data_nef_c11595_2rvc 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2RVC stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 SER middle . . 3 A 3 ALA middle . . 4 A 4 GLU middle . . 5 A 5 THR middle . . 6 A 6 GLN middle . . 7 A 7 MET middle . . 8 A 8 GLU middle . . 9 A 9 ARG middle . . 10 A 10 LYS middle . . 11 A 11 ILE middle . . 12 A 12 ILE middle . . 13 A 13 ASP middle . . 14 A 14 PHE middle . . 15 A 15 LEU middle . . 16 A 16 ARG middle . . 17 A 17 GLN middle . . 18 A 18 ASN middle . . 19 A 19 GLY middle . false 20 A 20 LYS middle . . 21 A 21 SER middle . . 22 A 22 ILE middle . . 23 A 23 ALA middle . . 24 A 24 LEU middle . . 25 A 25 THR middle . . 26 A 26 ILE middle . . 27 A 27 ALA middle . . 28 A 28 LYS middle . . 29 A 29 GLU middle . . 30 A 30 ILE middle . . 31 A 31 GLY middle . false 32 A 32 LEU middle . . 33 A 33 ASP middle . . 34 A 34 LYS middle . . 35 A 35 SER middle . . 36 A 36 THR middle . . 37 A 37 VAL middle . . 38 A 38 ASN middle . . 39 A 39 ARG middle . . 40 A 40 HIS middle . . 41 A 41 LEU middle . . 42 A 42 TYR middle . . 43 A 43 ASN middle . . 44 A 44 LEU middle . . 45 A 45 GLN middle . . 46 A 46 ARG middle . . 47 A 47 SER middle . . 48 A 48 ASN middle . . 49 A 49 GLN middle . . 50 A 50 VAL middle . . 51 A 51 PHE middle . . 52 A 52 ASN middle . . 53 A 53 SER middle . . 54 A 54 ASN middle . . 55 A 55 GLU middle . . 56 A 56 LYS middle . . 57 A 57 PRO middle . false 58 A 58 PRO middle . false 59 A 59 VAL middle . . 60 A 60 TRP middle . . 61 A 61 ASP middle . . 62 A 62 LEU middle . . 63 A 63 MET middle . . 64 A 64 GLU 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 3 ALA HA H 1 4.191 0.005 A 3 ALA HB% H 1 1.461 0.002 A 3 ALA CA C 13 54.665 0.077 A 3 ALA CB C 13 18.651 0.199 A 4 GLU H H 1 8.446 0.004 A 4 GLU HA H 1 4.152 0.016 A 4 GLU HBy H 1 2.359 0.001 A 4 GLU HBx H 1 2.118 0.005 A 4 GLU CA C 13 59.635 0.001 A 4 GLU CB C 13 29.917 0.003 A 4 GLU N N 15 118.659 0.024 A 5 THR H H 1 7.867 0.004 A 5 THR HA H 1 3.991 0.008 A 5 THR HB H 1 4.148 0.002 A 5 THR HG2% H 1 1.276 0.002 A 5 THR CA C 13 65.283 0.320 A 5 THR CB C 13 69.084 0.041 A 5 THR N N 15 115.363 0.294 A 6 GLN H H 1 8.209 0.003 A 6 GLN HA H 1 4.014 0.010 A 6 GLN HBx H 1 2.118 0.003 A 6 GLN HBy H 1 2.118 0.003 A 6 GLN HE2x H 1 6.885 0.002 A 6 GLN HE2y H 1 7.332 0.001 A 6 GLN HGx H 1 2.308 0.005 A 6 GLN HGy H 1 2.435 0.003 A 6 GLN CA C 13 59.149 0.120 A 6 GLN CB C 13 28.845 0.008 A 6 GLN CG C 13 34.066 0.007 A 6 GLN N N 15 120.675 0.110 A 6 GLN NE2 N 15 111.637 0.085 A 7 MET H H 1 7.874 0.005 A 7 MET HA H 1 4.169 0.005 A 7 MET HBx H 1 1.351 0.006 A 7 MET HBy H 1 1.826 0.002 A 7 MET HGx H 1 2.426 0.002 A 7 MET HGy H 1 2.470 0.009 A 7 MET CA C 13 57.721 0.122 A 7 MET CB C 13 31.582 0.195 A 7 MET CG C 13 32.684 0.261 A 7 MET N N 15 118.963 0.088 A 8 GLU H H 1 7.881 0.002 A 8 GLU HA H 1 3.441 0.007 A 8 GLU HBx H 1 1.949 0.004 A 8 GLU HBy H 1 2.268 0.006 A 8 GLU HGx H 1 2.039 0.002 A 8 GLU HGy H 1 2.432 0.005 A 8 GLU CA C 13 60.698 0.153 A 8 GLU CB C 13 29.787 0.143 A 8 GLU CG C 13 37.550 0.169 A 8 GLU N N 15 118.788 0.071 A 9 ARG H H 1 7.918 0.002 A 9 ARG HA H 1 3.904 0.002 A 9 ARG HBx H 1 1.931 0.001 A 9 ARG HBy H 1 1.931 0.001 A 9 ARG HDx H 1 3.163 0.002 A 9 ARG HDy H 1 3.163 0.002 A 9 ARG HGx H 1 1.749 0.002 A 9 ARG HGy H 1 1.749 0.002 A 9 ARG CA C 13 58.773 0.082 A 9 ARG CB C 13 29.524 0.182 A 9 ARG CD C 13 42.892 0.042 A 9 ARG CG C 13 26.764 0.023 A 9 ARG N N 15 116.604 0.104 A 10 LYS H H 1 7.681 0.023 A 10 LYS HA H 1 4.119 0.007 A 10 LYS HBy H 1 2.016 0.001 A 10 LYS HBx H 1 1.819 0.002 A 10 LYS HEx H 1 2.950 0.001 A 10 LYS HEy H 1 3.166 0.002 A 10 LYS HGx H 1 1.492 0.002 A 10 LYS HGy H 1 1.694 0.012 A 10 LYS CA C 13 59.679 0.101 A 10 LYS CB C 13 32.831 0.200 A 10 LYS CD C 13 29.347 0.005 A 10 LYS CE C 13 42.029 0.045 A 10 LYS CG C 13 25.621 0.259 A 10 LYS N N 15 119.137 0.066 A 11 ILE H H 1 7.709 0.002 A 11 ILE HA H 1 3.411 0.006 A 11 ILE HB H 1 1.830 0.002 A 11 ILE HD1% H 1 0.624 0.006 A 11 ILE HG1x H 1 1.674 0.002 A 11 ILE HG1y H 1 1.674 0.002 A 11 ILE HG2% H 1 0.748 0.007 A 11 ILE CA C 13 66.271 0.096 A 11 ILE CB C 13 38.204 0.024 A 11 ILE CD1 C 13 14.928 0.005 A 11 ILE CG1 C 13 30.057 0.005 A 11 ILE N N 15 121.244 0.055 A 12 ILE H H 1 8.029 0.006 A 12 ILE HA H 1 3.604 0.002 A 12 ILE HB H 1 2.014 0.005 A 12 ILE HD1% H 1 0.733 0.004 A 12 ILE HG1x H 1 1.246 0.003 A 12 ILE HG1y H 1 1.557 0.010 A 12 ILE HG2% H 1 0.957 0.001 A 12 ILE CA C 13 64.515 0.125 A 12 ILE CB C 13 37.198 0.195 A 12 ILE CD1 C 13 12.277 0.128 A 12 ILE CG1 C 13 28.307 0.170 A 12 ILE N N 15 120.829 0.067 A 13 ASP H H 1 8.645 0.003 A 13 ASP HA H 1 4.362 0.003 A 13 ASP HBx H 1 2.602 0.003 A 13 ASP HBy H 1 2.782 0.004 A 13 ASP CA C 13 57.822 0.002 A 13 ASP CB C 13 40.622 0.045 A 13 ASP N N 15 118.931 0.076 A 14 PHE H H 1 8.066 0.004 A 14 PHE HA H 1 4.076 0.003 A 14 PHE HBx H 1 3.152 0.006 A 14 PHE HBy H 1 3.276 0.003 A 14 PHE HDx H 1 7.067 0.008 A 14 PHE HDy H 1 7.067 0.008 A 14 PHE HEx H 1 7.272 0.001 A 14 PHE HEy H 1 7.272 0.001 A 14 PHE CA C 13 62.790 0.006 A 14 PHE CB C 13 39.346 0.010 A 14 PHE N N 15 121.052 0.039 A 15 LEU H H 1 8.354 0.001 A 15 LEU HA H 1 4.117 0.009 A 15 LEU HBx H 1 1.325 0.012 A 15 LEU HBy H 1 2.105 0.006 A 15 LEU HDx% H 1 1.026 0.001 A 15 LEU HDy% H 1 0.658 0.008 A 15 LEU HG H 1 1.975 0.004 A 15 LEU CA C 13 57.552 0.115 A 15 LEU CB C 13 42.400 0.128 A 15 LEU CDx C 13 23.035 0.005 A 15 LEU CG C 13 26.123 0.005 A 15 LEU N N 15 121.103 0.056 A 16 ARG H H 1 8.934 0.004 A 16 ARG HA H 1 3.838 0.003 A 16 ARG HBx H 1 1.963 0.002 A 16 ARG HBy H 1 1.963 0.002 A 16 ARG HDx H 1 3.230 0.002 A 16 ARG HDy H 1 3.230 0.002 A 16 ARG HGx H 1 1.590 0.002 A 16 ARG HGy H 1 1.715 0.002 A 16 ARG CA C 13 60.058 0.094 A 16 ARG CB C 13 30.155 0.138 A 16 ARG CD C 13 43.019 0.017 A 16 ARG CG C 13 27.795 0.005 A 16 ARG N N 15 122.293 0.088 A 17 GLN H H 1 7.709 0.005 A 17 GLN HA H 1 4.092 0.012 A 17 GLN HBx H 1 1.934 0.009 A 17 GLN HBy H 1 1.934 0.009 A 17 GLN HE2x H 1 6.795 0.002 A 17 GLN HE2y H 1 7.411 0.001 A 17 GLN HGx H 1 2.341 0.013 A 17 GLN HGy H 1 2.341 0.013 A 17 GLN CA C 13 57.884 0.026 A 17 GLN CB C 13 29.977 0.038 A 17 GLN N N 15 115.029 0.124 A 17 GLN NE2 N 15 111.581 0.040 A 18 ASN H H 1 8.310 0.005 A 18 ASN HA H 1 4.488 0.004 A 18 ASN HBy H 1 2.138 0.005 A 18 ASN HBx H 1 1.623 0.005 A 18 ASN HD2x H 1 6.120 0.003 A 18 ASN HD2y H 1 6.954 0.002 A 18 ASN CA C 13 54.530 0.134 A 18 ASN CB C 13 41.068 0.112 A 18 ASN N N 15 114.527 0.100 A 18 ASN ND2 N 15 117.713 0.082 A 19 GLY H H 1 7.933 0.003 A 19 GLY HAx H 1 3.909 0.003 A 19 GLY HAy H 1 4.210 0.004 A 19 GLY CA C 13 44.385 0.054 A 19 GLY N N 15 109.469 0.160 A 20 LYS H H 1 7.941 0.006 A 20 LYS HA H 1 4.647 0.003 A 20 LYS HBx H 1 1.642 0.006 A 20 LYS HBy H 1 1.642 0.006 A 20 LYS HDx H 1 1.258 0.002 A 20 LYS HDy H 1 1.258 0.002 A 20 LYS HEx H 1 2.989 0.002 A 20 LYS HEy H 1 2.989 0.002 A 20 LYS HGx H 1 1.447 0.007 A 20 LYS HGy H 1 1.447 0.007 A 20 LYS CA C 13 56.847 0.058 A 20 LYS CB C 13 32.271 0.005 A 20 LYS N N 15 117.664 0.036 A 21 SER H H 1 8.780 0.003 A 21 SER HA H 1 5.232 0.004 A 21 SER HBy H 1 3.881 0.003 A 21 SER HBx H 1 3.670 0.005 A 21 SER CA C 13 58.464 0.156 A 21 SER CB C 13 69.153 0.071 A 21 SER N N 15 117.273 0.055 A 22 ILE H H 1 8.548 0.005 A 22 ILE HA H 1 4.295 0.002 A 22 ILE HD1% H 1 0.748 0.002 A 22 ILE HG1x H 1 1.425 0.002 A 22 ILE HG1y H 1 1.425 0.002 A 22 ILE HG2% H 1 1.024 0.002 A 22 ILE CA C 13 61.026 0.002 A 22 ILE CB C 13 39.422 0.002 A 22 ILE N N 15 117.965 0.044 A 23 ALA H H 1 9.924 0.003 A 23 ALA HA H 1 3.759 0.007 A 23 ALA HB% H 1 1.401 0.005 A 23 ALA CA C 13 56.410 0.053 A 23 ALA CB C 13 18.996 0.040 A 23 ALA N N 15 126.307 0.162 A 24 LEU H H 1 8.705 0.003 A 24 LEU HA H 1 3.871 0.004 A 24 LEU HBx H 1 1.623 0.002 A 24 LEU HBy H 1 1.662 0.008 A 24 LEU HDx% H 1 0.633 0.002 A 24 LEU HDy% H 1 0.774 0.003 A 24 LEU HG H 1 1.011 0.002 A 24 LEU CA C 13 58.778 0.004 A 24 LEU CB C 13 42.894 0.014 A 24 LEU N N 15 116.933 0.054 A 25 THR H H 1 6.930 0.006 A 25 THR HA H 1 3.867 0.006 A 25 THR HB H 1 4.297 0.003 A 25 THR HG1 H 1 5.236 0.002 A 25 THR HG2% H 1 1.409 0.007 A 25 THR CA C 13 66.066 0.032 A 25 THR CB C 13 69.173 0.179 A 25 THR CG2 C 13 22.731 0.214 A 25 THR N N 15 115.406 0.074 A 26 ILE H H 1 7.160 0.002 A 26 ILE HA H 1 3.788 0.070 A 26 ILE HB H 1 1.697 0.009 A 26 ILE HD1% H 1 0.633 0.003 A 26 ILE HG1y H 1 1.747 0.002 A 26 ILE HG1x H 1 0.784 0.005 A 26 ILE HG2% H 1 0.476 0.006 A 26 ILE CA C 13 65.394 0.012 A 26 ILE CB C 13 38.824 0.084 A 26 ILE CD1 C 13 13.959 0.049 A 26 ILE CG1 C 13 27.410 0.246 A 26 ILE CG2 C 13 18.012 0.223 A 26 ILE N N 15 119.577 0.040 A 27 ALA H H 1 8.301 0.003 A 27 ALA HA H 1 3.577 0.004 A 27 ALA HB% H 1 1.349 0.005 A 27 ALA CA C 13 56.054 0.144 A 27 ALA CB C 13 17.715 0.178 A 27 ALA N N 15 118.316 0.097 A 28 LYS H H 1 7.791 0.004 A 28 LYS HA H 1 3.971 0.004 A 28 LYS HBx H 1 1.951 0.008 A 28 LYS HBy H 1 1.951 0.008 A 28 LYS HGx H 1 1.415 0.002 A 28 LYS HGy H 1 1.415 0.002 A 28 LYS CA C 13 59.108 0.106 A 28 LYS CB C 13 32.808 0.139 A 28 LYS N N 15 116.377 0.059 A 29 GLU H H 1 7.699 0.001 A 29 GLU HA H 1 4.151 0.010 A 29 GLU HBx H 1 1.651 0.003 A 29 GLU HBy H 1 1.982 0.013 A 29 GLU HGx H 1 2.425 0.006 A 29 GLU HGy H 1 2.425 0.006 A 29 GLU CA C 13 58.624 0.035 A 29 GLU CB C 13 30.296 0.123 A 29 GLU CG C 13 36.047 0.230 A 29 GLU N N 15 116.890 0.074 A 30 ILE H H 1 7.942 0.002 A 30 ILE HA H 1 4.403 0.002 A 30 ILE HB H 1 1.872 0.003 A 30 ILE HD1% H 1 0.525 0.006 A 30 ILE HG1x H 1 1.098 0.006 A 30 ILE HG1y H 1 1.313 0.008 A 30 ILE HG2% H 1 0.755 0.005 A 30 ILE CA C 13 61.564 0.124 A 30 ILE CB C 13 38.507 0.201 A 30 ILE CD1 C 13 15.184 0.216 A 30 ILE CG1 C 13 26.010 0.177 A 30 ILE CG2 C 13 16.788 0.206 A 30 ILE N N 15 