data_nef_c19042_2mpe 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 GLY start . false 2 A 2 ALA middle . . 3 A 3 MET middle . . 4 A 4 GLY middle . false 5 A 5 MET middle . . 6 A 6 SER middle . . 7 A 7 PRO middle . false 8 A 8 ASP middle . . 9 A 9 THR middle . . 10 A 10 ALA middle . . 11 A 11 ARG middle . . 12 A 12 ARG middle . . 13 A 13 PHE middle . . 14 A 14 ASP middle . . 15 A 15 THR middle . . 16 A 16 GLU middle . . 17 A 17 PHE middle . . 18 A 18 ALA middle . . 19 A 19 PRO middle . false 20 A 20 ARG middle . . 21 A 21 ILE middle . . 22 A 22 ALA middle . . 23 A 23 ARG middle . . 24 A 24 ALA middle . . 25 A 25 ILE middle . . 26 A 26 ALA middle . . 27 A 27 ASP middle . . 28 A 28 LEU middle . . 29 A 29 LEU middle . . 30 A 30 ASN middle . . 31 A 31 HIS middle . . 32 A 32 ARG middle . . 33 A 33 ALA middle . . 34 A 34 HIS middle . . 35 A 35 THR middle . . 36 A 36 ASP middle . . 37 A 37 VAL middle . . 38 A 38 VAL middle . . 39 A 39 GLY middle . false 40 A 40 TYR middle . . 41 A 41 GLY middle . false 42 A 42 GLY middle . false 43 A 43 HIS middle . . 44 A 44 GLY middle . false 45 A 45 HIS middle . . 46 A 46 PRO middle . false 47 A 47 THR middle . . 48 A 48 GLN middle . . 49 A 49 VAL middle . . 50 A 50 ARG middle . . 51 A 51 ILE middle . . 52 A 52 VAL middle . . 53 A 53 ALA middle . . 54 A 54 PRO middle . false 55 A 55 HIS middle . . 56 A 56 ALA middle . . 57 A 57 GLU middle . . 58 A 58 HIS middle . . 59 A 59 VAL middle . . 60 A 60 ARG middle . . 61 A 61 GLY middle . false 62 A 62 TYR middle . . 63 A 63 ALA middle . . 64 A 64 HIS middle . . 65 A 65 PRO middle . false 66 A 66 LEU middle . . 67 A 67 ASN middle . . 68 A 68 LEU middle . . 69 A 69 ALA middle . . 70 A 70 LEU middle . . 71 A 71 THR middle . . 72 A 72 TRP middle . . 73 A 73 ASN middle . . 74 A 74 THR middle . . 75 A 75 ASP middle . . 76 A 76 GLU middle . . 77 A 77 ILE middle . . 78 A 78 GLU middle . . 79 A 79 ARG middle . . 80 A 80 LEU middle . . 81 A 81 MET middle . . 82 A 82 GLU middle . . 83 A 83 ALA middle . . 84 A 84 ASP middle . . 85 A 85 GLY middle . false 86 A 86 ALA middle . . 87 A 87 ALA middle . . 88 A 88 ARG middle . . 89 A 89 PHE middle . . 90 A 90 GLU middle . . 91 A 91 ARG middle . . 92 A 92 TYR middle . . 93 A 93 LEU middle . . 94 A 94 ALA middle . . 95 A 95 ALA middle . . 96 A 96 LEU middle . . 97 A 97 PRO middle . false 98 A 98 ARG middle . . 99 A 99 LYS middle . . 100 A 100 LEU middle . . 101 A 101 ALA middle . . 102 A 102 ALA middle . . 103 A 103 TRP middle . . 104 A 104 GLU middle . . 105 A 105 ASN middle . . 106 A 106 ALA middle . . 107 A 107 ARG middle . . 108 A 108 GLY middle . false 109 A 109 VAL middle . . 110 A 110 ASP middle . . 111 A 111 PHE middle . . 112 A 112 GLY middle . false 113 A 113 SER middle . . 114 A 114 ARG middle . . 115 A 115 THR middle . . 116 A 116 GLN middle . . 117 A 117 ALA middle . . 118 A 118 ASP middle . . 119 A 119 ALA middle . . 120 A 120 LEU middle . . 121 A 121 VAL middle . . 122 A 122 LEU middle . . 123 A 123 LEU middle . . 124 A 124 GLY middle . false 125 A 125 GLY middle . false 126 A 126 LEU middle . . 127 A 127 ASP middle . . 128 A 128 PHE middle . . 129 A 129 GLU middle . . 130 A 130 ALA end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ALA HA H 1 4.315 0.002 A 2 ALA HB% H 1 1.367 0.002 A 2 ALA C C 13 177.938 0.000 A 2 ALA CA C 13 52.875 0.025 A 2 ALA CB C 13 19.281 0.061 A 3 MET H H 1 8.545 0.007 A 3 MET HA H 1 4.491 0.010 A 3 MET HBy H 1 2.015 0.026 A 3 MET HBx H 1 2.005 0.021 A 3 MET HGx H 1 2.518 0.022 A 3 MET HGy H 1 2.559 0.023 A 3 MET C C 13 176.576 0.000 A 3 MET CA C 13 55.204 0.042 A 3 MET CB C 13 32.715 0.046 A 3 MET N N 15 119.579 0.017 A 4 GLY H H 1 8.239 0.016 A 4 GLY HAx H 1 4.069 0.008 A 4 GLY HAy H 1 4.071 0.006 A 4 GLY C C 13 173.073 0.000 A 4 GLY CA C 13 44.746 0.067 A 4 GLY N N 15 110.277 0.064 A 5 MET H H 1 8.129 0.016 A 5 MET HA H 1 4.447 0.032 A 5 MET HBx H 1 1.863 0.008 A 5 MET HBy H 1 1.865 0.009 A 5 MET HGy H 1 2.210 0.005 A 5 MET HGx H 1 2.204 0.009 A 5 MET C C 13 175.692 0.000 A 5 MET CA C 13 55.053 0.068 A 5 MET CB C 13 34.745 0.053 A 5 MET N N 15 120.405 0.017 A 6 SER H H 1 9.097 0.004 A 6 SER HA H 1 4.745 0.037 A 6 SER HBx H 1 4.048 0.007 A 6 SER HBy H 1 4.265 0.010 A 6 SER CA C 13 56.490 0.058 A 6 SER CB C 13 62.837 0.133 A 6 SER N N 15 122.463 0.042 A 7 PRO HA H 1 4.261 0.010 A 7 PRO HBx H 1 2.038 0.007 A 7 PRO HBy H 1 2.463 0.008 A 7 PRO HDy H 1 4.009 0.015 A 7 PRO HDx H 1 4.008 0.013 A 7 PRO HGy H 1 2.209 0.012 A 7 PRO HGx H 1 2.207 0.011 A 7 PRO C C 13 179.406 0.000 A 7 PRO CA C 13 65.396 0.048 A 7 PRO CB C 13 31.972 0.077 A 8 ASP H H 1 8.282 0.005 A 8 ASP HA H 1 4.462 0.006 A 8 ASP HBx H 1 2.625 0.015 A 8 ASP HBy H 1 3.110 0.006 A 8 ASP C C 13 178.221 0.000 A 8 ASP CA C 13 57.225 0.053 A 8 ASP CB C 13 40.812 0.033 A 8 ASP N N 15 117.774 0.049 A 9 THR H H 1 7.549 0.010 A 9 THR HA H 1 3.915 0.020 A 9 THR HB H 1 4.214 0.014 A 9 THR HG1 H 1 1.831 0.008 A 9 THR HG2% H 1 1.147 0.008 A 9 THR C C 13 175.557 0.000 A 9 THR CA C 13 66.236 0.052 A 9 THR CB C 13 68.097 0.013 A 9 THR N N 15 120.231 0.031 A 10 ALA H H 1 7.976 0.008 A 10 ALA HA H 1 3.838 0.014 A 10 ALA HB% H 1 0.996 0.009 A 10 ALA C C 13 178.773 0.000 A 10 ALA CA C 13 55.549 0.045 A 10 ALA CB C 13 18.147 0.012 A 10 ALA N N 15 124.148 0.036 A 11 ARG H H 1 8.002 0.003 A 11 ARG HA H 1 4.201 0.005 A 11 ARG HBx H 1 1.798 0.016 A 11 ARG HBy H 1 2.006 0.006 A 11 ARG HDx H 1 3.286 0.017 A 11 ARG HDy H 1 3.292 0.015 A 11 ARG HGx H 1 1.608 0.014 A 11 ARG HGy H 1 1.608 0.014 A 11 ARG C C 13 180.497 0.000 A 11 ARG CA C 13 59.353 0.044 A 11 ARG CB C 13 29.869 0.051 A 11 ARG N N 15 117.384 0.062 A 12 ARG H H 1 8.203 0.011 A 12 ARG HA H 1 3.994 0.012 A 12 ARG HBx H 1 1.926 0.011 A 12 ARG HBy H 1 2.050 0.016 A 12 ARG HDx H 1 3.273 0.010 A 12 ARG HDy H 1 3.274 0.011 A 12 ARG HGx H 1 1.552 0.014 A 12 ARG HGy H 1 1.552 0.014 A 12 ARG C C 13 179.570 0.000 A 12 ARG CA C 13 60.790 0.050 A 12 ARG CB C 13 30.282 0.067 A 12 ARG N N 15 121.124 0.018 A 13 PHE H H 1 9.046 0.015 A 13 PHE HA H 1 4.328 0.011 A 13 PHE HBx H 1 2.843 0.005 A 13 PHE HBy H 1 3.270 0.006 A 13 PHE HDx H 1 7.036 0.010 A 13 PHE HDy H 1 7.036 0.010 A 13 PHE HEx H 1 7.021 0.011 A 13 PHE HEy H 1 7.021 0.011 A 13 PHE HZ H 1 6.481 0.008 A 13 PHE C C 13 177.566 0.000 A 13 PHE CA C 13 63.615 0.043 A 13 PHE CB C 13 38.743 0.065 A 13 PHE N N 15 122.809 0.042 A 14 ASP H H 1 8.820 0.006 A 14 ASP HA H 1 4.288 0.010 A 14 ASP HBy H 1 2.915 0.017 A 14 ASP HBx H 1 2.543 0.004 A 14 ASP C C 13 177.487 0.000 A 14 ASP CA C 13 58.112 0.069 A 14 ASP CB C 13 40.886 0.016 A 14 ASP N N 15 119.890 0.022 A 15 THR H H 1 7.825 0.007 A 15 THR HA H 1 4.388 0.011 A 15 THR HB H 1 4.199 0.006 A 15 THR HG2% H 1 1.310 0.005 A 15 THR C C 13 175.940 0.000 A 15 THR CA C 13 63.328 0.105 A 15 THR CB C 13 70.950 0.051 A 15 THR N N 15 106.555 0.031 A 16 GLU H H 1 8.509 0.006 A 16 GLU HA H 1 4.336 0.012 A 16 GLU HBy H 1 1.807 0.011 A 16 GLU HBx H 1 1.518 0.012 A 16 GLU HGy H 1 2.096 0.012 A 16 GLU HGx H 1 1.809 0.009 A 16 GLU C C 13 176.769 0.000 A 16 GLU CA C 13 57.092 0.071 A 16 GLU CB C 13 31.143 0.127 A 16 GLU N N 15 120.763 0.026 A 17 PHE H H 1 6.927 0.005 A 17 PHE HA H 1 4.151 0.010 A 17 PHE HBy H 1 2.498 0.009 A 17 PHE HBx H 1 2.030 0.008 A 17 PHE HDx H 1 5.791 0.015 A 17 PHE HDy H 1 5.791 0.015 A 17 PHE HEx H 1 6.755 0.013 A 17 PHE HEy H 1 6.755 0.013 A 17 PHE HZ H 1 7.023 0.010 A 17 PHE C C 13 176.349 0.000 A 17 PHE CA C 13 59.882 0.029 A 17 PHE CB C 13 41.195 0.075 A 17 PHE N N 15 116.452 0.021 A 18 ALA H H 1 8.779 0.004 A 18 ALA HA H 1 3.650 0.010 A 18 ALA HB% H 1 0.974 0.011 A 18 ALA CA C 13 56.998 0.085 A 18 ALA CB C 13 15.617 0.050 A 18 ALA N N 15 123.967 0.032 A 19 PRO HA H 1 4.162 0.016 A 19 PRO HBx H 1 1.737 0.048 A 19 PRO HBy H 1 2.392 0.043 A 19 PRO HGx H 1 1.846 0.011 A 19 PRO HGy H 1 2.029 0.008 A 19 PRO C C 13 179.404 0.000 A 19 PRO CA C 13 66.077 0.065 A 19 PRO CB C 13 31.041 0.151 A 20 ARG H H 1 7.059 0.005 A 20 ARG HA H 1 4.116 0.008 A 20 ARG HBx H 1 1.953 0.015 A 20 ARG HBy H 1 1.954 0.015 A 20 ARG HDy H 1 3.298 0.015 A 20 ARG HDx H 1 3.294 0.015 A 20 ARG HGx H 1 1.707 0.018 A 20 ARG HGy H 1 1.709 0.018 A 20 ARG C C 13 176.771 0.000 A 20 ARG CA C 13 59.712 0.016 A 20 ARG CB C 13 30.731 0.002 A 20 ARG N N 15 115.113 0.059 A 21 ILE H H 1 7.877 0.004 A 21 ILE HA H 1 3.645 0.015 A 21 ILE HB H 1 2.207 0.010 A 21 ILE HD1% H 1 0.732 0.018 A 21 ILE HG1x H 1 1.101 0.010 A 21 ILE HG1y H 1 1.102 0.010 A 21 ILE HG2% H 1 1.349 0.012 A 21 ILE C C 13 177.399 0.000 A 21 ILE CA C 13 65.982 0.059 A 21 ILE CB C 13 38.689 0.068 A 21 ILE N N 15 122.111 0.031 A 22 ALA H H 1 8.231 0.004 A 22 ALA HA H 1 3.795 0.004 A 22 ALA HB% H 1 1.424 0.011 A 22 ALA C C 13 181.078 0.000 A 22 ALA CA C 13 56.225 0.041 A 22 ALA CB C 13 17.523 0.049 A 22 ALA N N 15 120.862 0.034 A 23 ARG H H 1 8.375 0.004 A 23 ARG HA H 1 4.105 0.006 A 23 ARG HBy H 1 1.940 0.012 A 23 ARG HBx H 1 1.939 0.012 A 23 ARG HDx H 1 3.236 0.005 A 23 ARG HDy H 1 3.236 0.004 A 23 ARG HGy H 1 1.688 0.017 A 23 ARG HGx H 1 1.674 0.002 A 23 ARG C C 13 177.643 0.000 A 23 ARG CA C 13 59.233 0.134 A 23 ARG CB C 13 30.412 0.078 A 23 ARG N N 15 120.658 0.040 A 24 ALA H H 1 7.881 0.004 A 24 ALA HA H 1 4.246 0.012 A 24 ALA HB% H 1 1.509 0.017 A 24 ALA C C 13 181.290 0.000 A 24 ALA CA C 13 54.970 0.072 A 24 ALA CB C 13 18.902 0.020 A 24 ALA N N 15 122.165 0.021 A 25 ILE H H 1 8.300 0.005 A 25 ILE HA H 1 3.519 0.012 A 25 ILE HB H 1 1.801 0.010 A 25 ILE HD1% H 1 0.977 0.009 A 25 ILE HG1x H 1 2.201 0.018 A 25 ILE HG1y H 1 2.205 0.016 A 25 ILE HG2% H 1 0.770 0.015 A 25 ILE C C 13 179.972 0.000 A 25 ILE CA C 13 66.205 0.059 A 25 ILE CB C 13 37.996 0.049 A 25 ILE N N 15 118.117 0.015 A 26 ALA H H 1 7.881 0.006 A 26 ALA HA H 1 3.668 0.011 A 26 ALA HB% H 1 1.505 0.015 A 26 ALA C C 13 180.130 0.000 A 26 ALA CA C 13 56.154 0.050 A 26 ALA CB C 13 17.902 0.077 A 26 ALA N N 15 122.137 0.039 A 27 ASP H H 1 8.153 0.006 A 27 ASP HA H 1 4.163 0.021 A 27 ASP HBx H 1 2.730 0.029 A 27 ASP HBy H 1 2.818 0.024 A 27 ASP C C 13 180.529 0.000 A 27 ASP CA C 13 57.546 0.090 A 27 ASP CB C 13 40.436 0.044 A 27 ASP N N 15 118.074 0.163 A 28 LEU H H 1 7.923 0.010 A 28 LEU HA H 1 4.100 0.010 A 28 LEU HBy H 1 1.868 0.007 A 28 LEU HBx H 1 1.400 0.014 A 28 LEU HDx% H 1 0.712 0.014 A 28 LEU HDy% H 1 0.862 0.006 A 28 LEU HG H 1 1.877 0.010 A 28 LEU C C 13 178.584 0.000 A 28 LEU CA C 13 57.559 0.041 A 28 LEU CB C 13 41.467 0.115 A 28 LEU N N 15 123.422 0.036 A 29 LEU H H 1 7.606 0.005 A 29 LEU HA H 1 4.438 0.009 A 29 LEU HBy H 1 1.669 0.036 A 29 LEU HBx H 1 1.623 0.052 A 29 LEU HDx% H 1 0.610 0.019 A 29 LEU HDy% H 1 0.606 0.021 A 29 LEU HG H 1 1.721 0.008 A 29 LEU C C 13 177.139 0.000 A 29 LEU CA C 13 53.852 0.126 A 29 LEU CB C 13 40.399 0.055 A 29 LEU N N 15 117.384 0.029 A 30 ASN H H 1 8.230 0.005 A 30 ASN HA H 1 4.446 0.003 A 30 ASN HBy H 1 3.110 0.008 A 30 ASN HBx H 1 2.731 0.006 A 30 ASN HD21 H 1 7.531 0.015 A 30 ASN HD22 H 1 6.916 0.002 A 30 ASN C C 13 174.139 0.000 A 30 ASN CA C 13 54.468 0.082 A 30 ASN CB C 13 37.354 0.047 A 30 ASN N N 15 119.659 0.090 A 31 HIS H H 1 8.710 0.005 A 31 HIS HA H 1 3.965 0.003 A 31 HIS HBy H 1 3.488 0.008 A 31 HIS HBx H 1 3.300 0.006 A 31 HIS HD2 H 1 7.140 0.013 A 31 HIS HE1 H 1 8.138 0.021 A 31 HIS C C 13 175.427 0.000 A 31 HIS CA C 13 58.935 0.073 A 31 HIS CB C 13 27.226 0.031 A 31 HIS N N 15 108.077 0.070 A 32 ARG H H 1 7.681 0.005 A 32 ARG HA H 1 4.443 0.005 A 32 ARG HBx H 1 1.860 0.010 A 32 ARG HBy H 1 2.130 0.005 A 32 ARG HDx H 1 3.300 0.013 A 32 ARG HDy H 1 3.301 0.013 A 32 ARG HGx H 1 1.731 0.017 A 32 ARG HGy H 1 1.881 0.014 A 32 ARG C C 13 174.918 0.000 A 32 ARG CA C 13 56.115 0.077 A 32 ARG CB C 13 29.873 0.069 A 32 ARG N N 15 117.004 0.044 A 33 ALA H H 1 7.450 0.007 A 33 ALA HA H 1 4.629 0.006 A 33 ALA HB% H 1 1.144 0.015 A 33 ALA C C 13 174.924 0.000 A 33 ALA CA C 13 50.549 0.123 A 33 ALA CB C 13 22.667 0.074 A 33 ALA N N 15 117.400 0.034 A 34 HIS H H 1 8.951 0.007 A 34 HIS HA H 1 4.909 0.015 A 34 HIS HBx H 1 3.118 0.017 A 34 HIS HBy H 1 3.157 0.012 A 34 HIS HD2 H 1 6.879 0.015 A 34 HIS HE1 H 1 7.947 0.028 A 34 HIS C C 13 175.186 0.000 A 34 HIS CA C 13 55.495 0.059 A 34 HIS CB C 13 31.758 0.064 A 34 HIS N N 15 121.617 0.034 A 35 THR H H 1 8.256 0.006 A 35 THR HA H 1 5.821 0.006 A 35 THR HB H 1 4.129 0.008 A 35 THR HG2% H 1 1.143 0.017 A 35 THR C C 13 172.891 0.000 A 35 THR CA C 13 57.649 0.036 A 35 THR CB C 13 71.728 0.035 A 35 THR N N 15 116.043 0.038 A 36 ASP H H 1 8.412 0.005 A 36 ASP HA H 1 4.640 0.009 A 36 ASP HBx H 1 2.733 0.017 A 36 ASP HBy H 1 2.758 0.015 A 36 ASP C C 13 173.349 0.000 A 36 ASP CA C 13 52.828 0.039 A 36 ASP CB C 13 43.316 0.034 A 36 ASP N N 15 118.713 0.032 A 37 VAL H H 1 8.154 0.002 A 37 VAL HA H 1 5.053 0.004 A 37 VAL HB H 1 1.955 0.013 A 37 VAL HGx% H 1 0.795 0.012 A 37 VAL HGy% H 1 0.790 0.010 A 37 VAL C C 13 176.445 0.000 A 37 VAL CA C 13 60.855 0.040 A 37 VAL CB C 13 34.867 0.059 A 37 VAL N N 15 118.616 0.024 A 38 VAL H H 1 9.483 0.005 A 38 VAL HA H 1 4.145 0.012 A 38 VAL HB H 1 2.001 0.017 A 38 VAL HGx% H 1 0.834 0.016 A 38 VAL HGy% H 1 1.026 0.009 A 38 VAL C C 13 175.644 0.000 A 38 VAL CA C 13 61.992 0.108 A 38 VAL CB C 13 32.553 0.071 A 38 VAL N N 15 132.034 0.020 A 39 GLY H H 1 8.540 0.007 A 39 GLY HAx H 1 3.771 0.013 A 39 GLY HAy H 1 4.100 0.019 A 39 GLY C C 13 173.262 0.000 A 39 GLY CA C 13 44.798 0.113 A 39 GLY N N 15 112.531 0.054 A 40 TYR H H 1 10.442 0.005 A 40 TYR HA H 1 4.376 0.008 A 40 TYR HBx H 1 2.825 0.011 A 40 TYR HBy H 1 3.540 0.028 A 40 TYR HDx H 1 7.315 0.005 A 40 TYR HDy H 1 7.315 0.005 A 40 TYR HEx H 1 6.841 0.005 A 40 TYR HEy H 1 6.841 0.005 A 40 TYR C C 13 177.818 0.000 A 40 TYR CA C 13 60.221 0.035 A 40 TYR CB C 13 39.100 0.055 A 40 TYR N N 15 126.686 0.035 A 41 GLY H H 1 8.777 0.012 A 41 GLY HAy H 1 4.492 0.004 A 41 GLY HAx H 1 3.410 0.007 A 41 GLY CA C 13 45.318 0.053 A 41 GLY N N 15 116.243 0.058 A 42 GLY HAy H 1 4.401 0.006 A 42 GLY HAx H 1 3.467 0.011 A 42 GLY CA C 13 43.262 0.074 A 43 HIS H H 1 8.585 0.004 A 43 HIS HA H 1 4.400 0.004 A 43 HIS HBx H 1 3.046 0.019 A 43 HIS HBy H 1 3.046 0.019 A 43 HIS HD2 H 1 7.047 0.003 A 43 HIS HE1 H 1 7.847 0.014 A 43 HIS CA C 13 58.799 0.023 A 43 HIS CB C 13 30.261 0.024 A 43 HIS N N 15 119.023 0.039 A 44 GLY HAy H 1 3.802 0.005 A 44 GLY HAx H 1 3.492 0.006 A 44 GLY CA C 13 44.537 0.060 A 45 HIS H H 1 8.265 0.006 A 45 HIS HA H 1 4.925 0.006 A 45 HIS HBx H 1 2.426 0.010 A 45 HIS HBy H 1 2.999 0.007 A 45 HIS HD2 H 1 6.757 0.011 A 45 HIS HE1 H 1 8.072 0.016 A 45 HIS CA C 13 53.303 0.044 A 45 HIS CB C 13 29.427 0.065 A 45 HIS N N 15 119.554 0.061 A 46 PRO HA H 1 4.808 0.029 A 46 PRO HBy H 1 2.672 0.027 A 46 PRO HBx H 1 2.300 0.009 A 46 PRO HGx H 1 1.914 0.025 A 46 PRO HGy H 1 2.008 0.010 A 46 PRO C C 13 177.429 0.000 A 46 PRO CA C 13 62.970 0.055 A 46 PRO CB C 13 32.653 0.078 A 47 THR H H 1 8.971 0.008 A 47 THR HA H 1 4.427 0.011 A 47 THR HB H 1 4.416 0.003 A 47 THR HG2% H 1 1.569 0.019 A 47 THR C C 13 174.640 0.000 A 47 THR CA C 13 65.636 0.140 A 47 THR CB C 13 69.763 0.021 A 47 THR N N 15 121.569 0.033 A 48 GLN H H 1 9.175 0.004 A 48 GLN HA H 1 5.827 0.017 A 48 GLN HBy H 1 1.859 0.010 A 48 GLN HBx H 1 1.851 0.005 A 48 GLN HE21 H 1 7.342 0.004 A 48 GLN HE22 H 1 6.573 0.003 A 48 GLN HGy H 1 2.551 0.010 A 48 GLN HGx H 1 2.548 0.010 A 48 GLN C C 13 177.282 0.000 A 48 GLN CA C 13 53.234 0.034 A 48 GLN CB C 13 33.123 0.072 A 48 GLN N N 15 123.175 0.021 A 49 VAL H H 1 9.074 0.005 A 49 VAL HA H 1 5.080 0.020 A 49 VAL HB H 1 2.365 0.025 A 49 VAL HGx% H 1 1.021 0.012 A 49 VAL HGy% H 1 1.325 0.017 A 49 VAL C C 13 175.332 0.000 A 49 VAL CA C 13 62.218 0.038 A 49 VAL CB C 13 33.462 0.000 A 49 VAL N N 15 122.847 0.029 A 50 ARG H H 1 8.968 0.005 A 50 ARG HA H 1 5.388 0.018 A 50 ARG HBx H 1 2.065 0.007 A 50 ARG HBy H 1 2.070 0.009 A 50 ARG HD2 H 1 3.175 0.019 A 50 ARG HD3 H 1 3.175 0.019 A 50 ARG HE H 1 8.208 0.004 A 50 ARG HGx H 1 1.664 0.019 A 50 ARG HGy H 1 1.665 0.015 A 50 ARG C C 13 175.772 0.000 A 50 ARG CA C 13 54.484 0.089 A 50 ARG CB C 13 32.569 0.043 A 50 ARG N N 15 127.147 0.020 A 50 ARG NE N 15 85.324 0.026 A 51 ILE H H 1 8.453 0.026 A 51 ILE HA H 1 4.731 0.011 A 51 ILE HB H 1 1.898 0.012 A 51 ILE HD1% H 1 0.727 0.013 A 51 ILE HG1y H 1 1.455 0.006 A 51 ILE HG1x H 1 0.998 0.013 A 51 ILE HG2% H 1 0.731 0.010 A 51 ILE C C 13 175.041 0.000 A 51 ILE CA C 13 60.798 0.067 A 51 ILE CB C 13 40.839 0.106 A 51 ILE N N 15 120.822 0.057 A 52 VAL H H 1 8.996 0.009 A 52 VAL HA H 1 4.947 0.007 A 52 VAL HB H 1 2.026 0.007 A 52 VAL HGx% H 1 1.003 0.011 A 52 VAL HGy% H 1 0.981 0.009 A 52 VAL C C 13 175.425 0.000 A 52 VAL CA C 13 60.106 0.026 A 52 VAL CB C 13 36.555 0.075 A 52 VAL N N 15 123.690 0.024 A 53 ALA H H 1 8.611 0.005 A 53 ALA HA H 1 5.035 0.019 A 53 ALA HB% H 1 1.638 0.011 A 53 ALA CA C 13 49.541 0.047 A 53 ALA CB C 13 20.969 0.058 A 53 ALA N N 15 129.060 0.032 A 54 PRO HA H 1 4.538 0.009 A 54 PRO HBx H 1 1.936 0.013 A 54 PRO HBy H 1 2.298 0.002 A 54 PRO HDy H 1 3.823 0.004 A 54 PRO HDx H 1 3.822 0.005 A 54 PRO HGx H 1 1.916 0.032 A 54 PRO HGy H 1 2.009 0.012 A 54 PRO C C 13 176.678 0.000 A 54 PRO CA C 13 62.700 0.029 A 54 PRO CB C 13 32.223 0.080 A 55 HIS H H 1 8.344 0.013 A 55 HIS HA H 1 4.567 0.015 A 55 HIS HBy H 1 3.130 0.014 A 55 HIS HBx H 1 3.128 0.014 A 55 HIS HD2 H 1 7.081 0.007 A 55 HIS HE1 H 1 7.887 0.013 A 55 HIS C C 13 175.072 0.000 A 55 HIS CA C 13 56.839 0.026 A 55 HIS CB C 13 30.914 0.149 A 55 HIS N N 15 119.405 0.105 A 56 ALA H H 1 8.327 0.005 A 56 ALA HA H 1 4.410 0.006 A 56 ALA HB% H 1 1.352 0.005 A 56 ALA C C 13 176.884 0.000 A 56 ALA CA C 13 51.893 0.066 A 56 ALA CB C 13 20.562 0.045 A 56 ALA N N 15 126.820 0.072 A 57 GLU H H 1 8.423 0.004 A 57 GLU HA H 1 4.207 0.005 A 57 GLU HBx H 1 1.895 0.017 A 57 GLU HBy H 1 1.928 0.020 A 57 GLU HGx H 1 2.207 0.015 A 57 GLU HGy H 1 2.227 0.017 A 57 GLU C C 13 176.231 0.000 A 57 GLU CA C 13 56.621 0.060 A 57 GLU CB C 13 30.197 0.067 A 57 GLU N N 15 120.897 0.021 A 58 HIS H H 1 8.362 0.014 A 58 HIS HA H 1 4.612 0.011 A 58 HIS HBx H 1 3.123 0.010 A 58 HIS HBy H 1 3.123 0.010 A 58 HIS HD2 H 1 6.991 0.009 A 58 HIS HE1 H 1 7.787 0.014 A 58 HIS C C 13 175.110 0.000 A 58 HIS CA C 13 56.280 0.075 A 58 HIS CB C 13 30.395 0.193 A 58 HIS N N 15 120.180 0.082 A 59 VAL H H 1 8.054 0.004 A 59 VAL HA H 1 4.132 0.005 A 59 VAL HB H 1 2.033 0.005 A 59 VAL HGx% H 1 0.844 0.013 A 59 VAL HGy% H 1 0.846 0.006 A 59 VAL C C 13 175.539 0.000 A 59 VAL CA C 13 62.176 0.104 A 59 VAL CB C 13 32.891 0.023 A 59 VAL N N 15 121.444 0.032 A 60 ARG H H 1 8.248 0.008 A 60 ARG HA H 1 4.375 0.008 A 60 ARG HBx H 1 1.731 0.017 A 60 ARG HBy H 1 1.776 0.029 A 60 ARG HDy H 1 3.155 0.012 A 60 ARG HDx H 1 3.152 0.010 A 60 ARG HGy H 1 1.535 0.008 A 60 ARG HGx H 1 1.525 0.029 A 60 ARG C C 13 175.552 0.000 A 60 ARG CA C 13 55.563 0.061 A 60 ARG CB C 13 30.927 0.140 A 60 ARG N N 15 123.489 0.031 A 61 GLY H H 1 8.183 0.004 A 61 GLY HAy H 1 3.863 0.005 A 61 GLY HAx H 1 3.673 0.012 A 61 GLY C C 13 174.421 0.000 A 61 GLY CA C 13 45.207 0.073 A 61 GLY N N 15 110.793 0.069 A 62 TYR H H 1 8.466 0.002 A 62 TYR HA H 1 4.558 0.012 A 62 TYR HBx H 1 2.585 0.016 A 62 TYR HBy H 1 3.055 0.012 A 62 TYR HDx H 1 7.037 0.005 A 62 TYR HDy H 1 7.037 0.005 A 62 TYR HEx H 1 6.628 0.004 A 62 TYR HEy H 1 6.628 0.004 A 62 TYR C C 13 175.749 0.000 A 62 TYR CA C 13 57.208 0.147 A 62 TYR CB C 13 39.200 0.057 A 62 TYR N N 15 122.183 0.031 A 63 ALA H H 1 8.301 0.004 A 63 ALA HA H 1 4.051 0.010 A 63 ALA HB% H 1 1.218 0.020 A 63 ALA C C 13 177.333 0.000 A 63 ALA CA C 13 54.099 0.034 A 63 ALA CB C 13 20.185 0.033 A 63 ALA N N 15 120.132 0.032 A 64 HIS H H 1 8.095 0.003 A 64 HIS HA H 1 4.972 0.008 A 64 HIS HBy H 1 3.284 0.007 A 64 HIS HBx H 1 2.788 0.014 A 64 HIS HD2 H 1 6.823 0.017 A 64 HIS HE1 H 1 7.836 0.018 A 64 HIS CA C 13 53.795 0.028 A 64 HIS CB C 13 31.208 0.064 A 64 HIS N N 15 116.463 0.055 A 65 PRO HA H 1 4.712 0.010 A 65 PRO HBx H 1 2.201 0.015 A 65 PRO HBy H 1 2.203 0.015 A 65 PRO HGx H 1 1.970 0.007 A 65 PRO HGy H 1 1.980 0.011 A 65 PRO C C 13 176.164 0.000 A 65 PRO CA C 13 62.018 0.097 A 65 PRO CB C 13 32.223 0.068 A 66 LEU H H 1 6.906 0.008 A 66 LEU HA H 1 3.934 0.008 A 66 LEU HBy H 1 1.440 0.020 A 66 LEU HBx H 1 1.074 0.016 A 66 LEU HDx% H 1 0.794 0.025 A 66 LEU HDy% H 1 0.686 0.018 A 66 LEU HG H 1 1.360 0.016 A 66 LEU C C 13 176.382 0.000 A 66 LEU CA C 13 55.410 0.063 A 66 LEU CB C 13 43.030 0.076 A 66 LEU N N 15 119.248 0.028 A 67 ASN H H 1 9.012 0.008 A 67 ASN HA H 1 5.214 0.008 A 67 ASN HBx H 1 2.867 0.010 A 67 ASN HBy H 1 3.129 0.016 A 67 ASN HD21 H 1 7.533 0.003 A 67 ASN HD22 H 1 6.825 0.007 A 67 ASN C C 13 173.370 0.000 A 67 ASN CA C 13 53.667 0.051 A 67 ASN CB C 13 36.647 0.085 A 67 ASN N N 15 123.615 0.035 A 68 LEU H H 1 9.368 0.005 A 68 LEU HA H 1 5.599 0.006 A 68 LEU HBy H 1 1.544 0.018 A 68 LEU HBx H 1 1.532 