data_nef_c17381_2l7y 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 0 MET start . . 2 A 1 SER middle . . 3 A 2 PRO middle . false 4 A 3 LYS middle . . 5 A 4 THR middle . . 6 A 5 ILE middle . . 7 A 6 LEU middle . . 8 A 7 GLY middle . false 9 A 8 ILE middle . . 10 A 9 GLU middle . . 11 A 10 VAL middle . . 12 A 11 SER middle . . 13 A 12 GLN middle . . 14 A 13 GLU middle . . 15 A 14 PRO middle . false 16 A 15 LYS middle . . 17 A 16 LYS middle . . 18 A 17 ASP middle . . 19 A 18 TYR middle . . 20 A 19 LEU middle . . 21 A 20 VAL middle . . 22 A 21 GLY middle . false 23 A 22 ASP middle . . 24 A 23 SER middle . . 25 A 24 LEU middle . . 26 A 25 ASP middle . . 27 A 26 LEU middle . . 28 A 27 SER middle . . 29 A 28 GLU middle . . 30 A 29 GLY middle . false 31 A 30 ARG middle . . 32 A 31 PHE middle . . 33 A 32 ALA middle . . 34 A 33 VAL middle . . 35 A 34 ALA middle . . 36 A 35 TYR middle . . 37 A 36 SER middle . . 38 A 37 ASN middle . . 39 A 38 ASP middle . . 40 A 39 THR middle . . 41 A 40 MET middle . . 42 A 41 GLU middle . . 43 A 42 GLU middle . . 44 A 43 HIS middle . . 45 A 44 SER middle . . 46 A 45 PHE middle . . 47 A 46 THR middle . . 48 A 47 ASP middle . . 49 A 48 GLU middle . . 50 A 49 GLY middle . false 51 A 50 VAL middle . . 52 A 51 GLU middle . . 53 A 52 ILE middle . . 54 A 53 SER middle . . 55 A 54 GLY middle . false 56 A 55 TYR middle . . 57 A 56 ASP middle . . 58 A 57 ALA middle . . 59 A 58 GLN middle . . 60 A 59 LYS middle . . 61 A 60 THR middle . . 62 A 61 GLY middle . false 63 A 62 ARG middle . . 64 A 63 GLN middle . . 65 A 64 THR middle . . 66 A 65 LEU middle . . 67 A 66 THR middle . . 68 A 67 LEU middle . . 69 A 68 HIS middle . . 70 A 69 TYR middle . . 71 A 70 GLN middle . . 72 A 71 GLY middle . false 73 A 72 HIS middle . . 74 A 73 GLU middle . . 75 A 74 VAL middle . . 76 A 75 SER middle . . 77 A 76 PHE middle . . 78 A 77 ASP middle . . 79 A 78 VAL middle . . 80 A 79 LEU middle . . 81 A 80 VAL middle . . 82 A 81 SER middle . . 83 A 82 PRO middle . false 84 A 83 LYS middle . . 85 A 84 ALA middle . . 86 A 85 ALA middle . . 87 A 86 LEU middle . . 88 A 87 ASN middle . . 89 A 88 ASP middle . . 90 A 89 GLU middle . . 91 A 90 LEU middle . . 92 A 91 GLU middle . . 93 A 92 HIS middle . . 94 A 93 HIS middle . . 95 A 94 HIS middle . . 96 A 95 HIS middle . . 97 A 96 HIS middle . . 98 A 97 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 PRO HA H 1 4.426 0.000 A 2 PRO HBy H 1 2.260 0.009 A 2 PRO HBx H 1 1.833 0.024 A 2 PRO HGx H 1 1.940 0.016 A 2 PRO HGy H 1 1.940 0.016 A 2 PRO CA C 13 63.053 0.161 A 2 PRO CB C 13 32.185 0.088 A 2 PRO CD C 13 50.559 0.000 A 2 PRO CG C 13 27.787 0.000 A 3 LYS H H 1 8.460 0.005 A 3 LYS HA H 1 4.208 0.004 A 3 LYS HBx H 1 1.616 0.015 A 3 LYS HBy H 1 1.616 0.015 A 3 LYS HDx H 1 1.873 0.005 A 3 LYS HDy H 1 1.873 0.005 A 3 LYS HGy H 1 1.101 0.007 A 3 LYS HGx H 1 1.010 0.019 A 3 LYS CA C 13 56.095 0.078 A 3 LYS CB C 13 33.225 0.202 A 3 LYS CD C 13 29.404 0.000 A 3 LYS CG C 13 24.377 0.000 A 3 LYS N N 15 122.412 0.126 A 4 THR H H 1 8.910 0.019 A 4 THR HA H 1 4.712 0.007 A 4 THR HB H 1 4.177 0.006 A 4 THR HG2% H 1 1.172 0.010 A 4 THR CA C 13 60.400 0.104 A 4 THR CB C 13 71.286 0.034 A 4 THR CG2 C 13 21.825 0.000 A 4 THR N N 15 117.267 0.030 A 5 ILE H H 1 8.763 0.005 A 5 ILE HA H 1 3.759 0.009 A 5 ILE HB H 1 1.352 0.019 A 5 ILE HG21 H 1 0.052 0.004 A 5 ILE HG22 H 1 0.052 0.004 A 5 ILE HG23 H 1 0.052 0.004 A 5 ILE CA C 13 62.707 0.076 A 5 ILE CB C 13 39.064 0.144 A 5 ILE CD1 C 13 14.168 0.000 A 5 ILE CG1 C 13 28.882 0.000 A 5 ILE CG2 C 13 16.147 0.000 A 5 ILE N N 15 124.469 0.031 A 6 LEU H H 1 9.308 0.007 A 6 LEU HA H 1 4.356 0.008 A 6 LEU HBx H 1 1.429 0.012 A 6 LEU HBy H 1 1.429 0.012 A 6 LEU HDx% H 1 0.787 0.015 A 6 LEU HDy% H 1 0.787 0.015 A 6 LEU CA C 13 55.221 0.079 A 6 LEU CB C 13 42.775 0.087 A 6 LEU CDx C 13 22.707 0.000 A 6 LEU CDy C 13 22.707 0.000 A 6 LEU CG C 13 26.350 0.000 A 6 LEU N N 15 127.416 0.081 A 7 GLY H H 1 7.136 0.007 A 7 GLY HAy H 1 4.115 0.007 A 7 GLY HAx H 1 3.831 0.013 A 7 GLY CA C 13 44.877 0.251 A 7 GLY N N 15 105.743 0.024 A 8 ILE H H 1 8.321 0.006 A 8 ILE HA H 1 5.444 0.004 A 8 ILE HB H 1 0.388 0.011 A 8 ILE HG21 H 1 1.211 0.014 A 8 ILE HG22 H 1 1.211 0.014 A 8 ILE HG23 H 1 1.211 0.014 A 8 ILE CA C 13 59.305 0.140 A 8 ILE CB C 13 42.148 0.008 A 8 ILE CD1 C 13 15.062 0.000 A 8 ILE CG2 C 13 18.777 0.000 A 8 ILE N N 15 113.109 0.035 A 9 GLU H H 1 8.490 0.007 A 9 GLU HA H 1 4.767 0.006 A 9 GLU HBx H 1 1.927 0.012 A 9 GLU HBy H 1 1.927 0.012 A 9 GLU HGx H 1 2.158 0.019 A 9 GLU HGy H 1 2.158 0.019 A 9 GLU CA C 13 54.474 0.122 A 9 GLU CB C 13 33.785 0.014 A 9 GLU CG C 13 35.817 0.081 A 9 GLU N N 15 119.502 0.037 A 10 VAL H H 1 9.321 0.004 A 10 VAL HA H 1 3.969 0.007 A 10 VAL HB H 1 2.171 0.005 A 10 VAL HGx% H 1 0.986 0.015 A 10 VAL HGy% H 1 0.986 0.015 A 10 VAL CA C 13 65.188 0.142 A 10 VAL CB C 13 31.372 0.151 A 10 VAL CGx C 13 23.105 0.000 A 10 VAL N N 15 125.392 0.075 A 11 SER H H 1 8.998 0.008 A 11 SER HA H 1 4.592 0.004 A 11 SER HBy H 1 3.814 0.002 A 11 SER HBx H 1 3.523 0.005 A 11 SER CA C 13 58.350 0.179 A 11 SER CB C 13 64.580 0.259 A 11 SER N N 15 125.798 0.092 A 12 GLN H H 1 7.751 0.008 A 12 GLN HA H 1 4.359 0.005 A 12 GLN HBx H 1 1.806 0.022 A 12 GLN HBy H 1 1.806 0.022 A 12 GLN HGy H 1 2.285 0.002 A 12 GLN HGx H 1 2.104 0.013 A 12 GLN CA C 13 55.787 0.260 A 12 GLN CB C 13 31.617 0.068 A 12 GLN CG C 13 34.324 0.000 A 12 GLN N N 15 123.552 0.027 A 13 GLU H H 1 8.804 0.006 A 13 GLU CB C 13 28.890 0.000 A 13 GLU N N 15 126.494 0.114 A 14 PRO HA H 1 4.109 0.005 A 14 PRO HBx H 1 1.196 0.010 A 14 PRO HBy H 1 1.196 0.010 A 14 PRO HDx H 1 2.180 0.010 A 14 PRO HDy H 1 2.180 0.010 A 14 PRO HGx H 1 1.475 0.000 A 14 PRO HGy H 1 1.475 0.000 A 14 PRO CA C 13 60.956 0.112 A 14 PRO CB C 13 32.958 0.183 A 14 PRO CG C 13 26.129 0.000 A 15 LYS H H 1 7.875 0.006 A 15 LYS HA H 1 3.874 0.004 A 15 LYS HBy H 1 2.061 0.012 A 15 LYS HBx H 1 1.741 0.016 A 15 LYS HGx H 1 0.602 0.015 A 15 LYS HGy H 1 0.602 0.015 A 15 LYS CA C 13 58.765 0.047 A 15 LYS CB C 13 32.411 0.153 A 15 LYS CG C 13 25.340 0.000 A 15 LYS N N 15 120.326 0.061 A 16 LYS H H 1 8.493 0.006 A 16 LYS HA H 1 4.849 0.015 A 16 LYS HBx H 1 1.985 0.019 A 16 LYS HBy H 1 1.985 0.019 A 16 LYS HDx H 1 1.727 0.000 A 16 LYS HDy H 1 1.727 0.000 A 16 LYS HEx H 1 3.003 0.018 A 16 LYS HEy H 1 3.003 0.018 A 16 LYS HGx H 1 1.599 0.010 A 16 LYS HGy H 1 1.599 0.010 A 16 LYS CA C 13 56.392 0.081 A 16 LYS CB C 13 34.892 0.142 A 16 LYS CD C 13 29.746 0.000 A 16 LYS CE C 13 42.369 0.000 A 16 LYS CG C 13 24.075 0.000 A 16 LYS N N 15 124.935 0.047 A 17 ASP H H 1 7.211 0.006 A 17 ASP HA H 1 5.212 0.008 A 17 ASP HBx H 1 2.340 0.026 A 17 ASP CA C 13 53.570 0.000 A 17 ASP CB C 13 42.435 0.053 A 17 ASP N N 15 119.940 0.029 A 18 TYR H H 1 8.796 0.006 A 18 TYR HA H 1 4.618 0.011 A 18 TYR HBy H 1 3.341 0.012 A 18 TYR HBx H 1 2.670 0.015 A 18 TYR CA C 13 58.053 0.057 A 18 TYR CB C 13 43.339 0.169 A 18 TYR N N 15 121.043 0.169 A 19 LEU H H 1 9.153 0.006 A 19 LEU HA H 1 5.247 0.016 A 19 LEU HBy H 1 1.776 0.034 A 19 LEU HBx H 1 1.271 0.008 A 19 LEU HDx% H 1 0.905 0.012 A 19 LEU HDy% H 1 0.792 0.011 A 19 LEU CA C 13 52.699 0.116 A 19 LEU CB C 13 44.091 0.066 A 19 LEU CDx C 13 25.802 0.000 A 19 LEU CG C 13 27.558 0.000 A 19 LEU N N 15 124.290 0.068 A 20 VAL H H 1 7.625 0.008 A 20 VAL HA H 1 3.641 0.019 A 20 VAL HB H 1 1.711 0.009 A 20 VAL HGx% H 1 0.836 0.013 A 20 VAL HGy% H 1 0.836 0.013 A 20 VAL CA C 13 63.874 0.147 A 20 VAL CB C 13 32.187 0.221 A 20 VAL CGx C 13 21.280 0.000 A 20 VAL CGy C 13 23.570 0.000 A 20 VAL N N 15 119.067 0.026 A 21 GLY H H 1 8.905 0.006 A 21 GLY HAy H 1 4.327 0.005 A 21 GLY HAx H 1 3.295 0.009 A 21 GLY CA C 13 44.467 0.055 A 21 GLY N N 15 115.330 0.051 A 22 ASP H H 1 8.814 0.005 A 22 ASP HA H 1 4.609 0.011 A 22 ASP HBy H 1 3.183 0.007 A 22 ASP HBx H 1 2.973 0.008 A 22 ASP CA C 13 55.337 0.063 A 22 ASP CB C 13 41.916 0.095 A 22 ASP N N 15 124.099 0.031 A 23 SER H H 1 8.578 0.009 A 23 SER HA H 1 4.592 0.006 A 23 SER HBy H 1 3.910 0.017 A 23 SER HBx H 1 3.787 0.005 A 23 SER CA C 13 57.629 0.052 A 23 SER CB C 13 63.960 0.167 A 23 SER N N 15 116.410 0.030 A 24 LEU H H 1 8.228 0.004 A 24 LEU HA H 1 4.255 0.009 A 24 LEU HBx H 1 1.573 0.027 A 24 LEU HBy H 1 1.573 0.027 A 24 LEU HDx% H 1 0.841 0.014 A 24 LEU HDy% H 1 0.841 0.014 A 24 LEU HG H 1 1.033 0.011 A 24 LEU CA C 13 55.291 0.069 A 24 LEU CB C 13 42.211 0.090 A 24 LEU CDy C 13 26.149 0.000 A 24 LEU CDx C 13 24.707 0.000 A 24 LEU CG C 13 27.582 0.000 A 24 LEU N N 15 121.276 0.029 A 25 ASP H H 1 8.441 0.011 A 25 ASP HA H 1 4.577 0.008 A 25 ASP HBx H 1 2.729 0.016 A 25 ASP HBy H 1 2.729 0.016 A 25 ASP CA C 13 53.549 0.111 A 25 ASP CB C 13 38.818 0.078 A 25 ASP N N 15 119.231 0.060 A 26 LEU H H 1 8.324 0.005 A 26 LEU HA H 1 4.350 0.005 A 26 LEU HBy H 1 1.764 0.013 A 26 LEU HBx H 1 1.611 0.014 A 26 LEU HDx% H 1 1.008 0.017 A 26 LEU HDy% H 1 0.900 0.009 A 26 LEU HG H 1 0.584 0.022 A 26 LEU CA C 13 53.656 0.142 A 26 LEU CB C 13 41.115 0.201 A 26 LEU CDx C 13 23.163 0.000 A 26 LEU CDy C 13 23.163 0.000 A 26 LEU CG C 13 26.592 0.000 A 26 LEU N N 15 121.168 0.046 A 27 SER H H 1 8.257 0.005 A 27 SER HA H 1 3.929 0.020 A 27 SER CB C 13 62.930 0.000 A 27 SER N N 15 116.003 0.041 A 28 GLU H H 1 8.298 0.005 A 28 GLU HA H 1 4.278 0.004 A 28 GLU HBy H 1 2.058 0.022 A 28 GLU HBx H 1 1.633 0.016 A 28 GLU HGx H 1 2.128 0.010 A 28 GLU HGy H 1 2.128 0.010 A 28 GLU CA C 13 55.780 0.079 A 28 GLU CB C 13 30.549 0.126 A 28 GLU CG C 13 36.415 0.000 A 28 GLU N N 15 120.215 0.095 A 29 GLY H H 1 7.658 0.005 A 29 GLY HAy H 1 3.267 0.012 A 29 GLY HAx H 1 1.743 0.011 A 29 GLY CA C 13 44.378 0.130 A 29 GLY N N 15 105.496 0.029 A 30 ARG H H 1 9.187 0.007 A 30 ARG HA H 1 5.314 0.012 A 30 ARG HBx H 1 1.603 0.016 A 30 ARG HBy H 1 1.603 0.016 A 30 ARG HDy H 1 3.091 0.014 A 30 ARG HDx H 1 2.794 0.020 A 30 ARG HGx H 1 1.348 0.018 A 30 ARG HGy H 1 1.348 0.018 A 30 ARG CA C 13 54.363 0.064 A 30 ARG CB C 13 34.338 0.269 A 30 ARG CD C 13 43.040 0.000 A 30 ARG CG C 13 27.014 0.000 A 30 ARG N N 15 126.357 0.040 A 31 PHE H H 1 9.074 0.008 A 31 PHE HA H 1 5.475 0.007 A 31 PHE HBy H 1 2.900 0.010 A 31 PHE HBx H 1 2.596 0.010 A 31 PHE CA C 13 55.395 0.122 A 31 PHE CB C 13 41.670 0.092 A 31 PHE N N 15 119.500 0.026 A 32 ALA H H 1 9.476 0.007 A 32 ALA HA H 1 5.001 0.012 A 32 ALA HB% H 1 1.245 0.007 A 32 ALA CA C 13 50.076 0.080 A 32 ALA CB C 13 21.889 0.256 A 32 ALA N N 15 123.554 0.039 A 33 VAL H H 1 9.010 0.004 A 33 VAL HA H 1 4.282 0.006 A 33 VAL HB H 1 1.997 0.017 A 33 VAL HGx% H 1 0.893 0.012 A 33 VAL HGy% H 1 0.381 0.006 A 33 VAL CA C 13 61.007 0.119 A 33 VAL CB C 13 33.214 0.250 A 33 VAL CGx C 13 22.639 0.000 A 33 VAL N N 15 123.669 0.035 A 34 ALA H H 1 8.260 0.007 A 34 ALA HA H 1 4.900 0.009 A 34 ALA HB% H 1 1.282 0.014 A 34 ALA CA C 13 50.789 0.109 A 34 ALA CB C 13 20.298 0.267 A 34 ALA N N 15 129.295 0.021 A 35 TYR H H 1 8.775 0.004 A 35 TYR HA H 1 5.424 0.009 A 35 TYR HBy H 1 3.111 0.013 A 35 TYR HBx H 1 2.860 0.009 A 35 TYR CA C 13 57.622 0.056 A 35 TYR CB C 13 42.266 0.098 A 35 TYR N N 15 120.004 0.077 A 36 SER H H 1 9.393 0.005 A 36 SER HA H 1 4.191 0.011 A 36 SER HBx H 1 3.845 0.016 A 36 SER HBy H 1 3.845 0.016 A 36 SER CA C 13 60.453 0.067 A 36 SER CB C 13 