111.697 0.161 A 31 GLY H H 1 7.686 0.003 A 31 GLY HAx H 1 3.818 0.003 A 31 GLY HAy H 1 3.993 0.007 A 31 GLY CA C 13 46.907 0.051 A 31 GLY N N 15 110.145 0.183 A 32 LEU H H 1 7.750 0.001 A 32 LEU HA H 1 3.578 0.002 A 32 LEU HBx H 1 1.204 0.003 A 32 LEU HBy H 1 1.486 0.011 A 32 LEU HDx% H 1 0.825 0.003 A 32 LEU HDy% H 1 0.941 0.003 A 32 LEU HG H 1 1.534 0.010 A 32 LEU CA C 13 52.563 0.182 A 32 LEU CB C 13 47.401 0.170 A 32 LEU CDy C 13 25.208 0.007 A 32 LEU CDx C 13 23.559 0.087 A 32 LEU CG C 13 27.119 0.055 A 32 LEU N N 15 120.320 0.048 A 33 ASP H H 1 8.044 0.003 A 33 ASP HA H 1 4.576 0.002 A 33 ASP HBx H 1 2.666 0.001 A 33 ASP HBy H 1 2.851 0.007 A 33 ASP CA C 13 53.672 0.116 A 33 ASP CB C 13 42.421 0.078 A 33 ASP N N 15 118.181 0.016 A 34 LYS H H 1 8.875 0.002 A 34 LYS HA H 1 3.588 0.005 A 34 LYS HBx H 1 1.776 0.002 A 34 LYS HBy H 1 1.776 0.002 A 34 LYS HGx H 1 1.388 0.002 A 34 LYS HGy H 1 1.388 0.002 A 34 LYS CA C 13 60.635 0.161 A 34 LYS CB C 13 32.271 0.021 A 34 LYS CG C 13 24.422 0.005 A 34 LYS N N 15 122.963 0.024 A 35 SER H H 1 8.534 0.003 A 35 SER HA H 1 3.933 0.005 A 35 SER HBx H 1 4.241 0.007 A 35 SER HBy H 1 4.241 0.007 A 35 SER CA C 13 59.988 0.005 A 35 SER CB C 13 62.126 0.083 A 35 SER N N 15 114.542 0.105 A 36 THR H H 1 7.862 0.002 A 36 THR HA H 1 3.812 0.009 A 36 THR HB H 1 4.202 0.004 A 36 THR HG2% H 1 1.283 0.004 A 36 THR CA C 13 66.786 0.066 A 36 THR CB C 13 68.266 0.394 A 36 THR CG2 C 13 22.857 0.005 A 36 THR N N 15 121.734 0.091 A 37 VAL H H 1 7.866 0.004 A 37 VAL HA H 1 3.376 0.002 A 37 VAL HB H 1 1.965 0.002 A 37 VAL HGx% H 1 0.758 0.001 A 37 VAL HGy% H 1 0.772 0.002 A 37 VAL CA C 13 67.951 0.045 A 37 VAL CB C 13 31.527 0.200 A 37 VAL CGy C 13 24.770 0.103 A 37 VAL CGx C 13 21.319 0.031 A 37 VAL N N 15 120.904 0.097 A 38 ASN H H 1 8.313 0.004 A 38 ASN HA H 1 4.267 0.007 A 38 ASN HBx H 1 2.614 0.004 A 38 ASN HBy H 1 2.800 0.005 A 38 ASN HD2y H 1 7.359 0.002 A 38 ASN HD2x H 1 6.720 0.004 A 38 ASN CA C 13 56.098 0.012 A 38 ASN CB C 13 37.945 0.033 A 38 ASN N N 15 117.527 0.140 A 38 ASN ND2 N 15 108.115 0.033 A 39 ARG H H 1 7.557 0.003 A 39 ARG HA H 1 3.982 0.002 A 39 ARG HBx H 1 1.799 0.006 A 39 ARG HBy H 1 1.799 0.006 A 39 ARG HDx H 1 3.069 0.004 A 39 ARG HDy H 1 3.155 0.008 A 39 ARG HGx H 1 1.309 0.012 A 39 ARG HGy H 1 1.589 0.003 A 39 ARG CA C 13 59.980 0.116 A 39 ARG CB C 13 29.810 0.144 A 39 ARG CD C 13 43.605 0.094 A 39 ARG CG C 13 27.654 0.003 A 39 ARG N N 15 120.346 0.049 A 40 HIS H H 1 7.570 0.002 A 40 HIS HA H 1 4.519 0.004 A 40 HIS HBx H 1 2.662 0.002 A 40 HIS HBy H 1 2.938 0.004 A 40 HIS HD2 H 1 6.527 0.003 A 40 HIS CA C 13 59.882 0.123 A 40 HIS CB C 13 31.338 0.121 A 40 HIS N N 15 116.933 0.064 A 41 LEU H H 1 8.598 0.001 A 41 LEU HA H 1 3.500 0.004 A 41 LEU HBx H 1 -0.908 0.006 A 41 LEU HBy H 1 1.019 0.004 A 41 LEU HDx% H 1 -0.501 0.004 A 41 LEU HDy% H 1 0.043 0.008 A 41 LEU HG H 1 1.176 0.003 A 41 LEU CA C 13 58.571 0.098 A 41 LEU CB C 13 39.445 0.203 A 41 LEU CDy C 13 24.413 0.112 A 41 LEU CDx C 13 21.538 0.120 A 41 LEU CG C 13 26.163 0.068 A 41 LEU N N 15 121.092 0.040 A 42 TYR H H 1 8.234 0.002 A 42 TYR HA H 1 4.385 0.002 A 42 TYR HBx H 1 3.060 0.001 A 42 TYR HBy H 1 3.194 0.007 A 42 TYR HDx H 1 7.329 0.001 A 42 TYR HDy H 1 7.329 0.001 A 42 TYR CA C 13 61.734 0.156 A 42 TYR CB C 13 37.058 0.153 A 42 TYR N N 15 117.276 0.091 A 43 ASN H H 1 7.814 0.004 A 43 ASN HA H 1 4.536 0.005 A 43 ASN HBx H 1 2.982 0.003 A 43 ASN HBy H 1 3.140 0.005 A 43 ASN HD2y H 1 8.607 0.003 A 43 ASN HD2x H 1 6.775 0.001 A 43 ASN CA C 13 56.603 0.102 A 43 ASN CB C 13 37.780 0.140 A 43 ASN N N 15 120.795 0.065 A 43 ASN ND2 N 15 113.835 0.076 A 44 LEU H H 1 8.780 0.005 A 44 LEU HA H 1 4.183 0.007 A 44 LEU HBx H 1 1.203 0.007 A 44 LEU HBy H 1 2.054 0.006 A 44 LEU HDx% H 1 0.696 0.004 A 44 LEU HDy% H 1 0.784 0.003 A 44 LEU HG H 1 1.835 0.004 A 44 LEU CA C 13 57.311 0.096 A 44 LEU CB C 13 43.783 0.125 A 44 LEU CDy C 13 25.101 0.022 A 44 LEU CDx C 13 23.661 0.005 A 44 LEU CG C 13 27.160 0.005 A 44 LEU N N 15 123.046 0.124 A 45 GLN H H 1 8.909 0.003 A 45 GLN HA H 1 4.503 0.010 A 45 GLN HBx H 1 2.314 0.012 A 45 GLN HBy H 1 2.694 0.010 A 45 GLN HE2x H 1 6.782 0.004 A 45 GLN HE2y H 1 7.804 0.003 A 45 GLN HGx H 1 2.580 0.005 A 45 GLN HGy H 1 2.734 0.004 A 45 GLN CA C 13 59.349 0.005 A 45 GLN CB C 13 29.739 0.052 A 45 GLN CG C 13 34.199 0.061 A 45 GLN N N 15 124.963 0.077 A 45 GLN NE2 N 15 110.445 0.069 A 46 ARG H H 1 8.079 0.003 A 46 ARG HA H 1 4.233 0.003 A 46 ARG HBx H 1 2.074 0.005 A 46 ARG HBy H 1 2.074 0.005 A 46 ARG HDx H 1 3.269 0.002 A 46 ARG HDy H 1 3.269 0.002 A 46 ARG HE H 1 6.605 0.001 A 46 ARG HGx H 1 1.753 0.003 A 46 ARG HGy H 1 1.922 0.016 A 46 ARG CA C 13 59.342 0.180 A 46 ARG CB C 13 30.145 0.175 A 46 ARG CD C 13 43.444 0.034 A 46 ARG CG C 13 28.258 0.244 A 46 ARG N N 15 122.599 0.080 A 47 SER H H 1 7.574 0.004 A 47 SER HA H 1 4.652 0.002 A 47 SER HBy H 1 4.214 0.006 A 47 SER HBx H 1 3.959 0.008 A 47 SER CA C 13 57.833 0.108 A 47 SER CB C 13 63.050 0.161 A 47 SER N N 15 110.733 0.173 A 48 ASN H H 1 8.209 0.004 A 48 ASN HA H 1 4.626 0.002 A 48 ASN HBy H 1 3.164 0.001 A 48 ASN HBx H 1 2.920 0.006 A 48 ASN HD2x H 1 6.838 0.002 A 48 ASN HD2y H 1 7.532 0.002 A 48 ASN CA C 13 55.041 0.126 A 48 ASN CB C 13 37.448 0.088 A 48 ASN N N 15 116.340 0.054 A 48 ASN ND2 N 15 111.975 0.011 A 49 GLN H H 1 8.611 0.004 A 49 GLN HA H 1 4.619 0.001 A 49 GLN HBx H 1 1.942 0.002 A 49 GLN HBy H 1 2.242 0.005 A 49 GLN HE2x H 1 6.791 0.002 A 49 GLN HE2y H 1 7.801 0.002 A 49 GLN CA C 13 57.682 0.059 A 49 GLN CB C 13 32.258 0.019 A 49 GLN N N 15 111.815 0.150 A 49 GLN NE2 N 15 110.499 0.005 A 50 VAL H H 1 7.271 0.003 A 50 VAL HA H 1 5.499 0.005 A 50 VAL HB H 1 2.415 0.003 A 50 VAL HGx% H 1 0.770 0.003 A 50 VAL HGy% H 1 0.780 0.002 A 50 VAL CA C 13 58.630 0.088 A 50 VAL CB C 13 36.763 0.176 A 50 VAL CGy C 13 22.157 0.049 A 50 VAL CGx C 13 20.292 0.059 A 50 VAL N N 15 109.293 0.140 A 51 PHE H H 1 9.129 0.002 A 51 PHE HA H 1 5.179 0.005 A 51 PHE HBx H 1 3.168 0.007 A 51 PHE HBy H 1 3.223 0.012 A 51 PHE HDx H 1 6.902 0.002 A 51 PHE HDy H 1 6.902 0.002 A 51 PHE HEx H 1 7.085 0.004 A 51 PHE HEy H 1 7.085 0.004 A 51 PHE CA C 13 56.366 0.073 A 51 PHE CB C 13 42.614 0.031 A 51 PHE N N 15 117.699 0.066 A 52 ASN H H 1 8.326 0.005 A 52 ASN HA H 1 4.909 0.006 A 52 ASN HBx H 1 0.388 0.002 A 52 ASN HBy H 1 1.514 0.006 A 52 ASN HD2x H 1 6.692 0.007 A 52 ASN CA C 13 51.202 0.129 A 52 ASN CB C 13 40.744 0.191 A 52 ASN N N 15 115.873 0.122 A 52 ASN ND2 N 15 113.789 0.023 A 53 SER H H 1 8.083 0.003 A 53 SER HA H 1 4.679 0.007 A 53 SER HBx H 1 3.834 0.005 A 53 SER HBy H 1 4.116 0.002 A 53 SER CA C 13 56.919 0.082 A 53 SER CB C 13 64.144 0.147 A 53 SER N N 15 115.284 0.065 A 54 ASN H H 1 8.817 0.007 A 54 ASN HA H 1 4.484 0.007 A 54 ASN HBx H 1 2.767 0.003 A 54 ASN HBy H 1 2.985 0.001 A 54 ASN HD2x H 1 6.830 0.002 A 54 ASN HD2y H 1 7.527 0.002 A 54 ASN CA C 13 54.053 0.056 A 54 ASN CB C 13 37.918 0.013 A 54 ASN N N 15 116.294 0.100 A 54 ASN ND2 N 15 112.401 0.035 A 55 GLU H H 1 7.771 0.007 A 55 GLU HA H 1 4.138 0.003 A 55 GLU HBx H 1 1.846 0.005 A 55 GLU HBy H 1 1.985 0.002 A 55 GLU HGy H 1 2.254 0.001 A 55 GLU HGx H 1 2.122 0.002 A 55 GLU CA C 13 56.497 0.096 A 55 GLU CB C 13 31.565 0.179 A 55 GLU CG C 13 37.175 0.126 A 55 GLU N N 15 117.973 0.077 A 56 LYS H H 1 8.137 0.005 A 56 LYS HA H 1 4.681 0.002 A 56 LYS HBx H 1 1.688 0.002 A 56 LYS HBy H 1 1.688 0.002 A 56 LYS HGx H 1 1.252 0.007 A 56 LYS HGy H 1 1.356 0.003 A 56 LYS CA C 13 52.632 0.113 A 56 LYS CB C 13 33.879 0.100 A 56 LYS CG C 13 24.821 0.093 A 56 LYS N N 15 118.797 0.039 A 58 PRO CA C 13 63.933 0.005 A 58 PRO CB C 13 32.239 0.005 A 59 VAL H H 1 7.586 0.004 A 59 VAL HA H 1 3.902 0.007 A 59 VAL HB H 1 1.751 0.003 A 59 VAL HGx% H 1 0.718 0.006 A 59 VAL HGy% H 1 0.781 0.005 A 59 VAL CA C 13 61.633 0.127 A 59 VAL CB C 13 32.422 0.103 A 59 VAL CGy C 13 22.425 0.077 A 59 VAL CGx C 13 21.333 0.019 A 59 VAL N N 15 120.888 0.093 A 60 TRP H H 1 8.773 0.002 A 60 TRP HA H 1 4.873 0.006 A 60 TRP HBy H 1 3.069 0.002 A 60 TRP HBx H 1 2.784 0.008 A 60 TRP HD1 H 1 7.186 0.018 A 60 TRP HE1 H 1 10.179 0.003 A 60 TRP CA C 13 56.713 0.031 A 60 TRP CB C 13 31.297 0.001 A 60 TRP N N 15 131.049 0.210 A 60 TRP NE1 N 15 129.907 0.075 A 61 ASP H H 1 8.251 0.004 A 61 ASP HA H 1 4.901 0.016 A 61 ASP HBx H 1 2.192 0.002 A 61 ASP HBy H 1 2.230 0.013 A 61 ASP CA C 13 51.649 0.177 A 61 ASP CB C 13 45.036 0.124 A 61 ASP N N 15 116.422 0.077 A 62 LEU H H 1 9.059 0.005 A 62 LEU HA H 1 4.617 0.002 A 62 LEU HBx H 1 1.671 0.008 A 62 LEU HBy H 1 1.671 0.008 A 62 LEU CA C 13 55.001 0.014 A 62 LEU CB C 13 43.473 0.037 A 62 LEU N N 15 120.209 0.031 A 63 MET H H 1 7.603 0.007 A 63 MET HA H 1 4.493 0.001 A 63 MET HBx H 1 1.667 0.003 A 63 MET HBy H 1 1.667 0.003 A 63 MET CA C 13 56.018 0.005 A 63 MET CB C 13 33.414 0.034 A 63 MET N N 15 120.182 0.029 A 64 GLU H H 1 8.453 0.004 A 64 GLU HA H 1 4.351 0.001 A 64 GLU HBx H 1 2.009 0.008 A 64 GLU HBy H 1 2.009 0.008 A 64 GLU HGx H 1 2.210 0.005 A 64 GLU HGy H 1 2.210 0.005 A 64 GLU CA C 13 56.660 0.005 A 64 GLU CB C 13 30.780 0.025 A 64 GLU CG C 13 36.679 0.005 A 64 GLU N N 15 121.939 0.136 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 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 ALA HB% A 4 GLU H 1.0 1.8 4.19 2 2 A 3 ALA HA A 4 GLU HBx 1.0 1.8 4.19 3 2 A 3 ALA HA A 4 GLU HBy 1.0 1.8 4.19 4 3 A 4 GLU H A 4 GLU HBy 1.0 1.8 4.09 5 4 A 4 GLU H A 4 GLU HBx 1.0 1.8 4.09 6 5 A 4 GLU H A 4 GLU HBx 1.0 1.8 3.49 7 5 A 4 GLU H A 4 GLU HBy 1.0 1.8 3.49 8 6 A 5 THR H A 4 GLU HBx 1.0 1.8 3.53 9 6 A 4 GLU HBy A 5 THR H 1.0 1.8 3.53 10 7 A 4 GLU H A 5 THR H 1.0 1.8 4.99 11 8 A 4 GLU HA A 6 GLN H 1.0 1.8 4.61 12 9 A 5 THR HA A 5 THR HG2% 