data_nef_c18399_2lrw 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 -5 HIS start . . 2 A -4 HIS middle . . 3 A -3 HIS middle . . 4 A -2 HIS middle . . 5 A -1 HIS middle . . 6 A 0 HIS middle . . 7 A 1 MET middle . . 8 A 2 LEU middle . . 9 A 3 LEU middle . . 10 A 4 LYS middle . . 11 A 5 VAL middle . . 12 A 6 LYS middle . . 13 A 7 THR middle . . 14 A 8 VAL middle . . 15 A 9 SER middle . . 16 A 10 ASN middle . . 17 A 11 LYS middle . . 18 A 12 VAL middle . . 19 A 13 ILE middle . . 20 A 14 GLN middle . . 21 A 15 ILE middle . . 22 A 16 THR middle . . 23 A 17 SER middle . . 24 A 18 LEU middle . . 25 A 19 THR middle . . 26 A 20 ASP middle . . 27 A 21 ASP middle . . 28 A 22 ASN middle . . 29 A 23 THR middle . . 30 A 24 ILE middle . . 31 A 25 ALA middle . . 32 A 26 GLU middle . . 33 A 27 LEU middle . . 34 A 28 LYS middle . . 35 A 29 GLY middle . false 36 A 30 LYS middle . . 37 A 31 LEU middle . . 38 A 32 GLU middle . . 39 A 33 GLU middle . . 40 A 34 SER middle . . 41 A 35 GLU middle . . 42 A 36 GLY middle . false 43 A 37 ILE middle . . 44 A 38 PRO middle . false 45 A 39 GLY middle . false 46 A 40 ASN middle . . 47 A 41 MET middle . . 48 A 42 ILE middle . . 49 A 43 ARG middle . . 50 A 44 LEU middle . . 51 A 45 VAL middle . . 52 A 46 TYR middle . . 53 A 47 GLN middle . . 54 A 48 GLY middle . false 55 A 49 LYS middle . . 56 A 50 GLN middle . . 57 A 51 LEU middle . . 58 A 52 GLU middle . . 59 A 53 ASP middle . . 60 A 54 GLU middle . . 61 A 55 LYS middle . . 62 A 56 ARG middle . . 63 A 57 LEU middle . . 64 A 58 LYS middle . . 65 A 59 ASP middle . . 66 A 60 TYR middle . . 67 A 61 GLN middle . . 68 A 62 MET middle . . 69 A 63 SER middle . . 70 A 64 ALA middle . . 71 A 65 GLY middle . false 72 A 66 ALA middle . . 73 A 67 THR middle . . 74 A 68 PHE middle . . 75 A 69 HIS middle . . 76 A 70 MET middle . . 77 A 71 VAL middle . . 78 A 72 VAL middle . . 79 A 73 ALA middle . . 80 A 74 LEU middle . . 81 A 75 ARG middle . . 82 A 76 ALA middle . . 83 A 77 GLY middle . false 84 A 78 CYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H H 1 8.366 0.010 A 1 MET HA H 1 4.502 0.015 A 1 MET HBx H 1 1.708 0.020 A 1 MET HBy H 1 1.872 0.016 A 1 MET HE% H 1 2.253 0.016 A 1 MET CA C 13 54.388 0.247 A 1 MET CB C 13 34.716 0.100 A 1 MET CG C 13 31.334 0.000 A 1 MET N N 15 121.454 0.049 A 2 LEU H H 1 8.251 0.006 A 2 LEU HA H 1 4.474 0.021 A 2 LEU HBx H 1 1.482 0.016 A 2 LEU HBy H 1 1.631 0.018 A 2 LEU HDx% H 1 0.775 0.013 A 2 LEU HG H 1 1.292 0.023 A 2 LEU CA C 13 55.275 0.125 A 2 LEU CB C 13 41.902 0.177 A 2 LEU CDx C 13 24.511 0.000 A 2 LEU CG C 13 28.219 0.000 A 2 LEU N N 15 125.142 0.020 A 3 LEU H H 1 8.307 0.012 A 3 LEU HA H 1 4.796 0.021 A 3 LEU HBx H 1 1.164 0.012 A 3 LEU HBy H 1 1.599 0.020 A 3 LEU HDx% H 1 0.659 0.002 A 3 LEU CA C 13 53.043 0.072 A 3 LEU CB C 13 44.508 0.217 A 3 LEU CG C 13 26.715 0.000 A 3 LEU N N 15 126.326 0.039 A 4 LYS H H 1 8.428 0.014 A 4 LYS HA H 1 5.080 0.014 A 4 LYS HBx H 1 1.398 0.008 A 4 LYS HBy H 1 1.849 0.017 A 4 LYS HDx H 1 1.134 0.000 A 4 LYS HDy H 1 1.134 0.000 A 4 LYS HEx H 1 2.756 0.023 A 4 LYS HEy H 1 2.756 0.023 A 4 LYS HGx H 1 1.472 0.000 A 4 LYS HGy H 1 1.472 0.000 A 4 LYS CA C 13 54.632 0.146 A 4 LYS CB C 13 34.425 0.181 A 4 LYS CG C 13 25.459 0.000 A 4 LYS N N 15 121.349 0.027 A 5 VAL H H 1 9.088 0.014 A 5 VAL HA H 1 4.688 0.018 A 5 VAL HB H 1 1.869 0.012 A 5 VAL HGx% H 1 0.740 0.016 A 5 VAL CA C 13 60.326 0.174 A 5 VAL CB C 13 33.830 0.160 A 5 VAL CGy C 13 22.384 0.000 A 5 VAL CGx C 13 20.738 0.000 A 5 VAL N N 15 122.408 0.065 A 6 LYS H H 1 9.029 0.011 A 6 LYS HA H 1 5.352 0.021 A 6 LYS HBx H 1 1.336 0.016 A 6 LYS HBy H 1 1.696 0.013 A 6 LYS HDx H 1 1.518 0.018 A 6 LYS HDy H 1 1.518 0.018 A 6 LYS HGx H 1 1.221 0.013 A 6 LYS HGy H 1 1.221 0.013 A 6 LYS CA C 13 54.675 0.197 A 6 LYS CB C 13 34.184 0.134 A 6 LYS CG C 13 25.016 0.000 A 6 LYS N N 15 127.778 0.042 A 7 THR H H 1 8.790 0.011 A 7 THR HA H 1 4.860 0.020 A 7 THR HG2% H 1 1.169 0.008 A 7 THR CA C 13 60.392 0.097 A 7 THR CB C 13 71.189 0.134 A 7 THR CG2 C 13 21.383 0.000 A 7 THR N N 15 116.723 0.054 A 8 VAL H H 1 8.872 0.013 A 8 VAL HA H 1 4.103 0.017 A 8 VAL HB H 1 2.328 0.014 A 8 VAL HGx% H 1 1.119 0.021 A 8 VAL CA C 13 64.712 0.100 A 8 VAL CB C 13 31.160 0.235 A 8 VAL CGx C 13 21.314 0.000 A 8 VAL N N 15 119.340 0.078 A 9 SER H H 1 7.859 0.015 A 9 SER HA H 1 4.513 0.014 A 9 SER HBx H 1 3.886 0.009 A 9 SER HBy H 1 4.055 0.000 A 9 SER CA C 13 57.913 0.170 A 9 SER CB C 13 63.243 0.244 A 9 SER N N 15 114.630 0.040 A 10 ASN H H 1 8.229 0.013 A 10 ASN HA H 1 4.192 0.018 A 10 ASN HBx H 1 3.056 0.018 A 10 ASN CA C 13 54.961 0.142 A 10 ASN CB C 13 36.295 0.062 A 10 ASN N N 15 115.509 0.047 A 11 LYS H H 1 7.315 0.017 A 11 LYS HA H 1 4.255 0.000 A 11 LYS HBx H 1 1.609 0.015 A 11 LYS HDx H 1 1.404 0.023 A 11 LYS HDy H 1 1.404 0.023 A 11 LYS HEx H 1 2.825 0.000 A 11 LYS HEy H 1 2.825 0.000 A 11 LYS HGx H 1 1.099 0.022 A 11 LYS HGy H 1 1.555 0.000 A 11 LYS CA C 13 56.347 0.157 A 11 LYS CB C 13 32.936 0.361 A 11 LYS CD C 13 29.387 0.000 A 11 LYS CE C 13 41.870 0.000 A 11 LYS CG C 13 24.874 0.000 A 11 LYS N N 15 120.345 0.040 A 12 VAL H H 1 8.576 0.017 A 12 VAL HA H 1 4.637 0.023 A 12 VAL HB H 1 1.901 0.016 A 12 VAL HGx% H 1 0.700 0.000 A 12 VAL HGy% H 1 0.851 0.018 A 12 VAL CA C 13 61.749 0.145 A 12 VAL CB C 13 32.192 0.122 A 12 VAL CGx C 13 21.360 0.000 A 12 VAL N N 15 125.270 0.041 A 13 ILE H H 1 9.486 0.015 A 13 ILE HA H 1 4.153 0.016 A 13 ILE HB H 1 1.675 0.017 A 13 ILE HD1% H 1 0.744 0.015 A 13 ILE HG1x H 1 1.333 0.015 A 13 ILE HG1y H 1 1.333 0.015 A 13 ILE HG2% H 1 0.916 0.007 A 13 ILE CA C 13 60.445 0.163 A 13 ILE CB C 13 40.195 0.109 A 13 ILE CD1 C 13 17.726 0.000 A 13 ILE CG1 C 13 27.574 0.000 A 13 ILE CG2 C 13 14.815 0.000 A 13 ILE N N 15 130.928 0.092 A 14 GLN H H 1 8.803 0.015 A 14 GLN HA H 1 5.062 0.017 A 14 GLN HBx H 1 1.914 0.014 A 14 GLN HBy H 1 2.323 0.019 A 14 GLN CA C 13 54.795 0.185 A 14 GLN CB C 13 29.601 0.177 A 14 GLN CG C 13 34.955 0.187 A 14 GLN N N 15 124.762 0.033 A 15 ILE H H 1 9.076 0.013 A 15 ILE HA H 1 4.513 0.013 A 15 ILE HB H 1 1.755 0.006 A 15 ILE HD1% H 1 0.628 0.000 A 15 ILE HG1x H 1 1.125 0.016 A 15 ILE HG1y H 1 1.696 0.000 A 15 ILE HG2% H 1 0.904 0.018 A 15 ILE CA C 13 59.639 0.217 A 15 ILE CB C 13 39.171 0.173 A 15 ILE CG1 C 13 26.624 0.000 A 15 ILE CG2 C 13 17.067 0.000 A 15 ILE N N 15 126.010 0.034 A 16 THR H H 1 9.047 0.013 A 16 THR HA H 1 4.904 0.031 A 16 THR HB H 1 4.458 0.000 A 16 THR HG2% H 1 1.071 0.020 A 16 THR CA C 13 61.462 0.162 A 16 THR CB C 13 69.657 0.167 A 16 THR CG2 C 13 21.108 0.000 A 16 THR N N 15 118.074 0.057 A 17 SER H H 1 7.330 0.016 A 17 SER HA H 1 4.440 0.000 A 17 SER HBx H 1 3.748 0.009 A 17 SER HBy H 1 4.053 0.014 A 17 SER CA C 13 58.002 0.000 A 17 SER CB C 13 64.268 0.202 A 17 SER N N 15 113.130 0.069 A 18 LEU H H 1 8.728 0.013 A 18 LEU HA H 1 4.739 0.020 A 18 LEU HBx H 1 1.436 0.015 A 18 LEU HBy H 1 1.829 0.014 A 18 LEU HDx% H 1 0.624 0.008 A 18 LEU CA C 13 53.858 0.119 A 18 LEU CB C 13 42.490 0.156 A 18 LEU CG C 13 26.703 0.000 A 18 LEU N N 15 123.241 0.025 A 19 THR H H 1 9.363 0.016 A 19 THR HA H 1 4.816 0.021 A 19 THR HB H 1 4.339 0.009 A 19 THR HG2% H 1 0.846 0.010 A 19 THR CA C 13 59.575 0.159 A 19 THR CB C 13 72.043 0.083 A 19 THR CG2 C 13 20.598 0.000 A 19 THR N N 15 111.915 0.051 A 20 ASP H H 1 8.785 0.014 A 20 ASP HA H 1 4.333 0.016 A 20 ASP HBx H 1 2.739 0.028 A 20 ASP HBy H 1 2.739 0.028 A 20 ASP CA C 13 55.729 0.088 A 20 ASP CB C 13 39.382 0.164 A 20 ASP N N 15 117.183 0.066 A 21 ASP H H 1 7.775 0.015 A 21 ASP HA H 1 4.674 0.020 A 21 ASP HBx H 1 2.200 0.020 A 21 ASP HBy H 1 2.485 0.018 A 21 ASP CA C 13 54.770 0.210 A 21 ASP CB C 13 42.294 0.178 A 21 ASP N N 15 116.327 0.041 A 22 ASN H H 1 7.829 0.014 A 22 ASN HA H 1 4.892 0.019 A 22 ASN HBx H 1 2.897 0.013 A 22 ASN CA C 13 55.810 0.048 A 22 ASN CB C 13 41.101 0.022 A 22 ASN N N 15 117.269 0.033 A 23 THR H H 1 9.145 0.016 A 23 THR HA H 1 5.206 0.012 A 23 THR HB H 1 4.839 0.004 A 23 THR HG2% H 1 1.150 0.014 A 23 THR CA C 13 59.830 0.144 A 23 THR CB C 13 72.396 0.033 A 23 THR CG2 C 13 21.306 0.000 A 23 THR N N 15 108.639 0.037 A 24 ILE H H 1 8.477 0.016 A 24 ILE HA H 1 