data_nef_c15678_2k1h save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLU middle . . 3 A 3 ILE middle . . 4 A 4 ILE middle . . 5 A 5 ALA middle . . 6 A 6 ILE middle . . 7 A 7 SER middle . . 8 A 8 GLU middle . . 9 A 9 THR middle . . 10 A 10 PRO middle . false 11 A 11 ASN middle . . 12 A 12 HIS middle . . 13 A 13 ASN middle . . 14 A 14 THR middle . . 15 A 15 MET middle . . 16 A 16 LYS middle . . 17 A 17 VAL middle . . 18 A 18 SER middle . . 19 A 19 LEU middle . . 20 A 20 SER middle . . 21 A 21 GLU middle . . 22 A 22 PRO middle . false 23 A 23 ARG middle . . 24 A 24 GLN middle . . 25 A 25 ASP middle . . 26 A 26 ASN middle . . 27 A 27 SER middle . . 28 A 28 PHE middle . . 29 A 29 THR middle . . 30 A 30 THR middle . . 31 A 31 TYR middle . . 32 A 32 THR middle . . 33 A 33 ALA middle . . 34 A 34 ALA middle . . 35 A 35 GLN middle . . 36 A 36 GLU middle . . 37 A 37 GLY middle . false 38 A 38 GLN middle . . 39 A 39 PRO middle . false 40 A 40 GLU middle . . 41 A 41 PHE middle . . 42 A 42 ILE middle . . 43 A 43 ASN middle . . 44 A 44 ARG middle . . 45 A 45 LEU middle . . 46 A 46 PHE middle . . 47 A 47 GLU middle . . 48 A 48 ILE middle . . 49 A 49 GLU middle . . 50 A 50 GLY middle . false 51 A 51 VAL middle . . 52 A 52 LYS middle . . 53 A 53 SER middle . . 54 A 54 ILE middle . . 55 A 55 PHE middle . . 56 A 56 TYR middle . . 57 A 57 VAL middle . . 58 A 58 LEU middle . . 59 A 59 ASP middle . . 60 A 60 PHE middle . . 61 A 61 ILE middle . . 62 A 62 SER middle . . 63 A 63 ILE middle . . 64 A 64 ASP middle . . 65 A 65 LYS middle . . 66 A 66 GLU middle . . 67 A 67 ASP middle . . 68 A 68 ASN middle . . 69 A 69 ALA middle . . 70 A 70 ASN middle . . 71 A 71 TRP middle . . 72 A 72 ASN middle . . 73 A 73 GLU middle . . 74 A 74 LEU middle . . 75 A 75 LEU middle . . 76 A 76 PRO middle . false 77 A 77 GLN middle . . 78 A 78 ILE middle . . 79 A 79 GLU middle . . 80 A 80 ASN middle . . 81 A 81 THR middle . . 82 A 82 PHE middle . . 83 A 83 ALA middle . . 84 A 84 LYS middle . . 85 A 85 SER middle . . 86 A 86 ASN middle . . 87 A 87 LEU middle . . 88 A 88 GLU middle . . 89 A 89 HIS middle . . 90 A 90 HIS middle . . 91 A 91 HIS middle . . 92 A 92 HIS middle . . 93 A 93 HIS middle . . 94 A 94 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 1 MET HA H 1 3.833 . A 1 MET C C 13 171.118 . A 1 MET CA C 13 55.046 . A 1 MET CB C 13 33.052 . A 1 MET CG C 13 30.962 . A 2 GLU H H 1 8.600 . A 2 GLU HA H 1 4.690 . A 2 GLU HBx H 1 1.696 . A 2 GLU HBy H 1 1.696 . A 2 GLU C C 13 174.681 . A 2 GLU CA C 13 54.499 . A 2 GLU CB C 13 32.932 . A 2 GLU CG C 13 35.910 . A 2 GLU N N 15 123.472 . A 3 ILE H H 1 8.423 . A 3 ILE HA H 1 3.734 . A 3 ILE HB H 1 1.380 . A 3 ILE HD1% H 1 0.523 . A 3 ILE HG1y H 1 0.683 . A 3 ILE HG1x H 1 -0.066 . A 3 ILE HG2% H 1 0.476 . A 3 ILE C C 13 176.653 . A 3 ILE CA C 13 61.865 . A 3 ILE CB C 13 38.915 . A 3 ILE CD1 C 13 14.043 . A 3 ILE CG1 C 13 26.739 . A 3 ILE CG2 C 13 17.045 . A 3 ILE N N 15 120.155 . A 4 ILE H H 1 8.771 . A 4 ILE HA H 1 4.168 . A 4 ILE HB H 1 1.599 . A 4 ILE HG1x H 1 0.797 . A 4 ILE HG2% H 1 0.692 . A 4 ILE C C 13 175.770 . A 4 ILE CA C 13 60.367 . A 4 ILE CB C 13 37.573 . A 4 ILE CG1 C 13 26.233 . A 4 ILE CG2 C 13 16.740 . A 4 ILE N N 15 125.095 . A 5 ALA H H 1 7.345 . A 5 ALA HA H 1 4.399 . A 5 ALA HB% H 1 1.262 . A 5 ALA C C 13 174.653 . A 5 ALA CA C 13 52.266 . A 5 ALA CB C 13 21.840 . A 5 ALA N N 15 120.560 . A 6 ILE H H 1 8.334 . A 6 ILE HA H 1 4.750 . A 6 ILE HB H 1 1.535 . A 6 ILE HG12 H 1 0.839 . A 6 ILE HG13 H 1 0.839 . A 6 ILE HG2% H 1 0.475 . A 6 ILE C C 13 175.443 . A 6 ILE CA C 13 61.130 . A 6 ILE CB C 13 40.099 . A 6 ILE CD1 C 13 13.245 . A 6 ILE CG1 C 13 28.037 . A 6 ILE CG2 C 13 17.348 . A 6 ILE N N 15 120.885 . A 7 SER H H 1 9.218 . A 7 SER HA H 1 4.774 . A 7 SER HBy H 1 3.700 . A 7 SER HBx H 1 3.557 . A 7 SER C C 13 172.514 . A 7 SER CA C 13 56.859 . A 7 SER CB C 13 65.920 . A 7 SER N N 15 121.117 . A 8 GLU H H 1 8.508 . A 8 GLU HA H 1 4.566 . A 8 GLU HBy H 1 2.040 . A 8 GLU HBx H 1 1.868 . A 8 GLU HGx H 1 2.158 . A 8 GLU HGy H 1 2.158 . A 8 GLU C C 13 176.191 . A 8 GLU CA C 13 56.668 . A 8 GLU CB C 13 30.810 . A 8 GLU CG C 13 36.681 . A 8 GLU N N 15 122.583 . A 9 THR H H 1 8.579 . A 9 THR HA H 1 4.894 . A 9 THR HB H 1 4.430 . A 9 THR HG2% H 1 1.064 . A 9 THR CA C 13 60.305 . A 9 THR CB C 13 69.397 . A 9 THR N N 15 112.311 . A 10 PRO HA H 1 4.343 . A 10 PRO HBy H 1 2.389 . A 10 PRO HBx H 1 1.765 . A 10 PRO C C 13 175.905 . A 10 PRO CA C 13 64.295 . A 10 PRO CB C 13 31.964 . A 10 PRO CD C 13 51.210 . A 10 PRO CG C 13 27.813 . A 11 ASN H H 1 7.617 . A 11 ASN HA H 1 4.901 . A 11 ASN HBy H 1 2.794 . A 11 ASN HBx H 1 2.581 . A 11 ASN C C 13 177.082 . A 11 ASN CA C 13 51.609 . A 11 ASN CB C 13 39.973 . A 11 ASN N N 15 114.954 . A 12 HIS H H 1 7.631 . A 12 HIS HA H 1 4.741 . A 12 HIS C C 13 175.918 . A 12 HIS CA C 13 58.513 . A 12 HIS CB C 13 28.690 . A 12 HIS N N 15 113.167 . A 13 ASN H H 1 8.487 . A 13 ASN HA H 1 5.036 . A 13 ASN HBy H 1 3.301 . A 13 ASN HBx H 1 2.733 . A 13 ASN C C 13 174.353 . A 13 ASN CA C 13 53.618 . A 13 ASN CB C 13 38.791 . A 13 ASN N N 15 115.930 . A 14 THR H H 1 8.207 . A 14 THR HA H 1 6.045 . A 14 THR HB H 1 3.741 . A 14 THR HG2% H 1 1.167 . A 14 THR C C 13 174.265 . A 14 THR CA C 13 62.679 . A 14 THR CB C 13 71.613 . A 14 THR CG2 C 13 22.295 . A 14 THR N N 15 117.646 . A 15 MET H H 1 8.924 . A 15 MET HA H 1 4.770 . A 15 MET HBx H 1 1.113 . A 15 MET HBy H 1 1.113 . A 15 MET C C 13 173.529 . A 15 MET CA C 13 53.327 . A 15 MET CB C 13 35.044 . A 15 MET CG C 13 31.572 . A 15 MET N N 15 127.665 . A 16 LYS H H 1 8.727 . A 16 LYS HA H 1 4.991 . A 16 LYS HBy H 1 1.634 . A 16 LYS HBx H 1 1.306 . A 16 LYS HGy H 1 1.054 . A 16 LYS HGx H 1 0.908 . A 16 LYS C C 13 174.929 . A 16 LYS CA C 13 55.426 . A 16 LYS CB C 13 34.777 . A 16 LYS CD C 13 29.576 . A 16 LYS CE C 13 41.006 . A 16 LYS CG C 13 25.452 . A 16 LYS N N 15 124.273 . A 17 VAL H H 1 9.672 . A 17 VAL HA H 1 4.632 . A 17 VAL HB H 1 2.211 . A 17 VAL HG1% H 1 0.780 . A 17 VAL HG2% H 1 0.606 . A 17 VAL C C 13 175.142 . A 17 VAL CA C 13 61.435 . A 17 VAL CB C 13 32.737 . A 17 VAL CGy C 13 21.953 . A 17 VAL CGx C 13 20.114 . A 17 VAL N N 15 130.088 . A 18 SER H H 1 9.027 . A 18 SER HA H 1 4.930 . A 18 SER HBy H 1 3.977 . A 18 SER HBx H 1 3.676 . A 18 SER C C 13 174.048 . A 18 SER CA C 13 59.003 . A 18 SER CB C 13 63.599 . A 18 SER N N 15 123.228 . A 19 LEU H H 1 9.252 . A 19 LEU HA H 1 4.986 . A 19 LEU HBx H 1 1.614 . A 19 LEU HBy H 1 1.614 . A 19 LEU HD1% H 1 0.297 . A 19 LEU HG H 1 0.782 . A 19 LEU C C 13 178.091 . A 19 LEU CA C 13 53.505 . A 19 LEU CB C 13 45.142 . A 19 LEU CDx C 13 23.319 . A 19 LEU CG C 13 26.090 . A 19 LEU N N 15 125.233 . A 20 SER H H 1 8.209 . A 20 SER HA H 1 3.582 . A 20 SER HBy H 1 4.037 . A 20 SER HBx H 1 3.601 . A 20 SER C C 13 173.521 . A 20 SER CA C 13 60.032 . A 20 SER CB C 13 63.018 . A 20 SER N N 15 111.537 . A 21 GLU H H 1 7.019 . A 21 GLU HA H 1 4.994 . A 21 GLU HBx H 1 1.640 . A 21 GLU HBy H 1 1.640 . A 21 GLU HGx H 1 2.090 . A 21 GLU HGy H 1 2.090 . A 21 GLU CA C 13 52.972 . A 21 GLU CB C 13 32.098 . A 21 GLU N N 15 118.252 . A 22 PRO C C 13 177.048 . A 22 PRO CA C 13 61.123 . A 22 PRO CB C 13 32.051 . A 22 PRO CD C 13 50.240 . A 22 PRO CG C 13 26.284 . A 23 ARG H H 1 8.429 . A 23 ARG HA H 1 4.186 . A 23 ARG HDx H 1 2.662 . A 23 ARG HDy H 1 2.662 . A 23 ARG C C 13 177.882 . A 23 ARG CA C 13 57.211 . A 23 ARG CB C 13 30.892 . A 23 ARG CD C 13 42.280 . A 23 ARG CG C 13 26.719 . A 23 ARG N N 15 120.494 . A 24 GLN H H 1 8.831 . A 24 GLN HA H 1 4.211 . A 24 GLN HGx H 1 2.336 . A 24 GLN HGy H 1 2.336 . A 24 GLN C C 13 175.287 . A 24 GLN CA C 13 56.877 . A 24 GLN CB C 13 28.990 . A 24 GLN CG C 13 33.857 . A 24 GLN N N 15 121.959 . A 25 ASP H H 1 7.744 . A 25 ASP HA H 1 4.505 . A 25 ASP HBy H 1 2.891 . A 25 ASP HBx H 1 2.564 . A 25 ASP C C 13 175.999 . A 25 ASP CA C 13 52.847 . A 25 ASP CB C 13 41.068 . A 25 ASP N N 15 116.784 . A 26 ASN H H 1 8.286 . A 26 ASN HA H 1 4.740 . A 26 ASN HBy H 1 2.950 . A 26 ASN HBx H 1 2.693 . A 26 ASN C C 13 174.690 . A 26 ASN CA C 13 53.461 . A 26 ASN CB C 13 37.952 . A 26 ASN N N 15 116.196 . A 27 SER H H 1 7.550 . A 27 SER HA H 1 4.455 . A 27 SER HBx H 1 3.453 . A 27 SER HBy H 1 3.453 . A 27 SER C C 13 172.433 . A 27 SER CA C 13 57.292 . A 27 SER CB C 13 64.596 . A 27 SER N N 15 113.126 . A 28 PHE H H 1 7.667 . A 28 PHE HA H 1 5.217 . A 28 PHE HBx H 1 2.716 . A 28 PHE HBy H 1 2.716 . A 28 PHE HDx H 1 7.035 . A 28 PHE HDy H 1 7.035 . A 28 PHE C C 13 174.783 . A 28 PHE CA C 13 54.683 . A 28 PHE CB C 13 41.380 . A 28 PHE CDx C 13 129.289 . A 28 PHE N N 15 117.393 . A 29 THR H H 1 7.837 . A 29 THR HA H 1 4.365 . A 29 THR HB H 1 3.313 . A 29 THR HG2% H 1 0.741 . A 29 THR C C 13 171.762 . A 29 THR CA C 13 61.971 . A 29 THR CB C 13 72.905 . A 29 THR CG2 C 13 23.001 . A 29 THR N N 15 115.460 . A 30 THR H H 1 8.326 . A 30 THR HA H 1 5.170 . A 30 THR HB H 1 3.969 . A 30 THR HG2% H 1 1.195 . A 30 THR C C 13 173.243 . A 30 THR CA C 13 62.222 . A 30 THR CB C 13 69.615 . A 30 THR CG2 C 13 21.625 . A 30 THR N N 15 121.078 . A 31 TYR H H 1 9.914 . A 31 TYR HA H 1 5.012 . A 31 TYR HBx H 1 2.962 . A 31 TYR HBy H 1 2.962 . A 31 TYR HDx H 1 7.069 . A 31 TYR HDy H 1 7.069 . A 31 TYR C C 13 175.946 . A 31 TYR CA C 13 56.440 . A 31 TYR CB C 13 41.929 . A 31 TYR CDx C 13 130.490 . A 31 TYR N N 15 126.795 . A 32 THR H H 1 8.825 . A 32 THR HA H 1 4.662 . A 32 THR HB H 1 3.150 . A 32 THR HG2% H 1 1.155 . A 32 THR C C 13 172.185 . A 32 THR CA C 13 61.335 . A 32 THR CB C 13 70.088 . A 32 THR CG2 C 13 21.724 . A 32 THR N N 15 110.890 . A 33 ALA H H 1 7.295 . A 33 ALA HA H 1 3.211 . A 33 ALA HB% H 1 1.112 . A 33 ALA C C 13 175.141 . A 33 ALA CA C 13 50.808 . A 33 ALA CB C 13 21.586 . A 33 ALA N N 15 124.136 . A 34 ALA H H 1 8.271 . A 34 ALA HA H 1 4.122 . A 34 ALA HB% H 1 1.163 . A 34 ALA C C 13 176.994 . A 34 ALA CA C 13 52.066 . A 34 ALA CB C 13 18.892 . A 34 ALA N N 15 121.645 . A 35 GLN H H 1 7.637 . A 35 GLN HA H 1 4.415 . A 35 GLN HBy H 1 1.877 . A 35 GLN HBx H 1 1.594 . A 35 GLN HGx H 1 2.176 . A 35 GLN HGy H 1 2.176 . A 35 GLN C C 13 175.575 . A 35 GLN CA C 13 54.914 . A 35 GLN CB C 13 33.020 . A 35 GLN N N 15 119.661 . A 36 GLU H H 1 8.871 . A 36 GLU HA H 1 4.092 . A 36 GLU HBx H 1 1.942 . A 36 GLU HBy H 1 1.942 . A 36 GLU HGx H 1 2.240 . A 36 GLU HGy H 1 2.240 . A 36 GLU C C 13 177.135 . A 36 GLU CA C 13 57.893 . A 36 GLU CB C 13 29.338 . A 36 GLU CG C 13 35.804 . A 36 GLU N N 15 125.963 . A 37 GLY H H 1 9.099 . A 37 GLY HAy H 1 4.333 . A 37 GLY HAx H 1 3.645 . A 37 GLY C C 13 175.054 . A 37 GLY CA C 13 45.004 . A 37 GLY N N 15 113.741 . A 38 GLN H H 1 7.191 . A 38 GLN HA H 1 4.603 . A 38 GLN HBy H 1 2.516 . A 38 GLN HBx H 1 2.091 . A 38 GLN CA C 13 54.180 . A 38 GLN CB C 13 26.055 . A 38 GLN N N 15 118.051 . A 39 PRO HA H 1 4.304 . A 39 PRO C C 13 177.743 . A 39 PRO CA C 13 62.979 . A 39 PRO CB C 13 32.019 . A 39 PRO CD C 13 50.151 . A 39 PRO CG C 13 27.881 . A 40 GLU H H 1 9.027 . A 40 GLU HA H 1 3.889 . A 40 GLU HBx H 1 2.100 . A 40 GLU HBy H 1 2.100 . A 40 GLU HGx H 1 2.322 . A 40 GLU HGy H 1 2.322 . A 40 GLU C C 13 178.753 . A 40 GLU CA C 13 60.222 . A 40 GLU CB C 13 28.974 . A 40 GLU CG C 13 35.864 . A 40 GLU N N 15 126.958 . A 41 PHE H H 1 8.002 . A 41 PHE HA H 1 3.954 . A 41 PHE HBy H 1 2.843 . A 41 PHE HBx H 1 2.632 . A 41 PHE HDx H 1 7.007 . A 41 PHE HDy H 1 7.007 . A 41 PHE C C 13 175.758 . A 41 PHE CA C 13 59.710 . A 41 PHE CB C 13 36.676 . A 41 PHE N N 15 113.466 . A 42 ILE H H 1 5.768 . A 42 ILE HA H 1 3.139 . A 42 ILE HB H 1 1.475 . A 42 ILE HD1% H 1 0.010 . A 42 ILE HG12 H 1 0.053 . A 42 ILE HG13 H 1 0.053 . A 42 ILE HG2% H 1 0.028 . A 42 ILE C C 13 176.683 . A 