0.008 A 68 LEU HDx% H 1 0.951 0.012 A 68 LEU HDy% H 1 0.821 0.014 A 68 LEU HG H 1 1.696 0.021 A 68 LEU C C 13 176.713 0.000 A 68 LEU CA C 13 54.307 0.040 A 68 LEU CB C 13 46.485 0.047 A 68 LEU N N 15 127.112 0.022 A 69 ALA H H 1 8.589 0.004 A 69 ALA HA H 1 5.099 0.006 A 69 ALA HB% H 1 1.180 0.007 A 69 ALA C C 13 173.794 0.000 A 69 ALA CA C 13 51.421 0.073 A 69 ALA CB C 13 21.576 0.058 A 69 ALA N N 15 126.435 0.030 A 70 LEU H H 1 9.161 0.004 A 70 LEU HA H 1 4.856 0.009 A 70 LEU HBy H 1 1.599 0.014 A 70 LEU HBx H 1 0.800 0.023 A 70 LEU HDx% H 1 0.432 0.008 A 70 LEU HDy% H 1 0.746 0.014 A 70 LEU HG H 1 1.375 0.014 A 70 LEU C C 13 175.870 0.000 A 70 LEU CA C 13 53.978 0.033 A 70 LEU CB C 13 43.623 0.133 A 70 LEU N N 15 127.753 0.024 A 71 THR H H 1 8.028 0.004 A 71 THR HA H 1 4.846 0.011 A 71 THR HB H 1 4.275 0.005 A 71 THR HG2% H 1 1.171 0.010 A 71 THR C C 13 171.916 0.000 A 71 THR CA C 13 60.108 0.031 A 71 THR CB C 13 72.300 0.127 A 71 THR N N 15 110.440 0.032 A 72 TRP H H 1 10.020 0.008 A 72 TRP HA H 1 4.635 0.010 A 72 TRP HBx H 1 2.595 0.015 A 72 TRP HBy H 1 2.898 0.008 A 72 TRP HD1 H 1 5.061 0.011 A 72 TRP HE1 H 1 8.300 0.003 A 72 TRP HE3 H 1 8.004 0.010 A 72 TRP HH2 H 1 6.959 0.008 A 72 TRP HZ2 H 1 7.692 0.012 A 72 TRP HZ3 H 1 6.963 0.016 A 72 TRP C C 13 176.928 0.000 A 72 TRP CA C 13 58.282 0.111 A 72 TRP CB C 13 33.127 0.041 A 72 TRP N N 15 121.677 0.031 A 73 ASN H H 1 8.945 0.004 A 73 ASN HA H 1 4.620 0.015 A 73 ASN HBy H 1 2.604 0.015 A 73 ASN HBx H 1 2.576 0.010 A 73 ASN HD21 H 1 7.855 0.002 A 73 ASN HD22 H 1 7.213 0.005 A 73 ASN C C 13 176.658 0.000 A 73 ASN CA C 13 53.132 0.082 A 73 ASN CB C 13 39.617 0.047 A 73 ASN N N 15 122.374 0.046 A 74 THR H H 1 9.065 0.010 A 74 THR HA H 1 3.689 0.006 A 74 THR HB H 1 4.190 0.008 A 74 THR HG2% H 1 1.272 0.013 A 74 THR C C 13 174.955 0.000 A 74 THR CA C 13 66.872 0.100 A 74 THR CB C 13 68.966 0.050 A 74 THR N N 15 124.193 0.022 A 75 ASP H H 1 8.298 0.006 A 75 ASP HA H 1 4.357 0.005 A 75 ASP HBy H 1 2.752 0.026 A 75 ASP HBx H 1 2.713 0.014 A 75 ASP C C 13 179.372 0.000 A 75 ASP CA C 13 57.320 0.065 A 75 ASP CB C 13 39.698 0.050 A 75 ASP N N 15 120.877 0.026 A 76 GLU H H 1 7.650 0.009 A 76 GLU HA H 1 4.091 0.020 A 76 GLU HBx H 1 2.490 0.012 A 76 GLU HBy H 1 2.490 0.012 A 76 GLU HGy H 1 2.412 0.018 A 76 GLU HGx H 1 2.411 0.022 A 76 GLU C C 13 179.017 0.000 A 76 GLU CA C 13 58.430 0.135 A 76 GLU CB C 13 28.445 0.120 A 76 GLU N N 15 119.528 0.016 A 77 ILE H H 1 7.898 0.010 A 77 ILE HA H 1 3.157 0.010 A 77 ILE HB H 1 1.660 0.010 A 77 ILE HD1% H 1 0.378 0.013 A 77 ILE HG1y H 1 1.536 0.016 A 77 ILE HG2% H 1 0.265 0.018 A 77 ILE C C 13 178.024 0.000 A 77 ILE CA C 13 66.106 0.157 A 77 ILE CB C 13 37.972 0.049 A 77 ILE N N 15 122.852 0.059 A 78 GLU H H 1 8.119 0.007 A 78 GLU HA H 1 3.846 0.015 A 78 GLU HBy H 1 2.076 0.015 A 78 GLU HBx H 1 2.038 0.021 A 78 GLU HGx H 1 2.231 0.016 A 78 GLU HGy H 1 2.456 0.020 A 78 GLU C C 13 180.607 0.000 A 78 GLU CA C 13 59.822 0.088 A 78 GLU CB C 13 28.839 0.121 A 78 GLU N N 15 117.879 0.040 A 79 ARG H H 1 7.544 0.004 A 79 ARG HA H 1 4.085 0.013 A 79 ARG HBx H 1 1.928 0.007 A 79 ARG HBy H 1 1.928 0.008 A 79 ARG HDy H 1 3.226 0.012 A 79 ARG HDx H 1 3.224 0.013 A 79 ARG HGx H 1 1.649 0.021 A 79 ARG HGy H 1 1.650 0.024 A 79 ARG C C 13 179.398 0.000 A 79 ARG CA C 13 58.897 0.089 A 79 ARG CB C 13 30.323 0.116 A 79 ARG N N 15 119.003 0.027 A 80 LEU H H 1 7.447 0.010 A 80 LEU HA H 1 3.749 0.028 A 80 LEU HBy H 1 1.336 0.035 A 80 LEU HBx H 1 0.640 0.008 A 80 LEU HDx% H 1 0.039 0.022 A 80 LEU HDy% H 1 1.268 0.017 A 80 LEU C C 13 176.232 0.000 A 80 LEU CA C 13 56.534 0.050 A 80 LEU CB C 13 40.914 0.152 A 80 LEU N N 15 119.647 0.023 A 81 MET H H 1 7.271 0.005 A 81 MET HA H 1 4.462 0.009 A 81 MET HBy H 1 2.162 0.023 A 81 MET HBx H 1 2.161 0.023 A 81 MET HGx H 1 2.537 0.023 A 81 MET HGy H 1 3.101 0.008 A 81 MET C C 13 178.311 0.000 A 81 MET CA C 13 53.477 0.042 A 81 MET CB C 13 31.303 0.045 A 81 MET N N 15 111.357 0.036 A 82 GLU H H 1 7.086 0.004 A 82 GLU HA H 1 4.408 0.006 A 82 GLU HBy H 1 2.358 0.009 A 82 GLU HBx H 1 2.063 0.016 A 82 GLU HGy H 1 2.479 0.006 A 82 GLU HGx H 1 2.339 0.014 A 82 GLU C C 13 177.885 0.000 A 82 GLU CA C 13 55.561 0.069 A 82 GLU CB C 13 30.944 0.093 A 82 GLU N N 15 118.575 0.048 A 83 ALA H H 1 8.958 0.005 A 83 ALA HA H 1 4.171 0.013 A 83 ALA HB% H 1 1.524 0.010 A 83 ALA C C 13 179.310 0.000 A 83 ALA CA C 13 55.890 0.071 A 83 ALA CB C 13 18.229 0.054 A 83 ALA N N 15 124.645 0.063 A 84 ASP H H 1 8.519 0.012 A 84 ASP HA H 1 4.817 0.005 A 84 ASP HBx H 1 2.726 0.003 A 84 ASP HBy H 1 2.940 0.011 A 84 ASP C C 13 177.207 0.000 A 84 ASP CA C 13 54.068 0.041 A 84 ASP CB C 13 39.860 0.085 A 84 ASP N N 15 116.525 0.041 A 85 GLY H H 1 8.342 0.017 A 85 GLY HAx H 1 3.686 0.015 A 85 GLY HAy H 1 4.372 0.009 A 85 GLY C C 13 175.603 0.000 A 85 GLY CA C 13 47.532 0.072 A 85 GLY N N 15 110.327 0.036 A 86 ALA H H 1 8.378 0.004 A 86 ALA HA H 1 4.280 0.004 A 86 ALA HB% H 1 1.601 0.008 A 86 ALA C C 13 180.709 0.000 A 86 ALA CA C 13 55.883 0.224 A 86 ALA CB C 13 17.766 0.032 A 86 ALA N N 15 124.069 0.025 A 87 ALA H H 1 8.188 0.003 A 87 ALA HA H 1 4.238 0.019 A 87 ALA HB% H 1 1.514 0.009 A 87 ALA C C 13 181.080 0.000 A 87 ALA CA C 13 54.882 0.051 A 87 ALA CB C 13 18.154 0.093 A 87 ALA N N 15 121.754 0.024 A 88 ARG H H 1 7.876 0.003 A 88 ARG HA H 1 3.956 0.008 A 88 ARG HBx H 1 1.985 0.020 A 88 ARG HBy H 1 1.988 0.020 A 88 ARG HDx H 1 3.215 0.020 A 88 ARG HDy H 1 3.215 0.020 A 88 ARG HGx H 1 1.394 0.024 A 88 ARG HGy H 1 1.414 0.032 A 88 ARG C C 13 179.714 0.000 A 88 ARG CA C 13 60.089 0.041 A 88 ARG CB C 13 29.798 0.121 A 88 ARG N N 15 120.293 0.035 A 89 PHE H H 1 9.113 0.021 A 89 PHE HA H 1 4.229 0.015 A 89 PHE HBy H 1 3.388 0.014 A 89 PHE HBx H 1 3.233 0.014 A 89 PHE HDx H 1 7.095 0.012 A 89 PHE HDy H 1 7.095 0.012 A 89 PHE HEx H 1 7.147 0.009 A 89 PHE HEy H 1 7.147 0.009 A 89 PHE HZ H 1 7.503 0.008 A 89 PHE C C 13 176.859 0.000 A 89 PHE CA C 13 61.895 0.048 A 89 PHE CB C 13 38.900 0.126 A 89 PHE N N 15 122.483 0.237 A 90 GLU H H 1 8.263 0.005 A 90 GLU HA H 1 3.910 0.005 A 90 GLU HBy H 1 2.187 0.012 A 90 GLU HBx H 1 2.184 0.010 A 90 GLU HGx H 1 2.554 0.005 A 90 GLU HGy H 1 2.554 0.005 A 90 GLU C C 13 180.539 0.000 A 90 GLU CA C 13 59.584 0.033 A 90 GLU CB C 13 28.836 0.126 A 90 GLU N N 15 118.548 0.017 A 91 ARG H H 1 7.780 0.003 A 91 ARG HA H 1 4.070 0.007 A 91 ARG HBx H 1 1.821 0.008 A 91 ARG HBy H 1 2.022 0.026 A 91 ARG HDx H 1 3.286 0.045 A 91 ARG HDy H 1 3.353 0.017 A 91 ARG HGy H 1 1.563 0.022 A 91 ARG HGx H 1 1.562 0.021 A 91 ARG C C 13 178.639 0.000 A 91 ARG CA C 13 59.636 0.027 A 91 ARG CB C 13 30.370 0.109 A 91 ARG N N 15 119.506 0.020 A 92 TYR H H 1 8.057 0.004 A 92 TYR HA H 1 3.943 0.014 A 92 TYR HBx H 1 3.253 0.016 A 92 TYR HBy H 1 3.319 0.038 A 92 TYR HDx H 1 6.879 0.014 A 92 TYR HDy H 1 6.879 0.014 A 92 TYR HEx H 1 7.085 0.022 A 92 TYR HEy H 1 7.085 0.022 A 92 TYR C C 13 177.490 0.000 A 92 TYR CA C 13 62.106 0.087 A 92 TYR CB C 13 37.788 0.127 A 92 TYR N N 15 123.217 0.029 A 93 LEU H H 1 8.116 0.008 A 93 LEU HA H 1 3.609 0.043 A 93 LEU HBy H 1 1.753 0.007 A 93 LEU HBx H 1 1.210 0.011 A 93 LEU HDx% H 1 1.132 0.017 A 93 LEU HDy% H 1 1.126 0.017 A 93 LEU HG H 1 0.695 0.012 A 93 LEU C C 13 180.757 0.000 A 93 LEU CA C 13 57.399 0.187 A 93 LEU CB C 13 41.293 0.104 A 93 LEU N N 15 117.088 0.053 A 94 ALA H H 1 7.374 0.028 A 94 ALA HA H 1 4.090 0.009 A 94 ALA HB% H 1 1.471 0.005 A 94 ALA C C 13 178.061 0.000 A 94 ALA CA C 13 53.741 0.079 A 94 ALA CB C 13 18.135 0.062 A 94 ALA N N 15 119.558 0.154 A 95 ALA H H 1 7.463 0.008 A 95 ALA HA H 1 4.437 0.005 A 95 ALA HB% H 1 1.478 0.011 A 95 ALA C C 13 178.065 0.000 A 95 ALA CA C 13 51.549 0.027 A 95 ALA CB C 13 19.635 0.048 A 95 ALA N N 15 119.924 0.041 A 96 LEU H H 1 7.205 0.008 A 96 LEU HA H 1 3.711 0.023 A 96 LEU HBy H 1 1.859 0.020 A 96 LEU HBx H 1 0.960 0.023 A 96 LEU HDx% H 1 0.659 0.014 A 96 LEU HDy% H 1 1.645 0.027 A 96 LEU HG H 1 0.922 0.042 A 96 LEU CA C 13 59.263 0.054 A 96 LEU CB C 13 40.679 0.099 A 96 LEU N N 15 121.517 0.017 A 97 PRO HA H 1 4.040 0.010 A 97 PRO HBx H 1 2.340 0.008 A 97 PRO HBy H 1 2.340 0.008 A 97 PRO HGx H 1 1.812 0.012 A 97 PRO HGy H 1 1.813 0.012 A 97 PRO C C 13 179.687 0.000 A 97 PRO CA C 13 67.229 0.093 A 97 PRO CB C 13 30.930 0.037 A 98 ARG H H 1 7.345 0.005 A 98 ARG HA H 1 4.087 0.008 A 98 ARG HBx H 1 1.895 0.042 A 98 ARG HBy H 1 1.972 0.023 A 98 ARG HDx H 1 3.238 0.008 A 98 ARG HDy H 1 3.242 0.011 A 98 ARG HGx H 1 1.665 0.018 A 98 ARG HGy H 1 1.665 0.017 A 98 ARG C C 13 179.476 0.000 A 98 ARG CA C 13 58.389 0.073 A 98 ARG CB C 13 29.980 0.158 A 98 ARG N N 15 115.813 0.047 A 99 LYS H H 1 7.554 0.004 A 99 LYS HA H 1 3.563 0.012 A 99 LYS HBy H 1 1.368 0.042 A 99 LYS HBx H 1 0.649 0.007 A 99 LYS C C 13 176.972 0.000 A 99 LYS CA C 13 57.102 0.120 A 99 LYS CB C 13 29.770 0.029 A 99 LYS N N 15 121.947 0.042 A 100 LEU H H 1 8.004 0.003 A 100 LEU HA H 1 3.717 0.008 A 100 LEU HBx H 1 1.380 0.015 A 100 LEU HBy H 1 1.382 0.012 A 100 LEU HDx% H 1 0.299 0.016 A 100 LEU HDy% H 1 1.389 0.009 A 100 LEU HG H 1 0.464 0.020 A 100 LEU C C 13 179.119 0.000 A 100 LEU CA C 13 59.137 0.137 A 100 LEU CB C 13 40.841 0.138 A 100 LEU N N 15 117.567 0.022 A 101 ALA H H 1 6.938 0.007 A 101 ALA HA H 1 4.410 0.011 A 101 ALA HB% H 1 1.472 0.016 A 101 ALA C C 13 180.428 0.000 A 101 ALA CA C 13 54.693 0.083 A 101 ALA CB C 13 18.074 0.059 A 101 ALA N N 15 118.195 0.027 A 102 ALA H H 1 7.471 0.004 A 102 ALA HA H 1 4.265 0.012 A 102 ALA HB% H 1 1.457 0.009 A 102 ALA C C 13 181.816 0.000 A 102 ALA CA C 13 54.816 0.042 A 102 ALA CB C 13 17.711 0.046 A 102 ALA N N 15 122.065 0.035 A 103 TRP H H 1 8.653 0.004 A 103 TRP HA H 1 4.657 0.014 A 103 TRP HBx H 1 2.974 0.020 A 103 TRP HBy H 1 3.694 0.015 A 103 TRP HD1 H 1 7.075 0.009 A 103 TRP HE1 H 1 9.965 0.002 A 103 TRP HE3 H 1 7.340 0.011 A 103 TRP HH2 H 1 6.991 0.011 A 103 TRP HZ2 H 1 7.411 0.019 A 103 TRP HZ3 H 1 6.684 0.014 A 103 TRP C C 13 178.834 0.000 A 103 TRP CA C 13 58.993 0.124 A 103 TRP CB C 13 28.316 0.091 A 103 TRP N N 15 122.999 0.011 A 104 GLU H H 1 8.391 0.004 A 104 GLU HA H 1 4.217 0.015 A 104 GLU HBx H 1 2.255 0.020 A 104 GLU HBy H 1 2.551 0.009 A 104 GLU HGx H 1 2.134 0.013 A 104 GLU HGy H 1 3.122 0.012 A 104 GLU C C 13 179.324 0.000 A 104 GLU CA C 13 60.143 0.052 A 104 GLU CB C 13 30.779 0.090 A 104 GLU N N 15 118.884 0.033 A 105 ASN H H 1 7.526 0.006 A 105 ASN HA H 1 4.658 0.004 A 105 ASN HBy H 1 2.928 0.009 A 105 ASN HBx H 1 2.926 0.005 A 105 ASN HD21 H 1 7.046 0.003 A 105 ASN HD22 H 1 7.734 0.014 A 105 ASN C C 13 177.128 0.000 A 105 ASN CA C 13 55.550 0.075 A 105 ASN CB C 13 39.477 0.057 A 105 ASN N N 15 115.032 0.041 A 106 ALA H H 1 8.239 0.005 A 106 ALA HA H 1 4.441 0.009 A 106 ALA HB% H 1 1.639 0.008 A 106 ALA C C 13 179.799 0.000 A 106 ALA CA C 13 54.178 0.055 A 106 ALA CB C 13 20.661 0.126 A 106 ALA N N 15 120.330 0.028 A 107 ARG H H 1 8.132 0.005 A 107 ARG HA H 1 4.734 0.009 A 107 ARG HBx H 1 1.777 0.021 A 107 ARG HBy H 1 2.050 0.006 A 107 ARG HDy H 1 3.319 0.005 A 107 ARG HDx H 1 3.149 0.007 A 107 ARG HGx H 1 1.551 0.029 A 107 ARG HGy H 1 1.554 0.030 A 107 ARG C C 13 176.465 0.000 A 107 ARG CA C 13 52.743 0.102 A 107 ARG CB C 13 30.571 0.100 A 107 ARG N N 15 112.943 0.051 A 108 GLY H H 1 7.926 0.004 A 108 GLY HAx H 1 3.652 0.006 A 108 GLY HAy H 1 3.838 0.008 A 108 GLY C C 13 172.518 0.000 A 108 GLY CA C 13 47.600 0.036 A 108 GLY N N 15 110.612 0.029 A 109 VAL H H 1 7.381 0.004 A 109 VAL HA H 1 4.148 0.039 A 109 VAL HB H 1 1.431 0.013 A 109 VAL HGx% H 1 0.218 0.013 A 109 VAL HGy% H 1 0.566 0.010 A 109 VAL C C 13 173.765 0.000 A 109 VAL CA C 13 60.069 0.086 A 109 VAL CB C 13 35.202 0.156 A 109 VAL N N 15 117.800 0.016 A 110 ASP H H 1 9.013 0.003 A 110 ASP HA H 1 5.110 0.025 A 110 ASP HBx H 1 2.455 0.005 A 110 ASP HBy H 1 2.891 0.014 A 110 ASP C C 13 176.395 0.000 A 110 ASP CA C 13 52.696 0.114 A 110 ASP CB C 13 42.559 0.104 A 110 ASP N N 15 125.188 0.046 A 111 PHE H H 1 10.221 0.002 A 111 PHE HA H 1 4.159 0.012 A 111 PHE HBx H 1 3.015 0.016 A 111 PHE HBy H 1 3.138 0.018 A 111 PHE HDx H 1 7.368 0.012 A 111 PHE HDy H 1 7.368 0.012 A 111 PHE HEx H 1 7.415 0.017 A 111 PHE HEy H 1 7.415 0.017 A 111 PHE HZ H 1 7.179 0.007 A 111 PHE C C 13 177.497 0.000 A 111 PHE CA C 13 62.868 0.116 A 111 PHE CB C 13 38.068 0.045 A 111 PHE N N 15 126.450 0.039 A 112 GLY H H 1 9.025 0.004 A 112 GLY HAx H 1 3.995 0.007 A 112 GLY HAy H 1 4.001 0.013 A 112 GLY C C 13 175.362 0.000 A 112 GLY CA C 13 47.296 0.093 A 112 GLY N N 15 109.356 0.030 A 113 SER H H 1 7.706 0.013 A 113 SER HA H 1 4.373 0.003 A 113 SER HBx H 1 3.728 0.013 A 113 SER HBy H 1 4.002 0.006 A 113 SER C C 13 174.307 0.000 A 113 SER CA C 13 58.547 0.112 A 113 SER CB C 13 64.079 0.045 A 113 SER N N 15 114.364 0.018 A 114 ARG H H 1 8.029 0.003 A 114 ARG HA H 1 3.683 0.012 A 114 ARG HBx H 1 1.619 0.017 A 114 ARG HBy H 1 1.766 0.014 A 114 ARG HDx H 1 3.484 0.008 A 114 ARG HDy H 1 3.484 0.008 A 114 ARG HGy H 1 1.778 0.016 A 114 ARG HGx H 1 1.628 0.008 A 114 ARG C C 13 175.790 0.000 A 114 ARG CA C 13 57.998 0.106 A 114 ARG CB C 13 25.853 0.001 A 114 ARG N N 15 119.396 0.033 A 115 THR H H 1 8.221 0.004 A 115 THR HA H 1 5.456 0.008 A 115 THR HB H 1 4.083 0.007 A 115 THR HG1 H 1 4.716 0.010 A 115 THR HG2% H 1 1.039 0.012 A 115 THR C C 13 172.133 0.000 A 115 THR CA C 13 59.537 0.080 A 115 THR CB C 13 74.012 0.190 A 115 THR N N 15 110.246 0.055 A 116 GLN H H 1 9.351 0.004 A 116 GLN HA H 1 4.873 0.039 A 116 GLN HBy H 1 2.744 0.016 A 116 GLN HBx H 1 2.212 0.024 A 116 GLN HE21 H 1 7.505 0.013 A 116 GLN HE22 H 1 6.913 0.011 A 116 GLN HGx H 1 1.737 0.014 A 116 GLN HGy H 1 1.737 0.016 A 116 GLN C C 13 174.956 0.000 A 116 GLN CA C 13 54.354 0.069 A 116 GLN CB C 13 31.206 0.150 A 116 GLN N N 15 114.987 0.035 A 117 ALA H H 1 8.066 0.008 A 117 ALA HA H 1 4.231 0.014 A 117 ALA HB% H 1 1.304 0.013 A 117 ALA C C 13 177.492 0.000 A 117 ALA CA C 13 54.515 0.106 A 117 ALA CB C 13 19.230 0.050 A 117 ALA N N 15 122.241 0.044 A 118 ASP H H 1 7.357 0.007 A 118 ASP HA H 1 4.794 0.011 A 118 ASP HBy H 1 2.583 0.006 A 118 ASP HBx H 1 2.097 0.014 A 118 ASP C C 13 175.171 0.000 A 118 ASP CA C 13 51.988 0.036 A 118 ASP CB C 13 44.478 0.046 A 118 ASP N N 15 116.223 0.153 A 119 ALA H H 1 8.349 0.003 A 119 ALA HA H 1 3.349 0.008 A 119 ALA HB% H 1 1.122 0.006 A 119 ALA C C 13 177.668 0.000 A 119 ALA CA C 13 55.218 0.097 A 119 ALA CB C 13 18.048 0.107 A 119 ALA N N 15 122.313 0.031 A 120 LEU H H 1 7.573 0.003 A 120 LEU HA H 1 4.566 0.016 A 120 LEU HBx H 1 1.309 0.009 A 120 LEU HBy H 1 1.469 0.011 A 120 LEU HDx% H 1 0.700 0.029 A 120 LEU HDy% H 1 0.749 0.010 A 120 LEU HG H 1 1.164 0.012 A 120 LEU C C 13 174.582 0.000 A 120 LEU CA C 13 54.428 0.100 A 120 LEU CB C 13 44.644 0.053 A 120 LEU N N 15 118.004 0.021 A 121 VAL H H 1 7.920 0.003 A 121 VAL HA H 1 4.024 0.007 A 121 VAL HB H 1 1.771 0.013 A 121 VAL HGx% H 1 0.606 0.012 A 121 VAL HGy% H 1 0.770 0.023 A 121 VAL C C 13 172.837 0.000 A 121 VAL CA C 13 61.755 0.049 A 121 VAL CB C 13 33.751 0.077 A 121 VAL N N 15 127.128 0.036 A 122 LEU H H 1 8.533 0.016 A 122 LEU HA H 1 4.893 0.010 A 122 LEU HBx H 1 1.350 0.015 A 122 LEU HBy H 1 1.530 0.009 A 122 LEU HDx% H 1 0.751 0.004 A 122 LEU HDy% H 1 0.751 0.004 A 122 LEU HG H 1 1.322 0.017 A 122 LEU C C 13 175.835 0.000 A 122 LEU CA C 13 53.367 0.036 A 122 LEU CB C 13 42.584 0.093 A 122 LEU N N 15 130.057 0.028 A 123 LEU H H 1 8.863 0.007 A 123 LEU HA H 1 4.306 0.005 A 123 LEU HBx H 1 0.889 0.026 A 123 LEU HBy H 1 1.304 0.013 A 123 LEU HDy% H 1 0.233 0.006 A 123 LEU HG H 1 0.990 0.019 A 123 LEU C C 13 173.026 0.000 A 123 LEU CA C 13 53.420 0.070 A 123 LEU CB C 13 41.486 0.158 A 123 LEU N N 15 132.052 0.059 A 124 GLY H H 1 7.551 0.005 A 124 GLY HAx H 1 3.225 0.006 A 124 GLY HAy H 1 4.908 0.018 A 124 GLY C C 13 175.545 0.000 A 124 GLY CA C 13 43.196 0.036 A 124 GLY N N 15 107.189 0.032 A 125 GLY H H 1 7.520 0.010 A 125 GLY HAx H 1 3.536 0.011 A 125 GLY HAy H 1 3.702 0.011 A 125 GLY C C 13 175.142 0.000 A 125 GLY CA C 13 46.476 0.113 A 125 GLY N N 15 107.533 0.040 A 126 LEU H H 1 8.227 0.006 A 126 LEU HA H 1 3.991 0.007 A 126 LEU HBy H 1 1.192 0.036 A 126 LEU HBx H 1 0.430 0.014 A 126 LEU HDx% H 1 0.646 0.012 A 126 LEU HDy% H 1 0.643 0.012 A 126 LEU C C 13 175.319 0.000 A 126 LEU CA C 13 55.231 0.064 A 126 LEU CB C 13 41.093 0.062 A 126 LEU N N 15 119.140 0.039 A 127 ASP H H 1 7.353 0.006 A 127 ASP HA H 1 4.627 0.010 A 127 ASP HBx H 1 2.616 0.008 A 127 ASP HBy H 1 3.091 0.005 A 127 ASP C C 13 175.019 0.000 A 127 ASP CA C 13 51.098 0.052 A 127 ASP CB C 13 43.549 0.057 A 127 ASP N N 15 116.753 0.094 A 128 PHE H H 1 8.255 0.005 A 128 PHE HA H 1 4.484 0.008 A 128 PHE HBx H 1 2.490 0.009 A 128 PHE HBy H 1 3.057 0.014 A 128 PHE HDx H 1 6.416 0.015 A 128 PHE HDy H 1 6.416 0.015 A 128 PHE HEx H 1 6.274 0.019 A 128 PHE HEy H 1 6.274 0.019 A 128 PHE HZ H 1 6.006 0.021 A 128 PHE C C 13 175.545 0.000 A 128 PHE CA C 13 57.403 0.043 A 128 PHE CB C 13 37.935 0.041 A 128 PHE N N 15 115.435 0.035 A 129 GLU H H 1 8.088 0.006 A 129 GLU HA H 1 4.101 0.006 A 129 GLU HBy H 1 2.388 0.008 A 129 GLU HBx H 1 2.034 0.035 A 129 GLU HGy H 1 2.141 0.051 A 129 GLU HGx H 1 2.140 0.051 A 129 GLU C C 13 175.934 0.000 A 129 GLU CA C 13 56.492 0.068 A 129 GLU CB C 13 30.021 0.049 A 129 GLU N N 15 120.462 0.037 A 130 ALA H H 1 7.887 0.005 A 130 ALA HA H 1 4.096 0.005 A 130 ALA HB% H 1 1.331 0.015 A 130 ALA CA C 13 53.690 0.045 A 130 ALA CB C 13 20.319 0.039 A 130 ALA N N 15 131.114 0.040 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 123 LEU HA A 123 LEU HD11 1.0 1.983 6.749 2 1 A 123 LEU HA A 126 LEU HDx% 1.0 1.983 6.749 3 2 A 123 LEU HD11 A 123 LEU HBy 1.0 1.829 3.829 4 2 A 126 LEU HDx% A 123 LEU HBy 1.0 1.829 3.829 5 3 A 122 LEU HBx A 122 LEU HDy% 1.0 1.774 3.538 6 3 A 122 LEU HBx A 122 LEU HDx% 1.0 1.774 3.538 7 4 A 120 LEU HG A 120 LEU HDx% 1.0 0.974 6.000 8 4 A 120 LEU HG A 120 LEU HDy% 1.0 0.974 6.000 9 5 A 116 GLN HBx A 116 GLN HGx 1.0 1.750 3.420 10 5 A 116 GLN HBx A 116 GLN HGy 1.0 1.750 3.420 11 6 A 114 ARG HGx A 114 ARG HDy 1.0 1.584 2.768 12 6 A 114 ARG HDx A 114 ARG HGx 1.0 1.584 2.768 13 7 A 111 PHE HDx A 66 LEU HDy% 1.0 1.982 5.260 14 7 A 111 PHE HDy A 29 LEU HDx% 1.0 1.982 5.260 15 7 A 111 PHE HDx A 29 LEU HDx% 1.0 1.982 5.260 16 7 A 66 LEU HDy% A 111 PHE HDy 1.0 1.982 5.260 17 8 A 111 PHE HEx A 51 ILE HD1% 1.0 1.995 6.393 18 8 A 111 PHE HEx A 51 ILE HG2% 1.0 1.995 6.393 19 8 A 111 PHE HEy A 51 ILE HD1% 1.0 1.995 6.393 20 8 A 51 ILE HG2% A 111 PHE HEy 1.0 1.995 6.393 21 9 A 107 ARG HA A 107 ARG HGy 1.0 1.961 4.919 22 9 A 107 ARG HA A 107 ARG HGx 1.0 1.961 4.919 23 10 A 107 ARG HGy A 107 ARG HDx 1.0 1.946 4.740 24 10 A 107 ARG HGx A 107 ARG HDx 1.0 1.946 4.740 25 11 A 107 ARG HGy A 107 ARG HDy 1.0 1.694 3.178 26 11 A 107 ARG HGx A 107 ARG HDy 1.0 1.694 3.178 27 12 A 106 ALA HA A 106 ALA HB% 1.0 1.671 3.087 28 12 A 29 LEU HA A 29 LEU HBy 1.0 1.671 3.087 29 13 A 102 ALA HA A 105 ASN HBx 1.0 1.851 3.965 30 13 A 105 ASN HBy A 102 ALA HA 1.0 1.851 3.965 31 14 A 105 ASN HBy A 105 ASN HA 1.0 1.806 3.698 32 14 A 105 ASN HBx A 105 ASN HA 1.0 1.806 3.698 33 15 A 105 ASN HBy A 102 ALA HB% 1.0 1.997 6.343 34 15 A 105 ASN HBx A 102 ALA HB% 1.0 1.997 6.343 35 16 A 111 PHE HDx A 104 GLU HGx 1.0 1.916 4.442 36 16 A 111 PHE HDy A 104 GLU HGx 1.0 1.916 4.442 37 16 A 111 PHE HEy A 104 GLU HGx 1.0 1.916 4.442 38 16 A 111 PHE HEx A 104 GLU HGx 1.0 1.916 4.442 39 17 A 100 LEU HA A 100 LEU HBx 1.0 1.739 3.371 40 17 A 100 LEU HA A 100 LEU HBy 1.0 1.739 3.371 41 18 A 100 LEU HBy A 100 LEU HDx% 1.0 1.706 3.228 42 18 A 100 LEU HDx% A 100 LEU HDy% 1.0 1.706 3.228 43 19 A 98 ARG HA A 98 ARG HDy 1.0 1.925 4.521 44 19 A 98 ARG HA A 98 ARG HDx 1.0 1.925 4.521 45 20 A 97 PRO HA A 97 PRO HGx 1.0 1.984 6.736 46 20 A 97 PRO HA A 97 PRO HGy 1.0 1.984 6.736 47 21 A 100 LEU HBx A 97 PRO HA 1.0 1.967 5.007 48 21 A 100 LEU HBy A 97 PRO HA 1.0 1.967 5.007 49 22 A 97 PRO HGx A 97 PRO HBx 1.0 1.718 3.280 50 22 A 97 PRO HGy A 97 PRO HBy 1.0 1.718 3.280 51 22 A 97 PRO HGx A 97 PRO HBy 1.0 1.718 3.280 52 23 A 97 PRO HA A 97 PRO HBx 1.0 1.950 4.788 53 23 A 97 PRO HA A 97 PRO HBy 1.0 1.950 4.788 54 24 A 96 LEU HA A 96 LEU HG 1.0 1.989 6.579 55 24 A 96 LEU HA A 96 LEU HBx 1.0 1.989 6.579 56 25 A 92 TYR HA A 92 TYR HBy 1.0 2.000 6.088 57 25 A 92 TYR HA A 92 TYR HBx 1.0 2.000 6.088 58 26 A 91 ARG HA A 91 ARG HGx 1.0 1.983 5.285 59 26 A 91 ARG HGy A 91 ARG HA 1.0 1.983 5.285 60 27 A 90 GLU HA A 90 GLU HBx 1.0 1.883 4.183 61 27 A 90 GLU HA A 90 GLU HBy 1.0 1.883 4.183 62 28 A 87 ALA HA A 90 GLU HGy 1.0 1.995 5.605 63 28 A 90 GLU HGx A 87 ALA HA 1.0 1.995 5.605 64 29 A 90 GLU HA A 90 GLU HGy 1.0 1.967 5.007 65 29 A 90 GLU HA A 90 GLU HGx 1.0 1.967 5.007 66 30 A 90 GLU HGy A 89 PHE HBx 1.0 1.804 8.698 67 30 A 90 GLU HGx A 89 PHE HBx 1.0 1.804 8.698 68 31 A 90 GLU HGy A 89 