3.686 0.016 A 24 ILE HB H 1 2.689 0.014 A 24 ILE HD1% H 1 0.524 0.020 A 24 ILE HG1y H 1 1.784 0.000 A 24 ILE HG1x H 1 1.288 0.024 A 24 ILE HG2% H 1 0.683 0.019 A 24 ILE CA C 13 61.580 0.215 A 24 ILE CB C 13 33.344 0.162 A 24 ILE CD1 C 13 9.259 0.000 A 24 ILE CG1 C 13 27.055 0.000 A 24 ILE CG2 C 13 17.338 0.000 A 24 ILE N N 15 120.336 0.062 A 25 ALA H H 1 8.951 0.013 A 25 ALA HA H 1 3.871 0.023 A 25 ALA HB% H 1 1.417 0.018 A 25 ALA CA C 13 55.956 0.113 A 25 ALA CB C 13 18.160 0.071 A 25 ALA N N 15 123.489 0.047 A 26 GLU H H 1 7.988 0.011 A 26 GLU HA H 1 4.015 0.015 A 26 GLU HBx H 1 1.838 0.020 A 26 GLU HBy H 1 2.624 0.016 A 26 GLU HGx H 1 2.184 0.000 A 26 GLU HGy H 1 2.460 0.016 A 26 GLU CA C 13 59.351 0.254 A 26 GLU CB C 13 28.722 0.123 A 26 GLU CG C 13 38.179 0.000 A 26 GLU N N 15 120.101 0.036 A 27 LEU H H 1 8.083 0.009 A 27 LEU HA H 1 4.033 0.015 A 27 LEU HBx H 1 1.179 0.012 A 27 LEU HBy H 1 2.281 0.014 A 27 LEU HDx% H 1 0.533 0.000 A 27 LEU HDy% H 1 0.751 0.011 A 27 LEU CA C 13 58.662 0.150 A 27 LEU CB C 13 40.157 0.120 A 27 LEU CDy C 13 23.022 0.000 A 27 LEU CG C 13 27.395 0.000 A 27 LEU N N 15 124.025 0.044 A 28 LYS H H 1 8.746 0.016 A 28 LYS HA H 1 3.799 0.020 A 28 LYS HBx H 1 1.775 0.015 A 28 LYS HBy H 1 2.048 0.015 A 28 LYS HDx H 1 1.627 0.001 A 28 LYS HDy H 1 1.695 0.021 A 28 LYS CA C 13 61.510 0.218 A 28 LYS CB C 13 31.848 0.065 A 28 LYS CD C 13 29.947 0.000 A 28 LYS CG C 13 27.841 0.000 A 28 LYS N N 15 119.471 0.050 A 29 GLY H H 1 8.096 0.012 A 29 GLY HAx H 1 3.908 0.013 A 29 GLY CA C 13 47.042 0.142 A 29 GLY N N 15 106.034 0.065 A 30 LYS H H 1 7.704 0.021 A 30 LYS HA H 1 4.237 0.015 A 30 LYS HBx H 1 1.929 0.018 A 30 LYS HBy H 1 2.192 0.018 A 30 LYS HDx H 1 1.335 0.017 A 30 LYS HDy H 1 1.335 0.017 A 30 LYS HGx H 1 1.679 0.017 A 30 LYS HGy H 1 1.679 0.017 A 30 LYS CA C 13 57.342 0.139 A 30 LYS CB C 13 30.533 0.082 A 30 LYS CD C 13 27.674 0.000 A 30 LYS CG C 13 24.154 0.000 A 30 LYS N N 15 121.196 0.021 A 31 LEU H H 1 7.948 0.012 A 31 LEU HA H 1 4.295 0.006 A 31 LEU HBx H 1 1.191 0.022 A 31 LEU HBy H 1 2.052 0.027 A 31 LEU HDx% H 1 0.798 0.009 A 31 LEU CA C 13 57.282 0.276 A 31 LEU CB C 13 42.192 0.119 A 31 LEU CG C 13 27.207 0.000 A 31 LEU N N 15 121.657 0.032 A 32 GLU H H 1 8.714 0.015 A 32 GLU HA H 1 4.354 0.008 A 32 GLU HBx H 1 2.187 0.020 A 32 GLU HBy H 1 2.287 0.000 A 32 GLU HGx H 1 1.928 0.000 A 32 GLU HGy H 1 1.928 0.000 A 32 GLU CA C 13 59.304 0.271 A 32 GLU CB C 13 29.339 0.190 A 32 GLU CG C 13 35.942 0.000 A 32 GLU N N 15 123.295 0.030 A 33 GLU H H 1 7.470 0.017 A 33 GLU HA H 1 3.986 0.019 A 33 GLU HBx H 1 2.160 0.011 A 33 GLU HBy H 1 2.408 0.015 A 33 GLU CA C 13 59.142 0.174 A 33 GLU CB C 13 29.602 0.096 A 33 GLU CG C 13 36.014 0.000 A 33 GLU N N 15 118.296 0.029 A 34 SER H H 1 8.054 0.010 A 34 SER HBx H 1 3.919 0.004 A 34 SER HBy H 1 4.252 0.022 A 34 SER CA C 13 61.150 0.114 A 34 SER CB C 13 63.578 0.072 A 34 SER N N 15 112.266 0.039 A 35 GLU H H 1 8.908 0.014 A 35 GLU HA H 1 4.367 0.021 A 35 GLU HBx H 1 1.777 0.015 A 35 GLU HBy H 1 2.246 0.011 A 35 GLU HGx H 1 2.052 0.021 A 35 GLU HGy H 1 2.347 0.000 A 35 GLU CA C 13 55.056 0.182 A 35 GLU CB C 13 30.544 0.039 A 35 GLU CG C 13 36.868 0.000 A 35 GLU N N 15 116.449 0.047 A 36 GLY H H 1 7.930 0.014 A 36 GLY HAx H 1 3.899 0.014 A 36 GLY HAy H 1 3.899 0.014 A 36 GLY CA C 13 46.424 0.199 A 36 GLY N N 15 108.168 0.037 A 37 ILE H H 1 6.446 0.016 A 37 ILE CA C 13 56.730 0.000 A 37 ILE CB C 13 41.219 0.000 A 37 ILE N N 15 120.326 0.033 A 38 PRO HA H 1 4.176 0.016 A 38 PRO HBx H 1 1.881 0.032 A 38 PRO HBy H 1 2.290 0.020 A 38 PRO HDx H 1 3.564 0.000 A 38 PRO HDy H 1 3.848 0.000 A 38 PRO HGx H 1 2.018 0.001 A 38 PRO HGy H 1 2.018 0.001 A 38 PRO CA C 13 63.018 0.149 A 38 PRO CB C 13 32.159 0.153 A 38 PRO CD C 13 50.462 0.000 A 38 PRO CG C 13 27.645 0.000 A 39 GLY H H 1 9.228 0.015 A 39 GLY HAx H 1 3.579 0.019 A 39 GLY HAy H 1 3.873 0.018 A 39 GLY CA C 13 47.606 0.072 A 39 GLY N N 15 111.710 0.044 A 40 ASN H H 1 8.325 0.011 A 40 ASN HA H 1 4.512 0.022 A 40 ASN HBx H 1 2.765 0.016 A 40 ASN HBy H 1 2.985 0.019 A 40 ASN CA C 13 54.473 0.181 A 40 ASN CB C 13 36.510 0.081 A 40 ASN N N 15 114.967 0.060 A 41 MET H H 1 8.247 0.012 A 41 MET HA H 1 4.557 0.015 A 41 MET HBx H 1 1.994 0.004 A 41 MET HBy H 1 2.344 0.009 A 41 MET HGx H 1 2.453 0.000 A 41 MET HGy H 1 2.535 0.032 A 41 MET CA C 13 54.886 0.205 A 41 MET CB C 13 32.632 0.029 A 41 MET CG C 13 32.280 0.000 A 41 MET N N 15 118.446 0.048 A 42 ILE H H 1 7.422 0.014 A 42 ILE HA H 1 4.096 0.023 A 42 ILE HB H 1 1.848 0.020 A 42 ILE HD1% H 1 0.562 0.028 A 42 ILE HG2% H 1 0.740 0.028 A 42 ILE CA C 13 62.749 0.033 A 42 ILE CB C 13 39.436 0.170 A 42 ILE CG1 C 13 27.773 0.000 A 42 ILE CG2 C 13 17.816 0.000 A 42 ILE N N 15 119.569 0.040 A 43 ARG H H 1 8.967 0.014 A 43 ARG HA H 1 4.580 0.023 A 43 ARG HBx H 1 1.625 0.012 A 43 ARG HBy H 1 1.758 0.013 A 43 ARG HDx H 1 3.045 0.012 A 43 ARG HDy H 1 3.045 0.012 A 43 ARG HGx H 1 1.552 0.000 A 43 ARG HGy H 1 1.552 0.000 A 43 ARG CA C 13 53.962 0.099 A 43 ARG CB C 13 31.029 0.058 A 43 ARG CD C 13 43.112 0.000 A 43 ARG CG C 13 27.195 0.000 A 43 ARG N N 15 127.179 0.032 A 44 LEU H H 1 8.603 0.012 A 44 LEU HA H 1 5.407 0.012 A 44 LEU HBx H 1 1.066 0.005 A 44 LEU HBy H 1 1.430 0.023 A 44 LEU HDx% H 1 0.698 0.008 A 44 LEU CA C 13 52.695 0.250 A 44 LEU CB C 13 46.655 0.333 A 44 LEU CDy C 13 23.810 0.000 A 44 LEU CG C 13 26.527 0.000 A 44 LEU N N 15 122.639 0.030 A 45 VAL H H 1 8.960 0.013 A 45 VAL HA H 1 4.708 0.015 A 45 VAL HB H 1 1.834 0.016 A 45 VAL HGx% H 1 0.715 0.020 A 45 VAL CA C 13 60.583 0.146 A 45 VAL CB C 13 34.601 0.154 A 45 VAL CGx C 13 20.996 0.000 A 45 VAL N N 15 121.931 0.044 A 46 TYR H H 1 8.879 0.016 A 46 TYR HA H 1 5.089 0.015 A 46 TYR HBx H 1 2.566 0.026 A 46 TYR HBy H 1 2.608 0.013 A 46 TYR CA C 13 56.075 0.180 A 46 TYR CB C 13 41.669 0.193 A 46 TYR N N 15 126.384 0.034 A 47 GLN H H 1 9.323 0.014 A 47 GLN HA H 1 3.656 0.017 A 47 GLN HBx H 1 1.634 0.029 A 47 GLN HBy H 1 1.882 0.016 A 47 GLN HGx H 1 1.177 0.015 A 47 GLN HGy H 1 1.177 0.015 A 47 GLN CA C 13 56.274 0.154 A 47 GLN CB C 13 25.441 0.080 A 47 GLN CG C 13 32.889 0.000 A 47 GLN N N 15 127.041 0.037 A 48 GLY H H 1 8.358 0.012 A 48 GLY HAx H 1 3.423 0.016 A 48 GLY HAy H 1 4.065 0.015 A 48 GLY CA C 13 45.373 0.109 A 48 GLY N N 15 102.991 0.074 A 49 LYS H H 1 7.819 0.015 A 49 LYS HA H 1 4.617 0.019 A 49 LYS HBx H 1 1.446 0.020 A 49 LYS HBy H 1 1.852 0.025 A 49 LYS HEy H 1 3.096 0.000 A 49 LYS HEx H 1 3.053 0.001 A 49 LYS CA C 13 54.340 0.228 A 49 LYS CB C 13 34.201 0.079 A 49 LYS CD C 13 29.026 0.000 A 49 LYS CG C 13 24.153 0.000 A 49 LYS N N 15 121.595 0.032 A 50 GLN H H 1 8.757 0.012 A 50 GLN HA H 1 4.585 0.021 A 50 GLN HBx H 1 1.993 0.015 A 50 GLN HBy H 1 2.320 0.018 A 50 GLN CA C 13 55.778 0.030 A 50 GLN CB C 13 28.701 0.194 A 50 GLN CG C 13 34.664 0.000 A 50 GLN N N 15 122.484 0.068 A 51 LEU H H 1 8.442 0.012 A 51 LEU HA H 1 4.287 0.019 A 51 LEU HBx H 1 0.999 0.008 A 51 LEU HBy H 1 1.363 0.017 A 51 LEU HG H 1 1.272 0.004 A 51 LEU CA C 13 54.139 0.139 A 51 LEU CB C 13 42.225 0.132 A 51 LEU CDy C 13 25.107 0.000 A 51 LEU CDx C 13 20.660 0.000 A 51 LEU N N 15 125.130 0.016 A 52 GLU H H 1 8.125 0.012 A 52 GLU HA H 1 4.459 0.012 A 52 GLU HBx H 1 1.951 0.016 A 52 GLU HBy H 1 2.241 0.000 A 52 GLU HGx H 1 2.296 0.011 A 52 GLU HGy H 1 2.296 0.011 A 52 GLU CA C 13 56.110 0.182 A 52 GLU CB C 13 31.046 0.162 A 52 GLU CG C 13 36.202 0.000 A 52 GLU N N 15 122.548 0.049 A 53 ASP H H 1 8.346 0.012 A 53 ASP HA H 1 4.145 0.017 A 53 ASP HBx H 1 2.571 0.019 A 53 ASP HBy H 1 2.571 0.019 A 53 ASP CA C 13 57.699 0.166 A 53 ASP CB C 13 41.011 0.149 A 53 ASP N N 15 122.235 0.065 A 54 GLU H H 1 8.756 0.012 A 54 GLU HA H 1 4.315 0.014 A 54 GLU HBx H 1 2.009 0.017 A 54 GLU HBy H 1 2.126 0.020 A 54 GLU HGx H 1 2.266 0.000 A 54 GLU HGy H 1 2.266 0.000 A 54 GLU CA C 13 57.336 0.118 A 54 GLU CB C 13 29.042 0.286 A 54 GLU CG C 13 36.296 0.000 A 54 GLU N N 15 113.128 0.038 A 55 LYS H H 1 7.677 0.012 A 55 LYS HA H 1 4.251 0.021 A 55 LYS HBx H 1 1.861 0.009 A 55 LYS HBy H 1 2.306 0.013 A 55 LYS HDx H 1 1.384 0.013 A 55 LYS HDy H 1 1.384 0.013 A 55 LYS HEx H 1 2.819 0.000 A 55 LYS HEy H 