data_nef_c25085_2mrm save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MRM stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -6 MET start . . 2 A -5 HIS middle . . 3 A -4 HIS middle . . 4 A -3 HIS middle . . 5 A -2 HIS middle . . 6 A -1 HIS middle . . 7 A 0 HIS middle . . 8 A 1 MET middle . . 9 A 2 ALA middle . . 10 A 3 LEU middle . . 11 A 4 THR middle . . 12 A 5 THR middle . . 13 A 6 ILE middle . . 14 A 7 SER middle . . 15 A 8 PRO middle . false 16 A 9 HIS middle . . 17 A 10 ASP middle . . 18 A 11 ALA middle . . 19 A 12 GLN middle . . 20 A 13 GLU middle . . 21 A 14 LEU middle . . 22 A 15 ILE middle . . 23 A 16 ALA middle . . 24 A 17 ARG middle . . 25 A 18 GLY middle . false 26 A 19 ALA middle . . 27 A 20 LYS middle . . 28 A 21 LEU middle . . 29 A 22 ILE middle . . 30 A 23 ASP middle . . 31 A 24 ILE middle . . 32 A 25 ARG middle . . 33 A 26 ASP middle . . 34 A 27 ALA middle . . 35 A 28 ASP middle . . 36 A 29 GLU middle . . 37 A 30 TYR middle . . 38 A 31 LEU middle . . 39 A 32 ARG middle . . 40 A 33 GLU middle . . 41 A 34 HIS middle . . 42 A 35 ILE middle . . 43 A 36 PRO middle . false 44 A 37 GLU middle . . 45 A 38 ALA middle . . 46 A 39 ASP middle . . 47 A 40 LEU middle . . 48 A 41 ALA middle . . 49 A 42 PRO middle . false 50 A 43 LEU middle . . 51 A 44 SER middle . . 52 A 45 VAL middle . . 53 A 46 LEU middle . . 54 A 47 GLU middle . . 55 A 48 GLN middle . . 56 A 49 SER middle . . 57 A 50 GLY middle . false 58 A 51 LEU middle . . 59 A 52 PRO middle . false 60 A 53 ALA middle . . 61 A 54 LYS middle . . 62 A 55 LEU middle . . 63 A 56 ARG middle . . 64 A 57 HIS middle . . 65 A 58 GLU middle . . 66 A 59 GLN middle . . 67 A 60 ILE middle . . 68 A 61 ILE middle . . 69 A 62 PHE middle . . 70 A 63 HIS middle . . 71 A 64 CYS middle . . 72 A 65 GLN middle . . 73 A 66 ALA middle . . 74 A 67 GLY middle . false 75 A 68 LYS middle . . 76 A 69 ARG middle . . 77 A 70 THR middle . . 78 A 71 SER middle . . 79 A 72 ASN middle . . 80 A 73 ASN middle . . 81 A 74 ALA middle . . 82 A 75 ASP middle . . 83 A 76 LYS middle . . 84 A 77 LEU middle . . 85 A 78 ALA middle . . 86 A 79 ALA middle . . 87 A 80 ILE middle . . 88 A 81 ALA middle . . 89 A 82 ALA middle . . 90 A 83 PRO middle . false 91 A 84 ALA middle . . 92 A 85 GLU middle . . 93 A 86 ILE middle . . 94 A 87 PHE middle . . 95 A 88 LEU middle . . 96 A 89 LEU middle . . 97 A 90 GLU middle . . 98 A 91 ASP middle . . 99 A 92 GLY middle . false 100 A 93 ILE middle . . 101 A 94 ASP middle . . 102 A 95 GLY middle . false 103 A 96 TRP middle . . 104 A 97 LYS middle . . 105 A 98 ARG middle . . 106 A 99 ALA middle . . 107 A 100 GLY middle . false 108 A 101 LEU middle . . 109 A 102 PRO middle . false 110 A 103 VAL middle . . 111 A 104 ALA middle . . 112 A 105 VAL middle . . 113 A 106 ASN middle . . 