62.995 0.034 A 36 SER N N 15 115.138 0.032 A 37 ASN H H 1 7.731 0.004 A 37 ASN HA H 1 4.873 0.009 A 37 ASN HBy H 1 3.189 0.012 A 37 ASN HBx H 1 2.604 0.006 A 37 ASN CA C 13 51.967 0.250 A 37 ASN CB C 13 37.153 0.081 A 37 ASN N N 15 121.102 0.065 A 38 ASP H H 1 8.043 0.004 A 38 ASP HA H 1 4.494 0.017 A 38 ASP HBy H 1 3.001 0.007 A 38 ASP HBx H 1 2.721 0.012 A 38 ASP CA C 13 55.746 0.070 A 38 ASP CB C 13 38.813 0.028 A 38 ASP N N 15 113.921 0.040 A 39 THR H H 1 6.964 0.009 A 39 THR HA H 1 4.707 0.007 A 39 THR HB H 1 4.180 0.003 A 39 THR HG2% H 1 1.053 0.010 A 39 THR CA C 13 60.356 0.099 A 39 THR CB C 13 73.277 0.128 A 39 THR CG2 C 13 21.740 0.000 A 39 THR N N 15 105.317 0.027 A 40 MET H H 1 8.561 0.007 A 40 MET HA H 1 5.750 0.011 A 40 MET HBy H 1 2.014 0.083 A 40 MET HBx H 1 1.933 0.004 A 40 MET HGx H 1 2.439 0.013 A 40 MET HGy H 1 2.439 0.013 A 40 MET CA C 13 53.909 0.098 A 40 MET CB C 13 35.892 0.126 A 40 MET CG C 13 31.728 0.000 A 40 MET N N 15 119.201 0.040 A 41 GLU H H 1 8.789 0.008 A 41 GLU HA H 1 4.639 0.006 A 41 GLU HBx H 1 2.033 0.013 A 41 GLU HBy H 1 2.033 0.013 A 41 GLU HGx H 1 2.170 0.015 A 41 GLU HGy H 1 2.170 0.015 A 41 GLU CA C 13 54.744 0.110 A 41 GLU CB C 13 34.662 0.018 A 41 GLU CG C 13 36.361 0.139 A 41 GLU N N 15 121.387 0.083 A 42 GLU H H 1 8.782 0.004 A 42 GLU HA H 1 4.823 0.016 A 42 GLU HBx H 1 1.728 0.019 A 42 GLU HBy H 1 1.728 0.019 A 42 GLU HGx H 1 1.967 0.005 A 42 GLU HGy H 1 1.967 0.005 A 42 GLU CA C 13 55.646 0.062 A 42 GLU CB C 13 31.892 0.091 A 42 GLU CG C 13 37.950 0.000 A 42 GLU N N 15 125.928 0.045 A 43 HIS H H 1 8.908 0.010 A 43 HIS HA H 1 4.402 0.008 A 43 HIS HBy H 1 2.573 0.014 A 43 HIS HBx H 1 0.655 0.014 A 43 HIS CA C 13 54.297 0.152 A 43 HIS CB C 13 33.370 0.213 A 43 HIS N N 15 121.991 0.023 A 44 SER H H 1 8.011 0.004 A 44 SER HA H 1 5.092 0.009 A 44 SER HBx H 1 3.950 0.021 A 44 SER HBy H 1 3.950 0.021 A 44 SER CA C 13 57.312 0.192 A 44 SER CB C 13 63.984 0.015 A 44 SER N N 15 115.014 0.040 A 45 PHE H H 1 8.528 0.009 A 45 PHE HA H 1 4.426 0.009 A 45 PHE HBy H 1 3.625 0.012 A 45 PHE HBx H 1 3.203 0.011 A 45 PHE CA C 13 58.951 0.035 A 45 PHE CB C 13 38.791 0.116 A 45 PHE N N 15 124.570 0.075 A 46 THR H H 1 7.801 0.007 A 46 THR HA H 1 4.385 0.006 A 46 THR HB H 1 4.622 0.013 A 46 THR HG2% H 1 1.031 0.019 A 46 THR CA C 13 60.783 0.134 A 46 THR CB C 13 68.682 0.048 A 46 THR CG2 C 13 21.941 0.000 A 46 THR N N 15 103.526 0.024 A 47 ASP H H 1 7.218 0.006 A 47 ASP HA H 1 4.562 0.012 A 47 ASP HBy H 1 3.029 0.014 A 47 ASP HBx H 1 2.867 0.007 A 47 ASP CA C 13 54.888 0.096 A 47 ASP CB C 13 41.133 0.091 A 47 ASP N N 15 123.380 0.088 A 48 GLU H H 1 8.717 0.068 A 48 GLU HA H 1 4.133 0.004 A 48 GLU HBy H 1 2.332 0.009 A 48 GLU HBx H 1 2.036 0.004 A 48 GLU CA C 13 57.931 0.095 A 48 GLU CB C 13 29.656 0.153 A 48 GLU CG C 13 36.023 0.000 A 48 GLU N N 15 121.226 0.093 A 49 GLY H H 1 9.033 0.005 A 49 GLY HAy H 1 4.370 0.004 A 49 GLY HAx H 1 3.744 0.003 A 49 GLY CA C 13 44.945 0.210 A 49 GLY N N 15 112.660 0.029 A 50 VAL H H 1 7.655 0.007 A 50 VAL HA H 1 4.582 0.009 A 50 VAL HB H 1 2.147 0.007 A 50 VAL HGy% H 1 0.871 0.083 A 50 VAL CA C 13 62.821 0.116 A 50 VAL CB C 13 32.034 0.185 A 50 VAL CGx C 13 23.298 0.000 A 50 VAL N N 15 121.672 0.033 A 51 GLU H H 1 8.505 0.009 A 51 GLU HA H 1 4.819 0.012 A 51 GLU HBy H 1 1.927 0.014 A 51 GLU HBx H 1 1.775 0.004 A 51 GLU HGy H 1 2.327 0.011 A 51 GLU HGx H 1 2.077 0.020 A 51 GLU CA C 13 54.887 0.102 A 51 GLU CB C 13 33.371 0.031 A 51 GLU CG C 13 36.216 0.039 A 51 GLU N N 15 127.946 0.040 A 52 ILE H H 1 9.001 0.005 A 52 ILE HA H 1 5.297 0.012 A 52 ILE HB H 1 1.906 0.007 A 52 ILE HD11 H 1 0.781 0.018 A 52 ILE HD12 H 1 0.781 0.018 A 52 ILE HD13 H 1 0.781 0.018 A 52 ILE HG21 H 1 1.408 0.008 A 52 ILE HG22 H 1 1.408 0.008 A 52 ILE HG23 H 1 1.408 0.008 A 52 ILE CA C 13 58.578 0.061 A 52 ILE CB C 13 38.247 0.215 A 52 ILE CD1 C 13 13.148 0.000 A 52 ILE CG1 C 13 28.860 0.000 A 52 ILE CG2 C 13 18.835 0.000 A 52 ILE N N 15 126.322 0.072 A 53 SER H H 1 9.624 0.006 A 53 SER HA H 1 4.991 0.004 A 53 SER HBy H 1 4.065 0.008 A 53 SER HBx H 1 3.759 0.006 A 53 SER CA C 13 56.927 0.054 A 53 SER CB C 13 66.893 0.047 A 53 SER N N 15 123.595 0.046 A 54 GLY H H 1 8.585 0.004 A 54 GLY HAy H 1 4.409 0.009 A 54 GLY HAx H 1 3.617 0.006 A 54 GLY CA C 13 45.100 0.185 A 54 GLY N N 15 105.464 0.023 A 55 TYR H H 1 7.968 0.004 A 55 TYR HA H 1 4.634 0.005 A 55 TYR HBx H 1 2.733 0.015 A 55 TYR HBy H 1 2.733 0.015 A 55 TYR CA C 13 57.249 0.052 A 55 TYR CB C 13 39.300 0.137 A 55 TYR N N 15 120.601 0.026 A 56 ASP H H 1 9.093 0.004 A 56 ASP HA H 1 4.335 0.016 A 56 ASP HBy H 1 2.594 0.010 A 56 ASP HBx H 1 2.197 0.006 A 56 ASP CA C 13 51.930 0.165 A 56 ASP CB C 13 42.104 0.063 A 56 ASP N N 15 130.756 0.021 A 57 ALA H H 1 8.224 0.005 A 57 ALA HA H 1 3.607 0.006 A 57 ALA HB% H 1 1.231 0.011 A 57 ALA CA C 13 53.247 0.080 A 57 ALA CB C 13 18.894 0.307 A 57 ALA N N 15 127.595 0.362 A 58 GLN H H 1 7.930 0.006 A 58 GLN HA H 1 4.218 0.005 A 58 GLN HBy H 1 2.224 0.002 A 58 GLN HBx H 1 1.778 0.016 A 58 GLN HGy H 1 2.305 0.012 A 58 GLN HGx H 1 2.160 0.012 A 58 GLN CA C 13 54.232 0.034 A 58 GLN CB C 13 28.541 0.201 A 58 GLN CG C 13 33.928 0.000 A 58 GLN N N 15 110.353 0.025 A 59 LYS H H 1 7.233 0.009 A 59 LYS HA H 1 4.368 0.006 A 59 LYS HBy H 1 1.679 0.014 A 59 LYS HBx H 1 1.373 0.013 A 59 LYS HDx H 1 1.551 0.003 A 59 LYS HDy H 1 1.551 0.003 A 59 LYS HEx H 1 2.891 0.005 A 59 LYS HEy H 1 2.891 0.005 A 59 LYS HGy H 1 1.308 0.016 A 59 LYS HGx H 1 1.239 0.005 A 59 LYS CA C 13 54.732 0.029 A 59 LYS CB C 13 33.957 0.045 A 59 LYS N N 15 123.829 0.052 A 60 THR H H 1 7.771 0.003 A 60 THR HA H 1 4.001 0.008 A 60 THR HB H 1 4.208 0.005 A 60 THR HG2% H 1 0.997 0.009 A 60 THR CA C 13 61.257 0.063 A 60 THR CB C 13 70.454 0.064 A 60 THR CG2 C 13 22.429 0.000 A 60 THR N N 15 112.254 0.021 A 61 GLY H H 1 9.401 0.006 A 61 GLY HAx H 1 3.732 0.018 A 61 GLY HAy H 1 3.732 0.018 A 61 GLY CA C 13 43.658 0.141 A 61 GLY N N 15 109.109 0.017 A 62 ARG H H 1 8.486 0.008 A 62 ARG HA H 1 4.885 0.009 A 62 ARG HBx H 1 1.705 0.008 A 62 ARG HBy H 1 1.705 0.008 A 62 ARG HDx H 1 3.132 0.017 A 62 ARG HDy H 1 3.132 0.017 A 62 ARG HGy H 1 1.539 0.003 A 62 ARG HGx H 1 1.388 0.011 A 62 ARG CA C 13 55.919 0.067 A 62 ARG CB C 13 30.711 0.000 A 62 ARG CD C 13 43.063 0.000 A 62 ARG CG C 13 27.608 0.000 A 62 ARG N N 15 121.246 0.034 A 63 GLN H H 1 9.242 0.007 A 63 GLN HA H 1 4.599 0.000 A 63 GLN HBy H 1 2.066 0.011 A 63 GLN HBx H 1 1.531 0.012 A 63 GLN CA C 13 55.406 0.000 A 63 GLN CB C 13 31.825 0.243 A 63 GLN CG C 13 34.227 0.000 A 63 GLN N N 15 127.355 0.030 A 64 THR H H 1 8.669 0.005 A 64 THR HA H 1 4.747 0.009 A 64 THR HB H 1 3.740 0.010 A 64 THR HG2% H 1 1.065 0.015 A 64 THR CA C 13 62.257 0.056 A 64 THR CB C 13 69.384 0.077 A 64 THR CG2 C 13 22.666 0.000 A 64 THR N N 15 120.262 0.064 A 65 LEU H H 1 9.531 0.010 A 65 LEU HA H 1 4.624 0.010 A 65 LEU HBy H 1 0.851 0.012 A 65 LEU HBx H 1 0.436 0.007 A 65 LEU HG H 1 0.523 0.011 A 65 LEU CA C 13 52.864 0.057 A 65 LEU CB C 13 41.356 0.069 A 65 LEU N N 15 103.173 0.033 A 66 THR H H 1 8.387 0.004 A 66 THR HA H 1 4.582 0.012 A 66 THR HB H 1 3.564 0.010 A 66 THR HG21 H 1 0.376 0.006 A 66 THR HG22 H 1 0.376 0.006 A 66 THR HG23 H 1 0.376 0.006 A 66 THR CA C 13 61.901 0.120 A 66 THR CB C 13 71.071 0.068 A 66 THR CG2 C 13 21.450 0.000 A 66 THR N N 15 113.554 0.034 A 67 LEU H H 1 9.191 0.008 A 67 LEU HA H 1 5.493 0.000 A 67 LEU HBy H 1 1.378 0.018 A 67 LEU HBx H 1 0.889 0.008 A 67 LEU HG H 1 0.831 0.011 A 67 LEU CA C 13 54.817 0.102 A 67 LEU CB C 13 42.984 0.000 A 67 LEU CG C 13 26.432 0.000 A 67 LEU N N 15 131.077 0.033 A 68 HIS H H 1 9.164 0.009 A 68 HIS HA H 1 5.185 0.015 A 68 HIS HBx H 1 3.141 0.014 A 68 HIS HBy H 1 3.141 0.014 A 68 HIS CA C 13 53.601 0.073 A 68 HIS CB C 13 30.628 0.230 A 68 HIS N N 15 123.965 0.066 A 69 TYR H H 1 8.681 0.007 A 69 TYR HA H 1 4.516 0.008 A 69 TYR HBy H 1 2.468 0.016 A 69 TYR HBx H 1 2.282 0.005 A 69 TYR CA C 13 58.797 0.065 A 69 TYR CB C 13 41.373 0.056 A 69 TYR N N 15 122.897 0.032 A 70 GLN H H 1 9.220 0.004 A 70 GLN HA H 1 3.530 0.007 A 70 GLN HBy H 1 2.092 0.013 A 70 GLN HBx H 1 1.427 0.000 A 70 GLN HGy H 1 1.387 0.009 A 70 GLN HGx H 1 1.226 0.012 A 70 GLN CA C 13 56.551 0.033 A 70 GLN CB C 13 26.259 0.199 A 70 GLN CG C 13 33.260 0.083 A 70 GLN N N 15 125.281 0.055 A 71 GLY H H 1 8.788 0.007 A 71 GLY HAy H 1 4.030 0.014 A 71 GLY HAx H 1 3.493 0.005 A 71 GLY CA C 13 45.478 0.165 A 71 GLY N N 15 103.587 0.020 A 72 HIS H H 1 8.262 0.005 A 72 HIS HA H 1 4.593 0.003 A 72 HIS HBx H 1 3.077 0.006 A 72 HIS HBy H 1 3.077 0.006 A 72 HIS CA C 13 55.428 0.051 A 72 HIS CB C 13 32.707 0.191 A 72 HIS N N 15 121.081 0.040 A 73 GLU H H 1 8.667 0.005 A 73 GLU HA H 1 5.666 0.009 A 73 GLU HGx H 1 1.835 0.009 A 73 GLU HGy H 1 1.835 0.009 A 73 GLU CA C 13 54.636 0.000 A 73 GLU CB C 13 33.790 0.106 A 73 GLU N N 15 118.675 0.035 A 74 VAL H H 1 8.423 0.007 A 74 VAL HA H 1 4.463 0.006 A 74 VAL HB H 1 0.851 0.005 A 74 VAL CA C 13 61.108 0.000 A 74 VAL CB C 13 34.148 0.164 A 74 VAL N N 15 118.850 0.035 A 75 SER H H 1 8.459 0.006 A 75 SER HA H 1 5.780 0.008 A 75 SER HBy H 1 3.748 0.016 A 75 SER HBx H 1 3.623 0.011 A 75 SER CA C 13 57.732 0.074 A 75 SER CB C 13 66.037 0.315 A 75 SER N N 15 122.027 0.089 A 76 PHE H H 1 8.724 0.007 A 76 PHE HA H 1 4.863 0.011 A 76 PHE HBx H 1 3.185 0.015 A 76 PHE HBy H 1 3.185 0.015 A 76 PHE CA C 13 56.673 0.190 A 76 PHE CB C 13 40.279 0.171 A 76 PHE N N 15 118.193 0.037 A 77 ASP H H 1 8.673 0.004 A 77 ASP HA H 1 5.806 0.006 A 77 ASP HBx H 1 2.525 0.019 A 77 ASP HBy H 1 2.525 0.019 A 77 ASP CA C 13 53.073 0.085 A 77 ASP CB C 13 42.741 0.111 A 77 ASP N N 15 120.491 0.033 A 78 VAL H H 1 8.826 0.007 A 78 VAL HA H 1 5.047 0.012 A 78 VAL HB H 1 2.439 0.007 A 78 VAL HGx% H 1 1.094 0.020 A 78 VAL HGy% H 1 0.778 0.014 A 78 VAL CA C 13 59.053 0.088 A 78 VAL CB C 13 35.283 0.137 A 78 VAL CGx C 13 22.519 0.000 A 78 VAL N N 15 110.657 0.035 A 79 LEU H H 1 9.069 0.009 A 79 LEU HA H 1 4.949 0.031 A 79 LEU HBx H 1 1.527 0.011 A 79 LEU HBy H 1 1.527 0.011 A 79 LEU HDx% H 1 0.817 0.012 A 79 LEU HDy% H 1 0.817 0.012 A 79 LEU CA C 13 54.177 0.118 A 79 LEU CB C 13 45.105 0.208 A 79 LEU CG C 13 28.480 0.000 A 79 LEU N N 15 122.939 0.039 A 80 VAL H H 1 8.348 0.009 A 80 VAL HA H 1 4.715 0.008 A 80 VAL HB H 1 2.414 0.011 A 80 VAL HGx% H 1 1.038 0.011 A 80 VAL HGy% H 1 0.595 0.015 A 80 VAL CA C 13 61.147 0.113 A 80 VAL CB C 13 32.895 0.000 A 80 VAL CGx C 13 22.288 0.000 A 80 VAL N N 15 126.472 0.062 A 81 SER H H 1 9.304 0.007 A 81 SER CA C 13 56.939 0.000 A 81 SER CB C 13 63.402 0.000 A 81 SER N N 15 126.279 0.054 A 82 PRO HA H 1 4.505 0.002 A 82 PRO HBy H 1 2.265 0.013 A 82 PRO HBx H 1 1.901 0.010 A 82 PRO CA C 13 62.559 0.128 A 82 PRO CB C 13 32.346 0.116 A 82 PRO CG C 13 27.617 0.000 A 83 LYS H H 1 8.351 0.004 A 83 LYS HA H 1 4.201 0.007 A 83 LYS HBy H 1 1.802 0.013 A 83 LYS HBx H 1 1.682 0.017 A 83 LYS HEx H 1 2.970 0.008 A 83 LYS HEy H 1 2.970 0.008 A 83 LYS HGx H 1 1.442 0.005 A 83 LYS HGy H 1 1.442 0.005 A 83 LYS CA C 13 56.594 0.062 A 83 LYS CB C 13 33.495 0.234 A 83 LYS CD C 13 29.818 0.000 A 83 LYS CE C 13 42.256 0.000 A 83 LYS CG C 13 25.590 0.000 A 83 LYS N N 15 120.496 0.109 A 84 ALA H H 1 8.330 0.005 A 84 ALA HA H 1 4.242 0.002 