1 2.819 0.000 A 55 LYS HGx H 1 1.353 0.009 A 55 LYS HGy H 1 1.544 0.000 A 55 LYS CA C 13 55.957 0.162 A 55 LYS CB C 13 32.944 0.269 A 55 LYS CD C 13 28.973 0.000 A 55 LYS CE C 13 42.383 0.000 A 55 LYS CG C 13 26.160 0.000 A 55 LYS N N 15 119.869 0.049 A 56 ARG H H 1 8.797 0.012 A 56 ARG HA H 1 4.724 0.016 A 56 ARG HBy H 1 1.719 0.000 A 56 ARG HBx H 1 1.587 0.016 A 56 ARG HDx H 1 3.129 0.017 A 56 ARG HDy H 1 3.330 0.018 A 56 ARG HGy H 1 1.162 0.000 A 56 ARG HGx H 1 0.835 0.009 A 56 ARG CB C 13 31.120 0.090 A 56 ARG CG C 13 43.428 0.000 A 56 ARG N N 15 117.724 0.083 A 57 LEU H H 1 8.728 0.009 A 57 LEU HA H 1 4.038 0.011 A 57 LEU HBx H 1 1.388 0.013 A 57 LEU HBy H 1 1.896 0.012 A 57 LEU HDx% H 1 0.789 0.005 A 57 LEU HG H 1 1.595 0.008 A 57 LEU CA C 13 59.424 0.262 A 57 LEU CB C 13 40.398 0.128 A 57 LEU CDx C 13 25.789 0.000 A 57 LEU N N 15 123.223 0.039 A 58 LYS H H 1 8.681 0.010 A 58 LYS HA H 1 4.409 0.013 A 58 LYS HBx H 1 1.601 0.026 A 58 LYS HBy H 1 1.951 0.014 A 58 LYS HEx H 1 2.788 0.000 A 58 LYS HEy H 1 2.788 0.000 A 58 LYS HGx H 1 1.182 0.018 A 58 LYS HGy H 1 1.326 0.000 A 58 LYS CA C 13 57.834 0.165 A 58 LYS CB C 13 31.124 0.070 A 58 LYS CD C 13 29.708 0.000 A 58 LYS CE C 13 41.229 0.000 A 58 LYS CG C 13 23.285 0.000 A 58 LYS N N 15 114.073 0.039 A 59 ASP H H 1 7.862 0.015 A 59 ASP HA H 1 4.419 0.021 A 59 ASP HBy H 1 2.736 0.016 A 59 ASP HBx H 1 2.429 0.016 A 59 ASP CA C 13 56.506 0.242 A 59 ASP CB C 13 40.048 0.087 A 59 ASP N N 15 120.640 0.034 A 60 TYR H H 1 7.545 0.017 A 60 TYR HA H 1 4.616 0.018 A 60 TYR HBx H 1 2.635 0.016 A 60 TYR HBy H 1 3.206 0.017 A 60 TYR CA C 13 58.150 0.104 A 60 TYR CB C 13 39.329 0.125 A 60 TYR N N 15 117.775 0.064 A 61 GLN H H 1 8.155 0.011 A 61 GLN HA H 1 4.183 0.017 A 61 GLN HBx H 1 2.181 0.018 A 61 GLN HBy H 1 2.181 0.018 A 61 GLN HGx H 1 2.318 0.000 A 61 GLN HGy H 1 2.318 0.000 A 61 GLN CA C 13 56.617 0.000 A 61 GLN CB C 13 26.578 0.226 A 61 GLN CG C 13 34.106 0.000 A 61 GLN N N 15 117.450 0.049 A 62 MET H H 1 7.997 0.012 A 62 MET HA H 1 4.470 0.014 A 62 MET HBx H 1 1.823 0.023 A 62 MET HGx H 1 2.222 0.020 A 62 MET HGy H 1 2.351 0.016 A 62 MET CA C 13 55.767 0.034 A 62 MET CB C 13 33.105 0.152 A 62 MET CG C 13 31.870 0.000 A 62 MET N N 15 120.193 0.029 A 63 SER H H 1 8.073 0.006 A 63 SER HA H 1 4.530 0.015 A 63 SER HBy H 1 3.890 0.001 A 63 SER HBx H 1 3.867 0.017 A 63 SER CA C 13 57.654 0.154 A 63 SER CB C 13 64.803 0.122 A 63 SER N N 15 116.722 0.036 A 64 ALA H H 1 8.492 0.012 A 64 ALA HA H 1 4.256 0.017 A 64 ALA HB% H 1 1.435 0.016 A 64 ALA CA C 13 53.566 0.140 A 64 ALA CB C 13 18.242 0.159 A 64 ALA N N 15 123.286 0.093 A 65 GLY H H 1 8.907 0.015 A 65 GLY HAx H 1 3.539 0.019 A 65 GLY HAy H 1 4.145 0.021 A 65 GLY CA C 13 45.127 0.177 A 65 GLY N N 15 110.294 0.023 A 66 ALA H H 1 7.572 0.016 A 66 ALA HA H 1 4.288 0.012 A 66 ALA HB% H 1 1.338 0.017 A 66 ALA CA C 13 52.876 0.218 A 66 ALA CB C 13 19.826 0.122 A 66 ALA N N 15 123.229 0.029 A 67 THR H H 1 8.253 0.013 A 67 THR HA H 1 5.060 0.016 A 67 THR HB H 1 3.954 0.007 A 67 THR HG2% H 1 0.917 0.012 A 67 THR CA C 13 61.493 0.129 A 67 THR CB C 13 71.022 0.156 A 67 THR CG2 C 13 20.605 0.000 A 67 THR N N 15 116.161 0.034 A 68 PHE H H 1 8.989 0.012 A 68 PHE HA H 1 5.369 0.017 A 68 PHE HBy H 1 3.002 0.015 A 68 PHE CA C 13 54.013 0.080 A 68 PHE CB C 13 40.893 0.253 A 68 PHE N N 15 124.518 0.051 A 69 HIS H H 1 9.300 0.013 A 69 HIS HA H 1 5.146 0.015 A 69 HIS HBx H 1 2.939 0.023 A 69 HIS HBy H 1 3.110 0.022 A 69 HIS CA C 13 56.131 0.149 A 69 HIS CB C 13 31.584 0.075 A 69 HIS N N 15 120.835 0.053 A 70 MET H H 1 8.563 0.013 A 70 MET HA H 1 5.199 0.015 A 70 MET HBx H 1 1.566 0.020 A 70 MET HBy H 1 1.881 0.012 A 70 MET HGx H 1 2.083 0.014 A 70 MET HGy H 1 2.372 0.016 A 70 MET CA C 13 54.683 0.256 A 70 MET CB C 13 35.426 0.208 A 70 MET CE C 13 27.061 0.000 A 70 MET CG C 13 32.185 0.000 A 70 MET N N 15 122.731 0.034 A 71 VAL H H 1 9.118 0.017 A 71 VAL HA H 1 4.277 0.015 A 71 VAL HB H 1 1.845 0.024 A 71 VAL HGx% H 1 0.798 0.018 A 71 VAL CA C 13 61.343 0.207 A 71 VAL CB C 13 34.656 0.085 A 71 VAL CGy C 13 20.651 0.000 A 71 VAL N N 15 128.801 0.070 A 72 VAL H H 1 8.544 0.011 A 72 VAL HA H 1 4.618 0.016 A 72 VAL HB H 1 1.962 0.022 A 72 VAL HGx% H 1 0.896 0.018 A 72 VAL CA C 13 61.485 0.210 A 72 VAL CB C 13 32.311 0.140 A 72 VAL CGx C 13 21.494 0.000 A 72 VAL N N 15 125.528 0.052 A 73 ALA H H 1 8.957 0.008 A 73 ALA HA H 1 4.323 0.000 A 73 ALA HB% H 1 1.304 0.018 A 73 ALA CA C 13 51.746 0.094 A 73 ALA CB C 13 19.445 0.189 A 73 ALA N N 15 131.664 0.027 A 74 LEU H H 1 8.193 0.004 A 74 LEU HA H 1 4.298 0.000 A 74 LEU HBx H 1 1.574 0.014 A 74 LEU HDx% H 1 0.877 0.024 A 74 LEU CA C 13 55.191 0.069 A 74 LEU CB C 13 42.356 0.102 A 74 LEU CDx C 13 24.347 0.000 A 74 LEU CG C 13 27.318 0.000 A 74 LEU N N 15 120.722 0.032 A 75 ARG H H 1 8.213 0.004 A 75 ARG HA H 1 4.294 0.018 A 75 ARG HBx H 1 1.587 0.018 A 75 ARG HBy H 1 1.791 0.027 A 75 ARG HDx H 1 3.170 0.026 A 75 ARG HDy H 1 3.170 0.026 A 75 ARG CA C 13 55.604 0.121 A 75 ARG CB C 13 30.856 0.085 A 75 ARG CD C 13 43.378 0.000 A 75 ARG CG C 13 27.125 0.000 A 75 ARG N N 15 120.902 0.020 A 76 ALA H H 1 8.471 0.007 A 76 ALA HA H 1 4.278 0.018 A 76 ALA HB% H 1 1.371 0.016 A 76 ALA CA C 13 52.478 0.188 A 76 ALA CB C 13 18.813 0.041 A 76 ALA N N 15 125.815 0.043 A 77 GLY H H 1 8.506 0.011 A 77 GLY HAx H 1 3.949 0.015 A 77 GLY HAy H 1 4.172 0.000 A 77 GLY CA C 13 45.336 0.152 A 77 GLY N N 15 109.110 0.037 A 78 CYS H H 1 7.847 0.006 A 78 CYS CA C 13 59.869 0.000 A 78 CYS CB C 13 28.666 0.000 A 78 CYS N N 15 122.756 0.019 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 MET H A 1 MET HBx 1.0 1.8 3.0 2 2 A 1 MET H A 1 MET HBy 1.0 1.8 3.0 3 3 A 2 LEU H A 1 MET HA 1.0 1.8 3.6 4 4 A 1 MET HBy A 2 LEU H 1.0 1.8 3.0 5 5 A 2 LEU H A 2 LEU HBx 1.0 1.8 3.3 6 6 A 2 LEU H A 2 LEU HBy 1.0 1.8 3.0 7 7 A 2 LEU H A 2 LEU HDx% 1.0 1.8 4.3 8 8 A 2 LEU H A 3 LEU H 1.0 1.8 4.5 9 9 A 2 LEU H A 15 ILE HG1x 1.0 1.8 6.5 10 10 A 2 LEU H A 16 THR HA 1.0 1.8 4.3 11 11 A 2 LEU H A 63 SER HA 1.0 1.8 3.0 12 12 A 2 LEU HBy A 3 LEU H 1.0 1.8 4.3 13 13 A 3 LEU H A 2 LEU HA 1.0 1.8 3.0 14 14 A 2 LEU HDx% A 3 LEU H 1.0 1.8 3.8 15 15 A 3 LEU H A 2 LEU HG 1.0 1.8 3.0 16 16 A 3 LEU H A 3 LEU HA 1.0 1.8 3.0 17 17 A 3 LEU H A 15 ILE HG1x 1.0 1.8 3.0 18 18 A 3 LEU H A 15 ILE H 1.0 1.8 3.4 19 19 A 3 LEU HA A 4 LYS H 1.0 1.8 3.0 20 20 A 4 LYS H A 3 LEU HBy 1.0 1.8 4.1 21 21 A 4 LYS H A 3 LEU HBx 1.0 1.8 3.0 22 22 A 4 LYS H A 4 LYS HA 1.0 1.8 3.0 23 23 A 4 LYS H A 4 LYS HEx 1.0 1.8 5.3 24 23 A 4 LYS H A 4 LYS HEy 1.0 1.8 5.3 25 24 A 4 LYS H A 4 LYS HBx 1.0 1.8 3.3 26 25 A 4 LYS H A 4 LYS HBy 1.0 1.8 3.0 27 26 A 4 LYS H A 5 VAL HGx% 1.0 1.8 4.5 28 26 A 4 LYS H A 5 VAL HG21 1.0 1.8 4.5 29 27 A 4 LYS H A 5 VAL H 1.0 1.8 4.3 30 28 A 4 LYS H A 14 GLN HA 1.0 1.8 4.8 31 29 A 4 LYS H A 66 ALA HA 1.0 1.8 3.3 32 30 A 4 LYS H A 67 THR HB 1.0 1.8 5.3 33 31 A 4 LYS H A 67 THR HG2% 1.0 1.8 5.8 34 32 A 3 LEU HBx A 5 VAL H 1.0 1.8 5.4 35 33 A 4 LYS HA A 5 VAL H 1.0 1.8 3.0 36 34 A 4 LYS H A 5 VAL H 1.0 1.8 4.3 37 35 A 4 LYS HBx A 5 VAL H 1.0 1.8 4.3 38 36 A 5 VAL H A 5 VAL HA 1.0 1.8 3.0 39 37 A 5 VAL H A 5 VAL HB 1.0 1.8 3.8 40 38 A 5 VAL H A 5 VAL HGx% 1.0 1.8 3.0 41 38 A 5 VAL HG21 A 5 VAL H 1.0 1.8 3.0 42 39 A 5 VAL H A 6 LYS HBy 1.0 1.8 5.4 43 40 A 5 VAL H A 6 LYS HA 1.0 1.8 5.3 44 41 A 5 VAL H A 13 ILE H 1.0 1.8 3.3 45 42 A 5 VAL H A 13 ILE HA 1.0 1.8 5.1 46 43 A 5 VAL H A 13 ILE HG2% 1.0 1.8 5.0 47 44 A 5 VAL H A 14 GLN H 1.0 1.8 5.3 48 45 A 5 VAL HA A 6 LYS H 1.0 1.8 3.0 49 46 A 6 LYS H A 5 VAL HGx% 1.0 1.8 4.5 50 46 A 5 VAL HG21 A 6 LYS H 1.0 1.8 4.5 51 47 A 5 VAL HB A 6 LYS H 1.0 1.8 3.3 52 48 A 6 LYS H A 6 LYS HDx 1.0 1.8 3.8 53 48 A 6 LYS H A 6 LYS HDy 1.0 1.8 3.8 54 49 A 6 LYS HA A 6 LYS H 1.0 1.8 3.0 55 50 A 6 LYS HBy A 6 LYS H 1.0 1.8 3.2 56 51 A 6 LYS H A 6 LYS HBx 1.0 1.8 3.8 57 52 A 13 ILE H A 6 LYS H 1.0 1.8 4.8 58 53 A 67 THR HG2% A 6 LYS H 1.0 1.8 5.8 59 54 A 6 LYS H A 68 PHE HBy 1.0 1.8 5.3 60 55 A 6 LYS H A 68 PHE HA 1.0 1.8 3.0 61 56 A 6 LYS H A 69 HIS HA 1.0 1.8 5.6 62 57 A 6 LYS H A 69 HIS H 1.0 1.8 3.0 63 58 A 6 LYS HA A 7 THR H 1.0 1.8 3.0 64 59 A 7 THR H A 6 LYS HGx 1.0 1.8 4.8 65 59 