114 A 107 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H H 1 8.410 0.024 A 1 MET HA H 1 4.400 0.006 A 1 MET HB2 H 1 2.007 0.012 A 1 MET HB3 H 1 1.917 0.011 A 1 MET HG2 H 1 2.455 0.008 A 1 MET HG3 H 1 2.366 0.010 A 1 MET C C 13 175.415 0.050 A 1 MET CA C 13 55.295 0.020 A 1 MET CB C 13 32.987 0.044 A 1 MET CG C 13 31.956 0.050 A 1 MET N N 15 122.075 0.040 A 2 ALA H H 1 8.344 0.007 A 2 ALA HA H 1 4.287 0.002 A 2 ALA HB% H 1 1.330 0.004 A 2 ALA C C 13 176.800 0.050 A 2 ALA CA C 13 52.429 0.036 A 2 ALA CB C 13 19.407 0.037 A 2 ALA N N 15 125.104 0.046 A 3 LEU H H 1 8.070 0.008 A 3 LEU HA H 1 4.452 0.008 A 3 LEU HB2 H 1 1.556 0.010 A 3 LEU HB3 H 1 1.450 0.007 A 3 LEU HD1% H 1 0.790 0.007 A 3 LEU HD2% H 1 0.807 0.007 A 3 LEU HG H 1 1.575 0.011 A 3 LEU C C 13 176.497 0.050 A 3 LEU CA C 13 54.698 0.041 A 3 LEU CB C 13 43.203 0.080 A 3 LEU CD1 C 13 25.809 0.050 A 3 LEU CD2 C 13 24.780 0.050 A 3 LEU CG C 13 27.179 0.050 A 3 LEU N N 15 120.515 0.041 A 4 THR H H 1 7.954 0.005 A 4 THR HA H 1 4.480 0.006 A 4 THR HB H 1 4.093 0.011 A 4 THR HG2% H 1 1.309 0.007 A 4 THR C C 13 173.872 0.050 A 4 THR CA C 13 62.247 0.054 A 4 THR CB C 13 70.533 0.030 A 4 THR N N 15 117.803 0.022 A 5 THR H H 1 8.640 0.007 A 5 THR HA H 1 5.289 0.006 A 5 THR HB H 1 4.135 0.004 A 5 THR HG2% H 1 1.218 0.006 A 5 THR C C 13 174.162 0.050 A 5 THR CA C 13 62.102 0.071 A 5 THR CB C 13 69.457 0.098 A 5 THR N N 15 121.501 0.021 A 6 ILE H H 1 8.977 0.007 A 6 ILE HA H 1 4.988 0.005 A 6 ILE HB H 1 1.820 0.008 A 6 ILE HD1% H 1 0.351 0.003 A 6 ILE HG12 H 1 1.599 0.006 A 6 ILE HG13 H 1 1.170 0.007 A 6 ILE HG2% H 1 0.873 0.007 A 6 ILE C C 13 173.377 0.050 A 6 ILE CA C 13 58.611 0.051 A 6 ILE CB C 13 42.821 0.088 A 6 ILE CD1 C 13 14.664 0.050 A 6 ILE CG1 C 13 27.407 0.050 A 6 ILE CG2 C 13 17.848 0.050 A 6 ILE N N 15 122.023 0.059 A 7 SER H H 1 9.242 0.006 A 7 SER HA H 1 4.768 0.003 A 7 SER HB2 H 1 4.324 0.005 A 7 SER HB3 H 1 4.063 0.011 A 7 SER CA C 13 56.790 0.050 A 7 SER CB C 13 63.235 0.050 A 7 SER N N 15 122.659 0.026 A 8 PRO HA H 1 4.207 0.005 A 8 PRO HB2 H 1 2.095 0.008 A 8 PRO HB3 H 1 1.499 0.009 A 8 PRO HD2 H 1 3.926 0.005 A 8 PRO HD3 H 1 3.969 0.004 A 8 PRO HG2 H 1 2.032 0.009 A 8 PRO HG3 H 1 1.918 0.012 A 8 PRO C C 13 176.787 0.050 A 8 PRO CA C 13 66.443 0.048 A 8 PRO CB C 13 32.724 0.057 A 8 PRO CG C 13 27.235 0.050 A 9 HIS H H 1 8.172 0.027 A 9 HIS HA H 1 3.990 0.010 A 9 HIS HB2 H 1 3.044 0.002 A 9 HIS HB3 H 1 2.886 0.002 A 9 HIS C C 13 178.123 0.050 A 9 HIS CA C 13 60.827 0.088 A 9 HIS CB C 13 29.552 0.124 A 9 HIS N N 15 113.700 0.043 A 10 ASP H H 1 7.706 0.010 A 10 ASP HA H 1 4.369 0.019 A 10 ASP HB2 H 1 2.854 0.008 A 10 ASP HB3 H 1 2.486 0.003 A 10 ASP C C 13 179.100 0.050 A 10 ASP CA C 13 57.071 0.021 A 10 ASP CB C 13 39.529 0.079 A 10 ASP N N 15 120.665 0.050 A 11 ALA H H 1 8.896 0.007 A 11 ALA HA H 1 3.782 0.004 A 11 ALA HB% H 1 1.513 0.006 A 11 ALA C C 13 178.260 0.050 A 11 ALA CA C 13 55.142 0.045 A 11 ALA CB C 13 18.293 0.041 A 11 ALA N N 15 123.686 0.022 