5 859 698 A 74 TRP HD1 A 74 TRP HA 1.0 1.8 3.9 860 699 A 74 TRP HB2 A 74 TRP HD1 1.0 1.8 3.8 861 700 A 73 ALA HB% A 74 TRP HD1 1.0 1.8 5.1 862 701 A 93 TRP HE3 A 93 TRP HB2 1.0 1.8 4.2 863 702 A 93 TRP HE3 A 93 TRP HB3 1.0 1.8 4.2 864 703 A 93 TRP HE3 A 93 TRP HA 1.0 1.8 4.0 865 704 A 93 TRP HA A 93 TRP HD1 1.0 1.8 4.9 866 705 A 93 TRP HD1 A 98 TRP HE3 1.0 1.9 3.9 867 706 A 7 LEU H A 7 LEU HB2 1.0 1.8 4.2 868 706 A 7 LEU H A 7 LEU HB3 1.0 1.8 4.2 869 707 A 8 GLU HA A 7 LEU HB2 1.0 1.8 5.2 870 707 A 7 LEU HB3 A 8 GLU HA 1.0 1.8 5.2 871 708 A 8 GLU H A 8 GLU HG3 1.0 1.8 4.6 872 708 A 8 GLU H A 8 GLU HG2 1.0 1.8 4.6 873 709 A 10 LEU H A 10 LEU HB2 1.0 1.8 4.2 874 709 A 10 LEU H A 10 LEU HB3 1.0 1.8 4.2 875 710 A 10 LEU H A 10 LEU HD2% 1.0 1.8 5.4 876 710 A 10 LEU H A 10 LEU HD1% 1.0 1.8 5.4 877 711 A 11 GLU H A 10 LEU HB2 1.0 1.8 4.7 878 711 A 11 GLU H A 10 LEU HB3 1.0 1.8 4.7 879 712 A 80 ALA HB% A 10 LEU HB2 1.0 1.8 5.6 880 712 A 80 ALA HB% A 10 LEU HB3 1.0 1.8 5.6 881 713 A 11 GLU H A 10 LEU HD2% 1.0 1.8 4.8 882 713 A 11 GLU H A 10 LEU HD1% 1.0 1.8 4.8 883 714 A 10 LEU HD2% A 11 GLU HGx 1.0 1.8 5.2 884 714 A 10 LEU HD1% A 11 GLU HGx 1.0 1.8 5.2 885 714 A 11 GLU HGy A 10 LEU HD2% 1.0 1.8 5.2 886 714 A 11 GLU HGy A 10 LEU HD1% 1.0 1.8 5.2 887 715 A 12 GLY H A 10 LEU HD2% 1.0 1.8 6.4 888 715 A 12 GLY H A 10 LEU HD1% 1.0 1.8 6.4 889 716 A 80 ALA H A 10 LEU HD2% 1.0 1.8 4.6 890 716 A 80 ALA H A 10 LEU HD1% 1.0 1.8 4.6 891 717 A 13 GLN H A 13 GLN HG2 1.0 1.8 4.9 892 717 A 13 GLN H A 13 GLN HG3 1.0 1.8 4.9 893 718 A 13 GLN HBy A 83 LEU HD2% 1.0 1.8 4.8 894 718 A 13 GLN HBx A 83 LEU HD2% 1.0 1.8 4.8 895 718 A 83 LEU HD1% A 13 GLN HBx 1.0 1.8 4.8 896 718 A 13 GLN HBy A 83 LEU HD1% 1.0 1.8 4.8 897 719 A 13 GLN HE22 A 17 LEU HD2% 1.0 1.8 5.8 898 719 A 13 GLN HE21 A 17 LEU HD2% 1.0 1.8 5.8 899 719 A 17 LEU HD1% A 13 GLN HE22 1.0 1.8 5.8 900 719 A 13 GLN HE21 A 17 LEU HD1% 1.0 1.8 5.8 901 720 A 13 GLN HE21 A 83 LEU HD2% 1.0 1.8 5.2 902 720 A 83 LEU HD1% A 13 GLN HE22 1.0 1.8 5.2 903 720 A 83 LEU HD1% A 13 GLN HE21 1.0 1.8 5.2 904 720 A 13 GLN HE22 A 83 LEU HD2% 1.0 1.8 5.2 905 721 A 87 ALA HB% A 13 GLN HE22 1.0 1.8 5.2 906 721 A 87 ALA HB% A 13 GLN HE21 1.0 1.8 5.2 907 722 A 14 LEU H A 14 LEU HB2 1.0 1.8 4.2 908 722 A 14 LEU H A 14 LEU HB3 1.0 1.8 4.2 909 723 A 15 ALA H A 14 LEU HB2 1.0 1.8 4.8 910 723 A 15 ALA H A 14 LEU HB3 1.0 1.8 4.8 911 724 A 16 THR H A 14 LEU HB2 1.0 1.8 6.3 912 724 A 16 THR H A 14 LEU HB3 1.0 1.8 6.3 913 725 A 15 ALA H A 14 LEU HD2% 1.0 1.8 5.6 914 725 A 15 ALA H A 14 LEU HD1% 1.0 1.8 5.6 915 726 A 16 THR H A 14 LEU HD2% 1.0 1.8 6.4 916 726 A 16 THR H A 14 LEU HD1% 1.0 1.8 6.4 917 727 A 53 ALA H A 14 LEU HD2% 1.0 1.8 5.7 918 727 A 53 ALA H A 14 LEU HD1% 1.0 1.8 5.7 919 728 A 54 GLY H A 14 LEU HD2% 1.0 1.8 4.7 920 728 A 54 GLY H A 14 LEU HD1% 1.0 1.8 4.7 921 729 A 14 LEU HD2% A 54 GLY HA2 1.0 1.8 5.3 922 729 A 14 LEU HD1% A 54 GLY HA2 1.0 1.8 5.3 923 729 A 54 GLY HA3 A 14 LEU HD2% 1.0 1.8 5.3 924 729 A 14 LEU HD1% A 54 GLY HA3 1.0 1.8 5.3 925 730 A 55 ASP H A 14 LEU HD2% 1.0 1.8 6.4 926 730 A 55 ASP H A 14 LEU HD1% 1.0 1.8 6.4 927 731 A 56 ASN H A 14 LEU HD2% 1.0 1.8 6.4 928 731 A 56 ASN H A 14 LEU HD1% 1.0 1.8 6.4 929 732 A 16 THR H A 17 LEU HB2 1.0 1.8 5.7 930 732 A 16 THR H A 17 LEU HB3 1.0 1.8 5.7 931 733 A 16 THR H A 83 LEU HD2% 1.0 1.8 6.4 932 733 A 16 THR H A 83 LEU HD1% 1.0 1.8 6.4 933 734 A 17 LEU H A 17 LEU HB2 1.0 1.8 4.3 934 734 A 17 LEU H A 17 LEU HB3 1.0 1.8 4.3 935 735 A 17 LEU HA A 17 LEU HD2% 1.0 1.8 4.8 936 735 A 17 LEU HD1% A 17 LEU HA 1.0 1.8 4.8 937 736 A 18 ARG H A 17 LEU HB2 1.0 1.8 5.0 938 736 A 18 ARG H A 17 LEU HB3 1.0 1.8 5.0 939 737 A 90 ALA HB% A 17 LEU HD2% 1.0 1.8 4.8 940 737 A 90 ALA HB% A 17 LEU HD1% 1.0 1.8 4.8 941 738 A 18 ARG HA A 50 LEU HB2 1.0 1.8 6.2 942 738 A 18 ARG HA A 50 LEU HB3 1.0 1.8 6.2 943 739 A 18 ARG HDy A 50 LEU HD2% 1.0 1.8 6.1 944 739 A 18 ARG HDx A 50 LEU HD2% 1.0 1.8 6.1 945 739 A 50 LEU HD1% A 18 ARG HDx 1.0 1.8 6.1 946 739 A 18 ARG HDy A 50 LEU HD1% 1.0 1.8 6.1 947 740 A 18 ARG HE A 50 LEU HB2 1.0 1.8 5.4 948 740 A 18 ARG HE A 50 LEU HB3 1.0 1.8 5.4 949 741 A 18 ARG HE A 50 LEU HD2% 1.0 1.8 4.9 950 741 A 18 ARG HE A 50 LEU HD1% 1.0 1.8 4.9 951 742 A 19 GLN H A 50 LEU HD2% 1.0 1.8 5.1 952 742 A 19 GLN H A 50 LEU HD1% 1.0 1.8 5.1 953 743 A 21 CYS H A 21 CYS HB2 1.0 1.8 4.4 954 743 A 21 CYS H A 21 CYS HB3 1.0 1.8 4.4 955 744 A 21 CYS H A 50 LEU HD2% 1.0 1.8 5.0 956 744 A 21 CYS H A 50 LEU HD1% 1.0 1.8 5.0 957 745 A 21 CYS HA A 24 VAL HG2% 1.0 1.8 5.8 958 745 A 21 CYS HA A 24 VAL HG1% 1.0 1.8 5.8 959 746 A 21 CYS HA A 50 LEU HD2% 1.0 1.8 5.3 960 746 A 21 CYS HA A 50 LEU HD1% 1.0 1.8 5.3 961 747 A 22 ALA H A 21 CYS HB2 1.0 1.8 5.3 962 747 A 22 ALA H A 21 CYS HB3 1.0 1.8 5.3 963 748 A 22 ALA HA A 21 CYS HB2 1.0 