42 ILE CA C 13 60.658 . A 42 ILE CB C 13 35.040 . A 42 ILE CG1 C 13 25.255 . A 42 ILE CG2 C 13 15.790 . A 42 ILE N N 15 120.624 . A 43 ASN H H 1 7.181 . A 43 ASN HA H 1 4.346 . A 43 ASN HBx H 1 2.747 . A 43 ASN HBy H 1 2.747 . A 43 ASN HD2x H 1 6.575 . A 43 ASN HD2y H 1 7.567 . A 43 ASN C C 13 179.014 . A 43 ASN CA C 13 55.866 . A 43 ASN CB C 13 36.647 . A 43 ASN N N 15 117.715 . A 43 ASN ND2 N 15 110.152 . A 44 ARG H H 1 8.104 . A 44 ARG HA H 1 3.950 . A 44 ARG HBx H 1 1.624 . A 44 ARG HBy H 1 1.624 . A 44 ARG HDx H 1 3.065 . A 44 ARG HDy H 1 3.065 . A 44 ARG HGy H 1 1.707 . A 44 ARG HGx H 1 1.593 . A 44 ARG C C 13 179.954 . A 44 ARG CA C 13 58.720 . A 44 ARG CB C 13 30.399 . A 44 ARG CD C 13 43.227 . A 44 ARG CG C 13 27.485 . A 44 ARG N N 15 117.153 . A 45 LEU H H 1 7.418 . A 45 LEU HA H 1 3.926 . A 45 LEU HBx H 1 1.837 . A 45 LEU HBy H 1 1.837 . A 45 LEU HD1% H 1 0.827 . A 45 LEU HG H 1 0.772 . A 45 LEU C C 13 177.728 . A 45 LEU CA C 13 57.639 . A 45 LEU CB C 13 41.542 . A 45 LEU CDx C 13 25.207 . A 45 LEU CG C 13 27.111 . A 45 LEU N N 15 121.239 . A 46 PHE H H 1 7.089 . A 46 PHE HA H 1 4.236 . A 46 PHE HBy H 1 3.434 . A 46 PHE HBx H 1 2.625 . A 46 PHE C C 13 176.383 . A 46 PHE CA C 13 61.502 . A 46 PHE CB C 13 39.087 . A 46 PHE N N 15 112.649 . A 47 GLU H H 1 7.308 . A 47 GLU HA H 1 4.202 . A 47 GLU HBy H 1 2.206 . A 47 GLU HBx H 1 1.990 . A 47 GLU HGx H 1 2.459 . A 47 GLU HGy H 1 2.459 . A 47 GLU C C 13 176.265 . A 47 GLU CA C 13 57.046 . A 47 GLU CB C 13 29.335 . A 47 GLU CG C 13 36.585 . A 47 GLU N N 15 117.703 . A 48 ILE H H 1 7.348 . A 48 ILE HA H 1 3.814 . A 48 ILE HB H 1 2.047 . A 48 ILE HD1% H 1 0.720 . A 48 ILE HG12 H 1 1.558 . A 48 ILE HG13 H 1 1.558 . A 48 ILE HG2% H 1 0.675 . A 48 ILE C C 13 175.559 . A 48 ILE CA C 13 60.937 . A 48 ILE CB C 13 37.515 . A 48 ILE CD1 C 13 14.499 . A 48 ILE CG1 C 13 27.116 . A 48 ILE CG2 C 13 17.047 . A 48 ILE N N 15 121.669 . A 49 GLU H H 1 8.682 . A 49 GLU HA H 1 4.017 . A 49 GLU HBx H 1 1.955 . A 49 GLU HBy H 1 1.955 . A 49 GLU HGx H 1 2.207 . A 49 GLU HGy H 1 2.207 . A 49 GLU C C 13 176.607 . A 49 GLU CA C 13 57.934 . A 49 GLU CB C 13 29.197 . A 49 GLU CG C 13 35.905 . A 49 GLU N N 15 130.656 . A 50 GLY H H 1 8.888 . A 50 GLY HAy H 1 4.274 . A 50 GLY HAx H 1 3.419 . A 50 GLY C C 13 174.001 . A 50 GLY CA C 13 44.804 . A 50 GLY N N 15 113.851 . A 51 VAL H H 1 7.318 . A 51 VAL HA H 1 3.568 . A 51 VAL HB H 1 2.027 . A 51 VAL HG1% H 1 0.701 . A 51 VAL HG2% H 1 0.268 . A 51 VAL C C 13 174.683 . A 51 VAL CA C 13 64.701 . A 51 VAL CB C 13 31.347 . A 51 VAL CGy C 13 22.077 . A 51 VAL CGx C 13 20.354 . A 51 VAL N N 15 120.558 . A 52 LYS H H 1 9.071 . A 52 LYS HA H 1 4.526 . A 52 LYS HBx H 1 1.464 . A 52 LYS HBy H 1 1.464 . A 52 LYS HEx H 1 2.943 . A 52 LYS HEy H 1 2.943 . A 52 LYS HGy H 1 1.410 . A 52 LYS HGx H 1 1.191 . A 52 LYS C C 13 175.607 . A 52 LYS CA C 13 57.735 . A 52 LYS CB C 13 35.848 . A 52 LYS CD C 13 29.784 . A 52 LYS CE C 13 41.817 . A 52 LYS CG C 13 24.790 . A 52 LYS N N 15 130.785 . A 53 SER H H 1 7.778 . A 53 SER HA H 1 5.190 . A 53 SER HBx H 1 3.900 . A 53 SER HBy H 1 3.900 . A 53 SER C C 13 172.338 . A 53 SER CA C 13 57.796 . A 53 SER CB C 13 64.534 . A 53 SER N N 15 109.614 . A 54 ILE H H 1 9.048 . A 54 ILE HA H 1 5.169 . A 54 ILE HB H 1 1.731 . A 54 ILE HG1y H 1 1.281 . A 54 ILE HG1x H 1 0.849 . A 54 ILE HG2% H 1 0.860 . A 54 ILE C C 13 173.301 . A 54 ILE CA C 13 60.818 . A 54 ILE CB C 13 43.567 . A 54 ILE CD1 C 13 15.209 . A 54 ILE CG1 C 13 28.266 . A 54 ILE CG2 C 13 18.331 . A 54 ILE N N 15 121.089 . A 55 PHE H H 1 9.186 . A 55 PHE HA H 1 5.670 . A 55 PHE HBx H 1 3.192 . A 55 PHE HBy H 1 3.192 . A 55 PHE C C 13 173.658 . A 55 PHE CA C 13 56.053 . A 55 PHE CB C 13 41.660 . A 55 PHE N N 15 129.754 . A 56 TYR H H 1 8.704 . A 56 TYR HA H 1 5.691 . A 56 TYR HBy H 1 3.243 . A 56 TYR HBx H 1 2.866 . A 56 TYR HDx H 1 7.453 . A 56 TYR HDy H 1 7.453 . A 56 TYR HEx H 1 6.759 . A 56 TYR HEy H 1 6.759 . A 56 TYR C C 13 172.941 . A 56 TYR CA C 13 53.313 . A 56 TYR CB C 13 42.232 . A 56 TYR CDx C 13 129.373 . A 56 TYR N N 15 128.135 . A 57 VAL H H 1 8.269 . A 57 VAL HA H 1 3.959 . A 57 VAL HB H 1 1.491 . A 57 VAL HG1% H 1 0.869 . A 57 VAL HG2% H 1 0.364 . A 57 VAL C C 13 169.379 . A 57 VAL CA C 13 60.144 . A 57 VAL CB C 13 34.017 . A 57 VAL CGy C 13 22.238 . A 57 VAL CGx C 13 21.016 . A 57 VAL N N 15 129.474 . A 58 LEU H H 1 8.807 . A 58 LEU HA H 1 3.714 . A 58 LEU HBy H 1 1.761 . A 58 LEU HBx H 1 1.610 . A 58 LEU HD1% H 1 0.984 . A 58 LEU HD2% H 1 0.931 . A 58 LEU HG H 1 1.702 . A 58 LEU C C 13 174.433 . A 58 LEU CA C 13 56.753 . A 58 LEU CB C 13 41.098 . A 58 LEU CDy C 13 25.191 . A 58 LEU CDx C 13 23.636 . A 58 LEU CG C 13 27.279 . A 58 LEU N N 15 121.980 . A 59 ASP H H 1 8.549 . A 59 ASP HA H 1 4.875 . A 59 ASP HBy H 1 3.238 . A 59 ASP HBx H 1 2.037 . A 59 ASP C C 13 174.191 . A 59 ASP CA C 13 51.853 . A 59 ASP CB C 13 40.239 . A 59 ASP N N 15 121.379 . A 60 PHE H H 1 9.034 . A 60 PHE HA H 1 5.693 . A 60 PHE HBy H 1 3.130 . A 60 PHE HBx H 1 2.899 . A 60 PHE HDx H 1 7.187 . A 60 PHE HDy H 1 7.187 . A 60 PHE C C 13 172.951 . A 60 PHE CA C 13 57.072 . A 60 PHE CB C 13 42.169 . A 60 PHE CDx C 13 129.578 . A 60 PHE N N 15 116.831 . A 61 ILE H H 1 8.757 . A 61 ILE HA H 1 5.814 . A 61 ILE HB H 1 1.737 . A 61 ILE HD1% H 1 0.871 . A 61 ILE HG1y H 1 1.806 . A 61 ILE HG1x H 1 1.219 . A 61 ILE HG2% H 1 0.847 . A 61 ILE C C 13 175.626 . A 61 ILE CA C 13 58.111 . A 61 ILE CB C 13 41.143 . A 61 ILE CD1 C 13 14.464 . A 61 ILE CG1 C 13 26.186 . A 61 ILE CG2 C 13 18.760 . A 61 ILE N N 15 109.598 . A 62 SER H H 1 9.728 . A 62 SER HA H 1 5.496 . A 62 SER HBx H 1 3.871 . A 62 SER HBy H 1 3.871 . A 62 SER C C 13 174.703 . A 62 SER CA C 13 56.703 . A 62 SER CB C 13 64.316 . A 62 SER N N 15 119.961 . A 63 ILE H H 1 9.463 . A 63 ILE HA H 1 4.732 . A 63 ILE HB H 1 1.902 . A 63 ILE HG2% H 1 0.983 . A 63 ILE C C 13 173.944 . A 63 ILE CA C 13 60.654 . A 63 ILE CB C 13 41.392 . A 63 ILE CD1 C 13 15.120 . A 63 ILE CG1 C 13 27.440 . A 63 ILE CG2 C 13 17.349 . A 63 ILE N N 15 127.610 . A 64 ASP H H 1 9.264 . A 64 ASP HA H 1 6.139 . A 64 ASP HBy H 1 2.813 . A 64 ASP HBx H 1 2.421 . A 64 ASP C C 13 176.265 . A 64 ASP CA C 13 52.087 . A 64 ASP CB C 13 41.563 . A 64 ASP N N 15 127.540 . A 65 LYS H H 1 9.026 . A 65 LYS HA H 1 5.154 . A 65 LYS HBx H 1 0.958 . A 65 LYS HBy H 1 0.958 . A 65 LYS HGx H 1 0.424 . A 65 LYS HGy H 1 0.424 . A 65 LYS C C 13 175.955 . A 65 LYS CA C 13 52.694 . A 65 LYS CB C 13 35.768 . A 65 LYS N N 15 120.570 . A 66 GLU H H 1 8.105 . A 66 GLU HA H 1 4.198 . A 66 GLU HBx H 1 2.048 . A 66 GLU HBy H 1 2.048 . A 66 GLU HGx H 1 2.339 . A 66 GLU HGy H 1 2.339 . A 66 GLU C C 13 178.596 . A 66 GLU CA C 13 55.757 . A 66 GLU CB C 13 30.317 . A 66 GLU CG C 13 35.188 . A 66 GLU N N 15 118.563 . A 67 ASP H H 1 8.947 . A 67 ASP HA H 1 4.742 . A 67 ASP HBx H 1 2.589 . A 67 ASP HBy H 1 2.589 . A 67 ASP C C 13 177.242 . A 67 ASP CA C 13 57.874 . A 67 ASP CB C 13 40.998 . A 67 ASP N N 15 123.378 . A 68 ASN H H 1 8.174 . A 68 ASN HA H 1 4.551 . A 68 ASN HBy H 1 2.810 . A 68 ASN HBx H 1 2.616 . A 68 ASN C C 13 175.246 . A 68 ASN CA C 13 53.013 . A 68 ASN CB C 13 37.929 . A 68 ASN N N 15 111.133 . A 69 ALA H H 1 7.204 . A 69 ALA HA H 1 4.430 . A 69 ALA HB% H 1 1.273 . A 69 ALA C C 13 175.802 . A 69 ALA CA C 13 50.954 . A 69 ALA CB C 13 20.234 . A 69 ALA N N 15 122.453 . A 70 ASN H H 1 9.005 . A 70 ASN HA H 1 5.008 . A 70 ASN HBy H 1 2.846 . A 70 ASN HBx H 1 2.700 . A 70 ASN HD2x H 1 6.988 . A 70 ASN HD2y H 1 7.711 . A 70 ASN C C 13 176.841 . A 70 ASN CA C 13 51.406 . A 70 ASN CB C 13 41.539 . A 70 ASN N N 15 119.024 . A 70 ASN ND2 N 15 112.888 . A 71 TRP H H 1 9.499 . A 71 TRP HA H 1 4.747 . A 71 TRP HBx H 1 3.276 . A 71 TRP HBy H 1 3.276 . A 71 TRP HD1 H 1 7.418 . A 71 TRP HE1 H 1 9.910 . A 71 TRP HZ2 H 1 7.492 . A 71 TRP C C 13 177.470 . A 71 TRP CA C 13 61.027 . A 71 TRP CB C 13 29.770 . A 71 TRP CD1 C 13 124.962 . A 71 TRP CZ2 C 13 112.301 . A 71 TRP N N 15 126.397 . A 72 ASN H H 1 8.937 . A 72 ASN HA H 1 4.511 . A 72 ASN HBx H 1 2.834 . A 72 ASN HBy H 1 2.834 . A 72 ASN C C 13 176.805 . A 72 ASN CA C 13 56.024 . A 72 ASN CB C 13 37.365 . A 72 ASN N N 15 115.692 . A 73 GLU H H 1 7.357 . A 73 GLU HA H 1 4.391 . A 73 GLU HBx H 1 2.263 . A 73 GLU HBy H 1 2.263 . A 73 GLU HGx H 1 2.252 . A 73 GLU HGy H 1 2.252 . A 73 GLU C C 13 179.215 . A 73 GLU CA C 13 57.157 . A 73 GLU CB C 13 30.612 . A 73 GLU CG C 13 36.608 . A 73 GLU N N 15 116.213 . A 74 LEU H H 1 7.984 . A 74 LEU HA H 1 4.188 . A 74 LEU HBy H 1 1.830 . A 74 LEU HBx H 1 1.467 . A 74 LEU HD1% H 1 0.412 . A 74 LEU HG H 1 1.546 . A 74 LEU C C 13 179.245 . A 74 LEU CA C 13 58.085 . A 74 LEU CB C 13 44.123 . A 74 LEU CDy C 13 25.812 . A 74 LEU CDx C 13 24.657 . A 74 LEU CG C 13 27.242 . A 74 LEU N N 15 121.127 . A 75 LEU H H 1 9.207 . A 75 LEU HA H 1 4.570 . A 75 LEU HBy H 1 2.080 . A 75 LEU HBx H 1 1.647 . A 75 LEU CA C 13 60.668 . A 75 LEU CB C 13 39.050 . A 75 LEU N N 15 119.425 . A 76 PRO HA H 1 4.409 . A 76 PRO HBy H 1 2.356 . A 76 PRO HBx H 1 1.791 . A 76 PRO HDy H 1 3.617 . A 76 PRO HDx H 1 3.501 . A 76 PRO HGy H 1 2.116 . A 76 PRO HGx H 1 2.004 . A 76 PRO C C 13 179.797 . A 76 PRO CA C 13 65.933 . A 76 PRO CB C 13 31.047 . A 76 PRO CD C 13 50.399 . A 76 PRO CG C 13 28.514 . A 77 GLN H H 1 6.754 . A 77 GLN HA H 1 4.204 . A 77 GLN HBx H 1 2.224 . A 77 GLN HBy H 1 2.224 . A 77 GLN HGx H 1 2.562 . A 77 GLN HGy H 1 2.562 . A 77 GLN C C 13 179.293 . A 77 GLN CA C 13 58.629 . A 77 GLN CB C 13 30.569 . A 77 GLN CG C 13 35.216 . A 77 GLN N N 15 113.763 . A 78 ILE H H 1 8.495 . A 78 ILE HA H 1 3.411 . A 78 ILE HB H 1 1.892 . A 78 ILE HG2% H 1 0.873 . A 78 ILE C C 13 178.185 . A 78 ILE CA C 13 65.848 . A 78 ILE CB C 13 38.221 . A 78 ILE CG1 C 13 29.387 . A 78 ILE CG2 C 13 15.641 . A 78 ILE N N 15 123.926 . A 79 GLU H H 1 8.752 . A 79 GLU HA H 1 3.917 . A 79 GLU HBx H 1 2.043 . A 79 GLU HBy H 1 2.043 . A 79 GLU HGx H 1 2.363 . A 79 GLU HGy H 1 2.363 . A 79 GLU C C 13 179.921 . A 79 GLU CA C 13 60.407 . A 79 GLU CB C 13 29.681 . A 79 GLU CG C 13 36.734 . A 79 GLU N N 15 119.033 . A 80 ASN H H 1 8.064 . A 80 ASN HA H 1 4.547 . A 80 ASN HBx H 1 2.879 . A 80 ASN HBy H 1 2.879 . A 80 ASN C C 13 177.064 . A 80 ASN CA C 13 55.810 . A 80 ASN CB C 13 38.614 . A 80 ASN N N 15 117.149 . A 81 THR H H 1 7.889 . A 81 THR HA H 1 3.869 . A 81 THR HB H 1 4.130 . A 81 THR HG2% H 1 0.902 . A 81 THR C C 13 175.771 . A 81 THR CA C 13 66.522 . A 81 THR CB C 13 68.487 . A 81 THR CG2 C 13 21.639 . A 81 THR N N 15 115.042 . A 82 PHE H H 1 7.510 . A 82 PHE HA H 1 4.259 . A 82 PHE HBy H 1 3.252 . A 82 PHE HBx H 1 2.853 . A 82 PHE HDx H 1 7.245 . A 82 PHE HDy H 1 7.245 . A 82 PHE C C 13 176.596 . A 82 PHE CA C 13 60.309 . A 82 PHE CB C 13 39.645 . A 82 PHE N N 15 119.325 . A 83 ALA H H 1 7.809 . A 83 ALA HA H 1 4.283 . A 83 ALA HB% H 1 1.496 . A 83 ALA C C 13 178.843 . A 83 ALA CA C 13 54.045 . A 83 ALA CB C 13 18.895 . A 83 ALA N N 15 122.718 . A 84 LYS H H 1 8.154 . A 84 LYS HA H 1 4.209 . A 84 LYS HBx H 1 1.810 . A 84 LYS HBy H 1 1.810 . A 84 LYS HEx H 1 2.899 . A 84 LYS HEy H 1 2.899 . A 84 LYS HGx H 1 1.443 . A 84 LYS C C 13 177.359 . A 84 LYS CA C 13 57.244 . A 84 LYS CB C 13 32.663 . A 84 LYS CD C 13 28.980 . A 84 LYS CE C 13 41.938 . A 84 LYS CG C 13 25.017 . A 84 LYS N N 15 118.786 . A 85 SER H H 1 8.008 . A 85 SER HA H 1 4.346 . A 85 SER HBx H 1 3.845 . A 85 SER HBy H 1 3.845 . A 85 SER C C 13 174.538 . A 85 SER CA C 13 59.102 . A 85 SER CB C 13 63.579 . A 85 SER N N 15 115.315 . A 86 ASN H H 1 8.219 . A 86 ASN HA H 1 4.713 . A 86 ASN HBx H 1 2.795 . A 86 ASN HBy H 1 2.795 . A 86 ASN C C 13 175.351 . A 86 ASN CA C 13 53.706 . A 86 ASN CB C 13 38.902 . A 86 ASN N N 15 120.040 . A 87 LEU H H 1 8.011 . A 87 LEU HA H 1 4.206 . A 87 LEU HBx H 1 1.561 . A 87 LEU HBy H 1 1.561 . A 87 LEU C C 13 177.488 . A 87 LEU CA C 13 55.714 . A 87 LEU CB C 13 42.211 . A 87 LEU CDy C 13 24.843 . A 87 LEU CDx C 13 23.253 . A 87 LEU CG C 13 26.638 . A 87 LEU N N 15 121.439 . A 88 GLU H H 1 8.154 . A 88 GLU HA H 1 4.738 . A 88 GLU HBx H 1 1.858 . A 88 GLU HBy H 1 1.858 . A 88 GLU HGx H 1 2.146 . A 88 GLU HGy H 1 2.146 . A 88 GLU CA C 13 56.651 . A 88 GLU CB C 13 30.196 . A 88 GLU N N 15 120.073 . 