A 12 GLN H H 1 8.431 0.005 A 12 GLN HA H 1 4.000 0.007 A 12 GLN HB2 H 1 2.117 0.016 A 12 GLN HB3 H 1 2.032 0.005 A 12 GLN HG2 H 1 2.357 0.004 A 12 GLN HG3 H 1 2.230 0.006 A 12 GLN C C 13 178.499 0.050 A 12 GLN CA C 13 60.102 0.038 A 12 GLN CB C 13 28.743 0.027 A 12 GLN CG C 13 34.517 0.031 A 12 GLN N N 15 117.521 0.019 A 13 GLU H H 1 7.234 0.005 A 13 GLU HA H 1 4.059 0.015 A 13 GLU HB2 H 1 2.036 0.010 A 13 GLU HB3 H 1 2.036 0.010 A 13 GLU HG2 H 1 2.279 0.030 A 13 GLU HG3 H 1 2.178 0.022 A 13 GLU C C 13 178.352 0.050 A 13 GLU CA C 13 59.079 0.027 A 13 GLU CB C 13 29.213 0.030 A 13 GLU CG C 13 36.010 0.035 A 13 GLU N N 15 118.578 0.028 A 14 LEU H H 1 7.582 0.005 A 14 LEU HA H 1 3.891 0.004 A 14 LEU HB2 H 1 1.531 0.010 A 14 LEU HB3 H 1 1.138 0.009 A 14 LEU HD1% H 1 0.373 0.007 A 14 LEU HD2% H 1 0.159 0.007 A 14 LEU HG H 1 1.409 0.023 A 14 LEU C C 13 180.773 0.050 A 14 LEU CA C 13 57.958 0.034 A 14 LEU CB C 13 41.715 0.018 A 14 LEU CD1 C 13 23.123 0.050 A 14 LEU CD2 C 13 24.554 0.050 A 14 LEU CG C 13 27.029 0.050 A 14 LEU N N 15 119.848 0.023 A 15 ILE H H 1 8.772 0.006 A 15 ILE HA H 1 3.924 0.005 A 15 ILE HB H 1 1.803 0.008 A 15 ILE HD1% H 1 0.755 0.006 A 15 ILE HG12 H 1 1.586 0.010 A 15 ILE HG13 H 1 0.753 0.003 A 15 ILE HG2% H 1 0.894 0.005 A 15 ILE C C 13 180.109 0.050 A 15 ILE CA C 13 64.663 0.019 A 15 ILE CB C 13 38.900 0.054 A 15 ILE CD1 C 13 15.682 0.050 A 15 ILE CG1 C 13 28.877 0.050 A 15 ILE CG2 C 13 16.858 0.050 A 15 ILE N N 15 122.392 0.026 A 16 ALA H H 1 7.808 0.005 A 16 ALA HA H 1 4.183 0.007 A 16 ALA HB% H 1 1.527 0.007 A 16 ALA C C 13 179.100 0.050 A 16 ALA CA C 13 54.806 0.029 A 16 ALA CB C 13 17.646 0.026 A 16 ALA N N 15 123.856 0.019 A 17 ARG H H 1 7.280 0.006 A 17 ARG HA H 1 4.404 0.006 A 17 ARG HB2 H 1 2.168 0.005 A 17 ARG HB3 H 1 1.837 0.013 A 17 ARG HD2 H 1 3.135 0.010 A 17 ARG HD3 H 1 3.178 0.002 A 17 ARG HG2 H 1 1.690 0.002 A 17 ARG HG3 H 1 1.832 0.002 A 17 ARG C C 13 176.446 0.050 A 17 ARG CA C 13 56.015 0.027 A 17 ARG CB C 13 30.676 0.022 A 17 ARG CD C 13 43.772 0.050 A 17 ARG CG C 13 27.635 0.050 A 17 ARG N N 15 115.329 0.030 A 18 GLY H H 1 7.795 0.005 A 18 GLY HA2 H 1 4.509 0.005 A 18 GLY HA3 H 1 3.623 0.005 A 18 GLY C C 13 174.072 0.050 A 18 GLY CA C 13 45.218 0.020 A 18 GLY N N 15 107.395 0.013 A 19 ALA H H 1 7.980 0.009 A 19 ALA HA H 1 4.217 0.005 A 19 ALA HB% H 1 0.893 0.007 A 19 ALA C C 13 176.261 0.050 A 19 ALA CA C 13 52.674 0.035 A 19 ALA CB C 13 19.411 0.041 A 19 ALA N N 15 123.197 0.041 A 20 LYS H H 1 7.589 0.008 A 20 LYS HA H 1 4.308 0.007 A 20 LYS HB2 H 1 1.604 0.007 A 20 LYS HB3 H 1 1.455 0.014 A 20 LYS HD2 H 1 1.559 0.008 A 20 LYS HD3 H 1 1.559 0.008 A 20 LYS HE2 H 1 2.812 0.002 A 20 LYS HE3 H 1 2.661 0.004 A 20 LYS HG2 H 1 1.291 0.011 A 20 LYS HG3 H 1 1.291 0.011 A 20 LYS C C 13 173.981 0.050 A 20 LYS CA C 13 53.820 0.084 A 20 LYS CB C 13 33.571 0.060 A 20 LYS CD C 13 27.713 0.050 A 20 LYS CE