1.0 1.8 3.95 13 10 A 5 THR H A 5 THR HB 1.0 1.8 4.15 14 11 A 5 THR H A 5 THR HG2% 1.0 1.8 3.87 15 12 A 5 THR H A 6 GLN H 1.0 1.8 4.41 16 13 A 6 GLN H A 5 THR HB 1.0 1.8 4.85 17 14 A 6 GLN H A 5 THR HA 1.0 1.8 4.50 18 15 A 6 GLN H A 5 THR HG2% 1.0 1.8 4.76 19 16 A 5 THR H A 6 GLN HBx 1.0 1.8 4.84 20 16 A 5 THR H A 6 GLN HBy 1.0 1.8 4.84 21 17 A 5 THR HA A 8 GLU H 1.0 1.8 4.50 22 18 A 6 GLN H A 6 GLN HGx 1.0 1.8 5.02 23 19 A 6 GLN H A 6 GLN HGy 1.0 1.8 5.02 24 20 A 6 GLN H A 6 GLN HGy 1.0 1.8 4.35 25 20 A 6 GLN H A 6 GLN HGx 1.0 1.8 4.35 26 21 A 7 MET H A 6 GLN HBx 1.0 1.8 3.62 27 21 A 6 GLN HBy A 7 MET H 1.0 1.8 3.62 28 22 A 7 MET H A 6 GLN HA 1.0 1.8 4.50 29 23 A 6 GLN H A 7 MET H 1.0 1.8 4.74 30 24 A 6 GLN H A 9 ARG H 1.0 1.8 5.44 31 25 A 6 GLN HA A 9 ARG H 1.0 1.8 4.50 32 26 A 7 MET H A 7 MET HGx 1.0 1.8 4.04 33 27 A 7 MET H A 7 MET HGy 1.0 1.8 4.04 34 28 A 7 MET H A 7 MET HBx 1.0 1.8 3.87 35 29 A 7 MET H A 7 MET HBy 1.0 1.8 3.87 36 30 A 7 MET H A 7 MET HGy 1.0 1.8 3.44 37 30 A 7 MET H A 7 MET HGx 1.0 1.8 3.44 38 31 A 7 MET HA A 7 MET HGy 1.0 1.8 3.74 39 31 A 7 MET HGx A 7 MET HA 1.0 1.8 3.74 40 32 A 8 GLU H A 7 MET HBx 1.0 1.8 4.35 41 33 A 8 GLU H A 7 MET HA 1.0 1.8 4.50 42 34 A 8 GLU H A 7 MET HBy 1.0 1.8 4.35 43 35 A 8 GLU HA A 7 MET HBy 1.0 1.8 4.55 44 35 A 7 MET HBx A 8 GLU HA 1.0 1.8 4.55 45 36 A 8 GLU H A 7 MET H 1.0 1.8 3.28 46 37 A 9 ARG H A 7 MET HA 1.0 1.8 4.26 47 38 A 7 MET HA A 10 LYS H 1.0 1.8 4.50 48 39 A 8 GLU HA A 8 GLU HGx 1.0 1.8 4.25 49 40 A 8 GLU HA A 8 GLU HGy 1.0 1.8 4.25 50 41 A 8 GLU H A 8 GLU HGy 1.0 1.8 4.64 51 42 A 8 GLU H A 8 GLU HGx 1.0 1.8 4.64 52 43 A 8 GLU H A 8 GLU HBx 1.0 1.8 3.88 53 44 A 8 GLU H A 8 GLU HBy 1.0 1.8 3.88 54 45 A 8 GLU H A 8 GLU HBy 1.0 1.8 3.01 55 45 A 8 GLU H A 8 GLU HBx 1.0 1.8 3.01 56 46 A 8 GLU H A 8 GLU HGy 1.0 1.8 4.04 57 46 A 8 GLU H A 8 GLU HGx 1.0 1.8 4.04 58 47 A 8 GLU HA A 8 GLU HGy 1.0 1.8 3.69 59 47 A 8 GLU HA A 8 GLU HGx 1.0 1.8 3.69 60 48 A 9 ARG H A 8 GLU HBy 1.0 1.8 3.08 61 48 A 9 ARG H A 8 GLU HBx 1.0 1.8 3.08 62 49 A 9 ARG H A 8 GLU HA 1.0 1.8 4.50 63 50 A 8 GLU H A 9 ARG H 1.0 1.8 3.28 64 51 A 10 LYS H A 8 GLU HBy 1.0 1.8 5.29 65 51 A 10 LYS H A 8 GLU HBx 1.0 1.8 5.29 66 52 A 8 GLU H A 10 LYS H 1.0 1.8 4.23 67 53 A 8 GLU HA A 10 LYS H 1.0 1.8 4.41 68 54 A 8 GLU H A 10 LYS HEx 1.0 1.8 5.05 69 54 A 8 GLU H A 10 LYS HEy 1.0 1.8 5.05 70 55 A 8 GLU HA A 11 ILE HD1% 1.0 1.8 4.23 71 56 A 8 GLU HA A 11 ILE H 1.0 1.8 4.50 72 57 A 44 LEU H A 8 GLU HGy 1.0 1.8 5.34 73 57 A 8 GLU HGx A 44 LEU H 1.0 1.8 5.34 74 58 A 8 GLU H A 44 LEU HDx% 1.0 1.8 5.33 75 59 A 8 GLU H A 44 LEU HDy% 1.0 1.8 5.33 76 60 A 9 ARG HA A 9 ARG HDx 1.0 1.8 4.32 77 60 A 9 ARG HA A 9 ARG HDy 1.0 1.8 4.32 78 61 A 9 ARG H A 9 ARG HDx 1.0 1.8 4.79 79 61 A 9 ARG H A 9 ARG HDy 1.0 1.8 4.79 80 62 A 10 LYS H A 9 ARG HDx 1.0 1.8 5.50 81 62 A 10 LYS H A 9 ARG HDy 1.0 1.8 5.50 82 63 A 10 LYS H A 9 ARG HA 1.0 1.8 4.50 83 64 A 9 ARG H A 10 LYS H 1.0 1.8 3.32 84 65 A 11 ILE H A 9 ARG HA 1.0 1.8 4.40 85 66 A 9 ARG H A 11 ILE H 1.0 1.8 4.91 86 67 A 9 ARG HA A 12 ILE HD1% 1.0 1.8 4.40 87 68 A 12 ILE HG1x A 9 ARG HDx 1.0 1.8 4.43 88 68 A 9 ARG HDy A 12 ILE HG1x 1.0 1.8 4.43 89 69 A 9 ARG HA A 12 ILE H 1.0 1.8 3.51 90 70 A 9 ARG H A 12 ILE HG1x 1.0 1.8 5.50 91 71 A 9 ARG HA A 12 ILE HB 1.0 1.8 5.13 92 72 A 13 ASP H A 9 ARG HDx 1.0 1.8 5.16 93 72 A 9 ARG HDy A 13 ASP H 1.0 1.8 5.16 94 73 A 9 ARG HA A 13 ASP H 1.0 1.8 4.67 95 74 A 10 LYS HA A 10 LYS HGy 1.0 1.8 3.97 96 75 A 10 LYS HA A 10 LYS HGx 1.0 1.8 3.97 97 76 A 10 LYS H A 10 LYS HBy 1.0 1.8 2.95 98 76 A 10 LYS H A 10 LYS HBx 1.0 1.8 2.95 99 77 A 10 LYS H A 10 LYS HGy 1.0 1.8 2.94 100 77 A 10 LYS H A 10 LYS HGx 1.0 1.8 2.94 101 78 A 10 LYS H A 10 LYS HEx 1.0 1.8 4.39 102 78 A 10 LYS H A 10 LYS HEy 1.0 1.8 4.39 103 79 A 10 LYS HA A 10 LYS HGy 1.0 1.8 3.46 104 79 A 10 LYS HA A 10 LYS HGx 1.0 1.8 3.46 105 80 A 11 ILE H A 10 LYS HGx 1.0 1.8 5.50 106 81 A 11 ILE H A 10 LYS HA 1.0 1.8 4.50 107 82 A 11 ILE H A 10 LYS HGy 1.0 1.8 4.81 108 82 A 11 ILE H A 10 LYS HGx 1.0 1.8 4.81 109 83 A 11 ILE HG2% A 10 LYS HEx 1.0 1.8 5.31 110 83 A 10 LYS HEy A 11 ILE HG2% 1.0 1.8 5.31 111 84 A 11 ILE H A 10 LYS HBy 1.0 1.8 4.00 112 84 A 11 ILE H A 10 LYS HBx 1.0 1.8 4.00 113 85 A 11 ILE H A 10 LYS HGy 1.0 1.8 5.50 114 86 A 10 LYS H A 11 ILE HD1% 1.0 1.8 5.13 115 87 A 10 LYS H A 11 ILE HG2% 1.0 1.8 4.51 116 88 A 10 LYS H A 11 ILE H 1.0 1.8 3.28 117 89 A 10 LYS H A 12 ILE H 1.0 1.8 4.60 118 90 A 12 ILE H A 10 LYS HA 1.0 1.8 4.77 119 91 A 13 ASP H A 10 LYS HA 1.0 1.8 3.60 120 92 A 10 LYS H A 13 ASP H 1.0 1.8 4.98 121 93 A 10 LYS HA A 13 ASP HBy 1.0 1.8 3.86 122 93 A 10 LYS HA A 13 ASP HBx 1.0 1.8 3.86 123 94 A 13 ASP H A 10 LYS HBy 1.0 1.8 5.34 124 94 A 13 ASP H A 10 LYS HBx 1.0 1.8 5.34 125 95 A 11 ILE H A 11 ILE HB 1.0 1.8 3.97 126 96 A 11 ILE HD1% A 11 ILE HB 1.0 1.8 3.45 127 97 A 11 ILE HD1% A 11 ILE HA 1.0 1.8 5.33 128 98 A 11 ILE HD1% A 11 ILE H 1.0 1.8 3.30 129 99 A 11 ILE H A 11 ILE HG2% 1.0 1.8 3.98 130 100 A 11 ILE H A 11 ILE HG1x 1.0 1.8 3.32 131 100 A 11 ILE H A 11 ILE HG1y 1.0 1.8 3.32 132 101 A 12 ILE HG2% A 11 ILE HG1x 1.0 1.8 3.65 133 101 A 11 ILE HG1y A 12 ILE HG2% 1.0 1.8 3.65 134 102 A 11 ILE H A 12 ILE H 1.0 1.8 3.28 135 103 A 12 ILE H A 11 ILE HA 1.0 1.8 4.50 136 104 A 11 ILE H A 12 ILE HG1x 1.0 1.8 5.49 137 105 A 11 ILE H A 12 ILE HG1y 1.0 1.8 4.81 138 106 A 12 ILE H A 11 ILE HG2% 1.0 1.8 3.86 139 107 A 12 ILE H A 11 ILE HG2% 1.0 1.8 3.86 140 108 A 12 ILE H A 11 ILE HB 1.0 1.8 3.68 141 109 A 12 ILE H A 11 ILE HG1x 1.0 1.8 3.94 142 109 A 12 ILE H A 11 ILE HG1y 1.0 1.8 3.94 143 110 A 11 ILE H A 12 ILE HG2% 1.0 1.8 4.74 144 111 A 11 ILE HD1% A 12 ILE H 1.0 1.8 4.04 145 112 A 11 ILE H A 13 ASP H 1.0 1.8 4.22 146 113 A 13 ASP H A 11 ILE HA 1.0 1.8 4.67 147 114 A 13 ASP H A 11 ILE HB 1.0 1.8 5.50 148 115 A 13 ASP H A 11 ILE HG1x 1.0 1.8 4.32 149 115 A 13 ASP H A 11 ILE HG1y 1.0 1.8 4.32 150 116 A 11 ILE HA A 14 PHE H 1.0 1.8 4.40 151 117 A 11 ILE HD1% A 37 VAL HA 1.0 1.8 4.87 152 118 A 11 ILE HD1% A 40 HIS HBx 1.0 1.8 4.03 153 119 A 11 ILE HD1% A 40 HIS HBy 1.0 1.8 3.92 154 120 A 12 ILE H A 12 ILE HB 1.0 1.8 3.63 155 121 A 12 ILE H A 12 ILE HG1y 1.0 1.8 3.23 156 122 A 12 ILE HG1x A 12 ILE H 1.0 1.8 3.46 157 123 A 12 ILE H A 12 ILE HG2% 1.0 1.8 3.30 158 124 A 12 ILE HD1% A 12 ILE HB 1.0 1.8 4.04 159 125 A 12 ILE HD1% A 12 ILE HG2% 1.0 1.8 3.18 160 126 A 12 ILE HD1% A 12 ILE HA 1.0 1.8 3.72 161 127 A 12 ILE HD1% A 12 ILE H 1.0 1.8 4.17 162 128 A 12 ILE HG2% A 12 ILE HA 1.0 1.8 3.48 163 129 A 12 ILE HG2% A 13 ASP HA 1.0 1.8 5.46 164 130 A 13 ASP H A 12 ILE HA 1.0 1.8 4.50 165 131 A 12 ILE HB A 13 ASP H 1.0 1.8 4.51 166 132 A 13 ASP H A 12 ILE HG1y 1.0 1.8 4.20 167 133 A 12 ILE HG1x A 13 ASP H 1.0 1.8 4.27 168 134 A 13 ASP H A 12 ILE HG2% 1.0 1.8 4.04 169 135 A 12 ILE H A 13 ASP H 1.0 1.8 3.39 170 136 A 12 ILE HD1% A 13 ASP H 1.0 1.8 4.16 171 137 A 12 ILE HA A 15 LEU H 1.0 1.8 3.85 172 138 A 12 ILE HD1% A 16 ARG HBx 1.0 1.8 4.36 173 138 A 12 ILE HD1% A 16 ARG HBy 1.0 1.8 4.36 174 139 A 12 ILE HG1y A 16 ARG HDx 1.0 1.8 4.30 175 139 A 12 ILE HG1y A 16 ARG HDy 1.0 1.8 4.30 176 140 A 12 ILE HA A 16 ARG H 1.0 1.8 4.33 177 141 A 12 ILE HD1% A 17 GLN H 1.0 1.8 5.50 178 142 A 12 ILE HD1% A 20 LYS HBx 1.0 1.8 4.15 179 142 A 12 ILE HD1% A 20 LYS HBy 1.0 1.8 4.15 180 143 A 12 ILE HD1% A 20 LYS H 1.0 1.8 5.34 181 144 A 13 ASP H A 13 ASP HBx 1.0 1.8 3.27 182 145 A 13 ASP H A 13 ASP HBy 1.0 1.8 3.27 183 146 A 13 ASP H A 13 ASP HBy 1.0 1.8 2.81 184 146 A 13 ASP H A 13 ASP HBx 1.0 1.8 2.81 185 147 A 13 ASP H A 14 PHE H 1.0 1.8 3.66 186 148 A 14 PHE H A 13 ASP HA 1.0 1.8 4.50 187 149 A 13 ASP HBx A 14 PHE H 1.0 1.8 3.82 188 150 A 14 PHE H A 13 ASP HBy 1.0 1.8 3.82 189 151 A 13 ASP H A 14 PHE HBy 1.0 1.8 4.66 190 152 A 14 PHE H A 13 ASP HBy 1.0 1.8 3.27 191 152 A 13 ASP HBx A 14 PHE H 1.0 1.8 3.27 192 153 A 13 ASP H A 15 LEU H 1.0 1.8 4.95 193 154 A 13 ASP HA A 15 LEU H 1.0 1.8 5.27 194 155 A 16 ARG H A 13 ASP HBy 1.0 1.8 5.34 195 155 A 13 ASP HBx A 16 ARG H 1.0 1.8 5.34 196 156 A 13 ASP HA A 16 ARG H 1.0 1.8 3.72 197 157 A 13 ASP H A 16 ARG H 1.0 1.8 4.96 198 158 A 13 ASP HA A 16 ARG HDx 1.0 1.8 4.54 199 158 A 13 ASP HA A 16 ARG HDy 1.0 1.8 4.54 200 159 A 13 ASP HA A 17 GLN H 1.0 1.8 4.92 201 160 A 14 PHE HA A 14 PHE HD% 1.0 1.8 4.11 202 161 A 14 PHE H A 14 PHE HBy 1.0 1.8 3.10 203 162 A 14 PHE H A 14 PHE HBx 1.0 1.8 3.09 204 163 A 14 PHE H A 14 PHE HD% 1.0 1.8 4.03 205 164 A 15 LEU H A 14 PHE HBx 1.0 1.8 4.06 206 165 A 15 LEU H A 14 PHE HA 1.0 1.8 4.50 207 166 A 15 LEU H A 14 PHE HD% 1.0 1.8 3.63 208 167 A 15 LEU H A 14 PHE HBy 1.0 1.8 3.46 209 168 A 14 PHE H A 15 LEU H 1.0 1.8 3.35 210 169 A 15 LEU H A 14 PHE HE% 1.0 1.8 4.85 211 170 A 14 PHE HA A 16 ARG HBx 1.0 1.8 5.09 212 170 A 16 ARG HBy A 14 PHE HA 1.0 1.8 5.09 213 171 A 16 ARG H A 14 PHE HD% 1.0 1.8 4.97 214 172 A 14 PHE H A 16 ARG H 1.0 1.8 4.36 215 173 A 16 ARG H A 14 PHE HBy 1.0 1.8 5.01 216 174 A 14 PHE HA A 17 GLN HBx 1.0 1.8 5.40 217 174 A 14 PHE HA A 17 GLN HBy 1.0 1.8 5.40 218 175 A 17 GLN H A 14 PHE HA 1.0 1.8 4.50 219 176 A 14 PHE H A 17 GLN H 1.0 1.8 5.50 220 177 A 14 PHE HE% A 29 GLU H 1.0 1.8 5.50 221 178 A 14 PHE HE% A 29 GLU HBy 1.0 1.8 4.60 222 179 A 14 PHE HE% A 30 ILE H 1.0 1.8 4.97 223 180 A 14 PHE HD% A 30 ILE H 1.0 1.8 5.50 224 181 A 15 LEU HA A 15 LEU HDy% 1.0 1.8 4.29 225 182 A 15 LEU HBy A 15 LEU HDx% 1.0 1.8 3.97 226 183 A 15 LEU HDy% A 15 LEU HBy 1.0 1.8 3.97 227 184 A 15 LEU HDx% A 15 LEU HBx 1.0 1.8 3.87 228 185 A 15 LEU HDy% A 15 LEU HBx 1.0 1.8 3.87 229 186 A 15 LEU H A 15 LEU HDx% 1.0 1.8 4.38 230 187 A 15 LEU HA A 15 LEU HDx% 1.0 1.8 4.29 231 188 A 15 LEU H A 15 LEU HG 1.0 1.8 4.10 232 189 A 15 LEU H A 15 LEU HBx 1.0 1.8 3.80 233 190 A 