A 84 ALA HB% H 1 1.327 0.003 A 84 ALA CA C 13 52.163 0.110 A 84 ALA CB C 13 19.155 0.037 A 84 ALA N N 15 126.301 0.041 A 85 ALA H H 1 8.302 0.004 A 85 ALA HA H 1 4.234 0.001 A 85 ALA HB% H 1 1.324 0.002 A 85 ALA CA C 13 52.147 0.014 A 85 ALA CB C 13 19.355 0.434 A 85 ALA N N 15 121.954 0.050 A 86 LEU H H 1 8.371 0.004 A 86 LEU N N 15 124.450 0.010 A 87 ASN HA H 1 4.871 0.005 A 87 ASN HBy H 1 3.049 0.004 A 87 ASN HBx H 1 2.675 0.005 A 87 ASN CA C 13 53.032 0.249 A 87 ASN CB C 13 41.153 0.172 A 88 ASP H H 1 9.015 0.004 A 88 ASP HA H 1 4.509 0.005 A 88 ASP HBx H 1 2.622 0.005 A 88 ASP HBy H 1 2.622 0.005 A 88 ASP CA C 13 54.734 0.063 A 88 ASP CB C 13 41.045 0.054 A 88 ASP N N 15 123.652 0.036 A 89 GLU H H 1 8.366 0.094 A 89 GLU HA H 1 4.139 0.004 A 89 GLU HBy H 1 2.214 0.000 A 89 GLU HBx H 1 1.975 0.001 A 89 GLU HGx H 1 2.576 0.000 A 89 GLU HGy H 1 2.576 0.000 A 89 GLU CA C 13 57.207 0.091 A 89 GLU CB C 13 30.142 0.549 A 89 GLU CG C 13 36.432 0.000 A 89 GLU N N 15 120.886 0.134 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 3 LYS H A 2 PRO HA 1.0 1.8 3.0 2 2 A 3 LYS HA A 2 PRO HBy 1.0 1.8 4.5 3 2 A 3 LYS HA A 2 PRO HBx 1.0 1.8 4.5 4 3 A 3 LYS HA A 4 THR HA 1.0 1.8 5.5 5 4 A 3 LYS HA A 4 THR HG2% 1.0 1.8 5.5 6 5 A 3 LYS HA A 37 ASN HBy 1.0 1.8 6.5 7 6 A 3 LYS HA A 37 ASN HBx 1.0 1.8 6.5 8 7 A 4 THR H A 3 LYS HBx 1.0 1.8 5.3 9 7 A 4 THR H A 3 LYS HBy 1.0 1.8 5.3 10 8 A 3 LYS HA A 4 THR H 1.0 1.8 3.0 11 9 A 4 THR HA A 4 THR H 1.0 1.8 5.5 12 10 A 4 THR HG2% A 4 THR H 1.0 1.8 4.8 13 11 A 4 THR H A 35 TYR HA 1.0 1.8 6.0 14 12 A 4 THR H A 36 SER H 1.0 1.8 5.5 15 13 A 4 THR H A 36 SER HBx 1.0 1.8 6.5 16 13 A 4 THR H A 36 SER HBy 1.0 1.8 6.5 17 14 A 4 THR HA A 3 LYS HGy 1.0 1.8 3.8 18 14 A 4 THR HA A 3 LYS HGx 1.0 1.8 3.8 19 15 A 4 THR HA A 5 ILE HA 1.0 1.8 6.3 20 16 A 4 THR HA A 5 ILE HG21 1.0 1.8 6.3 21 17 A 4 THR HA A 33 VAL HGx% 1.0 1.8 6.5 22 18 A 4 THR HA A 33 VAL HGy% 1.0 1.8 6.5 23 19 A 4 THR HA A 5 ILE H 1.0 1.8 3.8 24 20 A 5 ILE H A 4 THR HB 1.0 1.8 4.5 25 21 A 4 THR HG2% A 5 ILE H 1.0 1.8 4.8 26 22 A 5 ILE HA A 5 ILE H 1.0 1.8 5.5 27 23 A 5 ILE H A 5 ILE HB 1.0 1.8 4.3 28 24 A 5 ILE H A 5 ILE HG1x 1.0 1.8 5.0 29 24 A 5 ILE H A 5 ILE HG1y 1.0 1.8 5.0 30 25 A 5 ILE H A 6 LEU H 1.0 1.8 6.3 31 26 A 4 THR HG2% A 5 ILE HA 1.0 1.8 6.3 32 27 A 35 TYR HA A 5 ILE HA 1.0 1.8 3.5 33 28 A 5 ILE HA A 35 TYR HBy 1.0 1.8 5.5 34 28 A 5 ILE HA A 35 TYR HBx 1.0 1.8 5.5 35 29 A 5 ILE HA A 36 SER HA 1.0 1.8 5.5 36 30 A 5 ILE HG21 A 33 VAL HGy% 1.0 1.8 5.5 37 31 A 5 ILE HG21 A 34 ALA H 1.0 1.8 5.5 38 32 A 35 TYR HA A 5 ILE HG21 1.0 1.8 5.5 39 33 A 5 ILE HG21 A 35 TYR HBy 1.0 1.8 5.5 40 33 A 5 ILE HG21 A 35 TYR HBx 1.0 1.8 5.5 41 34 A 4 THR HB A 6 LEU H 1.0 1.8 6.0 42 35 A 5 ILE HA A 6 LEU H 1.0 1.8 4.5 43 36 A 5 ILE HB A 6 LEU H 1.0 1.8 4.5 44 37 A 6 LEU H A 5 ILE HG1x 1.0 1.8 4.8 45 37 A 5 ILE HG1y A 6 LEU H 1.0 1.8 4.8 46 38 A 6 LEU H A 6 LEU HA 1.0 1.8 5.3 47 39 A 6 LEU H A 6 LEU HDx% 1.0 1.8 4.8 48 39 A 6 LEU H A 6 LEU HDy% 1.0 1.8 4.8 49 40 A 6 LEU H A 7 GLY H 1.0 1.8 4.5 50 41 A 6 LEU H A 34 ALA H 1.0 1.8 5.0 51 42 A 35 TYR HA A 6 LEU H 1.0 1.8 4.0 52 43 A 6 LEU HA A 7 GLY HAx 1.0 1.8 6.3 53 43 A 6 LEU HA A 7 GLY HAy 1.0 1.8 6.3 54 44 A 6 LEU HA A 7 GLY H 1.0 1.8 5.3 55 45 A 7 GLY H A 6 LEU HDx% 1.0 1.8 4.8 56 45 A 6 LEU HDy% A 7 GLY H 1.0 1.8 4.8 57 46 A 7 GLY H A 7 GLY HAy 1.0 1.8 4.8 58 47 A 7 GLY H A 7 GLY HAx 1.0 1.8 4.8 59 48 A 7 GLY H A 33 VAL HGy% 1.0 1.8 6.0 60 48 A 7 GLY H A 33 VAL HGx% 1.0 1.8 6.0 61 49 A 7 GLY H A 34 ALA HA 1.0 1.8 6.0 62 50 A 7 GLY H A 34 ALA HB% 1.0 1.8 4.5 63 51 A 34 ALA H A 7 GLY H 1.0 1.8 4.0 64 52 A 7 GLY H A 35 TYR H 1.0 1.8 6.5 65 53 A 35 TYR HA A 7 GLY H 1.0 1.8 5.5 66 54 A 6 LEU H A 8 ILE H 1.0 1.8 6.5 67 55 A 8 ILE H A 7 GLY HAx 1.0 1.8 3.0 68 56 A 7 GLY HAy A 8 ILE H 1.0 1.8 3.0 69 57 A 7 GLY H A 8 ILE H 1.0 1.8 5.3 70 58 A 8 ILE H A 8 ILE HD11 1.0 1.8 5.3 71 59 A 8 ILE H A 8 ILE HA 1.0 1.8 5.3 72 60 A 8 ILE H A 9 GLU HGx 1.0 1.8 6.3 73 60 A 8 ILE H A 9 GLU HGy 1.0 1.8 6.3 74 61 A 8 ILE HA A 9 GLU HA 1.0 1.8 6.3 75 62 A 8 ILE HA A 32 ALA H 1.0 1.8 6.0 76 63 A 8 ILE HA A 33 VAL HA 1.0 1.8 4.0 77 64 A 8 ILE HA A 33 VAL HB 1.0 1.8 5.0 78 65 A 8 ILE HA A 9 GLU H 1.0 1.8 3.0 79 66 A 9 GLU H A 8 ILE HD11 1.0 1.8 5.3 80 67 A 9 GLU HA A 9 GLU H 1.0 1.8 4.8 81 68 A 9 GLU H A 9 GLU HGx 1.0 1.8 4.8 82 68 A 9 GLU HGy A 9 GLU H 1.0 1.8 4.8 83 69 A 9 GLU H A 10 VAL HA 1.0 1.8 5.5 84 70 A 9 GLU H A 31 PHE HBy 1.0 1.8 5.5 85 71 A 9 GLU H A 31 PHE HBx 1.0 1.8 6.0 86 72 A 9 GLU H A 32 ALA HB% 1.0 1.8 4.5 87 73 A 32 ALA H A 9 GLU H 1.0 1.8 4.0 88 74 A 9 GLU H A 33 VAL H 1.0 1.8 5.5 89 75 A 33 VAL HA A 9 GLU H 1.0 1.8 4.0 90 76 A 9 GLU HA A 8 ILE HG21 1.0 1.8 4.8 91 77 A 8 ILE HA A 9 GLU HA 1.0 1.8 6.3 92 78 A 9 GLU HA A 9 GLU H 1.0 1.8 5.3 93 79 A 9 GLU HA A 10 VAL HGy% 1.0 1.8 6.3 94 79 A 9 GLU HA A 10 VAL HGx% 1.0 1.8 6.3 95 80 A 10 VAL H A 31 PHE HA 1.0 1.8 6.5 96 81 A 8 ILE HG21 A 10 VAL H 1.0 1.8 5.3 97 82 A 9 GLU HA A 10 VAL H 1.0 1.8 3.0 98 83 A 10 VAL H A 9 GLU HBx 1.0 1.8 4.5 99 83 A 10 VAL H A 9 GLU HBy 1.0 1.8 4.5 100 84 A 10 VAL HA A 10 VAL H 1.0 1.8 5.3 101 85 A 10 VAL H A 10 VAL HB 1.0 1.8 3.8 102 86 A 10 VAL H A 11 SER H 1.0 1.8 6.3 103 87 A 10 VAL HA A 8 ILE HG21 1.0 1.8 6.3 104 88 A 10 VAL HA A 31 PHE HBy 1.0 1.8 4.5 105 89 A 10 VAL HA A 31 PHE HBx 1.0 1.8 4.5 106 90 A 10 VAL HA A 31 PHE HA 1.0 1.8 4.0 107 91 A 10 VAL HA A 11 SER H 1.0 1.8 4.5 108 92 A 10 VAL HGx% A 11 SER H 1.0 1.8 4.5 109 92 A 11 SER H A 10 VAL HGy% 1.0 1.8 4.5 110 93 A 11 SER H A 11 SER HA 1.0 1.8 5.3 111 94 A 11 SER H A 11 SER HBy 1.0 1.8 6.3 112 94 A 11 SER H A 11 SER HBx 1.0 1.8 6.3 113 95 A 11 SER H A 12 GLN H 1.0 1.8 4.5 114 96 A 31 PHE HA A 11 SER H 1.0 1.8 4.0 115 97 A 11 SER H A 31 PHE HBy 1.0 1.8 4.5 116 98 A 11 SER H A 31 PHE HBx 1.0 1.8 4.5 117 99 A 32 ALA H A 11 SER H 1.0 1.8 4.5 118 100 A 11 SER HA A 10 VAL HGy% 1.0 1.8 6.3 119 100 A 10 VAL HGx% A 11 SER HA 1.0 1.8 6.3 120 101 A 10 VAL HA A 12 GLN H 1.0 1.8 4.5 121 102 A 10 VAL HGx% A 12 GLN H 1.0 1.8 4.5 122 102 A 12 GLN H A 10 VAL HGy% 1.0 1.8 4.5 123 103 A 12 GLN H A 11 SER HBy 1.0 1.8 6.0 124 103 A 11 SER HBx A 12 GLN H 1.0 1.8 6.0 125 104 A 11 SER HA A 12 GLN H 1.0 1.8 5.3 126 105 A 12 GLN H A 12 GLN HGy 1.0 1.8 5.3 127 105 A 12 GLN H A 12 GLN HGx 1.0 1.8 5.3 128 106 A 12 GLN H A 12 GLN HA 1.0 1.8 4.8 129 107 A 12 GLN H A 13 GLU H 1.0 1.8 5.3 130 108 A 12 GLN H A 29 GLY HAy 1.0 1.8 5.5 131 109 A 12 GLN H A 29 GLY HAx 1.0 1.8 6.5 132 110 A 12 GLN H A 30 ARG H 1.0 1.8 5.0 133 111 A 12 GLN H A 30 ARG HGx 1.0 1.8 5.5 134 111 A 12 GLN H A 30 ARG HGy 1.0 1.8 5.5 135 112 A 31 PHE HA A 12 GLN H 1.0 1.8 4.5 136 113 A 12 GLN H A 31 PHE HBy 1.0 1.8 6.0 137 113 A 12 GLN H A 31 PHE HBx 1.0 1.8 6.0 138 114 A 32 ALA H A 12 GLN H 1.0 1.8 6.0 139 115 A 12 GLN HA A 10 VAL HGy% 1.0 1.8 6.3 140 115 A 10 VAL HGx% A 12 GLN HA 1.0 1.8 6.3 141 116 A 12 GLN HA A 29 GLY HAy 1.0 1.8 4.5 142 117 A 13 GLU H A 10 VAL HGy% 1.0 1.8 6.3 143 118 A 12 GLN HA A 13 GLU H 1.0 1.8 3.0 144 119 A 13 GLU H A 12 GLN HBx 1.0 1.8 3.0 145 119 A 13 GLU H A 12 GLN HBy 1.0 1.8 3.0 146 120 A 13 GLU H A 28 GLU HBy 1.0 1.8 4.5 147 120 A 13 GLU H A 28 GLU HBx 1.0 1.8 4.5 148 121 A 13 GLU H A 29 GLY HAx 1.0 1.8 4.5 149 121 A 13 GLU H A 29 GLY HAy 1.0 1.8 4.5 150 122 A 13 GLU H A 30 ARG HDx 1.0 1.8 6.0 151 122 A 13 GLU H A 30 ARG HDy 1.0 1.8 6.0 152 123 A 14 PRO HA A 14 PRO HBx 1.0 1.8 4.8 153 123 A 14 PRO HA A 14 PRO HBy 1.0 1.8 4.8 154 124 A 14 PRO HA A 14 PRO HDx 1.0 1.8 4.8 155 124 A 14 PRO HA A 14 PRO HDy 1.0 1.8 4.8 156 125 A 14 PRO HA A 28 GLU HBy 1.0 1.8 5.0 157 125 A 28 GLU HBx A 14 PRO HA 1.0 1.8 5.0 158 126 A 14 PRO HA A 29 GLY HAx 1.0 1.8 6.0 159 126 A 29 GLY HAy A 14 PRO HA 1.0 1.8 6.0 160 127 A 14 PRO HA A 15 LYS H 1.0 1.8 4.8 161 128 A 15 LYS H A 15 LYS HA 1.0 1.8 5.5 162 129 A 15 LYS H A 15 LYS HBy 1.0 1.8 4.8 163 130 A 15 LYS H A 15 LYS HBx 1.0 1.8 4.8 164 131 A 15 LYS H A 15 LYS HGx 1.0 1.8 6.3 165 131 A 15 LYS H A 15 LYS HGy 1.0 1.8 6.3 166 132 A 15 LYS H A 16 LYS HA 1.0 1.8 6.3 167 133 A 15 LYS H A 16 LYS H 1.0 1.8 6.3 168 134 A 15 LYS H A 17 ASP H 1.0 1.8 6.5 169 135 A 15 LYS H A 26 LEU HDx% 1.0 1.8 6.5 170 135 A 15 LYS H A 26 LEU HDy% 1.0 1.8 6.5 171 136 A 15 LYS H A 29 GLY HAx 1.0 1.8 6.5 172 136 A 29 GLY HAy A 15 LYS H 1.0 1.8 6.5 173 137 A 15 LYS HA A 16 LYS HEx 1.0 1.8 6.3 174 137 A 15 LYS HA A 16 LYS HEy 1.0 1.8 6.3 175 138 A 16 LYS H A 15 LYS HGx 1.0 1.8 5.5 176 138 A 15 LYS HGy A 16 LYS H 1.0 1.8 5.5 177 139 A 15 LYS HA A 16 LYS H 1.0 1.8 3.8 178 140 A 16 LYS H A 16 LYS HBx 1.0 1.8 4.5 179 140 A 16 LYS H A 16 LYS HBy 1.0 1.8 4.5 180 141 A 16 LYS H A 16 LYS HGx 1.0 1.8 4.5 181 141 A 16 LYS H A 16 LYS HGy 1.0 1.8 4.5 182 142 A 16 LYS HA A 16 LYS H 1.0 1.8 5.3 183 143 A 16 LYS H A 17 ASP HBx 1.0 1.8 5.5 184 143 A 16 LYS H A 17 ASP HBy 1.0 1.8 5.5 185 144 A 16 LYS H A 17 ASP H 1.0 1.8 3.8 186 145 A 16 LYS HA A 15 LYS HGx 1.0 1.8 6.3 187 145 A 15 LYS HGy A 16 LYS HA 1.0 1.8 6.3 188 146 A 16 LYS HA A 78 VAL HB 1.0 1.8 5.5 189 147 A 16 LYS HA A 78 VAL HGy% 1.0 1.8 5.0 190 147 A 16 LYS HA A 78 VAL HGx% 1.0 1.8 5.0 191 148 A 78 VAL HA A 16 LYS HBx 1.0 1.8 4.0 192 148 A 16 LYS HBy A 78 VAL HA 1.0 1.8 4.0 193 149 A 16 LYS HBx A 78 VAL HGy% 1.0 1.8 4.5 194 149 A 16 LYS HBy A 78 VAL HGy% 1.0 1.8 4.5 195 149 A 78 VAL HGx% A 16 LYS HBx 1.0 1.8 4.5 196 149 A 16 LYS HBy A 78 VAL HGx% 1.0 1.8 4.5 197 150 A 16 LYS HGy A 78 VAL HGy% 1.0 1.8 6.0 198 150 A 16 LYS HGx A 78 VAL HGy% 1.0 1.8 6.0 199 150 A 78 VAL HGx% A 16 LYS HGx 1.0 1.8 6.0 200 150 A 16 LYS HGy A 78 VAL HGx% 1.0 1.8 6.0 201 151 A 78 VAL HA A 16 LYS HGx 1.0 1.8 5.5 202 151 A 16 LYS HGy A 78 VAL HA 1.0 1.8 5.5 203 152 A 78 VAL HB A 16 LYS HGx 1.0 1.8 5.5 204 152 A 16 LYS HGy A 78 VAL HB 1.0 1.8 5.5 205 153 A 15 LYS HA A 17 ASP H 1.0 1.8 5.0 206 154 A 17 ASP H A 16 LYS HEx 1.0 1.8 6.5 207 154 A 17 ASP H A 16 LYS HEy 1.0 1.8 6.5 208 155 A 17 ASP H A 16 LYS HGx 1.0 1.8 5.3 209 155 A 17 ASP H A 16 LYS HGy 1.0 1.8 5.3 210 156 A 17 ASP H A 16 LYS HBx 1.0 1.8 5.3 211 156 A 17 ASP H A 16 LYS HBy 1.0 1.8 5.3 212 157 A 16 LYS HA A 17 ASP H 1.0 1.8 5.3 213 158 A 17 ASP H A 17 ASP HBx 1.0 1.8 4.3 214 158 A 17 ASP H A 17 ASP HBy 1.0 1.8 4.3 215 159 A 17 ASP H A 17 ASP HA 1.0 1.8 5.3 216 160 A 17 ASP H A 18 TYR H 1.0 1.8 6.3 217 161 A 17 ASP H A 18 TYR HBy 1.0 1.8 6.5 218 161 A 17 ASP H A 18 TYR HBx 1.0 1.8 6.5 219 162 A 17 ASP H A 26 LEU HBy 1.0 1.8 6.0 220 163 A 17 ASP H A 26 LEU HBx 1.0 1.8 6.5 221 164 A 17 ASP H A 26 LEU HG 1.0 1.8 6.5 222 165 A 16 LYS HA A 17 ASP HA 1.0 1.8 6.3 223 166 A 17 ASP HA A 18 TYR HBy 1.0 1.8 6.3 224 166 A 17 ASP HA A 18 TYR HBx 1.0 1.8 6.3 225 167 A 17 ASP HA A 78 VAL HGy% 1.0 1.8 5.0 226 168 A 17 ASP HA A 79 LEU HBx 1.0 1.8 5.5 227 168 A 17 ASP HA A 79 LEU HBy 1.0 1.8 5.5 228 169 A 17 ASP HA A 79 LEU HDx% 1.0 1.8 6.0 229 169 A 17 ASP HA A 79 LEU HDy% 1.0 1.8 6.0 230 170 A 17 ASP HA A 79 LEU H 1.0 1.8 4.0 231 171 A 17 ASP HA A 18 TYR H 1.0 1.8 3.0 232 172 A 18 TYR H A 18 TYR HBy 1.0 1.8 5.3 233 173 A 18 TYR H A 18 TYR HBx 1.0 1.8 5.3 234 174 A 18 TYR H A 79 LEU HBx 1.0 1.8 6.5 235 174 A 18 TYR H A 79 LEU HBy 1.0 1.8 6.5 236 175 A 18 TYR H A 80 VAL HB 1.0 1.8 4.5 237 176 A 18 TYR H A 80 VAL HGy% 1.0 1.8 5.0 238 177 A 18 TYR H A 80 VAL HGx% 1.0 1.8 6.5 239 