1.8 5.7 964 748 A 22 ALA HA A 21 CYS HB3 1.0 1.8 5.7 965 749 A 22 ALA H A 23 PRO HD2 1.0 1.8 4.5 966 749 A 22 ALA H A 23 PRO HD3 1.0 1.8 4.5 967 750 A 22 ALA H A 24 VAL HG2% 1.0 1.8 6.1 968 750 A 22 ALA H A 24 VAL HG1% 1.0 1.8 6.1 969 751 A 24 VAL H A 23 PRO HD2 1.0 1.8 5.3 970 751 A 24 VAL H A 23 PRO HD3 1.0 1.8 5.3 971 752 A 23 PRO HD3 A 24 VAL HG2% 1.0 1.8 6.3 972 752 A 23 PRO HD2 A 24 VAL HG2% 1.0 1.8 6.3 973 752 A 24 VAL HG1% A 23 PRO HD2 1.0 1.8 6.3 974 752 A 24 VAL HG1% A 23 PRO HD3 1.0 1.8 6.3 975 753 A 24 VAL H A 24 VAL HG2% 1.0 1.8 4.3 976 753 A 24 VAL H A 24 VAL HG1% 1.0 1.8 4.3 977 754 A 24 VAL H A 50 LEU HD2% 1.0 1.8 6.4 978 754 A 24 VAL H A 50 LEU HD1% 1.0 1.8 6.4 979 755 A 25 SER H A 24 VAL HG2% 1.0 1.8 4.6 980 755 A 25 SER H A 24 VAL HG1% 1.0 1.8 4.6 981 756 A 27 PHE H A 24 VAL HG2% 1.0 1.8 6.2 982 756 A 27 PHE H A 24 VAL HG1% 1.0 1.8 6.2 983 757 A 28 ALA HB% A 24 VAL HG2% 1.0 1.8 5.1 984 757 A 28 ALA HB% A 24 VAL HG1% 1.0 1.8 5.1 985 758 A 46 LEU HA A 24 VAL HG2% 1.0 1.8 6.3 986 758 A 46 LEU HA A 24 VAL HG1% 1.0 1.8 6.3 987 759 A 24 VAL HG1% A 46 LEU HBx 1.0 1.8 5.2 988 759 A 24 VAL HG2% A 46 LEU HBx 1.0 1.8 5.2 989 759 A 46 LEU HBy A 24 VAL HG2% 1.0 1.8 5.2 990 759 A 46 LEU HBy A 24 VAL HG1% 1.0 1.8 5.2 991 760 A 24 VAL HG1% A 46 LEU HD2% 1.0 1.8 5.5 992 760 A 24 VAL HG2% A 46 LEU HD2% 1.0 1.8 5.5 993 760 A 46 LEU HD1% A 24 VAL HG2% 1.0 1.8 5.5 994 760 A 24 VAL HG1% A 46 LEU HD1% 1.0 1.8 5.5 995 761 A 24 VAL HG1% A 50 LEU HD2% 1.0 1.8 4.9 996 761 A 24 VAL HG2% A 50 LEU HD2% 1.0 1.8 4.9 997 761 A 50 LEU HD1% A 24 VAL HG2% 1.0 1.8 4.9 998 761 A 50 LEU HD1% A 24 VAL HG1% 1.0 1.8 4.9 999 762 A 25 SER H A 47 GLN HB3 1.0 1.8 4.7 1000 762 A 25 SER H A 47 GLN HB2 1.0 1.8 4.7 1001 763 A 26 GLN H A 26 GLN HB3 1.0 1.8 4.2 1002 763 A 26 GLN H A 26 GLN HB2 1.0 1.8 4.2 1003 764 A 26 GLN HB2 A 26 GLN HE22 1.0 1.8 5.5 1004 764 A 26 GLN HB3 A 26 GLN HE22 1.0 1.8 5.5 1005 764 A 26 GLN HE21 A 26 GLN HB3 1.0 1.8 5.5 1006 764 A 26 GLN HB2 A 26 GLN HE21 1.0 1.8 5.5 1007 765 A 27 PHE H A 27 PHE HB3 1.0 1.8 4.5 1008 765 A 27 PHE H A 27 PHE HB2 1.0 1.8 4.5 1009 766 A 27 PHE H A 46 LEU HD2% 1.0 1.8 5.3 1010 766 A 27 PHE H A 46 LEU HD1% 1.0 1.8 5.3 1011 767 A 28 ALA H A 46 LEU HD2% 1.0 1.8 5.7 1012 767 A 28 ALA H A 46 LEU HD1% 1.0 1.8 5.7 1013 768 A 28 ALA HB% A 46 LEU HD2% 1.0 1.8 4.2 1014 768 A 28 ALA HB% A 46 LEU HD1% 1.0 1.8 4.2 1015 769 A 30 LEU H A 30 LEU HB2 1.0 1.8 4.6 1016 769 A 30 LEU H A 30 LEU HB3 1.0 1.8 4.6 1017 770 A 30 LEU HA A 30 LEU HD2% 1.0 1.8 5.1 1018 770 A 30 LEU HA A 30 LEU HD1% 1.0 1.8 5.1 1019 771 A 31 SER H A 30 LEU HB2 1.0 1.8 5.4 1020 771 A 31 SER H A 30 LEU HB3 1.0 1.8 5.4 1021 772 A 31 SER H A 30 LEU HD2% 1.0 1.8 5.1 1022 772 A 31 SER H A 30 LEU HD1% 1.0 1.8 5.1 1023 773 A 34 PHE HD% A 30 LEU HD2% 1.0 1.8 5.8 1024 773 A 34 PHE HD% A 30 LEU HD1% 1.0 1.8 5.8 1025 774 A 34 PHE HE% A 30 LEU HD2% 1.0 1.8 6.4 1026 774 A 34 PHE HE% A 30 LEU HD1% 1.0 1.8 6.4 1027 775 A 44 THR HA A 30 LEU HD2% 1.0 1.8 5.5 1028 775 A 44 THR HA A 30 LEU HD1% 1.0 1.8 5.5 1029 776 A 45 THR H A 30 LEU HD2% 1.0 1.8 5.1 1030 776 A 45 THR H A 30 LEU HD1% 1.0 1.8 5.1 1031 777 A 46 LEU H A 30 LEU HD2% 1.0 1.8 5.7 1032 777 A 46 LEU H A 30 LEU HD1% 1.0 1.8 5.7 1033 778 A 46 LEU HA A 30 LEU HD2% 1.0 1.8 5.4 1034 778 A 46 LEU HA A 30 LEU HD1% 1.0 1.8 5.4 1035 779 A 30 LEU HD2% A 46 LEU HD2% 1.0 1.8 5.3 1036 779 A 30 LEU HD1% A 46 LEU HD2% 1.0 1.8 5.3 1037 779 A 46 LEU HD1% A 30 LEU HD2% 1.0 1.8 5.3 1038 779 A 46 LEU HD1% A 30 LEU HD1% 1.0 1.8 5.3 1039 780 A 30 LEU HD2% A 89 GLU HBx 1.0 1.8 5.8 1040 780 A 89 GLU HBy A 30 LEU HD2% 1.0 1.8 5.8 1041 780 A 89 GLU HBy A 30 LEU HD1% 1.0 1.8 5.8 1042 780 A 30 LEU HD1% A 89 GLU HBx 1.0 1.8 5.8 1043 781 A 34 PHE HB2 A 35 ASP HB3 1.0 1.8 6.3 1044 781 A 34 PHE HB2 A 35 ASP HB2 1.0 1.8 6.3 1045 782 A 35 ASP H A 35 ASP HB3 1.0 1.8 4.4 1046 782 A 35 ASP H A 35 ASP HB2 1.0 1.8 4.4 1047 783 A 35 ASP H A 38 LEU HB2 1.0 1.8 6.0 1048 783 A 35 ASP H A 38 LEU HB3 1.0 1.8 6.0 1049 784 A 35 ASP H A 38 LEU HD2% 1.0 1.8 6.1 1050 784 A 35 ASP H A 38 LEU HD1% 1.0 1.8 6.1 1051 785 A 38 LEU H A 35 ASP HB3 1.0 1.8 5.7 1052 785 A 38 LEU H A 35 ASP HB2 1.0 1.8 5.7 1053 786 A 35 ASP HB2 A 38 LEU HD2% 1.0 1.8 5.2 1054 786 A 35 ASP HB3 A 38 LEU HD2% 1.0 1.8 5.2 1055 786 A 38 LEU HD1% A 35 ASP HB3 1.0 1.8 5.2 1056 786 A 35 ASP HB2 A 38 LEU HD1% 1.0 1.8 5.2 1057 787 A 85 ALA HB% A 35 ASP HB3 1.0 1.8 6.3 1058 787 A 85 ALA HB% A 35 ASP HB2 1.0 1.8 6.3 1059 788 A 38 LEU H A 37 HIS HB3 1.0 1.8 5.2 1060 788 A 38 LEU H A 37 HIS HB2 1.0 1.8 5.2 1061 789 A 38 LEU H A 38 LEU HB2 1.0 1.8 4.5 1062 789 A 38 LEU H A 38 LEU HB3 1.0 1.8 4.5 1063 790 A 38 LEU HA A 38 LEU HD2% 1.0 1.8 5.2 1064 790 A 38 LEU HA A 38 LEU HD1% 1.0 1.8 5.2 1065 791 A 39 PHE H A 38 LEU HB2 1.0 1.8 5.4 1066 791 A 39 