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 2 GLU H A 19 LEU HG 1.0 1.8 5.60 2 2 A 2 GLU H A 19 LEU HD21 1.0 1.8 5.99 3 3 A 2 GLU H A 20 SER H 1.0 1.8 4.99 4 4 A 2 GLU H A 20 SER HBy 1.0 1.8 5.27 5 4 A 2 GLU H A 20 SER HBx 1.0 1.8 5.27 6 5 A 2 GLU H A 21 GLU HA 1.0 1.8 5.66 7 6 A 2 GLU H A 21 GLU H 1.0 1.8 6.00 8 7 A 3 ILE H A 2 GLU HBx 1.0 1.8 4.04 9 7 A 2 GLU HBy A 3 ILE H 1.0 1.8 4.04 10 8 A 3 ILE HA A 3 ILE HD1% 1.0 1.8 4.99 11 9 A 3 ILE HA A 4 ILE HB 1.0 1.8 5.94 12 10 A 3 ILE HA A 5 ALA H 1.0 1.8 4.29 13 11 A 3 ILE HA A 19 LEU HBx 1.0 1.8 5.77 14 11 A 3 ILE HA A 19 LEU HBy 1.0 1.8 5.77 15 12 A 19 LEU HD21 A 3 ILE HA 1.0 1.8 4.66 16 13 A 3 ILE HD1% A 3 ILE HB 1.0 1.8 4.20 17 14 A 3 ILE H A 3 ILE HD1% 1.0 1.8 4.46 18 15 A 3 ILE H A 3 ILE HG1y 1.0 1.8 4.41 19 15 A 3 ILE H A 3 ILE HG1x 1.0 1.8 4.41 20 16 A 3 ILE H A 3 ILE HG2% 1.0 1.8 4.44 21 17 A 3 ILE H A 82 PHE H 1.0 1.8 6.00 22 18 A 3 ILE H A 82 PHE HBx 1.0 1.8 4.72 23 18 A 3 ILE H A 82 PHE HBy 1.0 1.8 4.72 24 19 A 3 ILE H A 82 PHE HD% 1.0 1.8 6.00 25 20 A 3 ILE HD1% A 4 ILE H 1.0 1.8 4.86 26 21 A 3 ILE HD1% A 5 ALA HA 1.0 1.8 6.00 27 22 A 3 ILE HD1% A 5 ALA H 1.0 1.8 5.15 28 23 A 3 ILE HD1% A 78 ILE HG2% 1.0 1.8 5.16 29 24 A 3 ILE HD1% A 79 GLU HA 1.0 1.8 4.25 30 25 A 3 ILE HD1% A 79 GLU H 1.0 1.8 5.53 31 26 A 3 ILE HD1% A 79 GLU HBx 1.0 1.8 5.20 32 26 A 3 ILE HD1% A 79 GLU HBy 1.0 1.8 5.20 33 27 A 3 ILE HD1% A 79 GLU HGx 1.0 1.8 5.14 34 27 A 3 ILE HD1% A 79 GLU HGy 1.0 1.8 5.14 35 28 A 3 ILE HD1% A 82 PHE HBx 1.0 1.8 4.74 36 28 A 3 ILE HD1% A 82 PHE HBy 1.0 1.8 4.74 37 29 A 3 ILE HD1% A 82 PHE HD% 1.0 1.8 4.18 38 30 A 4 ILE H A 3 ILE HG1y 1.0 1.8 5.56 39 30 A 3 ILE HG1x A 4 ILE H 1.0 1.8 5.56 40 31 A 82 PHE HD% A 3 ILE HG1y 1.0 1.8 5.81 41 31 A 3 ILE HG1x A 82 PHE HD% 1.0 1.8 5.81 42 32 A 3 ILE HG2% A 4 ILE H 1.0 1.8 4.31 43 33 A 3 ILE HG2% A 5 ALA HA 1.0 1.8 6.00 44 34 A 5 ALA H A 3 ILE HG2% 1.0 1.8 5.11 45 35 A 4 ILE HA A 4 ILE HG2% 1.0 1.8 4.20 46 36 A 4 ILE HA A 5 ALA HB% 1.0 1.8 5.85 47 37 A 4 ILE HA A 19 LEU HBx 1.0 1.8 4.58 48 37 A 19 LEU HBy A 4 ILE HA 1.0 1.8 4.58 49 38 A 20 SER H A 4 ILE HA 1.0 1.8 5.72 50 39 A 4 ILE HB A 5 ALA H 1.0 1.8 5.13 51 40 A 4 ILE HB A 18 SER H 1.0 1.8 5.20 52 41 A 4 ILE HB A 18 SER HBx 1.0 1.8 6.00 53 42 A 4 ILE HB A 18 SER HBy 1.0 1.8 6.00 54 43 A 5 ALA H A 4 ILE H 1.0 1.8 4.12 55 44 A 4 ILE H A 5 ALA HB% 1.0 1.8 5.04 56 45 A 4 ILE H A 17 VAL HG1% 1.0 1.8 4.93 57 45 A 4 ILE H A 17 VAL HG2% 1.0 1.8 4.93 58 46 A 4 ILE H A 17 VAL HG1% 1.0 1.8 5.96 59 47 A 4 ILE H A 17 VAL HG2% 1.0 1.8 5.96 60 48 A 4 ILE H A 18 SER H 1.0 1.8 5.48 61 49 A 4 ILE H A 19 LEU HA 1.0 1.8 5.25 62 50 A 19 LEU HG A 4 ILE H 1.0 1.8 6.00 63 51 A 4 ILE H A 19 LEU HBx 1.0 1.8 4.68 64 51 A 19 LEU HBy A 4 ILE H 1.0 1.8 4.68 65 52 A 19 LEU HD21 A 4 ILE H 1.0 1.8 5.53 66 53 A 19 LEU HA A 4 ILE HG1x 1.0 1.8 4.94 67 53 A 19 LEU HA A 4 ILE HG1y 1.0 1.8 4.94 68 54 A 19 LEU H A 4 ILE HG1x 1.0 1.8 4.84 69 54 A 4 ILE HG1y A 19 LEU H 1.0 1.8 4.84 70 55 A 20 SER H A 4 ILE HG1x 1.0 1.8 4.67 71 55 A 20 SER H A 4 ILE HG1y 1.0 1.8 4.67 72 56 A 4 ILE HG2% A 5 ALA HB% 1.0 1.8 4.56 73 57 A 5 ALA HA A 6 ILE HB 1.0 1.8 5.28 74 58 A 5 ALA HA A 6 ILE HG2% 1.0 1.8 6.00 75 59 A 5 ALA H A 6 ILE H 1.0 1.8 5.14 76 60 A 5 ALA H A 18 SER H 1.0 1.8 4.58 77 61 A 5 ALA H A 18 SER HBx 1.0 1.8 5.53 78 62 A 5 ALA H A 18 SER HBy 1.0 1.8 5.19 79 63 A 5 ALA H A 19 LEU HA 1.0 1.8 5.13 80 64 A 5 ALA H A 19 LEU HBx 1.0 1.8 4.33 81 64 A 5 ALA H A 19 LEU HBy 1.0 1.8 4.33 82 65 A 5 ALA HB% A 6 ILE H 1.0 1.8 4.20 83 66 A 5 ALA HB% A 18 SER H 1.0 1.8 5.04 84 67 A 5 ALA HB% A 18 SER HBx 1.0 1.8 5.16 85 68 A 5 ALA HB% A 18 SER HBy 1.0 1.8 4.64 86 69 A 5 ALA HB% A 19 LEU H 1.0 1.8 6.00 87 70 A 6 ILE HB A 7 SER H 1.0 1.8 5.98 88 71 A 6 ILE H A 7 SER H 1.0 1.8 5.72 89 72 A 18 SER H A 6 ILE H 1.0 1.8 6.00 90 73 A 18 SER HBy A 6 ILE H 1.0 1.8 5.83 91 74 A 18 SER H A 6 ILE HG2% 1.0 1.8 5.24 92 75 A 7 SER H A 8 GLU H 1.0 1.8 5.13 93 76 A 7 SER H A 8 GLU HGx 1.0 1.8 6.00 94 76 A 7 SER H A 8 GLU HGy 1.0 1.8 6.00 95 77 A 7 SER H A 15 MET HBx 1.0 1.8 5.20 96 77 A 7 SER H A 15 MET HBy 1.0 1.8 5.20 97 78 A 7 SER H A 16 LYS H 1.0 1.8 5.08 98 79 A 7 SER H A 16 LYS HBx 1.0 1.8 4.68 99 79 A 7 SER H A 16 LYS HBy 1.0 1.8 4.68 100 80 A 7 SER H A 17 VAL HB 1.0 1.8 6.00 101 81 A 7 SER H A 17 VAL H 1.0 1.8 5.87 102 82 A 8 GLU H A 7 SER HBy 1.0 1.8 4.15 103 82 A 8 GLU H A 7 SER HBx 1.0 1.8 4.15 104 83 A 9 THR HA A 7 SER HBy 1.0 1.8 5.81 105 83 A 7 SER HBx A 9 THR HA 1.0 1.8 5.81 106 84 A 9 THR HB A 7 SER HBy 1.0 1.8 5.27 107 84 A 7 SER HBx A 9 THR HB 1.0 1.8 5.27 108 85 A 9 THR HG2% A 7 SER HBy 1.0 1.8 4.90 109 85 A 7 SER HBx A 9 THR HG2% 1.0 1.8 4.90 110 86 A 7 SER HBy A 15 MET HBx 1.0 1.8 5.80 111 86 A 7 SER HBx A 15 MET HBx 1.0 1.8 5.80 112 86 A 15 MET HBy A 7 SER HBy 1.0 1.8 5.80 113 86 A 15 MET HBy A 7 SER HBx 1.0 1.8 5.80 114 87 A 16 LYS H A 7 SER HBy 1.0 1.8 5.81 115 87 A 16 LYS H A 7 SER HBx 1.0 1.8 5.81 116 88 A 7 SER HBy A 16 LYS HBx 1.0 1.8 4.44 117 88 A 7 SER HBx A 16 LYS HBx 1.0 1.8 4.44 118 88 A 16 LYS HBy A 7 SER HBy 1.0 1.8 4.44 119 88 A 16 LYS HBy A 7 SER HBx 1.0 1.8 4.44 120 89 A 8 GLU H A 7 SER HBx 1.0 1.8 4.97 121 90 A 7 SER HBx A 16 LYS HBx 1.0 1.8 5.91 122 91 A 16 LYS HBy A 7 SER HBx 1.0 1.8 5.91 123 92 A 8 GLU H A 7 SER HBy 1.0 1.8 4.97 124 93 A 7 SER HBy A 16 LYS HBx 1.0 1.8 5.91 125 94 A 16 LYS HBy A 7 SER HBy 1.0 1.8 5.91 126 95 A 8 GLU H A 8 GLU HGx 1.0 1.8 4.00 127 95 A 8 GLU H A 8 GLU HGy 1.0 1.8 4.00 128 96 A 8 GLU H A 15 MET HBx 1.0 1.8 6.00 129 96 A 8 GLU H A 15 MET HBy 1.0 1.8 6.00 130 97 A 8 GLU H A 16 LYS H 1.0 1.8 6.00 131 98 A 9 THR HA A 8 GLU HBy 1.0 1.8 5.27 132 98 A 9 THR HA A 8 GLU HBx 1.0 1.8 5.27 133 99 A 9 THR HG2% A 8 GLU HBy 1.0 1.8 5.23 134 99 A 9 THR HG2% A 8 GLU HBx 1.0 1.8 5.23 135 100 A 9 THR HG2% A 8 GLU HBx 1.0 1.8 5.93 136 101 A 9 THR HG2% A 8 GLU HBy 1.0 1.8 5.93 137 102 A 9 THR H A 8 GLU HGx 1.0 1.8 4.30 138 102 A 8 GLU HGy A 9 THR H 1.0 1.8 4.30 139 103 A 9 THR HG2% A 8 GLU HGx 1.0 1.8 5.80 140 103 A 8 GLU HGy A 9 THR HG2% 1.0 1.8 5.80 141 104 A 16 LYS H A 8 GLU HGx 1.0 1.8 5.65 142 104 A 8 GLU HGy A 16 LYS H 1.0 1.8 5.65 143 105 A 9 THR HG2% A 9 THR H 1.0 1.8 4.43 144 106 A 9 THR H A 10 PRO HA 1.0 1.8 5.56 145 107 A 9 THR H A 11 ASN H 1.0 1.8 5.62 146 108 A 9 THR H A 11 ASN HBx 1.0 1.8 5.62 147 108 A 9 THR H A 11 ASN HBy 1.0 1.8 5.62 148 109 A 9 THR H A 15 MET HA 1.0 1.8 4.84 149 110 A 9 THR HG2% A 11 ASN H 1.0 1.8 5.09 150 111 A 9 THR HG2% A 14 THR HB 1.0 1.8 4.99 151 112 A 9 THR HG2% A 14 THR H 1.0 1.8 5.18 152 113 A 9 THR HG2% A 15 MET HA 1.0 1.8 4.87 153 114 A 16 LYS H A 9 THR HG2% 1.0 1.8 4.46 154 115 A 9 THR HG2% A 16 LYS HBx 1.0 1.8 4.20 155 115 A 16 LYS HBy A 9 THR HG2% 1.0 1.8 4.20 156 116 A 9 THR HG2% A 16 LYS HBx 1.0 1.8 4.84 157 117 A 16 LYS HBy A 9 THR HG2% 1.0 1.8 4.84 158 118 A 11 ASN H A 14 THR HB 1.0 1.8 6.00 159 119 A 11 ASN H A 14 THR H 1.0 1.8 5.69 160 120 A 14 THR HB A 11 ASN HBx 1.0 1.8 4.61 161 120 A 11 ASN HBy A 14 THR HB 1.0 1.8 4.61 162 121 A 14 THR HG2% A 11 ASN HBx 1.0 1.8 5.48 163 121 A 11 ASN HBy A 14 THR HG2% 1.0 1.8 5.48 164 122 A 12 HIS H A 11 ASN HBx 1.0 1.8 4.78 165 123 A 14 THR HB A 11 ASN HBx 1.0 1.8 5.43 166 124 A 11 ASN HBy A 12 HIS H 1.0 1.8 4.78 167 125 A 11 ASN HBy A 14 THR HB 1.0 1.8 5.43 168 126 A 14 THR H A 12 HIS HA 1.0 1.8 4.93 169 127 A 12 HIS H A 13 ASN H 1.0 1.8 5.77 170 128 A 12 HIS H A 13 ASN HBx 1.0 1.8 5.49 171 128 A 12 HIS H A 13 ASN HBy 1.0 1.8 5.49 172 129 A 14 THR HB A 12 HIS H 1.0 1.8 5.67 173 130 A 14 THR H A 12 HIS H 1.0 1.8 5.68 174 131 A 14 THR HG2% A 12 HIS H 1.0 1.8 5.70 175 132 A 13 ASN HA A 69 ALA H 1.0 1.8 5.37 176 133 A 13 ASN HA A 71 TRP HE1 1.0 1.8 5.79 177 134 A 14 THR HB A 13 ASN H 1.0 1.8 5.95 178 135 A 14 THR H A 13 ASN H 1.0 1.8 4.49 179 136 A 13 ASN H A 65 LYS H 1.0 1.8 6.00 180 137 A 13 ASN H A 69 ALA H 1.0 1.8 5.68 181 138 A 13 ASN H A 71 TRP HE1 1.0 1.8 6.00 182 139 A 14 THR H A 13 ASN HBx 1.0 1.8 4.36 183 139 A 14 THR H A 13 ASN HBy 1.0 1.8 4.36 184 140 A 69 ALA H A 13 ASN HBx 1.0 1.8 5.18 185 140 A 13 ASN HBy A 69 ALA H 1.0 1.8 5.18 186 141 A 69 ALA HB% A 13 ASN HBx 1.0 1.8 5.19 187 141 A 13 ASN HBy A 69 ALA HB% 1.0 1.8 5.19 188 142 A 70 ASN H A 13 ASN HBx 1.0 1.8 5.81 189 142 A 13 ASN HBy A 70 ASN H 1.0 1.8 5.81 190 143 A 14 THR H A 13 ASN HBx 1.0 1.8 5.21 191 144 A 65 LYS H A 13 ASN HBx 1.0 1.8 6.00 192 145 A 14 THR H A 13 ASN HBy 1.0 1.8 5.21 193 146 A 13 ASN HBy A 65 LYS H 1.0 1.8 6.00 194 147 A 14 THR HA A 63 ILE H 1.0 1.8 5.81 195 148 A 14 THR HA A 71 TRP HZ2 1.0 1.8 5.08 196 149 A 15 MET HA A 14 THR HB 1.0 1.8 5.55 197 150 A 14 THR HB A 15 MET H 1.0 1.8 5.55 198 151 A 14 THR H A 14 THR HG2% 1.0 1.8 4.66 199 152 A 14 THR H A 15 MET H 1.0 1.8 5.17 200 153 A 14 THR H A 71 TRP HE1 1.0 1.8 5.26 201 154 A 15 MET HA A 14 THR HG2% 1.0 1.8 4.81 202 155 A 14 THR HG2% A 15 MET H 1.0 1.8 4.12 203 156 A 14 THR HG2% A 62 SER HA 1.0 1.8 5.37 204 157 A 14 THR HG2% A 62 SER HBx 1.0 1.8 4.26 205 157 A 14 THR HG2% A 62 SER HBy 1.0 1.8 4.26 206 158 A 14 THR HG2% A 63 ILE HB 1.0 1.8 5.64 207 159 A 14 THR HG2% A 64 ASP HA 1.0 1.8 5.65 208 160 A 14 THR HG2% A 64 ASP HBx 1.0 1.8 5.81 209 160 A 14 THR HG2% A 64 ASP HBy 1.0 1.8 5.81 210 161 A 14 THR HG2% A 71 TRP HZ2 1.0 1.8 5.24 211 162 A 15 MET H A 62 SER HA 1.0 1.8 5.79 212 163 A 15 MET H A 63 ILE HB 1.0 1.8 5.31 213 164 A 63 ILE H A 15 MET H 1.0 1.8 5.21 214 165 A 71 TRP HZ2 A 15 MET H 1.0 1.8 5.19 215 166 A 16 LYS H A 15 MET HBx 1.0 1.8 4.06 216 166 A 15 MET HBy A 16 LYS H 1.0 1.8 4.06 217 167 A 15 MET HBx A 16 LYS HBx 1.0 1.8 5.14 218 167 A 15 MET HBy A 16 LYS HBx 1.0 1.8 5.14 219 167 A 16 LYS HBy A 15 MET HBx 1.0 1.8 5.14 220 167 A 15 MET HBy A 16 LYS HBy 1.0 1.8 5.14 221 168 A 17 VAL H A 15 MET HBx 1.0 1.8 5.80 222 168 A 15 MET HBy A 17 VAL H 1.0 1.8 5.80 223 169 A 62 SER HA A 16 LYS HA 1.0 1.8 5.05 224 170 A 63 ILE H A 16 LYS HA 1.0 1.8 5.20 225 171 A 16 LYS H A 17 VAL H 1.0 1.8 5.54 226 172 A 16 LYS H A 62 SER HA 1.0 1.8 5.81 227 173 A 18 SER HBx A 16 LYS HBx 1.0 1.8 5.81 228 173 A 18 SER HBx A 16 LYS HBy 1.0 1.8 5.81 229 174 A 18 SER HBx A 16 LYS HGy 1.0 1.8 5.81 230 174 A 18 SER HBx A 16 LYS HGx 1.0 1.8 5.81 231 175 A 18 SER HBy A 16 LYS HGy 1.0 1.8 5.81 232 175 A 18 SER HBy A 16 LYS HGx 1.0 1.8 5.81 233 176 A 62 SER HA A 16 LYS HGy 1.0 1.8 5.40 234 176 A 62 SER HA A 16 LYS HGx 1.0 1.8 5.40 235 177 A 16 LYS HGx A 62 SER HBx 1.0 1.8 5.49 236 177 A 16 LYS HGy A 62 SER HBx 1.0 1.8 5.49 237 177 A 62 SER HBy A 16 LYS HGy 1.0 1.8 5.49 238 177 A 62 SER HBy A 16 LYS HGx 1.0 1.8 5.49 239 178 A 18 SER H A 17 VAL HB 1.0 1.8 5.54 240 179 A 17 VAL HB A 61 ILE H 1.0 1.8 5.44 241 180 A 17 VAL HB A 61 ILE HG1y 1.0 1.8 4.56 242 180 A 17 VAL HB A 61 ILE HG1x 1.0 1.8 4.56 243 181 A 17 VAL HB A 61 ILE HG1y 1.0 1.8 5.21 244 181 A 17 VAL HB A 61 ILE HG1x 1.0 1.8 5.21 245 182 A 17 VAL HB A 61 ILE HG1y 1.0 1.8 5.21 246 182 A 17 VAL HB A 61 ILE HG1x 1.0 1.8 5.21 247 183 A 17 VAL HB A 62 SER H 1.0 1.8 5.99 248 184 A 18 SER H A 17 VAL H 1.0 1.8 5.64 249 185 A 19 LEU HD21 A 17 VAL H 1.0 1.8 6.00 250 186 A 17 VAL H A 60 PHE HBx 1.0 1.8 5.80 251 187 A 17 VAL H A 60 PHE HBy 1.0 1.8 6.00 252 188 A 17 VAL H A 60 PHE HD% 1.0 1.8 5.84 253 189 