15 LEU H A 15 LEU HBy 1.0 1.8 3.22 234 191 A 15 LEU H A 15 LEU HDy% 1.0 1.8 4.38 235 192 A 16 ARG H A 15 LEU HBy 1.0 1.8 4.33 236 193 A 16 ARG H A 15 LEU HA 1.0 1.8 4.50 237 194 A 16 ARG H A 15 LEU HDx% 1.0 1.8 3.97 238 195 A 16 ARG H A 15 LEU HBx 1.0 1.8 4.64 239 196 A 16 ARG H A 15 LEU HDy% 1.0 1.8 3.97 240 197 A 15 LEU H A 16 ARG HA 1.0 1.8 5.15 241 198 A 15 LEU H A 16 ARG H 1.0 1.8 3.34 242 199 A 15 LEU H A 17 GLN H 1.0 1.8 4.99 243 200 A 17 GLN H A 15 LEU HDy% 1.0 1.8 5.17 244 201 A 17 GLN H A 15 LEU HDx% 1.0 1.8 5.17 245 202 A 15 LEU HDx% A 18 ASN H 1.0 1.8 5.50 246 203 A 15 LEU HBx A 18 ASN H 1.0 1.8 5.05 247 204 A 15 LEU HDy% A 18 ASN H 1.0 1.8 5.50 248 205 A 15 LEU HA A 18 ASN H 1.0 1.8 3.89 249 206 A 16 ARG HA A 16 ARG HDx 1.0 1.8 4.49 250 206 A 16 ARG HDy A 16 ARG HA 1.0 1.8 4.49 251 207 A 16 ARG HBy A 16 ARG HDx 1.0 1.8 3.92 252 207 A 16 ARG HBx A 16 ARG HDx 1.0 1.8 3.92 253 207 A 16 ARG HDy A 16 ARG HBx 1.0 1.8 3.92 254 207 A 16 ARG HBy A 16 ARG HDy 1.0 1.8 3.92 255 208 A 16 ARG H A 16 ARG HDx 1.0 1.8 5.28 256 208 A 16 ARG HDy A 16 ARG H 1.0 1.8 5.28 257 209 A 16 ARG H A 16 ARG HBx 1.0 1.8 2.63 258 209 A 16 ARG HBy A 16 ARG H 1.0 1.8 2.63 259 210 A 16 ARG H A 16 ARG HGy 1.0 1.8 4.60 260 211 A 16 ARG H A 16 ARG HGx 1.0 1.8 4.60 261 212 A 16 ARG H A 16 ARG HGy 1.0 1.8 3.79 262 212 A 16 ARG H A 16 ARG HGx 1.0 1.8 3.79 263 213 A 17 GLN H A 16 ARG HDx 1.0 1.8 4.69 264 213 A 16 ARG HDy A 17 GLN H 1.0 1.8 4.69 265 214 A 17 GLN H A 16 ARG HA 1.0 1.8 4.50 266 215 A 16 ARG H A 17 GLN H 1.0 1.8 3.31 267 216 A 17 GLN H A 16 ARG HGy 1.0 1.8 4.07 268 217 A 17 GLN H A 16 ARG HGx 1.0 1.8 4.07 269 218 A 16 ARG H A 17 GLN HGx 1.0 1.8 4.96 270 218 A 16 ARG H A 17 GLN HGy 1.0 1.8 4.96 271 219 A 16 ARG H A 18 ASN H 1.0 1.8 4.52 272 220 A 16 ARG H A 19 GLY H 1.0 1.8 4.98 273 221 A 19 GLY H A 16 ARG HBx 1.0 1.8 5.12 274 221 A 16 ARG HBy A 19 GLY H 1.0 1.8 5.12 275 222 A 17 GLN H A 17 GLN HGx 1.0 1.8 3.47 276 222 A 17 GLN H A 17 GLN HGy 1.0 1.8 3.47 277 223 A 17 GLN H A 17 GLN HBx 1.0 1.8 2.63 278 223 A 17 GLN H A 17 GLN HBy 1.0 1.8 2.63 279 224 A 17 GLN H A 18 ASN HD2x 1.0 1.8 5.21 280 225 A 17 GLN H A 18 ASN HD2y 1.0 1.8 5.21 281 226 A 17 GLN H A 18 ASN HD2x 1.0 1.8 4.57 282 226 A 17 GLN H A 18 ASN HD2y 1.0 1.8 4.57 283 227 A 17 GLN H A 18 ASN H 1.0 1.8 3.21 284 228 A 18 ASN H A 17 GLN HA 1.0 1.8 4.50 285 229 A 18 ASN H A 17 GLN HBx 1.0 1.8 3.12 286 229 A 17 GLN HBy A 18 ASN H 1.0 1.8 3.12 287 230 A 18 ASN H A 17 GLN HGx 1.0 1.8 4.63 288 230 A 18 ASN H A 17 GLN HGy 1.0 1.8 4.63 289 231 A 19 GLY H A 17 GLN HA 1.0 1.8 4.35 290 232 A 17 GLN H A 19 GLY H 1.0 1.8 3.99 291 233 A 19 GLY H A 17 GLN HBx 1.0 1.8 5.47 292 233 A 17 GLN HBy A 19 GLY H 1.0 1.8 5.47 293 234 A 18 ASN H A 18 ASN HD2y 1.0 1.8 3.93 294 235 A 18 ASN H A 18 ASN HBx 1.0 1.8 3.78 295 236 A 18 ASN H A 18 ASN HBy 1.0 1.8 3.19 296 237 A 18 ASN H A 18 ASN HD2x 1.0 1.8 3.93 297 238 A 18 ASN H A 18 ASN HD2x 1.0 1.8 3.40 298 238 A 18 ASN H A 18 ASN HD2y 1.0 1.8 3.40 299 239 A 18 ASN H A 19 GLY H 1.0 1.8 3.06 300 240 A 19 GLY H A 18 ASN HD2y 1.0 1.8 5.50 301 241 A 19 GLY H A 18 ASN HD2x 1.0 1.8 5.50 302 242 A 19 GLY H A 18 ASN HBx 1.0 1.8 4.54 303 243 A 19 GLY H A 18 ASN HBy 1.0 1.8 3.53 304 244 A 18 ASN H A 19 GLY HAx 1.0 1.8 5.05 305 245 A 18 ASN H A 19 GLY HAy 1.0 1.8 5.05 306 246 A 19 GLY H A 18 ASN HD2y 1.0 1.8 4.66 307 246 A 19 GLY H A 18 ASN HD2x 1.0 1.8 4.66 308 247 A 19 GLY H A 20 LYS HGx 1.0 1.8 5.43 309 247 A 19 GLY H A 20 LYS HGy 1.0 1.8 5.43 310 248 A 20 LYS H A 19 GLY HAx 1.0 1.8 2.79 311 248 A 20 LYS H A 19 GLY HAy 1.0 1.8 2.79 312 249 A 20 LYS H A 20 LYS HGx 1.0 1.8 3.06 313 249 A 20 LYS H A 20 LYS HGy 1.0 1.8 3.06 314 250 A 20 LYS H A 20 LYS HBx 1.0 1.8 2.83 315 250 A 20 LYS HBy A 20 LYS H 1.0 1.8 2.83 316 251 A 20 LYS H A 20 LYS HEx 1.0 1.8 4.02 317 251 A 20 LYS H A 20 LYS HEy 1.0 1.8 4.02 318 252 A 21 SER H A 20 LYS HBx 1.0 1.8 3.16 319 252 A 20 LYS HBy A 21 SER H 1.0 1.8 3.16 320 253 A 21 SER H A 20 LYS HGx 1.0 1.8 4.52 321 253 A 20 LYS HGy A 21 SER H 1.0 1.8 4.52 322 254 A 20 LYS H A 21 SER H 1.0 1.8 4.66 323 255 A 21 SER H A 20 LYS HA 1.0 1.8 2.75 324 256 A 21 SER H A 21 SER HBy 1.0 1.8 3.93 325 257 A 21 SER H A 21 SER HBx 1.0 1.8 3.93 326 258 A 21 SER H A 21 SER HBx 1.0 1.8 3.31 327 258 A 21 SER H A 21 SER HBy 1.0 1.8 3.31 328 259 A 21 SER HA A 22 ILE H 1.0 1.8 2.82 329 260 A 21 SER HBy A 22 ILE H 1.0 1.8 3.76 330 261 A 22 ILE H A 21 SER HBx 1.0 1.8 3.76 331 262 A 21 SER H A 22 ILE H 1.0 1.8 4.40 332 263 A 22 ILE H A 21 SER HBx 1.0 1.8 3.09 333 263 A 21 SER HBy A 22 ILE H 1.0 1.8 3.09 334 264 A 22 ILE HG2% A 21 SER HBx 1.0 1.8 4.80 335 264 A 21 SER HBy A 22 ILE HG2% 1.0 1.8 4.80 336 265 A 25 THR HB A 21 SER HBx 1.0 1.8 4.03 337 265 A 21 SER HBy A 25 THR HB 1.0 1.8 4.03 338 266 A 25 THR HG2% A 21 SER HBx 1.0 1.8 3.66 339 266 A 21 SER HBy A 25 THR HG2% 1.0 1.8 3.66 340 267 A 21 SER HBy A 25 THR HG2% 1.0 1.8 4.47 341 268 A 25 THR HG2% A 21 SER HBx 1.0 1.8 4.47 342 269 A 21 SER H A 25 THR HG2% 1.0 1.8 4.89 343 270 A 21 SER H A 26 ILE HD1% 1.0 1.8 5.06 344 271 A 26 ILE H A 21 SER HBx 1.0 1.8 4.47 345 271 A 21 SER HBy A 26 ILE H 1.0 1.8 4.47 346 272 A 26 ILE HG1y A 21 SER HBx 1.0 1.8 4.73 347 272 A 21 SER HBy A 26 ILE HG1y 1.0 1.8 4.73 348 273 A 26 ILE HD1% A 21 SER HBx 1.0 1.8 5.34 349 273 A 21 SER HBy A 26 ILE HD1% 1.0 1.8 5.34 350 274 A 21 SER H A 26 ILE H 1.0 1.8 5.50 351 275 A 22 ILE H A 22 ILE HG1x 1.0 1.8 2.91 352 275 A 22 ILE H A 22 ILE HG1y 1.0 1.8 2.91 353 276 A 22 ILE H A 22 ILE HG2% 1.0 1.8 2.82 354 277 A 22 ILE HG2% A 23 ALA H 1.0 1.8 3.91 355 278 A 22 ILE H A 23 ALA H 1.0 1.8 4.79 356 279 A 22 ILE H A 24 LEU H 1.0 1.8 5.27 357 280 A 24 LEU H A 22 ILE HA 1.0 1.8 4.63 358 281 A 22 ILE HB A 25 THR H 1.0 1.8 5.02 359 282 A 22 ILE H A 25 THR H 1.0 1.8 3.92 360 283 A 25 THR H A 22 ILE HG1x 1.0 1.8 2.77 361 283 A 22 ILE HG1y A 25 THR H 1.0 1.8 2.77 362 284 A 22 ILE H A 25 THR HB 1.0 1.8 4.26 363 285 A 22 ILE H A 26 ILE H 1.0 1.8 4.99 364 286 A 22 ILE HG2% A 60 TRP H 1.0 1.8 6.00 365 287 A 23 ALA H A 23 ALA HB% 1.0 1.8 2.91 366 288 A 23 ALA H A 24 LEU HBx 1.0 1.8 5.50 367 289 A 23 ALA H A 24 LEU HBy 1.0 1.8 5.50 368 290 A 23 ALA H A 24 LEU H 1.0 1.8 3.57 369 291 A 24 LEU H A 23 ALA HA 1.0 1.8 4.50 370 292 A 24 LEU H A 23 ALA HB% 1.0 1.8 2.82 371 293 A 23 ALA HB% A 24 LEU HA 1.0 1.8 4.07 372 294 A 23 ALA H A 25 THR H 1.0 1.8 4.79 373 295 A 25 THR H A 23 ALA HA 1.0 1.8 4.54 374 296 A 26 ILE HD1% A 23 ALA H 1.0 1.8 4.76 375 297 A 23 ALA H A 26 ILE HG1x 1.0 1.8 5.03 376 298 A 26 ILE HD1% A 23 ALA HA 1.0 1.8 3.83 377 299 A 26 ILE H A 23 ALA HA 1.0 1.8 4.50 378 300 A 23 ALA HB% A 38 ASN HD2y 1.0 1.8 4.33 379 301 A 23 ALA HB% A 38 ASN HD2x 1.0 1.8 4.53 380 302 A 23 ALA H A 41 LEU HDx% 1.0 1.8 6.00 381 303 A 23 ALA HB% A 41 LEU HDx% 1.0 1.8 6.00 382 304 A 23 ALA H A 60 TRP HD1 1.0 1.8 6.00 383 305 A 23 ALA H A 60 TRP H 1.0 1.8 6.00 384 306 A 24 LEU H A 24 LEU HBy 1.0 1.8 2.59 385 306 A 24 LEU H A 24 LEU HBx 1.0 1.8 2.59 386 307 A 24 LEU H A 24 LEU HBx 1.0 1.8 3.08 387 308 A 24 LEU H A 24 LEU HBy 1.0 1.8 3.08 388 309 A 24 LEU H A 24 LEU HDx% 1.0 1.8 3.90 389 309 A 24 LEU H A 24 LEU HDy% 1.0 1.8 3.90 390 310 A 24 LEU HA A 24 LEU HDx% 1.0 1.8 3.53 391 310 A 24 LEU HA A 24 LEU HDy% 1.0 1.8 3.53 392 311 A 24 LEU H A 25 THR HG1 1.0 1.8 4.65 393 312 A 25 THR H A 24 LEU HA 1.0 1.8 4.50 394 313 A 25 THR H A 24 LEU HBy 1.0 1.8 3.11 395 313 A 25 THR H A 24 LEU HBx 1.0 1.8 3.11 396 314 A 24 LEU H A 25 THR H 1.0 1.8 3.46 397 315 A 25 THR H A 24 LEU HDx% 1.0 1.8 3.49 398 315 A 25 THR H A 24 LEU HDy% 1.0 1.8 3.49 399 316 A 26 ILE H A 24 LEU H 1.0 1.8 4.38 400 317 A 26 ILE H A 24 LEU HDx% 1.0 1.8 5.01 401 317 A 26 ILE H A 24 LEU HDy% 1.0 1.8 5.01 402 318 A 24 LEU H A 26 ILE HG1x 1.0 1.8 5.36 403 319 A 27 ALA H A 24 LEU HDx% 1.0 1.8 4.74 404 319 A 24 LEU HDy% A 27 ALA H 1.0 1.8 4.74 405 320 A 24 LEU HA A 27 ALA H 1.0 1.8 4.50 406 321 A 24 LEU HA A 27 ALA HB% 1.0 1.8 3.80 407 322 A 28 LYS H A 24 LEU HDx% 1.0 1.8 4.12 408 322 A 24 LEU HDy% A 28 LYS H 1.0 1.8 4.12 409 323 A 25 THR H A 25 THR HG1 1.0 1.8 4.26 410 324 A 25 THR HB A 25 THR H 1.0 1.8 3.05 411 325 A 25 THR HG2% A 25 THR HA 1.0 1.8 3.43 412 326 A 25 THR HG2% A 25 THR H 1.0 1.8 4.32 413 327 A 25 THR H A 26 ILE HG1x 1.0 1.8 4.33 414 328 A 26 ILE HD1% A 25 THR H 1.0 1.8 5.30 415 329 A 26 ILE H A 25 THR HA 1.0 1.8 4.50 416 330 A 26 ILE H A 25 THR HG1 1.0 1.8 4.86 417 331 A 25 THR HB A 26 ILE H 1.0 1.8 3.34 418 332 A 25 THR HG2% A 26 ILE H 1.0 1.8 3.47 419 333 A 26 ILE H A 25 THR H 1.0 1.8 3.37 420 334 A 25 THR HB A 26 ILE HG1y 1.0 1.8 4.93 421 335 A 25 THR H A 27 ALA H 1.0 1.8 4.46 422 336 A 25 THR HG2% A 28 LYS H 1.0 1.8 4.22 423 337 A 28 LYS H A 25 THR HA 1.0 1.8 3.33 424 338 A 25 THR HA A 28 LYS HBx 1.0 1.8 4.01 425 338 A 25 THR HA A 28 LYS HBy 1.0 1.8 4.01 426 339 A 29 GLU H A 25 THR HG2% 1.0 1.8 3.82 427 340 A 25 THR HG2% A 29 GLU HGx 1.0 1.8 3.73 428 340 A 25 THR HG2% A 29 GLU HGy 1.0 1.8 3.73 429 341 A 25 THR H A 29 GLU HGx 1.0 1.8 5.50 430 341 A 25 THR H A 29 GLU HGy 1.0 1.8 5.50 431 342 A 30 ILE H A 25 THR HG2% 1.0 1.8 5.50 432 343 A 26 ILE H A 26 ILE HG1y 1.0 1.8 5.04 433 344 A 26 ILE HD1% A 26 ILE HB 1.0 1.8 3.84 434 345 A 26 ILE HD1% A 26 ILE HG2% 1.0 1.8 3.24 435 346 A 26 ILE H A 26 ILE HG1x 1.0 1.8 3.21 436 347 A 26 ILE HD1% A 26 ILE H 1.0 1.8 3.58 437 348 A 26 ILE H A 26 ILE HG2% 1.0 1.8 3.80 438 349 A 26 ILE H A 26 ILE HB 1.0 1.8 3.01 439 350 A 27 ALA HB% A 26 ILE HB 1.0 1.8 4.04 440 351 A 27 ALA HB% A 26 ILE HG2% 1.0 1.8 4.23 441 352 A 27 ALA H A 26 ILE HA 1.0 1.8 4.50 442 353 A 26 ILE H A 27 ALA H 1.0 1.8 3.39 443 354 A 27 ALA H A 26 ILE HB 1.0 1.8 3.08 444 355 A 26 ILE HD1% A 27 ALA H 1.0 1.8 4.56 445 356 A 27 ALA H A 26 ILE HG2% 1.0 1.8 3.56 446 