PHE H A 38 LEU HB3 1.0 1.8 5.4 1067 792 A 78 HIS HD2 A 38 LEU HB2 1.0 1.8 5.3 1068 792 A 78 HIS HD2 A 38 LEU HB3 1.0 1.8 5.3 1069 793 A 81 ALA H A 38 LEU HB2 1.0 1.8 6.0 1070 793 A 81 ALA H A 38 LEU HB3 1.0 1.8 6.0 1071 794 A 82 GLN H A 38 LEU HB2 1.0 1.8 5.6 1072 794 A 82 GLN H A 38 LEU HB3 1.0 1.8 5.6 1073 795 A 39 PHE H A 38 LEU HD2% 1.0 1.8 5.5 1074 795 A 39 PHE H A 38 LEU HD1% 1.0 1.8 5.5 1075 796 A 78 HIS HD2 A 38 LEU HD2% 1.0 1.8 5.3 1076 796 A 78 HIS HD2 A 38 LEU HD1% 1.0 1.8 5.3 1077 797 A 81 ALA H A 38 LEU HD2% 1.0 1.8 5.9 1078 797 A 81 ALA H A 38 LEU HD1% 1.0 1.8 5.9 1079 798 A 81 ALA HB% A 38 LEU HD2% 1.0 1.8 4.3 1080 798 A 81 ALA HB% A 38 LEU HD1% 1.0 1.8 4.3 1081 799 A 38 LEU HD2% A 82 GLN HG2 1.0 1.8 5.9 1082 799 A 38 LEU HD1% A 82 GLN HG2 1.0 1.8 5.9 1083 799 A 82 GLN HG3 A 38 LEU HD2% 1.0 1.8 5.9 1084 799 A 38 LEU HD1% A 82 GLN HG3 1.0 1.8 5.9 1085 800 A 85 ALA H A 38 LEU HD2% 1.0 1.8 5.4 1086 800 A 85 ALA H A 38 LEU HD1% 1.0 1.8 5.4 1087 801 A 85 ALA HB% A 38 LEU HD2% 1.0 1.8 4.7 1088 801 A 85 ALA HB% A 38 LEU HD1% 1.0 1.8 4.7 1089 802 A 39 PHE H A 39 PHE HB3 1.0 1.8 4.4 1090 802 A 39 PHE H A 39 PHE HB2 1.0 1.8 4.4 1091 803 A 39 PHE HA A 82 GLN HE21 1.0 1.8 5.8 1092 803 A 39 PHE HA A 82 GLN HE22 1.0 1.8 5.8 1093 804 A 40 GLN H A 39 PHE HB3 1.0 1.8 5.2 1094 804 A 40 GLN H A 39 PHE HB2 1.0 1.8 5.2 1095 805 A 82 GLN HE21 A 39 PHE HD% 1.0 1.8 6.1 1096 805 A 82 GLN HE22 A 39 PHE HD% 1.0 1.8 6.1 1097 806 A 40 GLN HB2 A 56 ASN HD21 1.0 1.8 5.2 1098 806 A 40 GLN HB2 A 56 ASN HD22 1.0 1.8 5.2 1099 807 A 56 ASN HD21 A 40 GLN HE22 1.0 1.8 4.8 1100 807 A 56 ASN HD22 A 40 GLN HE21 1.0 1.8 4.8 1101 807 A 56 ASN HD21 A 40 GLN HE21 1.0 1.8 4.8 1102 807 A 56 ASN HD22 A 40 GLN HE22 1.0 1.8 4.8 1103 808 A 46 LEU HA A 46 LEU HD2% 1.0 1.8 4.9 1104 808 A 46 LEU HA A 46 LEU HD1% 1.0 1.8 4.9 1105 809 A 47 GLN H A 46 LEU HD2% 1.0 1.8 5.4 1106 809 A 47 GLN H A 46 LEU HD1% 1.0 1.8 5.4 1107 810 A 49 CYS H A 46 LEU HD2% 1.0 1.8 6.4 1108 810 A 49 CYS H A 46 LEU HD1% 1.0 1.8 6.4 1109 811 A 46 LEU HD1% A 89 GLU HBx 1.0 1.8 5.2 1110 811 A 46 LEU HD2% A 89 GLU HBx 1.0 1.8 5.2 1111 811 A 89 GLU HBy A 46 LEU HD2% 1.0 1.8 5.2 1112 811 A 89 GLU HBy A 46 LEU HD1% 1.0 1.8 5.2 1113 812 A 90 ALA H A 46 LEU HD2% 1.0 1.8 5.5 1114 812 A 90 ALA H A 46 LEU HD1% 1.0 1.8 5.5 1115 813 A 93 TRP HE1 A 46 LEU HD2% 1.0 1.8 5.0 1116 813 A 93 TRP HE1 A 46 LEU HD1% 1.0 1.8 5.0 1117 814 A 47 GLN HB2 A 47 GLN HE22 1.0 1.8 4.7 1118 814 A 47 GLN HB3 A 47 GLN HE22 1.0 1.8 4.7 1119 814 A 47 GLN HE21 A 47 GLN HB3 1.0 1.8 4.7 1120 814 A 47 GLN HB2 A 47 GLN HE21 1.0 1.8 4.7 1121 815 A 48 ALA H A 47 GLN HB3 1.0 1.8 4.7 1122 815 A 48 ALA H A 47 GLN HB2 1.0 1.8 4.7 1123 816 A 47 GLN HE21 A 47 GLN HG2 1.0 1.8 4.2 1124 816 A 47 GLN HE22 A 47 GLN HG2 1.0 1.8 4.2 1125 816 A 47 GLN HG3 A 47 GLN HE22 1.0 1.8 4.2 1126 816 A 47 GLN HE21 A 47 GLN HG3 1.0 1.8 4.2 1127 817 A 48 ALA H A 49 CYS HB2 1.0 1.8 6.3 1128 817 A 48 ALA H A 49 CYS HB3 1.0 1.8 6.3 1129 818 A 49 CYS H A 49 CYS HB2 1.0 1.8 4.5 1130 818 A 49 CYS H A 49 CYS HB3 1.0 1.8 4.5 1131 819 A 50 LEU H A 49 CYS HB2 1.0 1.8 5.0 1132 819 A 50 LEU H A 49 CYS HB3 1.0 1.8 5.0 1133 820 A 86 ILE HD1% A 49 CYS HB2 1.0 1.8 6.0 1134 820 A 86 ILE HD1% A 49 CYS HB3 1.0 1.8 6.0 1135 821 A 50 LEU H A 50 LEU HB2 1.0 1.8 4.4 1136 821 A 50 LEU H A 50 LEU HB3 1.0 1.8 4.4 1137 822 A 50 LEU H A 50 LEU HD2% 1.0 1.8 5.0 1138 822 A 50 LEU H A 50 LEU HD1% 1.0 1.8 5.0 1139 823 A 50 LEU HA A 50 LEU HD2% 1.0 1.8 4.9 1140 823 A 50 LEU HA A 50 LEU HD1% 1.0 1.8 4.9 1141 824 A 53 ALA H A 50 LEU HB2 1.0 1.8 6.3 1142 824 A 53 ALA H A 50 LEU HB3 1.0 1.8 6.3 1143 825 A 51 ASP H A 50 LEU HD2% 1.0 1.8 5.1 1144 825 A 51 ASP H A 50 LEU HD1% 1.0 1.8 5.1 1145 826 A 52 GLU H A 52 GLU HB3 1.0 1.8 4.4 1146 826 A 52 GLU H A 52 GLU HB2 1.0 1.8 4.4 1147 827 A 52 GLU HA A 55 ASP HB3 1.0 1.8 5.4 1148 827 A 52 GLU HA A 55 ASP HB2 1.0 1.8 5.4 1149 828 A 55 ASP H A 52 GLU HB3 1.0 1.8 6.3 1150 828 A 55 ASP H A 52 GLU HB2 1.0 1.8 6.3 1151 829 A 53 ALA HA A 56 ASN HB3 1.0 1.8 5.3 1152 829 A 53 ALA HA A 56 ASN HB2 1.0 1.8 5.3 1153 830 A 53 ALA HA A 56 ASN HD21 1.0 1.8 5.7 1154 830 A 53 ALA HA A 56 ASN HD22 1.0 1.8 5.7 1155 831 A 54 GLY H A 55 ASP HB3 1.0 1.8 5.6 1156 831 A 54 GLY H A 55 ASP HB2 1.0 1.8 5.6 1157 832 A 54 GLY H A 57 LEU HB2 1.0 1.8 6.2 1158 832 A 54 GLY H A 57 LEU HB3 1.0 1.8 6.2 1159 833 A 57 LEU H A 54 GLY HA2 1.0 1.8 5.6 1160 833 A 57 LEU H A 54 GLY HA3 1.0 1.8 5.6 1161 834 A 55 ASP H A 57 LEU HB2 1.0 1.8 6.3 1162 834 A 55 ASP H A 57 LEU HB3 1.0 1.8 6.3 1163 835 A 56 ASN H A 55 ASP HB3 1.0 1.8 5.1 1164 835 A 56 ASN H A 55 ASP HB2 1.0 1.8 5.1 1165 836 A 56 ASN H A 56 ASN HD21 1.0 1.8 5.8 1166 836 A 56 ASN H A 56 ASN HD22 1.0 1.8 5.8 1167 837 A 57 LEU H A 56 ASN HB3 1.0 1.8 5.1 1168 837 A 57 LEU H A 56 ASN HB2 