A 17 VAL H A 61 ILE HB 1.0 1.8 5.17 254 190 A 17 VAL H A 61 ILE H 1.0 1.8 5.13 255 191 A 17 VAL H A 62 SER HA 1.0 1.8 5.23 256 192 A 17 VAL H A 62 SER HBx 1.0 1.8 5.80 257 192 A 17 VAL H A 62 SER HBy 1.0 1.8 5.80 258 193 A 17 VAL H A 63 ILE H 1.0 1.8 5.89 259 194 A 18 SER H A 17 VAL HG1% 1.0 1.8 4.38 260 194 A 18 SER H A 17 VAL HG2% 1.0 1.8 4.38 261 195 A 18 SER HBx A 17 VAL HG1% 1.0 1.8 5.75 262 195 A 18 SER HBx A 17 VAL HG2% 1.0 1.8 5.75 263 196 A 19 LEU H A 17 VAL HG1% 1.0 1.8 5.57 264 196 A 17 VAL HG2% A 19 LEU H 1.0 1.8 5.57 265 197 A 17 VAL HG2% A 19 LEU HBx 1.0 1.8 4.88 266 197 A 17 VAL HG1% A 19 LEU HBx 1.0 1.8 4.88 267 197 A 19 LEU HBy A 17 VAL HG1% 1.0 1.8 4.88 268 197 A 19 LEU HBy A 17 VAL HG2% 1.0 1.8 4.88 269 198 A 19 LEU HD21 A 17 VAL HG1% 1.0 1.8 4.09 270 198 A 19 LEU HD21 A 17 VAL HG2% 1.0 1.8 4.09 271 199 A 61 ILE H A 17 VAL HG1% 1.0 1.8 5.72 272 199 A 17 VAL HG2% A 61 ILE H 1.0 1.8 5.72 273 200 A 62 SER HA A 17 VAL HG1% 1.0 1.8 5.92 274 200 A 17 VAL HG2% A 62 SER HA 1.0 1.8 5.92 275 201 A 18 SER HA A 60 PHE HA 1.0 1.8 5.18 276 202 A 60 PHE HBx A 18 SER HA 1.0 1.8 5.39 277 203 A 60 PHE HBy A 18 SER HA 1.0 1.8 5.09 278 204 A 61 ILE H A 18 SER HA 1.0 1.8 5.30 279 205 A 18 SER H A 19 LEU H 1.0 1.8 5.28 280 206 A 18 SER H A 60 PHE HA 1.0 1.8 5.40 281 207 A 18 SER H A 60 PHE HBy 1.0 1.8 6.00 282 208 A 18 SER H A 61 ILE H 1.0 1.8 5.69 283 209 A 18 SER HBx A 19 LEU H 1.0 1.8 5.29 284 210 A 18 SER HBx A 19 LEU HBx 1.0 1.8 6.00 285 210 A 19 LEU HBy A 18 SER HBx 1.0 1.8 6.00 286 211 A 18 SER HBy A 19 LEU H 1.0 1.8 5.36 287 212 A 19 LEU HD21 A 19 LEU HA 1.0 1.8 4.42 288 213 A 19 LEU HG A 21 GLU H 1.0 1.8 4.70 289 214 A 19 LEU HD21 A 19 LEU H 1.0 1.8 4.79 290 215 A 20 SER H A 19 LEU H 1.0 1.8 5.40 291 216 A 21 GLU H A 19 LEU H 1.0 1.8 5.15 292 217 A 19 LEU H A 21 GLU HGx 1.0 1.8 5.69 293 217 A 19 LEU H A 21 GLU HGy 1.0 1.8 5.69 294 218 A 19 LEU H A 60 PHE HA 1.0 1.8 5.10 295 219 A 19 LEU H A 60 PHE HBx 1.0 1.8 5.67 296 220 A 19 LEU H A 61 ILE H 1.0 1.8 5.67 297 221 A 20 SER H A 19 LEU HBx 1.0 1.8 4.24 298 221 A 20 SER H A 19 LEU HBy 1.0 1.8 4.24 299 222 A 21 GLU H A 19 LEU HBx 1.0 1.8 5.58 300 222 A 21 GLU H A 19 LEU HBy 1.0 1.8 5.58 301 223 A 19 LEU HD21 A 20 SER H 1.0 1.8 4.77 302 224 A 19 LEU HD21 A 21 GLU H 1.0 1.8 4.62 303 225 A 19 LEU HD21 A 21 GLU HBx 1.0 1.8 4.29 304 225 A 19 LEU HD21 A 21 GLU HBy 1.0 1.8 4.29 305 226 A 19 LEU HD21 A 60 PHE HA 1.0 1.8 6.00 306 227 A 19 LEU HD21 A 61 ILE H 1.0 1.8 5.73 307 228 A 20 SER H A 21 GLU H 1.0 1.8 4.34 308 229 A 20 SER H A 21 GLU HGx 1.0 1.8 4.92 309 229 A 20 SER H A 21 GLU HGy 1.0 1.8 4.92 310 230 A 20 SER H A 59 ASP HBy 1.0 1.8 5.72 311 230 A 20 SER H A 59 ASP HBx 1.0 1.8 5.72 312 231 A 21 GLU H A 21 GLU HBx 1.0 1.8 4.00 313 231 A 21 GLU H A 21 GLU HBy 1.0 1.8 4.00 314 232 A 21 GLU H A 21 GLU HGx 1.0 1.8 4.08 315 232 A 21 GLU H A 21 GLU HGy 1.0 1.8 4.08 316 233 A 21 GLU H A 59 ASP H 1.0 1.8 5.25 317 234 A 21 GLU H A 59 ASP HBy 1.0 1.8 5.06 318 234 A 21 GLU H A 59 ASP HBx 1.0 1.8 5.06 319 235 A 60 PHE HA A 21 GLU HBx 1.0 1.8 5.84 320 235 A 60 PHE HA A 21 GLU HBy 1.0 1.8 5.84 321 236 A 23 ARG HA A 26 ASN HA 1.0 1.8 5.91 322 237 A 23 ARG H A 24 GLN H 1.0 1.8 4.68 323 238 A 23 ARG H A 25 ASP H 1.0 1.8 5.26 324 239 A 26 ASN H A 23 ARG HBx 1.0 1.8 5.81 325 239 A 23 ARG HBy A 26 ASN H 1.0 1.8 5.81 326 240 A 24 GLN H A 23 ARG HDx 1.0 1.8 5.94 327 240 A 24 GLN H A 23 ARG HDy 1.0 1.8 5.94 328 241 A 26 ASN H A 23 ARG HDx 1.0 1.8 5.53 329 241 A 26 ASN H A 23 ARG HDy 1.0 1.8 5.53 330 242 A 26 ASN H A 24 GLN HA 1.0 1.8 6.00 331 243 A 24 GLN H A 24 GLN HGx 1.0 1.8 4.96 332 243 A 24 GLN H A 24 GLN HGy 1.0 1.8 4.96 333 244 A 24 GLN H A 25 ASP H 1.0 1.8 4.58 334 245 A 24 GLN H A 26 ASN H 1.0 1.8 6.00 335 246 A 25 ASP H A 24 GLN HGx 1.0 1.8 4.82 336 246 A 25 ASP H A 24 GLN HGy 1.0 1.8 4.82 337 247 A 25 ASP HA A 26 ASN HD2x 1.0 1.8 5.43 338 248 A 25 ASP HA A 26 ASN HD2y 1.0 1.8 5.43 339 249 A 26 ASN HA A 25 ASP H 1.0 1.8 4.82 340 250 A 25 ASP H A 26 ASN H 1.0 1.8 4.60 341 251 A 25 ASP H A 27 SER HBx 1.0 1.8 6.00 342 251 A 25 ASP H A 27 SER HBy 1.0 1.8 6.00 343 252 A 26 ASN HA A 26 ASN HD2x 1.0 1.8 4.06 344 252 A 26 ASN HA A 26 ASN HD2y 1.0 1.8 4.06 345 253 A 26 ASN HA A 27 SER HBx 1.0 1.8 5.87 346 253 A 26 ASN HA A 27 SER HBy 1.0 1.8 5.87 347 254 A 26 ASN HA A 28 PHE H 1.0 1.8 6.00 348 255 A 26 ASN HA A 56 TYR HE% 1.0 1.8 5.08 349 256 A 26 ASN HA A 57 VAL HA 1.0 1.8 5.88 350 257 A 26 ASN HA A 57 VAL H 1.0 1.8 6.00 351 258 A 26 ASN HA A 58 LEU H 1.0 1.8 5.06 352 259 A 26 ASN H A 27 SER H 1.0 1.8 4.49 353 260 A 58 LEU H A 26 ASN HBy 1.0 1.8 5.09 354 260 A 58 LEU H A 26 ASN HBx 1.0 1.8 5.09 355 261 A 27 SER H A 27 SER HBx 1.0 1.8 4.08 356 261 A 27 SER HBy A 27 SER H 1.0 1.8 4.08 357 262 A 27 SER H A 28 PHE HA 1.0 1.8 5.19 358 263 A 58 LEU H A 27 SER H 1.0 1.8 5.11 359 264 A 28 PHE H A 27 SER HBx 1.0 1.8 4.12 360 264 A 27 SER HBy A 28 PHE H 1.0 1.8 4.12 361 265 A 28 PHE HA A 28 PHE HD% 1.0 1.8 5.72 362 266 A 56 TYR HE% A 28 PHE HA 1.0 1.8 6.00 363 267 A 57 VAL HA A 28 PHE HA 1.0 1.8 5.84 364 268 A 28 PHE HA A 57 VAL HB 1.0 1.8 5.30 365 269 A 28 PHE HA A 57 VAL HG1% 1.0 1.8 6.00 366 270 A 28 PHE HA A 57 VAL HG2% 1.0 1.8 5.09 367 271 A 28 PHE H A 28 PHE HD% 1.0 1.8 4.94 368 272 A 28 PHE H A 57 VAL HA 1.0 1.8 5.66 369 273 A 28 PHE H A 57 VAL HB 1.0 1.8 5.43 370 274 A 28 PHE H A 57 VAL HG1% 1.0 1.8 5.72 371 275 A 28 PHE H A 57 VAL HG2% 1.0 1.8 5.22 372 276 A 29 THR H A 28 PHE HBx 1.0 1.8 4.41 373 276 A 28 PHE HBy A 29 THR H 1.0 1.8 4.41 374 277 A 28 PHE HD% A 29 THR HA 1.0 1.8 5.78 375 278 A 28 PHE HD% A 30 THR H 1.0 1.8 6.00 376 279 A 28 PHE HD% A 57 VAL HB 1.0 1.8 5.48 377 280 A 28 PHE HD% A 57 VAL HG1% 1.0 1.8 5.51 378 281 A 28 PHE HD% A 57 VAL HG2% 1.0 1.8 4.67 379 282 A 29 THR HA A 29 THR HG2% 1.0 1.8 4.25 380 283 A 29 THR HA A 56 TYR H 1.0 1.8 6.00 381 284 A 30 THR H A 29 THR HB 1.0 1.8 5.16 382 285 A 29 THR HB A 31 TYR HE% 1.0 1.8 5.54 383 286 A 56 TYR H A 29 THR HB 1.0 1.8 6.00 384 287 A 29 THR HB A 56 TYR HBx 1.0 1.8 5.81 385 287 A 29 THR HB A 56 TYR HBy 1.0 1.8 5.81 386 288 A 29 THR H A 29 THR HG2% 1.0 1.8 4.64 387 289 A 29 THR H A 30 THR HB 1.0 1.8 5.39 388 290 A 29 THR H A 30 THR H 1.0 1.8 5.20 389 291 A 29 THR H A 55 PHE HA 1.0 1.8 5.22 390 292 A 29 THR H A 56 TYR H 1.0 1.8 4.88 391 293 A 57 VAL HB A 29 THR H 1.0 1.8 5.21 392 294 A 57 VAL HG1% A 29 THR H 1.0 1.8 5.69 393 295 A 57 VAL HG2% A 29 THR H 1.0 1.8 5.39 394 296 A 29 THR HG2% A 30 THR HA 1.0 1.8 5.87 395 297 A 29 THR HG2% A 30 THR HB 1.0 1.8 6.00 396 298 A 30 THR H A 29 THR HG2% 1.0 1.8 3.97 397 299 A 29 THR HG2% A 31 TYR HD% 1.0 1.8 4.79 398 300 A 29 THR HG2% A 31 TYR HE% 1.0 1.8 4.34 399 301 A 30 THR HA A 31 TYR HD% 1.0 1.8 5.88 400 302 A 55 PHE HA A 30 THR HA 1.0 1.8 4.89 401 303 A 30 THR HA A 55 PHE HD% 1.0 1.8 5.54 402 304 A 56 TYR H A 30 THR HA 1.0 1.8 4.99 403 305 A 30 THR HB A 31 TYR H 1.0 1.8 5.08 404 306 A 30 THR H A 30 THR HG2% 1.0 1.8 4.47 405 307 A 30 THR H A 31 TYR H 1.0 1.8 5.45 406 308 A 30 THR H A 31 TYR HD% 1.0 1.8 6.00 407 309 A 30 THR H A 55 PHE HA 1.0 1.8 5.60 408 310 A 30 THR H A 55 PHE HD% 1.0 1.8 6.00 409 311 A 30 THR H A 56 TYR H 1.0 1.8 5.53 410 312 A 31 TYR H A 30 THR HG2% 1.0 1.8 4.22 411 313 A 31 TYR HD% A 30 THR HG2% 1.0 1.8 5.55 412 314 A 30 THR HG2% A 54 ILE H 1.0 1.8 5.20 413 315 A 55 PHE HA A 30 THR HG2% 1.0 1.8 5.61 414 316 A 30 THR HG2% A 55 PHE H 1.0 1.8 6.00 415 317 A 55 PHE HD% A 30 THR HG2% 1.0 1.8 5.10 416 318 A 56 TYR H A 30 THR HG2% 1.0 1.8 5.68 417 319 A 31 TYR HA A 32 THR HG2% 1.0 1.8 5.48 418 320 A 31 TYR HD% A 31 TYR H 1.0 1.8 4.82 419 321 A 31 TYR HE% A 31 TYR H 1.0 1.8 6.00 420 322 A 31 TYR H A 32 THR H 1.0 1.8 5.77 421 323 A 31 TYR H A 54 ILE HB 1.0 1.8 5.17 422 324 A 31 TYR H A 54 ILE H 1.0 1.8 4.82 423 325 A 31 TYR H A 54 ILE HG2% 1.0 1.8 4.63 424 326 A 55 PHE HA A 31 TYR H 1.0 1.8 4.95 425 327 A 32 THR H A 31 TYR HBx 1.0 1.8 5.42 426 327 A 32 THR H A 31 TYR HBy 1.0 1.8 5.42 427 328 A 33 ALA H A 31 TYR HBx 1.0 1.8 5.66 428 328 A 31 TYR HBy A 33 ALA H 1.0 1.8 5.66 429 329 A 31 TYR HD% A 42 ILE HA 1.0 1.8 5.53 430 330 A 31 TYR HD% A 42 ILE HD1% 1.0 1.8 4.95 431 331 A 31 TYR HD% A 42 ILE HG2% 1.0 1.8 4.27 432 332 A 31 TYR HD% A 54 ILE HB 1.0 1.8 4.80 433 333 A 31 TYR HD% A 54 ILE H 1.0 1.8 5.79 434 334 A 31 TYR HD% A 54 ILE HG2% 1.0 1.8 4.40 435 335 A 31 TYR HE% A 32 THR H 1.0 1.8 6.00 436 336 A 31 TYR HE% A 42 ILE HB 1.0 1.8 6.00 437 337 A 31 TYR HE% A 42 ILE HD1% 1.0 1.8 4.34 438 338 A 31 TYR HE% A 54 ILE HB 1.0 1.8 5.44 439 339 A 31 TYR HE% A 54 ILE HG2% 1.0 1.8 4.20 440 340 A 31 TYR HE% A 55 PHE H 1.0 1.8 6.00 441 341 A 56 TYR H A 31 TYR HE% 1.0 1.8 5.38 442 342 A 31 TYR HE% A 56 TYR HBx 1.0 1.8 4.62 443 343 A 31 TYR HE% A 56 TYR HBy 1.0 1.8 4.62 444 344 A 32 THR HG2% A 32 THR HA 1.0 1.8 4.20 445 345 A 54 ILE H A 32 THR HA 1.0 1.8 5.11 446 346 A 54 ILE H A 32 THR HB 1.0 1.8 6.00 447 347 A 32 THR HG2% A 32 THR H 1.0 1.8 4.60 448 348 A 32 THR H A 33 ALA H 1.0 1.8 4.10 449 349 A 32 THR H A 53 SER HBx 1.0 1.8 6.00 450 349 A 32 THR H A 53 SER HBy 1.0 1.8 6.00 451 350 A 32 THR HG2% A 53 SER HA 1.0 1.8 5.10 452 351 A 33 ALA HA A 34 ALA HB% 1.0 1.8 5.14 453 352 A 33 ALA HA A 35 GLN H 1.0 1.8 5.89 454 353 A 33 ALA HA A 35 GLN HE2y 1.0 1.8 5.70 455 353 A 33 ALA HA A 35 GLN HE2x 1.0 1.8 5.70 456 354 A 33 ALA HA A 46 PHE H 1.0 1.8 5.49 457 355 A 33 ALA H A 33 ALA HB% 1.0 1.8 3.91 458 356 A 33 ALA H A 34 ALA HA 1.0 1.8 5.51 459 357 A 33 ALA H A 34 ALA H 1.0 1.8 4.79 460 358 A 33 ALA H A 35 GLN HGx 1.0 1.8 6.00 461 358 A 33 ALA H A 35 GLN HGy 1.0 1.8 6.00 462 359 A 33 ALA H A 42 ILE HG2% 1.0 1.8 5.34 463 360 A 33 ALA H A 46 PHE HBx 1.0 1.8 5.81 464 360 A 33 ALA H A 46 PHE HBy 1.0 1.8 5.81 465 361 A 33 ALA H A 46 PHE HD% 1.0 1.8 5.27 466 362 A 33 ALA HB% A 34 ALA H 1.0 1.8 3.54 467 363 A 33 ALA HB% A 35 GLN HBy 1.0 1.8 5.81 468 363 A 33 ALA HB% A 35 GLN HBx 1.0 1.8 5.81 469 364 A 33 ALA HB% A 35 GLN HGx 1.0 1.8 4.61 470 364 A 33 ALA HB% A 35 GLN HGy 1.0 1.8 4.61 471 365 A 33 ALA HB% A 35 GLN HE2y 1.0 1.8 4.86 472 365 A 35 GLN HE2x A 33 ALA HB% 1.0 1.8 4.86 473 366 A 33 ALA HB% A 43 ASN HBx 1.0 1.8 6.00 474 366 A 33 ALA HB% A 43 ASN HBy 1.0 1.8 6.00 475 367 A 34 ALA HA A 35 GLN HBy 1.0 1.8 5.78 476 367 A 34 ALA HA A 35 GLN HBx 1.0 1.8 5.78 477 368 A 42 ILE HG2% A 34 ALA HA 1.0 1.8 5.90 478 369 A 34 ALA HA A 43 ASN HA 1.0 1.8 5.27 479 370 A 34 ALA HA A 43 ASN HD2x 1.0 1.8 5.73 480 371 A 34 ALA HA A 43 ASN HD2y 1.0 1.8 5.73 481 372 A 46 PHE H A 34 ALA HA 1.0 1.8 6.00 482 373 A 34 ALA HA A 46 PHE HD% 1.0 1.8 5.52 483 374 A 34 ALA HB% A 34 ALA H 1.0 1.8 3.33 484 375 A 34 ALA H A 35 GLN HA 1.0 1.8 5.72 485 376 A 35 GLN H A 34 ALA H 1.0 1.8 5.09 486 377 A 34 ALA H A 35 GLN HBy 1.0 1.8 5.81 487 377 A 34 ALA H A 35 GLN HBx 1.0 1.8 5.81 488 378 A 34 ALA H A 35 GLN HGx 1.0 1.8 5.29 489 378 A 34 ALA H A 35 GLN HGy 1.0 1.8 5.29 490 379 A 46 PHE H A 34 ALA H 1.0 1.8 4.95 491 380 A 34 ALA H A 46 PHE HBx 1.0 1.8 4.81 492 381 A 34 ALA H A 46 PHE HBy 1.0 1.8 4.81 493 382 A 34 ALA H A 46 PHE HD% 1.0 1.8 5.73 494 383 A 34 ALA HB% A 35 GLN HA 1.0 1.8 5.76 495 384 A 34 ALA HB% A 35 GLN H 1.0 1.8 4.21 496 385 A 34 ALA HB% A 35 GLN HGx 1.0 1.8 5.83 497 385 A 34 ALA HB% A 35 GLN HGy 1.0 1.8 5.83 498 386 A 34 ALA HB% A 36 GLU H 1.0 1.8 6.00 499 387 A 34 ALA HB% A 43 ASN HA 1.0 1.8 4.51 500 388 A 34 ALA HB% A 43 ASN H 1.0 1.8 4.92 501 389 A 34 ALA HB% A 43 ASN HBx 1.0 1.8 5.49 502 389 A 34 ALA HB% A 43 ASN HBy 1.0 1.8 5.49 503 390 A 34 ALA HB% A 43 ASN HD2x 1.0 1.8 4.95 504 390 A 34 ALA HB% A 43 ASN HD2y 1.0 1.8 4.95 505 391 A 34 ALA HB% A 46 PHE HA 1.0 1.8 6.00 506 392 A 34 ALA HB% A 46 PHE H 1.0 1.8 4.59 507 393 A 34 ALA HB% A 46 PHE HBx 1.0 1.8 4.18 508 393 A 34 ALA HB% A 46 PHE HBy 1.0 1.8 