PHE HBy 1.0 1.989 5.409 69 31 A 90 GLU HGx A 89 PHE HBy 1.0 1.989 5.409 70 32 A 90 GLU HBy A 90 GLU HGx 1.0 1.722 3.294 71 32 A 90 GLU HBx A 90 GLU HGx 1.0 1.722 3.294 72 32 A 90 GLU HBy A 90 GLU HGy 1.0 1.722 3.294 73 33 A 92 TYR HBx A 89 PHE HA 1.0 1.941 4.685 74 33 A 89 PHE HBy A 89 PHE HA 1.0 1.941 4.685 75 34 A 90 GLU HGy A 89 PHE HDx 1.0 1.848 8.360 76 34 A 90 GLU HGx A 89 PHE HDy 1.0 1.848 8.360 77 34 A 90 GLU HGx A 89 PHE HDx 1.0 1.848 8.360 78 34 A 90 GLU HGy A 89 PHE HDy 1.0 1.848 8.360 79 35 A 88 ARG HA A 91 ARG HBx 1.0 1.701 3.207 80 35 A 88 ARG HA A 88 ARG HBx 1.0 1.701 3.207 81 35 A 88 ARG HA A 88 ARG HBy 1.0 1.701 3.207 82 36 A 88 ARG HA A 88 ARG HDx 1.0 1.941 4.679 83 36 A 88 ARG HA A 88 ARG HDy 1.0 1.941 4.679 84 37 A 88 ARG HBy A 88 ARG HGx 1.0 1.757 3.455 85 37 A 88 ARG HBy A 88 ARG HGy 1.0 1.757 3.455 86 37 A 88 ARG HBx A 88 ARG HGy 1.0 1.757 3.455 87 38 A 87 ALA HA A 87 ALA HB% 1.0 1.501 2.503 88 38 A 83 ALA HA A 83 ALA HB% 1.0 1.501 2.503 89 39 A 87 ALA HB% A 84 ASP HBx 1.0 1.995 6.433 90 39 A 83 ALA HB% A 84 ASP HBx 1.0 1.995 6.433 91 40 A 83 ALA HB% A 84 ASP HBy 1.0 1.736 9.168 92 40 A 87 ALA HB% A 84 ASP HBy 1.0 1.736 9.168 93 41 A 82 GLU HA A 82 GLU HBy 1.0 1.763 3.481 94 41 A 82 GLU HA A 82 GLU HGx 1.0 1.763 3.481 95 42 A 81 MET HA A 81 MET HBx 1.0 1.849 3.949 96 42 A 81 MET HA A 81 MET HBy 1.0 1.849 3.949 97 43 A 81 MET HBx A 81 MET HGy 1.0 1.799 3.669 98 43 A 81 MET HBy A 81 MET HGy 1.0 1.799 3.669 99 44 A 80 LEU HG A 80 LEU HDx% 1.0 1.860 4.022 100 44 A 80 LEU HDx% A 80 LEU HBy 1.0 1.860 4.022 101 45 A 80 LEU HBy A 80 LEU HDy% 1.0 1.691 3.165 102 45 A 80 LEU HG A 80 LEU HDy% 1.0 1.691 3.165 103 46 A 23 ARG HA A 23 ARG HBx 1.0 1.753 3.439 104 46 A 79 ARG HBy A 79 ARG HA 1.0 1.753 3.439 105 46 A 23 ARG HBy A 23 ARG HA 1.0 1.753 3.439 106 47 A 79 ARG HA A 79 ARG HGy 1.0 1.895 4.267 107 47 A 79 ARG HA A 79 ARG HGx 1.0 1.895 4.267 108 48 A 77 ILE HD1% A 13 PHE HEy 1.0 1.984 6.744 109 48 A 13 PHE HDy A 77 ILE HD1% 1.0 1.984 6.744 110 48 A 77 ILE HD1% A 13 PHE HEx 1.0 1.984 6.744 111 48 A 13 PHE HDx A 77 ILE HD1% 1.0 1.984 6.744 112 49 A 76 GLU HA A 76 GLU HGy 1.0 1.847 3.939 113 49 A 76 GLU HA A 76 GLU HGx 1.0 1.847 3.939 114 50 A 73 ASN HA A 73 ASN HBx 1.0 1.859 4.013 115 50 A 73 ASN HA A 73 ASN HBy 1.0 1.859 4.013 116 51 A 103 TRP HZ2 A 70 LEU HDy% 1.0 1.885 8.031 117 51 A 70 LEU HDy% A 103 TRP HE3 1.0 1.885 8.031 118 52 A 68 LEU HA A 68 LEU HBy 1.0 1.830 3.842 119 52 A 68 LEU HA A 68 LEU HBx 1.0 1.830 3.842 120 53 A 68 LEU HBx A 68 LEU HDy% 1.0 1.677 3.107 121 53 A 68 LEU HBy A 68 LEU HDy% 1.0 1.677 3.107 122 54 A 67 ASN HA A 52 VAL HGx% 1.0 1.820 3.778 123 54 A 67 ASN HA A 52 VAL HGy% 1.0 1.820 3.778 124 55 A 66 LEU HA A 66 LEU HG 1.0 1.639 2.963 125 55 A 66 LEU HA A 66 LEU HBx 1.0 1.639 2.963 126 56 A 66 LEU HBx A 66 LEU HDx% 1.0 1.755 3.443 127 56 A 66 LEU HDy% A 66 LEU HBx 1.0 1.755 3.443 128 57 A 89 PHE HDx A 93 LEU HG 1.0 1.925 4.523 129 57 A 93 LEU HG A 89 PHE HEy 1.0 1.925 4.523 130 57 A 93 LEU HG A 89 PHE HEx 1.0 1.925 4.523 131 57 A 89 PHE HDy A 93 LEU HG 1.0 1.925 4.523 132 58 A 65 PRO HA A 65 PRO HBy 1.0 1.571 2.725 133 58 A 65 PRO HA A 65 PRO HBx 1.0 1.571 2.725 134 59 A 65 PRO HA A 65 PRO HGx 1.0 1.812 8.638 135 59 A 65 PRO HA A 65 PRO HGy 1.0 1.812 8.638 136 60 A 60 ARG HA A 60 ARG HBx 1.0 1.836 3.872 137 60 A 60 ARG HA A 60 ARG HBy 1.0 1.836 3.872 138 61 A 60 ARG HBx A 60 ARG HDy 1.0 1.988 5.396 139 61 A 60 ARG HBx A 60 ARG HDx 1.0 1.988 5.396 140 62 A 60 ARG HBy A 60 ARG HDy 1.0 1.880 4.164 141 62 A 60 ARG HBy A 60 ARG HDx 1.0 1.880 4.164 142 63 A 60 ARG HA A 60 ARG HGx 1.0 1.920 4.484 143 63 A 60 ARG HA A 60 ARG HGy 1.0 1.920 4.484 144 64 A 60 ARG HDx A 60 ARG HGy 1.0 1.795 3.643 145 64 A 60 ARG HDy A 60 ARG HGx 1.0 1.795 3.643 146 64 A 60 ARG HDx A 60 ARG HGx 1.0 1.795 3.643 147 65 A 38 VAL HA A 38 VAL HB 1.0 1.827 3.821 148 65 A 59 VAL HA A 59 VAL HB 1.0 1.827 3.821 149 66 A 59 VAL HA A 59 VAL HGx% 1.0 1.276 6.000 150 66 A 59 VAL HA A 59 VAL HGy% 1.0 1.276 6.000 151 67 A 59 VAL HB A 59 VAL HGy% 1.0 1.590 2.788 152 67 A 59 VAL HB A 59 VAL HGx% 1.0 1.590 2.788 153 68 A 58 HIS HA A 58 HIS HBy 1.0 1.524 2.574 154 68 A 58 HIS HBx A 58 HIS HA 1.0 1.524 2.574 155 69 A 57 GLU HA A 57 GLU HGy 1.0 1.935 4.617 156 69 A 57 GLU HA A 57 GLU HGx 1.0 1.935 4.617 157 70 A 57 GLU HA A 57 GLU HBy 1.0 1.839 3.891 158 70 A 57 GLU HA A 57 GLU HBx 1.0 1.839 3.891 159 71 A 55 HIS HA A 55 HIS HBx 1.0 1.680 3.120 160 71 A 55 HIS HA A 55 HIS HBy 1.0 1.680 3.120 161 72 A 54 PRO HA A 54 PRO HDx 1.0 1.961 7.153 162 72 A 54 PRO HA A 54 PRO HDy 1.0 1.961 7.153 163 73 A 54 PRO HA A 54 PRO HBy 1.0 1.940 4.678 164 73 A 54 PRO HA A 54 PRO HGx 1.0 1.940 4.678 165 74 A 54 PRO HBy A 54 PRO HBx 1.0 1.454 2.366 166 74 A 54 PRO HGx A 54 PRO HBx 1.0 1.454 2.366 167 75 A 54 PRO HDy A 54 PRO HBy 1.0 1.961 7.151 168 75 A 54 PRO HDx A 54 PRO HBy 1.0 1.961 7.151 169 76 A 54 PRO HDx A 54 PRO HBx 1.0 1.974 6.940 170 76 A 54 PRO HDy A 54 PRO HBx 1.0 1.974 6.940 171 77 A 54 PRO HA A 54 PRO HGx 1.0 1.975 6.911 172 77 A 54 PRO HA A 54 PRO HGy 1.0 1.975 6.911 173 78 A 54 PRO HDy A 54 PRO HGx 1.0 1.785 3.589 174 78 A 54 PRO HDy A 54 PRO HGy 1.0 1.785 3.589 175 78 A 54 PRO HDx A 54 PRO HGy 1.0 1.785 3.589 176 79 A 54 PRO HGx A 54 PRO HBx 1.0 1.540 2.626 177 79 A 46 PRO HGy A 46 PRO HBx 1.0 1.540 2.626 178 80 A 54 PRO HDx A 53 ALA HA 1.0 1.668 3.072 179 80 A 54 PRO HDy A 53 ALA HA 1.0 1.668 3.072 180 81 A 52 VAL HGx% A 52 VAL HA 1.0 1.834 3.860 181 81 A 52 VAL HGy% A 52 VAL HA 1.0 1.834 3.860 182 82 A 52 VAL HGx% A 52 VAL HB 1.0 1.637 2.957 183 82 A 52 VAL HGy% A 52 VAL HB 1.0 1.637 2.957 184 83 A 51 ILE HD1% A 51 ILE HB 1.0 1.515 2.547 185 83 A 51 ILE HG2% A 51 ILE HB 1.0 1.515 2.547 186 84 A 51 ILE HG2% A 51 ILE HG1x 1.0 1.513 2.541 187 84 A 51 ILE HD1% A 51 ILE HG1x 1.0 1.513 2.541 188 85 A 50 ARG HA A 50 ARG HBx 1.0 1.997 5.683 189 85 A 50 ARG HA A 50 ARG HBy 1.0 1.997 5.683 190 86 A 50 ARG HA A 50 ARG HGx 1.0 1.960 4.918 191 86 A 50 ARG HA A 50 ARG HGy 1.0 1.960 4.918 192 87 A 50 ARG HA A 50 ARG HD2 1.0 1.250 11.648 193 87 A 50 ARG HA A 50 ARG HD3 1.0 1.250 11.648 194 88 A 49 VAL HB A 37 VAL HGx% 1.0 1.823 3.797 195 88 A 49 VAL HB A 37 VAL HGy% 1.0 1.823 3.797 196 89 A 48 GLN HA A 48 GLN HGy 1.0 1.908 7.808 197 89 A 48 GLN HA A 48 GLN HGx 1.0 1.908 7.808 198 90 A 48 GLN HA A 48 GLN HBx 1.0 1.635 2.949 199 90 A 48 GLN HA A 48 GLN HBy 1.0 1.635 2.949 200 91 A 48 GLN HGy A 48 GLN HBy 1.0 1.950 4.790 201 91 A 48 GLN HGx A 48 GLN HBy 1.0 1.950 4.790 202 91 A 48 GLN HGy A 48 GLN HBx 1.0 1.950 4.790 203 92 A 13 PHE HDx A 47 THR HB 1.0 1.983 5.269 204 92 A 13 PHE HDy A 47 THR HB 1.0 1.983 5.269 205 92 A 13 PHE HEy A 47 THR HB 1.0 1.983 5.269 206 92 A 13 PHE HEx A 47 THR HB 1.0 1.983 5.269 207 93 A 47 THR HA A 47 THR HG2% 1.0 1.731 3.333 208 93 A 47 THR HB A 47 THR HG2% 1.0 1.731 3.333 209 94 A 13 PHE HEy A 47 THR HG2% 1.0 1.877 4.145 210 94 A 13 PHE HEx A 47 THR HG2% 1.0 1.877 4.145 211 94 A 13 PHE HDx A 47 THR HG2% 1.0 1.877 4.145 212 94 A 13 PHE HDy A 47 THR HG2% 1.0 1.877 4.145 213 95 A 40 TYR HEy A 44 GLY HAx 1.0 1.695 9.427 214 95 A 40 TYR HEx A 44 GLY HAx 1.0 1.695 9.427 215 95 A 40 TYR HA A 40 TYR HEy 1.0 1.695 9.427 216 95 A 40 TYR HEx A 40 TYR HA 1.0 1.695 9.427 217 96 A 45 HIS HA A 45 HIS HBy 1.0 1.831 3.841 218 96 A 45 HIS HA A 45 HIS HBx 1.0 1.831 3.841 219 97 A 37 VAL HGx% A 37 VAL HA 1.0 1.735 3.353 220 97 A 37 VAL HGy% A 37 VAL HA 1.0 1.735 3.353 221 98 A 37 VAL HGy% A 37 VAL HB 1.0 1.607 2.845 222 98 A 37 VAL HGx% A 37 VAL HB 1.0 1.607 2.845 223 99 A 36 ASP HA A 36 ASP HBy 1.0 1.750 3.420 224 99 A 36 ASP HA A 36 ASP HBx 1.0 1.750 3.420 225 100 A 34 HIS HA A 34 HIS HBx 1.0 1.758 3.460 226 100 A 34 HIS HA A 34 HIS HBy 1.0 1.758 3.460 227 101 A 54 PRO HDx A 33 ALA HA 1.0 1.909 4.379 228 101 A 54 PRO HDy A 33 ALA HA 1.0 1.909 4.379 229 102 A 32 ARG HGy A 32 ARG HDy 1.0 1.483 2.449 230 102 A 32 ARG HGy A 32 ARG HDx 1.0 1.483 2.449 231 103 A 32 ARG HDy A 32 ARG HGx 1.0 1.237 6.000 232 103 A 32 ARG HDx A 32 ARG HGx 1.0 1.237 6.000 233 104 A 28 LEU HBy A 28 LEU HDy% 1.0 1.561 2.691 234 104 A 28 LEU HDy% A 28 LEU HG 1.0 1.561 2.691 235 105 A 25 ILE HA A 25 ILE HB 1.0 1.899 4.303 236 105 A 28 LEU HBy A 25 ILE HA 1.0 1.899 4.303 237 106 A 25 ILE HA A 25 ILE HG1y 1.0 1.998 5.696 238 106 A 25 ILE HA A 25 ILE HG1x 1.0 1.998 5.696 239 107 A 25 ILE HB A 25 ILE HG1x 1.0 1.998 6.206 240 107 A 25 ILE HB A 25 ILE HG1y 1.0 1.998 6.206 241 108 A 5 MET HGy A 5 MET HBy 1.0 1.552 2.660 242 108 A 25 ILE HB A 25 ILE HG1x 1.0 1.552 2.660 243 108 A 5 MET HBx A 5 MET HGx 1.0 1.552 2.660 244 108 A 5 MET HBy A 5 MET HGx 1.0 1.552 2.660 245 108 A 5 MET HGx A 5 MET HE1 1.0 1.552 2.660 246 108 A 5 MET HGy A 5 MET HBx 1.0 1.552 2.660 247 109 A 25 ILE HG1x A 25 ILE HG2% 1.0 1.826 3.812 248 109 A 25 ILE HG1y A 25 ILE HG2% 1.0 1.826 3.812 249 110 A 25 ILE HG1y A 25 ILE HD1% 1.0 1.432 2.304 250 110 A 25 ILE HG1x A 25 ILE HD1% 1.0 1.432 2.304 251 111 A 35 THR HB A 22 ALA HB% 1.0 1.740 3.378 252 111 A 22 ALA HB% A 19 PRO HA 1.0 1.740 3.378 253 112 A 21 ILE HA A 21 ILE HG1x 1.0 1.626 2.914 254 112 A 21 ILE HA A 21 ILE HG1y 1.0 1.626 2.914 255 113 A 21 ILE HG1y A 21 ILE HB 1.0 1.968 5.012 256 113 A 21 ILE HG1x A 21 ILE HB 1.0 1.968 5.012 257 114 A 21 ILE HG1y A 21 ILE HD1% 1.0 1.743 3.389 258 114 A 21 ILE HG1x A 21 ILE HD1% 1.0 1.743 3.389 259 115 A 13 PHE HDx A 18 ALA HB% 1.0 1.901 4.319 260 115 A 13 PHE HEy A 18 ALA HB% 1.0 1.901 4.319 261 115 A 13 PHE HDy A 18 ALA HB% 1.0 1.901 4.319 262 115 A 13 PHE HEx A 18 ALA HB% 1.0 1.901 4.319 263 116 A 16 GLU HA A 16 GLU HGx 1.0 1.939 4.661 264 116 A 16 GLU HA A 16 GLU HBy 1.0 1.939 4.661 265 117 A 12 ARG HA A 12 ARG HDy 1.0 1.708 9.352 266 117 A 12 ARG HA A 12 ARG HDx 1.0 1.708 9.352 267 118 A 91 ARG HGy A 91 ARG HBx 1.0 1.427 2.291 268 118 A 91 ARG HGx A 91 ARG HBx 1.0 1.427 2.291 269 118 A 12 ARG HBy A 12 ARG HGx 1.0 1.427 2.291 270 119 A 12 ARG HDy A 12 ARG HBy 1.0 1.930 4.580 271 119 A 12 ARG HDx A 12 ARG HBy 1.0 1.930 4.580 272 120 A 11 ARG HA A 11 ARG HDx 1.0 2.000 5.980 273 120 A 11 ARG HA A 11 ARG HDy 1.0 2.000 5.980 274 121 A 11 ARG HA A 11 ARG HGx 1.0 1.752 3.428 275 121 A 11 ARG HA A 11 ARG HGy 1.0 1.752 3.428 276 122 A 11 ARG HDx A 11 ARG HGx 1.0 1.630 2.930 277 122 A 11 ARG HDy A 11 ARG HGx 1.0 1.630 2.930 278 122 A 11 ARG HDx A 11 ARG HGy 1.0 1.630 2.930 279 122 A 11 ARG HDy A 11 ARG HGy 1.0 1.630 2.930 280 123 A 6 SER HA A 6 SER HBx 1.0 1.594 2.800 281 123 A 6 SER HA A 7 PRO HDx 1.0 1.594 2.800 282 124 A 7 PRO HBx A 7 PRO HDy 1.0 1.856 3.998 283 124 A 7 PRO HDx A 7 PRO HBx 1.0 1.856 3.998 284 125 A 7 PRO HDx A 7 PRO HBy 1.0 1.986 6.682 285 125 A 7 PRO HDy A 7 PRO HBy 1.0 1.986 6.682 286 126 A 7 PRO HDx A 7 PRO HA 1.0 1.933 4.597 287 126 A 7 PRO HDy A 7 PRO HA 1.0 1.933 4.597 288 127 A 6 SER HA A 7 PRO HDy 1.0 1.742 3.386 289 127 A 6 SER HA A 7 PRO HDx 1.0 1.742 3.386 290 128 A 7 PRO HDy A 7 PRO HGy 1.0 1.841 3.903 291 128 A 7 PRO HDx A 7 PRO HGy 1.0 1.841 3.903 292 129 A 5 MET HBy A 5 MET HA 1.0 1.677 3.111 293 129 A 5 MET HBx A 5 MET HA 1.0 1.677 3.111 294 130 A 5 MET HGy A 5 MET HBx 1.0 1.763 3.485 295 130 A 5 MET HGy A 5 MET HBy 1.0 1.763 3.485 296 131 A 5 MET HGy A 5 MET HA 1.0 1.970 5.042 297 131 A 5 MET HGx A 5 MET HA 1.0 1.970 5.042 298 132 A 3 MET HA A 3 MET HBy 1.0 1.953 4.815 299 132 A 3 MET HA A 3 MET HBx 1.0 1.953 4.815 300 133 A 3 MET HBy A 3 MET HGx 1.0 1.882 4.174 301 133 A 3 MET HBy A 3 MET HGy 1.0 1.882 4.174 302 134 A 120 LEU HDx% A 122 LEU HG 1.0 1.738 3.366 303 134 A 120 LEU HDx% A 120 LEU HBx 1.0 1.738 3.366 304 135 A 116 GLN HGy A 116 GLN HA 1.0 1.996 6.380 305 135 A 116 GLN HGx A 116 GLN HA 1.0 1.996 6.380 306 136 A 38 VAL HB A 48 GLN HGx 1.0 1.651 3.007 307 136 A 38 VAL HB A 48 GLN HGy 1.0 1.651 3.007 308 137 A 82 GLU HA A 81 MET HBx 1.0 1.991 5.471 309 137 A 82 GLU HA A 81 MET HBy 1.0 1.991 5.471 310 138 A 111 PHE HDy A 109 VAL HGy% 1.0 1.920 4.480 311 138 A 111 PHE HEx A 109 VAL HGy% 1.0 1.920 4.480 312 138 A 111 PHE HDx A 109 VAL HGy% 1.0 1.920 4.480 313 138 A 111 PHE HEy A 109 VAL HGy% 1.0 1.920 4.480 314 139 A 48 GLN HBy A 38 VAL HGy% 1.0 1.972 5.086 315 139 A 48 GLN HBx A 38 VAL HGy% 1.0 1.972 5.086 316 140 A 48 GLN HBy A 38 VAL HGx% 1.0 1.996 5.674 317 140 A 48 GLN HBx A 38 VAL HGx% 1.0 1.996 5.674 318 141 A 11 ARG HDy A 8 ASP HA 1.0 1.966 7.074 319 141 A 11 ARG HDx A 8 ASP HA 1.0 1.966 7.074 320 142 A 12 ARG HDy A 9 THR HA 1.0 1.997 6.329 321 142 A 12 ARG HDx A 9 THR HA 1.0 1.997 6.329 322 143 A 50 ARG HBx A 69 ALA HB% 1.0 1.997 6.325 323 143 A 50 ARG HBy A 69 ALA HB% 1.0 1.997 6.325 324 144 A 116 GLN HGx A 109 VAL HGy% 1.0 2.000 6.010 325 144 A 116 GLN HGy A 109 VAL HGy% 1.0 2.000 6.010 326 145 A 114 ARG HDx A 32 ARG HBx 1.0 1.988 5.394 327 145 A 114 ARG HDy A 32 ARG HBx 1.0 1.988 5.394 328 146 A 54 PRO HDx A 53 ALA HB% 1.0 1.996 5.672 329 146 A 54 PRO HDy A 53 ALA HB% 1.0 1.996 5.672 330 147 A 48 GLN HBx A 48 GLN H 1.0 1.858 4.014 331 147 A 48 GLN HBy A 48 GLN H 1.0 1.858 4.014 332 148 A 70 LEU HDx% A 70 LEU H 1.0 1.932 4.596 333 148 A 70 LEU HBy A 70 LEU H 1.0 1.932 4.596 334 149 A 115 THR H A 113 SER HBx 1.0 1.810 3.728 335 149 A 115 THR H A 114 ARG HA 1.0 1.810 3.728 336 150 A 5 MET H A 4 GLY HAy 1.0 1.710 3.244 337 150 A 5 MET H A 4 GLY HAx 1.0 1.710 3.244 338 151 A 5 MET HBx A 5 MET H 1.0 1.868 4.076 339 151 A 5 MET HBy A 5 MET H 1.0 1.868 4.076 340 152 A 100 LEU HBy A 100 LEU H 1.0 1.570 2.720 341 152 A 100 LEU HBx A 100 LEU H 1.0 1.570 2.720 342 153 A 13 PHE HA A 16 GLU H 1.0 1.823 3.795 343 153 A 16 GLU HA A 16 GLU H 1.0 1.823 3.795 344 154 A 50 ARG HD3 A 50 ARG HE 1.0 1.893 4.253 345 154 A 50 ARG HD2 A 50 ARG HE 1.0 1.893 4.253 346 155 A 50 ARG HBy A 50 ARG HE 1.0 1.999 5.811 347 155 A 50 ARG HBx A 50 ARG HE 1.0 1.999 5.811 348 156 A 50 ARG HGx A 50 ARG HE 1.0 1.963 4.953 349 156 A 50 ARG HGy A 50 ARG HE 1.0 1.963 4.953 350 157 A 20 ARG H A 20 ARG HBy 1.0 1.782 3.574 351 157 A 20 ARG H A 20 ARG HBx 1.0 1.782 3.574 352 158 A 20 ARG H A 20 ARG HGx 1.0 1.893 4.263 353 158 A 20 ARG H A 20 ARG HGy 1.0 1.893 4.263 354 159 A 21 ILE HA A 21 ILE H 1.0 1.668 3.074 355 159 A 26 ALA HA A 26 ALA H 1.0 1.668 3.074 356 160 A 25 ILE HG2% A 26 ALA H 1.0 1.883 4.179 357 160 A 21 ILE HD1% A 21 ILE H 1.0 1.883 4.179 358 161 A 27 ASP H A 27 ASP HBy 1.0 1.555 2.671 359 161 A 27 ASP H A 27 ASP HBx 1.0 1.555 2.671 360 162 A 32 ARG HDx A 32 ARG H 1.0 1.967 7.069 361 162 A 32 ARG HDy A 32 ARG H 1.0 1.967 7.069 362 163 A 33 ALA H A 29 LEU HBx 1.0 1.782 3.576 363 163 A 29 LEU HBy A 33 ALA H 1.0 1.782 3.576 364 164 A 34 HIS HBy A 34 HIS H 1.0 1.741 3.381 365 164 A 34 HIS HBx A 34 HIS H 1.0 1.741 3.381 366 165 A 36 ASP HBx A 36 ASP H 1.0 1.904 4.340 367 165 A 36 ASP HBy A 36 ASP H 1.0 1.904 4.340 368 166 A 38 VAL HA A 39 GLY H 1.0 1.558 2.680 369 166 A 39 GLY H A 39 GLY HAx 1.0 1.558 2.680 370 167 A 88 ARG HBy A 89 PHE H 1.0 1.730 3.332 371 167 A 88 ARG HBx A 89 PHE H 1.0 1.730 3.332 372 168 A 52 VAL HGy% A 51 ILE H 1.0 1.916 4.446 373 168 A 51 ILE HG1x A 51 ILE H 1.0 1.916 4.446 374 169 A 52 VAL H A 34 HIS HD2 1.0 1.969 5.033 375 169 A 67 ASN H A 116 GLN HE21 1.0 1.969 5.033 376 169 A 67 ASN H A 66 LEU H 1.0 1.969 5.033 377 170 A 55 HIS HBx A 55 HIS H 1.0 1.838 3.882 378 170 A 55 HIS HBy A 55 HIS H 1.0 1.838 3.882 379 171 A 55 HIS HA A 55 HIS H 1.0 1.784 3.586 380 171 A 54 PRO HA A 55 HIS H 1.0 1.784 3.586 381 172 A 55 HIS HBy A 56 ALA H 1.0 1.993 6.477 382 172 A 55 HIS HBx A 56 ALA H 1.0 1.993 6.477 383 173 A 57 GLU HGx A 57 GLU H 1.0 1.976 5.154 384 173 A 57 GLU HGy A 57 GLU H 1.0 1.976 5.154 385 174 A 58 HIS HBx A 58 HIS H 1.0 1.950 4.792 386 174 A 58 HIS HBy A 58 HIS H 1.0 1.950 4.792 387 175 A 59 VAL HGy% A 59 VAL H 1.0 1.779 3.565 388 175 A 59 VAL HGx% A 59 VAL H 1.0 1.779 3.565 389 176 A 58 HIS HBy A 59 VAL H 1.0 1.897 7.915 390 176 A 58 HIS HBx A 59 VAL H 1.0 1.897 7.915 391 177 A 60 ARG HDy A 60 ARG H 1.0 1.877 8.107 392 177 A 60 ARG HDx A 60 ARG H 1.0 1.877 8.107 393 178 A 60 ARG HBy A 60 ARG H 1.0 1.822 3.790 394 178 A 60 ARG HBx A 60 ARG H 1.0 1.822 3.790 395 179 A 60 ARG HGy A 60 ARG H 1.0 1.933 4.607 396 179 A 60 ARG HGx A 60 ARG H 1.0 1.933 4.607 397 180 A 59 VAL HGx% A 60 ARG H 1.0 1.940 4.672 398 180 A 59 VAL HGy% A 60 ARG H 1.0 1.940 4.672 399 181 A 60 ARG HGx A 61 GLY H 1.0 1.963 7.123 400 181 A 60 ARG HGy A 61 GLY H 1.0 1.963 7.123 401 182 A 65 PRO HBy A 66 LEU H 1.0 1.951 4.803 402 182 A 65 PRO HBx A 66 LEU H 1.0 1.951 4.803 403 183 A 68 LEU HBy A 68 LEU H 1.0 1.751 3.425 404 183 A 68 LEU HBx A 68 LEU H 1.0 1.751 3.425 405 184 A 68 LEU HDy% A 68 LEU H 1.0 1.898 4.300 406 184 A 52 VAL HGy% A 68 LEU H 1.0 1.898 4.300 407 185 A 75 ASP HBy A 75 ASP H 1.0 1.734 3.350 408 185 A 75 ASP HBx A 75 ASP H 1.0 1.734 3.350 409 186 A 76 GLU HGy A 77 ILE H 1.0 1.996 5.654 410 186 A 76 GLU HGx A 77 ILE H 1.0 1.996 5.654 411 187 A 77 ILE HD1% A 77 ILE H 1.0 1.963 4.957 412 187 A 77 ILE HG2% A 77 ILE H 1.0 1.963 4.957 413 188 A 78 GLU H A 78 GLU HBy 1.0 1.654 3.020 414 188 A 78 GLU H A 78 GLU HBx 1.0 1.654 3.020 415 189 A 79 ARG HBx A 79 ARG H 1.0 1.605 2.839 416 189 A 79 ARG HBy A 79 ARG H 1.0 1.605 2.839 417 190 A 79 ARG HGx A 79 ARG H 1.0 1.989 5.401 418 190 A 79 ARG HGy A 79 ARG H 1.0 1.989 5.401 419 191 A 80 LEU HA A 81 MET H 1.0 1.918 4.460 420 191 A 78 GLU HA A 81 MET H 1.0 1.918 4.460 421 192 A 82 GLU H A 85 GLY HAx 1.0 1.811 3.731 422 192 A 82 GLU HA A 82 GLU H 1.0 1.811 3.731 423 193 A 82 GLU HGx A 82 GLU H 1.0 1.826 3.814 424 193 A 82 GLU HBy A 82 GLU H 1.0 1.826 3.814 425 194 A 88 ARG HDx A 88 ARG H 1.0 1.971 6.993 426 194 A 88 ARG HDy A 88 ARG H 1.0 1.971 6.993 427 195 A 88 ARG HBx A 88 ARG H 1.0 1.640 2.964 428 195 A 88 ARG HBy A 88 ARG H 1.0 1.640 2.964 429 196 A 90 GLU HGy A 90 GLU H 1.0 1.816 3.756 430 196 A 90 GLU HGx A 90 GLU H 1.0 1.816 3.756 431 197 A 91 ARG H A 91 ARG HDy 1.0 1.988 6.644 432 197 A 91 ARG H A 91 ARG HDx 1.0 1.988 6.644 433 198 A 90 GLU HBy A 91 ARG H 1.0 1.748 3.414 434 198 A 90 GLU HBx A 91 ARG H 1.0 1.748 3.414 435 199 A 91 ARG HGx A 91 ARG H 1.0 1.997 6.301 436 199 A 91 ARG HGy A 91 ARG H 1.0 1.997 6.301 437 200 A 92 TYR HBx A 92 TYR H 1.0 1.669 3.079 438 200 A 92 TYR HBy A 92 TYR H 1.0 1.669 3.079 439 201 A 93 LEU H A 93 LEU HDx% 1.0 1.871 4.095 440 201 A 93 LEU H A 93 LEU HDy% 1.0 1.871 4.095 441 202 A 95 ALA H A 95 ALA HB% 1.0 1.538 2.618 442 202 A 94 ALA HB% A 94 ALA H 1.0 1.538 2.618 443 203 A 96 LEU HBx A 96 LEU H 1.0 1.656 3.026 444 203 A 96 LEU HG A 96 LEU H 1.0 1.656 3.026 445 204 A 98 ARG HDy A 98 ARG H 1.0 1.935 7.497 446 204 A 98 ARG HDx A 98 ARG H 1.0 1.935 7.497 447 205 A 97 PRO HBy A 98 ARG H 1.0 1.969 5.037 448 205 A 97 PRO HBx A 98 ARG H 1.0 1.969 5.037 449 206 A 98 ARG HBy A 98 ARG H 1.0 1.620 2.894 450 206 A 98 ARG HBx A 98 ARG H 1.0 1.620 2.894 451 207 A 104 GLU HA A 105 ASN H 1.0 1.922 4.496 452 207 A 102 ALA HA A 105 ASN H 1.0 1.922 4.496 453 208 A 105 ASN HBx A 105 ASN H 1.0 1.723 3.297 454 208 A 105 ASN HBy A 105 ASN H 1.0 1.723 3.297 455 209 A 64 HIS H A 116 GLN H 1.0 1.983 5.279 456 209 A 117 ALA H A 116 GLN H 1.0 1.983 5.279 457 210 A 107 ARG HGy A 108 GLY H 1.0 1.994 6.444 458 210 A 107 ARG HGx A 108 GLY H 1.0 1.994 6.444 459 211 A 104 GLU HA A 109 VAL H 1.0 1.743 3.393 460 211 A 109 VAL HA A 109 VAL H 1.0 1.743 3.393 461 212 A 112 GLY H A 112 GLY HAy 1.0 1.685 3.139 462 212 A 112 GLY H A 112 GLY HAx 1.0 1.685 3.139 463 213 A 114 ARG HDx A 114 ARG H 1.0 1.899 7.895 464 213 A 114 ARG HDy A 114 ARG H 1.0 1.899 7.895 465 214 A 114 ARG H A 114 ARG HGy 1.0 1.850 3.960 466 214 A 114 ARG H A 114 ARG HBy 1.0 1.850 3.960 467 215 A 114 ARG HGx A 115 THR H 1.0 2.000 5.902 468 215 A 115 THR H A 114 ARG HBx 1.0 2.000 5.902 469 216 A 116 GLN HGx A 116 GLN H 1.0 1.819 3.777 470 216 A 116 GLN HGy A 116 GLN H 1.0 1.819 3.777 471 217 A 116 GLN HGx A 117 ALA H 1.0 1.975 5.121 472 217 A 116 GLN HGy A 117 ALA H 1.0 1.975 5.121 473 218 A 122 LEU HDy% A 122 LEU H 1.0 1.912 4.412 474 218 A 122 LEU HDx% A 122 LEU H 1.0 1.912 4.412 475 219 A 126 LEU HBy A 126 LEU H 1.0 1.934 4.616 476 219 A 126 LEU HDy% A 126 LEU H 1.0 1.934 4.616 477 220 A 128 PHE H A 128 PHE HBx 1.0 1.944 4.714 478 220 A 128 PHE H A 127 ASP HBy 1.0 1.944 4.714 479 221 A 48 GLN HGx A 48 GLN HE22 1.0 2.000 6.068 480 221 A 48 GLN HGy A 48 GLN HE22 1.0 2.000 6.068 481 222 A 48 GLN HGy A 48 GLN HE21 1.0 1.907 4.367 482 222 A 48 GLN HGx A 48 GLN HE21 1.0 1.907 4.367 483 223 A 116 GLN HGx A 116 GLN HE21 1.0 1.876 4.126 484 223 A 116 GLN HGy A 116 GLN HE21 1.0 1.876 4.126 485 224 A 116 GLN HGx A 116 GLN HE22 1.0 1.966 5.000 486 224 A 116 GLN HGy A 116 GLN HE22 1.0 1.966 5.000 487 225 A 105 ASN HBy A 105 ASN HD21 1.0 1.904 4.344 488 225 A 105 ASN HBx A 105 ASN HD21 1.0 1.904 4.344 489 226 A 105 ASN HBy A 105 ASN HD22 1.0 1.949 7.329 490 226 A 105 ASN HBx A 105 ASN HD22 1.0 1.949 7.329 491 227 A 24 ALA H A 25 ILE H 1.0 1.516 