C 13 41.740 0.030 A 20 LYS CG C 13 23.786 0.050 A 20 LYS N N 15 118.629 0.035 A 21 LEU H H 1 8.812 0.007 A 21 LEU HA H 1 5.154 0.017 A 21 LEU HB2 H 1 1.664 0.013 A 21 LEU HB3 H 1 0.995 0.007 A 21 LEU HD1% H 1 0.402 0.005 A 21 LEU HD2% H 1 0.655 0.014 A 21 LEU HG H 1 1.313 0.011 A 21 LEU C C 13 174.076 0.050 A 21 LEU CA C 13 53.262 0.069 A 21 LEU CB C 13 44.350 0.028 A 21 LEU CD2 C 13 23.487 0.050 A 21 LEU CG C 13 27.104 0.050 A 21 LEU N N 15 126.686 0.043 A 22 ILE H H 1 9.416 0.006 A 22 ILE HA H 1 4.678 0.005 A 22 ILE HB H 1 1.618 0.007 A 22 ILE HD1% H 1 0.675 0.016 A 22 ILE HG12 H 1 1.244 0.007 A 22 ILE HG13 H 1 1.244 0.007 A 22 ILE HG2% H 1 0.821 0.018 A 22 ILE C C 13 173.136 0.050 A 22 ILE CA C 13 60.160 0.024 A 22 ILE CB C 13 39.842 0.048 A 22 ILE CD1 C 13 14.554 0.050 A 22 ILE CG1 C 13 27.380 0.050 A 22 ILE CG2 C 13 18.379 0.050 A 22 ILE N N 15 127.566 0.021 A 23 ASP H H 1 8.619 0.006 A 23 ASP HA H 1 3.806 0.010 A 23 ASP HB2 H 1 2.736 0.006 A 23 ASP HB3 H 1 2.477 0.007 A 23 ASP C C 13 176.042 0.050 A 23 ASP CA C 13 52.005 0.022 A 23 ASP CB C 13 42.984 0.048 A 23 ASP N N 15 129.217 0.023 A 24 ILE H H 1 7.877 0.004 A 24 ILE HA H 1 5.255 0.008 A 24 ILE HB H 1 2.051 0.007 A 24 ILE HD1% H 1 0.650 0.005 A 24 ILE HG12 H 1 1.099 0.010 A 24 ILE HG13 H 1 1.099 0.010 A 24 ILE HG2% H 1 0.993 0.008 A 24 ILE C C 13 178.920 0.050 A 24 ILE CA C 13 60.188 0.101 A 24 ILE CB C 13 38.015 0.079 A 24 ILE CD1 C 13 16.285 0.050 A 24 ILE CG1 C 13 25.934 0.050 A 24 ILE CG2 C 13 18.442 0.050 A 24 ILE N N 15 115.522 0.013 A 25 ARG H H 1 8.235 0.010 A 25 ARG HA H 1 4.170 0.007 A 25 ARG HB2 H 1 2.177 0.005 A 25 ARG HB3 H 1 2.037 0.011 A 25 ARG HD2 H 1 3.267 0.007 A 25 ARG HD3 H 1 2.919 0.006 A 25 ARG HG2 H 1 2.001 0.010 A 25 ARG HG3 H 1 1.879 0.011 A 25 ARG C C 13 171.756 0.050 A 25 ARG CA C 13 56.547 0.019 A 25 ARG CB C 13 30.897 0.026 A 25 ARG CD C 13 44.606 0.036 A 25 ARG CG C 13 26.922 0.050 A 25 ARG N N 15 124.317 0.055 A 26 ASP H H 1 7.730 0.005 A 26 ASP HA H 1 4.609 0.006 A 26 ASP HB2 H 1 2.913 0.006 A 26 ASP HB3 H 1 2.696 0.007 A 26 ASP C C 13 177.934 0.050 A 26 ASP CA C 13 54.398 0.076 A 26 ASP CB C 13 42.029 0.039 A 26 ASP N N 15 112.059 0.021 A 27 ALA H H 1 8.797 0.006 A 27 ALA HA H 1 3.959 0.007 A 27 ALA HB% H 1 1.379 0.001 A 27 ALA C C 13 179.388 0.050 A 27 ALA CA C 13 55.829 0.062 A 27 ALA CB C 13 18.572 0.055 A 27 ALA N N 15 121.435 0.026 A 28 ASP H H 1 8.755 0.006 A 28 ASP HA H 1 4.314 0.004 A 28 ASP HB2 H 1 2.645 0.006 A 28 ASP HB3 H 1 2.645 0.006 A 28 ASP C C 13 178.738 0.050 A 28 ASP CA C 13 56.997 0.007 A 28 ASP CB C 13 39.811 0.014 A 28 ASP N N 15 114.759 0.017 A 29 GLU H H 1 7.446 0.005 A 29 GLU HA H 1 4.116 0.016 A 29 GLU HB2 H 1 2.354 0.009 A 29 GLU HB3 H 1 2.178 0.006 A 29 GLU HG2 H 1 2.464 0.011 A 29 GLU HG3 H 1 2.307 0.010 A 29 GLU C C 13 178.473 0.050 A 29 GLU CA C 13 58.928 0.026 A 29 GLU CB C 13 29.395 0.047 A 29 GLU CG C 13 