4.18 509 394 A 34 ALA HB% A 46 PHE HBx 1.0 1.8 4.84 510 395 A 34 ALA HB% A 46 PHE HBy 1.0 1.8 4.84 511 396 A 34 ALA HB% A 46 PHE HD% 1.0 1.8 4.89 512 397 A 35 GLN HA A 35 GLN HE2y 1.0 1.8 4.97 513 397 A 35 GLN HE2x A 35 GLN HA 1.0 1.8 4.97 514 398 A 43 ASN HD2x A 35 GLN HA 1.0 1.8 5.81 515 398 A 43 ASN HD2y A 35 GLN HA 1.0 1.8 5.81 516 399 A 35 GLN H A 35 GLN HGx 1.0 1.8 4.63 517 399 A 35 GLN H A 35 GLN HGy 1.0 1.8 4.63 518 400 A 35 GLN H A 36 GLU H 1.0 1.8 5.30 519 401 A 35 GLN H A 38 GLN H 1.0 1.8 4.91 520 402 A 42 ILE HG2% A 35 GLN H 1.0 1.8 6.00 521 403 A 35 GLN H A 43 ASN HA 1.0 1.8 5.65 522 404 A 35 GLN H A 43 ASN HBx 1.0 1.8 5.07 523 404 A 35 GLN H A 43 ASN HBy 1.0 1.8 5.07 524 405 A 35 GLN H A 43 ASN HD2x 1.0 1.8 4.64 525 405 A 35 GLN H A 43 ASN HD2y 1.0 1.8 4.64 526 406 A 35 GLN HBy A 35 GLN HE2y 1.0 1.8 4.64 527 406 A 35 GLN HBx A 35 GLN HE2y 1.0 1.8 4.64 528 406 A 35 GLN HE2x A 35 GLN HBy 1.0 1.8 4.64 529 406 A 35 GLN HE2x A 35 GLN HBx 1.0 1.8 4.64 530 407 A 36 GLU HA A 37 GLY HAy 1.0 1.8 5.76 531 407 A 36 GLU HA A 37 GLY HAx 1.0 1.8 5.76 532 408 A 38 GLN H A 36 GLU HA 1.0 1.8 4.45 533 409 A 43 ASN HD2x A 36 GLU HA 1.0 1.8 6.00 534 410 A 43 ASN HD2y A 36 GLU HA 1.0 1.8 6.00 535 411 A 36 GLU H A 36 GLU HBx 1.0 1.8 3.73 536 411 A 36 GLU H A 36 GLU HBy 1.0 1.8 3.73 537 412 A 36 GLU H A 36 GLU HGx 1.0 1.8 4.36 538 412 A 36 GLU H A 36 GLU HGy 1.0 1.8 4.36 539 413 A 36 GLU H A 37 GLY H 1.0 1.8 5.98 540 414 A 36 GLU H A 38 GLN H 1.0 1.8 5.78 541 415 A 37 GLY H A 36 GLU HBx 1.0 1.8 5.03 542 415 A 36 GLU HBy A 37 GLY H 1.0 1.8 5.03 543 416 A 37 GLY H A 36 GLU HGx 1.0 1.8 5.41 544 416 A 36 GLU HGy A 37 GLY H 1.0 1.8 5.41 545 417 A 36 GLU HGy A 37 GLY HAy 1.0 1.8 5.09 546 417 A 37 GLY HAx A 36 GLU HGx 1.0 1.8 5.09 547 417 A 37 GLY HAx A 36 GLU HGy 1.0 1.8 5.09 548 417 A 36 GLU HGx A 37 GLY HAy 1.0 1.8 5.09 549 418 A 38 GLN H A 37 GLY H 1.0 1.8 4.50 550 419 A 43 ASN HD2x A 37 GLY H 1.0 1.8 6.00 551 420 A 43 ASN HD2y A 37 GLY H 1.0 1.8 6.00 552 421 A 43 ASN HD2x A 38 GLN H 1.0 1.8 5.71 553 421 A 43 ASN HD2y A 38 GLN H 1.0 1.8 5.71 554 422 A 42 ILE HB A 38 GLN HBy 1.0 1.8 4.72 555 422 A 42 ILE HB A 38 GLN HBx 1.0 1.8 4.72 556 423 A 42 ILE H A 38 GLN HBy 1.0 1.8 5.81 557 423 A 38 GLN HBx A 42 ILE H 1.0 1.8 5.81 558 424 A 43 ASN HD2x A 38 GLN HBx 1.0 1.8 5.09 559 424 A 43 ASN HD2y A 38 GLN HBy 1.0 1.8 5.09 560 424 A 43 ASN HD2y A 38 GLN HBx 1.0 1.8 5.09 561 424 A 43 ASN HD2x A 38 GLN HBy 1.0 1.8 5.09 562 425 A 39 PRO HA A 40 GLU HBx 1.0 1.8 4.88 563 425 A 39 PRO HA A 40 GLU HBy 1.0 1.8 4.88 564 426 A 39 PRO HA A 41 PHE H 1.0 1.8 5.22 565 427 A 39 PRO HA A 41 PHE HD% 1.0 1.8 6.00 566 428 A 42 ILE H A 39 PRO HA 1.0 1.8 5.67 567 429 A 39 PRO HA A 81 THR HG2% 1.0 1.8 5.69 568 430 A 43 ASN H A 40 GLU HA 1.0 1.8 5.08 569 431 A 40 GLU HA A 43 ASN HBx 1.0 1.8 4.80 570 431 A 43 ASN HBy A 40 GLU HA 1.0 1.8 4.80 571 432 A 43 ASN HD2x A 40 GLU HA 1.0 1.8 5.12 572 432 A 43 ASN HD2y A 40 GLU HA 1.0 1.8 5.12 573 433 A 40 GLU H A 40 GLU HBx 1.0 1.8 4.18 574 433 A 40 GLU HBy A 40 GLU H 1.0 1.8 4.18 575 434 A 40 GLU H A 41 PHE HA 1.0 1.8 6.00 576 435 A 41 PHE H A 40 GLU H 1.0 1.8 4.95 577 436 A 42 ILE H A 40 GLU H 1.0 1.8 5.87 578 437 A 40 GLU H A 43 ASN HBx 1.0 1.8 5.60 579 437 A 43 ASN HBy A 40 GLU H 1.0 1.8 5.60 580 438 A 81 THR HG2% A 40 GLU H 1.0 1.8 5.32 581 439 A 41 PHE H A 40 GLU HBx 1.0 1.8 4.40 582 439 A 40 GLU HBy A 41 PHE H 1.0 1.8 4.40 583 440 A 42 ILE H A 40 GLU HBx 1.0 1.8 6.00 584 440 A 42 ILE H A 40 GLU HBy 1.0 1.8 6.00 585 441 A 43 ASN HD2x A 40 GLU HBx 1.0 1.8 5.36 586 441 A 43 ASN HD2y A 40 GLU HBx 1.0 1.8 5.36 587 441 A 43 ASN HD2x A 40 GLU HBy 1.0 1.8 5.36 588 441 A 43 ASN HD2y A 40 GLU HBy 1.0 1.8 5.36 589 442 A 81 THR H A 40 GLU HBx 1.0 1.8 5.15 590 442 A 40 GLU HBy A 81 THR H 1.0 1.8 5.15 591 443 A 41 PHE H A 40 GLU HGx 1.0 1.8 4.80 592 443 A 41 PHE H A 40 GLU HGy 1.0 1.8 4.80 593 444 A 41 PHE HD% A 41 PHE HA 1.0 1.8 4.90 594 445 A 43 ASN H A 41 PHE HA 1.0 1.8 5.05 595 446 A 41 PHE HA A 44 ARG HGy 1.0 1.8 5.34 596 446 A 41 PHE HA A 44 ARG HGx 1.0 1.8 5.34 597 447 A 41 PHE H A 41 PHE HD% 1.0 1.8 4.91 598 448 A 42 ILE H A 41 PHE H 1.0 1.8 4.72 599 449 A 41 PHE H A 42 ILE HG12 1.0 1.8 5.29 600 449 A 41 PHE H A 42 ILE HG13 1.0 1.8 5.29 601 450 A 41 PHE H A 44 ARG HGy 1.0 1.8 5.68 602 450 A 41 PHE H A 44 ARG HGx 1.0 1.8 5.68 603 451 A 41 PHE H A 81 THR HG2% 1.0 1.8 4.93 604 452 A 41 PHE HD% A 44 ARG HGy 1.0 1.8 5.81 605 452 A 41 PHE HD% A 44 ARG HGx 1.0 1.8 5.81 606 453 A 42 ILE HA A 42 ILE HD1% 1.0 1.8 4.99 607 454 A 42 ILE HA A 45 LEU HG 1.0 1.8 5.09 608 455 A 42 ILE HA A 45 LEU H 1.0 1.8 5.75 609 456 A 42 ILE HA A 45 LEU HD1% 1.0 1.8 4.71 610 456 A 42 ILE HA A 45 LEU HD21 1.0 1.8 4.71 611 457 A 42 ILE HA A 46 PHE H 1.0 1.8 5.28 612 458 A 54 ILE HG2% A 42 ILE HA 1.0 1.8 5.38 613 459 A 42 ILE HB A 43 ASN H 1.0 1.8 4.06 614 460 A 42 ILE HB A 43 ASN HD2x 1.0 1.8 6.00 615 461 A 42 ILE HB A 43 ASN HD2y 1.0 1.8 6.00 616 462 A 42 ILE H A 42 ILE HG12 1.0 1.8 4.55 617 462 A 42 ILE H A 42 ILE HG13 1.0 1.8 4.55 618 463 A 42 ILE HG2% A 42 ILE H 1.0 1.8 4.74 619 464 A 43 ASN H A 42 ILE H 1.0 1.8 4.22 620 465 A 42 ILE H A 43 ASN HBx 1.0 1.8 5.18 621 465 A 43 ASN HBy A 42 ILE H 1.0 1.8 5.18 622 466 A 42 ILE H A 44 ARG H 1.0 1.8 5.15 623 467 A 42 ILE H A 81 THR HG2% 1.0 1.8 4.98 624 468 A 42 ILE HD1% A 45 LEU HG 1.0 1.8 6.00 625 469 A 54 ILE HG2% A 42 ILE HD1% 1.0 1.8 4.58 626 470 A 56 TYR H A 42 ILE HD1% 1.0 1.8 6.00 627 471 A 42 ILE HD1% A 56 TYR HD% 1.0 1.8 5.74 628 472 A 43 ASN HA A 42 ILE HG12 1.0 1.8 5.57 629 472 A 43 ASN HA A 42 ILE HG13 1.0 1.8 5.57 630 473 A 43 ASN H A 42 ILE HG12 1.0 1.8 4.30 631 473 A 43 ASN H A 42 ILE HG13 1.0 1.8 4.30 632 474 A 44 ARG H A 42 ILE HG12 1.0 1.8 6.00 633 474 A 42 ILE HG13 A 44 ARG H 1.0 1.8 6.00 634 475 A 42 ILE HG2% A 44 ARG H 1.0 1.8 6.00 635 476 A 42 ILE HG2% A 45 LEU HG 1.0 1.8 5.87 636 477 A 42 ILE HG2% A 45 LEU H 1.0 1.8 5.43 637 478 A 42 ILE HG2% A 46 PHE HD% 1.0 1.8 5.71 638 479 A 42 ILE HG2% A 51 VAL HG1% 1.0 1.8 4.83 639 479 A 42 ILE HG2% A 51 VAL HG2% 1.0 1.8 4.83 640 480 A 54 ILE H A 42 ILE HG2% 1.0 1.8 5.47 641 481 A 42 ILE HG2% A 54 ILE HG1y 1.0 1.8 5.04 642 481 A 42 ILE HG2% A 54 ILE HG1x 1.0 1.8 5.04 643 482 A 54 ILE HG2% A 42 ILE HG2% 1.0 1.8 4.37 644 483 A 43 ASN HA A 43 ASN HD2x 1.0 1.8 6.00 645 484 A 43 ASN HA A 43 ASN HD2y 1.0 1.8 6.00 646 485 A 43 ASN HA A 44 ARG HBx 1.0 1.8 6.00 647 485 A 43 ASN HA A 44 ARG HBy 1.0 1.8 6.00 648 486 A 46 PHE H A 43 ASN HA 1.0 1.8 4.58 649 487 A 43 ASN HA A 46 PHE HBx 1.0 1.8 5.71 650 487 A 46 PHE HBy A 43 ASN HA 1.0 1.8 5.71 651 488 A 46 PHE HD% A 43 ASN HA 1.0 1.8 5.38 652 489 A 43 ASN H A 43 ASN HBx 1.0 1.8 3.90 653 489 A 43 ASN HBy A 43 ASN H 1.0 1.8 3.90 654 490 A 43 ASN HD2x A 43 ASN H 1.0 1.8 3.97 655 490 A 43 ASN HD2y A 43 ASN H 1.0 1.8 3.97 656 491 A 43 ASN HD2x A 43 ASN H 1.0 1.8 4.53 657 492 A 43 ASN HD2y A 43 ASN H 1.0 1.8 4.53 658 493 A 43 ASN H A 44 ARG H 1.0 1.8 4.40 659 494 A 43 ASN H A 81 THR HG2% 1.0 1.8 5.53 660 495 A 44 ARG H A 43 ASN HBx 1.0 1.8 4.32 661 495 A 43 ASN HBy A 44 ARG H 1.0 1.8 4.32 662 496 A 44 ARG HA A 44 ARG HDx 1.0 1.8 4.92 663 496 A 44 ARG HA A 44 ARG HDy 1.0 1.8 4.92 664 497 A 44 ARG HA A 47 GLU H 1.0 1.8 5.57 665 498 A 44 ARG HA A 47 GLU HBy 1.0 1.8 5.08 666 498 A 44 ARG HA A 47 GLU HBx 1.0 1.8 5.08 667 499 A 44 ARG HA A 47 GLU HGx 1.0 1.8 4.96 668 499 A 44 ARG HA A 47 GLU HGy 1.0 1.8 4.96 669 500 A 78 ILE HG2% A 44 ARG HA 1.0 1.8 5.05 670 501 A 44 ARG H A 44 ARG HBx 1.0 1.8 3.65 671 501 A 44 ARG H A 44 ARG HBy 1.0 1.8 3.65 672 502 A 44 ARG H A 44 ARG HGy 1.0 1.8 4.73 673 502 A 44 ARG HGx A 44 ARG H 1.0 1.8 4.73 674 503 A 45 LEU H A 44 ARG H 1.0 1.8 4.46 675 504 A 46 PHE H A 44 ARG H 1.0 1.8 5.33 676 505 A 44 ARG H A 47 GLU H 1.0 1.8 5.49 677 506 A 78 ILE HG2% A 44 ARG H 1.0 1.8 4.71 678 507 A 81 THR HG2% A 44 ARG H 1.0 1.8 4.91 679 508 A 45 LEU H A 44 ARG HBx 1.0 1.8 4.40 680 508 A 45 LEU H A 44 ARG HBy 1.0 1.8 4.40 681 509 A 81 THR HA A 44 ARG HBx 1.0 1.8 6.00 682 509 A 44 ARG HBy A 81 THR HA 1.0 1.8 6.00 683 510 A 81 THR HB A 44 ARG HBx 1.0 1.8 6.00 684 510 A 44 ARG HBy A 81 THR HB 1.0 1.8 6.00 685 511 A 81 THR HG2% A 44 ARG HBx 1.0 1.8 4.89 686 511 A 81 THR HG2% A 44 ARG HBy 1.0 1.8 4.89 687 512 A 45 LEU H A 44 ARG HDx 1.0 1.8 4.99 688 512 A 45 LEU H A 44 ARG HDy 1.0 1.8 4.99 689 513 A 81 THR HG2% A 44 ARG HDx 1.0 1.8 4.80 690 513 A 81 THR HG2% A 44 ARG HDy 1.0 1.8 4.80 691 514 A 81 THR HA A 44 ARG HGy 1.0 1.8 5.81 692 514 A 44 ARG HGx A 81 THR HA 1.0 1.8 5.81 693 515 A 81 THR HB A 44 ARG HGy 1.0 1.8 5.81 694 515 A 44 ARG HGx A 81 THR HB 1.0 1.8 5.81 695 516 A 81 THR HG2% A 44 ARG HGy 1.0 1.8 5.26 696 516 A 81 THR HG2% A 44 ARG HGx 1.0 1.8 5.26 697 517 A 45 LEU HA A 45 LEU HD1% 1.0 1.8 4.02 698 517 A 45 LEU HD21 A 45 LEU HA 1.0 1.8 4.02 699 518 A 47 GLU H A 45 LEU HA 1.0 1.8 4.63 700 519 A 45 LEU HA A 47 GLU HBy 1.0 1.8 5.66 701 519 A 47 GLU HBx A 45 LEU HA 1.0 1.8 5.66 702 520 A 45 LEU HG A 74 LEU HG 1.0 1.8 3.71 703 521 A 45 LEU HG A 45 LEU H 1.0 1.8 4.71 704 522 A 45 LEU H A 45 LEU HD1% 1.0 1.8 3.82 705 522 A 45 LEU H A 45 LEU HD21 1.0 1.8 3.82 706 523 A 46 PHE HA A 45 LEU H 1.0 1.8 5.28 707 524 A 46 PHE H A 45 LEU H 1.0 1.8 4.42 708 525 A 45 LEU H A 46 PHE HBx 1.0 1.8 4.92 709 525 A 46 PHE HBy A 45 LEU H 1.0 1.8 4.92 710 526 A 45 LEU H A 46 PHE HBx 1.0 1.8 5.58 711 527 A 46 PHE HBy A 45 LEU H 1.0 1.8 5.58 712 528 A 45 LEU H A 51 VAL HG1% 1.0 1.8 5.43 713 528 A 45 LEU H A 51 VAL HG2% 1.0 1.8 5.43 714 529 A 46 PHE H A 45 LEU HBx 1.0 1.8 4.62 715 529 A 46 PHE H A 45 LEU HBy 1.0 1.8 4.62 716 530 A 45 LEU HBx A 51 VAL HG1% 1.0 1.8 4.98 717 530 A 45 LEU HBy A 51 VAL HG1% 1.0 1.8 4.98 718 530 A 51 VAL HG2% A 45 LEU HBx 1.0 1.8 4.98 719 530 A 51 VAL HG2% A 45 LEU HBy 1.0 1.8 4.98 720 531 A 46 PHE H A 45 LEU HD1% 1.0 1.8 4.40 721 531 A 46 PHE H A 45 LEU HD21 1.0 1.8 4.40 722 532 A 45 LEU HD1% A 46 PHE HBx 1.0 1.8 5.43 723 532 A 45 LEU HD21 A 46 PHE HBx 1.0 1.8 5.43 724 532 A 46 PHE HBy A 45 LEU HD1% 1.0 1.8 5.43 725 532 A 46 PHE HBy A 45 LEU HD21 1.0 1.8 5.43 726 533 A 46 PHE HD% A 46 PHE HA 1.0 1.8 4.83 727 534 A 46 PHE HA A 51 VAL H 1.0 1.8 4.82 728 535 A 46 PHE HA A 51 VAL HG1% 1.0 1.8 4.58 729 535 A 46 PHE HA A 51 VAL HG2% 1.0 1.8 4.58 730 536 A 46 PHE HA A 51 VAL HG1% 1.0 1.8 5.45 731 537 A 46 PHE HA A 51 VAL HG2% 1.0 1.8 5.45 732 538 A 46 PHE H A 47 GLU H 1.0 1.8 4.36 733 539 A 46 PHE H A 48 ILE H 1.0 1.8 4.56 734 540 A 46 PHE H A 51 VAL HG1% 1.0 1.8 4.22 735 540 A 46 PHE H A 51 VAL HG2% 1.0 1.8 4.22 736 541 A 46 PHE H A 51 VAL HG1% 1.0 1.8 5.12 737 542 A 46 PHE H A 51 VAL HG2% 1.0 1.8 5.12 738 543 A 48 ILE H A 46 PHE HBx 1.0 1.8 5.28 739 543 A 46 PHE HBy A 48 ILE H 1.0 1.8 5.28 740 544 A 46 PHE HBx A 51 VAL HG1% 1.0 1.8 5.61 741 544 A 46 PHE HBy A 51 VAL HG1% 1.0 1.8 5.61 742 544 A 51 VAL HG2% A 46 PHE HBx 1.0 1.8 5.61 743 544 A 46 PHE HBy A 51 VAL HG2% 1.0 1.8 5.61 744 545 A 46 PHE HD% A 47 GLU H 1.0 1.8 5.65 745 546 A 46 PHE HD% A 51 VAL HB 1.0 1.8 5.81 746 547 A 46 PHE HD% A 51 VAL HG1% 1.0 1.8 5.05 747 547 A 46 PHE HD% A 51 VAL HG2% 1.0 1.8 5.05 748 548 A 47 GLU H A 47 GLU HBy 1.0 1.8 3.54 749 548 A 47 GLU H A 47 GLU HBx 1.0 1.8 3.54 750 549 A 47 GLU H A 47 GLU HBx 1.0 1.8 4.05 751 550 A 47 GLU H A 47 GLU HBy 1.0 1.8 4.05 752 551 A 47 GLU H A 47 GLU HGx 1.0 1.8 4.23 753 551 A 47 GLU H A 47 GLU HGy 1.0 1.8 4.23 754 552 A 47 GLU H A 51 VAL HG1% 1.0 1.8 5.68 755 552 A 51 VAL HG2% A 47 GLU H 1.0 1.8 5.68 756 553 A 48 ILE H A 47 GLU HGx 1.0 1.8 5.15 757 553 A 47 GLU HGy A 48 ILE H 1.0 1.8 5.15 758 554 A 48 ILE HA A 48 ILE HG2% 1.0 1.8 4.09 759 555 A 48 ILE HB A 48 ILE HD1% 1.0 1.8 4.02 760 556 A 48 ILE H A 48 ILE HB 1.0 1.8 3.90 761 557 A 48 ILE H A 48 ILE HD1% 1.0 1.8 4.21 762 558 