178 A 18 TYR H A 81 SER H 1.0 1.8 4.5 240 179 A 18 TYR H A 18 TYR HA 1.0 1.8 6.3 241 180 A 18 TYR HA A 19 LEU HG 1.0 1.8 6.3 242 181 A 18 TYR HA A 22 ASP HBx 1.0 1.8 5.0 243 181 A 18 TYR HA A 22 ASP HBy 1.0 1.8 5.0 244 182 A 18 TYR HBy A 80 VAL HGy% 1.0 1.8 5.5 245 183 A 18 TYR HBx A 80 VAL HGy% 1.0 1.8 5.5 246 184 A 18 TYR HA A 19 LEU H 1.0 1.8 3.8 247 185 A 19 LEU H A 18 TYR HBy 1.0 1.8 5.0 248 186 A 18 TYR HBx A 19 LEU H 1.0 1.8 5.0 249 187 A 19 LEU H A 19 LEU HA 1.0 1.8 4.8 250 188 A 19 LEU H A 19 LEU HBy 1.0 1.8 4.8 251 189 A 19 LEU H A 19 LEU HBx 1.0 1.8 4.8 252 190 A 19 LEU H A 20 VAL H 1.0 1.8 5.3 253 191 A 19 LEU H A 22 ASP H 1.0 1.8 6.3 254 192 A 18 TYR HA A 19 LEU HDx% 1.0 1.8 6.3 255 192 A 18 TYR HA A 19 LEU HDy% 1.0 1.8 6.3 256 193 A 20 VAL H A 19 LEU HDx% 1.0 1.8 6.3 257 193 A 20 VAL H A 19 LEU HDy% 1.0 1.8 6.3 258 194 A 19 LEU HDy% A 83 LYS HA 1.0 1.8 4.0 259 194 A 83 LYS HA A 19 LEU HDx% 1.0 1.8 4.0 260 195 A 19 LEU HDy% A 83 LYS HA 1.0 1.8 4.0 261 195 A 83 LYS HA A 19 LEU HDx% 1.0 1.8 4.0 262 196 A 19 LEU HDx% A 83 LYS HBx 1.0 1.8 4.5 263 196 A 19 LEU HDy% A 83 LYS HBx 1.0 1.8 4.5 264 196 A 83 LYS HBy A 19 LEU HDx% 1.0 1.8 4.5 265 196 A 19 LEU HDy% A 83 LYS HBy 1.0 1.8 4.5 266 197 A 19 LEU HDy% A 83 LYS HEx 1.0 1.8 6.0 267 197 A 19 LEU HDx% A 83 LYS HEx 1.0 1.8 6.0 268 197 A 83 LYS HEy A 19 LEU HDx% 1.0 1.8 6.0 269 197 A 19 LEU HDy% A 83 LYS HEy 1.0 1.8 6.0 270 198 A 19 LEU HA A 20 VAL H 1.0 1.8 3.3 271 199 A 20 VAL H A 19 LEU HBy 1.0 1.8 4.8 272 199 A 20 VAL H A 19 LEU HBx 1.0 1.8 4.8 273 200 A 20 VAL H A 19 LEU HDx% 1.0 1.8 4.8 274 200 A 20 VAL H A 19 LEU HDy% 1.0 1.8 4.8 275 201 A 20 VAL H A 20 VAL HA 1.0 1.8 4.5 276 202 A 20 VAL H A 21 GLY HAx 1.0 1.8 6.3 277 202 A 20 VAL H A 21 GLY HAy 1.0 1.8 6.3 278 203 A 20 VAL H A 21 GLY H 1.0 1.8 6.0 279 204 A 20 VAL H A 80 VAL HGy% 1.0 1.8 4.0 280 205 A 81 SER H A 20 VAL H 1.0 1.8 4.5 281 206 A 20 VAL H A 82 PRO HBy 1.0 1.8 6.5 282 206 A 20 VAL H A 82 PRO HBx 1.0 1.8 6.5 283 207 A 20 VAL H A 83 LYS H 1.0 1.8 4.0 284 208 A 20 VAL H A 83 LYS HA 1.0 1.8 4.0 285 209 A 20 VAL HA A 19 LEU HDx% 1.0 1.8 4.8 286 209 A 19 LEU HDy% A 20 VAL HA 1.0 1.8 4.8 287 210 A 20 VAL HA A 80 VAL HGy% 1.0 1.8 4.0 288 211 A 80 VAL HB A 20 VAL HGy% 1.0 1.8 5.5 289 211 A 80 VAL HB A 20 VAL HGx% 1.0 1.8 5.5 290 212 A 81 SER H A 20 VAL HGy% 1.0 1.8 6.0 291 212 A 81 SER H A 20 VAL HGx% 1.0 1.8 6.0 292 213 A 83 LYS H A 20 VAL HGy% 1.0 1.8 5.5 293 213 A 83 LYS H A 20 VAL HGx% 1.0 1.8 5.5 294 214 A 19 LEU HA A 21 GLY H 1.0 1.8 6.5 295 215 A 20 VAL HA A 21 GLY H 1.0 1.8 3.0 296 216 A 21 GLY H A 20 VAL HB 1.0 1.8 5.3 297 217 A 21 GLY H A 20 VAL HGy% 1.0 1.8 4.0 298 217 A 21 GLY H A 20 VAL HGx% 1.0 1.8 4.0 299 218 A 21 GLY HAy A 21 GLY H 1.0 1.8 4.3 300 219 A 21 GLY H A 21 GLY HAx 1.0 1.8 4.3 301 220 A 21 GLY H A 22 ASP HBx 1.0 1.8 5.0 302 220 A 22 ASP HBy A 21 GLY H 1.0 1.8 5.0 303 221 A 21 GLY H A 23 SER HA 1.0 1.8 5.5 304 222 A 21 GLY H A 23 SER H 1.0 1.8 4.0 305 223 A 22 ASP H A 18 TYR HBy 1.0 1.8 5.5 306 223 A 18 TYR HBx A 22 ASP H 1.0 1.8 5.5 307 224 A 19 LEU HA A 22 ASP H 1.0 1.8 6.0 308 225 A 22 ASP H A 20 VAL HB 1.0 1.8 5.0 309 226 A 22 ASP H A 20 VAL HGy% 1.0 1.8 5.5 310 227 A 22 ASP H A 20 VAL HA 1.0 1.8 4.0 311 228 A 20 VAL H A 22 ASP H 1.0 1.8 6.3 312 229 A 22 ASP H A 21 GLY HAx 1.0 1.8 4.5 313 229 A 22 ASP H A 21 GLY HAy 1.0 1.8 4.5 314 230 A 22 ASP HBy A 22 ASP H 1.0 1.8 4.0 315 231 A 22 ASP H A 22 ASP HBx 1.0 1.8 4.0 316 232 A 22 ASP H A 22 ASP HA 1.0 1.8 4.0 317 233 A 22 ASP H A 23 SER HBy 1.0 1.8 6.0 318 233 A 22 ASP H A 23 SER HBx 1.0 1.8 6.0 319 234 A 22 ASP H A 23 SER H 1.0 1.8 4.5 320 235 A 22 ASP HA A 19 LEU HDx% 1.0 1.8 6.0 321 235 A 19 LEU HDy% A 22 ASP HA 1.0 1.8 6.0 322 236 A 19 LEU HA A 22 ASP HBx 1.0 1.8 5.5 323 236 A 22 ASP HBy A 19 LEU HA 1.0 1.8 5.5 324 237 A 19 LEU HDx% A 22 ASP HBx 1.0 1.8 5.0 325 237 A 19 LEU HDy% A 22 ASP HBx 1.0 1.8 5.0 326 237 A 22 ASP HBy A 19 LEU HDx% 1.0 1.8 5.0 327 237 A 22 ASP HBy A 19 LEU HDy% 1.0 1.8 5.0 328 238 A 23 SER H A 20 VAL HGy% 1.0 1.8 6.5 329 238 A 20 VAL HGx% A 23 SER H 1.0 1.8 6.5 330 239 A 23 SER H A 22 ASP HBx 1.0 1.8 5.0 331 240 A 22 ASP HBy A 23 SER H 1.0 1.8 5.0 332 241 A 23 SER H A 22 ASP HA 1.0 1.8 3.8 333 242 A 23 SER HA A 23 SER H 1.0 1.8 5.8 334 243 A 23 SER H A 23 SER HBy 1.0 1.8 4.0 335 243 A 23 SER H A 23 SER HBx 1.0 1.8 4.0 336 244 A 23 SER H A 24 LEU H 1.0 1.8 5.5 337 245 A 23 SER HA A 24 LEU H 1.0 1.8 3.0 338 246 A 24 LEU H A 23 SER HBy 1.0 1.8 4.5 339 246 A 23 SER HBx A 24 LEU H 1.0 1.8 4.5 340 247 A 24 LEU H A 24 LEU HDy% 1.0 1.8 3.8 341 247 A 24 LEU H A 24 LEU HDx% 1.0 1.8 3.8 342 248 A 23 SER HA A 24 LEU HA 1.0 1.8 6.0 343 249 A 16 LYS HA A 25 ASP H 1.0 1.8 5.0 344 250 A 24 LEU HA A 25 ASP H 1.0 1.8 3.0 345 251 A 25 ASP H A 24 LEU HBx 1.0 1.8 4.5 346 251 A 25 ASP H A 24 LEU HBy 1.0 1.8 4.5 347 252 A 25 ASP H A 24 LEU HDx% 1.0 1.8 5.3 348 252 A 25 ASP H A 24 LEU HDy% 1.0 1.8 5.3 349 253 A 25 ASP H A 25 ASP HA 1.0 1.8 4.3 350 254 A 25 ASP H A 25 ASP HBx 1.0 1.8 4.8 351 254 A 25 ASP H A 25 ASP HBy 1.0 1.8 4.8 352 255 A 16 LYS HA A 26 LEU H 1.0 1.8 5.0 353 256 A 25 ASP HA A 26 LEU H 1.0 1.8 3.0 354 257 A 26 LEU HA A 45 PHE HBy 1.0 1.8 6.5 355 258 A 26 LEU HA A 45 PHE HBx 1.0 1.8 6.5 356 259 A 24 LEU HG A 26 LEU HBy 1.0 1.8 5.8 357 259 A 26 LEU HBx A 24 LEU HG 1.0 1.8 5.8 358 260 A 45 PHE HBy A 26 LEU HBy 1.0 1.8 6.5 359 260 A 45 PHE HBy A 26 LEU HBx 1.0 1.8 6.5 360 261 A 45 PHE HBx A 26 LEU HBy 1.0 1.8 6.5 361 261 A 45 PHE HBx A 26 LEU HBx 1.0 1.8 6.5 362 262 A 27 SER H A 15 LYS HBx 1.0 1.8 6.0 363 262 A 27 SER H A 15 LYS HBy 1.0 1.8 6.0 364 263 A 16 LYS HA A 27 SER H 1.0 1.8 4.5 365 264 A 27 SER H A 26 LEU HBy 1.0 1.8 5.5 366 264 A 26 LEU HBx A 27 SER H 1.0 1.8 5.5 367 265 A 26 LEU HA A 27 SER H 1.0 1.8 6.0 368 266 A 27 SER H A 27 SER HA 1.0 1.8 3.8 369 267 A 27 SER HA A 26 LEU HDx% 1.0 1.8 4.3 370 267 A 26 LEU HDy% A 27 SER HA 1.0 1.8 4.3 371 268 A 27 SER HA A 28 GLU HGx 1.0 1.8 5.3 372 268 A 27 SER HA A 28 GLU HGy 1.0 1.8 5.3 373 269 A 27 SER HA A 29 GLY HAx 1.0 1.8 6.5 374 269 A 29 GLY HAy A 27 SER HA 1.0 1.8 6.5 375 270 A 27 SER HA A 30 ARG HDx 1.0 1.8 5.5 376 270 A 30 ARG HDy A 27 SER HA 1.0 1.8 5.5 377 271 A 28 GLU H A 15 LYS HBx 1.0 1.8 4.5 378 271 A 15 LYS HBy A 28 GLU H 1.0 1.8 4.5 379 272 A 16 LYS HA A 28 GLU H 1.0 1.8 5.3 380 273 A 27 SER HA A 28 GLU H 1.0 1.8 5.3 381 274 A 28 GLU H A 28 GLU HA 1.0 1.8 4.5 382 275 A 28 GLU H A 28 GLU HBy 1.0 1.8 4.5 383 275 A 28 GLU HBx A 28 GLU H 1.0 1.8 4.5 384 276 A 28 GLU H A 29 GLY H 1.0 1.8 4.5 385 277 A 29 GLY H A 15 LYS HBx 1.0 1.8 4.5 386 277 A 15 LYS HBy A 29 GLY H 1.0 1.8 4.5 387 278 A 15 LYS H A 29 GLY H 1.0 1.8 6.3 388 279 A 16 LYS H A 29 GLY H 1.0 1.8 5.5 389 280 A 16 LYS HA A 29 GLY H 1.0 1.8 6.0 390 281 A 27 SER HA A 29 GLY H 1.0 1.8 5.0 391 282 A 28 GLU HA A 29 GLY H 1.0 1.8 4.0 392 283 A 29 GLY HAy A 29 GLY H 1.0 1.8 4.3 393 284 A 29 GLY H A 29 GLY HAx 1.0 1.8 4.3 394 285 A 29 GLY H A 30 ARG HDx 1.0 1.8 6.3 395 285 A 30 ARG HDy A 29 GLY H 1.0 1.8 6.3 396 286 A 30 ARG H A 29 GLY H 1.0 1.8 5.3 397 287 A 12 GLN HA A 30 ARG H 1.0 1.8 4.5 398 288 A 30 ARG H A 12 GLN HGy 1.0 1.8 5.5 399 288 A 12 GLN HGx A 30 ARG H 1.0 1.8 5.5 400 289 A 30 ARG H A 26 LEU HDx% 1.0 1.8 6.5 401 289 A 30 ARG H A 26 LEU HDy% 1.0 1.8 6.5 402 290 A 30 ARG H A 26 LEU HG 1.0 1.8 6.0 403 291 A 30 ARG H A 27 SER HA 1.0 1.8 6.5 404 292 A 30 ARG H A 29 GLY HAx 1.0 1.8 4.0 405 293 A 30 ARG H A 29 GLY HAy 1.0 1.8 4.0 406 294 A 30 ARG H A 30 ARG HA 1.0 1.8 6.0 407 295 A 30 ARG H A 30 ARG HDx 1.0 1.8 6.3 408 295 A 30 ARG H A 30 ARG HDy 1.0 1.8 6.3 409 296 A 30 ARG H A 30 ARG HGx 1.0 1.8 5.3 410 296 A 30 ARG H A 30 ARG HGy 1.0 1.8 5.3 411 297 A 30 ARG H A 43 HIS H 1.0 1.8 6.5 412 298 A 30 ARG H A 44 SER HA 1.0 1.8 4.0 413 299 A 30 ARG H A 44 SER HBx 1.0 1.8 5.0 414 299 A 30 ARG H A 44 SER HBy 1.0 1.8 5.0 415 300 A 30 ARG HA A 44 SER HA 1.0 1.8 4.8 416 301 A 30 ARG HA A 44 SER HBx 1.0 1.8 5.5 417 301 A 30 ARG HA A 44 SER HBy 1.0 1.8 5.5 418 302 A 27 SER HA A 30 ARG HA 1.0 1.8 6.3 419 303 A 30 ARG HDy A 44 SER HA 1.0 1.8 5.5 420 304 A 44 SER HA A 30 ARG HDx 1.0 1.8 5.5 421 305 A 12 GLN H A 31 PHE H 1.0 1.8 6.3 422 306 A 30 ARG HA A 31 PHE H 1.0 1.8 3.8 423 307 A 31 PHE H A 30 ARG HBx 1.0 1.8 4.8 424 307 A 31 PHE H A 30 ARG HBy 1.0 1.8 4.8 425 308 A 31 PHE H A 30 ARG HGx 1.0 1.8 5.3 426 308 A 30 ARG HGy A 31 PHE H 1.0 1.8 5.3 427 309 A 30 ARG HDy A 31 PHE H 1.0 1.8 6.0 428 310 A 31 PHE H A 30 ARG HDx 1.0 1.8 6.0 429 311 A 31 PHE H A 31 PHE HBy 1.0 1.8 6.3 430 311 A 31 PHE HBx A 31 PHE H 1.0 1.8 6.3 431 312 A 32 ALA H A 31 PHE H 1.0 1.8 6.3 432 313 A 31 PHE H A 42 GLU HA 1.0 1.8 5.5 433 314 A 43 HIS H A 31 PHE H 1.0 1.8 4.0 434 315 A 31 PHE H A 43 HIS HA 1.0 1.8 6.0 435 316 A 31 PHE H A 43 HIS HBx 1.0 1.8 5.5 436 316 A 31 PHE H A 43 HIS HBy 1.0 1.8 5.5 437 317 A 31 PHE H A 44 SER H 1.0 1.8 6.3 438 318 A 44 SER HA A 31 PHE H 1.0 1.8 5.0 439 319 A 31 PHE H A 44 SER HBx 1.0 1.8 6.0 440 319 A 44 SER HBy A 31 PHE H 1.0 1.8 6.0 441 320 A 31 PHE H A 45 PHE H 1.0 1.8 6.0 442 321 A 9 GLU H A 31 PHE HA 1.0 1.8 6.0 443 322 A 31 PHE HA A 10 VAL HGy% 1.0 1.8 6.0 444 322 A 10 VAL HGx% A 31 PHE HA 1.0 1.8 6.0 445 323 A 32 ALA HB% A 31 PHE HA 1.0 1.8 6.3 446 324 A 32 ALA H A 8 ILE HD11 1.0 1.8 6.3 447 325 A 32 ALA H A 9 GLU HBx 1.0 1.8 5.0 448 325 A 32 ALA H A 9 GLU HBy 1.0 1.8 5.0 449 326 A 32 ALA H A 9 GLU HGx 1.0 1.8 6.5 450 326 A 9 GLU HGy A 32 ALA H 1.0 1.8 6.5 451 327 A 32 ALA H A 10 VAL HA 1.0 1.8 4.5 452 328 A 32 ALA H A 10 VAL HGy% 1.0 1.8 6.5 453 328 A 32 ALA H A 10 VAL HGx% 1.0 1.8 6.5 454 329 A 32 ALA H A 11 SER HBy 1.0 1.8 5.0 455 329 A 32 ALA H A 11 SER HBx 1.0 1.8 5.0 456 330 A 32 ALA H A 11 SER HA 1.0 1.8 6.0 457 331 A 32 ALA H A 30 ARG HBx 1.0 1.8 6.3 458 331 A 32 ALA H A 30 ARG HBy 1.0 1.8 6.3 459 332 A 32 ALA H A 31 PHE HA 1.0 1.8 4.3 460 333 A 32 ALA H A 31 PHE HBx 1.0 1.8 5.3 461 334 A 32 ALA H A 31 PHE HBy 1.0 1.8 5.3 462 335 A 32 ALA H A 32 ALA HA 1.0 1.8 5.8 463 336 A 32 ALA H A 32 ALA HB% 1.0 1.8 4.3 464 337 A 32 ALA H A 33 VAL H 1.0 1.8 4.5 465 338 A 32 ALA H A 42 GLU HA 1.0 1.8 6.0 466 339 A 33 VAL HB A 32 ALA HA 1.0 1.8 6.3 467 340 A 33 VAL HGx% A 32 ALA HA 1.0 1.8 6.3 468 340 A 32 ALA HA A 33 VAL HGy% 1.0 1.8 6.3 469 341 A 32 ALA HA A 42 GLU HBx 1.0 1.8 5.0 470 341 A 32 ALA HA A 42 GLU HBy 1.0 1.8 5.0 471 342 A 8 ILE HA A 33 VAL H 1.0 1.8 6.0 472 343 A 33 VAL H A 11 SER HBy 1.0 1.8 6.5 473 343 A 33 VAL H A 11 SER HBx 1.0 1.8 6.5 474 344 A 32 ALA HB% A 33 VAL H 1.0 1.8 4.0 475 345 A 33 VAL HB A 33 VAL H 1.0 1.8 4.3 476 346 A 33 VAL HGx% A 33 VAL H 1.0 1.8 6.0 477 347 A 33 VAL H A 33 VAL HGy% 1.0 1.8 5.3 478 348 A 34 ALA H A 33 VAL H 1.0 1.8 4.8 479 349 A 33 VAL H A 40 MET HA 1.0 1.8 5.0 480 350 A 33 VAL H A 41 GLU HA 1.0 1.8 5.5 481 351 A 33 VAL H A 41 GLU H 1.0 1.8 4.0 482 352 A 33 VAL H A 42 GLU HA 1.0 1.8 4.5 483 353 A 33 VAL HA A 32 ALA HB% 1.0 1.8 6.0 484 354 A 33 VAL HA A 33 VAL H 1.0 1.8 6.5 485 355 A 34 ALA H A 7 GLY HAx 1.0 1.8 5.0 486 355 A 34 ALA H A 7 GLY HAy 1.0 1.8 5.0 487 356 A 34 ALA H A 8 ILE HA 1.0 1.8 4.0 488 357 A 34 ALA H A 9 GLU H 1.0 1.8 5.5 489 358 A 34 ALA H A 33 VAL HGy% 1.0 1.8 4.8 490 358 A 34 ALA H A 33 VAL HGx% 1.0 1.8 4.8 491 359 A 34 ALA H A 33 VAL HA 1.0 1.8 3.0 492 360 A 34 