36.984 0.038 A 29 GLU N N 15 119.562 0.020 A 30 TYR H H 1 7.545 0.006 A 30 TYR HA H 1 4.092 0.018 A 30 TYR HB2 H 1 2.953 0.006 A 30 TYR HB3 H 1 2.792 0.008 A 30 TYR C C 13 176.988 0.050 A 30 TYR CA C 13 60.931 0.004 A 30 TYR CB C 13 39.534 0.040 A 30 TYR N N 15 120.494 0.025 A 31 LEU H H 1 8.235 0.011 A 31 LEU HA H 1 3.916 0.005 A 31 LEU HB2 H 1 1.800 0.009 A 31 LEU HB3 H 1 1.664 0.006 A 31 LEU HD1% H 1 0.915 0.003 A 31 LEU HD2% H 1 0.915 0.003 A 31 LEU HG H 1 1.774 0.005 A 31 LEU C C 13 178.824 0.050 A 31 LEU CA C 13 57.444 0.007 A 31 LEU CB C 13 41.941 0.031 A 31 LEU CD1 C 13 24.517 0.050 A 31 LEU CD2 C 13 23.984 0.050 A 31 LEU CG C 13 27.149 0.050 A 31 LEU N N 15 118.227 0.064 A 32 ARG H H 1 7.133 0.007 A 32 ARG HA H 1 4.112 0.009 A 32 ARG HB2 H 1 1.937 0.006 A 32 ARG HB3 H 1 1.738 0.010 A 32 ARG HD2 H 1 3.265 0.003 A 32 ARG HD3 H 1 3.265 0.003 A 32 ARG HG2 H 1 1.839 0.005 A 32 ARG HG3 H 1 1.630 0.006 A 32 ARG C C 13 177.008 0.050 A 32 ARG CA C 13 59.366 0.031 A 32 ARG CB C 13 30.938 0.015 A 32 ARG CD C 13 43.499 0.025 A 32 ARG CG C 13 28.031 0.050 A 32 ARG N N 15 117.334 0.023 A 33 GLU H H 1 7.521 0.006 A 33 GLU HA H 1 4.893 0.008 A 33 GLU HB2 H 1 2.070 0.002 A 33 GLU HB3 H 1 1.983 0.009 A 33 GLU HG2 H 1 1.925 0.005 A 33 GLU HG3 H 1 1.844 0.004 A 33 GLU C C 13 173.503 0.050 A 33 GLU CA C 13 56.291 0.021 A 33 GLU CB C 13 32.248 0.060 A 33 GLU CG C 13 37.117 0.064 A 33 GLU N N 15 117.282 0.014 A 34 HIS H H 1 8.354 0.006 A 34 HIS HA H 1 4.627 0.005 A 34 HIS HB2 H 1 2.945 0.008 A 34 HIS HB3 H 1 2.721 0.006 A 34 HIS C C 13 171.950 0.050 A 34 HIS CA C 13 54.304 0.018 A 34 HIS CB C 13 30.712 0.017 A 34 HIS N N 15 117.828 0.041 A 35 ILE H H 1 10.032 0.010 A 35 ILE HA H 1 3.973 0.007 A 35 ILE HB H 1 1.165 0.002 A 35 ILE HD1% H 1 -0.900 0.001 A 35 ILE HG12 H 1 -0.604 0.009 A 35 ILE HG13 H 1 0.946 0.006 A 35 ILE HG2% H 1 0.085 0.134 A 35 ILE CA C 13 60.500 0.050 A 35 ILE CB C 13 38.822 0.027 A 35 ILE N N 15 126.965 0.042 A 36 PRO HA H 1 4.033 0.013 A 36 PRO HB2 H 1 2.319 0.005 A 36 PRO HB3 H 1 1.966 0.009 A 36 PRO HD2 H 1 3.975 0.002 A 36 PRO HD3 H 1 3.797 0.001 A 36 PRO HG2 H 1 2.132 0.010 A 36 PRO HG3 H 1 1.671 0.006 A 36 PRO C C 13 177.308 0.050 A 36 PRO CA C 13 66.191 0.017 A 36 PRO CB C 13 31.701 0.045 A 36 PRO CD C 13 51.669 0.029 A 36 PRO CG C 13 27.805 0.050 A 37 GLU H H 1 8.625 0.007 A 37 GLU HA H 1 4.083 0.005 A 37 GLU HB2 H 1 2.163 0.008 A 37 GLU HB3 H 1 1.904 0.006 A 37 GLU HG2 H 1 2.328 0.009 A 37 GLU HG3 H 1 2.208 0.013 A 37 GLU C C 13 176.274 0.050 A 37 GLU CA C 13 58.285 0.034 A 37 GLU CB C 13 28.895 0.027 A 37 GLU CG C 13 37.611 0.064 A 37 GLU N N 15 113.735 0.014 A 38 ALA H H 1 8.160 0.006 A 38 ALA HA H 1 4.484 0.008 A 38 ALA HB% H 1 1.590 0.003 A 38 ALA C C 13 178.043 0.050 A 38 ALA CA C 13 52.385 0.016 A 38 ALA CB C 13 21.151 0.033 A 38 ALA N N 15 122.325 0.023 A 39 ASP H H 1 9.095 0.007 A 39 ASP HA H 1 4.856 0.007 A 