A 48 ILE H A 48 ILE HG12 1.0 1.8 4.27 763 558 A 48 ILE H A 48 ILE HG13 1.0 1.8 4.27 764 559 A 48 ILE H A 48 ILE HG2% 1.0 1.8 4.19 765 560 A 48 ILE H A 49 GLU H 1.0 1.8 4.81 766 561 A 48 ILE H A 51 VAL HG1% 1.0 1.8 5.23 767 561 A 51 VAL HG2% A 48 ILE H 1.0 1.8 5.23 768 562 A 48 ILE HD1% A 49 GLU HA 1.0 1.8 5.54 769 563 A 48 ILE HD1% A 49 GLU H 1.0 1.8 4.01 770 564 A 48 ILE HD1% A 50 GLY H 1.0 1.8 5.52 771 565 A 51 VAL H A 48 ILE HD1% 1.0 1.8 3.84 772 566 A 49 GLU H A 48 ILE HG12 1.0 1.8 5.06 773 566 A 48 ILE HG13 A 49 GLU H 1.0 1.8 5.06 774 567 A 48 ILE HG13 A 50 GLY HAx 1.0 1.8 5.50 775 567 A 48 ILE HG12 A 50 GLY HAx 1.0 1.8 5.50 776 567 A 50 GLY HAy A 48 ILE HG12 1.0 1.8 5.50 777 567 A 48 ILE HG13 A 50 GLY HAy 1.0 1.8 5.50 778 568 A 69 ALA HB% A 48 ILE HG12 1.0 1.8 4.66 779 568 A 69 ALA HB% A 48 ILE HG13 1.0 1.8 4.66 780 569 A 74 LEU H A 48 ILE HG12 1.0 1.8 4.98 781 569 A 48 ILE HG13 A 74 LEU H 1.0 1.8 4.98 782 570 A 48 ILE HG2% A 74 LEU HA 1.0 1.8 4.82 783 571 A 49 GLU HA A 50 GLY HAx 1.0 1.8 5.51 784 571 A 49 GLU HA A 50 GLY HAy 1.0 1.8 5.51 785 572 A 51 VAL H A 49 GLU HA 1.0 1.8 4.42 786 573 A 49 GLU H A 49 GLU HBx 1.0 1.8 3.68 787 573 A 49 GLU H A 49 GLU HBy 1.0 1.8 3.68 788 574 A 49 GLU H A 49 GLU HGx 1.0 1.8 4.27 789 574 A 49 GLU H A 49 GLU HGy 1.0 1.8 4.27 790 575 A 49 GLU H A 50 GLY H 1.0 1.8 4.99 791 576 A 50 GLY H A 49 GLU HBx 1.0 1.8 4.42 792 576 A 50 GLY H A 49 GLU HBy 1.0 1.8 4.42 793 577 A 50 GLY H A 49 GLU HGx 1.0 1.8 4.62 794 577 A 50 GLY H A 49 GLU HGy 1.0 1.8 4.62 795 578 A 49 GLU HGx A 50 GLY HAx 1.0 1.8 5.21 796 578 A 49 GLU HGy A 50 GLY HAx 1.0 1.8 5.21 797 578 A 50 GLY HAy A 49 GLU HGx 1.0 1.8 5.21 798 578 A 50 GLY HAy A 49 GLU HGy 1.0 1.8 5.21 799 579 A 49 GLU HGx A 50 GLY HAx 1.0 1.8 5.91 800 579 A 49 GLU HGy A 50 GLY HAx 1.0 1.8 5.91 801 580 A 50 GLY HAy A 49 GLU HGy 1.0 1.8 5.91 802 580 A 50 GLY HAy A 49 GLU HGx 1.0 1.8 5.91 803 581 A 68 ASN H A 49 GLU HGx 1.0 1.8 6.00 804 581 A 49 GLU HGy A 68 ASN H 1.0 1.8 6.00 805 582 A 69 ALA H A 49 GLU HGx 1.0 1.8 5.92 806 582 A 69 ALA H A 49 GLU HGy 1.0 1.8 5.92 807 583 A 69 ALA HB% A 49 GLU HGx 1.0 1.8 5.22 808 583 A 69 ALA HB% A 49 GLU HGy 1.0 1.8 5.22 809 584 A 70 ASN H A 49 GLU HGx 1.0 1.8 5.79 810 584 A 70 ASN H A 49 GLU HGy 1.0 1.8 5.79 811 585 A 51 VAL HB A 50 GLY H 1.0 1.8 5.98 812 586 A 51 VAL H A 50 GLY H 1.0 1.8 4.05 813 587 A 50 GLY H A 51 VAL HG1% 1.0 1.8 5.73 814 587 A 51 VAL HG2% A 50 GLY H 1.0 1.8 5.73 815 588 A 50 GLY H A 65 LYS HA 1.0 1.8 6.00 816 589 A 50 GLY H A 66 GLU H 1.0 1.8 5.72 817 590 A 69 ALA HB% A 50 GLY H 1.0 1.8 5.31 818 591 A 50 GLY HAx A 51 VAL HG1% 1.0 1.8 5.73 819 591 A 50 GLY HAy A 51 VAL HG1% 1.0 1.8 5.73 820 591 A 51 VAL HG2% A 50 GLY HAx 1.0 1.8 5.73 821 591 A 51 VAL HG2% A 50 GLY HAy 1.0 1.8 5.73 822 592 A 50 GLY HAy A 66 GLU HGx 1.0 1.8 4.95 823 592 A 50 GLY HAx A 66 GLU HGx 1.0 1.8 4.95 824 592 A 66 GLU HGy A 50 GLY HAx 1.0 1.8 4.95 825 592 A 50 GLY HAy A 66 GLU HGy 1.0 1.8 4.95 826 593 A 68 ASN H A 50 GLY HAx 1.0 1.8 4.62 827 593 A 50 GLY HAy A 68 ASN H 1.0 1.8 4.62 828 594 A 69 ALA H A 50 GLY HAx 1.0 1.8 5.15 829 594 A 69 ALA H A 50 GLY HAy 1.0 1.8 5.15 830 595 A 66 GLU H A 50 GLY HAx 1.0 1.8 6.00 831 596 A 66 GLU HGy A 50 GLY HAx 1.0 1.8 5.78 832 596 A 50 GLY HAx A 66 GLU HGx 1.0 1.8 5.78 833 597 A 69 ALA HB% A 50 GLY HAx 1.0 1.8 4.80 834 598 A 50 GLY HAy A 66 GLU H 1.0 1.8 6.00 835 599 A 50 GLY HAy A 66 GLU HGy 1.0 1.8 5.78 836 599 A 50 GLY HAy A 66 GLU HGx 1.0 1.8 5.78 837 600 A 69 ALA HB% A 50 GLY HAy 1.0 1.8 4.80 838 601 A 51 VAL HA A 53 SER H 1.0 1.8 4.77 839 602 A 51 VAL HA A 63 ILE HG2% 1.0 1.8 5.60 840 603 A 65 LYS HA A 51 VAL HA 1.0 1.8 5.07 841 604 A 65 LYS H A 51 VAL HA 1.0 1.8 4.55 842 605 A 66 GLU H A 51 VAL HA 1.0 1.8 5.87 843 606 A 51 VAL HB A 52 LYS H 1.0 1.8 5.43 844 607 A 51 VAL HB A 65 LYS HA 1.0 1.8 6.00 845 608 A 51 VAL H A 51 VAL HB 1.0 1.8 3.76 846 609 A 51 VAL H A 51 VAL HG1% 1.0 1.8 3.63 847 609 A 51 VAL HG2% A 51 VAL H 1.0 1.8 3.63 848 610 A 51 VAL H A 51 VAL HG1% 1.0 1.8 4.26 849 611 A 51 VAL HG2% A 51 VAL H 1.0 1.8 4.26 850 612 A 51 VAL H A 52 LYS H 1.0 1.8 5.65 851 613 A 52 LYS H A 51 VAL HG1% 1.0 1.8 4.21 852 613 A 51 VAL HG2% A 52 LYS H 1.0 1.8 4.21 853 614 A 53 SER HA A 51 VAL HG1% 1.0 1.8 5.66 854 614 A 53 SER HA A 51 VAL HG2% 1.0 1.8 5.66 855 615 A 53 SER H A 51 VAL HG1% 1.0 1.8 4.55 856 615 A 51 VAL HG2% A 53 SER H 1.0 1.8 4.55 857 616 A 54 ILE HA A 51 VAL HG1% 1.0 1.8 5.46 858 616 A 51 VAL HG2% A 54 ILE HA 1.0 1.8 5.46 859 617 A 51 VAL HG2% A 54 ILE HG1y 1.0 1.8 4.14 860 617 A 51 VAL HG1% A 54 ILE HG1y 1.0 1.8 4.14 861 617 A 54 ILE HG1x A 51 VAL HG1% 1.0 1.8 4.14 862 617 A 51 VAL HG2% A 54 ILE HG1x 1.0 1.8 4.14 863 618 A 63 ILE HG2% A 51 VAL HG1% 1.0 1.8 3.85 864 618 A 51 VAL HG2% A 63 ILE HG2% 1.0 1.8 3.85 865 619 A 64 ASP H A 51 VAL HG1% 1.0 1.8 5.10 866 619 A 51 VAL HG2% A 64 ASP H 1.0 1.8 5.10 867 620 A 52 LYS H A 51 VAL HG1% 1.0 1.8 5.13 868 621 A 51 VAL HG2% A 52 LYS H 1.0 1.8 5.13 869 622 A 53 SER H A 52 LYS H 1.0 1.8 4.07 870 623 A 63 ILE HG2% A 52 LYS H 1.0 1.8 5.60 871 624 A 52 LYS H A 64 ASP HBx 1.0 1.8 5.81 872 625 A 64 ASP HBy A 52 LYS H 1.0 1.8 5.81 873 626 A 65 LYS HA A 52 LYS H 1.0 1.8 4.93 874 627 A 52 LYS H A 65 LYS HBx 1.0 1.8 6.00 875 627 A 52 LYS H A 65 LYS HBy 1.0 1.8 6.00 876 628 A 66 GLU H A 52 LYS H 1.0 1.8 5.55 877 629 A 53 SER H A 52 LYS HBx 1.0 1.8 4.14 878 629 A 53 SER H A 52 LYS HBy 1.0 1.8 4.14 879 630 A 64 ASP H A 52 LYS HBx 1.0 1.8 5.45 880 630 A 64 ASP H A 52 LYS HBy 1.0 1.8 5.45 881 631 A 52 LYS HBy A 64 ASP HBx 1.0 1.8 5.18 882 631 A 64 ASP HBy A 52 LYS HBx 1.0 1.8 5.18 883 631 A 64 ASP HBy A 52 LYS HBy 1.0 1.8 5.18 884 631 A 52 LYS HBx A 64 ASP HBx 1.0 1.8 5.18 885 632 A 52 LYS HEx A 64 ASP HBx 1.0 1.8 5.63 886 632 A 52 LYS HEy A 64 ASP HBx 1.0 1.8 5.63 887 632 A 64 ASP HBy A 52 LYS HEx 1.0 1.8 5.63 888 632 A 64 ASP HBy A 52 LYS HEy 1.0 1.8 5.63 889 633 A 54 ILE H A 53 SER H 1.0 1.8 5.35 890 634 A 53 SER H A 63 ILE HG2% 1.0 1.8 4.96 891 635 A 64 ASP HA A 53 SER H 1.0 1.8 5.39 892 636 A 53 SER H A 64 ASP H 1.0 1.8 4.69 893 637 A 53 SER H A 64 ASP HBx 1.0 1.8 4.08 894 637 A 64 ASP HBy A 53 SER H 1.0 1.8 4.08 895 638 A 53 SER H A 64 ASP HBx 1.0 1.8 4.68 896 639 A 64 ASP HBy A 53 SER H 1.0 1.8 4.68 897 640 A 54 ILE HA A 53 SER HBx 1.0 1.8 6.00 898 640 A 53 SER HBy A 54 ILE HA 1.0 1.8 6.00 899 641 A 54 ILE H A 53 SER HBx 1.0 1.8 4.35 900 641 A 54 ILE H A 53 SER HBy 1.0 1.8 4.35 901 642 A 64 ASP H A 53 SER HBx 1.0 1.8 5.46 902 642 A 53 SER HBy A 64 ASP H 1.0 1.8 5.46 903 643 A 53 SER HBx A 64 ASP HBx 1.0 1.8 5.07 904 643 A 53 SER HBy A 64 ASP HBx 1.0 1.8 5.07 905 643 A 64 ASP HBy A 53 SER HBx 1.0 1.8 5.07 906 643 A 64 ASP HBy A 53 SER HBy 1.0 1.8 5.07 907 644 A 53 SER HBx A 64 ASP HBx 1.0 1.8 5.91 908 644 A 53 SER HBy A 64 ASP HBx 1.0 1.8 5.91 909 645 A 64 ASP HBy A 53 SER HBy 1.0 1.8 5.91 910 645 A 64 ASP HBy A 53 SER HBx 1.0 1.8 5.91 911 646 A 55 PHE HA A 54 ILE HA 1.0 1.8 5.40 912 647 A 54 ILE HA A 55 PHE HBx 1.0 1.8 5.96 913 647 A 54 ILE HA A 55 PHE HBy 1.0 1.8 5.96 914 648 A 62 SER H A 54 ILE HA 1.0 1.8 5.55 915 649 A 54 ILE HA A 64 ASP H 1.0 1.8 4.98 916 650 A 55 PHE H A 54 ILE HB 1.0 1.8 5.31 917 651 A 54 ILE H A 54 ILE HG2% 1.0 1.8 4.57 918 652 A 54 ILE H A 64 ASP H 1.0 1.8 5.62 919 653 A 55 PHE HA A 54 ILE HG2% 1.0 1.8 5.96 920 654 A 55 PHE H A 54 ILE HG2% 1.0 1.8 4.33 921 655 A 54 ILE HG2% A 55 PHE HBx 1.0 1.8 6.00 922 655 A 54 ILE HG2% A 55 PHE HBy 1.0 1.8 6.00 923 656 A 62 SER H A 54 ILE HG2% 1.0 1.8 5.11 924 657 A 55 PHE HA A 55 PHE HD% 1.0 1.8 5.08 925 658 A 55 PHE HD% A 55 PHE H 1.0 1.8 5.44 926 659 A 56 TYR H A 55 PHE H 1.0 1.8 5.66 927 660 A 62 SER H A 55 PHE H 1.0 1.8 5.04 928 661 A 55 PHE H A 62 SER HBx 1.0 1.8 5.20 929 661 A 62 SER HBy A 55 PHE H 1.0 1.8 5.20 930 662 A 55 PHE H A 63 ILE HA 1.0 1.8 5.33 931 663 A 63 ILE H A 55 PHE H 1.0 1.8 5.94 932 664 A 62 SER H A 55 PHE HBx 1.0 1.8 4.98 933 664 A 62 SER H A 55 PHE HBy 1.0 1.8 4.98 934 665 A 55 PHE HBx A 62 SER HBx 1.0 1.8 4.83 935 665 A 55 PHE HBy A 62 SER HBx 1.0 1.8 4.83 936 665 A 62 SER HBy A 55 PHE HBx 1.0 1.8 4.83 937 665 A 62 SER HBy A 55 PHE HBy 1.0 1.8 4.83 938 666 A 56 TYR H A 55 PHE HD% 1.0 1.8 5.18 939 667 A 55 PHE HD% A 62 SER HBx 1.0 1.8 5.16 940 667 A 62 SER HBy A 55 PHE HD% 1.0 1.8 5.16 941 668 A 56 TYR HD% A 56 TYR HA 1.0 1.8 4.52 942 669 A 56 TYR HE% A 56 TYR HA 1.0 1.8 5.44 943 670 A 57 VAL HG1% A 56 TYR HA 1.0 1.8 5.97 944 671 A 56 TYR HA A 61 ILE HA 1.0 1.8 5.46 945 672 A 61 ILE HB A 56 TYR HA 1.0 1.8 6.00 946 673 A 56 TYR HA A 61 ILE HG2% 1.0 1.8 4.40 947 674 A 62 SER H A 56 TYR HA 1.0 1.8 6.00 948 675 A 57 VAL HA A 56 TYR H 1.0 1.8 5.88 949 676 A 57 VAL HG1% A 56 TYR H 1.0 1.8 5.91 950 677 A 56 TYR H A 61 ILE HG2% 1.0 1.8 5.02 951 678 A 62 SER H A 56 TYR H 1.0 1.8 6.00 952 679 A 61 ILE HG2% A 56 TYR HBx 1.0 1.8 4.33 953 679 A 56 TYR HBy A 61 ILE HG2% 1.0 1.8 4.33 954 680 A 57 VAL H A 56 TYR HBx 1.0 1.8 5.32 955 681 A 61 ILE HG2% A 56 TYR HBx 1.0 1.8 5.07 956 682 A 57 VAL H A 56 TYR HBy 1.0 1.8 5.32 957 683 A 56 TYR HBy A 61 ILE HG2% 1.0 1.8 5.07 958 684 A 57 VAL H A 56 TYR HD% 1.0 1.8 4.62 959 685 A 56 TYR HD% A 61 ILE HA 1.0 1.8 5.20 960 686 A 61 ILE H A 56 TYR HD% 1.0 1.8 5.92 961 687 A 56 TYR HD% A 61 ILE HG2% 1.0 1.8 4.10 962 688 A 56 TYR HE% A 57 VAL HA 1.0 1.8 5.79 963 689 A 56 TYR HE% A 57 VAL H 1.0 1.8 5.24 964 690 A 56 TYR HE% A 60 PHE H 1.0 1.8 5.64 965 691 A 56 TYR HE% A 61 ILE HG2% 1.0 1.8 4.68 966 692 A 57 VAL H A 57 VAL HG1% 1.0 1.8 4.62 967 693 A 57 VAL H A 57 VAL HG2% 1.0 1.8 4.56 968 694 A 57 VAL H A 60 PHE H 1.0 1.8 4.98 969 695 A 61 ILE H A 57 VAL H 1.0 1.8 5.41 970 696 A 62 SER H A 57 VAL H 1.0 1.8 5.86 971 697 A 57 VAL HG1% A 58 LEU HA 1.0 1.8 5.59 972 698 A 58 LEU H A 57 VAL HG1% 1.0 1.8 5.48 973 699 A 57 VAL HG1% A 58 LEU HBy 1.0 1.8 4.77 974 699 A 57 VAL HG1% A 58 LEU HBx 1.0 1.8 4.77 975 700 A 57 VAL HG1% A 58 LEU HD2% 1.0 1.8 5.03 976 700 A 57 VAL HG1% A 58 LEU HD1% 1.0 1.8 5.03 977 701 A 59 ASP H A 57 VAL HG1% 1.0 1.8 6.00 978 702 A 57 VAL HG1% A 60 PHE H 1.0 1.8 4.98 979 703 A 60 PHE HD% A 57 VAL HG1% 1.0 1.8 4.68 980 704 A 62 SER H A 57 VAL HG1% 1.0 1.8 5.77 981 705 A 57 VAL HG2% A 58 LEU HA 1.0 1.8 5.17 982 706 A 58 LEU H A 57 VAL HG2% 1.0 1.8 4.23 983 707 A 57 VAL HG2% A 58 LEU HBy 1.0 1.8 4.21 984 707 A 57 VAL HG2% A 58 LEU HBx 1.0 1.8 4.21 985 708 A 58 LEU HA A 58 LEU HD2% 1.0 1.8 3.78 986 708 A 58 LEU HA A 58 LEU HD1% 1.0 1.8 3.78 987 709 A 58 LEU HA A 58 LEU HD1% 1.0 1.8 4.64 988 710 A 58 LEU HA A 58 LEU HD2% 1.0 1.8 4.64 989 711 A 60 PHE H A 58 LEU HA 1.0 1.8 5.30 990 712 A 60 PHE HD% A 58 LEU HA 1.0 1.8 5.99 991 713 A 59 ASP H A 58 LEU HG 1.0 1.8 3.96 992 714 A 60 PHE H A 58 LEU HG 1.0 1.8 5.48 993 715 A 60 PHE HD% A 58 LEU HG 1.0 1.8 5.53 994 716 A 58 LEU H A 58 LEU HG 1.0 1.8 5.16 995 717 A 58 LEU H A 58 LEU HD2% 1.0 1.8 3.99 996 717 A 58 LEU H A 58 LEU HD1% 1.0 1.8 3.99 997 718 A 58 LEU H A 58 LEU HD1% 1.0 1.8 4.65 998 719 A 58 LEU H A 58 LEU HD2% 1.0 1.8 4.65 999 720 A 58 LEU H A 60 PHE H 1.0 1.8 6.00 1000 721 A 60 PHE HD% A 58 LEU HBy 1.0 1.8 4.94 1001 721 A 60 PHE HD% A 58 LEU HBx 1.0 1.8 4.94 1002 722 A 59 ASP H A 58 LEU HBx 1.0 1.8 4.51 1003 723 A 59 ASP H A 58 LEU HBy 1.0 1.8 4.51 1004 724 A 59 ASP H A 58 LEU HD2% 1.0 1.8 3.88 1005 724 A 59 ASP H A 58 LEU HD1% 1.0 1.8 3.88 1006 725 A 60 PHE HD% A 58 LEU HD2% 1.0 1.8 4.77 1007 725 A 60 PHE HD% A 58 LEU HD1% 1.0 1.8 4.77 1008 726 A 59 ASP H A 58 LEU HD1% 1.0 1.8 4.43 1009 727 A 59 ASP H A 58 LEU HD2% 1.0 1.8 4.43 1010 728 A 59 ASP H A 60 PHE H 1.0 1.8 4.29 1011 729 A 60 PHE HD% A 59 ASP H 1.0 1.8 5.04 1012 730 A 60 PHE HD% A 60 PHE HA 1.0 1.8 5.21 1013 731 A 60 PHE HA A 61 ILE HA 1.0 1.8 5.31 1014 732 A 60 PHE HA A 61 ILE HG2% 1.0 1.8 5.91 