ALA H A 33 VAL HB 1.0 1.8 6.0 493 361 A 34 ALA H A 33 VAL HGx% 1.0 1.8 4.8 494 361 A 34 ALA H A 33 VAL HGy% 1.0 1.8 4.8 495 362 A 34 ALA H A 34 ALA HA 1.0 1.8 5.3 496 363 A 34 ALA H A 34 ALA HB% 1.0 1.8 3.5 497 364 A 34 ALA H A 35 TYR H 1.0 1.8 6.3 498 365 A 34 ALA H A 40 MET HA 1.0 1.8 5.5 499 366 A 34 ALA HA A 8 ILE HA 1.0 1.8 6.3 500 367 A 33 VAL HGx% A 34 ALA HA 1.0 1.8 6.3 501 367 A 34 ALA HA A 33 VAL HGy% 1.0 1.8 6.3 502 368 A 34 ALA HA A 40 MET HA 1.0 1.8 4.0 503 369 A 34 ALA HA A 40 MET HBy 1.0 1.8 5.3 504 369 A 34 ALA HA A 40 MET HBx 1.0 1.8 5.3 505 370 A 34 ALA HA A 40 MET HGx 1.0 1.8 5.5 506 370 A 34 ALA HA A 40 MET HGy 1.0 1.8 5.5 507 371 A 5 ILE HA A 35 TYR H 1.0 1.8 5.5 508 372 A 35 TYR H A 33 VAL HGy% 1.0 1.8 6.0 509 372 A 33 VAL HGx% A 35 TYR H 1.0 1.8 6.0 510 373 A 34 ALA HA A 35 TYR H 1.0 1.8 3.3 511 374 A 34 ALA HB% A 35 TYR H 1.0 1.8 4.0 512 375 A 35 TYR HA A 35 TYR H 1.0 1.8 5.8 513 376 A 35 TYR H A 35 TYR HBy 1.0 1.8 4.5 514 377 A 35 TYR HBx A 35 TYR H 1.0 1.8 5.5 515 378 A 36 SER HA A 35 TYR H 1.0 1.8 6.3 516 379 A 36 SER H A 35 TYR H 1.0 1.8 6.3 517 380 A 35 TYR H A 37 ASN H 1.0 1.8 5.0 518 381 A 35 TYR H A 39 THR H 1.0 1.8 4.5 519 382 A 35 TYR H A 40 MET HA 1.0 1.8 4.5 520 383 A 35 TYR HA A 3 LYS HGy 1.0 1.8 6.0 521 383 A 35 TYR HA A 3 LYS HGx 1.0 1.8 6.0 522 384 A 35 TYR HA A 5 ILE HB 1.0 1.8 4.5 523 385 A 35 TYR HA A 5 ILE HG21 1.0 1.8 6.0 524 386 A 35 TYR HA A 33 VAL HGx% 1.0 1.8 6.0 525 386 A 35 TYR HA A 33 VAL HGy% 1.0 1.8 6.0 526 387 A 35 TYR HA A 36 SER HA 1.0 1.8 6.3 527 388 A 36 SER H A 5 ILE HB 1.0 1.8 5.5 528 389 A 36 SER H A 5 ILE HG1x 1.0 1.8 6.3 529 389 A 36 SER H A 5 ILE HG1y 1.0 1.8 6.3 530 390 A 36 SER H A 5 ILE HG21 1.0 1.8 6.5 531 391 A 36 SER H A 6 LEU HDx% 1.0 1.8 5.0 532 391 A 36 SER H A 6 LEU HDy% 1.0 1.8 5.0 533 392 A 36 SER H A 7 GLY H 1.0 1.8 6.3 534 393 A 35 TYR HA A 36 SER H 1.0 1.8 4.0 535 394 A 36 SER H A 35 TYR HBx 1.0 1.8 5.5 536 395 A 36 SER H A 35 TYR HBy 1.0 1.8 5.8 537 396 A 36 SER H A 36 SER HA 1.0 1.8 4.3 538 397 A 36 SER H A 36 SER HBx 1.0 1.8 5.0 539 397 A 36 SER H A 36 SER HBy 1.0 1.8 5.0 540 398 A 36 SER H A 37 ASN HA 1.0 1.8 6.3 541 399 A 36 SER H A 37 ASN H 1.0 1.8 5.8 542 400 A 36 SER H A 38 ASP H 1.0 1.8 5.0 543 401 A 37 ASN H A 3 LYS HGy 1.0 1.8 6.0 544 401 A 3 LYS HGx A 37 ASN H 1.0 1.8 6.0 545 402 A 5 ILE HA A 37 ASN H 1.0 1.8 6.0 546 403 A 34 ALA HB% A 37 ASN H 1.0 1.8 6.5 547 404 A 37 ASN H A 35 TYR HBy 1.0 1.8 4.5 548 404 A 35 TYR HBx A 37 ASN H 1.0 1.8 4.5 549 405 A 35 TYR HA A 37 ASN H 1.0 1.8 5.0 550 406 A 36 SER HA A 37 ASN H 1.0 1.8 4.8 551 407 A 37 ASN HBx A 37 ASN H 1.0 1.8 4.5 552 408 A 37 ASN HBy A 37 ASN H 1.0 1.8 4.0 553 409 A 37 ASN H A 37 ASN HA 1.0 1.8 4.0 554 410 A 37 ASN H A 38 ASP HA 1.0 1.8 6.0 555 411 A 37 ASN H A 38 ASP H 1.0 1.8 4.5 556 412 A 37 ASN H A 39 THR H 1.0 1.8 5.0 557 413 A 35 TYR HA A 38 ASP H 1.0 1.8 5.5 558 414 A 35 TYR H A 38 ASP H 1.0 1.8 5.0 559 415 A 36 SER HA A 38 ASP H 1.0 1.8 4.0 560 416 A 37 ASN HA A 38 ASP H 1.0 1.8 4.0 561 417 A 38 ASP H A 38 ASP HBx 1.0 1.8 4.5 562 418 A 38 ASP H A 38 ASP HBy 1.0 1.8 4.5 563 419 A 38 ASP H A 38 ASP HA 1.0 1.8 3.0 564 420 A 39 THR H A 38 ASP H 1.0 1.8 3.8 565 421 A 38 ASP H A 39 THR HG2% 1.0 1.8 6.3 566 422 A 38 ASP HA A 39 THR HA 1.0 1.8 5.3 567 423 A 34 ALA HB% A 39 THR H 1.0 1.8 5.5 568 424 A 39 THR H A 35 TYR HBy 1.0 1.8 4.5 569 424 A 35 TYR HBx A 39 THR H 1.0 1.8 4.5 570 425 A 35 TYR HA A 39 THR H 1.0 1.8 5.0 571 426 A 39 THR H A 37 ASN HA 1.0 1.8 5.5 572 427 A 39 THR H A 38 ASP HBx 1.0 1.8 6.0 573 427 A 39 THR H A 38 ASP HBy 1.0 1.8 6.0 574 428 A 39 THR H A 38 ASP HA 1.0 1.8 4.0 575 429 A 39 THR H A 39 THR HA 1.0 1.8 4.8 576 430 A 39 THR H A 39 THR HB 1.0 1.8 5.5 577 431 A 39 THR H A 39 THR HG2% 1.0 1.8 4.5 578 432 A 39 THR H A 40 MET H 1.0 1.8 6.3 579 433 A 40 MET HA A 39 THR H 1.0 1.8 6.5 580 434 A 39 THR H A 40 MET HGx 1.0 1.8 6.3 581 434 A 40 MET HGy A 39 THR H 1.0 1.8 6.3 582 435 A 39 THR H A 40 MET HBy 1.0 1.8 6.3 583 435 A 40 MET HBx A 39 THR H 1.0 1.8 6.3 584 436 A 39 THR HA A 35 TYR HBy 1.0 1.8 5.5 585 436 A 35 TYR HBx A 39 THR HA 1.0 1.8 5.5 586 437 A 40 MET HA A 39 THR HA 1.0 1.8 6.3 587 438 A 39 THR HA A 40 MET HBy 1.0 1.8 6.0 588 438 A 40 MET HBx A 39 THR HA 1.0 1.8 6.0 589 439 A 39 THR HA A 40 MET HGx 1.0 1.8 6.3 590 439 A 40 MET HGy A 39 THR HA 1.0 1.8 6.3 591 440 A 40 MET H A 35 TYR HBy 1.0 1.8 5.5 592 440 A 35 TYR HBx A 40 MET H 1.0 1.8 5.5 593 441 A 39 THR HA A 40 MET H 1.0 1.8 3.0 594 442 A 39 THR HG2% A 40 MET H 1.0 1.8 4.0 595 443 A 39 THR HB A 40 MET H 1.0 1.8 3.0 596 444 A 40 MET HA A 40 MET H 1.0 1.8 4.8 597 445 A 40 MET H A 40 MET HGx 1.0 1.8 5.0 598 445 A 40 MET HGy A 40 MET H 1.0 1.8 5.0 599 446 A 40 MET H A 40 MET HBy 1.0 1.8 3.8 600 446 A 40 MET HBx A 40 MET H 1.0 1.8 3.8 601 447 A 41 GLU H A 40 MET H 1.0 1.8 5.5 602 448 A 40 MET HA A 33 VAL HGy% 1.0 1.8 6.0 603 449 A 34 ALA HB% A 40 MET HA 1.0 1.8 5.0 604 450 A 34 ALA HA A 40 MET HA 1.0 1.8 3.5 605 451 A 40 MET HA A 39 THR HA 1.0 1.8 6.3 606 452 A 40 MET HA A 39 THR HG2% 1.0 1.8 6.3 607 453 A 34 ALA HA A 40 MET HBy 1.0 1.8 4.5 608 453 A 34 ALA HA A 40 MET HBx 1.0 1.8 4.5 609 454 A 39 THR HA A 40 MET HBy 1.0 1.8 5.8 610 454 A 40 MET HBx A 39 THR HA 1.0 1.8 5.8 611 455 A 41 GLU H A 40 MET HBy 1.0 1.8 6.5 612 455 A 41 GLU H A 40 MET HBx 1.0 1.8 6.5 613 456 A 33 VAL H A 40 MET HGx 1.0 1.8 6.3 614 456 A 33 VAL H A 40 MET HGy 1.0 1.8 6.3 615 457 A 34 ALA HA A 40 MET HGx 1.0 1.8 5.0 616 457 A 34 ALA HA A 40 MET HGy 1.0 1.8 5.0 617 458 A 34 ALA HB% A 40 MET HGx 1.0 1.8 4.0 618 458 A 34 ALA HB% A 40 MET HGy 1.0 1.8 4.0 619 459 A 39 THR HA A 40 MET HGx 1.0 1.8 6.3 620 459 A 40 MET HGy A 39 THR HA 1.0 1.8 6.3 621 460 A 39 THR HG2% A 40 MET HGx 1.0 1.8 6.3 622 460 A 40 MET HGy A 39 THR HG2% 1.0 1.8 6.3 623 461 A 33 VAL HB A 41 GLU H 1.0 1.8 5.0 624 462 A 33 VAL HGx% A 41 GLU H 1.0 1.8 5.5 625 463 A 41 GLU H A 33 VAL HGy% 1.0 1.8 6.0 626 464 A 34 ALA HA A 41 GLU H 1.0 1.8 4.5 627 465 A 34 ALA H A 41 GLU H 1.0 1.8 5.5 628 466 A 40 MET HA A 41 GLU H 1.0 1.8 3.0 629 467 A 41 GLU HA A 41 GLU H 1.0 1.8 4.3 630 468 A 41 GLU H A 42 GLU H 1.0 1.8 5.3 631 469 A 33 VAL H A 41 GLU HBx 1.0 1.8 5.0 632 469 A 33 VAL H A 41 GLU HBy 1.0 1.8 5.0 633 470 A 33 VAL HGx% A 41 GLU HBy 1.0 1.8 5.5 634 470 A 33 VAL HGx% A 41 GLU HBx 1.0 1.8 5.5 635 471 A 41 GLU HBy A 33 VAL HGy% 1.0 1.8 6.0 636 471 A 33 VAL HGy% A 41 GLU HBx 1.0 1.8 6.0 637 472 A 42 GLU HA A 41 GLU HBx 1.0 1.8 5.3 638 472 A 42 GLU HA A 41 GLU HBy 1.0 1.8 5.3 639 473 A 42 GLU H A 41 GLU HBx 1.0 1.8 3.5 640 473 A 42 GLU H A 41 GLU HBy 1.0 1.8 3.5 641 474 A 41 GLU HA A 42 GLU H 1.0 1.8 3.0 642 475 A 42 GLU H A 42 GLU HBx 1.0 1.8 3.0 643 475 A 42 GLU HBy A 42 GLU H 1.0 1.8 3.0 644 476 A 42 GLU HA A 42 GLU H 1.0 1.8 4.8 645 477 A 32 ALA HB% A 42 GLU HA 1.0 1.8 5.5 646 478 A 30 ARG HA A 43 HIS H 1.0 1.8 5.0 647 479 A 32 ALA H A 43 HIS H 1.0 1.8 6.0 648 480 A 32 ALA HB% A 43 HIS H 1.0 1.8 6.0 649 481 A 43 HIS H A 42 GLU HA 1.0 1.8 3.8 650 482 A 43 HIS H A 42 GLU HGx 1.0 1.8 4.8 651 482 A 43 HIS H A 42 GLU HGy 1.0 1.8 4.8 652 483 A 43 HIS H A 42 GLU HBx 1.0 1.8 4.8 653 483 A 43 HIS H A 42 GLU HBy 1.0 1.8 4.8 654 484 A 43 HIS H A 43 HIS HA 1.0 1.8 5.3 655 485 A 43 HIS H A 43 HIS HBy 1.0 1.8 5.3 656 486 A 43 HIS H A 43 HIS HBx 1.0 1.8 5.3 657 487 A 43 HIS H A 44 SER H 1.0 1.8 6.3 658 488 A 43 HIS H A 44 SER HBx 1.0 1.8 6.5 659 488 A 43 HIS H A 44 SER HBy 1.0 1.8 6.5 660 489 A 43 HIS H A 47 ASP HBy 1.0 1.8 6.5 661 490 A 43 HIS H A 47 ASP HBx 1.0 1.8 6.5 662 491 A 42 GLU HA A 43 HIS HA 1.0 1.8 6.3 663 492 A 44 SER HA A 43 HIS HA 1.0 1.8 6.5 664 493 A 43 HIS HA A 44 SER HBx 1.0 1.8 6.3 665 493 A 44 SER HBy A 43 HIS HA 1.0 1.8 6.3 666 494 A 43 HIS HA A 47 ASP HBx 1.0 1.8 6.5 667 494 A 43 HIS HA A 47 ASP HBy 1.0 1.8 6.5 668 495 A 44 SER H A 46 THR HG2% 1.0 1.8 6.0 669 496 A 30 ARG HA A 44 SER H 1.0 1.8 6.0 670 497 A 30 ARG HDy A 44 SER H 1.0 1.8 6.3 671 498 A 44 SER H A 30 ARG HDx 1.0 1.8 6.3 672 499 A 44 SER H A 43 HIS HBx 1.0 1.8 4.5 673 500 A 43 HIS HBy A 44 SER H 1.0 1.8 5.0 674 501 A 43 HIS HA A 44 SER H 1.0 1.8 3.0 675 502 A 44 SER HA A 44 SER H 1.0 1.8 5.3 676 503 A 44 SER H A 44 SER HBx 1.0 1.8 4.0 677 503 A 44 SER HBy A 44 SER H 1.0 1.8 4.0 678 504 A 44 SER H A 45 PHE H 1.0 1.8 6.3 679 505 A 44 SER H A 47 ASP H 1.0 1.8 5.5 680 506 A 44 SER HA A 30 ARG HBx 1.0 1.8 5.0 681 506 A 44 SER HA A 30 ARG HBy 1.0 1.8 5.0 682 507 A 44 SER HA A 30 ARG HGx 1.0 1.8 5.5 683 507 A 30 ARG HGy A 44 SER HA 1.0 1.8 5.5 684 508 A 30 ARG HDy A 44 SER HA 1.0 1.8 5.0 685 509 A 44 SER HA A 30 ARG HDx 1.0 1.8 5.0 686 510 A 44 SER HA A 43 HIS HA 1.0 1.8 5.5 687 511 A 44 SER HA A 43 HIS HBx 1.0 1.8 6.5 688 511 A 44 SER HA A 43 HIS HBy 1.0 1.8 6.5 689 512 A 30 ARG HA A 44 SER HBx 1.0 1.8 5.5 690 512 A 30 ARG HA A 44 SER HBy 1.0 1.8 5.5 691 513 A 30 ARG HGy A 44 SER HBx 1.0 1.8 6.0 692 513 A 30 ARG HGx A 44 SER HBx 1.0 1.8 6.0 693 513 A 44 SER HBy A 30 ARG HGx 1.0 1.8 6.0 694 513 A 30 ARG HGy A 44 SER HBy 1.0 1.8 6.0 695 514 A 30 ARG HDy A 44 SER HBy 1.0 1.8 5.5 696 514 A 30 ARG HDy A 44 SER HBx 1.0 1.8 5.5 697 515 A 44 SER HBy A 30 ARG HDx 1.0 1.8 5.5 698 515 A 30 ARG HDx A 44 SER HBx 1.0 1.8 5.5 699 516 A 30 ARG HA A 45 PHE H 1.0 1.8 5.0 700 517 A 44 SER HA A 45 PHE H 1.0 1.8 4.0 701 518 A 45 PHE H A 45 PHE HA 1.0 1.8 4.8 702 519 A 45 PHE HBx A 45 PHE H 1.0 1.8 4.8 703 520 A 45 PHE HBy A 45 PHE H 1.0 1.8 4.5 704 521 A 45 PHE H A 46 THR H 1.0 1.8 5.0 705 522 A 45 PHE H A 46 THR HG2% 1.0 1.8 5.8 706 523 A 45 PHE HA A 30 ARG HBx 1.0 1.8 6.5 707 523 A 30 ARG HBy A 45 PHE HA 1.0 1.8 6.5 708 524 A 45 PHE HBy A 30 ARG HBx 1.0 1.8 6.5 709 524 A 45 PHE HBy A 30 ARG HBy 1.0 1.8 6.5 710 525 A 45 PHE HBx A 30 ARG HBx 1.0 1.8 6.5 711 525 A 45 PHE HBx A 30 ARG HBy 1.0 1.8 6.5 712 526 A 46 THR H A 30 ARG HBx 1.0 1.8 6.5 713 526 A 30 ARG HBy A 46 THR H 1.0 1.8 6.5 714 527 A 44 SER HA A 46 THR H 1.0 1.8 5.5 715 528 A 46 THR H A 44 SER HBx 1.0 1.8 6.0 716 528 A 44 SER HBy A 46 THR H 1.0 1.8 6.0 717 529 A 44 SER H A 46 THR H 1.0 1.8 5.0 718 530 A 45 PHE HBy A 46 THR H 1.0 1.8 6.0 719 531 A 45 PHE HBx A 46 THR H 1.0 1.8 6.0 720 532 A 46 THR HG2% A 46 THR H 1.0 1.8 3.8 721 533 A 46 THR H A 46 THR HB 1.0 1.8 4.0 722 534 A 47 ASP H A 46 THR H 1.0 1.8 4.0 723 535 A 47 ASP HBy A 46 THR H 1.0 1.8 6.0 724 536 A 46 THR H A 47 ASP HBx 1.0 1.8 6.0 725 537 A 46 THR H A 47 ASP HA 1.0 1.8 6.3 726 538 A 44 SER HA A 47 ASP H 1.0 1.8 6.0 727 539 A 45 PHE H A 47 ASP H 1.0 1.8 5.0 728 540 A 46 THR HG2% A 47 ASP H 1.0 1.8 4.0 729 541 A 47 ASP H A 47 ASP HA 1.0 1.8 4.0 730 542 A 47 ASP HBy A 47 ASP H 1.0 1.8 3.8 731 543 A 47 ASP H A 47 ASP HBx 1.0 1.8 3.8 732 544 A 47 ASP H A 48 GLU H 1.0 1.8 5.5 733 545 A 47 ASP HA A 48 GLU HA 1.0 1.8 6.5 734 546 A 47 ASP HA A 48 GLU H 1.0 1.8 3.0 735 547 A 47 ASP HBy A 48 GLU H 1.0 1.8 4.8 736 548 A 48 GLU H A 47 ASP HBx 1.0 1.8 4.5 737 549 A 48 GLU H A 48 GLU HA 1.0 1.8 4.5 738 550 A 48 GLU H A 48 GLU HBy 1.0 1.8 3.3 739 551 A 48 GLU H A 48 GLU HBx 1.0 1.8 4.5 740 552 A 48 GLU H A 49 GLY H 1.0 1.8 5.3 741 553 A 48 GLU HA A 49 GLY H 1.0 1.8 3.0 742 554 A 49 GLY H A 48 GLU HBy 1.0 1.8 4.3 743 555 A 49 GLY H A 48 GLU HBx 1.0 1.8 4.3 744 556 A 49 GLY H A 49 GLY HAy 1.0 1.8 3.8 745 557 A 49 GLY H A 49 GLY HAx 1.0 1.8 3.8 746 558 