357 A 26 ILE H A 28 LYS H 1.0 1.8 4.51 447 358 A 28 LYS H A 26 ILE HG2% 1.0 1.8 5.09 448 359 A 29 GLU H A 26 ILE HA 1.0 1.8 4.14 449 360 A 29 GLU H A 26 ILE HG2% 1.0 1.8 4.69 450 361 A 26 ILE H A 29 GLU HGx 1.0 1.8 3.96 451 361 A 26 ILE H A 29 GLU HGy 1.0 1.8 3.96 452 362 A 26 ILE HG2% A 29 GLU HGx 1.0 1.8 4.13 453 362 A 29 GLU HGy A 26 ILE HG2% 1.0 1.8 4.13 454 363 A 30 ILE H A 26 ILE HA 1.0 1.8 4.91 455 364 A 26 ILE HB A 37 VAL HGx% 1.0 1.8 4.28 456 365 A 26 ILE HB A 37 VAL HGy% 1.0 1.8 4.28 457 366 A 26 ILE HG2% A 37 VAL HGx% 1.0 1.8 3.50 458 367 A 26 ILE HG2% A 37 VAL HGy% 1.0 1.8 3.50 459 368 A 26 ILE HG2% A 37 VAL H 1.0 1.8 5.44 460 369 A 26 ILE HB A 37 VAL H 1.0 1.8 5.50 461 370 A 37 VAL HA A 26 ILE HD1% 1.0 1.8 5.36 462 371 A 37 VAL HA A 26 ILE HG2% 1.0 1.8 4.32 463 372 A 26 ILE HD1% A 41 LEU HDy% 1.0 1.8 4.07 464 373 A 27 ALA H A 27 ALA HB% 1.0 1.8 2.74 465 374 A 27 ALA H A 28 LYS H 1.0 1.8 3.31 466 375 A 27 ALA HB% A 28 LYS H 1.0 1.8 2.97 467 376 A 28 LYS H A 27 ALA HA 1.0 1.8 4.50 468 377 A 27 ALA HB% A 28 LYS HBx 1.0 1.8 4.44 469 377 A 27 ALA HB% A 28 LYS HBy 1.0 1.8 4.44 470 378 A 29 GLU H A 27 ALA HA 1.0 1.8 4.60 471 379 A 29 GLU H A 27 ALA HB% 1.0 1.8 4.93 472 380 A 27 ALA H A 29 GLU HGx 1.0 1.8 4.95 473 380 A 27 ALA H A 29 GLU HGy 1.0 1.8 4.95 474 381 A 27 ALA HA A 30 ILE HD1% 1.0 1.8 4.43 475 382 A 30 ILE H A 27 ALA HA 1.0 1.8 4.04 476 383 A 27 ALA HA A 31 GLY H 1.0 1.8 4.71 477 384 A 27 ALA HB% A 34 LYS HA 1.0 1.8 3.64 478 385 A 27 ALA HB% A 37 VAL HB 1.0 1.8 4.59 479 386 A 28 LYS H A 28 LYS HBx 1.0 1.8 2.71 480 386 A 28 LYS H A 28 LYS HBy 1.0 1.8 2.71 481 387 A 28 LYS H A 28 LYS HGx 1.0 1.8 3.29 482 387 A 28 LYS H A 28 LYS HGy 1.0 1.8 3.29 483 388 A 28 LYS H A 29 GLU HA 1.0 1.8 5.46 484 389 A 29 GLU H A 28 LYS H 1.0 1.8 3.28 485 390 A 29 GLU H A 28 LYS HA 1.0 1.8 4.50 486 391 A 28 LYS H A 29 GLU HGx 1.0 1.8 4.31 487 391 A 28 LYS H A 29 GLU HGy 1.0 1.8 4.31 488 392 A 29 GLU H A 28 LYS HBx 1.0 1.8 3.08 489 392 A 29 GLU H A 28 LYS HBy 1.0 1.8 3.08 490 393 A 29 GLU H A 28 LYS HGx 1.0 1.8 5.21 491 393 A 29 GLU H A 28 LYS HGy 1.0 1.8 5.21 492 394 A 30 ILE H A 28 LYS HA 1.0 1.8 4.48 493 395 A 29 GLU H A 29 GLU HGx 1.0 1.8 3.02 494 395 A 29 GLU H A 29 GLU HGy 1.0 1.8 3.02 495 396 A 29 GLU H A 29 GLU HBx 1.0 1.8 3.08 496 397 A 29 GLU H A 30 ILE H 1.0 1.8 3.22 497 398 A 30 ILE H A 29 GLU HGx 1.0 1.8 4.26 498 398 A 30 ILE H A 29 GLU HGy 1.0 1.8 4.26 499 399 A 30 ILE H A 29 GLU HA 1.0 1.8 4.50 500 400 A 29 GLU HBy A 30 ILE H 1.0 1.8 4.01 501 401 A 30 ILE H A 29 GLU HBx 1.0 1.8 3.55 502 402 A 29 GLU H A 30 ILE HA 1.0 1.8 5.49 503 403 A 31 GLY H A 29 GLU HA 1.0 1.8 4.33 504 404 A 31 GLY H A 29 GLU HBx 1.0 1.8 4.81 505 405 A 30 ILE HA A 30 ILE HG2% 1.0 1.8 3.55 506 406 A 30 ILE HD1% A 30 ILE HB 1.0 1.8 3.55 507 407 A 30 ILE HD1% A 30 ILE HG2% 1.0 1.8 3.12 508 408 A 30 ILE HG2% A 30 ILE HG1y 1.0 1.8 4.11 509 409 A 30 ILE HG2% A 30 ILE HG1x 1.0 1.8 4.11 510 410 A 30 ILE H A 30 ILE HB 1.0 1.8 3.74 511 411 A 30 ILE H A 30 ILE HG1x 1.0 1.8 3.38 512 412 A 30 ILE H A 30 ILE HG1y 1.0 1.8 3.38 513 413 A 30 ILE H A 30 ILE HG2% 1.0 1.8 3.05 514 414 A 30 ILE H A 30 ILE HD1% 1.0 1.8 3.87 515 415 A 30 ILE H A 30 ILE HG1y 1.0 1.8 2.92 516 415 A 30 ILE H A 30 ILE HG1x 1.0 1.8 2.92 517 416 A 31 GLY H A 30 ILE HG2% 1.0 1.8 4.25 518 417 A 30 ILE HD1% A 31 GLY H 1.0 1.8 4.79 519 418 A 31 GLY H A 30 ILE HB 1.0 1.8 4.45 520 419 A 31 GLY H A 30 ILE HG1y 1.0 1.8 3.94 521 420 A 31 GLY H A 30 ILE HG1x 1.0 1.8 3.94 522 421 A 30 ILE H A 31 GLY HAx 1.0 1.8 5.17 523 421 A 30 ILE H A 31 GLY HAy 1.0 1.8 5.17 524 422 A 31 GLY H A 30 ILE HG1y 1.0 1.8 3.43 525 422 A 31 GLY H A 30 ILE HG1x 1.0 1.8 3.43 526 423 A 30 ILE H A 31 GLY H 1.0 1.8 3.05 527 424 A 30 ILE HA A 32 LEU H 1.0 1.8 4.75 528 425 A 30 ILE H A 32 LEU H 1.0 1.8 4.46 529 426 A 30 ILE HD1% A 32 LEU H 1.0 1.8 4.05 530 427 A 32 LEU H A 30 ILE HG1y 1.0 1.8 3.66 531 428 A 30 ILE HG1x A 32 LEU H 1.0 1.8 3.66 532 429 A 30 ILE HB A 32 LEU H 1.0 1.8 4.11 533 430 A 30 ILE H A 32 LEU HG 1.0 1.8 5.13 534 431 A 30 ILE H A 32 LEU HDy% 1.0 1.8 5.50 535 432 A 30 ILE HD1% A 32 LEU HDx% 1.0 1.8 3.74 536 433 A 32 LEU H A 30 ILE HG1y 1.0 1.8 3.15 537 433 A 30 ILE HG1x A 32 LEU H 1.0 1.8 3.15 538 434 A 30 ILE HD1% A 36 THR HG2% 1.0 1.8 4.08 539 435 A 37 VAL HA A 30 ILE HD1% 1.0 1.8 4.92 540 436 A 37 VAL H A 30 ILE HD1% 1.0 1.8 5.50 541 437 A 31 GLY H A 31 GLY HAx 1.0 1.8 2.94 542 438 A 31 GLY H A 31 GLY HAy 1.0 1.8 2.94 543 439 A 31 GLY H A 32 LEU HG 1.0 1.8 4.95 544 440 A 31 GLY H A 32 LEU HDy% 1.0 1.8 4.82 545 441 A 32 LEU H A 31 GLY HAx 1.0 1.8 3.11 546 441 A 31 GLY HAy A 32 LEU H 1.0 1.8 3.11 547 442 A 32 LEU HG A 31 GLY HAx 1.0 1.8 4.60 548 442 A 31 GLY HAy A 32 LEU HG 1.0 1.8 4.60 549 443 A 32 LEU H A 32 LEU HBy 1.0 1.8 3.15 550 443 A 32 LEU H A 32 LEU HBx 1.0 1.8 3.15 551 444 A 32 LEU H A 32 LEU HDy% 1.0 1.8 3.79 552 445 A 32 LEU H A 32 LEU HG 1.0 1.8 3.41 553 446 A 32 LEU H A 33 ASP H 1.0 1.8 4.82 554 447 A 32 LEU HBx A 33 ASP H 1.0 1.8 3.68 555 448 A 33 ASP H A 32 LEU HBy 1.0 1.8 3.68 556 449 A 32 LEU HDx% A 33 ASP H 1.0 1.8 4.49 557 450 A 32 LEU HDy% A 33 ASP H 1.0 1.8 4.00 558 451 A 33 ASP H A 32 LEU HBy 1.0 1.8 3.07 559 451 A 32 LEU HBx A 33 ASP H 1.0 1.8 3.07 560 452 A 32 LEU HDx% A 36 THR HG2% 1.0 1.8 3.64 561 453 A 33 ASP H A 33 ASP HBy 1.0 1.8 3.46 562 454 A 33 ASP H A 33 ASP HBx 1.0 1.8 3.46 563 455 A 33 ASP H A 33 ASP HBy 1.0 1.8 3.00 564 455 A 33 ASP H A 33 ASP HBx 1.0 1.8 3.00 565 456 A 35 SER H A 33 ASP HBy 1.0 1.8 4.89 566 456 A 33 ASP HBx A 35 SER H 1.0 1.8 4.89 567 457 A 33 ASP HA A 36 THR H 1.0 1.8 5.18 568 458 A 36 THR H A 33 ASP HBy 1.0 1.8 4.46 569 459 A 33 ASP HBx A 36 THR H 1.0 1.8 4.46 570 460 A 33 ASP H A 36 THR HB 1.0 1.8 4.44 571 461 A 36 THR HG2% A 33 ASP H 1.0 1.8 4.06 572 462 A 36 THR H A 33 ASP HBy 1.0 1.8 3.67 573 462 A 33 ASP HBx A 36 THR H 1.0 1.8 3.67 574 463 A 35 SER H A 34 LYS HBx 1.0 1.8 4.19 575 463 A 35 SER H A 34 LYS HBy 1.0 1.8 4.19 576 464 A 35 SER H A 34 LYS HGx 1.0 1.8 4.62 577 464 A 35 SER H A 34 LYS HGy 1.0 1.8 4.62 578 465 A 34 LYS HA A 35 SER H 1.0 1.8 4.50 579 466 A 35 SER H A 34 LYS H 1.0 1.8 3.28 580 467 A 34 LYS HA A 37 VAL HB 1.0 1.8 3.83 581 468 A 37 VAL H A 34 LYS HA 1.0 1.8 3.35 582 469 A 35 SER H A 35 SER HBx 1.0 1.8 3.95 583 469 A 35 SER H A 35 SER HBy 1.0 1.8 3.95 584 470 A 36 THR H A 35 SER HBx 1.0 1.8 3.11 585 470 A 36 THR H A 35 SER HBy 1.0 1.8 3.11 586 471 A 35 SER H A 36 THR H 1.0 1.8 3.83 587 472 A 36 THR H A 35 SER HA 1.0 1.8 3.56 588 473 A 36 THR HG2% A 35 SER H 1.0 1.8 4.90 589 474 A 35 SER HA A 38 ASN H 1.0 1.8 4.50 590 475 A 36 THR HG2% A 36 THR HA 1.0 1.8 3.59 591 476 A 36 THR H A 36 THR HB 1.0 1.8 3.28 592 477 A 36 THR HG2% A 36 THR H 1.0 1.8 3.29 593 478 A 37 VAL H A 36 THR HG2% 1.0 1.8 4.59 594 479 A 37 VAL H A 36 THR HA 1.0 1.8 4.50 595 480 A 37 VAL H A 36 THR H 1.0 1.8 3.28 596 481 A 36 THR HA A 39 ARG HBx 1.0 1.8 3.93 597 481 A 36 THR HA A 39 ARG HBy 1.0 1.8 3.93 598 482 A 36 THR HA A 39 ARG HGy 1.0 1.8 5.50 599 483 A 36 THR HA A 39 ARG H 1.0 1.8 3.89 600 484 A 36 THR HG2% A 40 HIS HD2 1.0 1.8 3.69 601 485 A 36 THR HA A 40 HIS H 1.0 1.8 4.93 602 486 A 37 VAL HA A 37 VAL HGy% 1.0 1.8 3.89 603 487 A 37 VAL HA A 37 VAL HGx% 1.0 1.8 3.89 604 488 A 37 VAL H A 37 VAL HB 1.0 1.8 2.90 605 489 A 37 VAL HB A 38 ASN H 1.0 1.8 3.24 606 490 A 37 VAL H A 38 ASN H 1.0 1.8 3.21 607 491 A 37 VAL HA A 39 ARG H 1.0 1.8 4.54 608 492 A 37 VAL H A 39 ARG H 1.0 1.8 4.32 609 493 A 37 VAL HA A 40 HIS HD2 1.0 1.8 4.49 610 494 A 37 VAL HA A 40 HIS HBx 1.0 1.8 4.77 611 495 A 37 VAL HA A 40 HIS HBy 1.0 1.8 4.58 612 496 A 37 VAL HA A 40 HIS H 1.0 1.8 3.77 613 497 A 37 VAL H A 40 HIS H 1.0 1.8 4.96 614 498 A 37 VAL HB A 40 HIS H 1.0 1.8 5.50 615 499 A 37 VAL H A 40 HIS HD2 1.0 1.8 4.64 616 500 A 37 VAL HA A 41 LEU H 1.0 1.8 4.22 617 501 A 37 VAL H A 41 LEU HDy% 1.0 1.8 5.50 618 502 A 38 ASN H A 38 ASN HBy 1.0 1.8 3.59 619 503 A 38 ASN H A 38 ASN HBx 1.0 1.8 3.02 620 504 A 38 ASN HD2y A 38 ASN H 1.0 1.8 4.07 621 505 A 38 ASN HD2x A 38 ASN HA 1.0 1.8 4.73 622 506 A 38 ASN HD2y A 38 ASN HA 1.0 1.8 4.22 623 507 A 38 ASN HD2x A 38 ASN H 1.0 1.8 4.57 624 508 A 39 ARG H A 38 ASN HA 1.0 1.8 3.56 625 509 A 38 ASN H A 39 ARG H 1.0 1.8 3.27 626 510 A 39 ARG H A 38 ASN HBy 1.0 1.8 3.46 627 511 A 38 ASN HD2y A 39 ARG H 1.0 1.8 4.65 628 512 A 39 ARG H A 38 ASN HBx 1.0 1.8 3.37 629 513 A 40 HIS H A 38 ASN HA 1.0 1.8 4.52 630 514 A 38 ASN H A 40 HIS H 1.0 1.8 4.41 631 515 A 40 HIS H A 38 ASN HBx 1.0 1.8 5.21 632 516 A 38 ASN HA A 41 LEU HBy 1.0 1.8 4.65 633 517 A 41 LEU HDy% A 38 ASN HA 1.0 1.8 3.72 634 518 A 38 ASN HA A 41 LEU HBx 1.0 1.8 4.84 635 519 A 38 ASN HA A 41 LEU HG 1.0 1.8 4.59 636 520 A 41 LEU HDy% A 38 ASN H 1.0 1.8 4.24 637 521 A 38 ASN HBy A 42 TYR H 1.0 1.8 5.43 638 522 A 41 LEU H A 38 ASN HA 1.0 1.8 3.68 639 523 A 38 ASN HA A 42 TYR H 1.0 1.8 4.36 640 524 A 39 ARG HGy A 39 ARG HA 1.0 1.8 3.97 641 525 A 39 ARG H A 39 ARG HBx 1.0 1.8 2.70 642 525 A 39 ARG HBy A 39 ARG H 1.0 1.8 2.70 643 526 A 39 ARG H A 39 ARG HGx 1.0 1.8 4.04 644 527 A 39 ARG HGy A 39 ARG H 1.0 1.8 4.58 645 528 A 39 ARG H A 39 ARG HDx 1.0 1.8 4.41 646 528 A 39 ARG H A 39 ARG HDy 1.0 1.8 4.41 647 529 A 39 ARG HGy A 40 HIS H 1.0 1.8 4.23 648 530 A 40 HIS H A 39 ARG HA 1.0 1.8 4.50 649 531 A 39 ARG H A 40 HIS HD2 1.0 1.8 5.50 650 532 A 40 HIS HBx A 39 ARG H 1.0 1.8 4.84 651 533 A 40 HIS H A 39 ARG HBx 1.0 1.8 3.43 652 533 A 39 ARG HBy A 40 HIS H 1.0 1.8 3.43 653 534 A 40 HIS H A 39 ARG HGx 1.0 1.8 3.73 654 535 A 40 HIS H A 39 ARG HDx 1.0 1.8 4.54 655 535 A 40 HIS H A 39 ARG HDy 1.0 1.8 4.54 656 536 A 39 ARG H A 40 HIS H 1.0 1.8 3.28 657 537 A 41 LEU H A 39 ARG HGx 1.0 1.8 5.43 658 538 A 39 ARG H A 41 LEU H 1.0 1.8 4.49 659 539 A 41 LEU