39 ASP HB2 H 1 2.409 0.001 A 39 ASP HB3 H 1 2.355 0.004 A 39 ASP C C 13 174.077 0.050 A 39 ASP CA C 13 53.498 0.024 A 39 ASP CB C 13 45.176 0.056 A 39 ASP N N 15 123.726 0.031 A 40 LEU H H 1 8.199 0.007 A 40 LEU HA H 1 4.339 0.006 A 40 LEU HB2 H 1 1.129 0.009 A 40 LEU HB3 H 1 -0.326 0.014 A 40 LEU HD1% H 1 0.509 0.007 A 40 LEU HD2% H 1 0.438 0.009 A 40 LEU HG H 1 1.041 0.002 A 40 LEU C C 13 176.159 0.050 A 40 LEU CA C 13 54.766 0.036 A 40 LEU CB C 13 41.988 0.049 A 40 LEU CD1 C 13 21.400 0.050 A 40 LEU CD2 C 13 25.726 0.050 A 40 LEU CG C 13 27.791 0.050 A 40 LEU N N 15 123.111 0.050 A 41 ALA H H 1 8.705 0.005 A 41 ALA HA H 1 4.430 0.004 A 41 ALA HB% H 1 1.006 0.008 A 41 ALA CA C 13 49.844 0.028 A 41 ALA CB C 13 18.765 0.050 A 41 ALA N N 15 130.678 0.042 A 42 PRO HA H 1 4.133 0.004 A 42 PRO HB2 H 1 2.399 0.003 A 42 PRO HB3 H 1 1.655 0.006 A 42 PRO HD2 H 1 3.455 0.005 A 42 PRO HD3 H 1 3.292 0.006 A 42 PRO HG2 H 1 2.068 0.007 A 42 PRO HG3 H 1 2.208 0.008 A 42 PRO C C 13 178.946 0.050 A 42 PRO CA C 13 62.119 0.017 A 42 PRO CB C 13 33.383 0.066 A 42 PRO CD C 13 50.408 0.031 A 42 PRO CG C 13 27.337 0.050 A 43 LEU H H 1 8.330 0.005 A 43 LEU HA H 1 3.881 0.009 A 43 LEU HB2 H 1 1.897 0.005 A 43 LEU HB3 H 1 1.406 0.010 A 43 LEU HD1% H 1 0.693 0.007 A 43 LEU HD2% H 1 0.735 0.013 A 43 LEU HG H 1 1.647 0.006 A 43 LEU C C 13 176.869 0.050 A 43 LEU CA C 13 58.639 0.017 A 43 LEU CB C 13 41.848 0.072 A 43 LEU CD1 C 13 22.730 0.050 A 43 LEU CD2 C 13 22.730 0.050 A 43 LEU CG C 13 26.107 0.050 A 43 LEU N N 15 124.604 0.046 A 44 SER H H 1 8.553 0.006 A 44 SER HA H 1 4.147 0.006 A 44 SER HB2 H 1 3.815 0.001 A 44 SER HB3 H 1 3.888 0.002 A 44 SER C C 13 177.107 0.050 A 44 SER CA C 13 61.043 0.110 A 44 SER CB C 13 61.765 0.035 A 44 SER N N 15 110.167 0.015 A 45 VAL H H 1 7.181 0.004 A 45 VAL HA H 1 3.825 0.005 A 45 VAL HB H 1 2.184 0.008 A 45 VAL HG1% H 1 0.972 0.004 A 45 VAL HG2% H 1 0.912 0.007 A 45 VAL C C 13 178.328 0.050 A 45 VAL CA C 13 65.576 0.011 A 45 VAL CB C 13 31.889 0.027 A 45 VAL CG1 C 13 22.205 0.050 A 45 VAL CG2 C 13 20.266 0.050 A 45 VAL N N 15 123.549 0.027 A 46 LEU H H 1 8.040 0.005 A 46 LEU HA H 1 3.826 0.004 A 46 LEU HB2 H 1 2.009 0.006 A 46 LEU HB3 H 1 1.178 0.009 A 46 LEU HD1% H 1 0.757 0.001 A 46 LEU HD2% H 1 0.713 0.004 A 46 LEU HG H 1 1.614 0.008 A 46 LEU C C 13 179.996 0.050 A 46 LEU CA C 13 57.602 0.019 A 46 LEU CB C 13 41.691 0.028 A 46 LEU CD1 C 13 26.581 0.050 A 46 LEU CD2 C 13 23.612 0.050 A 46 LEU N N 15 120.336 0.016 A 47 GLU H H 1 8.567 0.005 A 47 GLU HA H 1 3.820 0.005 A 47 GLU HB2 H 1 1.948 0.009 A 47 GLU HB3 H 1 2.028 0.009 A 47 GLU HG2 H 1 2.353 0.002 A 47 GLU HG3 H 1 1.958 0.002 A 47 GLU C C 13 177.029 0.050 A 47 GLU CA C 13 59.317 0.030 A 47 GLU CB C 13 30.526 0.063 A 47 GLU CG C 13 37.493 0.038 A 47 GLU N N 15 115.713 0.014 A 48 GLN H H 1 7.472 0.006 A 48 GLN HA H 1 4.281 0.008 A 48 GLN HB2 H 1 2.157 0.004 A 48 GLN