2.548 492 227 A 26 ALA H A 25 ILE H 1.0 1.516 2.548 493 228 A 20 ARG HBx A 21 ILE H 1.0 1.647 2.991 494 228 A 23 ARG HBy A 24 ALA H 1.0 1.647 2.991 495 228 A 23 ARG HBx A 24 ALA H 1.0 1.647 2.991 496 229 A 26 ALA H A 26 ALA HB% 1.0 1.448 2.348 497 229 A 24 ALA H A 24 ALA HB% 1.0 1.448 2.348 498 230 A 45 HIS HA A 45 HIS H 1.0 1.937 4.635 499 230 A 44 GLY HAx A 45 HIS H 1.0 1.937 4.635 500 231 A 48 GLN HBy A 48 GLN HE21 1.0 1.978 5.178 501 231 A 48 GLN HBx A 48 GLN HE21 1.0 1.978 5.178 502 232 A 48 GLN HBx A 48 GLN HE22 1.0 1.997 6.329 503 232 A 48 GLN HBy A 48 GLN HE22 1.0 1.997 6.329 504 233 A 98 ARG HGy A 99 LYS H 1.0 1.998 6.264 505 233 A 98 ARG HGx A 99 LYS H 1.0 1.998 6.264 506 234 A 12 ARG HDy A 12 ARG H 1.0 1.988 6.640 507 234 A 12 ARG HDx A 12 ARG H 1.0 1.988 6.640 508 235 A 50 ARG HGx A 36 ASP H 1.0 1.941 4.687 509 235 A 50 ARG HGy A 36 ASP H 1.0 1.941 4.687 510 236 A 114 ARG HGx A 114 ARG H 1.0 1.998 5.710 511 236 A 114 ARG H A 114 ARG HBx 1.0 1.998 5.710 512 237 A 127 ASP HBx A 127 ASP H 1.0 1.969 5.027 513 237 A 118 ASP H A 118 ASP HBy 1.0 1.969 5.027 514 238 A 98 ARG HBy A 99 LYS H 1.0 1.904 4.338 515 238 A 98 ARG HBx A 99 LYS H 1.0 1.904 4.338 516 239 A 54 PRO HDy A 34 HIS H 1.0 1.964 4.950 517 239 A 54 PRO HDx A 34 HIS H 1.0 1.964 4.950 518 240 A 13 PHE HDy A 17 PHE HDy 1.0 1.997 5.673 519 240 A 17 PHE HZ A 17 PHE HDy 1.0 1.997 5.673 520 240 A 13 PHE HDy A 17 PHE HDx 1.0 1.997 5.673 521 240 A 13 PHE HDx A 17 PHE HDy 1.0 1.997 5.673 522 240 A 17 PHE HDx A 17 PHE HZ 1.0 1.997 5.673 523 240 A 13 PHE HDx A 17 PHE HDx 1.0 1.997 5.673 524 241 A 23 ARG HA A 23 ARG HDx 1.0 1.997 6.287 525 241 A 23 ARG HA A 23 ARG HDy 1.0 1.997 6.287 526 242 A 127 ASP HBx A 127 ASP HA 1.0 1.805 3.699 527 242 A 72 TRP HBy A 72 TRP HA 1.0 1.805 3.699 528 243 A 103 TRP HZ2 A 126 LEU HBx 1.0 1.962 4.938 529 243 A 103 TRP HZ2 A 70 LEU HDy% 1.0 1.962 4.938 530 244 A 21 ILE HG1y A 89 PHE HZ 1.0 1.974 5.106 531 244 A 21 ILE HG1x A 89 PHE HZ 1.0 1.974 5.106 532 245 A 50 ARG HGx A 36 ASP HBx 1.0 1.895 4.273 533 245 A 50 ARG HGy A 36 ASP HBx 1.0 1.895 4.273 534 246 A 127 ASP HBy A 129 GLU HGx 1.0 1.998 5.726 535 246 A 127 ASP HBy A 129 GLU HGy 1.0 1.998 5.726 536 247 A 58 HIS HBy A 58 HIS HD2 1.0 1.901 4.317 537 247 A 58 HIS HBx A 58 HIS HD2 1.0 1.901 4.317 538 248 A 28 LEU HA A 28 LEU H 1.0 1.616 2.876 539 248 A 27 ASP HA A 28 LEU H 1.0 1.616 2.876 540 249 A 47 THR HG2% A 48 GLN H 1.0 1.708 3.236 541 249 A 70 LEU HBx A 70 LEU H 1.0 1.708 3.236 542 250 A 50 ARG HBy A 69 ALA HA 1.0 1.871 4.099 543 250 A 50 ARG HBx A 69 ALA HA 1.0 1.871 4.099 544 251 A 130 ALA HA A 130 ALA HB% 1.0 1.462 2.388 545 252 A 129 GLU HA A 129 GLU HBx 1.0 1.948 7.336 546 253 A 128 PHE HA A 92 TYR HEy 1.0 1.944 7.398 547 253 A 128 PHE HA A 92 TYR HEx 1.0 1.944 7.398 548 254 A 128 PHE HBx A 128 PHE HA 1.0 1.744 3.394 549 255 A 128 PHE HBx A 128 PHE HBy 1.0 1.757 3.455 550 256 A 89 PHE HDy A 128 PHE HEy 1.0 1.862 4.034 551 256 A 89 PHE HDx A 128 PHE HEy 1.0 1.862 4.034 552 256 A 89 PHE HDy A 128 PHE HEx 1.0 1.862 4.034 553 256 A 89 PHE HDx A 128 PHE HEx 1.0 1.862 4.034 554 257 A 128 PHE HEy A 77 ILE HA 1.0 1.896 7.928 555 257 A 128 PHE HEx A 77 ILE HA 1.0 1.896 7.928 556 258 A 80 LEU HG A 128 PHE HEy 1.0 1.954 7.266 557 258 A 80 LEU HG A 128 PHE HEx 1.0 1.954 7.266 558 259 A 127 ASP HBy A 127 ASP HBx 1.0 1.619 2.889 559 260 A 127 ASP HBy A 127 ASP HA 1.0 1.972 5.080 560 261 A 126 LEU HBx A 126 LEU HA 1.0 1.801 3.673 561 262 A 126 LEU HDx% A 126 LEU HBy 1.0 1.980 5.230 562 263 A 126 LEU HBy A 126 LEU HA 1.0 1.793 3.635 563 264 A 126 LEU HBy A 127 ASP HA 1.0 1.873 8.147 564 265 A 127 ASP HA A 126 LEU HBx 1.0 1.759 9.021 565 266 A 126 LEU HBx A 126 LEU HG 1.0 1.999 5.837 566 267 A 126 LEU HBy A 126 LEU HBx 1.0 1.620 2.892 567 268 A 126 LEU HA A 126 LEU HG 1.0 1.725 3.307 568 269 A 103 TRP HZ2 A 126 LEU HG 1.0 1.896 4.282 569 270 A 126 LEU HDx% A 70 LEU HA 1.0 1.999 6.081 570 271 A 126 LEU HDx% A 103 TRP HZ2 1.0 1.948 7.350 571 272 A 126 LEU HDx% A 72 TRP HA 1.0 1.786 8.830 572 273 A 126 LEU HDx% A 126 LEU HA 1.0 1.950 7.302 573 274 A 126 LEU HDx% A 123 LEU HDy% 1.0 1.981 5.249 574 275 A 126 LEU HDx% A 126 LEU HBx 1.0 1.559 2.687 575 276 A 126 LEU HDx% A 123 LEU HBx 1.0 1.575 2.735 576 277 A 126 LEU HDx% A 126 LEU HDy% 1.0 1.778 3.558 577 278 A 73 ASN HBx A 125 GLY HAx 1.0 1.288 11.484 578 279 A 72 TRP HA A 125 GLY HAx 1.0 1.787 8.823 579 280 A 73 ASN HBx A 125 GLY HAy 1.0 1.999 6.211 580 281 A 73 ASN HBy A 125 GLY HAy 1.0 1.653 9.681 581 282 A 125 GLY HAx A 125 GLY HAy 1.0 1.552 2.662 582 283 A 72 TRP HA A 125 GLY HAy 1.0 1.855 8.299 583 284 A 124 GLY HAy A 124 GLY HAx 1.0 1.277 1.911 584 285 A 124 GLY HAx A 71 THR HB 1.0 1.045 12.485 585 286 A 123 LEU HA A 121 VAL HGy% 1.0 1.983 6.761 586 287 A 123 LEU HA A 123 LEU HBx 1.0 1.852 3.974 587 288 A 123 LEU HA A 123 LEU HG 1.0 1.942 4.700 588 289 A 123 LEU HA A 123 LEU HDy% 1.0 1.790 3.616 589 290 A 123 LEU HBy A 123 LEU HBx 1.0 1.469 2.409 590 291 A 123 LEU HBy A 70 LEU HDy% 1.0 1.680 3.122 591 292 A 123 LEU HBy A 123 LEU HG 1.0 1.391 6.000 592 293 A 123 LEU HD11 A 123 LEU HDy% 1.0 1.492 2.476 593 294 A 123 LEU HD11 A 123 LEU HBx 1.0 1.590 2.786 594 295 A 123 LEU HD11 A 123 LEU HG 1.0 1.489 2.467 595 296 A 123 LEU HD11 A 123 LEU HBy 1.0 1.574 2.734 596 297 A 123 LEU HD11 A 121 VAL HGy% 1.0 1.586 6.000 597 298 A 123 LEU HD11 A 103 TRP HBy 1.0 2.000 5.936 598 299 A 123 LEU HD11 A 70 LEU HA 1.0 1.966 7.070 599 300 A 123 LEU HD11 A 103 TRP HZ2 1.0 1.974 5.120 600 301 A 123 LEU HDy% A 103 TRP HD1 1.0 2.000 5.970 601 302 A 107 ARG HGx A 123 LEU HDy% 1.0 1.742 3.388 602 303 A 123 LEU HBy A 123 LEU HDy% 1.0 1.955 4.849 603 304 A 123 LEU HDy% A 123 LEU HBx 1.0 1.649 2.999 604 305 A 123 LEU HDy% A 123 LEU HG 1.0 1.150 6.000 605 306 A 123 LEU HDy% A 121 VAL HGy% 1.0 1.342 2.070 606 307 A 122 LEU HBx A 122 LEU HBy 1.0 1.310 1.990 607 308 A 122 LEU HBy A 122 LEU HA 1.0 1.960 4.900 608 309 A 122 LEU HDx% A 122 LEU HBy 1.0 1.853 3.979 609 310 A 120 LEU HDy% A 122 LEU HG 1.0 1.746 3.400 610 311 A 122 LEU HG A 122 LEU HBy 1.0 1.635 2.949 611 312 A 122 LEU HG A 122 LEU HA 1.0 1.955 4.847 612 313 A 122 LEU HDy% A 122 LEU HG 1.0 1.284 6.000 613 314 A 121 VAL HA A 121 VAL HGx% 1.0 1.898 4.298 614 315 A 121 VAL HGy% A 121 VAL HA 1.0 1.835 3.865 615 316 A 121 VAL HGx% A 121 VAL HB 1.0 1.438 2.322 616 317 A 121 VAL HGy% A 121 VAL HB 1.0 1.393 2.199 617 318 A 121 VAL HA A 121 VAL HB 1.0 2.000 5.966 618 319 A 118 ASP HBy A 121 VAL HGx% 1.0 1.962 7.154 619 320 A 120 LEU HA A 120 LEU HBy 1.0 1.893 4.259 620 321 A 120 LEU HBx A 120 LEU HA 1.0 1.957 4.865 621 322 A 120 LEU HG A 120 LEU HA 1.0 1.931 4.577 622 323 A 120 LEU HBx A 120 LEU HBy 1.0 1.177 1.693 623 324 A 120 LEU HG A 120 LEU HBy 1.0 1.668 3.074 624 325 A 120 LEU HDx% A 120 LEU HA 1.0 1.766 3.496 625 326 A 120 LEU HG A 120 LEU HDx% 1.0 1.214 6.000 626 327 A 120 LEU HDy% A 120 LEU HA 1.0 1.979 5.213 627 328 A 119 ALA HA A 119 ALA HB% 1.0 1.739 3.371 628 329 A 119 ALA HA A 64 HIS HBx 1.0 1.921 7.669 629 330 A 119 ALA HB% A 64 HIS HBx 1.0 0.783 13.457 630 331 A 119 ALA HB% A 64 HIS HE1 1.0 2.000 6.122 631 332 A 118 ASP HA A 118 ASP HBx 1.0 1.923 4.503 632 333 A 118 ASP HBy A 118 ASP HBx 1.0 1.618 2.884 633 334 A 121 VAL HGx% A 118 ASP HBx 1.0 1.999 6.159 634 335 A 118 ASP HBy A 118 ASP HA 1.0 1.845 3.929 635 336 A 117 ALA HA A 117 ALA HB% 1.0 1.619 2.891 636 337 A 117 ALA HA A 116 GLN HBy 1.0 1.683 9.503 637 338 A 115 THR HB A 115 THR HG2% 1.0 1.658 3.034 638 339 A 65 PRO HA A 115 THR HB 1.0 1.964 7.104 639 340 A 65 PRO HA A 115 THR HG2% 1.0 1.942 4.702 640 341 A 114 ARG HBy A 114 ARG HBx 1.0 1.671 3.085 641 342 A 113 SER HA A 113 SER HBy 1.0 1.802 3.684 642 343 A 113 SER HBx A 113 SER HA 1.0 1.878 4.146 643 344 A 113 SER HBx A 113 SER HBy 1.0 1.480 2.440 644 345 A 111 PHE HA A 111 PHE HBx 1.0 1.873 4.113 645 346 A 111 PHE HBy A 29 LEU HDy% 1.0 1.998 5.742 646 347 A 111 PHE HA A 111 PHE HBy 1.0 1.824 3.806 647 348 A 68 LEU HDy% A 111 PHE HZ 1.0 1.662 3.048 648 349 A 110 ASP HA A 104 GLU HGy 1.0 1.998 6.266 649 350 A 110 ASP HA A 110 ASP HBx 1.0 1.998 6.256 650 351 A 110 ASP HA A 110 ASP HBy 1.0 1.850 3.958 651 352 A 104 GLU HGx A 110 ASP HA 1.0 1.654 9.676 652 353 A 110 ASP HBx A 110 ASP HBy 1.0 1.631 2.935 653 354 A 116 GLN HA A 109 VAL HA 1.0 1.964 4.966 654 355 A 109 VAL HA A 109 VAL HGx% 1.0 1.807 3.707 655 356 A 104 GLU HGx A 109 VAL HB 1.0 1.743 9.123 656 357 A 109 VAL HGy% A 109 VAL HB 1.0 1.705 3.223 657 358 A 109 VAL HGy% A 116 GLN HBy 1.0 1.863 4.043 658 359 A 109 VAL HGy% A 109 VAL HA 1.0 1.768 3.510 659 360 A 116 GLN HA A 109 VAL HGx% 1.0 1.888 8.000 660 361 A 116 GLN HBy A 109 VAL HGx% 1.0 1.951 4.801 661 362 A 109 VAL HGx% A 109 VAL HB 1.0 1.531 2.597 662 363 A 109 VAL HGy% A 109 VAL HGx% 1.0 1.444 2.336 663 364 A 116 GLN HA A 109 VAL HGy% 1.0 1.903 7.857 664 365 A 108 GLY HAy A 108 GLY HAx 1.0 1.532 2.596 665 366 A 117 ALA HB% A 108 GLY HAy 1.0 1.983 6.757 666 367 A 117 ALA HB% A 108 GLY HAx 1.0 1.991 5.475 667 368 A 107 ARG HA A 107 ARG HDy 1.0 1.985 6.729 668 369 A 107 ARG HA A 107 ARG HDx 1.0 1.773 3.531 669 370 A 107 ARG HA A 107 ARG HBy 1.0 1.746 3.402 670 371 A 107 ARG HA A 107 ARG HBx 1.0 1.876 4.136 671 372 A 107 ARG HDx A 107 ARG HDy 1.0 1.189 1.715 672 373 A 107 ARG HDx A 107 ARG HBy 1.0 1.560 10.192 673 374 A 107 ARG HDy A 107 ARG HBy 1.0 1.594 10.012 674 375 A 107 ARG HDx A 121 VAL HGy% 1.0 1.837 8.445 675 376 A 107 ARG HDy A 107 ARG HBx 1.0 1.772 8.924 676 377 A 107 ARG HDx A 107 ARG HBx 1.0 1.960 4.908 677 378 A 107 ARG HDy A 123 LEU HDy% 1.0 1.981 5.235 678 379 A 106 ALA HA A 106 ALA HB% 1.0 1.747 3.409 679 380 A 53 ALA HA A 53 ALA HB% 1.0 1.734 3.348 680 381 A 106 ALA HB% A 103 TRP HD1 1.0 2.000 5.964 681 382 A 104 GLU HA A 104 GLU HBx 1.0 1.651 3.007 682 383 A 104 GLU HA A 109 VAL HB 1.0 1.864 4.052 683 384 A 109 VAL HGy% A 104 GLU HA 1.0 1.701 9.395 684 385 A 104 GLU HA A 104 GLU HGy 1.0 1.968 7.044 685 386 A 104 GLU HA A 109 VAL HGx% 1.0 1.933 7.539 686 387 A 104 GLU HBx A 104 GLU HBy 1.0 1.231 1.809 687 388 A 104 GLU HBy A 101 ALA HA 1.0 1.899 4.299 688 389 A 104 GLU HGx A 104 GLU HGy 1.0 1.622 2.900 689 390 A 104 GLU HGx A 104 GLU HA 1.0 1.923 7.637 690 391 A 104 GLU HGx A 104 GLU HBy 1.0 1.999 6.217 691 392 A 104 GLU HGy A 104 GLU HBy 1.0 1.997 5.715 692 393 A 103 TRP HBy A 103 TRP HA 1.0 1.995 6.435 693 394 A 103 TRP HBy A 103 TRP HBx 1.0 1.612 2.862 694 395 A 102 ALA HB% A 103 TRP HD1 1.0 1.936 7.496 695 396 A 101 ALA HA A 101 ALA HB% 1.0 1.501 2.503 696 397 A 102 ALA HA A 101 ALA HB% 1.0 1.801 6.000 697 398 A 100 LEU HA A 99 LYS HBy 1.0 1.857 4.003 698 399 A 100 LEU HA A 100 LEU HG 1.0 1.924 4.516 699 400 A 100 LEU HA A 100 LEU HDx% 1.0 1.843 3.915 700 401 A 100 LEU HA A 103 TRP HZ3 1.0 1.483 10.585 701 402 A 100 LEU HA A 103 TRP HE3 1.0 1.857 4.007 702 403 A 100 LEU HDx% A 100 LEU HDy% 1.0 1.222 6.000 703 404 A 100 LEU HA A 100 LEU HDy% 1.0 1.977 5.155 704 405 A 102 ALA HB% A 99 LYS HA 1.0 1.624 2.908 705 406 A 99 LYS HBy A 99 LYS HA 1.0 1.774 3.536 706 407 A 99 LYS HBy A 99 LYS HBx 1.0 1.172 1.680 707 408 A 99 LYS HA A 99 LYS HBx 1.0 1.864 4.056 708 409 A 97 PRO HA A 28 LEU HDy% 1.0 2.000 6.108 709 410 A 97 PRO HBx A 28 LEU HDy% 1.0 1.971 5.071 710 411 A 96 LEU HA A 96 LEU HDx% 1.0 1.852 8.326 711 412 A 96 LEU HBx A 96 LEU HDy% 1.0 1.958 4.888 712 413 A 96 LEU HBy A 93 LEU HA 1.0 1.999 5.791 713 414 A 96 LEU HA A 96 LEU HBx 1.0 1.884 8.042 714 415 A 96 LEU HA A 96 LEU HBy 1.0 1.759 3.465 715 416 A 96 LEU HG A 96 LEU HBy 1.0 1.797 3.651 716 417 A 96 LEU HG A 93 LEU HA 1.0 1.751 3.429 717 418 A 96 LEU HA A 96 LEU HDy% 1.0 1.724 3.306 718 419 A 21 ILE HA A 96 LEU HDx% 1.0 2.000 5.946 719 420 A 96 LEU HBx A 96 LEU HDx% 1.0 1.396 2.206 720 421 A 95 ALA HB% A 95 ALA HA 1.0 1.653 3.017 721 422 A 92 TYR HA A 95 ALA HB% 1.0 1.814 3.750 722 423 A 93 LEU HG A 93 LEU HA 1.0 1.563 6.000 723 424 A 93 LEU HBy A 93 LEU HBx 1.0 1.459 2.379 724 425 A 93 LEU HA A 93 LEU HBx 1.0 1.998 6.250 725 426 A 93 LEU HA A 93 LEU HBy 1.0 1.949 4.771 726 427 A 93 LEU HG A 93 LEU HBx 1.0 1.684 3.134 727 428 A 93 LEU HG A 93 LEU HBy 1.0 1.926 4.540 728 429 A 93 LEU HDy% A 93 LEU HA 1.0 1.852 3.976 729 430 A 92 TYR HA A 92 TYR HEy 1.0 1.795 8.763 730 430 A 92 TYR HA A 92 TYR HEx 1.0 1.795 8.763 731 431 A 92 TYR HA A 92 TYR HBx 1.0 1.937 4.643 732 432 A 92 TYR HA A 92 TYR HBy 1.0 1.984 5.302 733 433 A 92 TYR HBx A 92 TYR HDy 1.0 1.982 6.770 734 433 A 92 TYR HBx A 92 TYR HDx 1.0 1.982 6.770 735 434 A 90 GLU HA A 93 LEU HG 1.0 1.668 3.074 736 435 A 90 GLU HBx A 87 ALA HA 1.0 1.914 4.428 737 436 A 89 PHE HBx A 89 PHE HA 1.0 1.808 3.718 738 437 A 89 PHE HBy A 89 PHE HA 1.0 1.933 4.609 739 438 A 89 PHE HBx A 89 PHE HBy 1.0 1.643 2.979 740 439 A 89 PHE HBy A 80 LEU HDy% 1.0 2.000 5.966 741 440 A 89 PHE HDy A 93 LEU HG 1.0 1.975 6.907 742 440 A 89 PHE HDx A 93 LEU HG 1.0 1.975 6.907 743 441 A 88 ARG HA A 91 ARG HBx 1.0 1.807 3.707 744 442 A 89 PHE HBy A 86 ALA HA 1.0 1.994 5.562 745 443 A 89 PHE HBx A 86 ALA HA 1.0 2.000 5.848 746 444 A 89 PHE HDy A 86 ALA HA 1.0 1.943 7.415 747 444 A 89 PHE HDx A 86 ALA HA 1.0 1.943 7.415 748 445 A 89 PHE HBx A 86 ALA HB% 1.0 2.000 5.934 749 446 A 86 ALA HA A 86 ALA HB% 1.0 1.721 3.289 750 447 A 85 GLY HAx A 85 GLY HAy 1.0 1.591 2.791 751 448 A 80 LEU HDy% A 85 GLY HAy 1.0 1.954 4.832 752 449 A 80 LEU HDy% A 85 GLY HAx 1.0 1.994 6.448 753 450 A 84 ASP HBy A 84 ASP HA 1.0 1.961 4.925 754 451 A 84 ASP HBx A 84 ASP HA 1.0 1.901 4.315 755 452 A 84 ASP HBx A 84 ASP HBy 1.0 1.395 2.207 756 453 A 83 ALA HA A 84 ASP HA 1.0 1.895 7.945 757 454 A 83 ALA HA A 83 ALA HB% 1.0 1.645 2.985 758 455 A 83 ALA HB% A 84 ASP HA 1.0 1.982 6.774 759 456 A 82 GLU HA A 82 GLU HBx 1.0 1.993 5.545 760 457 A 82 GLU HBy A 82 GLU HBx 1.0 1.364 2.126 761 458 A 82 GLU HA A 82 GLU HBy 1.0 1.953 4.829 762 459 A 82 GLU HGx A 82 GLU HGy 1.0 1.157 6.000 763 460 A 82 GLU HGx A 82 GLU HBx 1.0 1.610 2.856 764 461 A 82 GLU HBx A 82 GLU HGy 1.0 1.597 2.813 765 462 A 82 GLU HA A 82 GLU HGy 1.0 1.985 5.335 766 463 A 82 GLU HA A 82 GLU HGx 1.0 1.965 4.973 767 464 A 81 MET HGy A 81 MET HGx 1.0 1.743 3.391 768 465 A 81 MET HA A 81 MET HGx 1.0 0.855 13.201 769 466 A 81 MET HA A 81 MET HGy 1.0 1.865 8.207 770 467 A 78 GLU HA A 81 MET HGx 1.0 1.920 4.482 771 468 A 80 LEU HA A 85 GLY HAx 1.0 1.868 4.080 772 469 A 80 LEU HBy A 80 LEU HBx 1.0 1.749 3.415 773 470 A 80 LEU HBy A 80 LEU HDy% 1.0 1.934 4.616 774 471 A 80 LEU HA A 80 LEU HBx 1.0 1.998 5.738 775 472 A 80 LEU HG A 80 LEU HDy% 1.0 1.892 4.248 776 473 A 80 LEU HDx% A 77 ILE HA 1.0 1.743 3.391 777 474 A 80 LEU HDy% A 80 LEU HBx 1.0 1.855 3.985 778 475 A 88 ARG HBx A 80 LEU HDy% 1.0 1.942 4.698 779 476 A 89 PHE HA A 80 LEU HDy% 1.0 2.000 5.860 780 477 A 80 LEU HDy% A 128 PHE HEy 1.0 1.998 6.284 781 477 A 80 LEU HDy% A 128 PHE HEx 1.0 1.998 6.284 782 478 A 80 LEU HDy% A 128 PHE HDx 1.0 1.934 4.620 783 478 A 80 LEU HDy% A 128 PHE HDy 1.0 1.934 4.620 784 479 A 89 PHE HDx A 80 LEU HDy% 1.0 2.000 5.878 785 479 A 89 PHE HDy A 80 LEU HDy% 1.0 2.000 5.878 786 480 A 81 MET HGy A 78 GLU HA 1.0 1.996 5.646 787 481 A 78 GLU HA A 78 GLU HGy 1.0 1.992 6.508 788 482 A 78 GLU HBy A 78 GLU HA 1.0 1.916 4.440 789 483 A 78 GLU HA A 9 THR HG2% 1.0 1.905 4.359 790 484 A 77 ILE HG2% A 78 GLU HA 1.0 1.944 7.386 791 485 A 78 GLU HBx A 78 GLU HA 1.0 1.856 3.996 792 486 A 78 GLU HA A 78 GLU HGx 1.0 1.819 3.775 793 487 A 77 ILE HA A 77 ILE HG1x 1.0 1.999 6.243 794 488 A 77 ILE HD1% A 77 ILE HB 1.0 1.840 3.898 795 489 A 77 ILE HG1x A 77 ILE HG1y 1.0 1.772 3.524 796 490 A 77 ILE HG1x A 128 PHE HZ 1.0 1.894 7.942 797 491 A 77 ILE HG2% A 77 ILE HB 1.0 1.802 3.678 798 492 A 77 ILE HG2% A 13 PHE HBy 1.0 1.753 3.439 799 493 A 77 ILE HG2% A 10 ALA HA 1.0 2.000 6.128 800 494 A 13 PHE HDy A 77 ILE HG2% 1.0 2.000 5.990 801 494 A 13 PHE HDx A 77 ILE HG2% 1.0 2.000 5.990 802 495 A 77 ILE HD1% A 77 ILE HG1x 1.0 1.710 3.244 803 496 A 77 ILE HD1% A 72 TRP HBy 1.0 1.997 5.693 804 497 A 77 ILE HB A 74 THR HA 1.0 1.701 3.207 805 498 A 74 THR HA A 74 THR HG2% 1.0 1.866 4.064 806 499 A 77 ILE HD1% A 74 THR HA 1.0 1.937 4.647 807 500 A 74 THR HA A 74 THR HB 1.0 1.931 4.589 808 501 A 74 THR HG2% A 74 THR HB 1.0 1.546 2.644 809 502 A 77 ILE HD1% A 74 THR HG2% 1.0 1.944 4.718 810 503 A 73 ASN HA A 73 ASN HBy 1.0 1.635 2.949 811 504 A 126 LEU HDy% A 72 TRP HA 1.0 1.677 9.535 812 505 A 72 TRP HBy A 72 TRP HBx 1.0 1.730 3.332 813 506 A 77 ILE HD1% A 72 TRP HBx 1.0 1.999 6.235 814 507 A 72 TRP HBy A 72 TRP HA 1.0 1.101 12.265 815 508 A 72 TRP HBx A 72 TRP HE3 1.0 1.958 7.212 816 509 A 72 TRP HA A 72 TRP HD1 1.0 1.995 5.613 817 510 A 72 TRP HZ2 A 72 TRP HH2 1.0 1.296 6.000 818 511 A 126 LEU HDx% A 72 TRP HZ2 1.0 1.814 8.628 819 512 A 72 TRP HZ2 A 72 TRP HZ3 1.0 0.143 15.567 820 513 A 72 TRP HH2 A 49 VAL HGx% 1.0 1.814 3.744 821 514 A 71 THR HA A 71 THR HG2% 1.0 1.940 4.684 822 515 A 72 TRP HE3 A 71 THR HA 1.0 1.984 5.300 823 516 A 71 THR HB A 71 THR HA 1.0 1.897 4.285 824 517 A 71 THR HB A 71 THR HG2% 1.0 1.677 3.107 825 518 A 35 THR HG2% A 35 THR HA 1.0 1.355 6.000 826 519 A 70 LEU HBy A 70 LEU HBx 1.0 1.475 2.429 827 520 A 70 LEU HBy A 70 LEU HG 1.0 1.975 5.141 828 521 A 70 LEU HDy% A 70 LEU HBy 1.0 1.999 6.183 829 522 A 126 LEU HDx% A 70 LEU HBy 1.0 1.943 4.715 830 523 A 70 LEU HBy A 70 LEU HA 1.0 1.981 5.235 831 524 A 70 LEU HBx A 70 LEU HA 1.0 1.947 7.359 832 525 A 69 ALA HA A 70 LEU HG 1.0 1.810 8.656 833 526 A 70 LEU HA A 70 LEU HG 1.0 1.992 6.536 834 527 A 70 LEU HDx% A 70 LEU HG 1.0 1.318 6.000 835 528 A 123 LEU HD11 A 70 LEU HDy% 1.0 1.209 6.000 836 529 A 70 LEU HDy% A 70 LEU HDx% 1.0 1.226 6.000 837 530 A 70 LEU HDy% A 123 LEU HG 1.0 1.631 6.000 838 531 A 70 LEU HDy% A 70 LEU HBx 1.0 1.771 3.523 839 532 A 70 LEU HDy% A 70 LEU HA 1.0 1.958 4.882 840 533 A 70 LEU HDy% A 103 TRP HZ3 1.0 1.795 3.645 841 534 A 68 LEU HDy% A 70 LEU HDx% 1.0 1.612 2.862 842 535 A 70 LEU HDx% A 103 TRP HH2 1.0 1.970 7.008 843 536 A 69 ALA HB% A 69 ALA HA 1.0 1.605 2.841 844 537 A 68 LEU HA A 69 ALA HB% 1.0 1.954 7.252 845 538 A 68 LEU HA A 68 LEU HG 1.0 1.918 4.454 846 539 A 68 LEU HA A 68 LEU HDx% 1.0 1.834 3.860 847 540 A 68 LEU HA A 68 LEU HDy% 1.0 2.000 6.012 848 541 A 68 LEU HBx A 68 LEU HDx% 1.0 1.550 2.656 849 542 A 68 LEU HBy A 51 ILE HB 1.0 1.850 3.956 850 543 A 68 LEU HA A 68 LEU HBy 1.0 1.973 5.111 851 544 A 68 LEU HA A 68 LEU HBx 1.0 1.812 3.736 852 545 A 68 LEU HG A 68 LEU HDx% 1.0 1.485 2.457 853 546 A 123 LEU HDy% A 68 LEU HDx% 1.0 1.761 3.475 854 547 A 123 LEU HD11 A 68 LEU HDx% 1.0 1.672 3.088 855 548 A 111 PHE HEy A 68 LEU HDy% 1.0 1.995 6.399 856 548 A 111 PHE HEx A 68 LEU HDy% 1.0 1.995 6.399 857 549 A 68 LEU HDy% A 51 ILE HB 1.0 1.855 3.991 858 550 A 68 LEU HBy A 68 LEU HDy% 1.0 1.533 2.601 859 551 A 67 ASN HA A 67 ASN HBx 1.0 1.979 5.203 860 552 A 67 ASN HBx A 67 ASN HBy 1.0 1.498 2.492 861 553 A 67 ASN HA A 67 ASN HBy 1.0 1.867 4.069 862 554 A 66 LEU HBx A 66 LEU HBy 1.0 1.422 2.276 863 555 A 66 LEU HA A 66 LEU HBy 1.0 1.870 4.092 864 556 A 66 LEU HDy% A 66 LEU HBy 1.0 1.528 2.586 865 557 A 111 PHE HDy A 66 LEU HDx% 1.0 1.990 5.446 866 557 A 111 PHE HDx A 66 LEU HDx% 1.0 1.990 5.446 867 558 A 66 LEU HDx% A 111 PHE HA 1.0 1.956 4.866 868 559 A 66 LEU HA A 66 LEU HDx% 1.0 1.940 4.678 869 560 A 64 HIS HBx A 64 HIS HBy 1.0 1.517 2.551 870 561 A 64 HIS HBx A 64 HIS HA 1.0 1.993 6.487 871 562 A 64 HIS HBy A 64 HIS HA 1.0 1.666 3.064 872 563 A 119 ALA HA A 64 HIS HD2 1.0 1.864 8.226 873 564 A 64 HIS HBx A 64 HIS HD2 1.0 1.882 4.174 874 565 A 64 HIS HD2 A 63 ALA HB% 1.0 1.976 5.152 875 566 A 63 ALA HB% A 63 ALA HA 1.0 1.450 2.354 876 567 A 62 TYR HA A 62 TYR HBy 1.0 1.996 6.348 877 568 A 62 TYR HBy A 62 TYR HBx 1.0 1.561 2.691 878 569 A 62 TYR HA A 62 TYR HBx 1.0 1.930 4.574 879 570 A 117 ALA HA A 62 TYR HDy 1.0 1.954 4.834 880 570 A 117 ALA HA A 62 TYR HDx 1.0 1.954 4.834 881 571 A 117 ALA HB% A 62 TYR HDy 1.0 1.885 8.033 882 571 A 117 ALA HB% A 62 TYR HDx 1.0 1.885 8.033 883 572 A 61 GLY HAx A 61 GLY HAy 1.0 1.450 2.356 884 573 A 60 ARG HBx A 60 ARG HGy 1.0 1.320 6.000 885 574 A 60 ARG HBy A 60 ARG HGy 1.0 1.562 2.692 886 575 A 60 ARG HA A 60 ARG HBx 1.0 1.880 4.156 887 576 A 60 ARG HA A 60 ARG HBy 1.0 1.869 4.083 888 577 A 38 VAL HA A 38 VAL HGy% 1.0 1.663 3.055 889 578 A 38 VAL HB A 38 VAL HGy% 1.0 1.492 2.474 890 579 A 58 HIS HD2 A 58 HIS HE1 1.0 1.977 6.867 891 580 A 56 ALA HA A 56 ALA HB% 1.0 1.323 6.000 892 581 A 54 PRO HA A 54 PRO HBx 1.0 1.731 3.335 893 582 A 54 PRO HBy A 54 PRO HBx 1.0 1.513 2.539 894 583 A 54 PRO HA A 54 PRO HBy 1.0 1.966 4.996 895 584 A 53 ALA HA A 33 ALA HA 1.0 1.652 3.008 896 585 A 52 VAL HA A 52 VAL HB 1.0 1.953 4.819 897 586 A 52 VAL HB A 51 ILE HA 1.0 1.806 8.686 898 587 A 52 VAL HGy% A 52 VAL HB 1.0 1.420 2.272 899 588 A 52 VAL HGy% A 52 VAL HA 1.0 1.798 3.660 900 589 A 67 ASN HA A 52 VAL HGy% 1.0 1.843 3.919 901 590 