1.0 1.8 5.1 1169 838 A 56 ASN HB3 A 57 LEU HD1% 1.0 1.8 6.2 1170 838 A 56 ASN HB2 A 57 LEU HD1% 1.0 1.8 6.2 1171 838 A 57 LEU HD2% A 56 ASN HB3 1.0 1.8 6.2 1172 838 A 56 ASN HB2 A 57 LEU HD2% 1.0 1.8 6.2 1173 839 A 79 LEU HD2% A 56 ASN HB3 1.0 1.8 5.1 1174 839 A 79 LEU HD2% A 56 ASN HB2 1.0 1.8 5.1 1175 840 A 56 ASN HD21 A 78 HIS HD2 1.0 1.8 5.2 1176 840 A 56 ASN HD22 A 78 HIS HD2 1.0 1.8 5.2 1177 841 A 79 LEU HD2% A 56 ASN HD21 1.0 1.8 5.6 1178 841 A 79 LEU HD2% A 56 ASN HD22 1.0 1.8 5.6 1179 842 A 56 ASN HD21 A 82 GLN HE21 1.0 1.8 4.6 1180 842 A 56 ASN HD22 A 82 GLN HE21 1.0 1.8 4.6 1181 842 A 82 GLN HE22 A 56 ASN HD22 1.0 1.8 4.6 1182 842 A 82 GLN HE22 A 56 ASN HD21 1.0 1.8 4.6 1183 843 A 57 LEU H A 57 LEU HB2 1.0 1.8 4.3 1184 843 A 57 LEU H A 57 LEU HB3 1.0 1.8 4.3 1185 844 A 57 LEU H A 57 LEU HD1% 1.0 1.8 4.6 1186 844 A 57 LEU H A 57 LEU HD2% 1.0 1.8 4.6 1187 845 A 57 LEU HA A 57 LEU HD1% 1.0 1.8 4.5 1188 845 A 57 LEU HD2% A 57 LEU HA 1.0 1.8 4.5 1189 846 A 58 ALA H A 57 LEU HB2 1.0 1.8 4.8 1190 846 A 58 ALA H A 57 LEU HB3 1.0 1.8 4.8 1191 847 A 58 ALA H A 57 LEU HD1% 1.0 1.8 4.9 1192 847 A 58 ALA H A 57 LEU HD2% 1.0 1.8 4.9 1193 848 A 60 LEU H A 75 LEU HD2% 1.0 1.8 6.3 1194 848 A 60 LEU H A 75 LEU HD1% 1.0 1.8 6.3 1195 849 A 60 LEU HA A 75 LEU HD2% 1.0 1.8 4.0 1196 849 A 75 LEU HD1% A 60 LEU HA 1.0 1.8 4.0 1197 850 A 61 ARG H A 60 LEU HB2 1.0 1.8 4.8 1198 850 A 61 ARG H A 60 LEU HB3 1.0 1.8 4.8 1199 851 A 79 LEU HD1% A 60 LEU HB2 1.0 1.8 5.6 1200 851 A 79 LEU HD1% A 60 LEU HB3 1.0 1.8 5.6 1201 852 A 64 VAL HG2% A 67 GLN HE22 1.0 1.8 5.7 1202 852 A 64 VAL HG2% A 67 GLN HE21 1.0 1.8 5.7 1203 853 A 66 GLN H A 66 GLN HB3 1.0 1.8 4.0 1204 853 A 66 GLN H A 66 GLN HB2 1.0 1.8 4.0 1205 854 A 66 GLN H A 67 GLN HE22 1.0 1.8 5.8 1206 854 A 66 GLN H A 67 GLN HE21 1.0 1.8 5.8 1207 855 A 66 GLN H A 69 LEU HD2% 1.0 1.8 6.4 1208 855 A 66 GLN H A 69 LEU HD1% 1.0 1.8 6.4 1209 856 A 66 GLN HB3 A 66 GLN HE22 1.0 1.8 5.4 1210 856 A 66 GLN HB2 A 66 GLN HE22 1.0 1.8 5.4 1211 856 A 66 GLN HE21 A 66 GLN HB3 1.0 1.8 5.4 1212 856 A 66 GLN HB2 A 66 GLN HE21 1.0 1.8 5.4 1213 857 A 67 GLN H A 66 GLN HB3 1.0 1.8 5.3 1214 857 A 67 GLN H A 66 GLN HB2 1.0 1.8 5.3 1215 858 A 68 GLN H A 66 GLN HB3 1.0 1.8 5.2 1216 858 A 68 GLN H A 66 GLN HB2 1.0 1.8 5.2 1217 859 A 66 GLN HB3 A 68 GLN HGx 1.0 1.8 4.5 1218 859 A 66 GLN HB2 A 68 GLN HGx 1.0 1.8 4.5 1219 859 A 68 GLN HGy A 66 GLN HB3 1.0 1.8 4.5 1220 859 A 68 GLN HGy A 66 GLN HB2 1.0 1.8 4.5 1221 860 A 68 GLN HE22 A 66 GLN HB3 1.0 1.8 5.7 1222 860 A 68 GLN HE21 A 66 GLN HB2 1.0 1.8 5.7 1223 860 A 68 GLN HE21 A 66 GLN HB3 1.0 1.8 5.7 1224 860 A 68 GLN HE22 A 66 GLN HB2 1.0 1.8 5.7 1225 861 A 67 GLN H A 69 LEU HD2% 1.0 1.8 5.1 1226 861 A 67 GLN H A 69 LEU HD1% 1.0 1.8 5.1 1227 862 A 68 GLN H A 69 LEU HD2% 1.0 1.8 4.5 1228 862 A 68 GLN H A 69 LEU HD1% 1.0 1.8 4.5 1229 863 A 68 GLN HBy A 68 GLN HE21 1.0 1.8 5.5 1230 863 A 68 GLN HE22 A 68 GLN HBx 1.0 1.8 5.5 1231 863 A 68 GLN HE21 A 68 GLN HBx 1.0 1.8 5.5 1232 863 A 68 GLN HBy A 68 GLN HE22 1.0 1.8 5.5 1233 864 A 69 LEU H A 69 LEU HB2 1.0 1.8 4.3 1234 864 A 69 LEU H A 69 LEU HB3 1.0 1.8 4.3 1235 865 A 69 LEU H A 69 LEU HD2% 1.0 1.8 4.5 1236 865 A 69 LEU H A 69 LEU HD1% 1.0 1.8 4.5 1237 866 A 69 LEU HA A 69 LEU HD2% 1.0 1.8 4.8 1238 866 A 69 LEU HA A 69 LEU HD1% 1.0 1.8 4.8 1239 867 A 71 GLN HE21 A 70 PRO HB2 1.0 1.8 5.9 1240 867 A 71 GLN HE21 A 70 PRO HB3 1.0 1.8 5.9 1241 868 A 74 TRP H A 71 GLN HB2 1.0 1.8 6.3 1242 868 A 74 TRP H A 71 GLN HB3 1.0 1.8 6.3 1243 869 A 71 GLN HB2 A 75 LEU HD2% 1.0 1.8 4.8 1244 869 A 71 GLN HB3 A 75 LEU HD2% 1.0 1.8 4.8 1245 869 A 75 LEU HD1% A 71 GLN HB2 1.0 1.8 4.8 1246 869 A 75 LEU HD1% A 71 GLN HB3 1.0 1.8 4.8 1247 870 A 71 GLN HGx A 75 LEU HD2% 1.0 1.8 5.4 1248 870 A 75 LEU HD1% A 71 GLN HGx 1.0 1.8 5.4 1249 870 A 71 GLN HGy A 75 LEU HD1% 1.0 1.8 5.4 1250 870 A 71 GLN HGy A 75 LEU HD2% 1.0 1.8 5.4 1251 871 A 71 GLN HE21 A 75 LEU HD2% 1.0 1.8 6.4 1252 871 A 71 GLN HE21 A 75 LEU HD1% 1.0 1.8 6.4 1253 872 A 72 VAL H A 72 VAL HG2% 1.0 1.8 4.2 1254 872 A 72 VAL H A 72 VAL HG1% 1.0 1.8 4.2 1255 873 A 73 ALA H A 72 VAL HG2% 1.0 1.8 4.4 1256 873 A 73 ALA H A 72 VAL HG1% 1.0 1.8 4.4 1257 874 A 74 TRP H A 72 VAL HG2% 1.0 1.8 6.4 1258 874 A 74 TRP H A 72 VAL HG1% 1.0 1.8 6.4 1259 875 A 74 TRP H A 75 LEU HD2% 1.0 1.8 6.4 1260 875 A 74 TRP H A 75 LEU HD1% 1.0 1.8 6.4 1261 876 A 74 TRP HE3 A 75 LEU HD2% 1.0 1.8 5.2 1262 876 A 74 TRP HE3 A 75 LEU HD1% 1.0 1.8 5.2 1263 877 A 75 LEU H A 75 LEU HB2 1.0 1.8 4.2 1264 877 A 75 LEU H A 75 LEU HB3 1.0 1.8 4.2 1265 878 A 75 LEU H A 75 LEU HD2% 1.0 1.8 4.5 1266 878 A 75 LEU H A 75 LEU HD1% 1.0 1.8 4.5 1267 879 A 79 LEU HD2% A 79 LEU HB2 1.0 1.8 4.4 1268 879 A 79 LEU HD2% A 79 LEU HB3 1.0 1.8 4.4 1269 880 A 80 ALA H A 79 LEU HB2 1.0 1.8 4.5 1270 880 