HB3 H 1 2.157 0.004 A 48 GLN HG2 H 1 2.499 0.004 A 48 GLN HG3 H 1 2.375 0.004 A 48 GLN C C 13 177.605 0.050 A 48 GLN CA C 13 57.827 0.032 A 48 GLN CB C 13 29.985 0.078 A 48 GLN CG C 13 33.874 0.025 A 48 GLN N N 15 116.740 0.016 A 49 SER H H 1 8.657 0.008 A 49 SER HA H 1 4.648 0.003 A 49 SER HB2 H 1 3.929 0.010 A 49 SER HB3 H 1 3.779 0.003 A 49 SER C C 13 174.859 0.050 A 49 SER CA C 13 58.406 0.030 A 49 SER CB C 13 64.758 0.040 A 49 SER N N 15 111.004 0.012 A 50 GLY H H 1 7.846 0.008 A 50 GLY HA2 H 1 4.232 0.006 A 50 GLY HA3 H 1 3.841 0.005 A 50 GLY C C 13 172.398 0.050 A 50 GLY CA C 13 44.444 0.023 A 50 GLY N N 15 110.839 0.011 A 51 LEU H H 1 8.647 0.006 A 51 LEU HA H 1 4.244 0.009 A 51 LEU HB2 H 1 1.677 0.007 A 51 LEU HB3 H 1 1.232 0.005 A 51 LEU HD1% H 1 0.791 0.005 A 51 LEU HD2% H 1 0.872 0.007 A 51 LEU HG H 1 1.544 0.006 A 51 LEU CA C 13 52.593 0.012 A 51 LEU CB C 13 43.381 0.019 A 51 LEU N N 15 121.009 0.012 A 52 PRO HA H 1 4.349 0.013 A 52 PRO HB2 H 1 2.408 0.008 A 52 PRO HB3 H 1 1.719 0.011 A 52 PRO HD2 H 1 3.369 0.002 A 52 PRO HD3 H 1 4.096 0.002 A 52 PRO HG2 H 1 2.017 0.004 A 52 PRO HG3 H 1 2.017 0.004 A 52 PRO C C 13 177.247 0.050 A 52 PRO CA C 13 62.980 0.011 A 52 PRO CB C 13 32.423 0.049 A 52 PRO CD C 13 50.875 0.015 A 52 PRO CG C 13 27.417 0.050 A 53 ALA H H 1 8.643 0.007 A 53 ALA HA H 1 3.870 0.004 A 53 ALA HB% H 1 1.426 0.005 A 53 ALA C C 13 180.484 0.050 A 53 ALA CA C 13 55.829 0.085 A 53 ALA CB C 13 18.248 0.045 A 53 ALA N N 15 126.595 0.022 A 54 LYS H H 1 8.442 0.007 A 54 LYS HA H 1 4.167 0.005 A 54 LYS HB2 H 1 1.871 0.008 A 54 LYS HB3 H 1 1.769 0.008 A 54 LYS HD2 H 1 1.819 0.003 A 54 LYS HD3 H 1 1.658 0.012 A 54 LYS HE2 H 1 2.916 0.007 A 54 LYS HE3 H 1 2.916 0.007 A 54 LYS HG2 H 1 1.399 0.012 A 54 LYS HG3 H 1 1.280 0.006 A 54 LYS C C 13 176.704 0.050 A 54 LYS CA C 13 57.893 0.018 A 54 LYS CB C 13 31.892 0.036 A 54 LYS CD C 13 29.228 0.050 A 54 LYS CE C 13 41.875 0.089 A 54 LYS CG C 13 24.785 0.050 A 54 LYS N N 15 113.898 0.016 A 55 LEU H H 1 7.805 0.005 A 55 LEU HA H 1 4.308 0.004 A 55 LEU HB2 H 1 1.715 0.011 A 55 LEU HB3 H 1 1.524 0.014 A 55 LEU HD1% H 1 0.783 0.005 A 55 LEU HD2% H 1 0.710 0.007 A 55 LEU HG H 1 1.452 0.012 A 55 LEU C C 13 174.589 0.050 A 55 LEU CA C 13 54.003 0.026 A 55 LEU CB C 13 41.649 0.044 A 55 LEU CD1 C 13 25.165 0.050 A 55 LEU CD2 C 13 22.953 0.050 A 55 LEU CG C 13 27.424 0.050 A 55 LEU N N 15 117.932 0.022 A 56 ARG H H 1 6.971 0.007 A 56 ARG HA H 1 4.006 0.005 A 56 ARG HB2 H 1 1.732 0.003 A 56 ARG HB3 H 1 1.769 0.005 A 56 ARG HD2 H 1 3.122 0.004 A 56 ARG HD3 H 1 3.196 0.002 A 56 ARG HG2 H 1 1.700 0.005 A 56 ARG HG3 H 1 1.485 0.005 A 56 ARG C C 13 175.542 0.050 A 56 ARG CA C 13 57.428 0.018 A 56 ARG CB C 13 29.651 0.025 A 56 ARG CD C 13 43.533 0.050 A 56 ARG CG C 13 27.816 0.050 A 56 ARG N N 15 116.873 0.029 A 57 HIS H H 1 7.281 0.007 A 57 HIS HA H 1 4.596 0.006 A 57 HIS HB2 H 1 2.878 