H A 39 ARG HA 1.0 1.8 4.89 660 540 A 41 LEU HDy% A 39 ARG H 1.0 1.8 4.93 661 541 A 42 TYR H A 39 ARG HA 1.0 1.8 3.73 662 542 A 42 TYR H A 39 ARG HBx 1.0 1.8 5.50 663 542 A 39 ARG HBy A 42 TYR H 1.0 1.8 5.50 664 543 A 39 ARG H A 42 TYR HBy 1.0 1.8 5.34 665 543 A 39 ARG H A 42 TYR HBx 1.0 1.8 5.34 666 544 A 39 ARG HBy A 43 ASN HD2y 1.0 1.8 5.19 667 544 A 39 ARG HBy A 43 ASN HD2x 1.0 1.8 5.19 668 544 A 43 ASN HD2y A 39 ARG HBx 1.0 1.8 5.19 669 544 A 43 ASN HD2x A 39 ARG HBx 1.0 1.8 5.19 670 545 A 39 ARG HGx A 43 ASN HD2y 1.0 1.8 5.29 671 545 A 39 ARG HGx A 43 ASN HD2x 1.0 1.8 5.29 672 546 A 39 ARG HGy A 43 ASN HD2y 1.0 1.8 4.61 673 546 A 39 ARG HGy A 43 ASN HD2x 1.0 1.8 4.61 674 547 A 39 ARG HA A 43 ASN H 1.0 1.8 4.85 675 548 A 40 HIS HD2 A 40 HIS H 1.0 1.8 3.66 676 549 A 40 HIS HBy A 40 HIS H 1.0 1.8 3.71 677 550 A 40 HIS HBx A 40 HIS H 1.0 1.8 3.14 678 551 A 40 HIS H A 41 LEU H 1.0 1.8 3.19 679 552 A 41 LEU H A 40 HIS HA 1.0 1.8 4.50 680 553 A 40 HIS HD2 A 41 LEU H 1.0 1.8 5.36 681 554 A 40 HIS HBy A 41 LEU H 1.0 1.8 3.61 682 555 A 40 HIS HBx A 41 LEU H 1.0 1.8 3.51 683 556 A 41 LEU HDy% A 40 HIS H 1.0 1.8 4.82 684 557 A 41 LEU HDx% A 40 HIS H 1.0 1.8 5.13 685 558 A 40 HIS H A 41 LEU HA 1.0 1.8 5.50 686 559 A 40 HIS H A 41 LEU HBy 1.0 1.8 5.46 687 560 A 40 HIS H A 41 LEU HG 1.0 1.8 4.25 688 561 A 42 TYR H A 40 HIS HA 1.0 1.8 4.59 689 562 A 40 HIS H A 42 TYR HBy 1.0 1.8 5.34 690 562 A 40 HIS H A 42 TYR HBx 1.0 1.8 5.34 691 563 A 40 HIS HBy A 42 TYR H 1.0 1.8 5.50 692 564 A 40 HIS H A 42 TYR H 1.0 1.8 4.51 693 565 A 40 HIS H A 43 ASN H 1.0 1.8 5.29 694 566 A 40 HIS HA A 43 ASN HD2y 1.0 1.8 4.37 695 566 A 40 HIS HA A 43 ASN HD2x 1.0 1.8 4.37 696 567 A 40 HIS HBy A 43 ASN H 1.0 1.8 5.50 697 568 A 43 ASN H A 40 HIS HA 1.0 1.8 4.50 698 569 A 41 LEU HDy% A 41 LEU HA 1.0 1.8 4.52 699 570 A 41 LEU HG A 41 LEU HA 1.0 1.8 3.95 700 571 A 41 LEU HDx% A 41 LEU H 1.0 1.8 3.61 701 572 A 41 LEU H A 41 LEU HBx 1.0 1.8 3.68 702 573 A 41 LEU HDy% A 41 LEU H 1.0 1.8 3.28 703 574 A 41 LEU H A 41 LEU HBy 1.0 1.8 3.14 704 575 A 41 LEU H A 41 LEU HG 1.0 1.8 3.05 705 576 A 41 LEU HDx% A 41 LEU HBx 1.0 1.8 3.83 706 577 A 41 LEU HDx% A 41 LEU HBy 1.0 1.8 3.57 707 578 A 41 LEU HDx% A 41 LEU HA 1.0 1.8 3.82 708 579 A 41 LEU HDy% A 41 LEU HBx 1.0 1.8 3.79 709 580 A 41 LEU HBx A 42 TYR H 1.0 1.8 4.04 710 581 A 42 TYR H A 41 LEU HA 1.0 1.8 4.50 711 582 A 41 LEU H A 42 TYR H 1.0 1.8 3.32 712 583 A 41 LEU H A 42 TYR HBx 1.0 1.8 5.50 713 584 A 41 LEU H A 42 TYR HBy 1.0 1.8 5.50 714 585 A 41 LEU HDy% A 42 TYR H 1.0 1.8 4.25 715 586 A 41 LEU HDx% A 42 TYR H 1.0 1.8 4.05 716 587 A 41 LEU H A 42 TYR HA 1.0 1.8 5.18 717 588 A 41 LEU H A 42 TYR HBy 1.0 1.8 4.68 718 588 A 41 LEU H A 42 TYR HBx 1.0 1.8 4.68 719 589 A 41 LEU HG A 42 TYR H 1.0 1.8 4.05 720 590 A 41 LEU HG A 42 TYR HA 1.0 1.8 4.61 721 591 A 41 LEU HBy A 42 TYR H 1.0 1.8 4.26 722 592 A 43 ASN H A 41 LEU HA 1.0 1.8 4.50 723 593 A 41 LEU H A 43 ASN H 1.0 1.8 4.52 724 594 A 41 LEU HG A 43 ASN H 1.0 1.8 5.34 725 595 A 41 LEU HBx A 43 ASN H 1.0 1.8 5.50 726 596 A 44 LEU H A 41 LEU HA 1.0 1.8 3.93 727 597 A 44 LEU H A 41 LEU H 1.0 1.8 5.44 728 598 A 41 LEU HA A 44 LEU HBx 1.0 1.8 4.25 729 599 A 44 LEU H A 41 LEU HDx% 1.0 1.8 5.27 730 600 A 41 LEU HA A 45 GLN H 1.0 1.8 4.97 731 601 A 41 LEU HDx% A 45 GLN H 1.0 1.8 5.09 732 602 A 41 LEU HBx A 50 VAL HGx% 1.0 1.8 4.56 733 602 A 41 LEU HBx A 50 VAL HGy% 1.0 1.8 4.56 734 603 A 41 LEU HG A 50 VAL HGx% 1.0 1.8 4.98 735 603 A 41 LEU HG A 50 VAL HGy% 1.0 1.8 4.98 736 604 A 42 TYR HA A 42 TYR HD% 1.0 1.8 4.12 737 605 A 42 TYR H A 42 TYR HD% 1.0 1.8 4.31 738 606 A 42 TYR H A 42 TYR HBy 1.0 1.8 3.06 739 607 A 42 TYR H A 42 TYR HBx 1.0 1.8 3.06 740 608 A 42 TYR H A 43 ASN H 1.0 1.8 3.20 741 609 A 43 ASN H A 42 TYR HA 1.0 1.8 4.50 742 610 A 43 ASN H A 42 TYR HD% 1.0 1.8 4.39 743 611 A 44 LEU H A 42 TYR H 1.0 1.8 4.71 744 612 A 42 TYR H A 44 LEU HG 1.0 1.8 5.50 745 613 A 42 TYR H A 44 LEU HBx 1.0 1.8 5.50 746 614 A 44 LEU H A 42 TYR HA 1.0 1.8 4.91 747 615 A 42 TYR HA A 45 GLN HBy 1.0 1.8 4.10 748 616 A 42 TYR HA A 45 GLN HBx 1.0 1.8 4.47 749 617 A 42 TYR HA A 45 GLN H 1.0 1.8 3.64 750 618 A 45 GLN H A 42 TYR HD% 1.0 1.8 5.27 751 619 A 42 TYR H A 45 GLN H 1.0 1.8 5.26 752 620 A 45 GLN H A 42 TYR HBy 1.0 1.8 5.34 753 620 A 42 TYR HBx A 45 GLN H 1.0 1.8 5.34 754 621 A 43 ASN H A 43 ASN HA 1.0 1.8 2.91 755 622 A 43 ASN H A 43 ASN HD2y 1.0 1.8 4.03 756 623 A 43 ASN H A 43 ASN HD2x 1.0 1.8 4.03 757 624 A 43 ASN H A 43 ASN HBx 1.0 1.8 3.41 758 624 A 43 ASN H A 43 ASN HBy 1.0 1.8 3.41 759 625 A 43 ASN H A 43 ASN HD2y 1.0 1.8 3.43 760 625 A 43 ASN H A 43 ASN HD2x 1.0 1.8 3.43 761 626 A 43 ASN HD2x A 43 ASN HBy 1.0 1.8 3.10 762 626 A 43 ASN HD2x A 43 ASN HBx 1.0 1.8 3.10 763 626 A 43 ASN HD2y A 43 ASN HBx 1.0 1.8 3.10 764 626 A 43 ASN HD2y A 43 ASN HBy 1.0 1.8 3.10 765 627 A 44 LEU H A 43 ASN HBx 1.0 1.8 3.42 766 627 A 44 LEU H A 43 ASN HBy 1.0 1.8 3.42 767 628 A 44 LEU H A 43 ASN HA 1.0 1.8 4.50 768 629 A 44 LEU H A 43 ASN HD2y 1.0 1.8 5.34 769 629 A 44 LEU H A 43 ASN HD2x 1.0 1.8 5.34 770 630 A 44 LEU H A 43 ASN HBy 1.0 1.8 4.06 771 631 A 44 LEU H A 43 ASN HBx 1.0 1.8 4.06 772 632 A 43 ASN H A 44 LEU HA 1.0 1.8 5.40 773 633 A 43 ASN H A 44 LEU HBx 1.0 1.8 4.92 774 634 A 43 ASN H A 44 LEU HG 1.0 1.8 4.67 775 635 A 44 LEU H A 43 ASN H 1.0 1.8 3.18 776 636 A 45 GLN H A 43 ASN HBx 1.0 1.8 5.30 777 636 A 45 GLN H A 43 ASN HBy 1.0 1.8 5.30 778 637 A 43 ASN H A 45 GLN H 1.0 1.8 4.08 779 638 A 43 ASN H A 45 GLN HBy 1.0 1.8 5.50 780 639 A 43 ASN H A 46 ARG H 1.0 1.8 5.50 781 640 A 43 ASN HA A 46 ARG HBx 1.0 1.8 4.84 782 640 A 43 ASN HA A 46 ARG HBy 1.0 1.8 4.84 783 641 A 46 ARG H A 43 ASN HBx 1.0 1.8 5.34 784 641 A 43 ASN HBy A 46 ARG H 1.0 1.8 5.34 785 642 A 43 ASN HA A 46 ARG H 1.0 1.8 4.06 786 643 A 43 ASN H A 50 VAL HGx% 1.0 1.8 5.00 787 643 A 43 ASN H A 50 VAL HGy% 1.0 1.8 5.00 788 644 A 44 LEU HG A 44 LEU HA 1.0 1.8 3.61 789 645 A 44 LEU HDx% A 44 LEU HBy 1.0 1.8 3.62 790 646 A 44 LEU HDx% A 44 LEU HBx 1.0 1.8 3.58 791 647 A 44 LEU HDy% A 44 LEU HBx 1.0 1.8 3.58 792 648 A 44 LEU H A 44 LEU HG 1.0 1.8 3.24 793 649 A 44 LEU H A 44 LEU HDy% 1.0 1.8 4.16 794 650 A 44 LEU H A 44 LEU HDx% 1.0 1.8 4.16 795 651 A 44 LEU H A 44 LEU HBy 1.0 1.8 3.80 796 652 A 44 LEU H A 44 LEU HBx 1.0 1.8 3.31 797 653 A 44 LEU HDy% A 44 LEU HBy 1.0 1.8 3.62 798 654 A 44 LEU H A 45 GLN H 1.0 1.8 3.46 799 655 A 45 GLN H A 44 LEU HA 1.0 1.8 4.50 800 656 A 44 LEU HBx A 45 GLN H 1.0 1.8 3.53 801 657 A 45 GLN H A 44 LEU HG 1.0 1.8 4.76 802 658 A 45 GLN H A 44 LEU HBy 1.0 1.8 4.17 803 659 A 44 LEU H A 45 GLN HBx 1.0 1.8 4.88 804 660 A 44 LEU H A 45 GLN HBy 1.0 1.8 5.50 805 661 A 44 LEU H A 46 ARG H 1.0 1.8 4.57 806 662 A 44 LEU H A 47 SER H 1.0 1.8 5.50 807 663 A 44 LEU HA A 47 SER H 1.0 1.8 3.90 808 664 A 44 LEU HA A 49 GLN H 1.0 1.8 5.04 809 665 A 44 LEU HBx A 49 GLN H 1.0 1.8 5.11 810 666 A 44 LEU HBy A 49 GLN H 1.0 1.8 4.28 811 667 A 44 LEU HBy A 50 VAL H 1.0 1.8 4.41 812 668 A 44 LEU HA A 50 VAL H 1.0 1.8 5.50 813 669 A 44 LEU HBx A 50 VAL H 1.0 1.8 4.42 814 670 A 44 LEU H A 50 VAL HB 1.0 1.8 5.50 815 671 A 44 LEU H A 50 VAL HGx% 1.0 1.8 4.40 816 671 A 44 LEU H A 50 VAL HGy% 1.0 1.8 4.40 817 672 A 44 LEU HBx A 50 VAL HGx% 1.0 1.8 3.73 818 672 A 44 LEU HBx A 50 VAL HGy% 1.0 1.8 3.73 819 673 A 44 LEU HBx A 51 PHE H 1.0 1.8 5.50 820 674 A 45 GLN H A 45 GLN HGx 1.0 1.8 4.72 821 675 A 45 GLN HA A 45 GLN HE2y 1.0 1.8 5.10 822 676 A 45 GLN H A 45 GLN HGy 1.0 1.8 4.14 823 676 A 45 GLN H A 45 GLN HGx 1.0 1.8 4.14 824 677 A 45 GLN H A 45 GLN HBy 1.0 1.8 3.11 825 678 A 45 GLN H A 45 GLN HE2x 1.0 1.8 5.31 826 679 A 45 GLN H A 45 GLN HGy 1.0 1.8 4.72 827 680 A 45 GLN H A 45 GLN HBx 1.0 1.8 3.14 828 681 A 45 GLN HBx A 45 GLN HE2x 1.0 1.8 4.76 829 682 A 45 GLN HBx A 45 GLN HE2y 1.0 1.8 4.66 830 683 A 45 GLN HA A 45 GLN HE2x 1.0 1.8 4.92 831 684 A 45 GLN HBx A 46 ARG H 1.0 1.8 3.83 832 685 A 45 GLN H A 46 ARG H 1.0 1.8 3.27 833 686 A 46 ARG H A 45 GLN HA 1.0 1.8 4.50 834 687 A 45 GLN HBx A 46 ARG HE 1.0 1.8 4.76 835 688 A 45 GLN HBy A 46 ARG H 1.0 1.8 3.30 836 689 A 45 GLN H A 46 ARG HE 1.0 1.8 4.24 837 690 A 46 ARG H A 45 GLN HGy 1.0 1.8 4.75 838 690 A 46 ARG H A 45 GLN HGx 1.0 1.8 4.75 839 691 A 45 GLN H A 47 SER H 1.0 1.8 4.40 840 692 A 47 SER H A 45 GLN HA 1.0 1.8 4.32 841 693 A 45 GLN HBy A 47 SER H 1.0 1.8 5.25 842 694 A 45 GLN HA A 48 ASN H 1.0 1.8 3.93 843 695 A 45 GLN HBy A 48 ASN H 1.0 1.8 5.32 844 696 A 48 ASN H A 45 GLN HGy 1.0 1.8 4.88 845 696 A 45 GLN HGx A 48 ASN H 1.0 1.8 4.88 846 697 A 45 GLN H A 48 ASN H 1.0 1.8 5.16 847 698 A 49 GLN H A 45 GLN HA 1.0 1.8 3.78 848 699 A 45 GLN H A 49 GLN H 1.0 1.8 5.50 849 700 A 45 GLN H A 50 VAL H 1.0 1.8 4.91 850 701 A 50 VAL H A 45 GLN HA 1.0 1.8 3.31 851 702 A 45 GLN H A 50 VAL HGx% 1.0 1.8 3.09 852 702 A 45 GLN H A 50 VAL HGy% 1.0 1.8 3.09 853 703 A 45 GLN HA A 50 VAL HGx% 1.0 1.8 3.80 854 703 A 50 VAL HGy% A 45 GLN HA 1.0 1.8 3.80 855 704 A 45 GLN HBx A 50 VAL HGx% 1.0 1.8 4.29 856 704 A 50 VAL HGy% A 45 GLN HBx 1.0 1.8 4.29 857 705 A 50 VAL H A 45 GLN HGy 1.0 1.8 5.16 858 705 A 50 VAL H A 45 GLN HGx 1.0 1.8 5.16 859 706 A 45 GLN HGy A 50 VAL HGx% 1.0 1.8 4.62 860 706 A 50 VAL HGy% A 45 GLN HGy 1.0 1.8 4.62 861 706 A 50 VAL HGy% A 45 GLN HGx 1.0 1.8 4.62 862 706 A 45 GLN HGx A 50 VAL HGx% 1.0 1.8 4.62 863 707 A 51 PHE H A 45 GLN HA 1.0 1.8 4.65 864 708 A 45 GLN HE2x A 51 PHE HA 1.0 1.8 4.50 865 709 A 45 GLN HE2y A 51 PHE HA 1.0 1.8 4.94 866 710 A 51 PHE H A 45 GLN HGy 1.0 1.8 5.34 867 710 A 51 PHE H A 45 GLN HGx 1.0 1.8 5.34 868 711 A 45 GLN HE2y A 51 PHE HBx 1.0 1.8 5.34 869 711 A 45 GLN HE2y A 51 PHE HBy 1.0 1.8 5.34 870 712 A 45 GLN HE2x A 52 ASN H 1.0 1.8 4.61 871 713 A 45 GLN HE2y A 52 ASN H 1.0 1.8 4.73 