A 80 ALA H A 79 LEU HB3 1.0 1.8 4.5 1271 881 A 80 ALA HB% A 79 LEU HB2 1.0 1.8 5.8 1272 881 A 80 ALA HB% A 79 LEU HB3 1.0 1.8 5.8 1273 882 A 81 ALA H A 79 LEU HB2 1.0 1.8 6.3 1274 882 A 81 ALA H A 79 LEU HB3 1.0 1.8 6.3 1275 883 A 81 ALA H A 82 GLN HG2 1.0 1.8 6.3 1276 883 A 81 ALA H A 82 GLN HG3 1.0 1.8 6.3 1277 884 A 81 ALA HB% A 82 GLN HG2 1.0 1.8 5.0 1278 884 A 81 ALA HB% A 82 GLN HG3 1.0 1.8 5.0 1279 885 A 82 GLN H A 82 GLN HB3 1.0 1.8 4.1 1280 885 A 82 GLN H A 82 GLN HB2 1.0 1.8 4.1 1281 886 A 82 GLN H A 82 GLN HG2 1.0 1.8 4.8 1282 886 A 82 GLN H A 82 GLN HG3 1.0 1.8 4.8 1283 887 A 82 GLN HA A 82 GLN HG2 1.0 1.8 4.7 1284 887 A 82 GLN HA A 82 GLN HG3 1.0 1.8 4.7 1285 888 A 86 ILE HD1% A 82 GLN HB3 1.0 1.8 6.0 1286 888 A 86 ILE HD1% A 82 GLN HB2 1.0 1.8 6.0 1287 889 A 83 LEU H A 82 GLN HG2 1.0 1.8 5.6 1288 889 A 83 LEU H A 82 GLN HG3 1.0 1.8 5.6 1289 890 A 83 LEU H A 83 LEU HB2 1.0 1.8 4.3 1290 890 A 83 LEU H A 83 LEU HB3 1.0 1.8 4.3 1291 891 A 83 LEU H A 83 LEU HD2% 1.0 1.8 4.4 1292 891 A 83 LEU H A 83 LEU HD1% 1.0 1.8 4.4 1293 892 A 83 LEU HA A 83 LEU HD2% 1.0 1.8 5.0 1294 892 A 83 LEU HA A 83 LEU HD1% 1.0 1.8 5.0 1295 893 A 84 GLU H A 83 LEU HB2 1.0 1.8 4.9 1296 893 A 84 GLU H A 83 LEU HB3 1.0 1.8 4.9 1297 894 A 86 ILE H A 86 ILE HG12 1.0 1.8 4.6 1298 894 A 86 ILE H A 86 ILE HG13 1.0 1.8 4.6 1299 895 A 87 ALA H A 86 ILE HG12 1.0 1.8 5.8 1300 895 A 87 ALA H A 86 ILE HG13 1.0 1.8 5.8 1301 896 A 93 TRP H A 93 TRP HB3 1.0 1.8 4.3 1302 896 A 93 TRP H A 93 TRP HB2 1.0 1.8 4.3 1303 897 A 94 SER H A 93 TRP HB3 1.0 1.8 4.8 1304 897 A 94 SER H A 93 TRP HB2 1.0 1.8 4.8 1305 898 A 95 LEU H A 95 LEU HD1% 1.0 1.9 4.8 1306 898 A 95 LEU H A 95 LEU HD2% 1.0 1.9 4.8 1307 899 A 95 LEU HA A 95 LEU HD1% 1.0 1.8 4.8 1308 899 A 95 LEU HA A 95 LEU HD2% 1.0 1.8 4.8 1309 900 A 96 ARG H A 95 LEU HD1% 1.0 1.8 5.9 1310 900 A 96 ARG H A 95 LEU HD2% 1.0 1.8 5.9 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 10 LEU H A 6 LEU O 1.0 1.8 2.2 2 2 A 6 LEU O A 10 LEU N 1.0 2.7 3.2 3 3 A 11 GLU H A 7 LEU O 1.0 1.8 2.2 4 4 A 7 LEU O A 11 GLU N 1.0 2.7 3.2 5 5 A 13 GLN H A 9 LYS O 1.0 1.8 2.2 6 6 A 9 LYS O A 13 GLN N 1.0 2.7 3.2 7 7 A 14 LEU H A 10 LEU O 1.0 1.8 2.2 8 8 A 10 LEU O A 14 LEU N 1.0 2.7 3.2 9 9 A 15 ALA H A 11 GLU O 1.0 1.8 2.2 10 10 A 11 GLU O A 15 ALA N 1.0 2.7 3.2 11 11 A 16 THR H A 12 GLY O 1.0 1.8 2.2 12 12 A 12 GLY O A 16 THR N 1.0 2.7 3.2 13 13 A 17 LEU H A 13 GLN O 1.0 1.8 2.2 14 14 A 13 GLN O A 17 LEU N 1.0 2.7 3.2 15 15 A 18 ARG H A 14 LEU O 1.0 1.8 2.2 16 16 A 14 LEU O A 18 ARG N 1.0 2.7 3.2 17 17 A 19 GLN H A 15 ALA O 1.0 1.8 2.2 18 18 A 15 ALA O A 19 GLN N 1.0 2.7 3.2 19 19 A 20 ARG H A 16 THR O 1.0 1.8 2.2 20 20 A 16 THR O A 20 ARG N 1.0 2.7 3.2 21 21 A 21 CYS H A 17 LEU O 1.0 1.8 2.2 22 22 A 17 LEU O A 21 CYS N 1.0 2.7 3.2 23 23 A 39 PHE H A 35 ASP O 1.0 1.8 2.2 24 24 A 35 ASP O A 39 PHE N 1.0 2.7 3.2 25 25 A 49 CYS H A 45 THR O 1.0 1.8 2.2 26 26 A 45 THR O A 49 CYS N 1.0 2.7 3.2 27 27 A 50 LEU H A 46 LEU O 1.0 1.8 2.2 28 28 A 46 LEU O A 50 LEU N 1.0 2.7 3.2 29 29 A 51 ASP H A 47 GLN O 1.0 1.8 2.2 30 30 A 47 GLN O A 51 ASP N 1.0 2.7 3.2 31 31 A 52 GLU H A 48 ALA O 1.0 1.8 2.2 32 32 A 48 ALA O A 52 GLU N 1.0 2.7 3.2 33 33 A 53 ALA H A 49 CYS O 1.0 1.8 2.2 34 34 A 49 CYS O A 53 ALA N 1.0 2.7 3.2 35 35 A 54 GLY H A 50 LEU O 1.0 1.8 2.2 36 36 A 50 LEU O A 54 GLY N 1.0 2.7 3.2 37 37 A 55 ASP H A 51 ASP O 1.0 1.8 2.2 38 38 A 51 ASP O A 55 ASP N 1.0 2.7 3.2 39 39 A 56 ASN H A 52 GLU O 1.0 1.8 2.2 40 40 A 52 GLU O A 56 ASN N 1.0 2.7 3.2 41 41 A 57 LEU H A 53 ALA O 1.0 1.8 2.2 42 42 A 53 ALA O A 57 LEU N 1.0 2.7 3.2 43 43 A 58 ALA H A 54 GLY O 1.0 1.8 2.2 44 44 A 54 GLY O A 58 ALA N 1.0 2.7 3.2 45 45 A 59 ALA H A 55 ASP O 1.0 1.8 2.2 46 46 A 55 ASP O A 59 ALA N 1.0 2.7 3.2 47 47 A 60 LEU H A 56 ASN O 1.0 1.8 2.2 48 48 A 56 ASN O A 60 LEU N 1.0 2.7 3.2 49 49 A 61 ARG H A 57 LEU O 1.0 1.8 2.2 50 50 A 57 LEU O A 61 ARG N 1.0 2.7 3.2 51 51 A 62 HIS H A 58 ALA O 1.0 1.8 2.2 52 52 A 58 ALA O A 62 HIS N 1.0 2.7 3.2 53 53 A 63 ALA H A 59 ALA O 1.0 1.8 2.2 54 54 A 59 ALA O A 63 ALA N 1.0 2.7 3.2 55 55 A 75 LEU H A 71 GLN O 1.0 1.8 2.2 56 56 A 71 GLN O A 75 LEU N 1.0 2.7 3.2 57 57 A 76 ALA H A 72 VAL O 1.0 1.8 2.2 58 58 A 72 VAL O A 76 ALA N 1.0 2.7 3.2 59 59 A 77 GLU H A 73 ALA O 1.0 1.8 2.2 60 60 A 73 ALA O A 77 GLU N 1.0 2.7 3.2 61 61 A 78 HIS H A 74 TRP O 1.0 1.8 2.2 62 62 A 74 TRP O A 78 HIS N 1.0 2.7 3.2 63 63 A 79 LEU H A 75 LEU O 1.0 1.8 2.2 64 64 A 75 LEU O A 79 LEU N 1.0 2.7 3.2 65 65 A 80 ALA H A 76 ALA O 1.0 1.8 2.2 66 66 A 76 ALA O A 80 ALA N 1.0 2.7 3.2 67 67 A 81 ALA H A 77 GLU O 1.0 1.8 2.2 68 68 A 77 GLU O A 81 ALA N 1.0 2.7 3.2 69 69 A 82 GLN H A 78 HIS O 1.0 1.8 2.2 70 70 A 78 HIS O A 82 GLN N 1.0 2.7 3.2 71 71 A 83 LEU H A 79 LEU O 1.0 1.8 2.2 72 72 A 79 LEU O A 83 LEU