A 7 THR H A 6 LYS HGy 1.0 1.8 4.8 66 60 A 7 THR H A 11 LYS H 1.0 1.8 3.0 67 61 A 7 THR H A 12 VAL HA 1.0 1.8 3.8 68 62 A 6 LYS HA A 8 VAL H 1.0 1.8 6.5 69 63 A 8 VAL H A 7 THR HA 1.0 1.8 3.0 70 64 A 8 VAL H A 8 VAL HA 1.0 1.8 3.0 71 65 A 8 VAL H A 8 VAL HB 1.0 1.8 3.0 72 66 A 8 VAL H A 8 VAL HGx% 1.0 1.8 3.0 73 66 A 8 VAL H A 8 VAL HG21 1.0 1.8 3.0 74 67 A 8 VAL H A 9 SER H 1.0 1.8 3.0 75 68 A 8 VAL H A 9 SER HBx 1.0 1.8 4.5 76 69 A 8 VAL H A 9 SER HA 1.0 1.8 5.3 77 70 A 8 VAL H A 11 LYS HBx 1.0 1.8 5.8 78 71 A 8 VAL H A 70 MET H 1.0 1.8 5.3 79 72 A 8 VAL H A 70 MET HBy 1.0 1.8 6.3 80 73 A 8 VAL H A 70 MET HGx 1.0 1.8 6.5 81 74 A 6 LYS HA A 9 SER H 1.0 1.8 6.5 82 75 A 7 THR HA A 9 SER H 1.0 1.8 4.0 83 76 A 8 VAL HA A 9 SER H 1.0 1.8 3.4 84 77 A 8 VAL HB A 9 SER H 1.0 1.8 4.3 85 78 A 9 SER H A 8 VAL HGx% 1.0 1.8 3.0 86 78 A 8 VAL HG21 A 9 SER H 1.0 1.8 3.0 87 79 A 8 VAL H A 9 SER H 1.0 1.8 3.0 88 80 A 9 SER H A 9 SER HBx 1.0 1.8 3.0 89 81 A 9 SER H A 9 SER HA 1.0 1.8 3.0 90 82 A 9 SER H A 10 ASN HBx 1.0 1.8 5.3 91 83 A 9 SER H A 10 ASN H 1.0 1.8 3.0 92 84 A 11 LYS H A 9 SER H 1.0 1.8 3.5 93 85 A 9 SER H A 11 LYS HBx 1.0 1.8 4.4 94 86 A 6 LYS HA A 10 ASN H 1.0 1.8 6.0 95 87 A 7 THR HA A 10 ASN H 1.0 1.8 5.1 96 88 A 10 ASN H A 7 THR HG2% 1.0 1.8 5.8 97 89 A 8 VAL H A 10 ASN H 1.0 1.8 4.5 98 90 A 8 VAL HB A 10 ASN H 1.0 1.8 5.4 99 91 A 9 SER H A 10 ASN H 1.0 1.8 3.0 100 92 A 9 SER HA A 10 ASN H 1.0 1.8 3.3 101 93 A 10 ASN H A 10 ASN HA 1.0 1.8 3.0 102 94 A 10 ASN HBx A 10 ASN H 1.0 1.8 3.3 103 95 A 10 ASN H A 11 LYS HGy 1.0 1.8 4.5 104 96 A 11 LYS H A 10 ASN H 1.0 1.8 3.0 105 97 A 6 LYS HA A 11 LYS H 1.0 1.8 4.3 106 98 A 11 LYS H A 6 LYS HGx 1.0 1.8 6.0 107 98 A 6 LYS HGy A 11 LYS H 1.0 1.8 6.0 108 99 A 11 LYS H A 7 THR HA 1.0 1.8 4.8 109 100 A 7 THR H A 11 LYS H 1.0 1.8 3.0 110 101 A 11 LYS H A 9 SER HBx 1.0 1.8 4.0 111 102 A 11 LYS H A 9 SER H 1.0 1.8 3.5 112 103 A 11 LYS H A 9 SER HA 1.0 1.8 4.8 113 104 A 11 LYS H A 10 ASN HBx 1.0 1.8 4.4 114 105 A 11 LYS H A 10 ASN H 1.0 1.8 3.0 115 106 A 11 LYS H A 11 LYS HA 1.0 1.8 3.0 116 107 A 11 LYS H A 11 LYS HBx 1.0 1.8 3.0 117 108 A 11 LYS H A 11 LYS HDx 1.0 1.8 5.0 118 108 A 11 LYS H A 11 LYS HDy 1.0 1.8 5.0 119 109 A 11 LYS H A 12 VAL H 1.0 1.8 4.0 120 110 A 11 LYS H A 12 VAL HGy% 1.0 1.8 4.3 121 111 A 6 LYS HA A 12 VAL H 1.0 1.8 4.3 122 112 A 12 VAL H A 11 LYS HBy 1.0 1.8 4.1 123 113 A 12 VAL H A 11 LYS HDx 1.0 1.8 5.8 124 113 A 11 LYS HDy A 12 VAL H 1.0 1.8 5.8 125 114 A 12 VAL H A 11 LYS HGy 1.0 1.8 4.3 126 114 A 12 VAL H A 11 LYS HGx 1.0 1.8 4.3 127 115 A 11 LYS H A 12 VAL H 1.0 1.8 4.0 128 116 A 13 ILE H A 12 VAL H 1.0 1.8 4.5 129 117 A 4 LYS HA A 13 ILE H 1.0 1.8 4.3 130 118 A 5 VAL H A 13 ILE H 1.0 1.8 3.3 131 119 A 6 LYS HA A 13 ILE H 1.0 1.8 3.6 132 120 A 13 ILE H A 12 VAL HGy% 1.0 1.8 4.8 133 121 A 13 ILE H A 12 VAL H 1.0 1.8 4.5 134 122 A 13 ILE H A 12 VAL HA 1.0 1.8 3.0 135 123 A 13 ILE H A 12 VAL HB 1.0 1.8 4.3 136 124 A 13 ILE H A 13 ILE HG1x 1.0 1.8 3.0 137 124 A 13 ILE H A 13 ILE HG1y 1.0 1.8 3.0 138 125 A 13 ILE H A 13 ILE HA 1.0 1.8 3.0 139 126 A 13 ILE H A 13 ILE HB 1.0 1.8 3.0 140 127 A 13 ILE H A 13 ILE HD1% 1.0 1.8 4.4 141 128 A 13 ILE H A 14 GLN H 1.0 1.8 4.3 142 129 A 5 VAL H A 14 GLN H 1.0 1.8 5.3 143 130 A 13 ILE H A 14 GLN H 1.0 1.8 4.3 144 131 A 13 ILE HA A 14 GLN H 1.0 1.8 3.0 145 132 A 14 GLN H A 13 ILE HB 1.0 1.8 4.3 146 133 A 13 ILE HG2% A 14 GLN H 1.0 1.8 3.3 147 134 A 14 GLN H A 13 ILE HG1x 1.0 1.8 5.3 148 134 A 14 GLN H A 13 ILE HG1y 1.0 1.8 5.3 149 135 A 14 GLN H A 13 ILE HD1% 1.0 1.8 3.8 150 136 A 14 GLN HA A 14 GLN H 1.0 1.8 3.0 151 137 A 14 GLN H A 14 GLN HBy 1.0 1.8 3.0 152 138 A 14 GLN H A 14 GLN HBx 1.0 1.8 3.8 153 139 A 15 ILE H A 14 GLN H 1.0 1.8 4.3 154 140 A 2 LEU HDx% A 15 ILE H 1.0 1.8 4.8 155 141 A 3 LEU H A 15 ILE H 1.0 1.8 3.4 156 142 A 15 ILE H A 3 LEU HBy 1.0 1.8 6.0 157 143 A 15 ILE H A 4 LYS HA 1.0 1.8 3.5 158 144 A 15 ILE H A 13 ILE HG2% 1.0 1.8 4.0 159 145 A 15 ILE H A 14 GLN HA 1.0 1.8 3.0 160 146 A 15 ILE H A 14 GLN HBy 1.0 1.8 4.3 161 147 A 15 ILE H A 14 GLN H 1.0 1.8 4.3 162 148 A 15 ILE H A 15 ILE HA 1.0 1.8 3.0 163 149 A 15 ILE H A 15 ILE HB 1.0 1.8 3.8 164 150 A 16 THR H A 17 SER H 1.0 1.8 3.5 165 151 A 16 THR HA A 16 THR H 1.0 1.8 3.0 166 152 A 16 THR H A 16 THR HG2% 1.0 1.8 3.0 167 153 A 15 ILE HA A 16 THR H 1.0 1.8 3.0 168 154 A 16 THR H A 3 LEU HDx% 1.0 1.8 5.8 169 155 A 2 LEU HBx A 17 SER H 1.0 1.8 4.6 170 156 A 17 SER H A 3 LEU HDx% 1.0 1.8 4.3 171 157 A 15 ILE HB A 17 SER H 1.0 1.8 3.6 172 158 A 15 ILE HA A 17 SER H 1.0 1.8 5.0 173 159 A 17 SER H A 15 ILE HG2% 1.0 1.8 6.0 174 160 A 16 THR HA A 17 SER H 1.0 1.8 3.0 175 161 A 17 SER H A 16 THR HG2% 1.0 1.8 4.3 176 162 A 16 THR H A 17 SER H 1.0 1.8 3.5 177 163 A 17 SER H A 17 SER HBy 1.0 1.8 3.0 178 164 A 17 SER H A 17 SER HBx 1.0 1.8 3.8 179 165 A 17 SER H A 17 SER HA 1.0 1.8 3.0 180 166 A 17 SER H A 18 LEU H 1.0 1.8 3.3 181 167 A 17 SER H A 18 LEU HA 1.0 1.8 4.5 182 168 A 17 SER H A 18 LEU H 1.0 1.8 3.3 183 169 A 18 LEU H A 18 LEU HA 1.0 1.8 3.0 184 170 A 18 LEU H A 18 LEU HBx 1.0 1.8 3.0 185 171 A 18 LEU H A 19 THR H 1.0 1.8 4.6 186 172 A 18 LEU HA A 19 THR H 1.0 1.8 3.0 187 173 A 19 THR H A 18 LEU HBy 1.0 1.8 3.0 188 174 A 18 LEU HBx A 19 THR H 1.0 1.8 4.1 189 175 A 19 THR H A 18 LEU HDx% 1.0 1.8 3.0 190 176 A 19 THR H A 19 THR HG2% 1.0 1.8 4.4 191 177 A 19 THR H A 19 THR HB 1.0 1.8 3.0 192 178 A 19 THR H A 20 ASP H 1.0 1.8 4.5 193 179 A 19 THR H A 22 ASN HBx 1.0 1.8 6.3 194 180 A 19 THR H A 22 ASN H 1.0 1.8 5.4 195 181 A 20 ASP H A 21 ASP H 1.0 1.8 3.0 196 182 A 19 THR H A 20 ASP H 1.0 1.8 4.5 197 183 A 19 THR HB A 20 ASP H 1.0 1.8 3.0 198 184 A 20 ASP H A 19 THR HA 1.0 1.8 3.0 199 185 A 19 THR HG2% A 20 ASP H 1.0 1.8 3.0 200 186 A 20 ASP H A 20 ASP HBx 1.0 1.8 3.5 201 186 A 20 ASP H A 20 ASP HBy 1.0 1.8 3.5 202 187 A 19 THR H A 21 ASP H 1.0 1.8 5.3 203 188 A 19 THR HG2% A 21 ASP H 1.0 1.8 3.0 204 189 A 21 ASP H A 20 ASP HA 1.0 1.8 3.3 205 190 A 21 ASP H A 20 ASP HBx 1.0 1.8 4.3 206 190 A 21 ASP H A 20 ASP HBy 1.0 1.8 4.3 207 191 A 20 ASP H A 21 ASP H 1.0 1.8 3.0 208 192 A 21 ASP H A 21 ASP HA 1.0 1.8 3.0 209 193 A 21 ASP H A 21 ASP HBy 1.0 1.8 3.3 210 194 A 21 ASP H A 21 ASP HBx 1.0 1.8 3.0 211 195 A 22 ASN H A 21 ASP H 1.0 1.8 3.0 212 196 A 21 ASP H A 22 ASN HA 1.0 1.8 4.9 213 197 A 22 ASN HBx A 21 ASP H 1.0 1.8 4.8 214 198 A 21 ASP H A 57 LEU HBx 1.0 1.8 5.3 215 199 A 21 ASP H A 57 LEU HG 1.0 1.8 5.0 216 200 A 19 THR H A 22 ASN H 1.0 1.8 5.4 217 201 A 22 ASN H A 20 ASP HA 1.0 1.8 4.8 218 202 A 20 ASP H A 22 ASN H 1.0 1.8 4.3 219 203 A 22 ASN H A 21 ASP HA 1.0 1.8 3.8 220 204 A 22 ASN H A 21 ASP HBx 1.0 1.8 3.0 221 205 A 22 ASN H A 21 ASP HBy 1.0 1.8 3.0 222 206 A 22 ASN HBx A 22 ASN H 1.0 1.8 3.0 223 207 A 22 ASN H A 22 ASN HA 1.0 1.8 3.0 224 208 A 22 ASN H A 23 THR H 1.0 1.8 3.0 225 209 A 22 ASN H A 23 THR HG2% 1.0 1.8 6.4 226 210 A 22 ASN H A 25 ALA HB% 1.0 1.8 5.6 227 211 A 22 ASN H A 26 GLU HBx 1.0 1.8 4.0 228 212 A 22 ASN H A 56 ARG HBx 1.0 1.8 4.6 229 213 A 22 ASN H A 56 ARG HGx 1.0 1.8 5.3 230 214 A 22 ASN H A 57 LEU HG 1.0 1.8 6.5 231 215 A 22 ASN H A 57 LEU HA 1.0 1.8 5.6 232 216 A 18 LEU HDx% A 23 THR H 1.0 1.8 5.0 233 217 A 20 ASP H A 23 THR H 1.0 1.8 4.8 234 218 A 21 ASP HBx A 23 THR H 1.0 1.8 4.8 235 219 A 22 ASN HBx A 23 THR H 1.0 1.8 3.0 236 220 A 22 ASN HA A 23 THR H 1.0 1.8 3.6 237 221 A 22 ASN H A 23 THR H 1.0 1.8 3.0 238 222 A 23 THR H A 23 THR HA 1.0 1.8 3.0 239 223 A 23 THR H A 23 THR HG2% 1.0 1.8 4.6 240 224 A 23 THR H A 25 ALA HB% 1.0 1.8 5.4 241 225 A 23 THR H A 26 GLU HBx 1.0 1.8 3.4 242 226 A 23 THR H A 26 GLU HBy 1.0 1.8 3.3 243 227 A 23 THR H A 56 ARG HGx 1.0 1.8 6.3 244 228 A 23 THR H A 56 ARG HBx 1.0 1.8 4.8 245 229 A 23 THR H A 57 LEU HA 1.0 1.8 5.6 246 230 A 23 THR HA A 24 ILE H 1.0 1.8 3.6 247 231 A 23 THR H A 24 ILE H 1.0 1.8 4.1 248 232 A 24 ILE H A 24 ILE HA 1.0 1.8 3.0 249 233 A 24 ILE H A 24 ILE HB 1.0 1.8 3.0 250 234 A 24 ILE H A 24 ILE HG1x 1.0 1.8 3.0 251 235 A 24 ILE H A 24 ILE HG2% 1.0 1.8 4.5 252 236 A 24 ILE H A 24 ILE HD1% 1.0 1.8 3.0 253 237 A 24 ILE H A 25 ALA H 1.0 1.8 3.0 254 238 A 24 ILE H A 25 ALA HA 1.0 1.8 5.3 255 239 A 26 GLU HBx A 24 