872 714 A 45 GLN HE2x A 52 ASN HD2y 1.0 1.8 5.34 873 714 A 45 GLN HE2x A 52 ASN HD2x 1.0 1.8 5.34 874 715 A 46 ARG HA A 46 ARG HGy 1.0 1.8 4.06 875 716 A 46 ARG HA A 46 ARG HGx 1.0 1.8 4.06 876 717 A 46 ARG HBx A 46 ARG HDx 1.0 1.8 3.70 877 717 A 46 ARG HBy A 46 ARG HDx 1.0 1.8 3.70 878 717 A 46 ARG HDy A 46 ARG HBx 1.0 1.8 3.70 879 717 A 46 ARG HBy A 46 ARG HDy 1.0 1.8 3.70 880 718 A 46 ARG H A 46 ARG HBx 1.0 1.8 2.70 881 718 A 46 ARG H A 46 ARG HBy 1.0 1.8 2.70 882 719 A 46 ARG H A 46 ARG HGx 1.0 1.8 3.95 883 720 A 46 ARG H A 46 ARG HGy 1.0 1.8 3.95 884 721 A 46 ARG HA A 46 ARG HGy 1.0 1.8 3.51 885 721 A 46 ARG HA A 46 ARG HGx 1.0 1.8 3.51 886 722 A 46 ARG H A 46 ARG HE 1.0 1.8 4.77 887 723 A 46 ARG H A 46 ARG HGy 1.0 1.8 3.35 888 723 A 46 ARG H A 46 ARG HGx 1.0 1.8 3.35 889 724 A 46 ARG H A 47 SER H 1.0 1.8 3.16 890 725 A 47 SER H A 46 ARG HA 1.0 1.8 4.50 891 726 A 47 SER H A 46 ARG HGy 1.0 1.8 4.37 892 726 A 47 SER H A 46 ARG HGx 1.0 1.8 4.37 893 727 A 47 SER H A 46 ARG HBx 1.0 1.8 3.29 894 727 A 46 ARG HBy A 47 SER H 1.0 1.8 3.29 895 728 A 47 SER H A 46 ARG HDx 1.0 1.8 4.98 896 728 A 47 SER H A 46 ARG HDy 1.0 1.8 4.98 897 729 A 46 ARG H A 47 SER HBx 1.0 1.8 5.11 898 729 A 46 ARG H A 47 SER HBy 1.0 1.8 5.11 899 730 A 46 ARG H A 48 ASN H 1.0 1.8 4.09 900 731 A 48 ASN H A 46 ARG HA 1.0 1.8 3.93 901 732 A 48 ASN H A 46 ARG HBx 1.0 1.8 4.56 902 732 A 46 ARG HBy A 48 ASN H 1.0 1.8 4.56 903 733 A 46 ARG H A 50 VAL HGx% 1.0 1.8 4.44 904 733 A 50 VAL HGy% A 46 ARG H 1.0 1.8 4.44 905 734 A 47 SER H A 47 SER HBx 1.0 1.8 3.27 906 734 A 47 SER H A 47 SER HBy 1.0 1.8 3.27 907 735 A 47 SER H A 48 ASN H 1.0 1.8 3.00 908 736 A 47 SER H A 48 ASN HBy 1.0 1.8 5.41 909 737 A 48 ASN H A 47 SER HBx 1.0 1.8 4.03 910 737 A 48 ASN H A 47 SER HBy 1.0 1.8 4.03 911 738 A 49 GLN H A 47 SER HBx 1.0 1.8 4.67 912 738 A 49 GLN H A 47 SER HBy 1.0 1.8 4.67 913 739 A 47 SER HBy A 49 GLN HBy 1.0 1.8 3.77 914 739 A 47 SER HBx A 49 GLN HBy 1.0 1.8 3.77 915 739 A 49 GLN HBx A 47 SER HBx 1.0 1.8 3.77 916 739 A 47 SER HBy A 49 GLN HBx 1.0 1.8 3.77 917 740 A 47 SER H A 49 GLN H 1.0 1.8 4.13 918 741 A 49 GLN H A 47 SER HBx 1.0 1.8 5.39 919 742 A 49 GLN H A 47 SER HBy 1.0 1.8 5.39 920 743 A 47 SER H A 49 GLN HBy 1.0 1.8 5.34 921 743 A 47 SER H A 49 GLN HBx 1.0 1.8 5.34 922 744 A 47 SER H A 50 VAL H 1.0 1.8 5.50 923 745 A 48 ASN HBy A 48 ASN HD2x 1.0 1.8 3.45 924 745 A 48 ASN HBy A 48 ASN HD2y 1.0 1.8 3.45 925 746 A 48 ASN H A 48 ASN HBy 1.0 1.8 3.40 926 747 A 48 ASN HBy A 48 ASN HD2x 1.0 1.8 4.06 927 748 A 48 ASN HBy A 48 ASN HD2y 1.0 1.8 4.06 928 749 A 48 ASN H A 48 ASN HA 1.0 1.8 2.46 929 750 A 48 ASN H A 48 ASN HD2x 1.0 1.8 5.14 930 750 A 48 ASN H A 48 ASN HD2y 1.0 1.8 5.14 931 751 A 48 ASN H A 49 GLN HBy 1.0 1.8 4.88 932 751 A 48 ASN H A 49 GLN HBx 1.0 1.8 4.88 933 752 A 49 GLN H A 48 ASN H 1.0 1.8 3.22 934 753 A 49 GLN H A 48 ASN HA 1.0 1.8 3.25 935 754 A 49 GLN H A 48 ASN HBy 1.0 1.8 4.46 936 755 A 49 GLN H A 48 ASN HBx 1.0 1.8 5.04 937 756 A 50 VAL H A 48 ASN H 1.0 1.8 4.21 938 757 A 50 VAL H A 48 ASN HA 1.0 1.8 3.86 939 758 A 48 ASN H A 51 PHE HE% 1.0 1.8 4.86 940 759 A 48 ASN H A 51 PHE HD% 1.0 1.8 4.61 941 760 A 48 ASN H A 51 PHE HBx 1.0 1.8 4.82 942 760 A 48 ASN H A 51 PHE HBy 1.0 1.8 4.82 943 761 A 49 GLN H A 49 GLN HBx 1.0 1.8 3.32 944 762 A 49 GLN H A 49 GLN HBy 1.0 1.8 3.32 945 763 A 49 GLN H A 49 GLN HBy 1.0 1.8 2.90 946 763 A 49 GLN H A 49 GLN HBx 1.0 1.8 2.90 947 764 A 49 GLN HBx A 49 GLN HE2x 1.0 1.8 4.38 948 764 A 49 GLN HBy A 49 GLN HE2x 1.0 1.8 4.38 949 764 A 49 GLN HE2y A 49 GLN HBy 1.0 1.8 4.38 950 764 A 49 GLN HBx A 49 GLN HE2y 1.0 1.8 4.38 951 765 A 49 GLN H A 50 VAL HA 1.0 1.8 5.11 952 766 A 49 GLN H A 50 VAL H 1.0 1.8 3.01 953 767 A 50 VAL H A 49 GLN HBx 1.0 1.8 4.19 954 768 A 50 VAL H A 49 GLN HBy 1.0 1.8 4.19 955 769 A 49 GLN H A 50 VAL HGx% 1.0 1.8 3.82 956 769 A 50 VAL HGy% A 49 GLN H 1.0 1.8 3.82 957 770 A 50 VAL H A 49 GLN HBy 1.0 1.8 3.46 958 770 A 50 VAL H A 49 GLN HBx 1.0 1.8 3.46 959 771 A 50 VAL H A 49 GLN HE2x 1.0 1.8 5.34 960 771 A 50 VAL H A 49 GLN HE2y 1.0 1.8 5.34 961 772 A 50 VAL HA A 49 GLN HE2x 1.0 1.8 4.35 962 772 A 49 GLN HE2y A 50 VAL HA 1.0 1.8 4.35 963 773 A 50 VAL HB A 49 GLN HE2x 1.0 1.8 3.82 964 773 A 50 VAL HB A 49 GLN HE2y 1.0 1.8 3.82 965 774 A 49 GLN HE2y A 50 VAL HGx% 1.0 1.8 5.01 966 774 A 49 GLN HE2x A 50 VAL HGx% 1.0 1.8 5.01 967 774 A 50 VAL HGy% A 49 GLN HE2x 1.0 1.8 5.01 968 774 A 50 VAL HGy% A 49 GLN HE2y 1.0 1.8 5.01 969 775 A 49 GLN H A 51 PHE HBx 1.0 1.8 5.34 970 775 A 49 GLN H A 51 PHE HBy 1.0 1.8 5.34 971 776 A 50 VAL H A 50 VAL HB 1.0 1.8 3.63 972 777 A 50 VAL H A 50 VAL HGx% 1.0 1.8 2.89 973 777 A 50 VAL HGy% A 50 VAL H 1.0 1.8 2.89 974 778 A 50 VAL H A 51 PHE HBx 1.0 1.8 4.72 975 778 A 50 VAL H A 51 PHE HBy 1.0 1.8 4.72 976 779 A 51 PHE H A 50 VAL HGx% 1.0 1.8 2.98 977 779 A 50 VAL HGy% A 51 PHE H 1.0 1.8 2.98 978 780 A 51 PHE HA A 50 VAL HGx% 1.0 1.8 4.56 979 780 A 50 VAL HGy% A 51 PHE HA 1.0 1.8 4.56 980 781 A 51 PHE HE% A 50 VAL HGx% 1.0 1.8 5.44 981 781 A 50 VAL HGy% A 51 PHE HE% 1.0 1.8 5.44 982 782 A 51 PHE H A 50 VAL HA 1.0 1.8 3.56 983 783 A 50 VAL H A 51 PHE H 1.0 1.8 4.37 984 784 A 50 VAL HB A 51 PHE H 1.0 1.8 4.36 985 785 A 51 PHE H A 51 PHE HD% 1.0 1.8 3.58 986 786 A 51 PHE HA A 52 ASN H 1.0 1.8 2.96 987 787 A 52 ASN H A 51 PHE HE% 1.0 1.8 6.00 988 788 A 51 PHE H A 52 ASN H 1.0 1.8 4.75 989 789 A 52 ASN H A 51 PHE HD% 1.0 1.8 3.69 990 790 A 51 PHE H A 51 PHE HBx 1.0 1.8 3.66 991 790 A 51 PHE H A 51 PHE HBy 1.0 1.8 3.66 992 791 A 52 ASN H A 51 PHE HBx 1.0 1.8 3.15 993 791 A 51 PHE HBy A 52 ASN H 1.0 1.8 3.15 994 792 A 51 PHE H A 62 LEU HA 1.0 1.8 4.50 995 793 A 51 PHE H A 61 ASP H 1.0 1.8 4.50 996 794 A 51 PHE H A 61 ASP HA 1.0 1.8 6.00 997 795 A 52 ASN H A 52 ASN HBx 1.0 1.8 4.12 998 796 A 52 ASN H A 52 ASN HBy 1.0 1.8 4.12 999 797 A 52 ASN H A 52 ASN HBx 1.0 1.8 3.60 1000 797 A 52 ASN H A 52 ASN HBy 1.0 1.8 3.60 1001 798 A 52 ASN H A 52 ASN HD2y 1.0 1.8 4.42 1002 798 A 52 ASN H A 52 ASN HD2x 1.0 1.8 4.42 1003 799 A 53 SER H A 52 ASN HD2y 1.0 1.8 4.93 1004 799 A 52 ASN HD2x A 53 SER H 1.0 1.8 4.93 1005 800 A 52 ASN HBy A 53 SER H 1.0 1.8 3.72 1006 801 A 53 SER H A 52 ASN HBx 1.0 1.8 3.72 1007 802 A 53 SER H A 52 ASN HA 1.0 1.8 2.99 1008 803 A 52 ASN H A 53 SER HA 1.0 1.8 5.50 1009 804 A 52 ASN H A 53 SER H 1.0 1.8 4.61 1010 805 A 53 SER H A 52 ASN HBx 1.0 1.8 3.21 1011 805 A 52 ASN HBy A 53 SER H 1.0 1.8 3.21 1012 806 A 59 VAL H A 52 ASN HBx 1.0 1.8 4.47 1013 806 A 52 ASN HBy A 59 VAL H 1.0 1.8 4.47 1014 807 A 52 ASN HA A 59 VAL H 1.0 1.8 4.26 1015 808 A 53 SER H A 53 SER HBy 1.0 1.8 3.52 1016 809 A 53 SER H A 53 SER HBx 1.0 1.8 3.52 1017 810 A 53 SER H A 54 ASN H 1.0 1.8 4.80 1018 811 A 53 SER H A 54 ASN HBx 1.0 1.8 5.34 1019 811 A 53 SER H A 54 ASN HBy 1.0 1.8 5.34 1020 812 A 53 SER H A 55 GLU H 1.0 1.8 4.60 1021 813 A 53 SER H A 55 GLU HGx 1.0 1.8 5.50 1022 814 A 53 SER H A 59 VAL H 1.0 1.8 3.69 1023 815 A 53 SER H A 59 VAL HB 1.0 1.8 4.13 1024 816 A 59 VAL H A 53 SER HBy 1.0 1.8 4.27 1025 816 A 59 VAL H A 53 SER HBx 1.0 1.8 4.27 1026 817 A 53 SER H A 60 TRP HA 1.0 1.8 4.50 1027 818 A 54 ASN HBy A 54 ASN HD2x 1.0 1.8 3.20 1028 818 A 54 ASN HD2x A 54 ASN HBx 1.0 1.8 3.20 1029 818 A 54 ASN HD2y A 54 ASN HBx 1.0 1.8 3.20 1030 818 A 54 ASN HBy A 54 ASN HD2y 1.0 1.8 3.20 1031 819 A 54 ASN HD2y A 55 GLU HGy 1.0 1.8 3.93 1032 820 A 55 GLU HGy A 54 ASN HD2x 1.0 1.8 3.93 1033 821 A 54 ASN HD2x A 55 GLU HBy 1.0 1.8 4.41 1034 821 A 54 ASN HD2x A 55 GLU HBx 1.0 1.8 4.41 1035 821 A 54 ASN HD2y A 55 GLU HBx 1.0 1.8 4.41 1036 821 A 54 ASN HD2y A 55 GLU HBy 1.0 1.8 4.41 1037 822 A 55 GLU HGy A 54 ASN HD2x 1.0 1.8 3.37 1038 822 A 54 ASN HD2y A 55 GLU HGy 1.0 1.8 3.37 1039 823 A 59 VAL H A 54 ASN H 1.0 1.8 5.16 1040 824 A 55 GLU HGx A 55 GLU HA 1.0 1.8 4.23 1041 825 A 55 GLU H A 55 GLU HGy 1.0 1.8 4.29 1042 826 A 55 GLU H A 55 GLU HGx 1.0 1.8 3.96 1043 827 A 55 GLU H A 55 GLU HBx 1.0 1.8 4.07 1044 828 A 55 GLU H A 55 GLU HBy 1.0 1.8 4.07 1045 829 A 55 GLU HGx A 56 LYS H 1.0 1.8 3.90 1046 830 A 56 LYS H A 55 GLU HBy 1.0 1.8 2.98 1047 830 A 55 GLU HBx A 56 LYS H 1.0 1.8 2.98 1048 831 A 55 GLU H A 56 LYS H 1.0 1.8 4.67 1049 832 A 55 GLU HA A 56 LYS H 1.0 1.8 2.82 1050 833 A 59 VAL H A 55 GLU H 1.0 1.8 5.11 1051 834 A 59 VAL H A 55 GLU HGx 1.0 1.8 4.23 1052 835 A 59 VAL H A 55 GLU HGy 1.0 1.8 4.40 1053 836 A 56 LYS H A 56 LYS HBx 1.0 1.8 2.96 1054 836 A 56 LYS H A 56 LYS HBy 1.0 1.8 2.96 1055 837 A 56 LYS H A 56 LYS HGx 1.0 1.8 4.12 1056 838 A 56 LYS H A 56 LYS HGy 1.0 1.8 4.12 1057 839 A 56 LYS H A 56 LYS HGy 1.0 1.8 3.53 1058 839 A 56 LYS H A 56 LYS HGx 1.0 1.8 3.53 1059 840 A 59 VAL H A 59 VAL HB 1.0 1.8 3.14 1060 841 A 59 VAL HA A 59 VAL HGx% 1.0 1.8 3.73 1061 842 A 59 VAL HA A 59 VAL HGy% 1.0 1.8 3.73 1062 843 A 60 TRP H A 59 VAL HGy% 1.0 1.8 4.03 1063 844 A 60 TRP H A 59 VAL HA 1.0 1.8 3.07 1064 845 A 60 TRP H A 59 VAL HGx% 1.0 1.8 4.03 1065 846 A 60 TRP H A 59 VAL HB 1.0 1.8 4.28 1066 847 A 60 TRP H A 59 VAL H 1.0 1.8 5.49 1067 848 A 61 ASP H A 59 VAL HGx% 1.0 1.8 4.53 1068 849 A 61 ASP H A 59 VAL HGy% 1.0 1.8 4.53 1069 850 A 61 ASP H A 59 VAL HA 1.0 1.8 4.91 1070 851 A 59 VAL HGx% A 62 LEU H 1.0 1.8 4.55 1071 852 A 59 VAL HGy% A 62 LEU H 1.0 1.8 4.55 1072 853 A 60 TRP H A 60 TRP HBy 1.0 1.8 3.77 1073 854 A 60 TRP H A 60 TRP HBx 1.0 1.8 3.77 1074 855 A 60 TRP H A 60 TRP HD1 1.0 1.8 3.66 1075 856 A 60 TRP H A 61 ASP H 1.0 1.8 4.20 1076 857 A 60 TRP HD1 A 61 ASP H 1.0 1.8 5.44 1077 858 A 61 ASP H A 60 TRP HBx 1.0 1.8 3.52 1078 858 A 61 ASP H A 60 TRP HBy 1.0 1.8 3.52 1079 859 A 61 ASP H A 60 TRP HA 1.0 1.8 3.51 1080 860 A 61 ASP H A 61 ASP HBy 1.0 1.8 3.43 1081 860 A 61 ASP H A 61 ASP HBx 1.0 1.8 3.43 1082 861 A 61 ASP HA A 62 LEU