A 49 GLY H A 50 VAL H 1.0 1.8 4.0 747 559 A 47 ASP HBy A 50 VAL H 1.0 1.8 6.3 748 560 A 50 VAL H A 47 ASP HBx 1.0 1.8 6.3 749 561 A 47 ASP H A 50 VAL H 1.0 1.8 6.3 750 562 A 48 GLU HA A 50 VAL H 1.0 1.8 5.8 751 563 A 50 VAL H A 49 GLY HAy 1.0 1.8 4.8 752 564 A 50 VAL H A 49 GLY HAx 1.0 1.8 4.8 753 565 A 50 VAL H A 50 VAL HA 1.0 1.8 4.8 754 566 A 50 VAL H A 50 VAL HB 1.0 1.8 3.8 755 567 A 50 VAL H A 51 GLU H 1.0 1.8 6.3 756 568 A 50 VAL H A 51 GLU HA 1.0 1.8 6.5 757 569 A 50 VAL HA A 51 GLU H 1.0 1.8 3.5 758 570 A 51 GLU H A 51 GLU HA 1.0 1.8 4.5 759 571 A 51 GLU H A 51 GLU HBy 1.0 1.8 5.0 760 572 A 51 GLU H A 51 GLU HBx 1.0 1.8 5.0 761 573 A 51 GLU H A 51 GLU HGy 1.0 1.8 5.8 762 573 A 51 GLU H A 51 GLU HGx 1.0 1.8 5.8 763 574 A 51 GLU H A 52 ILE H 1.0 1.8 6.3 764 575 A 51 GLU H A 52 ILE HG21 1.0 1.8 6.3 765 576 A 51 GLU H A 52 ILE HD11 1.0 1.8 4.3 766 577 A 51 GLU H A 68 HIS HA 1.0 1.8 5.5 767 578 A 51 GLU H A 68 HIS HBx 1.0 1.8 5.0 768 578 A 51 GLU H A 68 HIS HBy 1.0 1.8 5.0 769 579 A 51 GLU H A 68 HIS H 1.0 1.8 4.5 770 580 A 51 GLU H A 69 TYR HA 1.0 1.8 4.5 771 581 A 51 GLU H A 69 TYR HBy 1.0 1.8 6.0 772 581 A 51 GLU H A 69 TYR HBx 1.0 1.8 6.0 773 582 A 51 GLU HA A 52 ILE HD11 1.0 1.8 5.8 774 583 A 51 GLU HA A 52 ILE HA 1.0 1.8 6.3 775 584 A 51 GLU HA A 68 HIS HBx 1.0 1.8 6.5 776 584 A 51 GLU HA A 68 HIS HBy 1.0 1.8 6.5 777 585 A 52 ILE HD11 A 51 GLU HBx 1.0 1.8 6.3 778 585 A 52 ILE HD11 A 51 GLU HBy 1.0 1.8 6.3 779 586 A 68 HIS HBy A 51 GLU HBy 1.0 1.8 6.3 780 586 A 51 GLU HBy A 68 HIS HBx 1.0 1.8 6.3 781 587 A 68 HIS HBy A 51 GLU HBx 1.0 1.8 6.3 782 587 A 51 GLU HBx A 68 HIS HBx 1.0 1.8 6.3 783 588 A 48 GLU HBx A 51 GLU HGy 1.0 1.8 5.5 784 588 A 48 GLU HBy A 51 GLU HGy 1.0 1.8 5.5 785 588 A 51 GLU HGx A 48 GLU HBx 1.0 1.8 5.5 786 588 A 51 GLU HGx A 48 GLU HBy 1.0 1.8 5.5 787 589 A 48 GLU HA A 51 GLU HGy 1.0 1.8 5.0 788 589 A 48 GLU HA A 51 GLU HGx 1.0 1.8 5.0 789 590 A 49 GLY HAy A 51 GLU HGy 1.0 1.8 6.5 790 590 A 49 GLY HAx A 51 GLU HGy 1.0 1.8 6.5 791 590 A 51 GLU HGx A 49 GLY HAx 1.0 1.8 6.5 792 590 A 51 GLU HGx A 49 GLY HAy 1.0 1.8 6.5 793 591 A 51 GLU HA A 52 ILE H 1.0 1.8 3.0 794 592 A 52 ILE H A 51 GLU HBx 1.0 1.8 3.5 795 592 A 52 ILE H A 51 GLU HBy 1.0 1.8 3.5 796 593 A 52 ILE H A 52 ILE HA 1.0 1.8 5.0 797 594 A 52 ILE H A 52 ILE HD11 1.0 1.8 4.5 798 595 A 52 ILE H A 67 LEU HBy 1.0 1.8 5.5 799 595 A 52 ILE H A 67 LEU HBx 1.0 1.8 5.5 800 596 A 52 ILE H A 68 HIS HBx 1.0 1.8 6.5 801 596 A 52 ILE H A 68 HIS HBy 1.0 1.8 6.5 802 597 A 52 ILE HA A 51 GLU HBx 1.0 1.8 5.8 803 597 A 52 ILE HA A 51 GLU HBy 1.0 1.8 5.8 804 598 A 52 ILE HA A 66 THR HA 1.0 1.8 5.5 805 599 A 52 ILE HA A 67 LEU HBy 1.0 1.8 5.0 806 599 A 52 ILE HA A 67 LEU HBx 1.0 1.8 5.0 807 600 A 68 HIS H A 52 ILE HA 1.0 1.8 5.0 808 601 A 50 VAL HB A 52 ILE HD11 1.0 1.8 6.3 809 602 A 51 GLU HA A 52 ILE HD11 1.0 1.8 6.3 810 603 A 52 ILE HD11 A 65 LEU HBx 1.0 1.8 5.0 811 603 A 52 ILE HD11 A 65 LEU HBy 1.0 1.8 5.0 812 604 A 52 ILE HD11 A 66 THR HA 1.0 1.8 5.5 813 605 A 51 GLU HA A 53 SER H 1.0 1.8 6.3 814 606 A 52 ILE HA A 53 SER H 1.0 1.8 3.5 815 607 A 53 SER H A 52 ILE HB 1.0 1.8 6.3 816 608 A 52 ILE HD11 A 53 SER H 1.0 1.8 4.8 817 609 A 52 ILE H A 53 SER H 1.0 1.8 6.3 818 610 A 53 SER H A 53 SER HA 1.0 1.8 5.5 819 611 A 53 SER H A 53 SER HBy 1.0 1.8 6.3 820 612 A 53 SER H A 53 SER HBx 1.0 1.8 6.3 821 613 A 53 SER H A 54 GLY H 1.0 1.8 6.3 822 614 A 53 SER H A 65 LEU HG 1.0 1.8 6.0 823 615 A 53 SER H A 66 THR H 1.0 1.8 4.0 824 616 A 66 THR HA A 53 SER H 1.0 1.8 5.0 825 617 A 53 SER H A 66 THR HB 1.0 1.8 5.0 826 618 A 53 SER H A 67 LEU HBy 1.0 1.8 6.0 827 618 A 67 LEU HBx A 53 SER H 1.0 1.8 6.0 828 619 A 68 HIS H A 53 SER H 1.0 1.8 5.5 829 620 A 53 SER HA A 54 GLY HAx 1.0 1.8 6.3 830 620 A 53 SER HA A 54 GLY HAy 1.0 1.8 6.3 831 621 A 54 GLY H A 53 SER HBy 1.0 1.8 4.5 832 621 A 54 GLY H A 53 SER HBx 1.0 1.8 4.5 833 622 A 53 SER HA A 54 GLY H 1.0 1.8 4.3 834 623 A 54 GLY H A 54 GLY HAy 1.0 1.8 4.3 835 624 A 54 GLY H A 54 GLY HAx 1.0 1.8 4.3 836 625 A 54 GLY H A 55 TYR H 1.0 1.8 4.5 837 626 A 54 GLY H A 55 TYR HBx 1.0 1.8 6.3 838 626 A 54 GLY H A 55 TYR HBy 1.0 1.8 6.3 839 627 A 54 GLY H A 65 LEU HG 1.0 1.8 6.0 840 628 A 54 GLY H A 65 LEU HA 1.0 1.8 5.5 841 629 A 65 LEU HG A 54 GLY HAy 1.0 1.8 6.0 842 630 A 65 LEU HG A 54 GLY HAx 1.0 1.8 5.5 843 631 A 55 TYR H A 53 SER HBy 1.0 1.8 6.0 844 631 A 53 SER HBx A 55 TYR H 1.0 1.8 6.0 845 632 A 53 SER HA A 55 TYR H 1.0 1.8 5.3 846 633 A 54 GLY HAy A 55 TYR H 1.0 1.8 5.0 847 634 A 55 TYR H A 54 GLY HAx 1.0 1.8 5.0 848 635 A 55 TYR H A 55 TYR HA 1.0 1.8 4.3 849 636 A 55 TYR H A 55 TYR HBx 1.0 1.8 3.5 850 636 A 55 TYR H A 55 TYR HBy 1.0 1.8 3.5 851 637 A 55 TYR H A 56 ASP H 1.0 1.8 5.3 852 638 A 65 LEU HG A 55 TYR H 1.0 1.8 4.0 853 639 A 55 TYR H A 65 LEU H 1.0 1.8 6.3 854 640 A 65 LEU HG A 55 TYR HA 1.0 1.8 5.0 855 641 A 65 LEU HG A 55 TYR HBy 1.0 1.8 5.0 856 641 A 65 LEU HG A 55 TYR HBx 1.0 1.8 5.0 857 642 A 55 TYR HA A 56 ASP H 1.0 1.8 3.5 858 643 A 56 ASP H A 56 ASP HA 1.0 1.8 5.0 859 644 A 56 ASP H A 56 ASP HBy 1.0 1.8 4.8 860 645 A 56 ASP H A 56 ASP HBx 1.0 1.8 5.0 861 646 A 56 ASP H A 57 ALA HA 1.0 1.8 6.3 862 647 A 56 ASP H A 57 ALA HB% 1.0 1.8 6.3 863 648 A 56 ASP H A 57 ALA H 1.0 1.8 6.3 864 649 A 56 ASP H A 59 LYS H 1.0 1.8 6.3 865 650 A 56 ASP H A 59 LYS HBy 1.0 1.8 6.3 866 651 A 56 ASP H A 59 LYS HBx 1.0 1.8 6.3 867 652 A 56 ASP H A 64 THR H 1.0 1.8 6.0 868 653 A 24 LEU HDy% A 57 ALA H 1.0 1.8 6.0 869 653 A 57 ALA H A 24 LEU HDx% 1.0 1.8 6.0 870 654 A 56 ASP HA A 57 ALA H 1.0 1.8 3.0 871 655 A 57 ALA H A 56 ASP HBy 1.0 1.8 5.5 872 656 A 57 ALA H A 56 ASP HBx 1.0 1.8 4.5 873 657 A 57 ALA HA A 57 ALA H 1.0 1.8 4.3 874 658 A 57 ALA HB% A 57 ALA H 1.0 1.8 3.8 875 659 A 57 ALA H A 58 GLN H 1.0 1.8 4.3 876 660 A 57 ALA H A 58 GLN HBx 1.0 1.8 6.0 877 660 A 57 ALA H A 58 GLN HBy 1.0 1.8 6.0 878 661 A 57 ALA H A 59 LYS H 1.0 1.8 6.0 879 662 A 57 ALA HA A 23 SER HBy 1.0 1.8 6.0 880 662 A 23 SER HBx A 57 ALA HA 1.0 1.8 6.0 881 663 A 24 LEU HA A 57 ALA HA 1.0 1.8 6.3 882 664 A 24 LEU HG A 57 ALA HA 1.0 1.8 5.0 883 665 A 57 ALA HA A 24 LEU HDx% 1.0 1.8 5.0 884 665 A 24 LEU HDy% A 57 ALA HA 1.0 1.8 5.0 885 666 A 58 GLN H A 24 LEU HDx% 1.0 1.8 6.5 886 666 A 24 LEU HDy% A 58 GLN H 1.0 1.8 6.5 887 667 A 58 GLN H A 56 ASP HBx 1.0 1.8 6.3 888 667 A 58 GLN H A 56 ASP HBy 1.0 1.8 6.3 889 668 A 57 ALA HA A 58 GLN H 1.0 1.8 5.5 890 669 A 57 ALA HB% A 58 GLN H 1.0 1.8 4.5 891 670 A 58 GLN H A 58 GLN HBx 1.0 1.8 4.3 892 671 A 58 GLN H A 58 GLN HBy 1.0 1.8 4.3 893 672 A 58 GLN H A 58 GLN HA 1.0 1.8 4.0 894 673 A 59 LYS H A 58 GLN H 1.0 1.8 3.8 895 674 A 57 ALA HB% A 58 GLN HA 1.0 1.8 6.3 896 675 A 59 LYS H A 56 ASP HBy 1.0 1.8 4.5 897 676 A 59 LYS H A 56 ASP HBx 1.0 1.8 5.0 898 677 A 57 ALA HA A 59 LYS H 1.0 1.8 5.5 899 678 A 59 LYS H A 58 GLN HA 1.0 1.8 5.3 900 679 A 59 LYS H A 59 LYS HA 1.0 1.8 6.5 901 680 A 59 LYS H A 59 LYS HBy 1.0 1.8 4.3 902 681 A 59 LYS H A 59 LYS HBx 1.0 1.8 4.3 903 682 A 59 LYS HA A 60 THR HG2% 1.0 1.8 6.3 904 683 A 60 THR H A 56 ASP HBx 1.0 1.8 6.0 905 683 A 56 ASP HBy A 60 THR H 1.0 1.8 6.0 906 684 A 59 LYS HA A 60 THR H 1.0 1.8 3.0 907 685 A 60 THR H A 59 LYS HBx 1.0 1.8 4.5 908 685 A 60 THR H A 59 LYS HBy 1.0 1.8 4.5 909 686 A 60 THR H A 59 LYS HGy 1.0 1.8 4.3 910 687 A 60 THR H A 59 LYS HGx 1.0 1.8 4.3 911 688 A 60 THR H A 59 LYS HEx 1.0 1.8 6.3 912 688 A 60 THR H A 59 LYS HEy 1.0 1.8 6.3 913 689 A 59 LYS H A 60 THR H 1.0 1.8 5.3 914 690 A 60 THR H A 60 THR HA 1.0 1.8 4.8 915 691 A 60 THR HG2% A 60 THR H 1.0 1.8 3.5 916 692 A 60 THR H A 61 GLY HAx 1.0 1.8 6.3 917 692 A 60 THR H A 61 GLY HAy 1.0 1.8 6.3 918 693 A 60 THR H A 61 GLY H 1.0 1.8 6.0 919 694 A 60 THR H A 80 VAL HGy% 1.0 1.8 5.5 920 695 A 80 VAL HB A 60 THR H 1.0 1.8 5.5 921 696 A 60 THR HA A 59 LYS HBx 1.0 1.8 6.5 922 696 A 59 LYS HBy A 60 THR HA 1.0 1.8 6.5 923 697 A 78 VAL HA A 60 THR HB 1.0 1.8 6.3 924 698 A 78 VAL HGx% A 60 THR HB 1.0 1.8 6.3 925 698 A 60 THR HB A 78 VAL HGy% 1.0 1.8 6.3 926 699 A 80 VAL HB A 60 THR HB 1.0 1.8 6.3 927 700 A 60 THR HB A 80 VAL HGx% 1.0 1.8 6.3 928 700 A 60 THR HB A 80 VAL HGy% 1.0 1.8 6.3 929 701 A 60 THR HB A 80 VAL H 1.0 1.8 4.0 930 702 A 61 GLY H A 60 THR HB 1.0 1.8 4.0 931 703 A 60 THR HA A 61 GLY H 1.0 1.8 4.0 932 704 A 60 THR HG2% A 61 GLY H 1.0 1.8 4.3 933 705 A 61 GLY H A 61 GLY HAx 1.0 1.8 4.3 934 705 A 61 GLY HAy A 61 GLY H 1.0 1.8 4.3 935 706 A 61 GLY H A 62 ARG HBx 1.0 1.8 6.0 936 706 A 61 GLY H A 62 ARG HBy 1.0 1.8 6.0 937 707 A 61 GLY H A 63 GLN HBy 1.0 1.8 6.0 938 708 A 61 GLY H A 79 LEU HA 1.0 1.8 4.0 939 709 A 61 GLY H A 79 LEU HBx 1.0 1.8 6.0 940 709 A 79 LEU HBy A 61 GLY H 1.0 1.8 6.0 941 710 A 61 GLY H A 79 LEU HDx% 1.0 1.8 6.0 942 710 A 79 LEU HDy% A 61 GLY H 1.0 1.8 6.0 943 711 A 61 GLY H A 80 VAL HGy% 1.0 1.8 5.0 944 712 A 61 GLY H A 80 VAL H 1.0 1.8 4.0 945 713 A 80 VAL HB A 61 GLY H 1.0 1.8 4.0 946 714 A 60 THR HB A 62 ARG H 1.0 1.8 5.0 947 715 A 61 GLY H A 62 ARG H 1.0 1.8 5.5 948 716 A 62 ARG H A 61 GLY HAx 1.0 1.8 3.3 949 716 A 61 GLY HAy A 62 ARG H 1.0 1.8 3.3 950 717 A 62 ARG H A 62 ARG HBx 1.0 1.8 3.0 951 717 A 62 ARG HBy A 62 ARG H 1.0 1.8 3.0 952 718 A 62 ARG H A 62 ARG HGx 1.0 1.8 4.8 953 718 A 62 ARG H A 62 ARG HGy 1.0 1.8 4.8 954 719 A 62 ARG H A 62 ARG HA 1.0 1.8 4.3 955 720 A 62 ARG H A 63 GLN H 1.0 1.8 6.0 956 721 A 55 TYR HA A 63 GLN H 1.0 1.8 6.0 957 722 A 63 GLN H A 62 ARG HBx 1.0 1.8 4.5 958 722 A 62 ARG HBy A 63 GLN H 1.0 1.8 4.5 959 723 A 63 GLN H A 62 ARG HDx 1.0 1.8 6.3 960 723 A 63 GLN H A 62 ARG HDy 1.0 1.8 6.3 961 724 A 62 ARG HA A 63 GLN H 1.0 1.8 3.8 962 725 A 63 GLN H A 63 GLN HBx 1.0 1.8 4.0 963 726 A 63 GLN H A 63 GLN HBy 1.0 1.8 4.3 964 727 A 63 GLN H A 77 ASP HA 1.0 1.8 5.5 965 728 A 63 GLN H A 78 VAL H 1.0 1.8 4.0 966 729 A 78 VAL HB A 63 GLN H 1.0 1.8 5.0 967 730 A 78 VAL HGx% A 63 GLN H 1.0 1.8 5.0 968 731 A 79 LEU HA A 63 GLN H 1.0 1.8 4.5 969 732 A 63 GLN H A 79 LEU HDx% 1.0 1.8 4.5 970 732 A 79 LEU HDy% A 63 GLN H 1.0 1.8 4.5 971 733 A 80 VAL H A 63 GLN H 1.0 1.8 6.0 972 734 A 55 TYR HA A 64 THR H 1.0 1.8 5.0 973 735 A 64 THR H A 63 GLN H 1.0 1.8 6.0 974 736 A 64 THR H A 63 GLN HBy 1.0 1.8 4.0 975 737 A 64 THR H A 63 GLN HBx 1.0 1.8 5.0 976 738 A 64 THR H A 64 THR HB 1.0 1.8 4.0 977 739 A 64 THR H A 64 THR HG2% 1.0 1.8 4.5 978 740 A 65 LEU H A 64 THR H 1.0 1.8 6.3 979 741 A 65 LEU HA A 64 THR H 1.0 1.8 6.5 980 742 A 65 LEU HG A 64 THR H 1.0 1.8 6.3 981 743 A 64 THR HA A 63 GLN HBx 1.0 1.8 6.3 982 743 A 64 THR HA A 63 GLN HBy 1.0 1.8 6.3 983 744 A 65 LEU HG A 64 THR HA 1.0 1.8 6.3 984 745 A 64 THR HA A 77 ASP HBx 1.0 1.8 5.0 985 745 A 64 THR HA A 77 ASP HBy 1.0 1.8 5.0 986 746 A 77 ASP HA A 64 THR HA 1.0 1.8 4.0 987 747 A 65 LEU H A 63 GLN HBx 1.0 1.8 6.3 988 747 A 65 LEU H A 63 GLN HBy 1.0 1.8 6.3 989 748 A 65 LEU H A 64 THR HA 1.0 1.8 4.0 990 749 A 65 LEU H A 64 THR HB 1.0 1.8 6.0 991 750 A 65 LEU H A 64 THR HG2% 1.0 1.8 4.5 992 751 A 65 LEU HA A 65 LEU H 1.0 1.8 6.5 993 752 A 65 LEU H A 65 LEU HBy 1.0 1.8 5.0 994 752 A 65 LEU HBx A 65 LEU H 1.0 1.8 5.0 995 753 A 65 LEU HG A 65 LEU H 1.0 1.8 4.3 996 754 A 66 THR H A 65 LEU H 1.0 1.8 6.3 997 755 A 65 LEU H A 76 PHE H 1.0 1.8 4.0 998 756 A 65 LEU H A 77 ASP HA 1.0 1.8 4.0 999 757 A 78 VAL HB A 65 LEU H 1.0 1.8 6.3 1000 758 A 65 