ILE H 1.0 1.8 6.0 256 240 A 24 ILE H A 27 LEU HBx 1.0 1.8 5.0 257 241 A 24 ILE H A 27 LEU H 1.0 1.8 4.8 258 242 A 24 ILE H A 28 LYS HDx 1.0 1.8 6.5 259 243 A 24 ILE H A 28 LYS H 1.0 1.8 6.0 260 244 A 24 ILE H A 53 ASP HA 1.0 1.8 4.4 261 245 A 24 ILE H A 55 LYS HBy 1.0 1.8 6.5 262 246 A 23 THR HA A 25 ALA H 1.0 1.8 5.3 263 247 A 25 ALA H A 23 THR HB 1.0 1.8 4.2 264 248 A 24 ILE H A 25 ALA H 1.0 1.8 3.0 265 249 A 24 ILE HA A 25 ALA H 1.0 1.8 3.6 266 250 A 24 ILE HB A 25 ALA H 1.0 1.8 3.0 267 251 A 24 ILE HG2% A 25 ALA H 1.0 1.8 3.8 268 252 A 24 ILE HD1% A 25 ALA H 1.0 1.8 3.8 269 253 A 25 ALA HB% A 25 ALA H 1.0 1.8 3.3 270 254 A 25 ALA H A 25 ALA HA 1.0 1.8 3.0 271 255 A 26 GLU HBx A 25 ALA H 1.0 1.8 5.2 272 256 A 25 ALA H A 26 GLU H 1.0 1.8 3.0 273 257 A 25 ALA H A 27 LEU HBx 1.0 1.8 5.3 274 258 A 25 ALA H A 27 LEU HBy 1.0 1.8 6.3 275 259 A 25 ALA H A 28 LYS HBy 1.0 1.8 5.8 276 260 A 25 ALA H A 28 LYS HDy 1.0 1.8 4.5 277 261 A 25 ALA H A 53 ASP HA 1.0 1.8 3.3 278 262 A 22 ASN HA A 26 GLU H 1.0 1.8 4.3 279 263 A 22 ASN HBx A 26 GLU H 1.0 1.8 3.0 280 264 A 23 THR H A 26 GLU H 1.0 1.8 3.8 281 265 A 24 ILE HA A 26 GLU H 1.0 1.8 4.4 282 266 A 24 ILE HG2% A 26 GLU H 1.0 1.8 5.5 283 267 A 24 ILE H A 26 GLU H 1.0 1.8 4.0 284 268 A 25 ALA HB% A 26 GLU H 1.0 1.8 3.0 285 269 A 25 ALA H A 26 GLU H 1.0 1.8 3.0 286 270 A 26 GLU HBy A 26 GLU H 1.0 1.8 3.0 287 271 A 26 GLU H A 26 GLU HGy 1.0 1.8 4.4 288 272 A 26 GLU H A 27 LEU HA 1.0 1.8 5.3 289 273 A 27 LEU HBx A 26 GLU H 1.0 1.8 4.4 290 274 A 28 LYS H A 26 GLU H 1.0 1.8 4.3 291 275 A 23 THR H A 27 LEU H 1.0 1.8 5.0 292 276 A 24 ILE HA A 27 LEU H 1.0 1.8 3.5 293 277 A 24 ILE H A 27 LEU H 1.0 1.8 4.8 294 278 A 24 ILE HG2% A 27 LEU H 1.0 1.8 4.8 295 279 A 25 ALA H A 27 LEU H 1.0 1.8 4.3 296 280 A 25 ALA HA A 27 LEU H 1.0 1.8 4.5 297 281 A 26 GLU HBy A 27 LEU H 1.0 1.8 3.0 298 282 A 26 GLU HBx A 27 LEU H 1.0 1.8 4.0 299 283 A 27 LEU HBx A 27 LEU H 1.0 1.8 3.1 300 284 A 27 LEU H A 27 LEU HBy 1.0 1.8 3.3 301 285 A 27 LEU H A 27 LEU HA 1.0 1.8 3.0 302 286 A 27 LEU H A 28 LYS H 1.0 1.8 3.0 303 287 A 27 LEU H A 29 GLY H 1.0 1.8 4.0 304 288 A 27 LEU H A 30 LYS HGx 1.0 1.8 5.1 305 288 A 27 LEU H A 30 LYS HGy 1.0 1.8 5.1 306 289 A 27 LEU H A 30 LYS H 1.0 1.8 4.8 307 290 A 24 ILE HB A 28 LYS H 1.0 1.8 5.6 308 291 A 24 ILE HG2% A 28 LYS H 1.0 1.8 3.8 309 292 A 25 ALA HA A 28 LYS H 1.0 1.8 3.8 310 293 A 25 ALA HB% A 28 LYS H 1.0 1.8 5.8 311 294 A 28 LYS H A 27 LEU HA 1.0 1.8 3.6 312 295 A 28 LYS H A 27 LEU HBy 1.0 1.8 3.0 313 296 A 27 LEU HBx A 28 LYS H 1.0 1.8 3.0 314 297 A 28 LYS H A 28 LYS HBy 1.0 1.8 3.0 315 298 A 28 LYS H A 28 LYS HBx 1.0 1.8 3.6 316 299 A 28 LYS H A 29 GLY H 1.0 1.8 3.0 317 300 A 28 LYS H A 30 LYS H 1.0 1.8 4.1 318 301 A 28 LYS H A 30 LYS HGx 1.0 1.8 6.3 319 301 A 28 LYS H A 30 LYS HGy 1.0 1.8 6.3 320 302 A 25 ALA HB% A 29 GLY H 1.0 1.8 5.3 321 303 A 25 ALA H A 29 GLY H 1.0 1.8 5.8 322 304 A 27 LEU HBx A 29 GLY H 1.0 1.8 5.3 323 305 A 29 GLY H A 27 LEU HDy% 1.0 1.8 6.5 324 306 A 29 GLY H A 28 LYS HBx 1.0 1.8 3.8 325 307 A 28 LYS HBy A 29 GLY H 1.0 1.8 3.9 326 308 A 28 LYS H A 29 GLY H 1.0 1.8 3.0 327 309 A 29 GLY H A 29 GLY HAx 1.0 1.8 3.0 328 310 A 29 GLY H A 30 LYS H 1.0 1.8 3.0 329 311 A 29 GLY H A 30 LYS HA 1.0 1.8 5.3 330 312 A 26 GLU H A 30 LYS H 1.0 1.8 6.0 331 313 A 30 LYS H A 26 GLU HA 1.0 1.8 4.0 332 314 A 30 LYS H A 27 LEU HDy% 1.0 1.8 5.8 333 315 A 29 GLY H A 30 LYS H 1.0 1.8 3.0 334 316 A 30 LYS H A 29 GLY HAx 1.0 1.8 3.5 335 317 A 30 LYS H A 30 LYS HA 1.0 1.8 3.0 336 318 A 30 LYS H A 30 LYS HBy 1.0 1.8 3.6 337 319 A 30 LYS H A 30 LYS HBx 1.0 1.8 3.0 338 320 A 30 LYS H A 30 LYS HDx 1.0 1.8 5.0 339 320 A 30 LYS H A 30 LYS HDy 1.0 1.8 5.0 340 321 A 30 LYS H A 30 LYS HGx 1.0 1.8 3.3 341 321 A 30 LYS HGy A 30 LYS H 1.0 1.8 3.3 342 322 A 30 LYS H A 31 LEU HBx 1.0 1.8 4.6 343 323 A 30 LYS H A 32 GLU HGx 1.0 1.8 4.3 344 323 A 30 LYS H A 32 GLU HGy 1.0 1.8 4.3 345 324 A 27 LEU HA A 31 LEU H 1.0 1.8 4.5 346 325 A 28 LYS H A 31 LEU H 1.0 1.8 5.0 347 326 A 31 LEU H A 28 LYS HA 1.0 1.8 3.5 348 327 A 28 LYS HBx A 31 LEU H 1.0 1.8 5.4 349 328 A 30 LYS H A 31 LEU H 1.0 1.8 3.0 350 329 A 31 LEU H A 30 LYS HDx 1.0 1.8 5.5 351 329 A 30 LYS HDy A 31 LEU H 1.0 1.8 5.5 352 330 A 30 LYS HBx A 31 LEU H 1.0 1.8 3.0 353 331 A 31 LEU H A 31 LEU HDx% 1.0 1.8 4.7 354 332 A 31 LEU H A 31 LEU HA 1.0 1.8 3.0 355 333 A 31 LEU H A 31 LEU HBy 1.0 1.8 3.0 356 334 A 31 LEU HBx A 31 LEU H 1.0 1.8 3.0 357 335 A 31 LEU H A 32 GLU HGx 1.0 1.8 3.8 358 335 A 32 GLU HGy A 31 LEU H 1.0 1.8 3.8 359 336 A 31 LEU H A 33 GLU H 1.0 1.8 4.0 360 337 A 29 GLY HAx A 32 GLU H 1.0 1.8 3.8 361 338 A 30 LYS H A 32 GLU H 1.0 1.8 4.3 362 339 A 30 LYS HBy A 32 GLU H 1.0 1.8 5.8 363 340 A 31 LEU HDx% A 32 GLU H 1.0 1.8 3.6 364 341 A 31 LEU HBx A 32 GLU H 1.0 1.8 3.6 365 342 A 31 LEU H A 32 GLU H 1.0 1.8 3.0 366 343 A 32 GLU H A 32 GLU HA 1.0 1.8 3.0 367 344 A 32 GLU H A 32 GLU HBx 1.0 1.8 3.6 368 345 A 33 GLU H A 32 GLU H 1.0 1.8 3.0 369 346 A 29 GLY H A 33 GLU H 1.0 1.8 6.0 370 347 A 33 GLU H A 30 LYS HDx 1.0 1.8 6.5 371 347 A 30 LYS HDy A 33 GLU H 1.0 1.8 6.5 372 348 A 30 LYS H A 33 GLU H 1.0 1.8 4.8 373 349 A 31 LEU HBx A 33 GLU H 1.0 1.8 5.8 374 350 A 31 LEU HDx% A 33 GLU H 1.0 1.8 5.5 375 351 A 33 GLU H A 32 GLU H 1.0 1.8 3.0 376 352 A 33 GLU H A 33 GLU HA 1.0 1.8 3.0 377 353 A 33 GLU H A 33 GLU HBy 1.0 1.8 3.0 378 354 A 33 GLU H A 33 GLU HBx 1.0 1.8 3.0 379 355 A 33 GLU H A 34 SER HBy 1.0 1.8 4.8 380 356 A 33 GLU H A 35 GLU H 1.0 1.8 4.3 381 357 A 34 SER H A 30 LYS HDx 1.0 1.8 5.8 382 357 A 30 LYS HDy A 34 SER H 1.0 1.8 5.8 383 358 A 31 LEU HDx% A 34 SER H 1.0 1.8 6.0 384 359 A 32 GLU H A 34 SER H 1.0 1.8 4.0 385 360 A 33 GLU HBx A 34 SER H 1.0 1.8 3.8 386 361 A 33 GLU H A 34 SER H 1.0 1.8 3.0 387 362 A 33 GLU HA A 34 SER H 1.0 1.8 3.5 388 363 A 33 GLU HBy A 34 SER H 1.0 1.8 3.0 389 364 A 34 SER HBy A 34 SER H 1.0 1.8 3.0 390 365 A 34 SER H A 35 GLU HBx 1.0 1.8 4.8 391 366 A 35 GLU H A 34 SER H 1.0 1.8 3.0 392 367 A 31 LEU HDx% A 35 GLU H 1.0 1.8 5.3 393 368 A 31 LEU HBx A 35 GLU H 1.0 1.8 6.5 394 369 A 32 GLU HA A 35 GLU H 1.0 1.8 3.8 395 370 A 33 GLU H A 35 GLU H 1.0 1.8 4.3 396 371 A 33 GLU HBy A 35 GLU H 1.0 1.8 5.3 397 372 A 35 GLU H A 34 SER HBx 1.0 1.8 3.8 398 373 A 35 GLU H A 34 SER H 1.0 1.8 3.0 399 374 A 35 GLU H A 35 GLU HGx 1.0 1.8 3.0 400 375 A 35 GLU H A 35 GLU HBx 1.0 1.8 3.0 401 376 A 35 GLU H A 35 GLU HBy 1.0 1.8 3.6 402 377 A 35 GLU H A 36 GLY H 1.0 1.8 3.0 403 378 A 36 GLY H A 36 GLY HAx 1.0 1.8 3.0 404 378 A 36 GLY H A 36 GLY HAy 1.0 1.8 3.0 405 379 A 35 GLU H A 36 GLY H 1.0 1.8 3.0 406 380 A 36 GLY H A 35 GLU HA 1.0 1.8 3.3 407 381 A 35 GLU HBy A 36 GLY H 1.0 1.8 4.1 408 382 A 35 GLU HBx A 36 GLY H 1.0 1.8 3.5 409 383 A 35 GLU HGx A 36 GLY H 1.0 1.8 4.8 410 384 A 36 GLY H A 37 ILE H 1.0 1.8 3.3 411 385 A 33 GLU H A 36 GLY H 1.0 1.8 4.8 412 386 A 35 GLU HBy A 37 ILE H 1.0 1.8 3.1 413 387 A 35 GLU HA A 37 ILE H 1.0 1.8 4.4 414 388 A 36 GLY H A 37 ILE H 1.0 1.8 3.3 415 389 A 37 ILE H A 36 GLY HAx 1.0 1.8 3.0 416 389 A 36 GLY HAy A 37 ILE H 1.0 1.8 3.0 417 390 A 37 ILE H A 38 PRO HGx 1.0 1.8 6.5 418 390 A 37 ILE H A 38 PRO HGy 1.0 1.8 6.5 419 391 A 37 ILE H A 39 GLY HAx 1.0 1.8 6.5 420 392 A 31 LEU HDx% A 39 GLY H 1.0 1.8 4.8 421 393 A 32 GLU HA A 39 GLY H 1.0 1.8 4.6 422 394 A 32 GLU HBx A 39 GLY H 1.0 1.8 5.3 423 395 A 32 GLU H A 39 GLY H 1.0 1.8 6.5 424 396 A 39 GLY H A 38 PRO HA 1.0 1.8 3.0 425 397 A 39 GLY H A 38 PRO HBy 1.0 1.8 4.0 426 398 A 39 GLY H A 38 PRO HBx 1.0 1.8 3.3 427 399 A 39 GLY H A 39 GLY HAy 1.0 1.8 3.0 428 400 A 39 GLY HAx A 39 GLY H 1.0 1.8 3.0 429 401 A 39 GLY H A 40 ASN HBx 1.0 1.8 5.4 430 402 A 39 GLY H A 40 ASN H 1.0 1.8 3.0 431 403 A 38 PRO HBx A 40 ASN H 1.0 1.8 3.3 432 404 A 38 PRO HA A 40 ASN H 1.0 1.8 4.3 433 405 A 38 PRO HBy A 40 ASN H 1.0 1.8 4.6 434 406 A 39 GLY H A 40 ASN H 1.0 1.8 3.0 435 407 A 39 GLY HAx A 40 ASN H 1.0 1.8 3.6 436 408 A 39 GLY HAy A 40 ASN H 1.0 1.8 3.0 437 409 A 40 ASN HBx A 40 ASN H 1.0 1.8 3.3 438 410 A 40 ASN H A 40 ASN HBy 1.0 1.8 3.8 439 411 A 40 ASN H A 41 MET HA 1.0 1.8 4.5 440 412 A 40 ASN H A 41 MET HGy 1.0 1.8 5.8 441 413 A 40 ASN H A 71 VAL HGx% 1.0 1.8 3.0 442 413 A 40 