H 1.0 1.8 3.51 1083 862 A 62 LEU H A 61 ASP HBx 1.0 1.8 4.68 1084 863 A 62 LEU H A 61 ASP HBy 1.0 1.8 4.68 1085 864 A 61 ASP H A 62 LEU HBx 1.0 1.8 4.59 1086 864 A 61 ASP H A 62 LEU HBy 1.0 1.8 4.59 1087 865 A 62 LEU H A 61 ASP HBy 1.0 1.8 4.04 1088 865 A 62 LEU H A 61 ASP HBx 1.0 1.8 4.04 1089 866 A 62 LEU H A 62 LEU HBx 1.0 1.8 3.03 1090 866 A 62 LEU H A 62 LEU HBy 1.0 1.8 3.03 1091 867 A 62 LEU HA A 63 MET H 1.0 1.8 3.53 1092 868 A 63 MET H A 62 LEU HBx 1.0 1.8 3.46 1093 868 A 62 LEU HBy A 63 MET H 1.0 1.8 3.46 1094 869 A 63 MET H A 63 MET HBx 1.0 1.8 3.67 1095 869 A 63 MET H A 63 MET HBy 1.0 1.8 3.67 1096 870 A 63 MET HBy A 64 GLU HBx 1.0 1.8 3.77 1097 870 A 63 MET HBx A 64 GLU HBx 1.0 1.8 3.77 1098 870 A 64 GLU HBy A 63 MET HBx 1.0 1.8 3.77 1099 870 A 63 MET HBy A 64 GLU HBy 1.0 1.8 3.77 1100 871 A 64 GLU H A 63 MET HBx 1.0 1.8 4.19 1101 871 A 63 MET HBy A 64 GLU H 1.0 1.8 4.19 1102 872 A 63 MET H A 64 GLU H 1.0 1.8 4.36 1103 873 A 63 MET H A 64 GLU HBx 1.0 1.8 4.16 1104 873 A 63 MET H A 64 GLU HBy 1.0 1.8 4.16 1105 874 A 64 GLU H A 64 GLU HGx 1.0 1.8 4.48 1106 874 A 64 GLU H A 64 GLU HGy 1.0 1.8 4.48 1107 875 A 64 GLU H A 64 GLU HBx 1.0 1.8 3.96 1108 875 A 64 GLU HBy A 64 GLU H 1.0 1.8 3.96 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 ALA C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -91.2 -41.2 PHI 2 2 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 THR N 1.0 -89.2 10.8 PSI 3 3 A 4 GLU C A 5 THR N A 5 THR CA A 5 THR C 1.0 -91.3 -41.3 PHI 4 4 A 5 THR N A 5 THR CA A 5 THR C A 6 GLN N 1.0 -88.1 11.9 PSI 5 5 A 5 THR C A 6 GLN N A 6 GLN CA A 6 GLN C 1.0 -89.6 -39.6 PHI 6 6 A 6 GLN N A 6 GLN CA A 6 GLN C A 7 MET N 1.0 -89.2 10.8 PSI 7 7 A 6 GLN C A 7 MET N A 7 MET CA A 7 MET C 1.0 -91.2 -41.2 PHI 8 8 A 7 MET N A 7 MET CA A 7 MET C A 8 GLU N 1.0 -90.5 9.5 PSI 9 9 A 7 MET C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -89.3 -39.3 PHI 10 10 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 ARG N 1.0 -93.6 6.4 PSI 11 11 A 8 GLU C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -83.2 -33.2 PHI 12 12 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 LYS N 1.0 -92.0 8.0 PSI 13 13 A 9 ARG C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -89.0 -39.0 PHI 14 14 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 ILE N 1.0 -91.8 8.2 PSI 15 15 A 10 LYS C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -89.1 -39.1 PHI 16 16 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 ILE N 1.0 -96.9 3.1 PSI 17 17 A 11 ILE C A 12 ILE N A 12 ILE CA A 12 ILE C 1.0 -88.4 -38.4 PHI 18 18 A 12 ILE N A 12 ILE CA A 12 ILE C A 13 ASP N 1.0 -93.2 6.8 PSI 19 19 A 12 ILE C A 13 ASP N A 13 ASP CA A 13 ASP C 1.0 -86.1 -36.1 PHI 20 20 A 13 ASP N A 13 ASP CA A 13 ASP C A 14 PHE N 1.0 -89.7 10.3 PSI 21 21 A 13 ASP C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -88.2 -38.2 PHI 22 22 A 14 PHE N A 14 PHE CA A 14 PHE C A 15 LEU N 1.0 -95.4 4.6 PSI 23 23 A 14 PHE C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -84.8 -34.8 PHI 24 24 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 ARG N 1.0 -92.1 7.9 PSI 25 25 A 15 LEU C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -86.3 -36.3 PHI 26 26 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 GLN N 1.0 -91.2 8.8 PSI 27 27 A 16 ARG C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -97.4 -47.4 PHI 28 28 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 ASN N 1.0 -83.4 16.6 PSI 29 29 A 17 GLN C A 18 ASN N A 18 ASN CA A 18 ASN C 1.0 -117.0 -67.0 PHI 30 30 A 18 ASN N A 18 ASN CA A 18 ASN C A 19 GLY N 1.0 -73.8 26.2 PSI 31 31 A 19 GLY C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -137.9 -37.9 PHI 32 32 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 SER N 1.0 94.1 194.1 PSI 33 33 A 20 LYS C A 21 SER N A 21 SER CA A 21 SER C 1.0 -176.9 -76.9 PHI 34 34 A 21 SER N A 21 SER CA A 21 SER C A 22 ILE N 1.0 109.6 209.6 PSI 35 35 A 21 SER C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -99.5 -49.5 PHI 36 36 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 ALA N 1.0 117.5 217.5 PSI 37 37 A 22 ILE C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -85.0 -35.0 PHI 38 38 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 LEU N 1.0 -91.7 8.3 PSI 39 39 A 23 ALA C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -86.0 -36.0 PHI 40 40 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 THR N 1.0 -89.6 10.4 PSI 41 41 A 24 LEU C A 25 THR N A 25 THR CA A 25 THR C 1.0 -87.6 -37.6 PHI 42 42 A 25 THR N A 25 THR CA A 25 THR C A 26 ILE N 1.0 -95.7 4.3 PSI 43 43 A 25 THR C A 26 ILE N A 26 ILE CA A 26 ILE C 1.0 -90.2 -40.2 PHI 44 44 A 26 ILE N A 26 ILE CA A 26 ILE C A 27 ALA N 1.0 -94.9 5.1 PSI 45 45 A 26 ILE C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -86.5 -36.5 PHI 46 46 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 LYS N 1.0 -89.1 10.9 PSI 47 47 A 27 ALA C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -89.7 -39.7 PHI 48 48 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 GLU N 1.0 -91.5 8.5 PSI 49 49 A 28 LYS C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -93.0 -43.0 PHI 50 50 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 ILE N 1.0 -85.1 14.9 PSI 51 51 A 29 GLU C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -122.9 -72.9 PHI 52 52 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 GLY N 1.0 -47.6 52.4 PSI 53 53 A 30 ILE C A 31 GLY N A 31 GLY CA A 31 GLY C 1.0 49.4 99.4 PHI 54 54 A 31 GLY N A 31 GLY CA A 31 GLY C A 32 LEU N 1.0 -19.9 80.1 PSI 55 55 A 31 GLY C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -142.3 -92.3 PHI 56 56 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 ASP N 1.0 109.1 209.1 PSI 57 57 A 32 LEU C A 33 ASP N A 33 ASP CA A 33 ASP C 1.0 -98.7 -48.7 PHI 58 58 A 33 ASP N A 33 ASP CA A 33 ASP C A 34 LYS N 1.0 105.3 205.3 PSI 59 59 A 33 ASP C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -83.0 -33.0 PHI 60 60 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 SER N 1.0 -89.6 10.4 PSI 61 61 A 34 LYS C A 35 SER N A 35 SER CA A 35 SER C 1.0 -88.8 -38.8 PHI 62 62 A 35 SER N A 35 SER CA A 35 SER C A 36 THR N 1.0 -87.9 12.1 PSI 63 63 A 35 SER C A 36 THR N A 36 THR CA A 36 THR C 1.0 -91.5 -41.5 PHI 64 64 A 36 THR N A 36 THR CA A 36 THR C A 37 VAL N 1.0 -92.2 7.8 PSI 65 65 A 36 THR C A 37 VAL N A 37 VAL CA A 37 VAL C 1.0 -90.6 -40.6 PHI 66 66 A 37 VAL N A 37 VAL CA A 37 VAL C A 38 ASN N 1.0 -94.6 5.4 PSI 67 67 A 37 VAL C A 38 ASN N A 38 ASN CA A 38 ASN C 1.0 -84.5 -34.5 PHI 68 68 A 38 ASN N A 38 ASN CA A 38 ASN C A 39 ARG N 1.0 -89.8 10.2 PSI 69 69 A 38 ASN C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -88.1 -38.1 PHI 70 70 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 HIS N 1.0 -95.4 4.6 PSI 71 71 A 39 ARG C A 40 HIS N A 40 HIS CA A 40 HIS C 1.0 -88.8 -38.8 PHI 72 72 A 40 HIS N A 40 HIS CA A 40 HIS C A 41 LEU N 1.0 -93.2 6.8 PSI 73 73 A 40 HIS C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -88.7 -38.7 PHI 74 74 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 TYR N 1.0 -94.0 6.0 PSI 75 75 A 41 LEU C A 42 TYR N A 42 TYR CA A 42 TYR C 1.0 -87.0 -37.0 PHI 76 76 A 42 TYR N A 42 TYR CA A 42 TYR C A 43 ASN N 1.0 -90.2 9.8 PSI 77 77 A 42 TYR C A 43 ASN N A 43 ASN CA A 43 ASN C 1.0 -91.4 -41.4 PHI 78 78 A 43 ASN N A 43 ASN CA A 43 ASN C A 44 LEU N 1.0 -92.9 7.1 PSI 79 79 A 43 ASN C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -92.7 -42.7 PHI 80 80 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 GLN N 1.0 -88.7 11.3 PSI 81 81 A 44 LEU C A 45 GLN N A 45 GLN CA A 45 GLN C 1.0 -89.8 -39.8 PHI 82 82 A 45 GLN N A 45 GLN CA A 45 GLN C A 46 ARG N 1.0 -91.7 8.3 PSI 83 83 A 45 GLN C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -91.2 -41.2 PHI 84 84 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 SER N 1.0 -82.1 17.9 PSI 85 85 A 46 ARG C A 47 SER N A 47 SER CA A 47 SER C 1.0 -116.6 -66.6 PHI 86 86 A 47 SER N A 47 SER CA A 47 SER C A 48 ASN N 1.0 -41.7 58.3 PSI 87 87 A 47 SER C A 48 ASN N A 48 ASN CA A 48 ASN C 1.0 35.1 85.1 PHI 88 88 A 48 ASN N A 48 ASN CA A 48 ASN C A 49 GLN N 1.0 -16.0 84.0 PSI 89 89 A 48 ASN C A 49 GLN N A 49 GLN CA A 49 GLN C 1.0 -124.5 -74.5 PHI 90 90 A 49 GLN N A 49 GLN CA A 49 GLN C A 50 VAL N 1.0 -66.0 34.0 PSI 91 91 A 49 GLN C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -153.8 -103.8 PHI 92 92 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 PHE N 1.0 114.9 214.9 PSI 93 93 A 50 VAL C A 51 PHE N A 51 PHE CA A 51 PHE C 1.0 -162.3 -112.3 PHI 94 94 A 51 PHE N A 51 PHE CA A 51 PHE C A 52 ASN N 1.0 101.9 201.9 PSI 95 95 A 51 PHE C A 52 ASN N A 52 ASN CA A 52 ASN C 1.0 -182.4 -82.4 PHI 96 96 A 52 ASN N A 52 ASN CA A 52 ASN C A 53 SER N 1.0 101.8 201.8 PSI 97 97 A 52 ASN C A 53 SER N A 53 SER CA A 53 SER C 1.0 -158.7 -58.7 PHI 98 98 A 53 SER N A 53 SER CA A 53 SER C A 54 ASN N 1.0 110.5 210.5 PSI 99 99 A 53 SER C A 54 ASN N A 54 ASN CA A 54 ASN C 1.0 32.0 82.0 PHI 100 100 A 54 ASN N A 54 ASN CA A 54 ASN C A 55 GLU N 1.0 -17.6 82.4 PSI 101 101 A 58 PRO C A 59 VAL N A 59 VAL CA A 59 VAL C 1.0 -141.4 -41.4 PHI 102 102 A 59 VAL N A 59 VAL CA A 59 VAL C A 60 TRP N 1.0 82.8 182.8 PSI 103 103 A 59 VAL C A 60 TRP N A 60 TRP CA A 60 TRP C 1.0 -151.6 -51.6 PHI 104 104 A 60 TRP N A 60 TRP CA A 60 TRP C A 61 ASP N 1.0 97.8 197.8 PSI 105 105 A 60 TRP C A 61 ASP N A 61 ASP CA A 61 ASP C 1.0 -186.9 -86.9 PHI 106 106 A 61 ASP N A 61 ASP CA A 61 ASP C A 62 LEU N 1.0 101.8 201.8 PSI 107 107 A 61 ASP C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -132.1 -32.1 PHI 108 108 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 MET N 1.0 98.8 198.8 PSI 109 109 A 42 TYR N A 42 TYR CA A 42 TYR CB A 42 TYR CG 1.0 -90.0 -30.0 CHI1 stop_ save_