A 52 VAL HGx% A 52 VAL HA 1.0 1.906 4.358 902 591 A 67 ASN HA A 52 VAL HGx% 1.0 1.998 6.242 903 592 A 51 ILE HG1x A 51 ILE HA 1.0 1.777 3.549 904 593 A 68 LEU HBx A 51 ILE HB 1.0 1.972 5.084 905 594 A 51 ILE HB A 51 ILE HG1x 1.0 1.946 7.374 906 595 A 111 PHE HEx A 51 ILE HG2% 1.0 1.954 4.828 907 595 A 51 ILE HG2% A 111 PHE HEy 1.0 1.954 4.828 908 596 A 51 ILE HG2% A 51 ILE HB 1.0 1.723 3.303 909 597 A 51 ILE HG2% A 53 ALA HB% 1.0 1.574 6.000 910 598 A 51 ILE HG2% A 51 ILE HG1x 1.0 1.453 2.363 911 599 A 50 ARG HA A 69 ALA HA 1.0 1.695 3.179 912 600 A 50 ARG HA A 51 ILE HG1y 1.0 1.920 4.482 913 601 A 50 ARG HA A 69 ALA HB% 1.0 1.911 7.781 914 602 A 49 VAL HB A 49 VAL HA 1.0 1.995 6.391 915 603 A 49 VAL HB A 49 VAL HGy% 1.0 1.783 3.583 916 604 A 49 VAL HA A 49 VAL HGy% 1.0 1.597 2.809 917 605 A 49 VAL HGy% A 22 ALA HA 1.0 1.887 4.213 918 606 A 49 VAL HGx% A 49 VAL HGy% 1.0 1.340 2.062 919 607 A 49 VAL HGx% A 49 VAL HA 1.0 1.952 4.810 920 608 A 49 VAL HB A 49 VAL HGx% 1.0 1.803 3.687 921 609 A 70 LEU HBy A 49 VAL HGx% 1.0 1.841 3.905 922 610 A 48 GLN HA A 70 LEU HBx 1.0 1.904 7.848 923 611 A 48 GLN HA A 71 THR HG2% 1.0 1.999 6.145 924 612 A 47 THR HA A 47 THR HG2% 1.0 1.861 4.031 925 613 A 47 THR HB A 47 THR HG2% 1.0 1.788 3.608 926 614 A 47 THR HG2% A 18 ALA HB% 1.0 1.213 6.000 927 615 A 37 VAL HGx% A 47 THR HG2% 1.0 1.220 6.000 928 616 A 46 PRO HA A 46 PRO HBy 1.0 1.956 4.852 929 617 A 46 PRO HGy A 46 PRO HA 1.0 1.765 8.973 930 618 A 40 TYR HA A 40 TYR HDy 1.0 1.910 4.392 931 618 A 40 TYR HA A 40 TYR HDx 1.0 1.910 4.392 932 619 A 46 PRO HBx A 46 PRO HBy 1.0 1.669 3.075 933 620 A 71 THR HG2% A 46 PRO HBy 1.0 1.408 10.942 934 621 A 46 PRO HBx A 71 THR HG2% 1.0 1.993 5.511 935 622 A 46 PRO HGy A 46 PRO HBy 1.0 1.870 4.092 936 623 A 46 PRO HBx A 46 PRO HA 1.0 1.922 4.498 937 624 A 46 PRO HBy A 46 PRO HGx 1.0 1.841 3.907 938 625 A 43 HIS HA A 43 HIS HE1 1.0 1.817 8.603 939 626 A 43 HIS HBy A 43 HIS HBx 1.0 1.502 2.508 940 627 A 43 HIS HA A 43 HIS HBy 1.0 1.995 5.603 941 628 A 43 HIS HA A 43 HIS HBx 1.0 1.997 5.725 942 629 A 42 GLY HAy A 42 GLY HAx 1.0 1.513 2.539 943 630 A 45 HIS HD2 A 45 HIS HE1 1.0 1.971 6.989 944 631 A 45 HIS HA A 45 HIS HD2 1.0 1.783 8.851 945 632 A 45 HIS HBy A 45 HIS HD2 1.0 1.993 5.549 946 633 A 44 GLY HAx A 44 GLY HAy 1.0 1.210 1.764 947 634 A 41 GLY HAx A 41 GLY HAy 1.0 1.681 3.125 948 635 A 40 TYR HA A 40 TYR HBy 1.0 1.869 4.083 949 636 A 40 TYR HBy A 40 TYR HBx 1.0 1.700 3.202 950 637 A 40 TYR HA A 40 TYR HBx 1.0 1.870 4.086 951 638 A 38 VAL HB A 38 VAL HGx% 1.0 1.229 6.000 952 639 A 38 VAL HGy% A 38 VAL HGx% 1.0 1.211 6.000 953 640 A 38 VAL HA A 38 VAL HGx% 1.0 1.696 3.186 954 641 A 37 VAL HGy% A 22 ALA HB% 1.0 1.216 6.000 955 642 A 37 VAL HGy% A 37 VAL HB 1.0 1.499 2.495 956 643 A 37 VAL HGy% A 19 PRO HA 1.0 1.743 3.389 957 644 A 37 VAL HGy% A 37 VAL HA 1.0 1.745 3.399 958 645 A 36 ASP HA A 36 ASP HBx 1.0 1.962 4.938 959 646 A 36 ASP HA A 36 ASP HBy 1.0 1.939 4.667 960 647 A 35 THR HB A 22 ALA HA 1.0 1.982 5.260 961 648 A 35 THR HB A 22 ALA HB% 1.0 1.852 3.972 962 649 A 35 THR HB A 35 THR HG2% 1.0 1.729 3.327 963 650 A 34 HIS HA A 35 THR HG2% 1.0 1.828 3.828 964 651 A 34 HIS HA A 34 HIS HBy 1.0 1.953 4.819 965 652 A 34 HIS HA A 34 HIS HBx 1.0 2.000 5.966 966 653 A 33 ALA HA A 53 ALA HB% 1.0 1.995 5.609 967 654 A 32 ARG HBx A 32 ARG HA 1.0 1.928 4.562 968 655 A 32 ARG HA A 32 ARG HBy 1.0 1.901 4.319 969 656 A 32 ARG HGy A 32 ARG HA 1.0 1.808 3.712 970 657 A 32 ARG HGx A 32 ARG HA 1.0 1.997 6.289 971 658 A 32 ARG HA A 31 HIS HA 1.0 1.992 5.508 972 659 A 31 HIS HA A 31 HIS HBx 1.0 1.974 5.120 973 660 A 27 ASP HA A 31 HIS HBx 1.0 1.818 8.592 974 661 A 31 HIS HA A 31 HIS HBy 1.0 1.846 3.934 975 662 A 31 HIS HBx A 31 HIS HBy 1.0 1.366 2.130 976 663 A 31 HIS HA A 31 HIS HD2 1.0 1.987 5.383 977 664 A 27 ASP HA A 31 HIS HE1 1.0 1.918 7.708 978 665 A 31 HIS HD2 A 30 ASN HA 1.0 1.999 6.123 979 666 A 30 ASN HBx A 30 ASN HBy 1.0 1.255 1.861 980 667 A 32 ARG HGx A 30 ASN HBx 1.0 1.952 4.806 981 668 A 32 ARG HGy A 30 ASN HBy 1.0 1.857 8.279 982 669 A 30 ASN HA A 30 ASN HBx 1.0 1.985 5.321 983 670 A 29 LEU HA A 29 LEU HG 1.0 1.847 3.939 984 671 A 29 LEU HBx A 29 LEU HG 1.0 1.494 2.482 985 672 A 29 LEU HA A 29 LEU HBy 1.0 1.997 5.703 986 673 A 29 LEU HA A 29 LEU HBx 1.0 1.989 6.617 987 674 A 29 LEU HBy A 29 LEU HG 1.0 1.737 3.361 988 675 A 29 LEU HA A 29 LEU HDy% 1.0 1.853 3.977 989 676 A 28 LEU HA A 28 LEU HBx 1.0 1.906 4.360 990 677 A 28 LEU HBy A 28 LEU HA 1.0 1.987 5.357 991 678 A 28 LEU HBy A 28 LEU HBx 1.0 1.302 1.972 992 679 A 28 LEU HBx A 28 LEU HDx% 1.0 1.652 3.012 993 680 A 28 LEU HBy A 28 LEU HDy% 1.0 1.722 3.294 994 681 A 28 LEU HG A 28 LEU HDx% 1.0 1.535 2.607 995 682 A 28 LEU HDy% A 28 LEU HG 1.0 1.860 4.024 996 683 A 28 LEU HG A 28 LEU HA 1.0 1.965 4.979 997 684 A 28 LEU HA A 28 LEU HDx% 1.0 1.834 3.862 998 685 A 27 ASP HA A 31 HIS HD2 1.0 1.998 6.256 999 686 A 27 ASP HBx A 27 ASP HBy 1.0 1.241 1.829 1000 687 A 27 ASP HBx A 27 ASP HA 1.0 1.970 5.054 1001 688 A 27 ASP HBy A 27 ASP HA 1.0 1.723 3.297 1002 689 A 26 ALA HA A 26 ALA HB% 1.0 1.529 2.587 1003 690 A 25 ILE HA A 24 ALA HB% 1.0 1.882 4.172 1004 691 A 25 ILE HA A 25 ILE HG2% 1.0 1.686 3.146 1005 692 A 25 ILE HA A 25 ILE HB 1.0 1.984 5.298 1006 693 A 25 ILE HG2% A 25 ILE HD1% 1.0 1.321 2.017 1007 694 A 25 ILE HB A 25 ILE HG2% 1.0 1.576 2.740 1008 695 A 24 ALA HB% A 24 ALA HA 1.0 1.519 2.557 1009 696 A 22 ALA HB% A 35 THR HA 1.0 1.625 9.837 1010 697 A 21 ILE HA A 24 ALA HB% 1.0 1.786 3.594 1011 698 A 21 ILE HB A 21 ILE HG2% 1.0 1.664 3.058 1012 699 A 21 ILE HB A 21 ILE HD1% 1.0 1.864 4.056 1013 700 A 21 ILE HG1y A 21 ILE HG2% 1.0 1.486 2.458 1014 701 A 21 ILE HD1% A 89 PHE HZ 1.0 1.927 4.545 1015 702 A 89 PHE HEx A 21 ILE HD1% 1.0 1.979 5.207 1016 702 A 89 PHE HEy A 21 ILE HD1% 1.0 1.979 5.207 1017 703 A 21 ILE HD1% A 13 PHE HZ 1.0 2.000 5.922 1018 704 A 21 ILE HD1% A 128 PHE HEy 1.0 1.997 6.321 1019 704 A 21 ILE HD1% A 128 PHE HEx 1.0 1.997 6.321 1020 705 A 21 ILE HA A 21 ILE HD1% 1.0 1.876 8.116 1021 706 A 21 ILE HD1% A 21 ILE HG2% 1.0 1.796 3.646 1022 707 A 72 TRP HZ2 A 21 ILE HG2% 1.0 1.816 3.758 1023 708 A 72 TRP HH2 A 21 ILE HG2% 1.0 1.693 3.173 1024 709 A 92 TYR HEx A 21 ILE HG2% 1.0 1.945 4.731 1025 709 A 92 TYR HEy A 21 ILE HG2% 1.0 1.945 4.731 1026 710 A 21 ILE HA A 21 ILE HG2% 1.0 1.884 4.188 1027 711 A 22 ALA HB% A 19 PRO HA 1.0 1.869 4.083 1028 712 A 19 PRO HA A 19 PRO HBx 1.0 1.879 4.155 1029 713 A 19 PRO HA A 19 PRO HBy 1.0 2.000 6.010 1030 714 A 19 PRO HBx A 19 PRO HBy 1.0 1.588 2.782 1031 715 A 18 ALA HB% A 18 ALA HA 1.0 1.707 3.229 1032 716 A 18 ALA HB% A 14 ASP HA 1.0 1.884 4.190 1033 717 A 17 PHE HA A 17 PHE HBx 1.0 1.940 4.668 1034 718 A 13 PHE HDy A 17 PHE HBy 1.0 1.999 5.793 1035 718 A 13 PHE HDx A 17 PHE HBy 1.0 1.999 5.793 1036 719 A 17 PHE HZ A 17 PHE HBx 1.0 1.991 6.521 1037 720 A 17 PHE HBy A 17 PHE HEy 1.0 1.794 8.770 1038 720 A 17 PHE HBy A 17 PHE HEx 1.0 1.794 8.770 1039 721 A 17 PHE HA A 17 PHE HBy 1.0 1.944 7.402 1040 722 A 13 PHE HDy A 17 PHE HDy 1.0 1.993 6.471 1041 722 A 13 PHE HDy A 17 PHE HDx 1.0 1.993 6.471 1042 722 A 13 PHE HDx A 17 PHE HDx 1.0 1.993 6.471 1043 722 A 13 PHE HDx A 17 PHE HDy 1.0 1.993 6.471 1044 723 A 16 GLU HA A 16 GLU HGy 1.0 1.606 2.844 1045 724 A 16 GLU HA A 16 GLU HBx 1.0 1.813 3.743 1046 725 A 16 GLU HBy A 16 GLU HBx 1.0 1.374 2.148 1047 726 A 16 GLU HGy A 16 GLU HBx 1.0 1.957 4.879 1048 727 A 16 GLU HGx A 16 GLU HGy 1.0 1.452 2.358 1049 728 A 16 GLU HGx A 16 GLU HBx 1.0 1.764 3.490 1050 729 A 16 GLU HA A 16 GLU HGx 1.0 1.992 5.504 1051 730 A 15 THR HB A 15 THR HG2% 1.0 1.500 2.500 1052 731 A 14 ASP HBx A 14 ASP HBy 1.0 1.384 2.176 1053 732 A 13 PHE HDy A 13 PHE HA 1.0 1.949 4.771 1054 732 A 13 PHE HDx A 13 PHE HA 1.0 1.949 4.771 1055 733 A 13 PHE HA A 17 PHE HDy 1.0 1.994 6.434 1056 733 A 13 PHE HA A 17 PHE HDx 1.0 1.994 6.434 1057 734 A 13 PHE HA A 13 PHE HBx 1.0 2.000 5.880 1058 735 A 13 PHE HA A 13 PHE HBy 1.0 1.985 5.309 1059 736 A 13 PHE HA A 17 PHE HBx 1.0 1.829 3.829 1060 737 A 13 PHE HA A 17 PHE HBy 1.0 1.889 7.993 1061 738 A 13 PHE HBy A 13 PHE HBx 1.0 1.120 6.000 1062 739 A 12 ARG HA A 12 ARG HBy 1.0 1.751 3.429 1063 740 A 12 ARG HA A 12 ARG HBx 1.0 1.835 3.867 1064 741 A 11 ARG HA A 11 ARG HBx 1.0 1.826 3.816 1065 742 A 11 ARG HA A 11 ARG HBy 1.0 1.275 6.000 1066 743 A 114 ARG HGy A 111 PHE HA 1.0 1.992 5.494 1067 744 A 10 ALA HA A 13 PHE HBx 1.0 1.994 5.602 1068 745 A 13 PHE HBy A 10 ALA HA 1.0 1.595 10.001 1069 746 A 7 PRO HA A 10 ALA HB% 1.0 1.917 4.451 1070 747 A 12 ARG HBy A 9 THR HA 1.0 1.776 3.546 1071 748 A 9 THR HA A 9 THR HB 1.0 1.769 3.511 1072 749 A 9 THR HG2% A 9 THR HB 1.0 1.690 3.160 1073 750 A 8 ASP HA A 8 ASP HBy 1.0 1.815 3.757 1074 751 A 8 ASP HA A 11 ARG HBx 1.0 1.678 3.112 1075 752 A 7 PRO HA A 7 PRO HGy 1.0 1.932 4.598 1076 753 A 7 PRO HBy A 7 PRO HA 1.0 1.847 3.939 1077 754 A 6 SER HA A 7 PRO HA 1.0 1.986 5.332 1078 755 A 6 SER HA A 6 SER HBy 1.0 1.902 4.322 1079 756 A 6 SER HA A 7 PRO HGy 1.0 1.536 10.316 1080 757 A 7 PRO HBx A 7 PRO HBy 1.0 1.288 1.938 1081 758 A 7 PRO HBx A 7 PRO HA 1.0 1.670 3.082 1082 759 A 6 SER HBx A 6 SER HBy 1.0 0.991 6.000 1083 760 A 6 SER HA A 6 SER HBx 1.0 1.979 5.209 1084 761 A 7 PRO HGy A 6 SER HBy 1.0 1.459 10.701 1085 762 A 6 SER HBx A 7 PRO HGy 1.0 0.328 14.986 1086 763 A 3 MET HA A 3 MET HGy 1.0 1.999 6.151 1087 764 A 3 MET HA A 3 MET HBx 1.0 1.965 4.985 1088 765 A 3 MET HA A 3 MET HBy 1.0 1.863 4.045 1089 766 A 3 MET HA A 3 MET HGx 1.0 1.997 6.313 1090 767 A 2 ALA HA A 2 ALA HB% 1.0 1.753 3.437 1091 768 A 89 PHE HBx A 80 LEU HDy% 1.0 1.838 3.886 1092 769 A 80 LEU HDy% A 128 PHE HBx 1.0 1.993 6.477 1093 770 A 100 LEU HDx% A 100 LEU HG 1.0 1.426 2.288 1094 771 A 103 TRP HZ3 A 96 LEU HDy% 1.0 1.924 7.636 1095 772 A 25 ILE HB A 22 ALA HA 1.0 1.705 3.223 1096 773 A 77 ILE HG2% A 13 PHE HBx 1.0 1.952 4.814 1097 774 A 80 LEU HDx% A 77 ILE HG1y 1.0 1.982 5.276 1098 775 A 127 ASP HBx A 127 ASP HA 1.0 1.928 4.556 1099 776 A 122 LEU HDy% A 122 LEU HA 1.0 1.773 3.531 1100 777 A 122 LEU HBx A 122 LEU HA 1.0 1.788 3.606 1101 778 A 116 GLN HA A 116 GLN HBy 1.0 1.999 6.205 1102 779 A 51 ILE HG2% A 35 THR HG2% 1.0 1.433 2.309 1103 780 A 96 LEU HG A 93 LEU HDy% 1.0 1.933 4.599 1104 781 A 25 ILE HA A 28 LEU HBx 1.0 1.977 5.153 1105 782 A 70 LEU HDy% A 68 LEU HG 1.0 1.943 4.705 1106 783 A 117 ALA HB% A 62 TYR HEx 1.0 1.993 6.475 1107 783 A 117 ALA HB% A 62 TYR HEy 1.0 1.993 6.475 1108 784 A 68 LEU HBx A 121 VAL HGx% 1.0 1.578 2.746 1109 785 A 123 LEU HBy A 70 LEU HA 1.0 1.997 6.275 1110 786 A 120 LEU HG A 120 LEU HDy% 1.0 1.299 6.000 1111 787 A 96 LEU HA A 99 LYS HBx 1.0 1.989 5.417 1112 788 A 37 VAL HGx% A 19 PRO HGx 1.0 1.917 4.445 1113 789 A 90 GLU HA A 93 LEU HBx 1.0 1.973 6.957 1114 790 A 90 GLU HA A 93 LEU HBy 1.0 1.659 9.645 1115 791 A 70 LEU HDy% A 123 LEU HBx 1.0 1.947 7.361 1116 792 A 49 VAL HB A 72 TRP HZ3 1.0 1.998 5.720 1117 793 A 37 VAL HGy% A 35 THR HB 1.0 1.986 6.700 1118 794 A 37 VAL HB A 19 PRO HA 1.0 1.998 6.284 1119 795 A 49 VAL HB A 18 ALA HB% 1.0 1.949 4.777 1120 796 A 122 LEU HDy% A 69 ALA HB% 1.0 1.311 1.995 1121 797 A 104 GLU HGy A 109 VAL HB 1.0 1.982 6.782 1122 798 A 16 GLU HBy A 17 PHE HA 1.0 1.930 7.566 1123 799 A 9 THR HA A 81 MET HGx 1.0 1.993 6.475 1124 800 A 81 MET HGy A 9 THR HA 1.0 2.000 5.998 1125 801 A 89 PHE HA A 93 LEU HG 1.0 1.980 6.818 1126 802 A 121 VAL HGy% A 123 LEU HG 1.0 1.646 2.990 1127 803 A 98 ARG HA A 101 ALA HB% 1.0 1.349 6.000 1128 804 A 28 LEU HDy% A 25 ILE HA 1.0 1.950 4.778 1129 805 A 120 LEU HG A 122 LEU HG 1.0 1.440 2.326 1130 806 A 111 PHE HZ A 68 LEU HDx% 1.0 1.999 6.093 1131 807 A 103 TRP HZ2 A 99 LYS HBx 1.0 1.251 11.645 1132 808 A 103 TRP HE3 A 99 LYS HBx 1.0 1.890 7.986 1133 809 A 99 LYS HBx A 103 TRP HH2 1.0 1.253 11.635 1134 810 A 9 THR HA A 8 ASP HBy 1.0 1.817 8.601 1135 811 A 81 MET HGy A 9 THR HG2% 1.0 1.884 4.196 1136 812 A 81 MET HGx A 9 THR HG2% 1.0 2.000 5.914 1137 813 A 7 PRO HBy A 10 ALA HB% 1.0 1.999 5.837 1138 814 A 40 TYR HBx A 10 ALA HB% 1.0 1.996 6.364 1139 815 A 99 LYS HBy A 103 TRP HZ3 1.0 1.989 6.613 1140 816 A 122 LEU HDy% A 68 LEU HA 1.0 1.972 5.090 1141 817 A 68 LEU HA A 121 VAL HGy% 1.0 1.957 4.861 1142 818 A 46 PRO HA A 40 TYR HDy 1.0 1.969 7.035 1143 818 A 46 PRO HA A 40 TYR HDx 1.0 1.969 7.035 1144 819 A 52 VAL HB A 34 HIS HBx 1.0 1.949 4.779 1145 820 A 52 VAL HGy% A 50 ARG HA 1.0 1.961 7.159 1146 821 A 52 VAL HGx% A 34 HIS HBx 1.0 1.981 5.245 1147 822 A 52 VAL HGy% A 50 ARG HGx 1.0 1.813 3.743 1148 823 A 36 ASP HBx A 34 HIS HE1 1.0 0.194 15.408 1149 824 A 40 TYR HA A 10 ALA HB% 1.0 1.963 7.121 1150 825 A 40 TYR HEx A 10 ALA HB% 1.0 1.931 4.587 1151 825 A 40 TYR HEy A 10 ALA HB% 1.0 1.931 4.587 1152 826 A 114 ARG HA A 111 PHE HA 1.0 1.986 5.334 1153 827 A 34 HIS HBy A 34 HIS HD2 1.0 1.905 7.847 1154 828 A 34 HIS HBx A 34 HIS HD2 1.0 1.882 4.168 1155 829 A 35 THR HA A 51 ILE HA 1.0 1.651 3.007 1156 830 A 35 THR HA A 51 ILE HG1y 1.0 1.971 6.991 1157 831 A 51 ILE HG1x A 35 THR HA 1.0 1.974 5.110 1158 832 A 51 ILE HG2% A 35 THR HA 1.0 1.988 6.630 1159 833 A 66 LEU HBx A 52 VAL HA 1.0 1.476 10.622 1160 834 A 11 ARG HA A 14 ASP HBy 1.0 1.931 4.583 1161 835 A 40 TYR HBy A 10 ALA HB% 1.0 1.825 3.809 1162 836 A 40 TYR HDx A 10 ALA HB% 1.0 1.992 5.514 1163 836 A 40 TYR HDy A 10 ALA HB% 1.0 1.992 5.514 1164 837 A 40 TYR HEy A 44 GLY HAx 1.0 1.817 8.603 1165 837 A 40 TYR HEx A 44 GLY HAx 1.0 1.817 8.603 1166 838 A 52 VAL HGy% A 34 HIS HD2 1.0 1.998 5.804 1167 839 A 40 TYR HEy A 46 PRO HA 1.0 1.866 6.000 1168 839 A 40 TYR HEx A 46 PRO HA 1.0 1.866 6.000 1169 840 A 40 TYR HEy A 44 GLY HAy 1.0 1.787 8.823 1170 840 A 40 TYR HEx A 44 GLY HAy 1.0 1.787 8.823 1171 841 A 109 VAL HGy% A 111 PHE HZ 1.0 1.999 6.187 1172 842 A 97 PRO HA A 100 LEU HG 1.0 1.937 7.493 1173 843 A 26 ALA HA A 29 LEU HG 1.0 1.975 6.935 1174 844 A 25 ILE HA A 29 LEU HG 1.0 1.990 5.438 1175 845 A 111 PHE HBx A 29 LEU HDy% 1.0 1.869 4.079 1176 846 A 23 ARG HA A 26 ALA HB% 1.0 1.623 2.901 1177 847 A 15 THR HA A 19 PRO HGy 1.0 1.993 5.537 1178 848 A 19 PRO HGx A 15 THR HA 1.0 1.996 5.664 1179 849 A 32 ARG HGx A 30 ASN HBy 1.0 1.803 8.705 1180 850 A 111 PHE HDx A 66 LEU HDy% 1.0 1.982 5.254 1181 850 A 66 LEU HDy% A 111 PHE HDy 1.0 1.982 5.254 1182 851 A 65 PRO HA A 115 THR HA 1.0 1.933 4.601 1183 852 A 70 LEU HDy% A 25 ILE HD1% 1.0 1.547 6.000 1184 853 A 115 THR HB A 62 TYR HBx 1.0 1.845 8.389 1185 854 A 115 THR HB A 62 TYR HBy 1.0 1.911 4.401 1186 855 A 78 GLU HGx A 75 ASP HA 1.0 1.924 7.634 1187 856 A 34 HIS HBy A 53 ALA HB% 1.0 1.776 8.904 1188 857 A 106 ALA HB% A 103 TRP HA 1.0 1.924 4.520 1189 858 A 94 ALA HB% A 94 ALA HA 1.0 1.648 2.998 1190 859 A 97 PRO HA A 28 LEU HDx% 1.0 1.998 6.258 1191 860 A 72 TRP HA A 126 LEU HBx 1.0 1.943 4.709 1192 861 A 52 VAL HGx% A 54 PRO HDy 1.0 1.989 5.415 1193 862 A 77 ILE HD1% A 72 TRP H 1.0 1.969 5.033 1194 863 A 71 THR HG2% A 72 TRP H 1.0 2.000 5.964 1195 864 A 72 TRP HBx A 72 TRP H 1.0 1.999 6.183 1196 865 A 72 TRP HBy A 72 TRP H 1.0 1.918 4.466 1197 866 A 71 THR HB A 72 TRP H 1.0 1.901 4.315 1198 867 A 72 TRP HE3 A 72 TRP H 1.0 1.877 4.139 1199 868 A 71 THR HA A 72 TRP H 1.0 1.706 3.228 1200 869 A 72 TRP HA A 72 TRP H 1.0 1.944 4.720 1201 870 A 72 TRP HBy A 72 TRP HE1 1.0 1.911 7.775 1202 871 A 72 TRP HH2 A 72 TRP HE1 1.0 2.000 5.972 1203 872 A 128 PHE HDy A 72 TRP HE1 1.0 1.992 6.524 1204 872 A 128 PHE HDx A 72 TRP HE1 1.0 1.992 6.524 1205 873 A 126 LEU HBx A 72 TRP HE1 1.0 1.979 5.205 1206 874 A 126 LEU HBy A 72 TRP HE1 1.0 1.850 3.960 1207 875 A 128 PHE HEy A 72 TRP HE1 1.0 1.984 6.728 1208 875 A 128 PHE HEx A 72 TRP HE1 1.0 1.984 6.728 1209 876 A 103 TRP HD1 A 103 TRP H 1.0 1.999 5.761 1210 877 A 103 TRP H A 102 ALA H 1.0 1.752 3.432 1211 878 A 103 TRP HA A 103 TRP H 1.0 1.866 4.058 1212 879 A 103 TRP HBy A 103 TRP H 1.0 1.798 3.660 1213 880 A 103 TRP HBx A 103 TRP H 1.0 1.974 5.118 1214 881 A 102 ALA HB% A 103 TRP H 1.0 1.727 3.315 1215 882 A 47 THR HB A 47 THR H 1.0 1.757 3.457 1216 883 A 46 PRO HA A 47 THR H 1.0 1.654 3.016 1217 884 A 46 PRO HBy A 47 THR H 1.0 1.996 5.680 1218 885 A 46 PRO HBx A 47 THR H 1.0 1.984 5.298 1219 886 A 47 THR HG2% A 47 THR H 1.0 1.990 5.456 1220 887 A 48 GLN HA A 48 GLN H 1.0 1.869 4.089 1221 888 A 48 GLN HGy A 48 GLN H 1.0 1.974 5.126 1222 889 A 37 VAL HA A 48 GLN H 1.0 1.996 6.358 1223 890 A 38 VAL H A 48 GLN H 1.0 1.894 4.262 1224 891 A 47 THR HA A 48 GLN H 1.0 1.628 2.924 1225 892 A 47 THR HG2% A 48 GLN H 1.0 1.731 3.335 1226 893 A 48 GLN HA A 70 LEU H 1.0 1.932 7.538 1227 894 A 48 GLN HBy A 70 LEU H 1.0 1.995 6.425 1228 895 A 70 LEU HBx A 70 LEU H 1.0 1.689 3.157 1229 896 A 70 LEU HG A 70 LEU H 1.0 1.789 3.611 1230 897 A 69 ALA HB% A 70 LEU H 1.0 1.921 4.489 1231 898 A 70 LEU HDy% A 70 LEU H 1.0 1.992 6.514 1232 899 A 50 ARG HA A 70 LEU H 1.0 1.930 4.578 1233 900 A 69 ALA HA A 70 LEU H 1.0 1.590 2.788 1234 901 A 70 LEU HA A 70 LEU H 1.0 1.854 3.982 1235 902 A 115 THR H A 115 THR HB 1.0 1.899 4.305 1236 903 A 115 THR H A 110 ASP H 1.0 1.993 5.535 1237 904 A 115 THR H A 115 THR HA 1.0 1.913 4.423 1238 905 A 115 THR H A 110 ASP HBx 1.0 1.993 5.515 1239 906 A 3 MET HGy A 4 GLY H 1.0 1.946 7.364 1240 907 A 3 MET HA A 4 GLY H 1.0 1.953 4.819 1241 908 A 127 ASP HBy A 129 GLU H 1.0 1.934 4.612 1242 909 A 129 GLU H A 130 ALA H 1.0 1.985 6.709 1243 910 A 128 PHE HA A 129 GLU H 1.0 1.857 4.003 1244 911 A 129 GLU HBx A 129 GLU H 1.0 1.874 4.118 1245 912 A 129 GLU H A 129 GLU HBy 1.0 1.803 3.691 1246 913 A 89 PHE HBx A 89 PHE H 1.0 1.769 3.515 1247 914 A 89 PHE HBy A 89 PHE H 1.0 1.767 3.503 1248 915 A 80 LEU HDy% A 89 PHE H 1.0 1.972 5.084 1249 916 A 89 PHE H A 85 GLY HAy 1.0 1.998 5.722 1250 917 A 48 GLN HA A 49 VAL H 1.0 1.631 2.933 1251 918 A 89 PHE HDy A 89 PHE H 1.0 1.922 7.660 1252 918 A 89 PHE HDx A 89 PHE H 1.0 1.922 7.660 1253 919 A 89 PHE H A 90 GLU H 1.0 1.809 3.717 1254 920 A 89 PHE H A 88 ARG H 1.0 1.838 3.884 1255 921 A 8 ASP HA A 8 ASP H 1.0 1.944 4.720 1256 922 A 7 PRO HA A 8 ASP H 1.0 1.853 3.983 1257 923 A 7 PRO HDy A 8 ASP H 1.0 1.991 5.459 1258 924 A 8 ASP HBy A 8 ASP H 1.0 1.797 3.651 1259 925 A 7 PRO HBy A 8 ASP H 1.0 1.907 4.367 1260 926 A 9 THR H A 10 ALA H 1.0 1.787 3.605 1261 927 A 8 ASP H A 9 THR H 1.0 1.855 3.991 1262 928 A 11 ARG H A 9 THR H 1.0 1.887 4.205 1263 929 A 8 ASP HA A 9 THR H 1.0 1.981 5.227 1264 930 A 9 THR HB A 9 THR H 1.0 1.735 3.353 1265 931 A 8 ASP HA A 10 ALA H 1.0 1.978 6.874 1266 932 A 9 THR HB A 10 ALA H 1.0 1.746 3.400 1267 933 A 100 LEU H A 98 ARG H 1.0 1.987 5.369 1268 934 A 100 LEU H A 101 ALA H 1.0 1.837 3.877 1269 935 A 10 ALA HB% A 11 ARG H 1.0 1.727 3.319 1270 936 A 100 LEU H A 100 LEU HG 1.0 1.995 5.627 1271 937 A 100 LEU HDx% A 100 LEU H 1.0 1.998 6.232 1272 938 A 100 LEU H A 99 LYS HA 1.0 1.950 4.780 1273 939 A 100 LEU HA A 100 LEU H 1.0 1.766 3.498 1274 940 A 11 ARG HA A 11 ARG H 1.0 1.809 3.723 1275 941 A 8 ASP HA A 11 ARG H 1.0 1.942 4.692 1276 942 A 12 ARG H A 11 ARG H 1.0 1.770 3.516 1277 943 A 11 ARG H A 13 PHE H 1.0 1.997 5.731 1278 944 A 12 ARG HBy A 12 ARG H 1.0 1.515 2.547 1279 945 A 12 ARG H A 13 PHE H 1.0 1.829 3.833 1280 946 A 13 PHE HBx A 13 PHE H 1.0 1.796 3.650 1281 947 A 13 PHE HBy A 13 PHE H 1.0 1.810 3.724 1282 948 A 13 PHE HA A 13 PHE H 1.0 1.877 4.139 1283 949 A 13 PHE H A 14 ASP H 1.0 1.831 3.847 1284 950 A 13 PHE HDx A 14 ASP H 1.0 1.973 6.947 1285 950 A 13 PHE HDy A 14 ASP H 1.0 1.973 6.947 1286 951 A 14 ASP HA A 14 ASP H 1.0 1.794 3.636 1287 952 A 14 ASP HBy A 14 ASP H 1.0 1.743 3.391 1288 953 A 14 ASP HBx A 14 ASP H 1.0 1.861 4.027 1289 954 A 13 PHE HBx A 14 ASP H 1.0 1.856 3.998 1290 955 A 13 PHE H A 15 THR H 1.0 2.000 5.942 1291 956 A 14 ASP H A 15 THR H 1.0 1.864 4.046 1292 957 A 15 THR HG2% A 15 THR H 1.0 1.807 3.703 1293 958 A 14 ASP HBx A 15 THR H 1.0 1.996 6.372 1294 959 A 14 ASP HBy A 15 THR H 1.0 1.884 4.186 1295 960 A 15 THR HA A 15 THR H 1.0 1.852 3.976 1296 961 A 15 THR HB A 15 THR H 1.0 1.851 3.965 1297 962 A 16 GLU HBx A 16 GLU H 1.0 1.856 3.994 1298 963 A 16 GLU HBy A 16 GLU H 1.0 1.704 3.220 1299 964 A 12 ARG HA A 16 GLU H 1.0 1.982 5.258 1300 965 A 17 PHE H A 16 GLU H 1.0 1.694 3.180 1301 966 A 17 PHE H A 15 THR H 1.0 1.985 6.705 1302 967 A 17 PHE HDy A 17 PHE H 1.0 1.990 5.442 1303 967 A 17 PHE HDx A 17 PHE H 1.0 1.990 5.442 1304 968 A 16 GLU HA A 17 PHE H 1.0 1.903 4.335 1305 969 A 17 PHE HA A 17 PHE H 1.0 1.862 4.040 1306 970 A 17 PHE HBx A 17 PHE H 1.0 1.765 3.493 1307 971 A 17 PHE HBy A 17 PHE H 1.0 1.990 5.446 1308 972 A 16 GLU HBy A 17 PHE H 1.0 1.758 3.458 1309 973 A 16 GLU HBx A 17 PHE H 1.0 1.994 5.550 1310 974 A 18 ALA HB% A 18 ALA H 1.0 1.615 2.873 1311 975 A 17 PHE HBx A 18 ALA H 1.0 1.826 3.818 1312 976 A 17 PHE HBy A 18 ALA H 1.0 1.968 5.016 1313 977 A 18 ALA HA A 18 ALA H 1.0 1.723 3.301 1314 978 A 14 ASP HA A 18 ALA H 1.0 1.887 4.205 1315 979 A 17 