1015 733 A 60 PHE HD% A 60 PHE H 1.0 1.8 4.63 1016 734 A 61 ILE HG2% A 60 PHE H 1.0 1.8 5.10 1017 735 A 61 ILE H A 60 PHE HBx 1.0 1.8 4.95 1018 736 A 62 SER H A 60 PHE HBx 1.0 1.8 5.78 1019 737 A 61 ILE H A 60 PHE HBy 1.0 1.8 5.11 1020 738 A 60 PHE HD% A 61 ILE HA 1.0 1.8 5.49 1021 739 A 61 ILE H A 60 PHE HD% 1.0 1.8 5.31 1022 740 A 62 SER H A 60 PHE HD% 1.0 1.8 5.49 1023 741 A 60 PHE HD% A 62 SER HBx 1.0 1.8 5.33 1024 741 A 62 SER HBy A 60 PHE HD% 1.0 1.8 5.33 1025 742 A 61 ILE HA A 61 ILE HG2% 1.0 1.8 4.25 1026 743 A 61 ILE HA A 62 SER HBx 1.0 1.8 5.98 1027 743 A 62 SER HBy A 61 ILE HA 1.0 1.8 5.98 1028 744 A 62 SER HA A 61 ILE HB 1.0 1.8 5.91 1029 745 A 62 SER H A 61 ILE HB 1.0 1.8 4.71 1030 746 A 61 ILE HB A 63 ILE HA 1.0 1.8 5.97 1031 747 A 61 ILE H A 61 ILE HG1y 1.0 1.8 4.73 1032 747 A 61 ILE H A 61 ILE HG1x 1.0 1.8 4.73 1033 748 A 61 ILE H A 61 ILE HG2% 1.0 1.8 4.56 1034 749 A 61 ILE H A 62 SER H 1.0 1.8 5.50 1035 750 A 61 ILE H A 63 ILE HD11 1.0 1.8 5.59 1036 751 A 62 SER HA A 61 ILE HD1% 1.0 1.8 6.00 1037 752 A 62 SER H A 61 ILE HD1% 1.0 1.8 5.23 1038 753 A 62 SER H A 61 ILE HG1y 1.0 1.8 5.81 1039 753 A 61 ILE HG1x A 62 SER H 1.0 1.8 5.81 1040 754 A 62 SER H A 61 ILE HG2% 1.0 1.8 4.32 1041 755 A 62 SER HA A 64 ASP H 1.0 1.8 6.00 1042 756 A 62 SER H A 63 ILE HA 1.0 1.8 5.97 1043 757 A 63 ILE H A 62 SER H 1.0 1.8 5.72 1044 758 A 63 ILE HA A 62 SER HBx 1.0 1.8 5.43 1045 758 A 62 SER HBy A 63 ILE HA 1.0 1.8 5.43 1046 759 A 63 ILE H A 62 SER HBx 1.0 1.8 4.97 1047 759 A 63 ILE H A 62 SER HBy 1.0 1.8 4.97 1048 760 A 63 ILE HD11 A 62 SER HBx 1.0 1.8 6.00 1049 760 A 62 SER HBy A 63 ILE HD11 1.0 1.8 6.00 1050 761 A 63 ILE HB A 64 ASP H 1.0 1.8 5.38 1051 762 A 63 ILE H A 63 ILE HD11 1.0 1.8 4.72 1052 763 A 63 ILE H A 63 ILE HG2% 1.0 1.8 4.44 1053 764 A 63 ILE HG2% A 64 ASP H 1.0 1.8 4.33 1054 765 A 65 LYS HA A 63 ILE HG2% 1.0 1.8 4.92 1055 766 A 65 LYS H A 64 ASP H 1.0 1.8 5.27 1056 767 A 65 LYS H A 64 ASP HBx 1.0 1.8 5.19 1057 768 A 65 LYS H A 64 ASP HBy 1.0 1.8 5.19 1058 769 A 69 ALA HB% A 65 LYS HA 1.0 1.8 5.67 1059 770 A 65 LYS H A 65 LYS HGx 1.0 1.8 5.22 1060 770 A 65 LYS H A 65 LYS HGy 1.0 1.8 5.22 1061 771 A 65 LYS H A 66 GLU H 1.0 1.8 4.87 1062 772 A 65 LYS H A 71 TRP HZ2 1.0 1.8 5.73 1063 773 A 66 GLU H A 65 LYS HBx 1.0 1.8 4.58 1064 773 A 66 GLU H A 65 LYS HBy 1.0 1.8 4.58 1065 774 A 69 ALA H A 65 LYS HBx 1.0 1.8 5.21 1066 774 A 69 ALA H A 65 LYS HBy 1.0 1.8 5.21 1067 775 A 69 ALA HB% A 65 LYS HBx 1.0 1.8 5.04 1068 775 A 69 ALA HB% A 65 LYS HBy 1.0 1.8 5.04 1069 776 A 66 GLU H A 65 LYS HGx 1.0 1.8 4.75 1070 776 A 66 GLU H A 65 LYS HGy 1.0 1.8 4.75 1071 777 A 69 ALA HB% A 66 GLU H 1.0 1.8 4.51 1072 778 A 67 ASP H A 67 ASP HBx 1.0 1.8 4.17 1073 778 A 67 ASP H A 67 ASP HBy 1.0 1.8 4.17 1074 779 A 68 ASN H A 67 ASP H 1.0 1.8 4.84 1075 780 A 69 ALA H A 67 ASP H 1.0 1.8 5.41 1076 781 A 69 ALA HB% A 67 ASP H 1.0 1.8 5.58 1077 782 A 68 ASN H A 67 ASP HBx 1.0 1.8 4.12 1078 782 A 68 ASN H A 67 ASP HBy 1.0 1.8 4.12 1079 783 A 69 ALA H A 67 ASP HBx 1.0 1.8 5.22 1080 783 A 69 ALA H A 67 ASP HBy 1.0 1.8 5.22 1081 784 A 69 ALA H A 68 ASN H 1.0 1.8 4.13 1082 785 A 69 ALA HB% A 68 ASN H 1.0 1.8 5.11 1083 786 A 69 ALA HB% A 68 ASN HBy 1.0 1.8 5.46 1084 786 A 69 ALA HB% A 68 ASN HBx 1.0 1.8 5.46 1085 787 A 69 ALA HA A 70 ASN HD2x 1.0 1.8 5.56 1086 788 A 69 ALA H A 69 ALA HB% 1.0 1.8 3.68 1087 789 A 69 ALA H A 70 ASN H 1.0 1.8 4.68 1088 790 A 69 ALA HB% A 70 ASN H 1.0 1.8 4.05 1089 791 A 70 ASN HD2x A 70 ASN HA 1.0 1.8 5.48 1090 792 A 70 ASN HA A 72 ASN H 1.0 1.8 5.83 1091 793 A 70 ASN HA A 73 GLU H 1.0 1.8 5.51 1092 794 A 70 ASN H A 70 ASN HD2x 1.0 1.8 5.31 1093 795 A 70 ASN H A 70 ASN HD2y 1.0 1.8 5.31 1094 796 A 70 ASN H A 71 TRP HA 1.0 1.8 5.21 1095 797 A 70 ASN H A 71 TRP H 1.0 1.8 5.69 1096 798 A 73 GLU H A 70 ASN HBx 1.0 1.8 5.12 1097 798 A 73 GLU H A 70 ASN HBy 1.0 1.8 5.12 1098 799 A 70 ASN HBx A 73 GLU HBx 1.0 1.8 5.74 1099 799 A 70 ASN HBy A 73 GLU HBx 1.0 1.8 5.74 1100 799 A 73 GLU HBy A 70 ASN HBx 1.0 1.8 5.74 1101 799 A 70 ASN HBy A 73 GLU HBy 1.0 1.8 5.74 1102 800 A 73 GLU HGy A 70 ASN HBx 1.0 1.8 5.73 1103 800 A 70 ASN HBx A 73 GLU HGx 1.0 1.8 5.73 1104 801 A 70 ASN HBy A 73 GLU HGy 1.0 1.8 5.73 1105 801 A 70 ASN HBy A 73 GLU HGx 1.0 1.8 5.73 1106 802 A 70 ASN HD2x A 71 TRP HA 1.0 1.8 5.27 1107 803 A 70 ASN HD2x A 72 ASN H 1.0 1.8 6.00 1108 804 A 70 ASN HD2x A 73 GLU HGx 1.0 1.8 5.21 1109 804 A 70 ASN HD2x A 73 GLU HGy 1.0 1.8 5.21 1110 805 A 71 TRP HA A 72 ASN HD2x 1.0 1.8 5.21 1111 805 A 71 TRP HA A 72 ASN HD2y 1.0 1.8 5.21 1112 806 A 71 TRP HA A 72 ASN HD2x 1.0 1.8 6.00 1113 807 A 71 TRP HA A 72 ASN HD2y 1.0 1.8 6.00 1114 808 A 71 TRP H A 71 TRP HD1 1.0 1.8 6.00 1115 809 A 72 ASN H A 71 TRP H 1.0 1.8 6.00 1116 810 A 73 GLU H A 71 TRP H 1.0 1.8 5.71 1117 811 A 72 ASN H A 71 TRP HBx 1.0 1.8 5.48 1118 811 A 72 ASN H A 71 TRP HBy 1.0 1.8 5.48 1119 812 A 73 GLU H A 71 TRP HBx 1.0 1.8 5.32 1120 812 A 73 GLU H A 71 TRP HBy 1.0 1.8 5.32 1121 813 A 75 LEU HA A 71 TRP HBx 1.0 1.8 5.03 1122 813 A 71 TRP HBy A 75 LEU HA 1.0 1.8 5.03 1123 814 A 75 LEU H A 71 TRP HBx 1.0 1.8 5.26 1124 814 A 71 TRP HBy A 75 LEU H 1.0 1.8 5.26 1125 815 A 78 ILE HG2% A 71 TRP HBx 1.0 1.8 6.00 1126 815 A 78 ILE HG2% A 71 TRP HBy 1.0 1.8 6.00 1127 816 A 72 ASN HD2x A 72 ASN HA 1.0 1.8 4.42 1128 816 A 72 ASN HD2y A 72 ASN HA 1.0 1.8 4.42 1129 817 A 72 ASN HD2x A 72 ASN HA 1.0 1.8 5.04 1130 818 A 72 ASN HD2y A 72 ASN HA 1.0 1.8 5.04 1131 819 A 72 ASN H A 72 ASN HD2x 1.0 1.8 5.12 1132 819 A 72 ASN H A 72 ASN HD2y 1.0 1.8 5.12 1133 820 A 72 ASN H A 73 GLU H 1.0 1.8 4.72 1134 821 A 74 LEU H A 72 ASN H 1.0 1.8 5.90 1135 822 A 72 ASN H A 75 LEU H 1.0 1.8 5.93 1136 823 A 73 GLU H A 72 ASN HBx 1.0 1.8 4.34 1137 823 A 73 GLU H A 72 ASN HBy 1.0 1.8 4.34 1138 824 A 72 ASN HBy A 73 GLU HGx 1.0 1.8 6.00 1139 824 A 73 GLU HGy A 72 ASN HBx 1.0 1.8 6.00 1140 824 A 73 GLU HGy A 72 ASN HBy 1.0 1.8 6.00 1141 824 A 72 ASN HBx A 73 GLU HGx 1.0 1.8 6.00 1142 825 A 74 LEU H A 72 ASN HBx 1.0 1.8 5.22 1143 825 A 74 LEU H A 72 ASN HBy 1.0 1.8 5.22 1144 826 A 72 ASN HD2y A 73 GLU HGx 1.0 1.8 5.81 1145 826 A 73 GLU HGy A 72 ASN HD2x 1.0 1.8 5.81 1146 826 A 73 GLU HGy A 72 ASN HD2y 1.0 1.8 5.81 1147 826 A 72 ASN HD2x A 73 GLU HGx 1.0 1.8 5.81 1148 827 A 73 GLU H A 73 GLU HGx 1.0 1.8 4.47 1149 827 A 73 GLU H A 73 GLU HGy 1.0 1.8 4.47 1150 828 A 74 LEU H A 73 GLU H 1.0 1.8 4.01 1151 829 A 73 GLU H A 74 LEU HBy 1.0 1.8 5.51 1152 830 A 73 GLU H A 75 LEU H 1.0 1.8 4.86 1153 831 A 74 LEU H A 73 GLU HGx 1.0 1.8 5.23 1154 831 A 74 LEU H A 73 GLU HGy 1.0 1.8 5.23 1155 832 A 74 LEU HA A 75 LEU HBy 1.0 1.8 5.50 1156 832 A 74 LEU HA A 75 LEU HBx 1.0 1.8 5.50 1157 833 A 74 LEU H A 75 LEU HA 1.0 1.8 5.12 1158 834 A 74 LEU H A 75 LEU H 1.0 1.8 4.55 1159 835 A 74 LEU H A 77 GLN H 1.0 1.8 5.48 1160 836 A 78 ILE HG2% A 74 LEU H 1.0 1.8 5.47 1161 837 A 75 LEU HA A 74 LEU HBx 1.0 1.8 5.61 1162 838 A 74 LEU HBx A 75 LEU HBy 1.0 1.8 5.61 1163 838 A 75 LEU HBx A 74 LEU HBx 1.0 1.8 5.61 1164 839 A 75 LEU HA A 74 LEU HBy 1.0 1.8 4.62 1165 840 A 75 LEU H A 74 LEU HBy 1.0 1.8 5.63 1166 841 A 74 LEU HBy A 75 LEU HBy 1.0 1.8 5.04 1167 841 A 74 LEU HBy A 75 LEU HBx 1.0 1.8 5.04 1168 842 A 74 LEU HBy A 77 GLN H 1.0 1.8 5.23 1169 843 A 75 LEU H A 75 LEU HBy 1.0 1.8 3.57 1170 843 A 75 LEU H A 75 LEU HBx 1.0 1.8 3.57 1171 844 A 75 LEU H A 76 PRO HDx 1.0 1.8 4.91 1172 845 A 75 LEU H A 76 PRO HDy 1.0 1.8 4.89 1173 846 A 75 LEU H A 76 PRO HGy 1.0 1.8 5.44 1174 846 A 75 LEU H A 76 PRO HGx 1.0 1.8 5.44 1175 847 A 75 LEU H A 77 GLN H 1.0 1.8 5.44 1176 848 A 75 LEU H A 78 ILE H 1.0 1.8 5.68 1177 849 A 78 ILE HG2% A 75 LEU H 1.0 1.8 4.89 1178 850 A 79 GLU H A 75 LEU H 1.0 1.8 5.99 1179 851 A 76 PRO HDx A 75 LEU HBy 1.0 1.8 4.50 1180 851 A 75 LEU HBx A 76 PRO HDx 1.0 1.8 4.50 1181 852 A 76 PRO HDy A 75 LEU HBy 1.0 1.8 4.24 1182 852 A 75 LEU HBx A 76 PRO HDy 1.0 1.8 4.24 1183 853 A 75 LEU HBx A 76 PRO HDx 1.0 1.8 5.11 1184 854 A 76 PRO HDx A 75 LEU HBy 1.0 1.8 5.11 1185 855 A 79 GLU H A 76 PRO HA 1.0 1.8 4.94 1186 856 A 76 PRO HA A 79 GLU HBx 1.0 1.8 4.13 1187 856 A 79 GLU HBy A 76 PRO HA 1.0 1.8 4.13 1188 857 A 78 ILE HG2% A 76 PRO HDx 1.0 1.8 5.63 1189 858 A 77 GLN H A 76 PRO HDy 1.0 1.8 4.71 1190 859 A 77 GLN H A 76 PRO HGy 1.0 1.8 4.95 1191 859 A 77 GLN H A 76 PRO HGx 1.0 1.8 4.95 1192 860 A 79 GLU H A 77 GLN HA 1.0 1.8 4.85 1193 861 A 77 GLN HA A 80 ASN H 1.0 1.8 4.58 1194 862 A 77 GLN HA A 80 ASN HBx 1.0 1.8 4.99 1195 862 A 77 GLN HA A 80 ASN HBy 1.0 1.8 4.99 1196 863 A 77 GLN H A 77 GLN HBx 1.0 1.8 3.81 1197 863 A 77 GLN H A 77 GLN HBy 1.0 1.8 3.81 1198 864 A 77 GLN H A 77 GLN HGx 1.0 1.8 4.33 1199 864 A 77 GLN H A 77 GLN HGy 1.0 1.8 4.33 1200 865 A 77 GLN H A 78 ILE HA 1.0 1.8 6.00 1201 866 A 77 GLN H A 78 ILE H 1.0 1.8 4.31 1202 867 A 78 ILE HG2% A 77 GLN H 1.0 1.8 4.42 1203 868 A 79 GLU H A 77 GLN H 1.0 1.8 5.12 1204 869 A 77 GLN H A 80 ASN HBx 1.0 1.8 5.76 1205 869 A 77 GLN H A 80 ASN HBy 1.0 1.8 5.76 1206 870 A 78 ILE H A 77 GLN HBx 1.0 1.8 4.12 1207 870 A 78 ILE H A 77 GLN HBy 1.0 1.8 4.12 1208 871 A 78 ILE H A 77 GLN HGx 1.0 1.8 5.39 1209 871 A 78 ILE H A 77 GLN HGy 1.0 1.8 5.39 1210 872 A 78 ILE HG2% A 78 ILE HA 1.0 1.8 4.01 1211 873 A 79 GLU HA A 78 ILE HA 1.0 1.8 6.00 1212 874 A 80 ASN H A 78 ILE HA 1.0 1.8 5.32 1213 875 A 81 THR HB A 78 ILE HA 1.0 1.8 5.66 1214 876 A 81 THR H A 78 ILE HA 1.0 1.8 5.08 1215 877 A 81 THR HG2% A 78 ILE HA 1.0 1.8 5.10 1216 878 A 79 GLU H A 78 ILE HB 1.0 1.8 5.27 1217 879 A 78 ILE HG2% A 78 ILE H 1.0 1.8 4.10 1218 880 A 79 GLU HA A 78 ILE H 1.0 1.8 5.62 1219 881 A 79 GLU H A 78 ILE H 1.0 1.8 4.60 1220 882 A 78 ILE H A 80 ASN H 1.0 1.8 5.16 1221 883 A 78 ILE H A 80 ASN HBx 1.0 1.8 5.87 1222 883 A 78 ILE H A 80 ASN HBy 1.0 1.8 5.87 1223 884 A 78 ILE HG2% A 79 GLU H 1.0 1.8 4.23 1224 885 A 79 GLU HA A 82 PHE HBx 1.0 1.8 5.81 1225 885 A 82 PHE HBy A 79 GLU HA 1.0 1.8 5.81 1226 886 A 82 PHE HD% A 79 GLU HA 1.0 1.8 5.07 1227 887 A 79 GLU H A 79 GLU HBx 1.0 1.8 3.78 1228 887 A 79 GLU H A 79 GLU HBy 1.0 1.8 3.78 1229 888 A 79 GLU H A 79 GLU HGx 1.0 1.8 4.23 1230 888 A 79 GLU H A 79 GLU HGy 1.0 1.8 4.23 1231 889 A 79 GLU H A 80 ASN H 1.0 1.8 4.29 1232 890 A 79 GLU H A 81 THR H 1.0 1.8 5.33 1233 891 A 82 PHE H A 79 GLU H 1.0 1.8 5.80 1234 892 A 80 ASN H A 79 GLU HBx 1.0 1.8 3.98 1235 892 A 79 GLU HBy A 80 ASN H 1.0 1.8 3.98 1236 893 A 82 PHE H A 79 GLU HBx 1.0 1.8 5.42 1237 893 A 82 PHE H A 79 GLU HBy 1.0 1.8 5.42 1238 894 A 80 ASN H A 79 GLU HGx 1.0 1.8 4.79 1239 894 A 79 GLU HGy A 80 ASN H 1.0 1.8 4.79 1240 895 A 82 PHE H A 80 ASN HA 1.0 1.8 5.33 1241 896 A 80 ASN HA A 83 ALA H 1.0 1.8 4.54 1242 897 A 80 ASN HA A 83 ALA HB% 1.0 1.8 4.15 1243 898 A 80 ASN H A 80 ASN HBx 1.0 1.8 3.66 1244 898 A 80 ASN H A 80 ASN HBy 1.0 1.8 3.66 1245 899 A 81 THR H A 80 ASN H 1.0 1.8 4.59 1246 900 A 82 PHE H A 80 ASN H 1.0 1.8 5.36 1247 901 A 80 ASN H A 83 ALA H 1.0 1.8 4.95 1248 902 A 81 THR H A 80 ASN HBx 1.0 1.8 4.31 1249 902 A 81 THR H A 80 ASN HBy 1.0 1.8 4.31 1250 903 A 81 THR HG2% A 81 THR HA 1.0 1.8 3.98 1251 904 A 81 THR HA A 82 PHE HA 1.0 1.8 5.51 1252 905 A 81 THR HA A 83 ALA H 1.0 1.8 4.93 1253 906 A 81 THR HA A 84 LYS H 1.0 1.8 5.02 1254 907 A 81 THR HA A 84 LYS HBx 1.0 1.8 5.65 1255 907 A 81 THR HA A 84 LYS HBy 1.0 1.8 5.65 1256 908 A 82 PHE H A 81 THR HB 1.0 1.8 5.14 1257 909 A 82 PHE HD% A 81 THR HB 1.0 1.8 5.88 1258 910 A 81 THR HG2% A 81 THR H 1.0 1.8 4.21 1259 911 A 82 PHE H A 81 THR H 1.0 1.8 4.34 1260 912 A 82 PHE HD% A 81 THR H 1.0 1.8 5.40 1261 913 A 81 THR H A 83 ALA HB% 1.0 1.8 5.28 1262 914 A 82 PHE H A 81 THR HG2% 1.0 1.8 4.69 1263 915 A 82 PHE HD% A 81 THR HG2% 1.0 1.8 5.30 1264 916 A 82 PHE HD% A 82 PHE HA 1.0 1.8 4.77 1265 917 A 82 PHE HA A 85 SER H 1.0 1.8 