ASN H A 71 VAL HG21 1.0 1.8 3.0 443 414 A 39 GLY HAx A 41 MET H 1.0 1.8 5.8 444 415 A 39 GLY HAy A 41 MET H 1.0 1.8 4.6 445 416 A 39 GLY H A 41 MET H 1.0 1.8 5.4 446 417 A 40 ASN HBx A 41 MET H 1.0 1.8 3.0 447 418 A 40 ASN HBy A 41 MET H 1.0 1.8 3.0 448 419 A 41 MET HA A 41 MET H 1.0 1.8 3.0 449 420 A 41 MET H A 41 MET HBx 1.0 1.8 3.0 450 421 A 41 MET H A 41 MET HBy 1.0 1.8 3.5 451 422 A 41 MET H A 42 ILE HA 1.0 1.8 4.5 452 423 A 41 MET H A 42 ILE H 1.0 1.8 3.0 453 424 A 41 MET H A 42 ILE HD1% 1.0 1.8 3.6 454 425 A 41 MET H A 43 ARG H 1.0 1.8 4.8 455 426 A 41 MET H A 71 VAL HGx% 1.0 1.8 3.0 456 426 A 71 VAL HG21 A 41 MET H 1.0 1.8 3.0 457 427 A 41 MET H A 72 VAL HGx% 1.0 1.8 3.8 458 427 A 41 MET H A 72 VAL HG21 1.0 1.8 3.8 459 428 A 41 MET H A 73 ALA HB% 1.0 1.8 5.8 460 429 A 39 GLY HAy A 42 ILE H 1.0 1.8 4.8 461 430 A 39 GLY HAx A 42 ILE H 1.0 1.8 6.4 462 431 A 39 GLY H A 42 ILE H 1.0 1.8 5.3 463 432 A 41 MET H A 42 ILE H 1.0 1.8 3.0 464 433 A 41 MET HA A 42 ILE H 1.0 1.8 3.6 465 434 A 42 ILE HA A 42 ILE H 1.0 1.8 3.0 466 435 A 42 ILE H A 42 ILE HD1% 1.0 1.8 3.0 467 436 A 42 ILE H A 42 ILE HG1x 1.0 1.8 3.0 468 436 A 42 ILE H A 42 ILE HG1y 1.0 1.8 3.0 469 437 A 42 ILE H A 43 ARG H 1.0 1.8 3.0 470 438 A 70 MET HBy A 42 ILE H 1.0 1.8 5.8 471 439 A 42 ILE H A 70 MET HGy 1.0 1.8 6.1 472 440 A 42 ILE H A 71 VAL HA 1.0 1.8 3.0 473 441 A 42 ILE H A 43 ARG H 1.0 1.8 3.0 474 442 A 42 ILE HA A 43 ARG H 1.0 1.8 3.0 475 443 A 42 ILE HD1% A 43 ARG H 1.0 1.8 5.6 476 444 A 43 ARG H A 42 ILE HB 1.0 1.8 4.3 477 445 A 43 ARG H A 42 ILE HG2% 1.0 1.8 4.3 478 446 A 43 ARG H A 43 ARG HA 1.0 1.8 3.0 479 447 A 43 ARG H A 43 ARG HDx 1.0 1.8 5.0 480 447 A 43 ARG H A 43 ARG HDy 1.0 1.8 5.0 481 448 A 43 ARG H A 43 ARG HBx 1.0 1.8 3.0 482 449 A 43 ARG H A 44 LEU H 1.0 1.8 4.3 483 450 A 43 ARG H A 44 LEU HA 1.0 1.8 4.9 484 451 A 43 ARG H A 70 MET HA 1.0 1.8 5.0 485 452 A 43 ARG H A 70 MET HGy 1.0 1.8 5.3 486 453 A 43 ARG H A 71 VAL HA 1.0 1.8 3.8 487 454 A 42 ILE HA A 44 LEU H 1.0 1.8 5.8 488 455 A 43 ARG HA A 44 LEU H 1.0 1.8 3.0 489 456 A 44 LEU H A 44 LEU HA 1.0 1.8 3.0 490 457 A 44 LEU H A 44 LEU HBx 1.0 1.8 3.8 491 458 A 44 LEU H A 44 LEU HBy 1.0 1.8 3.0 492 459 A 44 LEU H A 68 PHE H 1.0 1.8 6.5 493 460 A 44 LEU H A 69 HIS HBy 1.0 1.8 5.4 494 461 A 44 LEU H A 45 VAL H 1.0 1.8 4.6 495 462 A 44 LEU HA A 45 VAL H 1.0 1.8 3.0 496 463 A 44 LEU HBy A 45 VAL H 1.0 1.8 3.8 497 464 A 44 LEU HBx A 45 VAL H 1.0 1.8 3.0 498 465 A 45 VAL H A 45 VAL HGx% 1.0 1.8 3.0 499 465 A 45 VAL H A 45 VAL HG21 1.0 1.8 3.0 500 466 A 45 VAL H A 45 VAL HA 1.0 1.8 3.0 501 467 A 45 VAL H A 45 VAL HB 1.0 1.8 3.0 502 468 A 45 VAL H A 47 GLN H 1.0 1.8 6.3 503 469 A 68 PHE HBy A 45 VAL H 1.0 1.8 3.3 504 470 A 45 VAL HA A 46 TYR H 1.0 1.8 3.0 505 471 A 45 VAL HB A 46 TYR H 1.0 1.8 4.3 506 472 A 46 TYR H A 45 VAL HGx% 1.0 1.8 3.0 507 472 A 45 VAL HG21 A 46 TYR H 1.0 1.8 3.0 508 473 A 46 TYR H A 46 TYR HA 1.0 1.8 3.0 509 474 A 46 TYR H A 46 TYR HBy 1.0 1.8 3.0 510 475 A 47 GLN H A 45 VAL HGx% 1.0 1.8 4.3 511 475 A 45 VAL HG21 A 47 GLN H 1.0 1.8 4.3 512 476 A 47 GLN H A 46 TYR H 1.0 1.8 4.4 513 477 A 47 GLN H A 46 TYR HA 1.0 1.8 3.0 514 478 A 47 GLN H A 46 TYR HBy 1.0 1.8 4.0 515 479 A 47 GLN H A 47 GLN HA 1.0 1.8 3.0 516 480 A 47 GLN H A 47 GLN HBy 1.0 1.8 3.8 517 481 A 47 GLN H A 47 GLN HBx 1.0 1.8 3.0 518 482 A 47 GLN H A 47 GLN HGx 1.0 1.8 4.3 519 482 A 47 GLN H A 47 GLN HGy 1.0 1.8 4.3 520 483 A 47 GLN H A 48 GLY HAy 1.0 1.8 5.4 521 484 A 47 GLN H A 48 GLY H 1.0 1.8 3.0 522 485 A 47 GLN H A 49 LYS H 1.0 1.8 4.0 523 486 A 48 GLY H A 45 VAL HGx% 1.0 1.8 3.0 524 486 A 45 VAL HG21 A 48 GLY H 1.0 1.8 3.0 525 487 A 45 VAL HA A 48 GLY H 1.0 1.8 5.0 526 488 A 46 TYR HA A 48 GLY H 1.0 1.8 3.8 527 489 A 46 TYR H A 48 GLY H 1.0 1.8 4.3 528 490 A 47 GLN H A 48 GLY H 1.0 1.8 3.0 529 491 A 47 GLN HA A 48 GLY H 1.0 1.8 3.0 530 492 A 47 GLN HBy A 48 GLY H 1.0 1.8 4.3 531 493 A 47 GLN HBx A 48 GLY H 1.0 1.8 4.3 532 494 A 48 GLY H A 47 GLN HGx 1.0 1.8 4.8 533 494 A 47 GLN HGy A 48 GLY H 1.0 1.8 4.8 534 495 A 48 GLY HAy A 48 GLY H 1.0 1.8 3.0 535 496 A 48 GLY H A 48 GLY HAx 1.0 1.8 3.0 536 497 A 48 GLY H A 49 LYS H 1.0 1.8 3.0 537 498 A 48 GLY H A 49 LYS HEx 1.0 1.8 5.0 538 498 A 48 GLY H A 49 LYS HEy 1.0 1.8 5.0 539 499 A 49 LYS H A 45 VAL HGx% 1.0 1.8 3.0 540 499 A 45 VAL HG21 A 49 LYS H 1.0 1.8 3.0 541 500 A 46 TYR HA A 49 LYS H 1.0 1.8 4.3 542 501 A 46 TYR H A 49 LYS H 1.0 1.8 3.3 543 502 A 46 TYR HBy A 49 LYS H 1.0 1.8 4.3 544 503 A 47 GLN HA A 49 LYS H 1.0 1.8 4.3 545 504 A 47 GLN H A 49 LYS H 1.0 1.8 4.0 546 505 A 48 GLY H A 49 LYS H 1.0 1.8 3.0 547 506 A 48 GLY HAy A 49 LYS H 1.0 1.8 3.3 548 507 A 49 LYS H A 48 GLY HAx 1.0 1.8 3.3 549 508 A 49 LYS H A 49 LYS HEy 1.0 1.8 3.3 550 509 A 49 LYS H A 49 LYS HBx 1.0 1.8 3.0 551 510 A 49 LYS H A 49 LYS HBy 1.0 1.8 3.3 552 511 A 49 LYS H A 49 LYS HA 1.0 1.8 3.0 553 512 A 49 LYS H A 50 GLN H 1.0 1.8 4.6 554 513 A 49 LYS HA A 50 GLN H 1.0 1.8 3.0 555 514 A 49 LYS HBy A 50 GLN H 1.0 1.8 3.0 556 515 A 50 GLN H A 50 GLN HBx 1.0 1.8 3.0 557 516 A 50 GLN H A 50 GLN HBy 1.0 1.8 3.8 558 517 A 50 GLN H A 51 LEU H 1.0 1.8 4.5 559 518 A 50 GLN H A 51 LEU H 1.0 1.8 4.5 560 519 A 51 LEU H A 50 GLN HA 1.0 1.8 3.0 561 520 A 50 GLN HBx A 51 LEU H 1.0 1.8 3.5 562 521 A 50 GLN HBy A 51 LEU H 1.0 1.8 3.0 563 522 A 51 LEU H A 51 LEU HBx 1.0 1.8 3.8 564 523 A 51 LEU H A 51 LEU HG 1.0 1.8 3.0 565 524 A 51 LEU H A 52 GLU H 1.0 1.8 3.6 566 525 A 51 LEU H A 53 ASP HBx 1.0 1.8 6.5 567 526 A 24 ILE HB A 52 GLU H 1.0 1.8 5.0 568 527 A 24 ILE HD1% A 52 GLU H 1.0 1.8 5.5 569 528 A 24 ILE HG2% A 52 GLU H 1.0 1.8 4.0 570 529 A 52 GLU H A 51 LEU HA 1.0 1.8 3.0 571 530 A 52 GLU H A 51 LEU HBy 1.0 1.8 4.0 572 531 A 51 LEU HBx A 52 GLU H 1.0 1.8 4.3 573 532 A 52 GLU H A 52 GLU HBx 1.0 1.8 3.0 574 533 A 52 GLU H A 52 GLU HGx 1.0 1.8 3.0 575 533 A 52 GLU H A 52 GLU HGy 1.0 1.8 3.0 576 534 A 52 GLU H A 52 GLU HA 1.0 1.8 3.0 577 535 A 52 GLU H A 53 ASP H 1.0 1.8 3.0 578 536 A 24 ILE HG2% A 53 ASP H 1.0 1.8 3.8 579 537 A 24 ILE HD1% A 53 ASP H 1.0 1.8 5.0 580 538 A 52 GLU HA A 53 ASP H 1.0 1.8 3.3 581 539 A 52 GLU HBx A 53 ASP H 1.0 1.8 3.5 582 540 A 53 ASP H A 52 GLU HGx 1.0 1.8 4.5 583 540 A 52 GLU HGy A 53 ASP H 1.0 1.8 4.5 584 541 A 53 ASP H A 53 ASP HBy 1.0 1.8 3.0 585 541 A 53 ASP H A 53 ASP HBx 1.0 1.8 3.0 586 542 A 53 ASP HA A 53 ASP H 1.0 1.8 3.0 587 543 A 53 ASP H A 54 GLU H 1.0 1.8 3.0 588 544 A 53 ASP H A 55 LYS HDx 1.0 1.8 4.8 589 544 A 53 ASP H A 55 LYS HDy 1.0 1.8 4.8 590 545 A 53 ASP H A 55 LYS H 1.0 1.8 4.0 591 546 A 52 GLU HA A 54 GLU H 1.0 1.8 3.8 592 547 A 53 ASP HA A 54 GLU H 1.0 1.8 3.6 593 548 A 54 GLU H A 53 ASP HBy 1.0 1.8 3.0 594 548 A 53 ASP HBx A 54 GLU H 1.0 1.8 3.0 595 549 A 53 ASP H A 54 GLU H 1.0 1.8 3.0 596 550 A 54 GLU H A 54 GLU HA 1.0 1.8 3.0 597 551 A 54 GLU H A 54 GLU HBx 1.0 1.8 3.0 598 552 A 54 GLU H A 54 GLU HBy 1.0 1.8 3.3 599 553 A 54 GLU H A 55 LYS HDx 1.0 1.8 3.8 600 553 A 54 GLU H A 55 LYS HDy 1.0 1.8 3.8 601 554 A 54 GLU H A 55 LYS H 1.0 1.8 3.0 602 555 A 55 LYS HBy A 54 GLU H 1.0 1.8 6.1 603 556 A 56 ARG HBx A 54 GLU H 1.0 1.8 6.3 604 557 A 54 GLU H A 56 ARG HGy 1.0 1.8 6.5 605 558 A 24 ILE HD1% A 55 LYS H 1.0 1.8 4.0 606 559 A 24 ILE HG2% A 55 LYS H 1.0 1.8 6.0 607 560 A 24 ILE HB A 55 LYS H 1.0 1.8 5.0 608 561 A 52 GLU H A 55 LYS H 1.0 1.8 5.1 609 562 A 55 LYS H A 53 ASP HBy 1.0 1.8 4.8 610 563 A 53 ASP H A 55 LYS H 1.0 1.8 4.0 611 564 A 55 LYS H A 54 GLU HA 1.0 1.8 3.5 612 565 A 55 LYS H A 54 GLU HBy 1.0 1.8 3.3 613 566 A 55 LYS HBy A 55 LYS H 1.0 1.8 3.4 614 567 A 55 LYS H A 55 LYS HBx 1.0 1.8 3.0 615 568 A 55 LYS H A 55 LYS HGx 1.0 1.8 4.3 616 569 A 55 LYS H A 55 LYS HA 1.0 1.8 3.0 617 570 A 56 ARG HGx A 55 LYS H 1.0 1.8 6.5 618 571 A 55 LYS H A 56 ARG H 1.0 1.8 3.3 619 572 A 56 ARG HBx A 55 LYS H 1.0 1.8 5.3 620 573 A 54 GLU HBx A 56 ARG H 1.0 1.8 5.5 621 574 A 56 ARG H A 55 LYS HDx 1.0 1.8 5.0 622 574 A 55 LYS HDy A 56 ARG H 1.0 1.8 5.0 623 575 A 55 LYS HA A 56 ARG H 1.0 1.8 3.0 624 576 A 55 LYS HBy A 56 ARG H 1.0 1.8 4.5 625 577 A 55 LYS HBx A 56 ARG H 1.0 1.8 4.3 626 578 A 56 ARG HBx A 56 ARG H 1.0 1.8 3.5 627 579 A 56 ARG H A 56 ARG HDx 1.0 1.8 3.0 628 580 A 56 ARG H A 