PHE HA A 18 ALA H 1.0 1.981 5.253 1316 980 A 17 PHE HDx A 18 ALA H 1.0 1.771 8.935 1317 980 A 17 PHE HDy A 18 ALA H 1.0 1.771 8.935 1318 981 A 17 PHE H A 18 ALA H 1.0 1.707 3.229 1319 982 A 20 ARG H A 18 ALA HA 1.0 1.898 4.300 1320 983 A 18 ALA HB% A 20 ARG H 1.0 2.000 5.864 1321 984 A 21 ILE HB A 21 ILE H 1.0 1.672 3.086 1322 985 A 21 ILE HG1x A 21 ILE H 1.0 1.631 2.935 1323 986 A 22 ALA HB% A 22 ALA H 1.0 1.540 2.624 1324 987 A 21 ILE H A 22 ALA H 1.0 1.713 3.259 1325 988 A 87 ALA H A 88 ARG H 1.0 1.743 3.389 1326 989 A 19 PRO HA A 22 ALA H 1.0 1.830 3.842 1327 990 A 21 ILE HA A 22 ALA H 1.0 1.939 4.661 1328 991 A 21 ILE HB A 22 ALA H 1.0 1.694 3.180 1329 992 A 24 ALA H A 23 ARG H 1.0 1.775 3.541 1330 993 A 22 ALA HA A 23 ARG H 1.0 1.965 4.969 1331 994 A 21 ILE HA A 23 ARG H 1.0 1.993 6.481 1332 995 A 22 ALA HB% A 23 ARG H 1.0 1.697 3.189 1333 996 A 25 ILE HB A 25 ILE H 1.0 1.676 3.106 1334 997 A 24 ALA HB% A 25 ILE H 1.0 1.668 3.074 1335 998 A 25 ILE HG2% A 25 ILE H 1.0 1.897 4.285 1336 999 A 27 ASP H A 31 HIS H 1.0 1.995 6.395 1337 1000 A 26 ALA HA A 27 ASP H 1.0 1.940 4.672 1338 1001 A 25 ILE HA A 27 ASP H 1.0 1.992 5.502 1339 1002 A 27 ASP H A 26 ALA HB% 1.0 1.699 3.197 1340 1003 A 37 VAL HGy% A 37 VAL H 1.0 1.770 3.518 1341 1004 A 27 ASP H A 28 LEU H 1.0 1.726 3.312 1342 1005 A 28 LEU HA A 28 LEU H 1.0 1.772 3.528 1343 1006 A 25 ILE HA A 28 LEU H 1.0 1.927 4.545 1344 1007 A 27 ASP HBx A 28 LEU H 1.0 1.746 3.406 1345 1008 A 28 LEU HBx A 28 LEU H 1.0 1.781 3.575 1346 1009 A 28 LEU HDx% A 28 LEU H 1.0 1.997 5.691 1347 1010 A 28 LEU HDy% A 28 LEU H 1.0 1.989 5.427 1348 1011 A 31 HIS H A 29 LEU H 1.0 2.000 5.860 1349 1012 A 28 LEU H A 29 LEU H 1.0 1.709 3.239 1350 1013 A 29 LEU HA A 29 LEU H 1.0 1.838 3.888 1351 1014 A 28 LEU HA A 29 LEU H 1.0 1.947 4.757 1352 1015 A 26 ALA HA A 29 LEU H 1.0 1.931 4.581 1353 1016 A 29 LEU HBx A 29 LEU H 1.0 1.620 2.892 1354 1017 A 30 ASN H A 29 LEU H 1.0 1.717 3.273 1355 1018 A 30 ASN H A 28 LEU H 1.0 1.985 5.323 1356 1019 A 30 ASN HA A 30 ASN H 1.0 1.607 2.845 1357 1020 A 27 ASP HA A 30 ASN H 1.0 1.905 4.349 1358 1021 A 30 ASN HBy A 30 ASN H 1.0 1.999 5.795 1359 1022 A 30 ASN HBx A 30 ASN H 1.0 1.954 4.836 1360 1023 A 126 LEU HDx% A 126 LEU H 1.0 1.850 3.962 1361 1024 A 31 HIS HA A 31 HIS H 1.0 1.734 3.346 1362 1025 A 31 HIS HBy A 31 HIS H 1.0 1.946 7.362 1363 1026 A 31 HIS HBx A 31 HIS H 1.0 2.000 6.010 1364 1027 A 31 HIS H A 30 ASN H 1.0 1.862 4.034 1365 1028 A 32 ARG H A 31 HIS H 1.0 1.895 4.275 1366 1029 A 31 HIS HD2 A 31 HIS H 1.0 1.999 6.243 1367 1030 A 30 ASN HA A 31 HIS H 1.0 1.874 4.118 1368 1031 A 26 ALA HA A 31 HIS H 1.0 1.988 5.380 1369 1032 A 29 LEU HBx A 31 HIS H 1.0 1.893 4.253 1370 1033 A 32 ARG H A 32 ARG HA 1.0 1.782 3.580 1371 1034 A 32 ARG HBx A 32 ARG H 1.0 1.975 5.131 1372 1035 A 32 ARG H A 32 ARG HBy 1.0 1.611 2.859 1373 1036 A 32 ARG H A 31 HIS HA 1.0 1.876 4.136 1374 1037 A 33 ALA HA A 33 ALA H 1.0 1.793 3.633 1375 1038 A 33 ALA H A 31 HIS H 1.0 1.926 7.610 1376 1039 A 32 ARG H A 33 ALA H 1.0 1.617 2.883 1377 1040 A 33 ALA H A 32 ARG HA 1.0 1.882 4.174 1378 1041 A 33 ALA H A 31 HIS HA 1.0 1.980 5.214 1379 1042 A 32 ARG HBx A 33 ALA H 1.0 1.998 6.228 1380 1043 A 33 ALA H A 32 ARG HBy 1.0 1.864 4.050 1381 1044 A 33 ALA HA A 34 HIS H 1.0 1.604 2.836 1382 1045 A 34 HIS H A 35 THR H 1.0 1.986 6.694 1383 1046 A 34 HIS H A 33 ALA HB% 1.0 1.778 3.556 1384 1047 A 35 THR HA A 35 THR H 1.0 1.897 4.291 1385 1048 A 34 HIS HA A 35 THR H 1.0 1.588 2.780 1386 1049 A 35 THR HB A 35 THR H 1.0 1.987 5.367 1387 1050 A 26 ALA HB% A 35 THR H 1.0 1.975 5.131 1388 1051 A 35 THR HG2% A 35 THR H 1.0 1.829 3.831 1389 1052 A 36 ASP H A 50 ARG H 1.0 1.803 3.683 1390 1053 A 36 ASP H A 35 THR HA 1.0 1.652 3.010 1391 1054 A 36 ASP H A 49 VAL HA 1.0 1.996 5.660 1392 1055 A 36 ASP HA A 36 ASP H 1.0 1.789 3.615 1393 1056 A 37 VAL HA A 37 VAL H 1.0 1.874 4.116 1394 1057 A 37 VAL HB A 37 VAL H 1.0 1.691 3.165 1395 1058 A 36 ASP HA A 37 VAL H 1.0 1.709 3.239 1396 1059 A 35 THR HB A 36 ASP H 1.0 1.753 3.435 1397 1060 A 103 TRP HBx A 104 GLU H 1.0 1.959 4.901 1398 1061 A 104 GLU HGy A 104 GLU H 1.0 1.948 4.768 1399 1062 A 103 TRP HBy A 104 GLU H 1.0 1.827 3.817 1400 1063 A 104 GLU HBy A 104 GLU H 1.0 1.773 3.533 1401 1064 A 104 GLU HA A 104 GLU H 1.0 1.798 3.658 1402 1065 A 36 ASP H A 35 THR HG2% 1.0 1.991 5.463 1403 1066 A 36 ASP H A 49 VAL HGy% 1.0 1.791 3.623 1404 1067 A 50 ARG HA A 50 ARG H 1.0 1.878 4.148 1405 1068 A 50 ARG HBx A 50 ARG H 1.0 1.893 4.255 1406 1069 A 49 VAL HGx% A 50 ARG H 1.0 1.888 4.222 1407 1070 A 49 VAL HGy% A 50 ARG H 1.0 1.761 3.475 1408 1071 A 38 VAL HA A 38 VAL H 1.0 1.903 4.335 1409 1072 A 38 VAL HB A 38 VAL H 1.0 1.725 3.307 1410 1073 A 38 VAL HGx% A 38 VAL H 1.0 1.962 4.934 1411 1074 A 38 VAL HGy% A 38 VAL H 1.0 1.619 2.889 1412 1075 A 39 GLY H A 38 VAL H 1.0 1.938 7.474 1413 1076 A 39 GLY H A 39 GLY HAy 1.0 1.843 3.913 1414 1077 A 38 VAL HGx% A 39 GLY H 1.0 1.863 4.047 1415 1078 A 38 VAL HGy% A 39 GLY H 1.0 1.999 5.825 1416 1079 A 39 GLY H A 40 TYR H 1.0 1.985 6.711 1417 1080 A 40 TYR HDy A 40 TYR H 1.0 1.927 7.601 1418 1080 A 40 TYR HDx A 40 TYR H 1.0 1.927 7.601 1419 1081 A 40 TYR HA A 40 TYR H 1.0 1.901 4.325 1420 1082 A 39 GLY HAx A 40 TYR H 1.0 1.771 3.519 1421 1083 A 39 GLY HAy A 40 TYR H 1.0 1.856 3.996 1422 1084 A 40 TYR HBy A 40 TYR H 1.0 1.837 3.877 1423 1085 A 40 TYR HBx A 40 TYR H 1.0 1.843 3.913 1424 1086 A 84 ASP H A 83 ALA H 1.0 1.998 5.750 1425 1087 A 40 TYR HDy A 41 GLY H 1.0 1.999 5.831 1426 1087 A 40 TYR HDx A 41 GLY H 1.0 1.999 5.831 1427 1088 A 40 TYR HA A 41 GLY H 1.0 1.635 2.947 1428 1089 A 41 GLY HAx A 41 GLY H 1.0 1.870 4.092 1429 1090 A 34 HIS H A 34 HIS HD2 1.0 1.946 7.376 1430 1091 A 38 VAL HGx% A 48 GLN H 1.0 1.981 5.247 1431 1092 A 38 VAL HGy% A 48 GLN H 1.0 1.995 5.591 1432 1093 A 30 ASN HD22 A 30 ASN HD21 1.0 1.326 2.030 1433 1094 A 67 ASN H A 116 GLN HE22 1.0 1.924 4.514 1434 1095 A 67 ASN H A 116 GLN HE21 1.0 1.970 5.050 1435 1096 A 49 VAL HA A 49 VAL H 1.0 1.808 3.714 1436 1097 A 14 ASP HBx A 13 PHE H 1.0 1.983 6.761 1437 1098 A 49 VAL HB A 49 VAL H 1.0 1.763 3.481 1438 1099 A 49 VAL HGx% A 49 VAL H 1.0 1.665 3.061 1439 1100 A 49 VAL HGy% A 49 VAL H 1.0 1.941 4.685 1440 1101 A 70 LEU HBy A 49 VAL H 1.0 1.966 4.994 1441 1102 A 51 ILE H A 68 LEU H 1.0 1.844 3.924 1442 1103 A 51 ILE H A 52 VAL H 1.0 2.000 5.858 1443 1104 A 50 ARG HA A 51 ILE H 1.0 1.639 2.961 1444 1105 A 51 ILE H A 69 ALA HA 1.0 1.960 4.902 1445 1106 A 51 ILE HG2% A 51 ILE H 1.0 1.971 5.079 1446 1107 A 67 ASN H A 68 LEU H 1.0 1.968 5.022 1447 1108 A 52 VAL H A 35 THR HA 1.0 1.945 4.725 1448 1109 A 52 VAL HA A 52 VAL H 1.0 1.810 3.726 1449 1110 A 52 VAL H A 51 ILE HA 1.0 1.568 2.714 1450 1111 A 67 ASN H A 67 ASN HBx 1.0 1.832 3.852 1451 1112 A 52 VAL HB A 52 VAL H 1.0 1.801 3.677 1452 1113 A 52 VAL H A 35 THR HG2% 1.0 1.862 4.042 1453 1114 A 52 VAL HGy% A 52 VAL H 1.0 1.706 3.224 1454 1115 A 51 ILE HG2% A 52 VAL H 1.0 1.726 3.312 1455 1116 A 53 ALA HB% A 53 ALA H 1.0 1.715 3.265 1456 1117 A 52 VAL HB A 53 ALA H 1.0 1.960 4.904 1457 1118 A 67 ASN HA A 53 ALA H 1.0 2.000 5.928 1458 1119 A 56 ALA H A 56 ALA HB% 1.0 1.756 3.450 1459 1120 A 56 ALA H A 56 ALA HA 1.0 1.833 3.855 1460 1121 A 55 HIS HA A 56 ALA H 1.0 1.743 3.391 1461 1122 A 57 GLU HA A 57 GLU H 1.0 1.953 4.827 1462 1123 A 57 GLU H A 56 ALA HA 1.0 1.796 3.648 1463 1124 A 57 GLU HBy A 57 GLU H 1.0 1.705 3.225 1464 1125 A 57 GLU H A 56 ALA HB% 1.0 1.783 3.583 1465 1126 A 117 ALA H A 117 ALA HA 1.0 1.842 3.910 1466 1127 A 59 VAL HB A 59 VAL H 1.0 1.853 3.975 1467 1128 A 58 HIS HA A 59 VAL H 1.0 1.825 3.807 1468 1129 A 59 VAL H A 60 ARG H 1.0 1.926 4.538 1469 1130 A 60 ARG HA A 60 ARG H 1.0 1.874 4.116 1470 1131 A 59 VAL HA A 60 ARG H 1.0 1.700 3.200 1471 1132 A 59 VAL HB A 60 ARG H 1.0 1.932 4.594 1472 1133 A 60 ARG HA A 61 GLY H 1.0 1.743 3.387 1473 1134 A 61 GLY H A 61 GLY HAy 1.0 1.910 4.398 1474 1135 A 61 GLY H A 61 GLY HAx 1.0 1.836 3.872 1475 1136 A 60 ARG HBy A 61 GLY H 1.0 1.991 5.489 1476 1137 A 62 TYR HDy A 62 TYR H 1.0 1.999 6.095 1477 1137 A 62 TYR HDx A 62 TYR H 1.0 1.999 6.095 1478 1138 A 62 TYR HA A 62 TYR H 1.0 1.963 4.957 1479 1139 A 61 GLY HAy A 62 TYR H 1.0 1.809 3.723 1480 1140 A 61 GLY HAx A 62 TYR H 1.0 1.998 6.226 1481 1141 A 62 TYR HBx A 62 TYR H 1.0 1.999 6.237 1482 1142 A 62 TYR HBy A 62 TYR H 1.0 1.867 4.073 1483 1143 A 63 ALA HA A 63 ALA H 1.0 1.838 3.886 1484 1144 A 63 ALA HB% A 63 ALA H 1.0 1.648 2.996 1485 1145 A 62 TYR HBy A 63 ALA H 1.0 1.992 5.492 1486 1146 A 62 TYR HBx A 63 ALA H 1.0 1.857 4.001 1487 1147 A 62 TYR HA A 63 ALA H 1.0 1.752 3.430 1488 1148 A 62 TYR HDy A 63 ALA H 1.0 1.830 8.500 1489 1148 A 62 TYR HDx A 63 ALA H 1.0 1.830 8.500 1490 1149 A 64 HIS H A 64 HIS HA 1.0 1.864 4.052 1491 1150 A 64 HIS H A 63 ALA HA 1.0 1.789 3.611 1492 1151 A 64 HIS H A 64 HIS HBy 1.0 1.985 5.335 1493 1152 A 64 HIS H A 62 TYR HBx 1.0 1.978 5.196 1494 1153 A 64 HIS H A 64 HIS HBx 1.0 1.757 3.455 1495 1154 A 64 HIS H A 63 ALA HB% 1.0 1.900 4.308 1496 1155 A 64 HIS H A 64 HIS HD2 1.0 1.940 4.676 1497 1156 A 64 HIS H A 63 ALA H 1.0 1.883 4.187 1498 1157 A 64 HIS H A 116 GLN H 1.0 1.978 5.192 1499 1158 A 64 HIS H A 62 TYR HBy 1.0 1.964 4.972 1500 1159 A 67 ASN H A 66 LEU H 1.0 1.932 7.542 1501 1160 A 65 PRO HA A 66 LEU H 1.0 1.693 3.171 1502 1161 A 66 LEU HA A 66 LEU H 1.0 1.876 4.128 1503 1162 A 66 LEU HBx A 66 LEU H 1.0 1.796 3.648 1504 1163 A 66 LEU H A 66 LEU HBy 1.0 1.706 3.228 1505 1164 A 66 LEU HDy% A 66 LEU H 1.0 1.996 5.638 1506 1165 A 67 ASN HA A 67 ASN H 1.0 1.896 4.286 1507 1166 A 66 LEU HA A 67 ASN H 1.0 1.613 2.867 1508 1167 A 67 ASN H A 67 ASN HBy 1.0 1.950 4.784 1509 1168 A 66 LEU HBx A 67 ASN H 1.0 1.994 5.596 1510 1169 A 67 ASN HBy A 67 ASN HD21 1.0 1.968 5.014 1511 1170 A 67 ASN HA A 68 LEU H 1.0 1.613 2.869 1512 1171 A 50 ARG HA A 68 LEU H 1.0 1.979 6.853 1513 1172 A 67 ASN HBy A 68 LEU H 1.0 1.921 7.675 1514 1173 A 51 ILE HB A 68 LEU H 1.0 1.922 4.492 1515 1174 A 69 ALA H A 70 LEU H 1.0 1.998 6.284 1516 1175 A 69 ALA H A 123 LEU H 1.0 1.849 3.953 1517 1176 A 69 ALA H A 121 VAL H 1.0 1.996 6.328 1518 1177 A 68 LEU HA A 69 ALA H 1.0 1.551 2.659 1519 1178 A 69 ALA HA A 69 ALA H 1.0 1.846 3.932 1520 1179 A 122 LEU HA A 69 ALA H 1.0 1.740 3.376 1521 1180 A 68 LEU HBx A 69 ALA H 1.0 1.948 4.762 1522 1181 A 69 ALA HB% A 69 ALA H 1.0 1.652 3.010 1523 1182 A 122 LEU HDy% A 69 ALA H 1.0 1.692 3.172 1524 1183 A 72 TRP HE1 A 127 ASP H 1.0 1.987 6.653 1525 1184 A 70 LEU H A 71 THR H 1.0 1.990 6.594 1526 1185 A 71 THR H A 125 GLY H 1.0 2.000 6.060 1527 1186 A 70 LEU HA A 71 THR H 1.0 1.541 2.625 1528 1187 A 71 THR HB A 71 THR H 1.0 1.996 5.664 1529 1188 A 124 GLY HAy A 71 THR H 1.0 1.924 4.516 1530 1189 A 70 LEU HBx A 71 THR H 1.0 1.973 6.957 1531 1190 A 71 THR HG2% A 71 THR H 1.0 1.789 3.615 1532 1191 A 70 LEU HBy A 71 THR H 1.0 1.883 4.181 1533 1192 A 70 LEU HDy% A 71 THR H 1.0 1.999 5.759 1534 1193 A 126 LEU HDx% A 71 THR H 1.0 1.800 3.672 1535 1194 A 72 TRP H A 73 ASN H 1.0 1.936 7.492 1536 1195 A 73 ASN HA A 73 ASN H 1.0 1.614 2.874 1537 1196 A 72 TRP HBx A 73 ASN H 1.0 1.935 4.629 1538 1197 A 73 ASN HBx A 73 ASN H 1.0 1.681 3.123 1539 1198 A 126 LEU HBx A 73 ASN H 1.0 1.999 5.783 1540 1199 A 73 ASN HA A 74 THR H 1.0 1.705 3.225 1541 1200 A 74 THR HB A 74 THR H 1.0 1.851 3.961 1542 1201 A 74 THR HA A 74 THR H 1.0 1.933 4.597 1543 1202 A 73 ASN HBy A 74 THR H 1.0 1.976 5.138 1544 1203 A 74 THR HG2% A 74 THR H 1.0 1.982 6.778 1545 1204 A 74 THR H A 75 ASP H 1.0 1.946 4.740 1546 1205 A 75 ASP H A 77 ILE H 1.0 1.969 5.033 1547 1206 A 75 ASP HA A 75 ASP H 1.0 1.877 4.139 1548 1207 A 74 THR HB A 75 ASP H 1.0 1.819 3.775 1549 1208 A 74 THR HA A 75 ASP H 1.0 1.970 5.056 1550 1209 A 75 ASP H A 76 GLU H 1.0 1.809 3.721 1551 1210 A 75 ASP HA A 76 GLU H 1.0 1.990 5.458 1552 1211 A 76 GLU HA A 76 GLU H 1.0 1.898 4.300 1553 1212 A 77 ILE HA A 77 ILE H 1.0 1.881 4.165 1554 1213 A 73 ASN HBx A 77 ILE H 1.0 1.990 5.446 1555 1214 A 77 ILE HB A 77 ILE H 1.0 1.643 2.975 1556 1215 A 77 ILE HG1y A 77 ILE H 1.0 1.990 5.446 1557 1216 A 78 GLU H A 75 ASP HA 1.0 1.928 4.554 1558 1217 A 78 GLU H A 78 GLU HA 1.0 1.854 3.980 1559 1218 A 78 GLU H A 77 ILE HB 1.0 1.749 3.417 1560 1219 A 77 ILE HG2% A 78 GLU H 1.0 1.991 5.483 1561 1220 A 78 GLU H A 79 ARG H 1.0 1.812 3.734 1562 1221 A 79 ARG HA A 79 ARG H 1.0 1.776 3.550 1563 1222 A 78 GLU HA A 79 ARG H 1.0 1.951 4.801 1564 1223 A 77 ILE HA A 79 ARG H 1.0 1.994 5.546 1565 1224 A 80 LEU HDx% A 80 LEU H 1.0 1.999 5.825 1566 1225 A 80 LEU HA A 80 LEU H 1.0 1.818 3.766 1567 1226 A 77 ILE HA A 80 LEU H 1.0 1.934 4.610 1568 1227 A 81 MET HGx A 80 LEU H 1.0 1.999 5.789 1569 1228 A 79 ARG HBx A 80 LEU H 1.0 1.828 3.830 1570 1229 A 80 LEU HBx A 80 LEU H 1.0 1.785 3.589 1571 1230 A 80 LEU HDy% A 80 LEU H 1.0 1.987 5.367 1572 1231 A 81 MET HA A 81 MET H 1.0 1.904 4.346 1573 1232 A 80 LEU H A 81 MET H 1.0 1.753 3.435 1574 1233 A 82 GLU H A 81 MET H 1.0 1.789 3.613 1575 1234 A 79 ARG HA A 81 MET H 1.0 1.956 4.856 1576 1235 A 81 MET HGy A 81 MET H 1.0 1.957 4.863 1577 1236 A 81 MET HBx A 81 MET H 1.0 1.761 3.473 1578 1237 A 80 LEU HBy A 81 MET H 1.0 1.978 5.174 1579 1238 A 80 LEU HBx A 81 MET H 1.0 1.990 5.470 1580 1239 A 79 ARG HA A 82 GLU H 1.0 1.968 5.014 1581 1240 A 82 GLU H A 82 GLU HBx 1.0 1.712 3.252 1582 1241 A 82 GLU HA A 83 ALA H 1.0 1.858 4.012 1583 1242 A 83 ALA HA A 83 ALA H 1.0 1.891 4.245 1584 1243 A 82 GLU HBy A 83 ALA H 1.0 1.870 4.092 1585 1244 A 82 GLU HBx A 83 ALA H 1.0 1.986 6.680 1586 1245 A 83 ALA HB% A 83 ALA H 1.0 1.747 3.407 1587 1246 A 84 ASP HA A 84 ASP H 1.0 1.711 3.245 1588 1247 A 85 GLY HAx A 84 ASP H 1.0 1.958 7.198 1589 1248 A 83 ALA HA A 84 ASP H 1.0 1.945 4.731 1590 1249 A 84 ASP HBx A 84 ASP H 1.0 1.982 5.250 1591 1250 A 84 ASP HBy A 84 ASP H 1.0 1.931 4.585 1592 1251 A 83 ALA HB% A 84 ASP H 1.0 1.763 3.487 1593 1252 A 85 GLY HAx A 85 GLY H 1.0 1.685 3.141 1594 1253 A 85 GLY HAy A 85 GLY H 1.0 1.859 4.015 1595 1254 A 86 ALA HB% A 86 ALA H 1.0 1.564 2.702 1596 1255 A 85 GLY HAy A 86 ALA H 1.0 1.998 5.752 1597 1256 A 86 ALA HA A 86 ALA H 1.0 1.742 3.384 1598 1257 A 84 ASP HA A 86 ALA H 1.0 1.999 5.823 1599 1258 A 86 ALA H A 87 ALA H 1.0 1.814 3.750 1600 1259 A 84 ASP H A 86 ALA H 1.0 1.990 6.580 1601 1260 A 87 ALA HA A 88 ARG H 1.0 1.920 4.484 1602 1261 A 88 ARG HA A 88 ARG H 1.0 1.859 4.015 1603 1262 A 85 GLY HAy A 88 ARG H 1.0 1.899 4.303 1604 1263 A 87 ALA HB% A 88 ARG H 1.0 1.778 3.558 1605 1264 A 89 PHE HDy A 90 GLU H 1.0 1.963 7.131 1606 1264 A 89 PHE HDx A 90 GLU H 1.0 1.963 7.131 1607 1265 A 87 ALA HA A 90 GLU H 1.0 1.823 3.797 1608 1266 A 90 GLU HA A 90 GLU H 1.0 1.811 3.731 1609 1267 A 89 PHE HBx A 90 GLU H 1.0 1.999 5.837 1610 1268 A 89 PHE HBy A 90 GLU H 1.0 1.799 3.665 1611 1269 A 90 GLU HBx A 90 GLU H 1.0 1.689 3.157 1612 1270 A 91 ARG H A 90 GLU H 1.0 1.791 3.623 1613 1271 A 89 PHE HA A 91 ARG H 1.0 1.999 6.131 1614 1272 A 91 ARG HA A 91 ARG H 1.0 1.829 3.831 1615 1273 A 88 ARG HA A 91 ARG H 1.0 1.876 4.134 1616 1274 A 90 GLU HGy A 91 ARG H 1.0 1.929 7.573 1617 1275 A 91 ARG HBx A 91 ARG H 1.0 1.652 3.012 1618 1276 A 91 ARG H A 91 ARG HBy 1.0 1.787 3.603 1619 1277 A 91 ARG H A 92 TYR H 1.0 1.763 3.479 1620 1278 A 92 TYR HDx A 92 TYR H 1.0 1.958 7.194 1621 1278 A 92 TYR HDy A 92 TYR H 1.0 1.958 7.194 1622 1279 A 89 PHE HA A 92 TYR H 1.0 1.919 4.469 1623 1280 A 92 TYR HA A 92 TYR H 1.0 1.832 3.852 1624 1281 A 91 ARG HBx A 92 TYR H 1.0 1.824 3.800 1625 1282 A 91 ARG HBy A 92 TYR H 1.0 1.999 5.811 1626 1283 A 93 LEU H A 94 ALA H 1.0 1.813 3.739 1627 1284 A 93 LEU H A 92 TYR HDy 1.0 1.999 5.881 1628 1284 A 93 LEU H A 92 TYR HDx 1.0 1.999 5.881 1629 1285 A 90 GLU HA A 93 LEU H 1.0 1.848 3.950 1630 1286 A 93 LEU H A 93 LEU HA 1.0 1.787 3.605 1631 1287 A 92 TYR HBx A 93 LEU H 1.0 1.753 3.435 1632 1288 A 93 LEU H A 93 LEU HBx 1.0 1.712 3.254 1633 1289 A 93 LEU HG A 93 LEU H 1.0 1.772 3.526 1634 1290 A 94 ALA HA A 94 ALA H 1.0 1.754 3.440 1635 1291 A 90 GLU HA A 94 ALA H 1.0 1.998 6.260 1636 1292 A 93 LEU HA A 94 ALA H 1.0 1.924 4.512 1637 1293 A 93 LEU HBx A 94 ALA H 1.0 1.774 3.540 1638 1294 A 93 LEU HBy A 94 ALA H 1.0 1.953 4.813 1639 1295 A 93 LEU H A 95 ALA H 1.0 1.950 4.782 1640 1296 A 95 ALA H A 96 LEU H 1.0 1.540 2.624 1641 1297 A 95 ALA H A 95 ALA HA 1.0 1.790 3.618 1642 1298 A 96 LEU HG A 95 ALA H 1.0 1.978 5.174 1643 1299 A 95 ALA HA A 96 LEU H 1.0 1.936 4.634 1644 1300 A 94 ALA HA A 96 LEU H 1.0 1.972 5.088 1645 1301 A 96 LEU HA A 96 LEU H 1.0 1.759 3.463 1646 1302 A 93 LEU HA A 96 LEU H 1.0 1.840 3.896 1647 1303 A 96 LEU HBy A 96 LEU H 1.0 1.953 4.823 1648 1304 A 96 LEU HDx% A 96 LEU H 1.0 1.922 4.500 1649 1305 A 95 ALA HB% A 96 LEU H 1.0 1.847 3.945 1650 1306 A 96 LEU HDy% A 96 LEU H 1.0 1.970 5.056 1651 1307 A 117 ALA H A 118 ASP H 1.0 1.787 3.601 1652 1308 A 98 ARG H A 99 LYS H 1.0 1.674 3.096 1653 1309 A 95 ALA HA A 98 ARG H 1.0 1.942 4.696 1654 1310 A 98 ARG HA A 98 ARG H 1.0 1.788 3.606 1655 1311 A 97 PRO HGy A 98 ARG H 1.0 1.653 3.011 1656 1312 A 95 ALA HB% A 98 ARG H 1.0 1.923 4.511 1657 1313 A 98 ARG HA A 99 LYS H 1.0 1.978 5.166 1658 1314 A 100 LEU H A 99 LYS H 1.0 1.785 3.593 1659 1315 A 100 LEU H A 102 ALA H 1.0 1.996 5.644 1660 1316 A 101 ALA H A 99 LYS H 1.0 1.999 5.839 1661 1317 A 101 ALA H A 102 ALA H 1.0 1.791 3.621 1662 1318 A 102 ALA HA A 102 ALA H 1.0 1.809 3.721 1663 1319 A 98 ARG HA A 102 ALA H 1.0 2.000 5.974 1664 1320 A 96 LEU HA A 99 LYS H 1.0 1.905 4.353 1665 1321 A 103 TRP HBx A 102 ALA H 1.0 1.948 7.338 1666 1322 A 99 LYS HA A 102 ALA H 1.0 1.880 4.160 1667 1323 A 99 LYS HA A 99 LYS H 1.0 1.849 3.953 1668 1324 A 102 ALA HB% A 102 ALA H 1.0 1.514 2.542 1669 1325 A 99 LYS HBx A 99 LYS H 1.0 1.596 2.806 1670 1326 A 99 LYS HBy A 99 LYS H 1.0 1.929 4.559 1671 1327 A 101 ALA HA A 101 ALA H 1.0 1.808 3.710 1672 1328 A 98 ARG HA A 101 ALA H 1.0 1.901 4.317 1673 1329 A 100 LEU HA A 101 ALA H 1.0 1.976 5.160 1674 1330 A 99 LYS HA A 101 ALA H 1.0 2.000 6.064 1675 1331 A 101 ALA HB% A 101 ALA H 1.0 1.521 2.563 1676 1332 A 102 ALA HA A 103 TRP H 1.0 1.956 4.860 1677 1333 A 103 TRP H A 104 GLU H 1.0 1.781 3.571 1678 1334 A 104 GLU H A 105 ASN H 1.0 1.818 3.772 1679 1335 A 101 ALA HA A 104 GLU H 1.0 1.960 4.914 1680 1336 A 104 GLU HGx A 104 GLU H 1.0 1.738 3.368 1681 1337 A 103 TRP H A 105 ASN H 1.0 1.974 6.952 1682 1338 A 105 ASN H A 106 ALA H 1.0 1.800 3.672 1683 1339 A 105 ASN HD21 A 105 ASN H 1.0 1.913 7.751 1684 1340 A 105 ASN HA A 105 ASN H 1.0 1.844 3.920 1685 1341 A 106 ALA HA A 105 ASN H 1.0 1.963 7.137 1686 1342 A 104 GLU HBy A 105 ASN H 1.0 1.776 3.550 1687 1343 A 104 GLU HBx A 105 ASN H 1.0 1.998 5.716 1688 1344 A 104 GLU HGx A 105 ASN H 1.0 1.997 6.317 1689 1345 A 106 ALA HB% A 105 ASN H 1.0 1.999 6.099 1690 1346 A 20 ARG H A 22 ALA H 1.0 1.995 5.623 1691 1347 A 103 TRP HA A 106 ALA H 1.0 1.851 3.967 1692 1348 A 126 LEU HA A 126 LEU H 1.0 1.882 4.178 1693 1349 A 125 GLY HAx A 126 LEU H 1.0 1.989 5.417 1694 1350 A 126 LEU HG A 126 LEU H 1.0 1.934 4.612 1695 1351 A 106 ALA HA A 107 ARG H 1.0 1.957 4.881 1696 1352 A 107 ARG HA A 107 ARG H 1.0 1.807 3.711 1697 1353 A 107 ARG HDx A 107 ARG H 1.0 1.988 6.622 1698 1354 A 107 ARG HBy A 107 ARG H 1.0 1.842 3.904 1699 1355 A 108 GLY H A 107 ARG H 1.0 1.696 3.182 1700 1356 A 108 GLY H A 108 GLY HAx 1.0 1.858 4.010 1701 1357 A 108 GLY H A 108 GLY HAy 1.0 1.735 3.353 1702 1358 A 108 GLY H A 107 ARG HBy 1.0 1.974 5.114 1703 1359 A 108 GLY H A 107 ARG HBx 1.0 1.999 6.247 1704 1360 A 107 ARG H A 109 VAL H 1.0 1.950 4.778 1705 1361 A 108 GLY H A 109 VAL H 1.0 1.815 3.749 1706 1362 A 117 ALA H A 117 ALA HB% 1.0 1.628 2.922 1707 1363 A 109 VAL HB A 109 VAL H 1.0 1.715 3.263 1708 1364 A 109 VAL HGx% A 109 VAL H 1.0 1.966 4.990 1709 1365 A 109 VAL HGy% A 109 VAL H 1.0 1.956 4.856 1710 1366 A 109 VAL H A 110 ASP H 1.0 1.958 7.202 1711 1367 A 110 ASP HA A 110 ASP H 1.0 1.953 4.825 1712 1368 A 109 VAL HA A 110 ASP H 1.0 1.683 3.131 1713 1369 A 110 ASP HBx A 110 ASP H 1.0 1.879 4.157 1714 1370 A 110 ASP HBy A 110 ASP H 1.0 1.905 4.351 1715 1371 A 109 VAL HB A 110 ASP H 1.0 1.991 5.475 1716 1372 A 109 VAL HGy% A 110 ASP H 1.0 1.974 5.108 1717 1373 A 111 PHE HA A 111 PHE H 1.0 1.911 4.405 1718 1374 A 111 PHE HBx A 111 PHE H 1.0 1.953 4.819 1719 1375 A 111 PHE HBy A 111 PHE H 1.0 1.712 3.250 1720 1376 A 112 GLY H A 111 PHE H 1.0 1.849 3.953 1721 1377 A 112 GLY H A 114 ARG H 1.0 1.967 7.065 1722 1378 A 112 GLY H A 110 ASP HA 1.0 1.999 5.803 1723 1379 A 112 GLY H A 111 PHE HBx 1.0 1.989 5.411 1724 1380 A 112 GLY H A 111 PHE HBy 1.0 1.910 4.396 1725 1381 A 112 GLY H A 113 SER H 1.0 1.827 3.815 1726 1382 A 114 ARG H A 113 SER H 1.0 1.734 3.348 1727 1383 A 113 SER HA A 113 SER H 1.0 1.907 4.371 1728 1384 A 113 SER HBy A 113 SER H 1.0 1.746 3.400 1729 1385 A 113 SER HBx A 113 SER H 1.0 1.838 3.886 1730 1386 A 115 THR H A 