LEU HA A 54 GLY HAx 1.0 1.8 5.0 1001 758 A 54 GLY HAy A 65 LEU HA 1.0 1.8 5.0 1002 759 A 65 LEU HA A 55 TYR HBx 1.0 1.8 4.0 1003 760 A 66 THR HB A 65 LEU HA 1.0 1.8 6.3 1004 761 A 52 ILE HA A 66 THR H 1.0 1.8 4.5 1005 762 A 52 ILE HB A 66 THR H 1.0 1.8 5.5 1006 763 A 54 GLY H A 66 THR H 1.0 1.8 6.0 1007 764 A 66 THR H A 55 TYR HA 1.0 1.8 6.5 1008 765 A 66 THR H A 65 LEU HA 1.0 1.8 3.3 1009 766 A 66 THR H A 65 LEU HBy 1.0 1.8 4.3 1010 766 A 65 LEU HBx A 66 THR H 1.0 1.8 4.3 1011 767 A 65 LEU HG A 66 THR H 1.0 1.8 4.3 1012 768 A 66 THR H A 66 THR HB 1.0 1.8 4.5 1013 769 A 66 THR H A 67 LEU H 1.0 1.8 6.3 1014 770 A 66 THR H A 67 LEU HBy 1.0 1.8 6.0 1015 770 A 67 LEU HBx A 66 THR H 1.0 1.8 6.0 1016 771 A 66 THR H A 75 SER HA 1.0 1.8 5.5 1017 772 A 66 THR H A 76 PHE H 1.0 1.8 5.5 1018 773 A 52 ILE HG21 A 66 THR HA 1.0 1.8 5.5 1019 774 A 66 THR HA A 53 SER HBy 1.0 1.8 6.5 1020 774 A 66 THR HA A 53 SER HBx 1.0 1.8 6.5 1021 775 A 66 THR HA A 65 LEU H 1.0 1.8 6.3 1022 776 A 66 THR HA A 74 VAL H 1.0 1.8 5.0 1023 777 A 66 THR HA A 75 SER HA 1.0 1.8 4.0 1024 778 A 68 HIS HA A 66 THR HG21 1.0 1.8 6.3 1025 779 A 66 THR HG21 A 68 HIS HBx 1.0 1.8 6.3 1026 779 A 68 HIS HBy A 66 THR HG21 1.0 1.8 6.3 1027 780 A 66 THR HG21 A 73 GLU HA 1.0 1.8 5.0 1028 781 A 66 THR HG21 A 73 GLU HGx 1.0 1.8 5.0 1029 781 A 66 THR HG21 A 73 GLU HGy 1.0 1.8 5.0 1030 782 A 76 PHE H A 66 THR HG21 1.0 1.8 5.5 1031 783 A 66 THR HB A 67 LEU HG 1.0 1.8 6.3 1032 784 A 52 ILE HA A 67 LEU H 1.0 1.8 5.0 1033 785 A 66 THR HA A 67 LEU H 1.0 1.8 3.5 1034 786 A 66 THR HB A 67 LEU H 1.0 1.8 6.3 1035 787 A 67 LEU H A 66 THR HG21 1.0 1.8 4.5 1036 788 A 67 LEU H A 67 LEU HBy 1.0 1.8 4.8 1037 789 A 67 LEU HBx A 67 LEU H 1.0 1.8 4.8 1038 790 A 67 LEU H A 68 HIS HBx 1.0 1.8 6.5 1039 790 A 68 HIS HBy A 67 LEU H 1.0 1.8 6.5 1040 791 A 67 LEU H A 73 GLU HGx 1.0 1.8 6.5 1041 791 A 67 LEU H A 73 GLU HGy 1.0 1.8 6.5 1042 792 A 67 LEU H A 74 VAL H 1.0 1.8 3.5 1043 793 A 67 LEU H A 75 SER HA 1.0 1.8 4.5 1044 794 A 67 LEU H A 75 SER HBy 1.0 1.8 6.0 1045 794 A 67 LEU H A 75 SER HBx 1.0 1.8 6.0 1046 795 A 76 PHE H A 67 LEU H 1.0 1.8 5.5 1047 796 A 68 HIS H A 51 GLU HGy 1.0 1.8 6.5 1048 796 A 51 GLU HGx A 68 HIS H 1.0 1.8 6.5 1049 797 A 52 ILE HD11 A 68 HIS H 1.0 1.8 5.5 1050 798 A 68 HIS H A 66 THR HG21 1.0 1.8 6.3 1051 799 A 68 HIS H A 68 HIS HBx 1.0 1.8 4.3 1052 799 A 68 HIS HBy A 68 HIS H 1.0 1.8 4.3 1053 800 A 68 HIS H A 69 TYR H 1.0 1.8 5.5 1054 801 A 68 HIS H A 73 GLU HA 1.0 1.8 5.5 1055 802 A 68 HIS HA A 72 HIS HA 1.0 1.8 6.0 1056 803 A 68 HIS HA A 73 GLU HA 1.0 1.8 4.0 1057 804 A 68 HIS HA A 73 GLU HGx 1.0 1.8 6.0 1058 804 A 68 HIS HA A 73 GLU HGy 1.0 1.8 6.0 1059 805 A 51 GLU H A 69 TYR H 1.0 1.8 5.5 1060 806 A 68 HIS HA A 69 TYR H 1.0 1.8 3.3 1061 807 A 69 TYR H A 68 HIS HBx 1.0 1.8 4.3 1062 807 A 68 HIS HBy A 69 TYR H 1.0 1.8 4.3 1063 808 A 69 TYR H A 69 TYR HBy 1.0 1.8 5.8 1064 809 A 69 TYR HBx A 69 TYR H 1.0 1.8 5.8 1065 810 A 69 TYR HA A 69 TYR H 1.0 1.8 4.8 1066 811 A 69 TYR H A 70 GLN HA 1.0 1.8 6.3 1067 812 A 69 TYR H A 70 GLN HBy 1.0 1.8 6.3 1068 812 A 69 TYR H A 70 GLN HBx 1.0 1.8 6.3 1069 813 A 69 TYR H A 70 GLN HGx 1.0 1.8 6.3 1070 813 A 69 TYR H A 70 GLN HGy 1.0 1.8 6.3 1071 814 A 69 TYR H A 72 HIS H 1.0 1.8 3.5 1072 815 A 73 GLU HA A 69 TYR H 1.0 1.8 4.5 1073 816 A 68 HIS HA A 69 TYR HA 1.0 1.8 6.3 1074 817 A 69 TYR HA A 69 TYR HBy 1.0 1.8 5.3 1075 818 A 69 TYR HA A 69 TYR HBx 1.0 1.8 5.3 1076 819 A 69 TYR HA A 70 GLN HGx 1.0 1.8 6.3 1077 819 A 69 TYR HA A 70 GLN HGy 1.0 1.8 6.3 1078 820 A 51 GLU H A 70 GLN H 1.0 1.8 6.5 1079 821 A 69 TYR HA A 70 GLN H 1.0 1.8 3.5 1080 822 A 70 GLN H A 69 TYR HBy 1.0 1.8 6.3 1081 822 A 69 TYR HBx A 70 GLN H 1.0 1.8 6.3 1082 823 A 70 GLN HA A 70 GLN H 1.0 1.8 3.5 1083 824 A 70 GLN H A 70 GLN HBy 1.0 1.8 5.0 1084 824 A 70 GLN HBx A 70 GLN H 1.0 1.8 5.0 1085 825 A 70 GLN HGy A 70 GLN H 1.0 1.8 4.8 1086 826 A 70 GLN H A 70 GLN HGx 1.0 1.8 4.8 1087 827 A 70 GLN H A 71 GLY H 1.0 1.8 5.0 1088 828 A 72 HIS H A 70 GLN H 1.0 1.8 6.3 1089 829 A 69 TYR HA A 70 GLN HGy 1.0 1.8 6.3 1090 830 A 69 TYR HA A 70 GLN HGx 1.0 1.8 6.3 1091 831 A 68 HIS HA A 71 GLY H 1.0 1.8 6.5 1092 832 A 71 GLY H A 68 HIS HBx 1.0 1.8 6.5 1093 832 A 68 HIS HBy A 71 GLY H 1.0 1.8 6.5 1094 833 A 69 TYR HA A 71 GLY H 1.0 1.8 5.5 1095 834 A 70 GLN HA A 71 GLY H 1.0 1.8 3.8 1096 835 A 71 GLY H A 70 GLN HGx 1.0 1.8 5.8 1097 835 A 70 GLN HGy A 71 GLY H 1.0 1.8 5.8 1098 836 A 71 GLY H A 70 GLN HBy 1.0 1.8 6.3 1099 836 A 70 GLN HBx A 71 GLY H 1.0 1.8 6.3 1100 837 A 71 GLY H A 71 GLY HAx 1.0 1.8 4.3 1101 838 A 71 GLY H A 71 GLY HAy 1.0 1.8 4.3 1102 839 A 72 HIS H A 71 GLY H 1.0 1.8 4.3 1103 840 A 68 HIS HA A 72 HIS H 1.0 1.8 5.0 1104 841 A 72 HIS H A 71 GLY HAx 1.0 1.8 5.3 1105 842 A 72 HIS H A 71 GLY HAy 1.0 1.8 5.3 1106 843 A 72 HIS H A 72 HIS HBx 1.0 1.8 3.8 1107 843 A 72 HIS H A 72 HIS HBy 1.0 1.8 3.8 1108 844 A 73 GLU HA A 72 HIS H 1.0 1.8 6.3 1109 845 A 8 ILE HD11 A 72 HIS HBx 1.0 1.8 4.5 1110 845 A 72 HIS HBy A 8 ILE HD11 1.0 1.8 4.5 1111 846 A 67 LEU HG A 73 GLU H 1.0 1.8 6.0 1112 847 A 68 HIS HA A 73 GLU H 1.0 1.8 5.5 1113 848 A 72 HIS H A 73 GLU H 1.0 1.8 5.5 1114 849 A 72 HIS HA A 73 GLU H 1.0 1.8 3.0 1115 850 A 73 GLU H A 72 HIS HBx 1.0 1.8 3.8 1116 850 A 72 HIS HBy A 73 GLU H 1.0 1.8 3.8 1117 851 A 73 GLU HA A 73 GLU H 1.0 1.8 4.8 1118 852 A 66 THR HA A 73 GLU HA 1.0 1.8 6.0 1119 853 A 66 THR HG21 A 73 GLU HA 1.0 1.8 5.0 1120 854 A 67 LEU H A 73 GLU HA 1.0 1.8 5.0 1121 855 A 73 GLU HA A 68 HIS HBx 1.0 1.8 5.5 1122 855 A 68 HIS HBy A 73 GLU HA 1.0 1.8 5.5 1123 856 A 73 GLU HA A 74 VAL HB 1.0 1.8 6.3 1124 857 A 68 HIS HA A 73 GLU HGx 1.0 1.8 6.0 1125 857 A 68 HIS HA A 73 GLU HGy 1.0 1.8 6.0 1126 858 A 66 THR HG21 A 73 GLU HGx 1.0 1.8 5.5 1127 858 A 66 THR HG21 A 73 GLU HGy 1.0 1.8 5.5 1128 859 A 66 THR HA A 73 GLU HGx 1.0 1.8 6.5 1129 859 A 66 THR HA A 73 GLU HGy 1.0 1.8 6.5 1130 860 A 74 VAL H A 73 GLU HGx 1.0 1.8 5.5 1131 860 A 74 VAL H A 73 GLU HGy 1.0 1.8 5.5 1132 861 A 74 VAL H A 12 GLN HGy 1.0 1.8 6.5 1133 861 A 12 GLN HGx A 74 VAL H 1.0 1.8 6.5 1134 862 A 66 THR HB A 74 VAL H 1.0 1.8 5.5 1135 863 A 74 VAL H A 66 THR HG21 1.0 1.8 4.5 1136 864 A 68 HIS HA A 74 VAL H 1.0 1.8 4.5 1137 865 A 74 VAL H A 73 GLU H 1.0 1.8 5.3 1138 866 A 74 VAL H A 73 GLU HA 1.0 1.8 3.3 1139 867 A 74 VAL H A 73 GLU HGx 1.0 1.8 5.3 1140 867 A 74 VAL H A 73 GLU HGy 1.0 1.8 5.3 1141 868 A 74 VAL HA A 12 GLN HGy 1.0 1.8 6.0 1142 868 A 12 GLN HGx A 74 VAL HA 1.0 1.8 6.0 1143 869 A 66 THR HG21 A 74 VAL HA 1.0 1.8 6.0 1144 870 A 67 LEU H A 74 VAL HA 1.0 1.8 5.5 1145 871 A 67 LEU HG A 74 VAL HA 1.0 1.8 6.3 1146 872 A 73 GLU HA A 74 VAL HA 1.0 1.8 6.3 1147 873 A 74 VAL HA A 73 GLU HGx 1.0 1.8 5.0 1148 873 A 73 GLU HGy A 74 VAL HA 1.0 1.8 5.0 1149 874 A 74 VAL H A 74 VAL HA 1.0 1.8 5.3 1150 875 A 74 VAL HA A 75 SER HBy 1.0 1.8 6.3 1151 876 A 75 SER HBx A 74 VAL HA 1.0 1.8 6.3 1152 877 A 66 THR HG21 A 74 VAL HB 1.0 1.8 6.0 1153 878 A 74 VAL HB A 67 LEU HBy 1.0 1.8 4.5 1154 878 A 67 LEU HBx A 74 VAL HB 1.0 1.8 4.5 1155 879 A 74 VAL HB A 75 SER HBy 1.0 1.8 5.8 1156 879 A 75 SER HBx A 74 VAL HB 1.0 1.8 5.8 1157 880 A 75 SER H A 12 GLN HGy 1.0 1.8 6.5 1158 880 A 12 GLN HGx A 75 SER H 1.0 1.8 6.5 1159 881 A 67 LEU H A 75 SER H 1.0 1.8 5.5 1160 882 A 74 VAL HA A 75 SER H 1.0 1.8 3.0 1161 883 A 74 VAL HB A 75 SER H 1.0 1.8 4.3 1162 884 A 75 SER HA A 75 SER H 1.0 1.8 4.8 1163 885 A 75 SER H A 75 SER HBy 1.0 1.8 4.3 1164 885 A 75 SER HBx A 75 SER H 1.0 1.8 4.3 1165 886 A 76 PHE H A 75 SER H 1.0 1.8 5.8 1166 887 A 75 SER H A 76 PHE HA 1.0 1.8 5.8 1167 888 A 64 THR HG2% A 75 SER HA 1.0 1.8 6.0 1168 889 A 65 LEU H A 75 SER HA 1.0 1.8 5.0 1169 890 A 75 SER HA A 66 THR HG21 1.0 1.8 4.5 1170 891 A 64 THR HG2% A 75 SER HBy 1.0 1.8 6.0 1171 892 A 64 THR HG2% A 75 SER HBx 1.0 1.8 6.0 1172 893 A 64 THR HG2% A 76 PHE H 1.0 1.8 4.5 1173 894 A 76 PHE H A 65 LEU HBy 1.0 1.8 5.0 1174 894 A 65 LEU HBx A 76 PHE H 1.0 1.8 5.0 1175 895 A 65 LEU HG A 76 PHE H 1.0 1.8 6.0 1176 896 A 66 THR HA A 76 PHE H 1.0 1.8 4.5 1177 897 A 76 PHE H A 67 LEU HBy 1.0 1.8 6.3 1178 897 A 67 LEU HBx A 76 PHE H 1.0 1.8 6.3 1179 898 A 76 PHE H A 75 SER HA 1.0 1.8 3.0 1180 899 A 76 PHE H A 75 SER HBy 1.0 1.8 4.5 1181 900 A 76 PHE H A 75 SER HBx 1.0 1.8 4.5 1182 901 A 76 PHE H A 75 SER H 1.0 1.8 5.3 1183 902 A 76 PHE H A 76 PHE HBx 1.0 1.8 5.5 1184 902 A 76 PHE H A 76 PHE HBy 1.0 1.8 5.5 1185 903 A 76 PHE H A 76 PHE HA 1.0 1.8 4.8 1186 904 A 65 LEU H A 76 PHE HA 1.0 1.8 5.0 1187 905 A 75 SER HA A 76 PHE HA 1.0 1.8 6.3 1188 906 A 76 PHE HA A 77 ASP H 1.0 1.8 3.0 1189 907 A 77 ASP H A 76 PHE HBx 1.0 1.8 4.3 1190 907 A 76 PHE HBy A 77 ASP H 1.0 1.8 4.3 1191 908 A 77 ASP HA A 77 ASP H 1.0 1.8 4.8 1192 909 A 77 ASP H A 77 ASP HBx 1.0 1.8 4.3 1193 909 A 77 ASP HBy A 77 ASP H 1.0 1.8 4.3 1194 910 A 62 ARG HGy A 77 ASP HA 1.0 1.8 6.0 1195 911 A 77 ASP HA A 63 GLN HBy 1.0 1.8 6.0 1196 912 A 77 ASP HA A 64 THR HA 1.0 1.8 4.0 1197 913 A 77 ASP HA A 64 THR HG2% 1.0 1.8 5.0 1198 914 A 65 LEU HG A 77 ASP HA 1.0 1.8 5.5 1199 915 A 77 ASP HA A 78 VAL HGy% 1.0 1.8 6.3 1200 915 A 78 VAL HGx% A 77 ASP HA 1.0 1.8 6.3 1201 916 A 78 VAL H A 62 ARG HBx 1.0 1.8 6.5 1202 916 A 62 ARG HBy A 78 VAL H 1.0 1.8 6.5 1203 917 A 78 VAL H A 62 ARG HGx 1.0 1.8 6.0 1204 917 A 62 ARG HGy A 78 VAL H 1.0 1.8 6.0 1205 918 A 78 VAL H A 62 ARG HDx 1.0 1.8 6.0 1206 918 A 62 ARG HDy A 78 VAL H 1.0 1.8 6.0 1207 919 A 78 VAL H A 63 GLN HBy 1.0 1.8 5.0 1208 920 A 78 VAL H A 63 GLN HBx 1.0 1.8 6.0 1209 921 A 78 VAL H A 64 THR HA 1.0 1.8 4.5 1210 922 A 78 VAL H A 64 THR HB 1.0 1.8 6.5 1211 923 A 65 LEU HG A 78 VAL H 1.0 1.8 5.5 1212 924 A 65 LEU H A 78 VAL H 1.0 1.8 5.5 1213 925 A 77 ASP HA A 78 VAL H 1.0 1.8 3.3 1214 926 A 78 VAL HA A 78 VAL H 1.0 1.8 5.5 1215 927 A 78 VAL HB A 78 VAL H 1.0 1.8 4.5 1216 928 A 78 VAL HGx% A 78 VAL H 1.0 1.8 5.0 1217 929 A 78 VAL H A 78 VAL HGy% 1.0 1.8 4.5 1218 930 A 79 LEU H A 78 VAL H 1.0 1.8 6.3 1219 931 A 18 TYR H A 79 LEU H 1.0 1.8 4.5 1220 932 A 78 VAL HA A 79 LEU H 1.0 1.8 3.3 1221 933 A 78 VAL HB A 79 LEU H 1.0 1.8 4.3 1222 934 A 78 VAL HGx% A 79 LEU H 1.0 1.8 4.5 1223 935 A 79 LEU H A 78 VAL HGy% 1.0 1.8 4.5 1224 936 A 79 LEU H A 79 LEU HBx 1.0 1.8 4.5 1225 936 A 79 LEU HBy A 79 LEU H 1.0 1.8 4.5 1226 937 A 79 LEU H A 80 VAL H 1.0 1.8 6.3 1227 938 A 80 VAL HB A 79 LEU HA 1.0 1.8 6.3 1228 939 A 79 LEU HA A 80 VAL HGy% 1.0 1.8 6.3 1229 939 A 79 LEU HA A 80 VAL HGx% 1.0 1.8 6.3 1230 940 A 80 VAL HB A 79 LEU HBx 1.0 1.8 6.3 1231 940 A 79 LEU HBy A 80 VAL HB 1.0 1.8 6.3 1232 941 A 80 VAL H A 79 LEU HBx 1.0 1.8 6.3 1233 941 A 79 LEU HBy A 80 VAL H 1.0 1.8 6.3 1234 942 A 18 TYR H A 80 VAL H 1.0 1.8 5.5 1235 943 A 60 THR HA A 80 VAL H 1.0 1.8 5.5 1236 944 A 60 THR HG2% A 80 VAL H 1.0 1.8 6.5 1237 945 A 80 VAL H A 61 GLY HAx 1.0 1.8 5.8 1238 945 A 61 GLY HAy A 80 VAL H 1.0 1.8 5.8 1239 946 A 80 VAL H A 62 ARG HA 1.0 1.8 6.0 1240 947 A 80 VAL H A 79 LEU HA 1.0 1.8 3.3 1241 948 A 80 VAL H A 79 LEU HDx% 1.0 1.8 4.3 1242 948 A 79 LEU HDy% A 80 VAL H 1.0 1.8 4.3 1243 949 A 80 VAL H A 80 VAL HA 1.0 1.8 5.3 1244 950 A 80 VAL HB A 80 VAL H 1.0 1.8 4.5 1245 951 A 80 VAL H A 80 VAL HGx% 1.0 1.8 5.3 1246 952 A 80 VAL H A 80 VAL HGy% 1.0 1.8 5.3 1247 953 A 18 TYR H A 80 VAL HA 1.0 1.8 3.5 1248 954 A 80 VAL HA A 18 