56 ARG HDy 1.0 1.8 3.0 629 581 A 56 ARG HDx A 57 LEU H 1.0 1.8 4.4 630 582 A 57 LEU H A 57 LEU HBy 1.0 1.8 3.0 631 583 A 57 LEU HA A 57 LEU H 1.0 1.8 3.0 632 584 A 57 LEU H A 58 LYS HBx 1.0 1.8 4.5 633 585 A 57 LEU H A 59 ASP HBy 1.0 1.8 5.3 634 586 A 58 LYS H A 56 ARG HA 1.0 1.8 4.6 635 587 A 56 ARG HGx A 58 LYS H 1.0 1.8 4.8 636 588 A 57 LEU H A 58 LYS H 1.0 1.8 3.0 637 589 A 57 LEU HA A 58 LYS H 1.0 1.8 3.5 638 590 A 57 LEU HBx A 58 LYS H 1.0 1.8 3.8 639 591 A 58 LYS H A 58 LYS HA 1.0 1.8 3.0 640 592 A 58 LYS H A 58 LYS HBy 1.0 1.8 3.3 641 593 A 58 LYS HBx A 58 LYS H 1.0 1.8 3.1 642 594 A 58 LYS H A 58 LYS HGx 1.0 1.8 3.8 643 595 A 58 LYS H A 59 ASP H 1.0 1.8 3.0 644 596 A 59 ASP HBy A 58 LYS H 1.0 1.8 4.6 645 597 A 58 LYS H A 60 TYR H 1.0 1.8 4.0 646 598 A 55 LYS HGx A 59 ASP H 1.0 1.8 5.5 647 599 A 55 LYS HA A 59 ASP H 1.0 1.8 4.3 648 600 A 57 LEU HA A 59 ASP H 1.0 1.8 3.8 649 601 A 59 ASP H A 57 LEU HDx% 1.0 1.8 5.3 650 602 A 57 LEU H A 59 ASP H 1.0 1.8 4.3 651 603 A 58 LYS HA A 59 ASP H 1.0 1.8 3.5 652 604 A 58 LYS HBx A 59 ASP H 1.0 1.8 3.4 653 605 A 58 LYS HBy A 59 ASP H 1.0 1.8 3.3 654 606 A 58 LYS HGx A 59 ASP H 1.0 1.8 5.0 655 607 A 59 ASP HBy A 59 ASP H 1.0 1.8 3.0 656 608 A 59 ASP H A 59 ASP HBx 1.0 1.8 3.5 657 609 A 59 ASP H A 60 TYR H 1.0 1.8 3.0 658 610 A 59 ASP H A 60 TYR HBy 1.0 1.8 4.8 659 611 A 57 LEU H A 60 TYR H 1.0 1.8 5.1 660 612 A 57 LEU HA A 60 TYR H 1.0 1.8 3.3 661 613 A 57 LEU HBx A 60 TYR H 1.0 1.8 5.5 662 614 A 57 LEU HG A 60 TYR H 1.0 1.8 4.8 663 615 A 60 TYR H A 59 ASP HBx 1.0 1.8 3.8 664 616 A 59 ASP H A 60 TYR H 1.0 1.8 3.0 665 617 A 60 TYR H A 59 ASP HA 1.0 1.8 3.4 666 618 A 60 TYR H A 60 TYR HBx 1.0 1.8 3.0 667 619 A 60 TYR H A 60 TYR HBy 1.0 1.8 3.0 668 620 A 60 TYR H A 60 TYR HA 1.0 1.8 3.0 669 621 A 60 TYR H A 61 GLN H 1.0 1.8 3.0 670 622 A 60 TYR H A 62 MET HGx 1.0 1.8 4.3 671 623 A 60 TYR H A 62 MET HBx 1.0 1.8 5.8 672 624 A 59 ASP HA A 61 GLN H 1.0 1.8 3.8 673 625 A 59 ASP H A 61 GLN H 1.0 1.8 4.1 674 626 A 60 TYR HBy A 61 GLN H 1.0 1.8 3.3 675 627 A 60 TYR HBx A 61 GLN H 1.0 1.8 4.2 676 628 A 60 TYR HA A 61 GLN H 1.0 1.8 3.5 677 629 A 60 TYR H A 61 GLN H 1.0 1.8 3.0 678 630 A 61 GLN H A 61 GLN HA 1.0 1.8 3.0 679 631 A 61 GLN H A 62 MET HBx 1.0 1.8 5.0 680 632 A 61 GLN H A 62 MET HGx 1.0 1.8 3.5 681 633 A 61 GLN H A 62 MET HGy 1.0 1.8 5.3 682 634 A 61 GLN H A 62 MET H 1.0 1.8 3.0 683 635 A 60 TYR H A 62 MET H 1.0 1.8 4.1 684 636 A 60 TYR HBy A 62 MET H 1.0 1.8 5.0 685 637 A 61 GLN HA A 62 MET H 1.0 1.8 3.3 686 638 A 62 MET HGy A 62 MET H 1.0 1.8 3.6 687 639 A 62 MET H A 62 MET HA 1.0 1.8 3.0 688 640 A 62 MET H A 62 MET HBy 1.0 1.8 3.8 689 641 A 1 MET HA A 63 SER H 1.0 1.8 5.3 690 642 A 62 MET HBx A 63 SER H 1.0 1.8 3.0 691 643 A 62 MET HGy A 63 SER H 1.0 1.8 4.3 692 644 A 62 MET HGx A 63 SER H 1.0 1.8 3.8 693 645 A 63 SER H A 63 SER HBy 1.0 1.8 3.8 694 646 A 63 SER H A 64 ALA H 1.0 1.8 3.0 695 647 A 1 MET HBy A 64 ALA H 1.0 1.8 6.0 696 648 A 2 LEU HBy A 64 ALA H 1.0 1.8 5.3 697 649 A 3 LEU HBx A 64 ALA H 1.0 1.8 5.5 698 650 A 62 MET HGx A 64 ALA H 1.0 1.8 5.3 699 651 A 63 SER HA A 64 ALA H 1.0 1.8 3.0 700 652 A 63 SER HBy A 64 ALA H 1.0 1.8 4.0 701 653 A 64 ALA H A 64 ALA HA 1.0 1.8 3.0 702 654 A 64 ALA H A 64 ALA HB% 1.0 1.8 3.3 703 655 A 63 SER HA A 65 GLY H 1.0 1.8 4.4 704 656 A 64 ALA HB% A 65 GLY H 1.0 1.8 4.4 705 657 A 64 ALA HA A 65 GLY H 1.0 1.8 3.0 706 658 A 65 GLY H A 65 GLY HAx 1.0 1.8 3.0 707 659 A 65 GLY H A 66 ALA H 1.0 1.8 4.3 708 660 A 4 LYS HBy A 66 ALA H 1.0 1.8 5.4 709 661 A 4 LYS H A 66 ALA H 1.0 1.8 5.3 710 662 A 65 GLY H A 66 ALA H 1.0 1.8 4.3 711 663 A 66 ALA H A 65 GLY HAy 1.0 1.8 3.3 712 664 A 65 GLY HAx A 66 ALA H 1.0 1.8 3.0 713 665 A 66 ALA H A 66 ALA HB% 1.0 1.8 3.0 714 666 A 66 ALA HA A 66 ALA H 1.0 1.8 3.0 715 667 A 66 ALA H A 67 THR H 1.0 1.8 4.8 716 668 A 66 ALA H A 67 THR HA 1.0 1.8 5.5 717 669 A 67 THR H A 5 VAL HGx% 1.0 1.8 4.8 718 669 A 5 VAL HG21 A 67 THR H 1.0 1.8 4.8 719 670 A 6 LYS H A 67 THR H 1.0 1.8 4.4 720 671 A 67 THR H A 6 LYS HGx 1.0 1.8 4.5 721 671 A 6 LYS HGy A 67 THR H 1.0 1.8 4.5 722 672 A 66 ALA H A 67 THR H 1.0 1.8 4.8 723 673 A 66 ALA HA A 67 THR H 1.0 1.8 3.0 724 674 A 66 ALA HB% A 67 THR H 1.0 1.8 3.3 725 675 A 67 THR HB A 67 THR H 1.0 1.8 3.4 726 676 A 67 THR H A 67 THR HA 1.0 1.8 3.0 727 677 A 67 THR HG2% A 67 THR H 1.0 1.8 4.2 728 678 A 68 PHE H A 5 VAL HGx% 1.0 1.8 5.3 729 678 A 5 VAL HG21 A 68 PHE H 1.0 1.8 5.3 730 679 A 5 VAL HB A 68 PHE H 1.0 1.8 5.8 731 680 A 5 VAL HA A 68 PHE H 1.0 1.8 4.8 732 681 A 6 LYS H A 68 PHE H 1.0 1.8 4.5 733 682 A 44 LEU H A 68 PHE H 1.0 1.8 6.5 734 683 A 68 PHE H A 45 VAL HA 1.0 1.8 5.3 735 684 A 66 ALA HA A 68 PHE H 1.0 1.8 6.3 736 685 A 68 PHE H A 67 THR HA 1.0 1.8 3.0 737 686 A 67 THR HB A 68 PHE H 1.0 1.8 3.3 738 687 A 67 THR HG2% A 68 PHE H 1.0 1.8 3.0 739 688 A 68 PHE HA A 68 PHE H 1.0 1.8 3.0 740 689 A 68 PHE HBy A 68 PHE H 1.0 1.8 3.0 741 690 A 69 HIS H A 68 PHE H 1.0 1.8 4.2 742 691 A 5 VAL HA A 69 HIS H 1.0 1.8 4.4 743 692 A 69 HIS H A 5 VAL HGx% 1.0 1.8 5.3 744 692 A 5 VAL HG21 A 69 HIS H 1.0 1.8 5.3 745 693 A 6 LYS HBx A 69 HIS H 1.0 1.8 5.2 746 694 A 6 LYS HBy A 69 HIS H 1.0 1.8 5.5 747 695 A 67 THR HG2% A 69 HIS H 1.0 1.8 5.8 748 696 A 69 HIS H A 68 PHE H 1.0 1.8 4.3 749 697 A 68 PHE HA A 69 HIS H 1.0 1.8 3.0 750 698 A 68 PHE HBy A 69 HIS H 1.0 1.8 4.5 751 699 A 69 HIS HA A 69 HIS H 1.0 1.8 3.0 752 700 A 69 HIS H A 70 MET HA 1.0 1.8 5.3 753 701 A 7 THR HA A 70 MET H 1.0 1.8 5.0 754 702 A 70 MET H A 42 ILE HA 1.0 1.8 4.3 755 703 A 69 HIS H A 70 MET H 1.0 1.8 4.6 756 704 A 69 HIS HA A 70 MET H 1.0 1.8 3.0 757 705 A 70 MET H A 69 HIS HBx 1.0 1.8 4.1 758 706 A 70 MET H A 69 HIS HBy 1.0 1.8 3.0 759 707 A 70 MET H A 70 MET HBx 1.0 1.8 3.3 760 708 A 70 MET H A 70 MET HBy 1.0 1.8 3.0 761 709 A 70 MET H A 70 MET HGx 1.0 1.8 4.6 762 710 A 70 MET H A 70 MET HGy 1.0 1.8 4.5 763 711 A 70 MET H A 71 VAL HA 1.0 1.8 5.0 764 712 A 70 MET H A 71 VAL H 1.0 1.8 4.3 765 713 A 71 VAL H A 8 VAL HGx% 1.0 1.8 3.0 766 713 A 8 VAL HG21 A 71 VAL H 1.0 1.8 3.0 767 714 A 8 VAL HA A 71 VAL H 1.0 1.8 5.5 768 715 A 70 MET HA A 71 VAL H 1.0 1.8 3.0 769 716 A 70 MET HBy A 71 VAL H 1.0 1.8 4.3 770 717 A 70 MET HBx A 71 VAL H 1.0 1.8 4.3 771 718 A 70 MET HGx A 71 VAL H 1.0 1.8 4.3 772 719 A 70 MET HGy A 71 VAL H 1.0 1.8 3.0 773 720 A 70 MET H A 71 VAL H 1.0 1.8 4.3 774 721 A 71 VAL HA A 71 VAL H 1.0 1.8 3.0 775 722 A 71 VAL H A 71 VAL HGx% 1.0 1.8 3.3 776 722 A 71 VAL HG21 A 71 VAL H 1.0 1.8 3.3 777 723 A 41 MET H A 72 VAL H 1.0 1.8 3.1 778 724 A 70 MET HGy A 72 VAL H 1.0 1.8 4.3 779 725 A 70 MET HA A 72 VAL H 1.0 1.8 5.7 780 726 A 71 VAL HA A 72 VAL H 1.0 1.8 3.0 781 727 A 71 VAL H A 72 VAL H 1.0 1.8 4.1 782 728 A 72 VAL H A 72 VAL HA 1.0 1.8 3.0 783 729 A 72 VAL H A 72 VAL HGx% 1.0 1.8 3.0 784 729 A 72 VAL HG21 A 72 VAL H 1.0 1.8 3.0 785 730 A 72 VAL H A 72 VAL HB 1.0 1.8 3.3 786 731 A 41 MET HBx A 73 ALA H 1.0 1.8 6.5 787 732 A 41 MET H A 73 ALA H 1.0 1.8 6.0 788 733 A 72 VAL HA A 73 ALA H 1.0 1.8 3.0 789 734 A 72 VAL HB A 73 ALA H 1.0 1.8 4.4 790 735 A 73 ALA H A 72 VAL HGx% 1.0 1.8 3.5 791 735 A 72 VAL HG21 A 73 ALA H 1.0 1.8 3.5 792 736 A 72 VAL H A 73 ALA H 1.0 1.8 4.3 793 737 A 73 ALA HB% A 73 ALA H 1.0 1.8 3.0 794 738 A 73 ALA H A 73 ALA HA 1.0 1.8 3.0 795 739 A 72 VAL HA A 74 LEU H 1.0 1.8 5.5 796 740 A 72 VAL HB A 74 LEU H 1.0 1.8 6.4 797 741 A 73 ALA HB% A 74 LEU H 1.0 1.8 4.0 798 742 A 73 ALA H A 74 LEU H 1.0 1.8 4.0 799 743 A 73 ALA HA A 74 LEU H 1.0 1.8 3.0 800 744 A 74 LEU H A 74 LEU HDx% 1.0 1.8 3.0 801 745 A 74 LEU H A 75 ARG HBx 1.0 1.8 4.5 802 746 A 75 ARG HBx A 75 ARG H 1.0 1.8 3.3 803 747 A 75 ARG H A 75 ARG HDx 1.0 1.8 3.8 804 747 A 75 ARG H A 75 ARG HDy 1.0 1.8 3.8 805 748 A 75 ARG H A 75 ARG HA 1.0 1.8 3.0 806 749 A 76 ALA H A 75 ARG HBy 1.0 1.8 3.0 807 750 A 75 ARG HBx A 76 ALA H 1.0 1.8 3.3 808 751 A 75 ARG HA A 76 ALA H 1.0 1.8 3.8 809 752 A 76 ALA H A 76 ALA HB% 1.0 1.8 3.8 810 753 A 77 GLY H A 76 ALA HA 1.0 1.8 3.0 811 754 A 77 GLY H A 77 GLY HAx 1.0 1.8 3.0 812 755 A 76 ALA HB% A 77 GLY H 1.0 1.8 3.0 813 756 A 77 GLY HAx A 78 CYS H 1.0 1.8 3.0 814 757 A 77 GLY H A 78 CYS H 1.0 1.8 3.