114 ARG H 1.0 1.800 3.670 1731 1387 A 114 ARG H A 113 SER HA 1.0 1.982 5.268 1732 1388 A 114 ARG H A 111 PHE HA 1.0 1.877 4.141 1733 1389 A 112 GLY HAy A 114 ARG H 1.0 1.946 4.736 1734 1390 A 114 ARG HA A 114 ARG H 1.0 1.686 3.146 1735 1391 A 115 THR H A 115 THR HG2% 1.0 1.887 4.207 1736 1392 A 115 THR HA A 116 GLN H 1.0 1.828 3.824 1737 1393 A 115 THR HB A 116 GLN H 1.0 1.682 3.128 1738 1394 A 116 GLN HBx A 116 GLN H 1.0 1.969 5.031 1739 1395 A 116 GLN HBy A 116 GLN H 1.0 1.960 4.908 1740 1396 A 115 THR HG2% A 116 GLN H 1.0 1.999 6.183 1741 1397 A 116 GLN HA A 117 ALA H 1.0 1.746 3.404 1742 1398 A 116 GLN HBx A 117 ALA H 1.0 1.953 4.821 1743 1399 A 117 ALA H A 116 GLN HBy 1.0 1.988 6.626 1744 1400 A 118 ASP H A 117 ALA HA 1.0 1.876 4.138 1745 1401 A 118 ASP H A 118 ASP HBx 1.0 1.692 3.166 1746 1402 A 118 ASP H A 117 ALA HB% 1.0 1.823 3.799 1747 1403 A 126 LEU HBy A 127 ASP H 1.0 1.646 2.990 1748 1404 A 126 LEU HG A 127 ASP H 1.0 1.953 4.813 1749 1405 A 126 LEU HBx A 127 ASP H 1.0 2.000 6.044 1750 1406 A 120 LEU HA A 119 ALA H 1.0 1.969 7.035 1751 1407 A 119 ALA HA A 119 ALA H 1.0 1.856 4.002 1752 1408 A 118 ASP HBy A 119 ALA H 1.0 1.837 3.877 1753 1409 A 118 ASP HBx A 119 ALA H 1.0 1.995 6.419 1754 1410 A 119 ALA HB% A 119 ALA H 1.0 1.622 2.902 1755 1411 A 119 ALA H A 120 LEU H 1.0 1.821 3.785 1756 1412 A 120 LEU HA A 120 LEU H 1.0 1.868 4.082 1757 1413 A 118 ASP HA A 120 LEU H 1.0 1.981 6.809 1758 1414 A 119 ALA HA A 120 LEU H 1.0 1.939 4.665 1759 1415 A 118 ASP HBy A 120 LEU H 1.0 1.839 3.893 1760 1416 A 118 ASP HBx A 120 LEU H 1.0 2.000 6.034 1761 1417 A 120 LEU HBx A 120 LEU H 1.0 1.800 3.670 1762 1418 A 119 ALA HB% A 120 LEU H 1.0 1.755 3.447 1763 1419 A 120 LEU HDx% A 120 LEU H 1.0 1.968 5.026 1764 1420 A 121 VAL H A 122 LEU H 1.0 1.987 5.353 1765 1421 A 116 GLN HE22 A 121 VAL H 1.0 1.802 3.684 1766 1422 A 121 VAL HGx% A 121 VAL H 1.0 1.543 2.631 1767 1423 A 120 LEU HBx A 121 VAL H 1.0 1.999 5.895 1768 1424 A 120 LEU HG A 121 VAL H 1.0 1.825 3.811 1769 1425 A 121 VAL HB A 121 VAL H 1.0 1.780 3.568 1770 1426 A 121 VAL HA A 121 VAL H 1.0 1.878 4.148 1771 1427 A 120 LEU HA A 121 VAL H 1.0 1.642 2.974 1772 1428 A 68 LEU HA A 121 VAL H 1.0 1.846 3.936 1773 1429 A 116 GLN HE21 A 121 VAL H 1.0 2.000 6.034 1774 1430 A 121 VAL HA A 122 LEU H 1.0 1.563 2.699 1775 1431 A 122 LEU HA A 122 LEU H 1.0 1.819 3.771 1776 1432 A 121 VAL HB A 122 LEU H 1.0 1.891 7.975 1777 1433 A 122 LEU HBy A 122 LEU H 1.0 1.733 3.345 1778 1434 A 122 LEU HG A 122 LEU H 1.0 1.766 3.494 1779 1435 A 121 VAL HGy% A 122 LEU H 1.0 1.893 4.255 1780 1436 A 122 LEU H A 123 LEU H 1.0 1.993 5.545 1781 1437 A 122 LEU HA A 123 LEU H 1.0 1.563 2.699 1782 1438 A 122 LEU HBy A 123 LEU H 1.0 1.999 6.191 1783 1439 A 123 LEU HBy A 123 LEU H 1.0 1.724 3.304 1784 1440 A 123 LEU HG A 123 LEU H 1.0 1.748 3.412 1785 1441 A 121 VAL HGx% A 123 LEU H 1.0 1.930 6.000 1786 1442 A 123 LEU HDy% A 123 LEU H 1.0 1.987 6.657 1787 1443 A 123 LEU HD11 A 123 LEU H 1.0 1.999 5.985 1788 1444 A 123 LEU H A 124 GLY H 1.0 1.995 6.439 1789 1445 A 123 LEU HA A 124 GLY H 1.0 1.610 2.856 1790 1446 A 124 GLY HAy A 124 GLY H 1.0 1.738 3.364 1791 1447 A 125 GLY HAx A 125 GLY H 1.0 1.904 4.350 1792 1448 A 125 GLY HAy A 125 GLY H 1.0 1.729 3.323 1793 1449 A 125 GLY H A 126 LEU H 1.0 1.887 4.213 1794 1450 A 123 LEU HBy A 124 GLY H 1.0 2.000 6.104 1795 1451 A 126 LEU HBy A 125 GLY H 1.0 1.935 7.513 1796 1452 A 123 LEU HBx A 124 GLY H 1.0 1.976 5.156 1797 1453 A 123 LEU HDy% A 124 GLY H 1.0 1.977 6.879 1798 1454 A 73 ASN H A 126 LEU H 1.0 1.995 5.607 1799 1455 A 72 TRP HA A 126 LEU H 1.0 1.766 3.502 1800 1456 A 125 GLY HAy A 126 LEU H 1.0 1.850 3.956 1801 1457 A 126 LEU HBx A 126 LEU H 1.0 1.756 3.446 1802 1458 A 127 ASP HA A 127 ASP H 1.0 1.930 4.566 1803 1459 A 128 PHE H A 127 ASP H 1.0 1.998 6.282 1804 1460 A 126 LEU HA A 127 ASP H 1.0 1.702 3.208 1805 1461 A 127 ASP HBy A 127 ASP H 1.0 1.887 4.211 1806 1462 A 126 LEU HDx% A 127 ASP H 1.0 1.820 8.580 1807 1463 A 128 PHE H A 128 PHE HDy 1.0 1.996 5.660 1808 1463 A 128 PHE H A 128 PHE HDx 1.0 1.996 5.660 1809 1464 A 128 PHE H A 127 ASP HA 1.0 1.875 4.121 1810 1465 A 128 PHE H A 128 PHE HA 1.0 1.889 4.225 1811 1466 A 129 GLU HA A 130 ALA H 1.0 1.585 2.771 1812 1467 A 129 GLU HBx A 130 ALA H 1.0 1.948 7.342 1813 1468 A 130 ALA HB% A 130 ALA H 1.0 1.684 3.136 1814 1469 A 123 LEU HDy% A 103 TRP HE1 1.0 1.971 5.075 1815 1470 A 103 TRP HA A 103 TRP HE1 1.0 1.908 7.808 1816 1471 A 103 TRP HD1 A 103 TRP HE1 1.0 1.724 3.304 1817 1472 A 103 TRP HZ2 A 103 TRP HE1 1.0 1.842 3.908 1818 1473 A 92 TYR HEy A 72 TRP HE1 1.0 1.995 6.385 1819 1473 A 92 TYR HEx A 72 TRP HE1 1.0 1.995 6.385 1820 1474 A 67 ASN HD21 A 67 ASN HD22 1.0 1.345 2.077 1821 1475 A 67 ASN HBx A 67 ASN HD22 1.0 1.997 5.707 1822 1476 A 67 ASN HBy A 67 ASN HD22 1.0 1.996 6.356 1823 1477 A 48 GLN HE22 A 48 GLN HE21 1.0 1.388 2.186 1824 1478 A 38 VAL HGy% A 48 GLN HE21 1.0 1.998 6.254 1825 1479 A 48 GLN HE22 A 71 THR HG2% 1.0 1.972 5.084 1826 1480 A 48 GLN HE21 A 71 THR HG2% 1.0 1.999 5.847 1827 1481 A 116 GLN HE22 A 116 GLN HBy 1.0 1.985 6.709 1828 1482 A 30 ASN HBy A 30 ASN HD22 1.0 1.965 7.093 1829 1483 A 116 GLN HE22 A 121 VAL HGx% 1.0 1.748 3.412 1830 1484 A 67 ASN HBx A 67 ASN HD21 1.0 1.661 3.043 1831 1485 A 105 ASN HD21 A 105 ASN HD22 1.0 1.385 2.179 1832 1486 A 73 ASN HD21 A 73 ASN HD22 1.0 1.359 2.111 1833 1487 A 73 ASN HA A 73 ASN HD21 1.0 1.981 6.807 1834 1488 A 73 ASN HBx A 73 ASN HD21 1.0 1.682 3.126 1835 1489 A 73 ASN HBx A 73 ASN HD22 1.0 1.999 5.927 1836 1490 A 128 PHE H A 129 GLU H 1.0 1.796 3.650 1837 1491 A 24 ALA H A 24 ALA HA 1.0 1.706 3.226 1838 1492 A 23 ARG HA A 26 ALA H 1.0 1.702 6.000 1839 1493 A 20 ARG H A 21 ILE H 1.0 1.721 3.289 1840 1494 A 21 ILE H A 89 PHE HZ 1.0 1.996 5.632 1841 1495 A 26 ALA H A 27 ASP HBx 1.0 1.989 6.583 1842 1496 A 25 ILE HB A 26 ALA H 1.0 1.532 2.596 1843 1497 A 40 TYR HBx A 41 GLY H 1.0 1.999 6.081 1844 1498 A 76 GLU H A 77 ILE H 1.0 1.619 2.889 1845 1499 A 80 LEU HG A 80 LEU H 1.0 1.648 2.996 1846 1500 A 45 HIS HBy A 45 HIS H 1.0 1.914 4.422 1847 1501 A 45 HIS H A 44 GLY HAy 1.0 1.819 8.583 1848 1502 A 42 GLY HAx A 43 HIS H 1.0 1.981 5.231 1849 1503 A 43 HIS HBx A 43 HIS H 1.0 1.955 4.845 1850 1504 A 43 HIS HBy A 43 HIS H 1.0 1.903 4.339 1851 1505 A 42 GLY HAy A 43 HIS H 1.0 1.878 4.146 1852 1506 A 72 TRP HD1 A 72 TRP HE1 1.0 1.780 3.568 1853 1507 A 123 LEU HBy A 71 THR H 1.0 1.891 4.243 1854 1508 A 33 ALA H A 34 HIS H 1.0 1.984 6.730 1855 1509 A 33 ALA H A 31 HIS HBx 1.0 1.883 8.055 1856 1510 A 49 VAL HGy% A 22 ALA H 1.0 1.804 3.692 1857 1511 A 35 THR HA A 50 ARG H 1.0 2.000 6.004 1858 1512 A 18 ALA HB% A 14 ASP H 1.0 1.956 7.226 1859 1513 A 58 HIS HA A 58 HIS H 1.0 1.972 5.082 1860 1514 A 11 ARG HBy A 11 ARG H 1.0 1.875 4.127 1861 1515 A 30 ASN H A 30 ASN HD21 1.0 1.997 5.689 1862 1516 A 128 PHE HEx A 77 ILE H 1.0 1.995 6.409 1863 1516 A 128 PHE HEy A 77 ILE H 1.0 1.995 6.409 1864 1517 A 123 LEU HD11 A 103 TRP HE1 1.0 1.926 4.538 1865 1518 A 52 VAL HA A 68 LEU H 1.0 1.964 4.966 1866 1519 A 9 THR HG2% A 10 ALA H 1.0 1.904 4.340 1867 1520 A 126 LEU HBx A 125 GLY H 1.0 1.971 6.993 1868 1521 A 126 LEU HDx% A 72 TRP HE1 1.0 2.000 6.010 1869 1522 A 92 TYR HDy A 129 GLU H 1.0 1.979 6.837 1870 1522 A 92 TYR HDx A 129 GLU H 1.0 1.979 6.837 1871 1523 A 92 TYR HEy A 129 GLU H 1.0 1.949 7.331 1872 1523 A 92 TYR HEx A 129 GLU H 1.0 1.949 7.331 1873 1524 A 126 LEU HG A 72 TRP HE1 1.0 2.000 5.962 1874 1525 A 117 ALA H A 108 GLY HAy 1.0 1.962 7.136 1875 1526 A 13 PHE HDx A 18 ALA H 1.0 2.000 6.024 1876 1526 A 13 PHE HDy A 18 ALA H 1.0 2.000 6.024 1877 1527 A 128 PHE HDy A 129 GLU H 1.0 1.970 7.012 1878 1527 A 128 PHE HDx A 129 GLU H 1.0 1.970 7.012 1879 1528 A 38 VAL HGx% A 48 GLN HE22 1.0 2.000 6.016 1880 1529 A 38 VAL HGx% A 48 GLN HE21 1.0 1.976 5.154 1881 1530 A 6 SER HA A 6 SER H 1.0 1.697 3.191 1882 1531 A 38 VAL HB A 48 GLN H 1.0 1.749 3.415 1883 1532 A 96 LEU HG A 93 LEU H 1.0 1.983 6.737 1884 1533 A 68 LEU HDx% A 123 LEU H 1.0 1.913 4.419 1885 1534 A 67 ASN HBx A 68 LEU H 1.0 1.895 7.933 1886 1535 A 69 ALA HB% A 67 ASN HD22 1.0 1.949 4.769 1887 1536 A 122 LEU HDy% A 67 ASN HD22 1.0 1.965 4.975 1888 1537 A 83 ALA H A 85 GLY H 1.0 1.948 7.340 1889 1538 A 84 ASP HA A 85 GLY H 1.0 1.890 4.234 1890 1539 A 122 LEU HDy% A 67 ASN HD21 1.0 1.914 4.422 1891 1540 A 69 ALA HB% A 67 ASN HD21 1.0 1.965 4.971 1892 1541 A 16 GLU HGy A 16 GLU H 1.0 1.995 5.611 1893 1542 A 97 PRO HDy A 98 ARG H 1.0 1.833 3.853 1894 1543 A 12 ARG HA A 15 THR H 1.0 1.896 4.280 1895 1544 A 110 ASP HA A 111 PHE H 1.0 1.729 3.323 1896 1545 A 104 GLU HGx A 111 PHE H 1.0 1.999 6.215 1897 1546 A 10 ALA HA A 13 PHE H 1.0 1.976 5.144 1898 1547 A 70 LEU HBx A 49 VAL H 1.0 1.762 3.478 1899 1548 A 40 TYR HEy A 43 HIS H 1.0 1.963 7.117 1900 1548 A 40 TYR HEx A 43 HIS H 1.0 1.963 7.117 1901 1549 A 116 GLN HA A 110 ASP H 1.0 1.893 4.255 1902 1550 A 109 VAL HGx% A 110 ASP H 1.0 1.961 4.913 1903 1551 A 116 GLN HE21 A 121 VAL HGx% 1.0 1.940 4.666 1904 1552 A 116 GLN HE22 A 120 LEU HA 1.0 1.851 3.963 1905 1553 A 116 GLN HE21 A 120 LEU HA 1.0 1.945 4.729 1906 1554 A 126 LEU HG A 103 TRP HE1 1.0 1.893 6.000 1907 1555 A 128 PHE H A 127 ASP HBx 1.0 1.618 2.886 1908 1556 A 53 ALA HA A 34 HIS H 1.0 1.935 4.621 1909 1557 A 52 VAL HGx% A 53 ALA H 1.0 1.723 3.297 1910 1558 A 66 LEU H A 115 THR HA 1.0 1.910 4.394 1911 1559 A 29 LEU HG A 29 LEU H 1.0 1.485 2.457 1912 1560 A 108 GLY HAx A 109 VAL H 1.0 1.940 4.666 1913 1561 A 108 GLY HAy A 109 VAL H 1.0 1.900 4.314 1914 1562 A 104 GLU HBx A 109 VAL H 1.0 2.000 6.118 1915 1563 A 99 LYS HBy A 98 ARG H 1.0 1.987 6.663 1916 1564 A 117 ALA H A 118 ASP HBy 1.0 1.948 7.340 1917 1565 A 117 ALA H A 109 VAL HGx% 1.0 1.982 6.772 1918 1566 A 62 TYR HBx A 116 GLN H 1.0 1.999 5.917 1919 1567 A 62 TYR HBy A 116 GLN H 1.0 1.899 4.299 1920 1568 A 120 LEU HBy A 121 VAL H 1.0 1.998 6.256 1921 1569 A 116 GLN HBx A 118 ASP H 1.0 1.715 3.267 1922 1570 A 82 GLU HBx A 85 GLY H 1.0 1.979 5.205 1923 1571 A 83 ALA HA A 85 GLY H 1.0 1.987 5.379 1924 1572 A 82 GLU H A 85 GLY H 1.0 1.999 6.201 1925 1573 A 127 ASP HBx A 129 GLU H 1.0 1.984 5.290 1926 1574 A 108 GLY HAx A 107 ARG H 1.0 1.685 9.491 1927 1575 A 104 GLU HA A 107 ARG H 1.0 1.990 5.444 1928 1576 A 108 GLY HAy A 107 ARG H 1.0 1.704 9.374 1929 1577 A 109 VAL HGx% A 107 ARG H 1.0 1.997 6.307 1930 1578 A 30 ASN HA A 30 ASN HBy 1.0 1.841 3.905 1931 1579 A 35 THR HB A 35 THR HA 1.0 1.675 3.101 1932 1580 A 37 VAL HA A 37 VAL HB 1.0 1.805 3.701 1933 1581 A 39 GLY HAx A 39 GLY HAy 1.0 1.488 2.466 1934 1582 A 103 TRP HZ2 A 103 TRP HH2 1.0 1.644 2.984 1935 1583 A 80 LEU HDx% A 128 PHE HEy 1.0 1.971 5.061 1936 1583 A 80 LEU HDx% A 128 PHE HEx 1.0 1.971 5.061 1937 1584 A 103 TRP HE3 A 103 TRP HH2 1.0 1.999 5.821 1938 1585 A 103 TRP HBx A 103 TRP HZ3 1.0 1.881 8.067 1939 1586 A 103 TRP HBy A 103 TRP HD1 1.0 2.000 5.902 1940 1587 A 31 HIS HBy A 31 HIS HD2 1.0 1.977 6.879 1941 1588 A 31 HIS HBx A 31 HIS HD2 1.0 1.924 4.520 1942 1589 A 103 TRP HD1 A 103 TRP HA 1.0 1.628 2.920 1943 1590 A 55 HIS HA A 55 HIS HD2 1.0 1.998 6.270 1944 1591 A 103 TRP HD1 A 103 TRP HBx 1.0 1.997 5.677 1945 1592 A 103 TRP HE3 A 103 TRP HD1 1.0 1.982 6.768 1946 1593 A 103 TRP HZ2 A 103 TRP HD1 1.0 1.985 6.699 1947 1594 A 34 HIS HA A 34 HIS HD2 1.0 1.980 6.818 1948 1595 A 64 HIS HA A 64 HIS HD2 1.0 1.988 6.646 1949 1596 A 62 TYR HA A 62 TYR HDy 1.0 1.944 4.712 1950 1596 A 62 TYR HA A 62 TYR HDx 1.0 1.944 4.712 1951 1597 A 62 TYR HA A 62 TYR HEy 1.0 1.891 7.981 1952 1597 A 62 TYR HA A 62 TYR HEx 1.0 1.891 7.981 1953 1598 A 62 TYR HBy A 62 TYR HEy 1.0 1.881 8.069 1954 1598 A 62 TYR HBy A 62 TYR HEx 1.0 1.881 8.069 1955 1599 A 62 TYR HBx A 62 TYR HEy 1.0 1.841 8.417 1956 1599 A 62 TYR HBx A 62 TYR HEx 1.0 1.841 8.417 1957 1600 A 40 TYR HDy A 40 TYR HBy 1.0 1.904 4.346 1958 1600 A 40 TYR HDx A 40 TYR HBy 1.0 1.904 4.346 1959 1601 A 40 TYR HEy A 40 TYR HBx 1.0 1.925 7.619 1960 1601 A 40 TYR HEx A 40 TYR HBx 1.0 1.925 7.619 1961 1602 A 40 TYR HEy A 40 TYR HBy 1.0 1.981 6.811 1962 1602 A 40 TYR HEx A 40 TYR HBy 1.0 1.981 6.811 1963 1603 A 111 PHE HEy A 111 PHE HA 1.0 2.000 6.094 1964 1603 A 111 PHE HEx A 111 PHE HA 1.0 2.000 6.094 1965 1604 A 111 PHE HDy A 111 PHE HBx 1.0 1.857 4.003 1966 1604 A 111 PHE HDx A 111 PHE HBx 1.0 1.857 4.003 1967 1605 A 128 PHE HEy A 77 ILE HG1y 1.0 1.999 6.215 1968 1605 A 128 PHE HEx A 77 ILE HG1y 1.0 1.999 6.215 1969 1606 A 80 LEU HDx% A 128 PHE HZ 1.0 1.989 5.431 1970 1607 A 77 ILE HG1y A 128 PHE HZ 1.0 1.970 5.050 1971 1608 A 128 PHE HBy A 128 PHE HEy 1.0 1.983 6.749 1972 1608 A 128 PHE HBy A 128 PHE HEx 1.0 1.983 6.749 1973 1609 A 128 PHE HDy A 128 PHE HZ 1.0 1.973 6.959 1974 1609 A 128 PHE HDx A 128 PHE HZ 1.0 1.973 6.959 1975 1610 A 111 PHE HDy A 111 PHE HA 1.0 1.925 4.521 1976 1610 A 111 PHE HDx A 111 PHE HA 1.0 1.925 4.521 1977 1611 A 17 PHE HDy A 17 PHE HA 1.0 1.927 4.541 1978 1611 A 17 PHE HDx A 17 PHE HA 1.0 1.927 4.541 1979 1612 A 17 PHE HZ A 17 PHE HEy 1.0 1.841 3.903 1980 1612 A 17 PHE HZ A 17 PHE HEx 1.0 1.841 3.903 1981 1613 A 111 PHE HDy A 111 PHE HBy 1.0 1.886 4.206 1982 1613 A 111 PHE HDx A 111 PHE HBy 1.0 1.886 4.206 1983 1614 A 111 PHE HEy A 111 PHE HBy 1.0 1.973 5.109 1984 1614 A 111 PHE HEx A 111 PHE HBy 1.0 1.973 5.109 1985 1615 A 111 PHE HEy A 111 PHE HBx 1.0 1.981 5.251 1986 1615 A 111 PHE HEx A 111 PHE HBx 1.0 1.981 5.251 1987 1616 A 111 PHE HDy A 111 PHE HZ 1.0 1.960 4.912 1988 1616 A 111 PHE HDx A 111 PHE HZ 1.0 1.960 4.912 1989 1617 A 13 PHE HDy A 13 PHE HZ 1.0 1.976 6.896 1990 1617 A 13 PHE HDx A 13 PHE HZ 1.0 1.976 6.896 1991 1618 A 13 PHE HEy A 13 PHE HBx 1.0 1.974 6.934 1992 1618 A 13 PHE HEx A 13 PHE HBx 1.0 1.974 6.934 1993 1619 A 13 PHE HDy A 13 PHE HBx 1.0 1.987 6.651 1994 1619 A 13 PHE HDx A 13 PHE HBx 1.0 1.987 6.651 1995 1620 A 13 PHE HDy A 13 PHE HBy 1.0 1.806 3.704 1996 1620 A 13 PHE HDx A 13 PHE HBy 1.0 1.806 3.704 1997 1621 A 92 TYR HEy A 92 TYR HDx 1.0 1.999 5.833 1998 1621 A 92 TYR HEy A 92 TYR HDy 1.0 1.999 5.833 1999 1621 A 92 TYR HEx A 92 TYR HDy 1.0 1.999 5.833 2000 1621 A 92 TYR HEx A 92 TYR HDx 1.0 1.999 5.833 2001 1622 A 92 TYR HBy A 92 TYR HDy 1.0 1.998 6.256 2002 1622 A 92 TYR HBy A 92 TYR HDx 1.0 1.998 6.256 2003 1623 A 72 TRP HE3 A 72 TRP HZ3 1.0 1.787 3.603 2004 1624 A 13 PHE HEy A 72 TRP HE3 1.0 1.991 5.467 2005 1624 A 13 PHE HEx A 72 TRP HE3 1.0 1.991 5.467 2006 1625 A 72 TRP HE3 A 13 PHE HZ 1.0 1.994 5.564 2007 1626 A 128 PHE HZ A 13 PHE HZ 1.0 1.960 4.902 2008 1627 A 77 ILE HD1% A 77 ILE HG1y 1.0 1.775 3.545 2009 1628 A 40 TYR HEx A 40 TYR HDy 1.0 1.901 4.317 2010 1628 A 40 TYR HEy A 40 TYR HDx 1.0 1.901 4.317 2011 1628 A 40 TYR HEx A 40 TYR HDx 1.0 1.901 4.317 2012 1628 A 40 TYR HEy A 40 TYR HDy 1.0 1.901 4.317 2013 1629 A 80 LEU HDx% A 128 PHE HDx 1.0 2.000 6.040 2014 1629 A 80 LEU HDx% A 128 PHE HDy 1.0 2.000 6.040 2015 1630 A 103 TRP HA A 103 TRP HBx 1.0 1.949 4.781 2016 1631 A 128 PHE HEy A 13 PHE HZ 1.0 1.996 6.356 2017 1631 A 128 PHE HEx A 13 PHE HZ 1.0 1.996 6.356 2018 1632 A 89 PHE HEy A 17 PHE HDx 1.0 1.774 8.918 2019 1632 A 89 PHE HEy A 17 PHE HDy 1.0 1.774 8.918 2020 1632 A 89 PHE HEx A 17 PHE HDy 1.0 1.774 8.918 2021 1632 A 89 PHE HEx A 17 PHE HDx 1.0 1.774 8.918 2022 1633 A 89 PHE HDy A 17 PHE HDx 1.0 1.914 7.740 2023 1633 A 89 PHE HDx A 17 PHE HDy 1.0 1.914 7.740 2024 1633 A 89 PHE HDx A 17 PHE HDx 1.0 1.914 7.740 2025 1633 A 89 PHE HDy A 17 PHE HDy 1.0 1.914 7.740 2026 1634 A 115 THR HB A 115 THR HA 1.0 1.729 3.325 2027 1635 A 77 ILE HG2% A 77 ILE HA 1.0 1.789 3.613 2028 1636 A 104 GLU HA A 104 GLU HBy 1.0 1.800 3.672 2029 1637 A 77 ILE HG2% A 77 ILE HG1y 1.0 1.830 3.842 2030 1638 A 77 ILE HA A 77 ILE HG1y 1.0 1.885 4.201 2031 1639 A 77 ILE HB A 77 ILE HG1y 1.0 1.974 6.946 2032 1640 A 43 HIS HA A 43 HIS HD2 1.0 1.857 8.283 2033 1641 A 43 HIS HBx A 43 HIS HD2 1.0 2.000 6.100 2034 1642 A 43 HIS HBy A 43 HIS HD2 1.0 1.987 5.375 2035 1643 A 43 HIS HE1 A 43 HIS HD2 1.0 1.681 9.511 2036 1644 A 67 ASN HA A 52 VAL HA 1.0 1.843 3.917 2037 1645 A 51 ILE HG2% A 51 ILE HA 1.0 1.811 3.729 2038 1646 A 51 ILE HB A 51 ILE HA 1.0 1.985 5.327 2039 1647 A 72 TRP HE3 A 72 TRP HZ2 1.0 1.958 7.208 2040 1648 A 70 LEU HDy% A 103 TRP HH2 1.0 1.818 3.768 2041 1649 A 70 LEU HBy A 72 TRP HH2 1.0 1.841 3.905 2042 1650 A 70 LEU HDx% A 72 TRP HH2 1.0 1.796 3.648 2043 1651 A 115 THR HG2% A 115 THR HA 1.0 1.692 3.170 2044 1652 A 89 PHE HDy A 80 LEU HDx% 1.0 1.915 4.435 2045 1652 A 89 PHE HDx A 80 LEU HDx% 1.0 1.915 4.435 2046 1653 A 73 ASN HA A 73 ASN HBx 1.0 1.885 4.191 2047 1654 A 127 ASP HA A 72 TRP HD1 1.0 1.999 6.119 2048 1655 A 22 ALA HB% A 21 ILE HB 1.0 1.900 4.310 2049 1656 A 89 PHE HDx A 21 ILE HD1% 1.0 1.958 6.000 2050 1656 A 89 PHE HDy A 21 ILE HD1% 1.0 1.958 6.000 2051 1657 A 21 ILE HD1% A 72 TRP HZ2 1.0 1.900 4.316 2052 1658 A 100 LEU HDx% A 103 TRP HZ3 1.0 1.920 4.480 2053 1659 A 70 LEU HDx% A 103 TRP HZ3 1.0 1.982 5.272 2054 1660 A 128 PHE HEy A 77 ILE HG1x 1.0 1.917 7.717 2055 1660 A 128 PHE HEx A 77 ILE HG1x 1.0 1.917 7.717 2056 1661 A 128 PHE HEy A 77 ILE HB 1.0 1.912 7.766 2057 1661 A 128 PHE HEx A 77 ILE HB 1.0 1.912 7.766 2058 1662 A 72 TRP HBy A 128 PHE HEy 1.0 1.936 7.492 2059 1662 A 72 TRP HBy A 128 PHE HEx 1.0 1.936 7.492 2060 1663 A 128 PHE HEy A 72 TRP HD1 1.0 1.764 8.986 2061 1663 A 128 PHE HEx A 72 TRP HD1 1.0 1.764 8.986 2062 1664 A 9 THR HG2% A 10 ALA HA 1.0 1.767 3.503 2063 1665 A 96 LEU HBx A 96 LEU HBy 1.0 1.271 1.899 2064 1666 A 19 PRO HA A 19 PRO HGx 1.0 1.661 3.045 2065 1667 A 70 LEU HDy% A 72 TRP HZ2 1.0 1.944 4.718 2066 1668 A 89 PHE HDy A 128 PHE HDx 1.0 1.991 5.475 2067 1668 A 89 PHE HDy A 128 PHE HDy 1.0 1.991 5.475 2068 1668 A 89 PHE HDx A 128 PHE HDy 1.0 1.991 5.475 2069 1668 A 89 PHE HDx A 128 PHE HDx 1.0 1.991 5.475 2070 1669 A 92 TYR HEy A 128 PHE HDy 1.0 1.501 10.495 2071 1669 A 92 TYR HEy A 128 PHE HDx 1.0 1.501 10.495 2072 1669 A 92 TYR HEx A 128 PHE HDy 1.0 1.501 10.495 2073 1669 A 92 TYR HEx A 128 PHE HDx 1.0 1.501 10.495 2074 1670 A 70 LEU HDx% A 70 LEU HBx 1.0 1.407 2.237 2075 1671 A 100 LEU HDx% A 103 TRP HE3 1.0 1.809 3.721 2076 1672 A 103 TRP HZ2 A 126 LEU HBx 1.0 1.898 7.912 2077 1673 A 89 PHE HZ A 17 PHE HA 1.0 1.990 5.456 2078 1674 A 89 PHE HEy A 17 PHE HA 1.0 1.975 5.135 2079 1674 A 89 PHE HEx A 17 PHE HA 1.0 1.975 5.135 2080 1675 A 86 ALA HA A 17 PHE HEy 1.0 2.000 6.026 2081 1675 A 86 ALA HA A 17 PHE HEx 1.0 2.000 6.026 2082 1676 A 66 LEU HA A 66 LEU HBx 1.0 1.570 2.722 2083 1677 A 89 PHE HDy A 17 PHE HEx 1.0 1.951 7.301 2084 1677 A 89 PHE HDy A 17 PHE HEy 1.0 1.951 7.301 2085 1677 A 89 PHE HDx A 17 PHE HEy 1.0 1.951 7.301 2086 1677 A 89 PHE HDx A 17 PHE HEx 1.0 1.951 7.301 2087 1678 A 96 LEU HDy% A 72 TRP HZ2 1.0 1.895 6.000 2088 1679 A 80 LEU HG A 77 ILE HA 1.0 1.982 5.272 2089 1680 A 9 THR HA A 12 ARG HBx 1.0 1.999 5.821 2090 1681 A 40 TYR HA A 40 TYR HEy 1.0 2.000 5.958 2091 1681 A 40 TYR HEx A 40 TYR HA 1.0 2.000 5.958 2092 1682 A 34 HIS HD2 A 35 THR HA 1.0 2.000 6.072 2093 1683 A 100 LEU HDx% A 111 PHE HZ 1.0 1.870 4.086 2094 1684 A 103 TRP HE3 A 100 LEU HG 1.0 1.988 5.402 2095 1685 A 66 LEU HA A 115 THR HA 1.0 1.994 6.422 2096 1686 A 116 GLN HGy A 115 THR HA 1.0 1.987 5.367 2097 1687 A 116 GLN HBy A 115 THR HA 1.0 1.997 6.329 2098 1688 A 66 LEU HBy A 115 THR HA 1.0 1.994 6.428 2099 1689 A 103 TRP HZ3 A 99 LYS HBx 1.0 1.992 6.488 2100 1690 A 99 LYS HBy A 103 TRP HH2 1.0 1.862 4.042 2101 1691 A 92 TYR HA A 130 ALA HB% 1.0 1.730 3.328 2102 1692 A 92 TYR HBy A 130 ALA HB% 1.0 1.978 5.172 2103 1693 A 100 LEU HG A 103 TRP HZ3 1.0 1.996 6.374 2104 1694 A 111 PHE HEy A 100 LEU HDx% 1.0 1.986 5.340 2105 1694 A 111 PHE HEx A 100 LEU HDx% 1.0 1.986 5.340 2106 1695 A 15 THR H A 16 GLU H 1.0 1.664 3.058 2107 1696 A 22 ALA HA A 22 ALA H 1.0 1.781 3.573 2108 1697 A 16 GLU HA A 16 GLU H 1.0 1.859 4.015 2109 1698 A 123 LEU HA A 123 LEU H 1.0 1.896 4.284 2110 1699 A 12 ARG HA A 12 ARG H 1.0 1.773 3.529 2111 1700 A 10 ALA HA A 10 ALA H 1.0 1.729 3.325 2112 1701 A 26 ALA HA A 26 ALA H 1.0 1.589 2.783 2113 1702 A 9 THR HA A 9 THR H 1.0 1.843 3.911 2114 1703 A 20 ARG H A 20 ARG HA 1.0 1.726 3.312 2115 1704 A 15 THR HB A 15 THR HA 1.0 1.611 2.861 2116 1705 A 23 ARG HA A 23 ARG H 1.0 1.663 3.053 2117 1706 A 25 ILE HA A 25 ILE H 1.0 1.818 3.772 2118 1707 A 27 ASP H A 27 ASP HA 1.0 1.746 3.402 2119 1708 A 33 ALA H A 33 ALA HB% 1.0 1.624 2.910 2120 1709 A 9 THR HA A 9 THR HG2% 1.0 1.633 2.939 2121 1710 A 10 ALA HA A 10 ALA HB% 1.0 1.535 2.607 2122 1711 A 10 ALA HB% A 10 ALA H 1.0 1.602 2.832 2123 1712 A 14 ASP HA A 14 ASP HBx 1.0 1.596 2.810 2124 1713 A 14 ASP HA A 14 ASP HBy 1.0 1.796 3.650 2125 1714 A 22 ALA HB% A 22 ALA HA 1.0 1.568 2.714 2126 1715 A 21 ILE HA A 21 ILE HB 1.0 1.689 3.157 2127 1716 A 33 ALA HA A 33 ALA HB% 1.0 1.572 2.726 2128 1717 A 38 VAL HA A 39 GLY H 1.0 1.595 2.805 2129 1718 A 72 TRP