TYR HBy 1.0 1.8 6.0 1249 955 A 18 TYR HBx A 80 VAL HA 1.0 1.8 6.0 1250 956 A 19 LEU HA A 80 VAL HA 1.0 1.8 5.0 1251 957 A 80 VAL HB A 60 THR HA 1.0 1.8 5.5 1252 958 A 78 VAL HGx% A 80 VAL HB 1.0 1.8 6.0 1253 958 A 80 VAL HB A 78 VAL HGy% 1.0 1.8 6.0 1254 959 A 81 SER H A 18 TYR HBy 1.0 1.8 6.5 1255 960 A 18 TYR HBx A 81 SER H 1.0 1.8 6.5 1256 961 A 81 SER H A 19 LEU HA 1.0 1.8 3.5 1257 962 A 80 VAL HB A 81 SER H 1.0 1.8 6.3 1258 963 A 81 SER H A 80 VAL H 1.0 1.8 6.3 1259 964 A 81 SER H A 80 VAL HGy% 1.0 1.8 4.8 1260 964 A 81 SER H A 80 VAL HGx% 1.0 1.8 4.8 1261 965 A 83 LYS H A 19 LEU HDx% 1.0 1.8 5.5 1262 965 A 19 LEU HDy% A 83 LYS H 1.0 1.8 5.5 1263 966 A 19 LEU HA A 83 LYS H 1.0 1.8 6.0 1264 967 A 83 LYS H A 82 PRO HBy 1.0 1.8 4.3 1265 968 A 82 PRO HBx A 83 LYS H 1.0 1.8 4.3 1266 969 A 83 LYS H A 83 LYS HBx 1.0 1.8 3.8 1267 969 A 83 LYS HBy A 83 LYS H 1.0 1.8 3.8 1268 970 A 83 LYS H A 83 LYS HGx 1.0 1.8 4.3 1269 970 A 83 LYS H A 83 LYS HGy 1.0 1.8 4.3 1270 971 A 83 LYS H A 83 LYS HEx 1.0 1.8 6.3 1271 971 A 83 LYS HEy A 83 LYS H 1.0 1.8 6.3 1272 972 A 19 LEU HA A 83 LYS HA 1.0 1.8 5.0 1273 973 A 83 LYS HA A 19 LEU HDx% 1.0 1.8 4.5 1274 973 A 19 LEU HDy% A 83 LYS HA 1.0 1.8 4.5 1275 974 A 20 VAL HGy% A 83 LYS HBx 1.0 1.8 5.0 1276 974 A 20 VAL HGx% A 83 LYS HBx 1.0 1.8 5.0 1277 974 A 83 LYS HBy A 20 VAL HGx% 1.0 1.8 5.0 1278 974 A 83 LYS HBy A 20 VAL HGy% 1.0 1.8 5.0 1279 975 A 19 LEU HA A 83 LYS HGx 1.0 1.8 6.5 1280 975 A 19 LEU HA A 83 LYS HGy 1.0 1.8 6.5 1281 976 A 19 LEU HDy% A 83 LYS HGx 1.0 1.8 5.5 1282 976 A 19 LEU HDx% A 83 LYS HGx 1.0 1.8 5.5 1283 976 A 83 LYS HGy A 19 LEU HDx% 1.0 1.8 5.5 1284 976 A 19 LEU HDy% A 83 LYS HGy 1.0 1.8 5.5 1285 977 A 20 VAL H A 83 LYS HGx 1.0 1.8 6.0 1286 977 A 20 VAL H A 83 LYS HGy 1.0 1.8 6.0 1287 978 A 83 LYS HA A 84 ALA H 1.0 1.8 3.0 1288 979 A 84 ALA H A 83 LYS HEx 1.0 1.8 6.3 1289 979 A 83 LYS HEy A 84 ALA H 1.0 1.8 6.3 1290 980 A 83 LYS HBy A 84 ALA H 1.0 1.8 4.3 1291 981 A 84 ALA H A 84 ALA HB% 1.0 1.8 3.0 1292 982 A 85 ALA H A 84 ALA HA 1.0 1.8 3.0 1293 983 A 84 ALA HB% A 85 ALA H 1.0 1.8 4.0 1294 984 A 86 LEU H A 85 ALA HA 1.0 1.8 3.0 1295 985 A 86 LEU H A 85 ALA HB% 1.0 1.8 3.0 1296 986 A 88 ASP H A 87 ASN HA 1.0 1.8 3.3 1297 987 A 88 ASP H A 87 ASN HBy 1.0 1.8 6.0 1298 988 A 88 ASP H A 87 ASN HBx 1.0 1.8 6.0 1299 989 A 88 ASP H A 89 GLU H 1.0 1.8 6.4 1300 990 A 89 GLU H A 88 ASP HA 1.0 1.8 3.0 1301 991 A 89 GLU H A 88 ASP HBx 1.0 1.8 3.3 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 34 ALA H A 7 GLY O 1.0 2.2 2.2 2 2 A 7 GLY O A 34 ALA N 1.0 3.2 3.2 3 3 A 9 GLU H A 32 ALA O 1.0 2.2 2.2 4 4 A 32 ALA O A 9 GLU N 1.0 3.2 3.2 5 5 A 32 ALA H A 9 GLU O 1.0 2.2 2.2 6 6 A 9 GLU O A 32 ALA N 1.0 3.2 3.2 7 7 A 33 VAL H A 41 GLU O 1.0 2.2 2.2 8 8 A 41 GLU O A 33 VAL N 1.0 3.2 3.2 9 9 A 41 GLU H A 33 VAL O 1.0 2.2 2.2 10 10 A 33 VAL O A 41 GLU N 1.0 3.2 3.2 11 11 A 68 HIS H A 51 GLU O 1.0 2.2 2.2 12 12 A 51 GLU O A 68 HIS N 1.0 3.0 3.0 13 13 A 53 SER H A 66 THR O 1.0 2.2 2.2 14 14 A 66 THR O A 53 SER N 1.0 3.2 3.2 15 15 A 66 THR H A 53 SER O 1.0 2.2 2.2 16 16 A 53 SER O A 66 THR N 1.0 3.2 3.2 17 17 A 63 GLN H A 78 VAL O 1.0 2.2 2.2 18 18 A 78 VAL O A 63 GLN N 1.0 3.2 3.2 19 19 A 78 VAL H A 63 GLN O 1.0 2.0 2.0 20 20 A 63 GLN O A 78 VAL N 1.0 3.0 3.0 21 21 A 65 LEU H A 76 PHE O 1.0 2.0 2.0 22 22 A 76 PHE O A 65 LEU N 1.0 3.0 3.0 23 23 A 76 PHE H A 65 LEU O 1.0 2.0 2.0 24 24 A 65 LEU O A 76 PHE N 1.0 3.0 3.0 25 25 A 67 LEU H A 74 VAL O 1.0 2.0 2.0 26 26 A 74 VAL O A 67 LEU N 1.0 3.0 3.0 27 27 A 74 VAL H A 67 LEU O 1.0 2.0 2.0 28 28 A 67 LEU O A 74 VAL N 1.0 3.0 3.0 29 29 A 69 TYR H A 72 HIS O 1.0 2.0 2.0 30 30 A 72 HIS O A 69 TYR N 1.0 3.0 3.0 31 31 A 72 HIS H A 69 TYR O 1.0 2.0 2.0 32 32 A 69 TYR O A 72 HIS N 1.0 3.0 3.0 33 33 A 20 VAL H A 81 SER O 1.0 2.4 2.4 34 34 A 81 SER O A 20 VAL N 1.0 3.4 3.4 35 35 A 79 LEU H A 16 LYS O 1.0 2.4 2.4 36 36 A 16 LYS O A 79 LEU N 1.0 3.4 3.4 37 37 A 81 SER H A 18 TYR O 1.0 2.4 2.4 38 38 A 18 TYR O A 81 SER N 1.0 3.4 3.4 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 PRO N A 2 PRO CA A 2 PRO C A 3 LYS N 1.0 138.19 155.25 PSI 2 2 A 2 PRO C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -118.68 -63.90 PHI 3 3 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 THR N 1.0 103.25 156.67 PSI 4 4 A 3 LYS C A 4 THR N A 4 THR CA A 4 THR C 1.0 -123.05 -76.35 PHI 5 5 A 4 THR N A 4 THR CA A 4 THR C A 5 ILE N 1.0 118.63 166.61 PSI 6 6 A 7 GLY C A 8 ILE N A 8 ILE CA A 8 ILE C 1.0 -140.19 -112.15 PHI 7 7 A 8 ILE N A 8 ILE CA A 8 ILE C A 9 GLU N 1.0 130.23 168.29 PSI 8 8 A 8 ILE C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -152.48 -124.62 PHI 9 9 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 VAL N 1.0 126.38 159.06 PSI 10 10 A 9 GLU C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -79.47 -64.61 PHI 11 11 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 SER N 1.0 113.95 137.07 PSI 12 12 A 11 SER C A 12 GLN N A 12 GLN CA A 12 GLN C 1.0 -147.37 -81.59 PHI 13 13 A 12 GLN N A 12 GLN CA A 12 GLN C A 13 GLU N 1.0 121.18 152.52 PSI 14 14 A 12 GLN C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -105.47 -63.27 PHI 15 15 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 PRO N 1.0 116.98 155.28 PSI 16 16 A 14 PRO N A 14 PRO CA A 14 PRO C A 15 LYS N 1.0 131.43 155.49 PSI 17 17 A 16 LYS C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -125.37 -88.17 PHI 18 18 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 TYR N 1.0 122.14 152.36 PSI 19 19 A 17 ASP C A 18 TYR N A 18 TYR CA A 18 TYR C 1.0 -145.46 -118.80 PHI 20 20 A 18 TYR N A 18 TYR CA A 18 TYR C A 19 LEU N 1.0 139.10 153.58 PSI 21 21 A 18 TYR C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -142.58 -81.24 PHI 22 22 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 VAL N 1.0 127.93 157.03 PSI 23 23 A 19 LEU C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -74.62 -44.76 PHI 24 24 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 GLY N 1.0 127.02 141.34 PSI 25 25 A 27 SER C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -103.96 -73.90 PHI 26 26 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 GLY N 1.0 -17.72 7.44 PSI 27 27 A 29 GLY C A 30 ARG N A 30 ARG CA A 30 ARG C 1.0 -140.43 -111.39 PHI 28 28 A 30 ARG N A 30 ARG CA A 30 ARG C A 31 PHE N 1.0 121.37 153.95 PSI 29 29 A 30 ARG C A 31 PHE N A 31 PHE CA A 31 PHE C 1.0 -137.17 -121.13 PHI 30 30 A 31 PHE N A 31 PHE CA A 31 PHE C A 32 ALA N 1.0 124.09 147.73 PSI 31 31 A 31 PHE C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -143.70 -108.90 PHI 32 32 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 VAL N 1.0 119.45 149.85 PSI 33 33 A 32 ALA C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -129.22 -106.36 PHI 34 34 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 ALA N 1.0 115.68 139.50 PSI 35 35 A 33 VAL C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -130.51 -103.61 PHI 36 36 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 TYR N 1.0 113.05 135.55 PSI 37 37 A 34 ALA C A 35 TYR N A 35 TYR CA A 35 TYR C 1.0 -124.71 -78.81 PHI 38 38 A 35 TYR N A 35 TYR CA A 35 TYR C A 36 SER N 1.0 147.24 173.92 PSI 39 39 A 36 SER C A 37 ASN N A 37 ASN CA A 37 ASN C 1.0 -100.50 -67.22 PHI 40 40 A 37 ASN N A 37 ASN CA A 37 ASN C A 38 ASP N 1.0 -25.97 23.67 PSI 41 41 A 39 THR C A 40 MET N A 40 MET CA A 40 MET C 1.0 -140.56 -88.68 PHI 42 42 A 40 MET N A 40 MET CA A 40 MET C A 41 GLU N 1.0 132.31 150.43 PSI 43 43 A 40 MET C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -154.45 -132.87 PHI 44 44 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 GLU N 1.0 134.35 152.05 PSI 45 45 A 41 GLU C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -118.02 -78.60 PHI 46 46 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 HIS N 1.0 126.27 144.43 PSI 47 47 A 42 GLU C A 43 HIS N A 43 HIS CA A 43 HIS C 1.0 -153.91 -115.15 PHI 48 48 A 43 HIS N A 43 HIS CA A 43 HIS C A 44 SER N 1.0 141.42 168.38 PSI 49 49 A 43 HIS C A 44 SER N A 44 SER CA A 44 SER C 1.0 -134.46 -79.18 PHI 50 50 A 44 SER N A 44 SER CA A 44 SER C A 45 PHE N 1.0 125.95 138.47 PSI 51 51 A 49 GLY C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -109.89 -79.29 PHI 52 52 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 GLU N 1.0 124.17 143.11 PSI 53 53 A 50 VAL C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -137.29 -102.93 PHI 54 54 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 ILE N 1.0 122.38 143.12 PSI 55 55 A 51 GLU C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -123.73 -95.39 PHI 56 56 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 SER N 1.0 116.98 139.74 PSI 57 57 A 52 ILE C A 53 SER N A 53 SER CA A 53 SER C 1.0 -141.74 -106.68 PHI 58 58 A 53 SER N A 53 SER CA A 53 SER C A 54 GLY N 1.0 136.28 164.64 PSI 59 59 A 54 GLY C A 55 TYR N A 55 TYR CA A 55 TYR C 1.0 -112.07 -82.85 PHI 60 60 A 55 TYR N A 55 TYR CA A 55 TYR C A 56 ASP N 1.0 115.39 140.91 PSI 61 61 A 55 TYR C A 56 ASP N A 56 ASP CA A 56 ASP C 1.0 -114.86 -79.90 PHI 62 62 A 56 ASP N A 56 ASP CA A 56 ASP C A 57 ALA N 1.0 85.06 132.70 PSI 63 63 A 62 ARG C A 63 GLN N A 63 GLN CA A 63 GLN C 1.0 -117.11 -90.63 PHI 64 64 A 63 GLN N A 63 GLN CA A 63 GLN C A 64 THR N 1.0 120.88 143.56 PSI 65 65 A 65 LEU C A 66 THR N A 66 THR CA A 66 THR C 1.0 -132.60 -74.64 PHI 66 66 A 66 THR N A 66 THR CA A 66 THR C A 67 LEU N 1.0 106.35 152.11 PSI 67 67 A 66 THR C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -121.16 -93.34 PHI 68 68 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 HIS N 1.0 109.78 133.46 PSI 69 69 A 67 LEU C A 68 HIS N A 68 HIS CA A 68 HIS C 1.0 -121.94 -98.62 PHI 70 70 A 68 HIS N A 68 HIS CA A 68 HIS C A 69 TYR N 1.0 111.04 142.90 PSI 71 71 A 68 HIS C A 69 TYR N A 69 TYR CA A 69 TYR C 1.0 -140.05 -79.57 PHI 72 72 A 69 TYR N A 69 TYR CA A 69 TYR C A 70 GLN N 1.0 117.16 130.82 PSI 73 73 A 72 HIS C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -158.96 -115.92 PHI 74 74 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 VAL N 1.0 136.25 165.29 PSI 75 75 A 73 GLU C A 74 VAL N A 74 VAL CA A 74 VAL C 1.0 -153.47 -114.85 PHI 76 76 A 74 VAL N A 74 VAL CA A 74 VAL C A 75 SER N 1.0 116.81 151.23 PSI 77 77 A 74 VAL C A 75 SER N A 75 SER CA A 75 SER C 1.0 -139.08 -95.02 PHI 78 78 A 75 SER N A 75 SER CA A 75 SER C A 76 PHE N 1.0 134.42 159.04 PSI 79 79 A 75 SER C A 76 PHE N A 76 PHE CA A 76 PHE C 1.0 -169.23 -124.25 PHI 80 80 A 76 PHE N A 76 PHE CA A 76 PHE C A 77 ASP N 1.0 135.92 171.02 PSI 81 81 A 76 PHE C A 77 ASP N A 77 ASP CA A 77 ASP C 1.0 -131.60 -98.30 PHI 82 82 A 77 ASP N A 77 ASP CA A 77 ASP C A 78 VAL N 1.0 127.48 165.32 PSI 83 83 A 77 ASP C A 78 VAL N A 78 VAL CA A 78 VAL C 1.0 -139.45 -119.97 PHI 84 84 A 78 VAL N A 78 VAL CA A 78 VAL C A 79 LEU N 1.0 139.49 166.75 PSI 85 85 A 78 VAL C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -141.68 -98.90 PHI 86 86 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 VAL N 1.0 118.47 134.47 PSI 87 87 A 79 LEU C A 80 VAL N A 80 VAL CA A 80 VAL C 1.0 -127.99 -97.95 PHI 88 88 A 80 VAL N A 80 VAL CA A 80 VAL C A 81 SER N 1.0 117.51 135.99 PSI 89 89 A 86 LEU C A 87 ASN N A 87 ASN CA A 87 ASN C 1.0 -156.61 -81.35 PHI 90 90 A 87 ASN N A 87 ASN CA A 87 ASN C A 88 ASP N 1.0 126.13 147.77 PSI stop_ save_