4.19 1266 918 A 82 PHE H A 82 PHE HD% 1.0 1.8 4.32 1267 919 A 82 PHE H A 83 ALA HA 1.0 1.8 6.00 1268 920 A 82 PHE H A 83 ALA H 1.0 1.8 4.02 1269 921 A 82 PHE H A 83 ALA HB% 1.0 1.8 4.99 1270 922 A 82 PHE H A 84 LYS H 1.0 1.8 5.24 1271 923 A 83 ALA H A 82 PHE HBx 1.0 1.8 3.91 1272 923 A 82 PHE HBy A 83 ALA H 1.0 1.8 3.91 1273 924 A 83 ALA HB% A 82 PHE HBx 1.0 1.8 5.15 1274 924 A 82 PHE HBy A 83 ALA HB% 1.0 1.8 5.15 1275 925 A 83 ALA H A 82 PHE HBx 1.0 1.8 4.49 1276 926 A 82 PHE HBy A 83 ALA H 1.0 1.8 4.49 1277 927 A 82 PHE HD% A 83 ALA HA 1.0 1.8 5.79 1278 928 A 82 PHE HD% A 83 ALA H 1.0 1.8 5.10 1279 929 A 82 PHE HD% A 84 LYS H 1.0 1.8 5.88 1280 930 A 83 ALA H A 83 ALA HB% 1.0 1.8 3.50 1281 931 A 83 ALA H A 84 LYS H 1.0 1.8 4.29 1282 932 A 83 ALA HB% A 84 LYS H 1.0 1.8 3.76 1283 933 A 83 ALA HB% A 85 SER H 1.0 1.8 4.96 1284 934 A 84 LYS H A 84 LYS HBx 1.0 1.8 3.78 1285 934 A 84 LYS H A 84 LYS HBy 1.0 1.8 3.78 1286 935 A 84 LYS H A 84 LYS HEx 1.0 1.8 5.12 1287 935 A 84 LYS H A 84 LYS HEy 1.0 1.8 5.12 1288 936 A 85 SER H A 84 LYS HBx 1.0 1.8 4.60 1289 936 A 84 LYS HBy A 85 SER H 1.0 1.8 4.60 1290 937 A 85 SER H A 84 LYS HEx 1.0 1.8 5.62 1291 937 A 85 SER H A 84 LYS HEy 1.0 1.8 5.62 1292 938 A 85 SER H A 86 ASN H 1.0 1.8 5.05 1293 939 A 86 ASN H A 85 SER HBx 1.0 1.8 5.39 1294 939 A 86 ASN H A 85 SER HBy 1.0 1.8 5.39 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 1 MET C A 2 GLU N A 2 GLU CA A 2 GLU C 1.0 -162.3 -75.3 PHI 2 2 A 2 GLU N A 2 GLU CA A 2 GLU C A 3 ILE N 1.0 95.4 185.4 PSI 3 3 A 2 GLU C A 3 ILE N A 3 ILE CA A 3 ILE C 1.0 -116.2 -52.6 PHI 4 4 A 3 ILE N A 3 ILE CA A 3 ILE C A 4 ILE N 1.0 119.8 154.6 PSI 5 5 A 4 ILE C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -189.2 -108.2 PHI 6 6 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 ILE N 1.0 109.3 178.5 PSI 7 7 A 5 ALA C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -159.1 -97.9 PHI 8 8 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 SER N 1.0 110.6 158.2 PSI 9 9 A 6 ILE C A 7 SER N A 7 SER CA A 7 SER C 1.0 -188.0 -56.4 PHI 10 10 A 7 SER N A 7 SER CA A 7 SER C A 8 GLU N 1.0 106.1 184.7 PSI 11 11 A 7 SER C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -122.0 -60.0 PHI 12 12 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 THR N 1.0 100.0 180.0 PSI 13 13 A 8 GLU C A 9 THR N A 9 THR CA A 9 THR C 1.0 -150.0 -50.0 PHI 14 14 A 9 THR N A 9 THR CA A 9 THR C A 10 PRO N 1.0 70.0 190.0 PSI 15 15 A 11 ASN C A 12 HIS N A 12 HIS CA A 12 HIS C 1.0 -110.0 -12.0 PHI 16 16 A 12 HIS N A 12 HIS CA A 12 HIS C A 13 ASN N 1.0 -70.0 20.0 PSI 17 17 A 12 HIS C A 13 ASN N A 13 ASN CA A 13 ASN C 1.0 -145.0 -60.0 PHI 18 18 A 13 ASN C A 14 THR N A 14 THR CA A 14 THR C 1.0 -134.4 -90.6 PHI 19 19 A 14 THR N A 14 THR CA A 14 THR C A 15 MET N 1.0 118.6 157.8 PSI 20 20 A 14 THR C A 15 MET N A 15 MET CA A 15 MET C 1.0 -154.6 -94.2 PHI 21 21 A 15 MET N A 15 MET CA A 15 MET C A 16 LYS N 1.0 106.7 151.9 PSI 22 22 A 15 MET C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -145.0 -95.2 PHI 23 23 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 VAL N 1.0 106.0 137.0 PSI 24 24 A 16 LYS C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -151.9 -70.5 PHI 25 25 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 SER N 1.0 96.2 142.4 PSI 26 26 A 17 VAL C A 18 SER N A 18 SER CA A 18 SER C 1.0 -149.5 -63.3 PHI 27 27 A 18 SER N A 18 SER CA A 18 SER C A 19 LEU N 1.0 85.0 174.2 PSI 28 28 A 18 SER C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -170.0 -30.0 PHI 29 29 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 SER N 1.0 100.0 200.0 PSI 30 30 A 23 ARG C A 24 GLN N A 24 GLN CA A 24 GLN C 1.0 -122.0 -20.0 PHI 31 31 A 24 GLN N A 24 GLN CA A 24 GLN C A 25 ASP N 1.0 -82.0 40.0 PSI 32 32 A 24 GLN C A 25 ASP N A 25 ASP CA A 25 ASP C 1.0 -140.0 -60.0 PHI 33 33 A 25 ASP N A 25 ASP CA A 25 ASP C A 26 ASN N 1.0 -63.0 60.0 PSI 34 34 A 27 SER C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -140.5 -103.5 PHI 35 35 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 THR N 1.0 132.5 174.9 PSI 36 36 A 28 PHE C A 29 THR N A 29 THR CA A 29 THR C 1.0 -176.2 -102.6 PHI 37 37 A 29 THR N A 29 THR CA A 29 THR C A 30 THR N 1.0 107.7 158.9 PSI 38 38 A 29 THR C A 30 THR N A 30 THR CA A 30 THR C 1.0 -123.1 -79.1 PHI 39 39 A 30 THR N A 30 THR CA A 30 THR C A 31 TYR N 1.0 118.0 139.0 PSI 40 40 A 30 THR C A 31 TYR N A 31 TYR CA A 31 TYR C 1.0 -137.1 -81.5 PHI 41 41 A 31 TYR N A 31 TYR CA A 31 TYR C A 32 THR N 1.0 116.5 179.1 PSI 42 42 A 31 TYR C A 32 THR N A 32 THR CA A 32 THR C 1.0 -170.2 -87.2 PHI 43 43 A 32 THR N A 32 THR CA A 32 THR C A 33 ALA N 1.0 119.1 176.7 PSI 44 44 A 32 THR C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -187.2 -74.6 PHI 45 45 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 ALA N 1.0 122.5 169.5 PSI 46 46 A 33 ALA C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -113.5 -58.7 PHI 47 47 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 GLN N 1.0 113.3 167.7 PSI 48 48 A 34 ALA C A 35 GLN N A 35 GLN CA A 35 GLN C 1.0 -167.1 -65.1 PHI 49 49 A 35 GLN N A 35 GLN CA A 35 GLN C A 36 GLU N 1.0 110.0 174.0 PSI 50 50 A 35 GLN C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -88.3 -42.3 PHI 51 51 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 GLY N 1.0 121.8 141.8 PSI 52 52 A 37 GLY C A 38 GLN N A 38 GLN CA A 38 GLN C 1.0 -121.3 -37.9 PHI 53 53 A 38 GLN N A 38 GLN CA A 38 GLN C A 39 PRO N 1.0 105.7 179.7 PSI 54 54 A 39 PRO C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -70.9 -43.9 PHI 55 55 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 PHE N 1.0 -48.3 -24.9 PSI 56 56 A 40 GLU C A 41 PHE N A 41 PHE CA A 41 PHE C 1.0 -86.5 -52.5 PHI 57 57 A 41 PHE N A 41 PHE CA A 41 PHE C A 42 ILE N 1.0 -53.0 19.8 PSI 58 58 A 42 ILE C A 43 ASN N A 43 ASN CA A 43 ASN C 1.0 -72.3 -46.7 PHI 59 59 A 43 ASN N A 43 ASN CA A 43 ASN C A 44 ARG N 1.0 -52.1 -31.9 PSI 60 60 A 43 ASN C A 44 ARG N A 44 ARG CA A 44 ARG C 1.0 -75.1 -52.7 PHI 61 61 A 44 ARG N A 44 ARG CA A 44 ARG C A 45 LEU N 1.0 -58.4 -25.8 PSI 62 62 A 44 ARG C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -75.3 -53.9 PHI 63 63 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 PHE N 1.0 -64.5 -19.1 PSI 64 64 A 45 LEU C A 46 PHE N A 46 PHE CA A 46 PHE C 1.0 -94.6 -49.0 PHI 65 65 A 46 PHE N A 46 PHE CA A 46 PHE C A 47 GLU N 1.0 -59.3 12.9 PSI 66 66 A 46 PHE C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -121.7 -51.5 PHI 67 67 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 ILE N 1.0 -62.9 26.1 PSI 68 68 A 47 GLU C A 48 ILE N A 48 ILE CA A 48 ILE C 1.0 -121.0 -59.6 PHI 69 69 A 48 ILE N A 48 ILE CA A 48 ILE C A 49 GLU N 1.0 107.6 140.0 PSI 70 70 A 48 ILE C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -109.5 -36.7 PHI 71 71 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 GLY N 1.0 108.2 154.0 PSI 72 72 A 50 GLY C A 51 VAL N A 51 VAL CA A 51 VAL C 1.0 -103.6 -55.0 PHI 73 73 A 51 VAL N A 51 VAL CA A 51 VAL C A 52 LYS N 1.0 115.0 145.0 PSI 74 74 A 51 VAL C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -129.4 -68.2 PHI 75 75 A 52 LYS N A 52 LYS CA A 52 LYS C A 53 SER N 1.0 -54.7 -18.7 PSI 76 76 A 52 LYS C A 53 SER N A 53 SER CA A 53 SER C 1.0 -188.5 -118.7 PHI 77 77 A 53 SER N A 53 SER CA A 53 SER C A 54 ILE N 1.0 139.5 171.3 PSI 78 78 A 53 SER C A 54 ILE N A 54 ILE CA A 54 ILE C 1.0 -167.8 -105.8 PHI 79 79 A 54 ILE N A 54 ILE CA A 54 ILE C A 55 PHE N 1.0 105.6 150.6 PSI 80 80 A 54 ILE C A 55 PHE N A 55 PHE CA A 55 PHE C 1.0 -152.9 -85.9 PHI 81 81 A 55 PHE N A 55 PHE CA A 55 PHE C A 56 TYR N 1.0 111.8 144.8 PSI 82 82 A 55 PHE C A 56 TYR N A 56 TYR CA A 56 TYR C 1.0 -139.7 -93.7 PHI 83 83 A 56 TYR N A 56 TYR CA A 56 TYR C A 57 VAL N 1.0 98.5 143.5 PSI 84 84 A 56 TYR C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -162.5 -90.5 PHI 85 85 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 LEU N 1.0 93.0 194.6 PSI 86 86 A 59 ASP C A 60 PHE N A 60 PHE CA A 60 PHE C 1.0 -172.9 -93.1 PHI 87 87 A 60 PHE N A 60 PHE CA A 60 PHE C A 61 ILE N 1.0 143.7 171.5 PSI 88 88 A 60 PHE C A 61 ILE N A 61 ILE CA A 61 ILE C 1.0 -143.3 -103.7 PHI 89 89 A 61 ILE N A 61 ILE CA A 61 ILE C A 62 SER N 1.0 122.3 169.1 PSI 90 90 A 61 ILE C A 62 SER N A 62 SER CA A 62 SER C 1.0 -133.5 -80.3 PHI 91 91 A 62 SER N A 62 SER CA A 62 SER C A 63 ILE N 1.0 106.5 138.3 PSI 92 92 A 62 SER C A 63 ILE N A 63 ILE CA A 63 ILE C 1.0 -148.5 -101.5 PHI 93 93 A 63 ILE N A 63 ILE CA A 63 ILE C A 64 ASP N 1.0 112.1 148.9 PSI 94 94 A 63 ILE C A 64 ASP N A 64 ASP CA A 64 ASP C 1.0 -131.7 -82.3 PHI 95 95 A 64 ASP N A 64 ASP CA A 64 ASP C A 65 LYS N 1.0 97.9 156.3 PSI 96 96 A 64 ASP C A 65 LYS N A 65 LYS CA A 65 LYS C 1.0 -169.9 -99.1 PHI 97 97 A 65 LYS N A 65 LYS CA A 65 LYS C A 66 GLU N 1.0 131.4 187.4 PSI 98 98 A 65 LYS C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -95.7 -47.9 PHI 99 99 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 ASP N 1.0 132.1 173.9 PSI 100 100 A 66 GLU C A 67 ASP N A 67 ASP CA A 67 ASP C 1.0 -67.9 -47.5 PHI 101 101 A 67 ASP N A 67 ASP CA A 67 ASP C A 68 ASN N 1.0 -50.5 -12.9 PSI 102 102 A 67 ASP C A 68 ASN N A 68 ASN CA A 68 ASN C 1.0 -104.5 -64.1 PHI 103 103 A 68 ASN N A 68 ASN CA A 68 ASN C A 69 ALA N 1.0 -22.2 15.0 PSI 104 104 A 68 ASN C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -131.9 -54.1 PHI 105 105 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 ASN N 1.0 73.9 173.5 PSI 106 106 A 69 ALA C A 70 ASN N A 70 ASN CA A 70 ASN C 1.0 -149.2 -76.2 PHI 107 107 A 70 ASN N A 70 ASN CA A 70 ASN C A 71 TRP N 1.0 92.0 181.6 PSI 108 108 A 70 ASN C A 71 TRP N A 71 TRP CA A 71 TRP C 1.0 -68.7 -45.5 PHI 109 109 A 71 TRP N A 71 TRP CA A 71 TRP C A 72 ASN N 1.0 -61.6 -17.8 PSI 110 110 A 71 TRP C A 72 ASN N A 72 ASN CA A 72 ASN C 1.0 -78.6 -44.2 PHI 111 111 A 72 ASN N A 72 ASN CA A 72 ASN C A 73 GLU N 1.0 -59.8 -9.8 PSI 112 112 A 72 ASN C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -104.7 -53.1 PHI 113 113 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 LEU N 1.0 -61.3 -16.3 PSI 114 114 A 73 GLU C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -76.1 -56.1 PHI 115 115 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 LEU N 1.0 -58.1 -25.3 PSI 116 116 A 74 LEU C A 75 LEU N A 75 LEU CA A 75 LEU C 1.0 -76.9 -40.1 PHI 117 117 A 75 LEU N A 75 LEU CA A 75 LEU C A 76 PRO N 1.0 -69.2 -26.0 PSI 118 118 A 76 PRO C A 77 GLN N A 77 GLN CA A 77 GLN C 1.0 -74.1 -54.1 PHI 119 119 A 77 GLN N A 77 GLN CA A 77 GLN C A 78 ILE N 1.0 -53.8 -27.0 PSI 120 120 A 77 GLN C A 78 ILE N A 78 ILE CA A 78 ILE C 1.0 -74.9 -54.9 PHI 121 121 A 78 ILE N A 78 ILE CA A 78 ILE C A 79 GLU N 1.0 -56.4 -36.4 PSI 122 122 A 78 ILE C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -75.6 -52.0 PHI 123 123 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 ASN N 1.0 -54.6 -31.2 PSI 124 124 A 79 GLU C A 80 ASN N A 80 ASN CA A 80 ASN C 1.0 -78.9 -55.3 PHI 125 125 A 80 ASN N A 80 ASN CA A 80 ASN C A 81 THR N 1.0 -61.2 -22.6 PSI 126 126 A 80 ASN C A 81 THR N A 81 THR CA A 81 THR C 1.0 -89.2 -51.6 PHI 127 127 A 81 THR N A 81 THR CA A 81 THR C A 82 PHE N 1.0 -54.2 -34.2 PSI 128 128 A 81 THR C A 82 PHE N A 82 PHE CA A 82 PHE C 1.0 -76.2 -52.4 PHI 129 129 A 82 PHE N A 82 PHE CA A 82 PHE C A 83 ALA N 1.0 -54.0 -34.0 PSI 130 130 A 82 PHE C A 83 ALA N A 83 ALA CA A 83 ALA C 1.0 -88.6 -41.4 PHI 131 131 A 83 ALA N A 83 ALA CA A 83 ALA C A 84 LYS N 1.0 -68.3 -11.7 PSI 132 132 A 83 ALA C A 84 LYS N A 84 LYS CA A 84 LYS C 1.0 -105.0 -42.8 PHI 133 133 A 84 LYS N A 84 LYS CA A 84 LYS C A 85 SER N 1.0 -78.6 37.2 PSI 134 134 A 84 LYS C A 85 SER N A 85 SER CA A 85 SER C 1.0 -110.0 -30.0 PHI 135 135 A 85 SER N A 85 SER CA A 85 SER C A 86 ASN N 1.0 -80.0 40.0 PSI stop_ save_