HBy A 73 ASN H 1.0 1.937 4.635 2130 1719 A 103 TRP HZ2 A 103 TRP HZ3 1.0 1.976 5.150 2131 1720 A 103 TRP HZ3 A 103 TRP HH2 1.0 1.627 2.919 2132 1721 A 103 TRP HE3 A 103 TRP HBx 1.0 1.842 3.910 2133 1722 A 58 HIS HA A 58 HIS HD2 1.0 1.900 7.886 2134 1723 A 103 TRP HE3 A 103 TRP HZ3 1.0 1.663 3.053 2135 1724 A 55 HIS HBx A 55 HIS HD2 1.0 1.852 3.972 2136 1725 A 55 HIS HD2 A 55 HIS HE1 1.0 1.935 4.623 2137 1726 A 62 TYR HBx A 62 TYR HDy 1.0 1.894 4.264 2138 1726 A 62 TYR HBx A 62 TYR HDx 1.0 1.894 4.264 2139 1727 A 62 TYR HBy A 62 TYR HDy 1.0 1.955 4.841 2140 1727 A 62 TYR HBy A 62 TYR HDx 1.0 1.955 4.841 2141 1728 A 62 TYR HDx A 62 TYR HEy 1.0 1.830 3.840 2142 1728 A 62 TYR HDy A 62 TYR HEx 1.0 1.830 3.840 2143 1728 A 62 TYR HDx A 62 TYR HEx 1.0 1.830 3.840 2144 1728 A 62 TYR HDy A 62 TYR HEy 1.0 1.830 3.840 2145 1729 A 40 TYR HDy A 40 TYR HBx 1.0 1.921 4.491 2146 1729 A 40 TYR HDx A 40 TYR HBx 1.0 1.921 4.491 2147 1730 A 72 TRP HZ2 A 72 TRP HE1 1.0 1.816 3.760 2148 1731 A 17 PHE HZ A 17 PHE HDy 1.0 2.000 6.078 2149 1731 A 17 PHE HDx A 17 PHE HZ 1.0 2.000 6.078 2150 1732 A 17 PHE HDy A 17 PHE HEy 1.0 1.853 3.975 2151 1732 A 17 PHE HDx A 17 PHE HEy 1.0 1.853 3.975 2152 1732 A 17 PHE HDy A 17 PHE HEx 1.0 1.853 3.975 2153 1732 A 17 PHE HDx A 17 PHE HEx 1.0 1.853 3.975 2154 1733 A 128 PHE HEy A 128 PHE HZ 1.0 1.864 4.054 2155 1733 A 128 PHE HEx A 128 PHE HZ 1.0 1.864 4.054 2156 1734 A 128 PHE HEx A 128 PHE HDy 1.0 1.904 4.346 2157 1734 A 128 PHE HEy A 128 PHE HDy 1.0 1.904 4.346 2158 1734 A 128 PHE HEy A 128 PHE HDx 1.0 1.904 4.346 2159 1734 A 128 PHE HEx A 128 PHE HDx 1.0 1.904 4.346 2160 1735 A 128 PHE HA A 128 PHE HDy 1.0 1.990 5.460 2161 1735 A 128 PHE HA A 128 PHE HDx 1.0 1.990 5.460 2162 1736 A 128 PHE HBx A 128 PHE HDy 1.0 1.931 4.579 2163 1736 A 128 PHE HBx A 128 PHE HDx 1.0 1.931 4.579 2164 1737 A 128 PHE HBy A 128 PHE HDy 1.0 1.846 3.934 2165 1737 A 128 PHE HBy A 128 PHE HDx 1.0 1.846 3.934 2166 1738 A 111 PHE HEy A 111 PHE HZ 1.0 1.738 3.364 2167 1738 A 111 PHE HEx A 111 PHE HZ 1.0 1.738 3.364 2168 1739 A 89 PHE HDy A 89 PHE HZ 1.0 1.947 4.753 2169 1739 A 89 PHE HDx A 89 PHE HZ 1.0 1.947 4.753 2170 1740 A 89 PHE HEy A 89 PHE HZ 1.0 1.749 3.417 2171 1740 A 89 PHE HEx A 89 PHE HZ 1.0 1.749 3.417 2172 1741 A 89 PHE HA A 89 PHE HDy 1.0 1.890 4.230 2173 1741 A 89 PHE HA A 89 PHE HDx 1.0 1.890 4.230 2174 1742 A 89 PHE HBx A 89 PHE HEy 1.0 1.984 5.300 2175 1742 A 89 PHE HBx A 89 PHE HEx 1.0 1.984 5.300 2176 1743 A 89 PHE HBx A 89 PHE HDy 1.0 1.888 4.222 2177 1743 A 89 PHE HBx A 89 PHE HDx 1.0 1.888 4.222 2178 1744 A 89 PHE HBy A 89 PHE HEy 1.0 1.979 5.191 2179 1744 A 89 PHE HBy A 89 PHE HEx 1.0 1.979 5.191 2180 1745 A 89 PHE HBy A 89 PHE HDy 1.0 1.871 4.097 2181 1745 A 89 PHE HBy A 89 PHE HDx 1.0 1.871 4.097 2182 1746 A 17 PHE HDy A 17 PHE HBx 1.0 1.965 4.981 2183 1746 A 17 PHE HDx A 17 PHE HBx 1.0 1.965 4.981 2184 1747 A 17 PHE HDy A 17 PHE HBy 1.0 1.927 4.543 2185 1747 A 17 PHE HDx A 17 PHE HBy 1.0 1.927 4.543 2186 1748 A 13 PHE HEy A 13 PHE HZ 1.0 1.788 3.610 2187 1748 A 13 PHE HEx A 13 PHE HZ 1.0 1.788 3.610 2188 1749 A 92 TYR HA A 92 TYR HDy 1.0 1.995 6.423 2189 1749 A 92 TYR HA A 92 TYR HDx 1.0 1.995 6.423 2190 1750 A 64 HIS HE1 A 64 HIS HD2 1.0 1.967 7.055 2191 1751 A 30 ASN HA A 30 ASN HD21 1.0 1.997 6.321 2192 1752 A 30 ASN HBx A 30 ASN HD21 1.0 1.908 4.374 2193 1753 A 68 LEU HBy A 51 ILE H 1.0 1.732 3.338 2194 1754 A 122 LEU HBx A 122 LEU H 1.0 1.962 4.936 2195 1755 A 73 ASN HBy A 73 ASN HD22 1.0 1.886 8.022 2196 1756 A 95 ALA H A 95 ALA HB% 1.0 1.444 2.338 2197 1757 A 94 ALA HB% A 94 ALA H 1.0 1.542 2.628 2198 1758 A 120 LEU HBy A 120 LEU H 1.0 1.818 3.766 2199 1759 A 80 LEU HDx% A 80 LEU HA 1.0 2.000 5.914 2200 1760 A 80 LEU HDy% A 80 LEU HA 1.0 1.653 3.015 2201 1761 A 37 VAL HA A 38 VAL H 1.0 1.613 2.867 2202 1762 A 9 THR HG2% A 9 THR H 1.0 1.877 4.143 2203 1763 A 49 VAL HA A 50 ARG H 1.0 1.562 2.694 2204 1764 A 80 LEU HDx% A 80 LEU HBy 1.0 1.720 3.288 2205 1765 A 80 LEU HDx% A 80 LEU HDy% 1.0 1.471 2.413 2206 1766 A 80 LEU HDx% A 80 LEU HBx 1.0 1.764 3.488 2207 1767 A 80 LEU HG A 80 LEU HDx% 1.0 1.592 2.794 2208 1768 A 68 LEU HDy% A 68 LEU H 1.0 1.993 5.543 2209 1769 A 68 LEU HA A 68 LEU H 1.0 1.893 4.255 2210 1770 A 68 LEU HBx A 68 LEU H 1.0 1.959 4.893 2211 1771 A 27 ASP HBy A 28 LEU H 1.0 1.996 6.342 2212 1772 A 25 ILE HA A 26 ALA H 1.0 1.976 5.150 2213 1773 A 77 ILE HG2% A 77 ILE H 1.0 1.984 6.734 2214 1774 A 37 VAL HB A 38 VAL H 1.0 1.992 5.522 2215 1775 A 104 GLU HBx A 104 GLU H 1.0 1.998 5.764 2216 1776 A 80 LEU HG A 128 PHE HDy 1.0 1.979 6.855 2217 1776 A 80 LEU HG A 128 PHE HDx 1.0 1.979 6.855 2218 1777 A 19 PRO HA A 19 PRO HGy 1.0 1.870 4.088 2219 1778 A 100 LEU H A 99 LYS HBy 1.0 1.805 3.699 2220 1779 A 11 ARG HA A 14 ASP H 1.0 1.975 5.129 2221 1780 A 73 ASN HBx A 76 GLU H 1.0 1.890 4.232 2222 1781 A 73 ASN HBy A 76 GLU H 1.0 1.927 4.547 2223 1782 A 109 VAL HGy% A 111 PHE H 1.0 1.998 6.206 2224 1783 A 37 VAL HGx% A 22 ALA H 1.0 1.944 6.000 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 11 ARG H A 7 PRO O 1.0 1.73 2.7 2 2 A 12 ARG H A 8 ASP O 1.0 1.73 2.7 3 3 A 13 PHE H A 9 THR O 1.0 1.73 2.7 4 4 A 10 ALA O A 14 ASP H 1.0 1.73 2.7 5 5 A 20 ARG H A 17 PHE O 1.0 1.73 2.7 6 6 A 22 ALA H A 18 ALA O 1.0 1.73 2.7 7 7 A 23 ARG H A 19 PRO O 1.0 1.73 2.7 8 8 A 24 ALA H A 20 ARG O 1.0 1.73 2.7 9 9 A 21 ILE O A 25 ILE H 1.0 1.73 2.7 10 10 A 26 ALA H A 22 ALA O 1.0 1.73 2.7 11 11 A 27 ASP H A 23 ARG O 1.0 1.73 2.7 12 12 A 24 ALA O A 28 LEU H 1.0 1.73 2.7 13 13 A 36 ASP H A 50 ARG O 1.0 1.73 2.7 14 14 A 48 GLN O A 38 VAL H 1.0 1.73 2.7 15 15 A 38 VAL O A 48 GLN H 1.0 1.73 2.7 16 16 A 36 ASP O A 50 ARG H 1.0 1.73 2.7 17 17 A 51 ILE H A 68 LEU O 1.0 1.73 2.7 18 18 A 52 VAL H A 34 HIS O 1.0 1.73 2.7 19 19 A 66 LEU O A 53 ALA H 1.0 1.73 2.7 20 20 A 51 ILE O A 68 LEU H 1.0 1.73 2.7 21 21 A 121 VAL O A 69 ALA H 1.0 1.73 2.7 22 22 A 49 VAL O A 70 LEU H 1.0 1.73 2.7 23 23 A 123 LEU O A 71 THR H 1.0 1.73 2.7 24 24 A 73 ASN H A 126 LEU O 1.0 1.73 2.7 25 25 A 73 ASN O A 76 GLU H 1.0 1.73 2.7 26 26 A 73 ASN O A 77 ILE H 1.0 1.73 2.7 27 27 A 78 GLU H A 74 THR O 1.0 1.73 2.7 28 28 A 75 ASP O A 79 ARG H 1.0 1.73 2.7 29 29 A 80 LEU H A 77 ILE O 1.0 1.73 2.7 30 30 A 78 GLU O A 81 MET H 1.0 1.73 2.7 31 31 A 82 GLU H A 79 ARG O 1.0 1.73 2.7 32 32 A 82 GLU O A 85 GLY H 1.0 1.73 2.7 33 33 A 82 GLU O A 86 ALA H 1.0 1.73 2.7 34 34 A 83 ALA O A 87 ALA H 1.0 1.73 2.7 35 35 A 84 ASP O A 88 ARG H 1.0 1.73 2.7 36 36 A 89 PHE H A 85 GLY O 1.0 1.73 2.7 37 37 A 86 ALA O A 90 GLU H 1.0 1.73 2.7 38 38 A 91 ARG H A 87 ALA O 1.0 1.73 2.7 39 39 A 93 LEU H A 89 PHE O 1.0 1.73 2.7 40 40 A 90 GLU O A 94 ALA H 1.0 1.73 2.7 41 41 A 95 ALA O A 98 ARG H 1.0 1.73 2.7 42 42 A 95 ALA O A 99 LYS H 1.0 1.73 2.7 43 43 A 100 LEU H A 96 LEU O 1.0 1.73 2.7 44 44 A 101 ALA H A 97 PRO O 1.0 1.73 2.7 45 45 A 98 ARG O A 102 ALA H 1.0 1.73 2.7 46 46 A 103 TRP H A 99 LYS O 1.0 1.73 2.7 47 47 A 104 GLU H A 100 LEU O 1.0 1.73 2.7 48 48 A 101 ALA O A 105 ASN H 1.0 1.73 2.7 49 49 A 108 GLY H A 104 GLU O 1.0 1.73 2.7 50 50 A 111 PHE H A 104 GLU OE1 1.0 1.73 2.7 51 51 A 112 GLY H A 110 ASP OD1 1.0 1.73 2.7 52 52 A 113 SER H A 110 ASP OD1 1.0 1.73 2.7 53 53 A 114 ARG H A 110 ASP O 1.0 1.73 2.7 54 54 A 67 ASN O A 121 VAL H 1.0 1.73 2.7 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 8 ASP C A 9 THR N A 9 THR CA A 9 THR C 1.0 -81.75 -57.63 PHI 2 2 A 9 THR C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -69.48 -54.72 PHI 3 3 A 10 ALA C A 11 ARG N A 11 ARG CA A 11 ARG C 1.0 -69.73 -56.73 PHI 4 4 A 11 ARG C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -77.04 -57.80 PHI 5 5 A 12 ARG C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -71.37 -62.51 PHI 6 6 A 13 PHE C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -88.09 -47.67 PHI 7 7 A 15 THR C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -94.34 -43.02 PHI 8 8 A 16 GLU C A 17 PHE N A 17 PHE CA A 17 PHE C 1.0 -109.37 -66.03 PHI 9 9 A 18 ALA C A 19 PRO N A 19 PRO CA A 19 PRO C 1.0 -64.42 -50.20 PHI 10 10 A 19 PRO C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -75.33 -57.51 PHI 11 11 A 20 ARG C A 21 ILE N A 21 ILE CA A 21 ILE C 1.0 -74.84 -46.28 PHI 12 12 A 21 ILE C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -71.52 -53.94 PHI 13 13 A 22 ALA C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -70.65 -63.09 PHI 14 14 A 23 ARG C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -70.26 -53.34 PHI 15 15 A 24 ALA C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -71.97 -57.05 PHI 16 16 A 25 ILE C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -65.76 -58.12 PHI 17 17 A 26 ALA C A 27 ASP N A 27 ASP CA A 27 ASP C 1.0 -70.73 -57.93 PHI 18 18 A 27 ASP C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -74.20 -57.16 PHI 19 19 A 28 LEU C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -114.52 -64.78 PHI 20 20 A 31 HIS C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -125.05 -57.73 PHI 21 21 A 32 ARG C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -161.08 -104.02 PHI 22 22 A 33 ALA C A 34 HIS N A 34 HIS CA A 34 HIS C 1.0 -133.52 -86.62 PHI 23 23 A 34 HIS C A 35 THR N A 35 THR CA A 35 THR C 1.0 -158.17 -112.53 PHI 24 24 A 39 GLY C A 40 TYR N A 40 TYR CA A 40 TYR C 1.0 -86.22 -45.64 PHI 25 25 A 46 PRO C A 47 THR N A 47 THR CA A 47 THR C 1.0 -94.68 -60.76 PHI 26 26 A 48 GLN C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -120.98 -91.30 PHI 27 27 A 49 VAL C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -147.13 -87.49 PHI 28 28 A 50 ARG C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -138.82 -109.84 PHI 29 29 A 51 ILE C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -134.06 -113.20 PHI 30 30 A 61 GLY C A 62 TYR N A 62 TYR CA A 62 TYR C 1.0 -103.16 -67.56 PHI 31 31 A 65 PRO C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -125.19 -53.85 PHI 32 32 A 66 LEU C A 67 ASN N A 67 ASN CA A 67 ASN C 1.0 -168.25 -53.71 PHI 33 33 A 67 ASN C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -144.86 -84.80 PHI 34 34 A 68 LEU C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -133.87 -116.63 PHI 35 35 A 69 ALA C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -142.69 -76.25 PHI 36 36 A 70 LEU C A 71 THR N A 71 THR CA A 71 THR C 1.0 -169.18 -113.90 PHI 37 37 A 71 THR C A 72 TRP N A 72 TRP CA A 72 TRP C 1.0 -164.01 -101.67 PHI 38 38 A 72 TRP C A 73 ASN N A 73 ASN CA A 73 ASN C 1.0 -108.28 -57.34 PHI 39 39 A 73 ASN C A 74 THR N A 74 THR CA A 74 THR C 1.0 -60.37 -50.83 PHI 40 40 A 74 THR C A 75 ASP N A 75 ASP CA A 75 ASP C 1.0 -69.28 -48.14 PHI 41 41 A 75 ASP C A 76 GLU N A 76 GLU CA A 76 GLU C 1.0 -78.40 -58.54 PHI 42 42 A 76 GLU C A 77 ILE N A 77 ILE CA A 77 ILE C 1.0 -72.83 -58.85 PHI 43 43 A 77 ILE C A 78 GLU N A 78 GLU CA A 78 GLU C 1.0 -73.07 -56.33 PHI 44 44 A 78 GLU C A 79 ARG N A 79 ARG CA A 79 ARG C 1.0 -71.66 -54.90 PHI 45 45 A 79 ARG C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -93.06 -49.64 PHI 46 46 A 80 LEU C A 81 MET N A 81 MET CA A 81 MET C 1.0 -120.61 -65.47 PHI 47 47 A 85 GLY C A 86 ALA N A 86 ALA CA A 86 ALA C 1.0 -77.61 -56.87 PHI 48 48 A 86 ALA C A 87 ALA N A 87 ALA CA A 87 ALA C 1.0 -70.54 -61.56 PHI 49 49 A 87 ALA C A 88 ARG N A 88 ARG CA A 88 ARG C 1.0 -71.83 -56.41 PHI 50 50 A 88 ARG C A 89 PHE N A 89 PHE CA A 89 PHE C 1.0 -70.08 -59.28 PHI 51 51 A 89 PHE C A 90 GLU N A 90 GLU CA A 90 GLU C 1.0 -67.59 -52.57 PHI 52 52 A 91 ARG C A 92 TYR N A 92 TYR CA A 92 TYR C 1.0 -83.02 -52.10 PHI 53 53 A 92 TYR C A 93 LEU N A 93 LEU CA A 93 LEU C 1.0 -71.88 -50.34 PHI 54 54 A 93 LEU C A 94 ALA N A 94 ALA CA A 94 ALA C 1.0 -75.53 -52.69 PHI 55 55 A 95 ALA C A 96 LEU N A 96 LEU CA A 96 LEU C 1.0 -66.42 -46.30 PHI 56 56 A 98 ARG C A 99 LYS N A 99 LYS CA A 99 LYS C 1.0 -71.57 -60.57 PHI 57 57 A 100 LEU C A 101 ALA N A 101 ALA CA A 101 ALA C 1.0 -67.71 -58.37 PHI 58 58 A 101 ALA C A 102 ALA N A 102 ALA CA A 102 ALA C 1.0 -79.73 -53.69 PHI 59 59 A 103 TRP C A 104 GLU N A 104 GLU CA A 104 GLU C 1.0 -69.95 -56.69 PHI 60 60 A 104 GLU C A 105 ASN N A 105 ASN CA A 105 ASN C 1.0 -79.42 -59.14 PHI 61 61 A 105 ASN C A 106 ALA N A 106 ALA CA A 106 ALA C 1.0 -89.37 -57.01 PHI 62 62 A 106 ALA C A 107 ARG N A 107 ARG CA A 107 ARG C 1.0 -118.44 -93.98 PHI 63 63 A 107 ARG C A 108 GLY N A 108 GLY CA A 108 GLY C 1.0 51.07 91.87 PHI 64 64 A 108 GLY C A 109 VAL N A 109 VAL CA A 109 VAL C 1.0 -140.34 -89.58 PHI 65 65 A 114 ARG C A 115 THR N A 115 THR CA A 115 THR C 1.0 -151.29 -114.47 PHI 66 66 A 118 ASP C A 119 ALA N A 119 ALA CA A 119 ALA C 1.0 -96.61 -72.91 PHI 67 67 A 119 ALA C A 120 LEU N A 120 LEU CA A 120 LEU C 1.0 -167.08 -112.06 PHI 68 68 A 121 VAL C A 122 LEU N A 122 LEU CA A 122 LEU C 1.0 -121.85 -78.05 PHI 69 69 A 122 LEU C A 123 LEU N A 123 LEU CA A 123 LEU C 1.0 -146.46 -69.70 PHI 70 70 A 123 LEU C A 124 GLY N A 124 GLY CA A 124 GLY C 1.0 -164.05 -79.65 PHI 71 71 A 124 GLY C A 125 GLY N A 125 GLY CA A 125 GLY C 1.0 55.99 112.45 PHI 72 72 A 128 PHE C A 129 GLU N A 129 GLU CA A 129 GLU C 1.0 -99.13 -52.47 PHI 73 73 A 9 THR N A 9 THR CA A 9 THR C A 10 ALA N 1.0 -51.02 -30.44 PSI 74 74 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 ARG N 1.0 -50.78 -38.28 PSI 75 75 A 11 ARG N A 11 ARG CA A 11 ARG C A 12 ARG N 1.0 -46.01 -34.61 PSI 76 76 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 PHE N 1.0 -48.81 -20.37 PSI 77 77 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 ASP N 1.0 -48.94 -37.84 PSI 78 78 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 THR N 1.0 -59.09 -18.77 PSI 79 79 A 15 THR N A 15 THR CA A 15 THR C A 16 GLU N 1.0 -58.27 13.73 PSI 80 80 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 PHE N 1.0 -43.40 18.94 PSI 81 81 A 19 PRO N A 19 PRO CA A 19 PRO C A 20 ARG N 1.0 -50.46 -12.80 PSI 82 82 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 ILE N 1.0 -48.23 -26.19 PSI 83 83 A 21 ILE N A 21 ILE CA A 21 ILE C A 22 ALA N 1.0 -56.60 -35.02 PSI 84 84 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 ARG N 1.0 -51.63 -31.73 PSI 85 85 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 ALA N 1.0 -48.93 -32.37 PSI 86 86 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 ILE N 1.0 -46.39 -34.27 PSI 87 87 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 ALA N 1.0 -51.37 -36.01 PSI 88 88 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 ASP N 1.0 -47.21 -33.59 PSI 89 89 A 27 ASP N A 27 ASP CA A 27 ASP C A 28 LEU N 1.0 -47.32 -31.06 PSI 90 90 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 LEU N 1.0 -44.09 -12.63 PSI 91 91 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 ASN N 1.0 -18.49 16.55 PSI 92 92 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 ALA N 1.0 -63.85 27.31 PSI 93 93 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 HIS N 1.0 129.20 178.60 PSI 94 94 A 34 HIS N A 34 HIS CA A 34 HIS C A 35 THR N 1.0 109.73 157.15 PSI 95 95 A 35 THR N A 35 THR CA A 35 THR C A 36 ASP N 1.0 138.28 170.96 PSI 96 96 A 40 TYR N A 40 TYR CA A 40 TYR C A 41 GLY N 1.0 114.53 142.31 PSI 97 97 A 47 THR N A 47 THR CA A 47 THR C A 48 GLN N 1.0 122.76 144.30 PSI 98 98 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 ARG N 1.0 120.49 133.87 PSI 99 99 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 ILE N 1.0 108.54 176.36 PSI 100 100 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 VAL N 1.0 112.63 149.03 PSI 101 101 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 ALA N 1.0 124.69 152.89 PSI 102 102 A 62 TYR N A 62 TYR CA A 62 TYR C A 63 ALA N 1.0 124.58 175.14 PSI 103 103 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 ASN N 1.0 116.82 168.14 PSI 104 104 A 67 ASN N A 67 ASN CA A 67 ASN C A 68 LEU N 1.0 64.09 174.57 PSI 105 105 A 68 LEU N A 68 LEU CA A 68 LEU C A 69 ALA N 1.0 119.28 157.86 PSI 106 106 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 LEU N 1.0 100.80 138.34 PSI 107 107 A 70 LEU N A 70 LEU CA A 70 LEU C A 71 THR N 1.0 101.37 164.43 PSI 108 108 A 71 THR N A 71 THR CA A 71 THR C A 72 TRP N 1.0 151.31 168.27 PSI 109 109 A 72 TRP N A 72 TRP CA A 72 TRP C A 73 ASN N 1.0 111.48 165.66 PSI 110 110 A 73 ASN N A 73 ASN CA A 73 ASN C A 74 THR N 1.0 80.02 162.28 PSI 111 111 A 74 THR N A 74 THR CA A 74 THR C A 75 ASP N 1.0 -62.09 -28.37 PSI 112 112 A 75 ASP N A 75 ASP CA A 75 ASP C A 76 GLU N 1.0 -50.64 -34.98 PSI 113 113 A 76 GLU N A 76 GLU CA A 76 GLU C A 77 ILE N 1.0 -51.99 -27.63 PSI 114 114 A 77 ILE N A 77 ILE CA A 77 ILE C A 78 GLU N 1.0 -48.73 -35.59 PSI 115 115 A 78 GLU N A 78 GLU CA A 78 GLU C A 79 ARG N 1.0 -52.27 -30.43 PSI 116 116 A 79 ARG N A 79 ARG CA A 79 ARG C A 80 LEU N 1.0 -49.18 -29.80 PSI 117 117 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 MET N 1.0 -50.56 -5.26 PSI 118 118 A 81 MET N A 81 MET CA A 81 MET C A 82 GLU N 1.0 -17.20 25.80 PSI 119 119 A 86 ALA N A 86 ALA CA A 86 ALA C A 87 ALA N 1.0 -59.24 -24.82 PSI 120 120 A 87 ALA N A 87 ALA CA A 87 ALA C A 88 ARG N 1.0 -47.32 -32.86 PSI 121 121 A 88 ARG N A 88 ARG CA A 88 ARG C A 89 PHE N 1.0 -45.41 -30.83 PSI 122 122 A 89 PHE N A 89 PHE CA A 89 PHE C A 90 GLU N 1.0 -48.79 -38.11 PSI 123 123 A 90 GLU N A 90 GLU CA A 90 GLU C A 91 ARG N 1.0 -51.57 -33.65 PSI 124 124 A 92 TYR N A 92 TYR CA A 92 TYR C A 93 LEU N 1.0 -57.37 -25.95 PSI 125 125 A 93 LEU N A 93 LEU CA A 93 LEU C A 94 ALA N 1.0 -54.40 -27.72 PSI 126 126 A 94 ALA N A 94 ALA CA A 94 ALA C A 95 ALA N 1.0 -48.55 -18.91 PSI 127 127 A 96 LEU N A 96 LEU CA A 96 LEU C A 97 PRO N 1.0 -55.28 -27.26 PSI 128 128 A 99 LYS N A 99 LYS CA A 99 LYS C A 100 LEU N 1.0 -49.85 -28.59 PSI 129 129 A 101 ALA N A 101 ALA CA A 101 ALA C A 102 ALA N 1.0 -50.08 -31.32 PSI 130 130 A 102 ALA N A 102 ALA CA A 102 ALA C A 103 TRP N 1.0 -49.75 -32.51 PSI 131 131 A 104 GLU N A 104 GLU CA A 104 GLU C A 105 ASN N 1.0 -50.18 -30.90 PSI 132 132 A 105 ASN N A 105 ASN CA A 105 ASN C A 106 ALA N 1.0 -54.68 -9.32 PSI 133 133 A 106 ALA N A 106 ALA CA A 106 ALA C A 107 ARG N 1.0 -46.86 -15.18 PSI 134 134 A 107 ARG N A 107 ARG CA A 107 ARG C A 108 GLY N 1.0 -8.23 23.43 PSI 135 135 A 108 GLY N A 108 GLY CA A 108 GLY C A 109 VAL N 1.0 5.01 51.63 PSI 136 136 A 109 VAL N A 109 VAL CA A 109 VAL C A 110 ASP N 1.0 109.26 168.44 PSI 137 137 A 115 THR N A 115 THR CA A 115 THR C A 116 GLN N 1.0 150.05 188.37 PSI 138 138 A 119 ALA N A 119 ALA CA A 119 ALA C A 120 LEU N 1.0 -68.43 -8.91 PSI 139 139 A 120 LEU N A 120 LEU CA A 120 LEU C A 121 VAL N 1.0 127.56 148.42 PSI 140 140 A 122 LEU N A 122 LEU CA A 122 LEU C A 123 LEU N 1.0 102.66 133.84 PSI 141 141 A 123 LEU N A 123 LEU CA A 123 LEU C A 124 GLY N 1.0 69.90 182.58 PSI 142 142 A 124 GLY N A 124 GLY CA A 124 GLY C A 125 GLY N 1.0 97.27 192.13 PSI 143 143 A 125 GLY N A 125 GLY CA A 125 GLY C A 126 LEU N 1.0 -15.70 32.48 PSI 144 144 A 129 GLU N A 129 GLU CA A 129 GLU C A 130 ALA N 1.0 106.61 161.63 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_6 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_6 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 9 THR H A 9 THR N 1.0 . . . 2 2 A 10 ALA H A 10 ALA N 1.0 . . . 3 3 A 14 ASP H A 14 ASP N 1.0 . . . 4 4 A 15 THR H A 15 THR N 1.0 . . . 5 5 A 16 GLU H A 16 GLU N 1.0 . . . 6 6 A 18 ALA H A 18 ALA N 1.0 . . . 7 7 A 25 ILE H A 25 ILE N 1.0 . . . 8 8 A 28 LEU H A 28 LEU N 1.0 . . . 9 9 A 29 LEU H A 29 LEU N 1.0 . . . 10 10 A 37 VAL H A 37 VAL N 1.0 . . . 11 11 A 38 VAL H A 38 VAL N 1.0 . . . 12 12 A 48 GLN H A 48 GLN N 1.0 . . . 13 13 A 50 ARG H A 50 ARG N 1.0 . . . 14 14 A 53 ALA H A 53 ALA N 1.0 . . . 15 15 A 68 LEU H A 68 LEU N 1.0 . . . 16 16 A 69 ALA H A 69 ALA N 1.0 . . . 17 17 A 70 LEU H A 70 LEU N 1.0 . . . 18 18 A 71 THR H A 71 THR N 1.0 . . . 19 19 A 75 ASP H A 75 ASP N 1.0 . . . 20 20 A 76 GLU H A 76 GLU N 1.0 . . . 21 21 A 77 ILE H A 77 ILE N 1.0 . . . 22 22 A 79 ARG H A 79 ARG N 1.0 . . . 23 23 A 81 MET H A 81 MET N 1.0 . . . 24 24 A 85 GLY H A 85 GLY N 1.0 . . . 25 25 A 86 ALA H A 86 ALA N 1.0 . . . 26 26 A 87 ALA H A 87 ALA N 1.0 . . . 27 27 A 88 ARG H A 88 ARG N 1.0 . . . 28 28 A 90 GLU H A 90 GLU N 1.0 . . . 29 29 A 92 TYR H A 92 TYR N 1.0 . . . 30 30 A 94 ALA H A 94 ALA N 1.0 . . . 31 31 A 96 LEU H A 96 LEU N 1.0 . . . 32 32 A 98 ARG H A 98 ARG N 1.0 . . . 33 33 A 99 LYS H A 99 LYS N 1.0 . . . 34 34 A 102 ALA H A 102 ALA N 1.0 . . . 35 35 A 105 ASN H A 105 ASN N 1.0 . . . 36 36 A 106 ALA H A 106 ALA N 1.0 . . . 37 37 A 107 ARG H A 107 ARG N 1.0 . . . 38 38 A 109 VAL H A 109 VAL N 1.0 . . . 39 39 A 110 ASP H A 110 ASP N 1.0 . . . 40 40 A 116 GLN H A 116 GLN N 1.0 . . . 41 41 A 120 LEU H A 120 LEU N 1.0 . . . 42 42 A 121 VAL H A 121 VAL N 1.0 . . . 43 43 A 122 LEU H A 122 LEU N 1.0 . . . 44 44 A 123 LEU H A 123 LEU N 1.0 . . . 45 45 A 124 GLY H A 124 GLY N 1.0 . . . 46 46 A 125 GLY H A 125 GLY N 1.0 . . . 47 47 A 126 LEU H A 126 LEU N 1.0 . . . 48 48 A 127 ASP H A 127 ASP N 1.0 . . . stop_ save_