N 1.0 2.7 3.2 73 73 A 84 GLU H A 80 ALA O 1.0 1.8 2.2 74 74 A 80 ALA O A 84 GLU N 1.0 2.7 3.2 75 75 A 85 ALA H A 81 ALA O 1.0 1.8 2.2 76 76 A 81 ALA O A 85 ALA N 1.0 2.7 3.2 77 77 A 86 ILE H A 82 GLN O 1.0 1.8 2.2 78 78 A 82 GLN O A 86 ILE N 1.0 2.7 3.2 79 79 A 87 ALA H A 83 LEU O 1.0 1.8 2.2 80 80 A 83 LEU O A 87 ALA N 1.0 2.7 3.2 81 81 A 88 ARG H A 84 GLU O 1.0 1.8 2.2 82 82 A 84 GLU O A 88 ARG N 1.0 2.7 3.2 83 83 A 89 GLU H A 85 ALA O 1.0 1.8 2.2 84 84 A 85 ALA O A 89 GLU N 1.0 2.7 3.2 85 85 A 90 ALA H A 86 ILE O 1.0 1.8 2.2 86 86 A 86 ILE O A 90 ALA N 1.0 2.7 3.2 87 87 A 91 SER H A 87 ALA O 1.0 1.8 2.2 88 88 A 87 ALA O A 91 SER N 1.0 2.7 3.2 89 89 A 92 ALA H A 88 ARG O 1.0 1.8 2.2 90 90 A 88 ARG O A 92 ALA N 1.0 2.7 3.2 91 91 A 93 TRP H A 89 GLU O 1.0 1.8 2.2 92 92 A 89 GLU O A 93 TRP N 1.0 2.7 3.2 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 LYS C A 3 THR N A 3 THR CA A 3 THR C 1.0 -77.7 -46.8 PHI 2 2 A 3 THR N A 3 THR CA A 3 THR C A 4 ALA N 1.0 -60.9 -15.1 PSI 3 3 A 3 THR C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -79.4 -46.0 PHI 4 4 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 LEU N 1.0 -56.8 -19.4 PSI 5 5 A 4 ALA C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -81.2 -48.1 PHI 6 6 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 LEU N 1.0 -53.4 -25.9 PSI 7 7 A 5 LEU C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -78.1 -47.7 PHI 8 8 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 LEU N 1.0 -60.4 -21.7 PSI 9 9 A 6 LEU C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -78.9 -49.7 PHI 10 10 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 GLU N 1.0 -52.4 -24.6 PSI 11 11 A 7 LEU C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -80.1 -49.7 PHI 12 12 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 LYS N 1.0 -57.8 -25.6 PSI 13 13 A 8 GLU C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -77.2 -47.9 PHI 14 14 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 LEU N 1.0 -59.7 -29.5 PSI 15 15 A 9 LYS C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -78.6 -47.9 PHI 16 16 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 GLU N 1.0 -53.1 -26.9 PSI 17 17 A 10 LEU C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -77.6 -50.9 PHI 18 18 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 GLY N 1.0 -55.9 -18.8 PSI 19 19 A 11 GLU C A 12 GLY N A 12 GLY CA A 12 GLY C 1.0 -85.8 -50.2 PHI 20 20 A 12 GLY N A 12 GLY CA A 12 GLY C A 13 GLN N 1.0 -56.6 -25.1 PSI 21 21 A 12 GLY C A 13 GLN N A 13 GLN CA A 13 GLN C 1.0 -77.1 -47.8 PHI 22 22 A 13 GLN N A 13 GLN CA A 13 GLN C A 14 LEU N 1.0 -59.6 -27.7 PSI 23 23 A 13 GLN C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -78.0 -50.2 PHI 24 24 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 ALA N 1.0 -56.7 -26.9 PSI 25 25 A 14 LEU C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -82.6 -48.8 PHI 26 26 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 THR N 1.0 -52.2 -10.4 PSI 27 27 A 15 ALA C A 16 THR N A 16 THR CA A 16 THR C 1.0 -87.7 -53.2 PHI 28 28 A 16 THR N A 16 THR CA A 16 THR C A 17 LEU N 1.0 -54.0 -23.3 PSI 29 29 A 16 THR C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -73.9 -47.7 PHI 30 30 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 ARG N 1.0 -60.6 -28.1 PSI 31 31 A 17 LEU C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -76.9 -46.3 PHI 32 32 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 GLN N 1.0 -57.5 -25.3 PSI 33 33 A 18 ARG C A 19 GLN N A 19 GLN CA A 19 GLN C 1.0 -79.4 -49.2 PHI 34 34 A 19 GLN N A 19 GLN CA A 19 GLN C A 20 ARG N 1.0 -59.7 -19.4 PSI 35 35 A 19 GLN C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -81.3 -49.7 PHI 36 36 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 CYS N 1.0 -59.3 -23.3 PSI 37 37 A 20 ARG C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -109.2 -65.5 PHI 38 38 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 ALA N 1.0 -38.9 13.6 PSI 39 39 A 21 CYS C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -67.3 -34.1 PHI 40 40 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 PRO N 1.0 -63.7 -31.6 PSI 41 41 A 23 PRO C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -122.5 -58.7 PHI 42 42 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 SER N 1.0 -51.6 22.8 PSI 43 43 A 24 VAL C A 25 SER N A 25 SER CA A 25 SER C 1.0 -80.7 -45.7 PHI 44 44 A 25 SER N A 25 SER CA A 25 SER C A 26 GLN N 1.0 -53.7 -8.6 PSI 45 45 A 25 SER C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -91.7 -47.8 PHI 46 46 A 26 GLN N A 26 GLN CA A 26 GLN C A 27 PHE N 1.0 -51.7 -4.7 PSI 47 47 A 26 GLN C A 27 PHE N A 27 PHE CA A 27 PHE C 1.0 -123.4 -76.5 PHI 48 48 A 27 PHE N A 27 PHE CA A 27 PHE C A 28 ALA N 1.0 -25.0 26.1 PSI 49 49 A 27 PHE C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -93.5 -55.3 PHI 50 50 A 28 ALA N A 28 ALA CA A 28 ALA C A 29 THR N 1.0 122.8 165.5 PSI 51 51 A 28 ALA C A 29 THR N A 29 THR CA A 29 THR C 1.0 -149.2 -94.9 PHI 52 52 A 29 THR N A 29 THR CA A 29 THR C A 30 LEU N 1.0 125.6 182.1 PSI 53 53 A 29 THR C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -109.0 -51.4 PHI 54 54 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 SER N 1.0 97.4 149.3 PSI 55 55 A 30 LEU C A 31 SER N A 31 SER CA A 31 SER C 1.0 -92.4 -52.7 PHI 56 56 A 31 SER N A 31 SER CA A 31 SER C A 32 ALA N 1.0 121.2 176.4 PSI 57 57 A 31 SER C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -89.5 -46.5 PHI 58 58 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 ARG N 1.0 -52.9 1.9 PSI 59 59 A 32 ALA C A 33 ARG N A 33 ARG CA A 33 ARG C 1.0 -121.9 -75.2 PHI 60 60 A 33 ARG N A 33 ARG CA A 33 ARG C A 34 PHE N 1.0 -28.4 21.3 PSI 61 61 A 33 ARG C A 34 PHE N A 34 PHE CA A 34 PHE C 1.0 -122.2 -52.2 PHI 62 62 A 34 PHE N A 34 PHE CA A 34 PHE C A 35 ASP N 1.0 115.9 154.9 PSI 63 63 A 34 PHE C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -121.6 -64.1 PHI 64 64 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 ARG N 1.0 70.0 130.0 PSI 65 65 A 35 ASP C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -80.3 -41.0 PHI 66 66 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 HIS N 1.0 -54.7 -0.3 PSI 67 67 A 36 ARG C A 37 HIS N A 37 HIS CA A 37 HIS C 1.0 -89.9 -55.5 PHI 68 68 A 37 HIS N A 37 HIS CA A 37 HIS C A 38 LEU N 1.0 -47.2 6.6 PSI 69 69 A 38 LEU C A 39 PHE N A 39 PHE CA A 39 PHE C 1.0 -160.6 -113.0 PHI 70 70 A 39 PHE N A 39 PHE CA A 39 PHE C A 40 GLN N 1.0 128.8 164.9 PSI 71 71 A 39 PHE C A 40 GLN N A 40 GLN CA A 40 GLN C 1.0 -96.5 -50.7 PHI 72 72 A 40 GLN N A 40 GLN CA A 40 GLN C A 41 THR N 1.0 117.4 174.7 PSI 73 73 A 40 GLN C A 41 THR N A 41 THR CA A 41 THR C 1.0 -78.2 -49.7 PHI 74 74 A 41 THR N A 41 THR CA A 41 THR C A 42 ARG N 1.0 -47.1 -6.6 PSI 75 75 A 41 THR C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -127.9 -71.1 PHI 76 76 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 ALA N 1.0 -20.8 21.4 PSI 77 77 A 43 ALA C A 44 THR N A 44 THR CA A 44 THR C 1.0 -129.4 -74.9 PHI 78 78 A 44 THR N A 44 THR CA A 44 THR C A 45 THR N 1.0 -43.1 13.7 PSI 79 79 A 44 THR C A 45 THR N A 45 THR CA A 45 THR C 1.0 -164.9 -99.8 PHI 80 80 A 45 THR N A 45 THR CA A 45 THR C A 46 LEU N 1.0 141.7 180.3 PSI 81 81 A 45 THR C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -87.0 -48.9 PHI 82 82 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 GLN N 1.0 -55.0 -11.7 PSI 83 83 A 46 LEU C A 47 GLN N A 47 GLN CA A 47 GLN C 1.0 -78.2 -49.4 PHI 84 84 A 47 GLN N A 47 GLN CA A 47 GLN C A 48 ALA N 1.0 -55.7 -25.7 PSI 85 85 A 47 GLN C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -78.5 -48.6 PHI 86 86 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 CYS N 1.0 -53.7 -27.0 PSI 87 87 A 48 ALA C A 49 CYS N A 49 CYS CA A 49 CYS C 1.0 -79.2 -48.7 PHI 88 88 A 49 CYS N A 49 CYS CA A 49 CYS C A 50 LEU N 1.0 -57.2 -26.4 PSI 89 89 A 49 CYS C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -76.9 -49.0 PHI 90 90 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 ASP N 1.0 -55.5 -26.8 PSI 91 91 A 50 LEU C A 51 ASP N A 51 ASP CA A 51 ASP C 1.0 -86.0 -53.4 PHI 92 92 A 51 ASP N A 51 ASP CA A 51 ASP C A 52 GLU N 1.0 -54.4 -15.3 PSI 93 93 A 51 ASP C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -83.0 -54.0 PHI 94 94 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 ALA N 1.0 -57.1 -25.9 PSI 95 95 A 52 GLU C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -78.8 -51.8 PHI 96 96 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 GLY N 1.0 -55.5 -24.9 PSI 97 97 A 53 ALA C A 54 GLY N A 54 GLY CA A 54 GLY C 1.0 -83.4 -50.5 PHI 98 98 A 54 GLY N A 54 GLY CA A 54 GLY C A 55 ASP N 1.0 -57.9 -23.0 PSI 99 99 A 54 GLY C A 55 ASP N A 55 ASP CA A 55 ASP C 1.0 -87.5 -50.5 PHI 100 100 A 55 ASP N A 55 ASP CA A 55 ASP C A 56 ASN N 1.0 -58.1 -24.9 PSI 101 101 A 55 ASP C A 56 ASN N A 56 ASN CA A 56 ASN C 1.0 -77.4 -47.2 PHI 102 102 A 56 ASN N A 56 ASN CA A 56 ASN C A 57 LEU N 1.0 -56.2 -19.7 PSI 103 103 A 56 ASN C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -80.8 -46.9 PHI 104 104 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 ALA N 1.0 -58.7 -28.0 PSI 105 105 A 57 LEU C A 58 ALA N A 58 ALA CA A 58 ALA C 1.0 -79.7 -50.1 PHI 106 106 A 58 ALA N A 58 ALA CA A 58 ALA C A 59 ALA N 1.0 -54.8 -29.0 PSI 107 107 A 58 ALA C A 59 ALA N A 59 ALA CA A 59 ALA C 1.0 -80.5 -51.8 PHI 108 108 A 59 ALA N A 59 ALA CA A 59 ALA C A 60 LEU N 1.0 -52.2 -21.3 PSI 109 109 A 59 ALA C A 60 LEU N A 60 LEU CA A 60 LEU C 1.0 -79.3 -49.9 PHI 110 110 A 60 LEU N A 60 LEU CA A 60 LEU C A 61 ARG N 1.0 -59.2 -31.0 PSI 111 111 A 60 LEU C A 61 ARG N A 61 ARG CA A 61 ARG