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 LEU N A 2 LEU CA A 2 LEU C 1.0 -106.82 -71.62 PHI 2 2 A 2 LEU N A 2 LEU CA A 2 LEU C A 3 LEU N 1.0 118.62 138.66 PSI 3 3 A 2 LEU C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -138.96 -101.38 PHI 4 4 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 LYS N 1.0 130.98 148.12 PSI 5 5 A 3 LEU C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -135.92 -110.70 PHI 6 6 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 VAL N 1.0 113.11 152.85 PSI 7 7 A 4 LYS C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -126.99 -100.41 PHI 8 8 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 LYS N 1.0 119.59 143.81 PSI 9 9 A 5 VAL C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -130.71 -94.79 PHI 10 10 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 THR N 1.0 121.11 140.45 PSI 11 11 A 6 LYS C A 7 THR N A 7 THR CA A 7 THR C 1.0 -135.10 -86.66 PHI 12 12 A 7 THR N A 7 THR CA A 7 THR C A 8 VAL N 1.0 155.10 184.32 PSI 13 13 A 7 THR C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -78.79 -49.13 PHI 14 14 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 SER N 1.0 -42.30 -11.20 PSI 15 15 A 8 VAL C A 9 SER N A 9 SER CA A 9 SER C 1.0 -103.70 -74.64 PHI 16 16 A 9 SER N A 9 SER CA A 9 SER C A 10 ASN N 1.0 -19.71 11.67 PSI 17 17 A 11 LYS C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -117.19 -93.53 PHI 18 18 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 ILE N 1.0 110.27 149.63 PSI 19 19 A 12 VAL C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -135.14 -98.56 PHI 20 20 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 GLN N 1.0 116.84 139.86 PSI 21 21 A 13 ILE C A 14 GLN N A 14 GLN CA A 14 GLN C 1.0 -121.79 -102.81 PHI 22 22 A 14 GLN N A 14 GLN CA A 14 GLN C A 15 ILE N 1.0 109.12 134.22 PSI 23 23 A 14 GLN C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -120.53 -97.51 PHI 24 24 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 THR N 1.0 127.76 152.72 PSI 25 25 A 17 SER C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -106.40 -69.18 PHI 26 26 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 THR N 1.0 130.97 152.25 PSI 27 27 A 18 LEU C A 19 THR N A 19 THR CA A 19 THR C 1.0 -135.35 -80.75 PHI 28 28 A 19 THR N A 19 THR CA A 19 THR C A 20 ASP N 1.0 161.93 177.53 PSI 29 29 A 20 ASP C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -95.93 -67.83 PHI 30 30 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 ASN N 1.0 -50.75 -18.85 PSI 31 31 A 21 ASP C A 22 ASN N A 22 ASN CA A 22 ASN C 1.0 -116.14 -81.50 PHI 32 32 A 22 ASN N A 22 ASN CA A 22 ASN C A 23 THR N 1.0 -42.76 -23.14 PSI 33 33 A 24 ILE C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -72.89 -58.91 PHI 34 34 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 GLU N 1.0 -45.92 -29.64 PSI 35 35 A 25 ALA C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -68.74 -61.58 PHI 36 36 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 LEU N 1.0 -47.03 -32.87 PSI 37 37 A 26 GLU C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -66.31 -59.53 PHI 38 38 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 LYS N 1.0 -48.42 -39.30 PSI 39 39 A 27 LEU C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -64.50 -57.64 PHI 40 40 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 GLY N 1.0 -47.83 -35.97 PSI 41 41 A 28 LYS C A 29 GLY N A 29 GLY CA A 29 GLY C 1.0 -67.00 -57.56 PHI 42 42 A 29 GLY N A 29 GLY CA A 29 GLY C A 30 LYS N 1.0 -51.50 -34.14 PSI 43 43 A 29 GLY C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -75.13 -60.37 PHI 44 44 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 LEU N 1.0 -46.76 -28.74 PSI 45 45 A 30 LYS C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -69.00 -60.10 PHI 46 46 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 GLU N 1.0 -41.21 -31.19 PSI 47 47 A 31 LEU C A 32 GLU N A 32 GLU CA A 32 GLU C 1.0 -66.55 -59.77 PHI 48 48 A 32 GLU N A 32 GLU CA A 32 GLU C A 33 GLU N 1.0 -47.56 -36.40 PSI 49 49 A 32 GLU C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -67.73 -58.15 PHI 50 50 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 SER N 1.0 -47.08 -31.30 PSI 51 51 A 33 GLU C A 34 SER N A 34 SER CA A 34 SER C 1.0 -77.78 -64.02 PHI 52 52 A 34 SER N A 34 SER CA A 34 SER C A 35 GLU N 1.0 -44.77 -19.59 PSI 53 53 A 34 SER C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -121.59 -79.67 PHI 54 54 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 GLY N 1.0 -27.53 12.07 PSI 55 55 A 36 GLY C A 37 ILE N A 37 ILE CA A 37 ILE C 1.0 -138.59 -101.47 PHI 56 56 A 37 ILE N A 37 ILE CA A 37 ILE C A 38 PRO N 1.0 94.12 153.56 PSI 57 57 A 38 PRO N A 38 PRO CA A 38 PRO C A 39 GLY N 1.0 134.34 152.16 PSI 58 58 A 38 PRO C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 -63.46 -49.54 PHI 59 59 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 ASN N 1.0 -44.14 -21.06 PSI 60 60 A 40 ASN C A 41 MET N A 41 MET CA A 41 MET C 1.0 -104.22 -72.02 PHI 61 61 A 41 MET N A 41 MET CA A 41 MET C A 42 ILE N 1.0 -41.72 -6.40 PSI 62 62 A 42 ILE C A 43 ARG N A 43 ARG CA A 43 ARG C 1.0 -134.65 -95.79 PHI 63 63 A 43 ARG N A 43 ARG CA A 43 ARG C A 44 LEU N 1.0 111.43 148.89 PSI 64 64 A 43 ARG C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -140.47 -105.75 PHI 65 65 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 VAL N 1.0 133.95 155.89 PSI 66 66 A 44 LEU C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -130.08 -112.68 PHI 67 67 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 TYR N 1.0 118.05 130.75 PSI 68 68 A 45 VAL C A 46 TYR N A 46 TYR CA A 46 TYR C 1.0 -133.36 -94.80 PHI 69 69 A 46 TYR N A 46 TYR CA A 46 TYR C A 47 GLN N 1.0 115.93 129.35 PSI 70 70 A 46 TYR C A 47 GLN N A 47 GLN CA A 47 GLN C 1.0 46.72 59.38 PHI 71 71 A 47 GLN N A 47 GLN CA A 47 GLN C A 48 GLY N 1.0 35.55 47.39 PSI 72 72 A 47 GLN C A 48 GLY N A 48 GLY CA A 48 GLY C 1.0 69.57 83.07 PHI 73 73 A 48 GLY N A 48 GLY CA A 48 GLY C A 49 LYS N 1.0 -7.08 12.20 PSI 74 74 A 48 GLY C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -128.13 -89.55 PHI 75 75 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 GLN N 1.0 135.47 162.81 PSI 76 76 A 52 GLU C A 53 ASP N A 53 ASP CA A 53 ASP C 1.0 -62.72 -52.28 PHI 77 77 A 53 ASP N A 53 ASP CA A 53 ASP C A 54 GLU N 1.0 -40.64 -23.12 PSI 78 78 A 53 ASP C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -91.47 -67.47 PHI 79 79 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 LYS N 1.0 -20.65 2.83 PSI 80 80 A 56 ARG C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -68.01 -54.87 PHI 81 81 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 LYS N 1.0 -47.73 -37.09 PSI 82 82 A 57 LEU C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -68.63 -60.43 PHI 83 83 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 ASP N 1.0 -46.84 -18.66 PSI 84 84 A 58 LYS C A 59 ASP N A 59 ASP CA A 59 ASP C 1.0 -81.85 -58.03 PHI 85 85 A 59 ASP N A 59 ASP CA A 59 ASP C A 60 TYR N 1.0 -41.03 -14.91 PSI 86 86 A 59 ASP C A 60 TYR N A 60 TYR CA A 60 TYR C 1.0 -101.33 -75.45 PHI 87 87 A 60 TYR N A 60 TYR CA A 60 TYR C A 61 GLN N 1.0 -22.22 12.00 PSI 88 88 A 65 GLY C A 66 ALA N A 66 ALA CA A 66 ALA C 1.0 -77.56 -62.30 PHI 89 89 A 66 ALA N A 66 ALA CA A 66 ALA C A 67 THR N 1.0 135.50 156.54 PSI 90 90 A 66 ALA C A 67 THR N A 67 THR CA A 67 THR C 1.0 -123.06 -95.54 PHI 91 91 A 67 THR N A 67 THR CA A 67 THR C A 68 PHE N 1.0 129.35 139.27 PSI 92 92 A 67 THR C A 68 PHE N A 68 PHE CA A 68 PHE C 1.0 -129.78 -102.98 PHI 93 93 A 68 PHE N A 68 PHE CA A 68 PHE C A 69 HIS N 1.0 114.73 160.71 PSI 94 94 A 68 PHE C A 69 HIS N A 69 HIS CA A 69 HIS C 1.0 -120.14 -89.72 PHI 95 95 A 69 HIS N A 69 HIS CA A 69 HIS C A 70 MET N 1.0 113.15 144.09 PSI 96 96 A 69 HIS C A 70 MET N A 70 MET CA A 70 MET C 1.0 -127.26 -111.66 PHI 97 97 A 70 MET N A 70 MET CA A 70 MET C A 71 VAL N 1.0 116.00 137.98 PSI 98 98 A 70 MET C A 71 VAL N A 71 VAL CA A 71 VAL C 1.0 -140.14 -107.82 PHI 99 99 A 71 VAL N A 71 VAL CA A 71 VAL C A 72 VAL N 1.0 110.98 137.08 PSI 100 100 A 71 VAL C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -116.97 -92.45 PHI 101 101 A 72 VAL N A 72 VAL CA A 72 VAL C A 73 ALA N 1.0 106.19 127.31 PSI stop_ save_