C 1.0 -78.2 -47.0 PHI 112 112 A 61 ARG N A 61 ARG CA A 61 ARG C A 62 HIS N 1.0 -67.2 -26.8 PSI 113 113 A 61 ARG C A 62 HIS N A 62 HIS CA A 62 HIS C 1.0 -76.8 -48.2 PHI 114 114 A 62 HIS N A 62 HIS CA A 62 HIS C A 63 ALA N 1.0 -59.6 -26.9 PSI 115 115 A 62 HIS C A 63 ALA N A 63 ALA CA A 63 ALA C 1.0 -76.4 -49.9 PHI 116 116 A 63 ALA N A 63 ALA CA A 63 ALA C A 64 VAL N 1.0 -56.6 -26.9 PSI 117 117 A 63 ALA C A 64 VAL N A 64 VAL CA A 64 VAL C 1.0 -79.7 -48.5 PHI 118 118 A 64 VAL N A 64 VAL CA A 64 VAL C A 65 GLU N 1.0 -64.0 -26.4 PSI 119 119 A 64 VAL C A 65 GLU N A 65 GLU CA A 65 GLU C 1.0 -75.0 -47.0 PHI 120 120 A 65 GLU N A 65 GLU CA A 65 GLU C A 66 GLN N 1.0 -54.1 -19.3 PSI 121 121 A 65 GLU C A 66 GLN N A 66 GLN CA A 66 GLN C 1.0 -111.5 -74.4 PHI 122 122 A 66 GLN N A 66 GLN CA A 66 GLN C A 67 GLN N 1.0 -14.8 21.3 PSI 123 123 A 66 GLN C A 67 GLN N A 67 GLN CA A 67 GLN C 1.0 37.4 81.6 PHI 124 124 A 67 GLN N A 67 GLN CA A 67 GLN C A 68 GLN N 1.0 17.7 59.5 PSI 125 125 A 67 GLN C A 68 GLN N A 68 GLN CA A 68 GLN C 1.0 -132.5 -75.1 PHI 126 126 A 68 GLN N A 68 GLN CA A 68 GLN C A 69 LEU N 1.0 -16.3 37.3 PSI 127 127 A 68 GLN C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -67.7 -35.4 PHI 128 128 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 PRO N 1.0 -65.2 -35.3 PSI 129 129 A 70 PRO C A 71 GLN N A 71 GLN CA A 71 GLN C 1.0 -78.2 -50.4 PHI 130 130 A 71 GLN N A 71 GLN CA A 71 GLN C A 72 VAL N 1.0 -59.5 -19.5 PSI 131 131 A 71 GLN C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -79.3 -46.9 PHI 132 132 A 72 VAL N A 72 VAL CA A 72 VAL C A 73 ALA N 1.0 -60.9 -24.7 PSI 133 133 A 72 VAL C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -76.1 -44.7 PHI 134 134 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 TRP N 1.0 -53.0 -22.4 PSI 135 135 A 73 ALA C A 74 TRP N A 74 TRP CA A 74 TRP C 1.0 -80.1 -49.7 PHI 136 136 A 74 TRP N A 74 TRP CA A 74 TRP C A 75 LEU N 1.0 -56.1 -28.4 PSI 137 137 A 74 TRP C A 75 LEU N A 75 LEU CA A 75 LEU C 1.0 -78.2 -45.8 PHI 138 138 A 75 LEU N A 75 LEU CA A 75 LEU C A 76 ALA N 1.0 -61.6 -23.6 PSI 139 139 A 75 LEU C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -81.3 -47.8 PHI 140 140 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 GLU N 1.0 -54.2 -24.0 PSI 141 141 A 76 ALA C A 77 GLU N A 77 GLU CA A 77 GLU C 1.0 -76.4 -48.4 PHI 142 142 A 77 GLU N A 77 GLU CA A 77 GLU C A 78 HIS N 1.0 -60.4 -29.3 PSI 143 143 A 77 GLU C A 78 HIS N A 78 HIS CA A 78 HIS C 1.0 -86.5 -47.5 PHI 144 144 A 78 HIS N A 78 HIS CA A 78 HIS C A 79 LEU N 1.0 -54.0 -26.6 PSI 145 145 A 78 HIS C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -82.2 -47.5 PHI 146 146 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 ALA N 1.0 -57.1 -27.4 PSI 147 147 A 79 LEU C A 80 ALA N A 80 ALA CA A 80 ALA C 1.0 -74.5 -47.1 PHI 148 148 A 80 ALA N A 80 ALA CA A 80 ALA C A 81 ALA N 1.0 -56.8 -26.6 PSI 149 149 A 80 ALA C A 81 ALA N A 81 ALA CA A 81 ALA C 1.0 -75.0 -50.0 PHI 150 150 A 81 ALA N A 81 ALA CA A 81 ALA C A 82 GLN N 1.0 -56.6 -25.5 PSI 151 151 A 81 ALA C A 82 GLN N A 82 GLN CA A 82 GLN C 1.0 -85.7 -44.1 PHI 152 152 A 82 GLN N A 82 GLN CA A 82 GLN C A 83 LEU N 1.0 -67.2 -23.9 PSI 153 153 A 82 GLN C A 83 LEU N A 83 LEU CA A 83 LEU C 1.0 -73.3 -46.5 PHI 154 154 A 83 LEU N A 83 LEU CA A 83 LEU C A 84 GLU N 1.0 -57.1 -24.6 PSI 155 155 A 83 LEU C A 84 GLU N A 84 GLU CA A 84 GLU C 1.0 -80.4 -53.2 PHI 156 156 A 84 GLU N A 84 GLU CA A 84 GLU C A 85 ALA N 1.0 -57.6 -26.0 PSI 157 157 A 84 GLU C A 85 ALA N A 85 ALA CA A 85 ALA C 1.0 -82.1 -48.5 PHI 158 158 A 85 ALA N A 85 ALA CA A 85 ALA C A 86 ILE N 1.0 -54.9 -21.3 PSI 159 159 A 85 ALA C A 86 ILE N A 86 ILE CA A 86 ILE C 1.0 -80.3 -50.0 PHI 160 160 A 86 ILE N A 86 ILE CA A 86 ILE C A 87 ALA N 1.0 -61.0 -30.8 PSI 161 161 A 86 ILE C A 87 ALA N A 87 ALA CA A 87 ALA C 1.0 -73.1 -44.3 PHI 162 162 A 87 ALA N A 87 ALA CA A 87 ALA C A 88 ARG N 1.0 -60.0 -25.0 PSI 163 163 A 87 ALA C A 88 ARG N A 88 ARG CA A 88 ARG C 1.0 -80.3 -52.4 PHI 164 164 A 88 ARG N A 88 ARG CA A 88 ARG C A 89 GLU N 1.0 -54.1 -21.8 PSI 165 165 A 88 ARG C A 89 GLU N A 89 GLU CA A 89 GLU C 1.0 -78.3 -50.4 PHI 166 166 A 89 GLU N A 89 GLU CA A 89 GLU C A 90 ALA N 1.0 -59.1 -26.8 PSI 167 167 A 89 GLU C A 90 ALA N A 90 ALA CA A 90 ALA C 1.0 -76.0 -46.6 PHI 168 168 A 90 ALA N A 90 ALA CA A 90 ALA C A 91 SER N 1.0 -57.1 -21.8 PSI 169 169 A 90 ALA C A 91 SER N A 91 SER CA A 91 SER C 1.0 -76.1 -49.6 PHI 170 170 A 91 SER N A 91 SER CA A 91 SER C A 92 ALA N 1.0 -53.9 -24.4 PSI 171 171 A 91 SER C A 92 ALA N A 92 ALA CA A 92 ALA C 1.0 -86.9 -47.1 PHI 172 172 A 92 ALA N A 92 ALA CA A 92 ALA C A 93 TRP N 1.0 -60.6 -15.6 PSI 173 173 A 92 ALA C A 93 TRP N A 93 TRP CA A 93 TRP C 1.0 -126.9 -55.8 PHI 174 174 A 93 TRP N A 93 TRP CA A 93 TRP C A 94 SER N 1.0 -40.7 9.4 PSI stop_ save_