0.006 A 57 HIS HB3 H 1 2.998 0.015 A 57 HIS C C 13 173.855 0.050 A 57 HIS CA C 13 55.780 0.027 A 57 HIS CB C 13 33.878 0.102 A 57 HIS N N 15 122.622 0.055 A 58 GLU H H 1 7.626 0.036 A 58 GLU HA H 1 4.052 0.006 A 58 GLU HB2 H 1 2.033 0.006 A 58 GLU HB3 H 1 1.884 0.005 A 58 GLU HG2 H 1 2.230 0.013 A 58 GLU HG3 H 1 2.230 0.013 A 58 GLU C C 13 176.762 0.050 A 58 GLU CA C 13 59.634 0.037 A 58 GLU CB C 13 29.931 0.042 A 58 GLU CG C 13 36.959 0.089 A 58 GLU N N 15 120.479 0.038 A 59 GLN H H 1 8.560 0.020 A 59 GLN HA H 1 5.479 0.007 A 59 GLN HB2 H 1 2.184 0.012 A 59 GLN HB3 H 1 1.747 0.006 A 59 GLN HG2 H 1 2.519 0.006 A 59 GLN HG3 H 1 2.374 0.005 A 59 GLN C C 13 174.322 0.050 A 59 GLN CA C 13 55.486 0.011 A 59 GLN CB C 13 33.151 0.050 A 59 GLN CG C 13 34.848 0.033 A 59 GLN N N 15 118.110 0.085 A 60 ILE H H 1 8.735 0.008 A 60 ILE HA H 1 4.531 0.005 A 60 ILE HB H 1 1.223 0.006 A 60 ILE HD1% H 1 0.832 0.007 A 60 ILE HG12 H 1 1.423 0.007 A 60 ILE HG13 H 1 0.833 0.010 A 60 ILE HG2% H 1 -0.056 0.004 A 60 ILE C C 13 173.352 0.050 A 60 ILE CA C 13 59.794 0.048 A 60 ILE CB C 13 43.188 0.071 A 60 ILE CD1 C 13 14.985 0.050 A 60 ILE CG1 C 13 27.857 0.050 A 60 ILE CG2 C 13 17.131 0.050 A 60 ILE N N 15 122.789 0.012 A 61 ILE H H 1 9.057 0.006 A 61 ILE HA H 1 5.002 0.013 A 61 ILE HB H 1 1.688 0.009 A 61 ILE HD1% H 1 0.641 0.007 A 61 ILE HG12 H 1 1.460 0.010 A 61 ILE HG13 H 1 0.704 0.014 A 61 ILE HG2% H 1 0.649 0.010 A 61 ILE C C 13 175.195 0.050 A 61 ILE CA C 13 58.419 0.076 A 61 ILE CB C 13 40.270 0.068 A 61 ILE CD1 C 13 15.840 0.050 A 61 ILE CG1 C 13 26.654 0.050 A 61 ILE CG2 C 13 18.154 0.050 A 61 ILE N N 15 125.871 0.013 A 62 PHE H H 1 8.977 0.005 A 62 PHE HA H 1 5.810 0.004 A 62 PHE HB2 H 1 2.855 0.008 A 62 PHE HB3 H 1 2.720 0.005 A 62 PHE C C 13 176.135 0.050 A 62 PHE CA C 13 56.960 0.047 A 62 PHE CB C 13 43.352 0.009 A 62 PHE N N 15 123.742 0.022 A 63 HIS H H 1 9.298 0.006 A 63 HIS HA H 1 5.979 0.005 A 63 HIS HB2 H 1 3.226 0.005 A 63 HIS HB3 H 1 2.704 0.004 A 63 HIS C C 13 171.108 0.050 A 63 HIS CA C 13 54.115 0.019 A 63 HIS CB C 13 36.861 0.058 A 63 HIS N N 15 116.939 0.028 A 64 CYS H H 1 8.156 0.006 A 64 CYS HA H 1 5.044 0.005 A 64 CYS HB2 H 1 3.643 0.013 A 64 CYS HB3 H 1 2.522 0.006 A 64 CYS C C 13 177.438 0.050 A 64 CYS CA C 13 56.886 0.012 A 64 CYS CB C 13 29.425 0.050 A 64 CYS N N 15 119.251 0.021 A 65 GLN H H 1 8.937 0.013 A 65 GLN HA H 1 4.220 0.011 A 65 GLN HB2 H 1 2.521 0.067 A 65 GLN HB3 H 1 2.304 0.019 A 65 GLN HG2 H 1 2.572 0.002 A 65 GLN HG3 H 1 2.318 0.007 A 65 GLN C C 13 174.440 0.050 A 65 GLN CA C 13 59.788 0.041 A 65 GLN CB C 13 29.370 0.050 A 65 GLN CG C 13 33.061 0.028 A 65 GLN N N 15 125.627 0.047 A 66 ALA H H 1 9.024 0.005 A 66 ALA HA H 1 5.115 0.005 A 66 ALA HB% H 1 1.503 0.006 A 66 ALA C C 13 177.625 0.050 A 66 ALA CA C 13 50.744 0.012 A 66 ALA CB C 13 20.658 0.033 A 66 ALA N N 15 118.880 0.023 A 67 GLY H H 1 8.845 0.011 A 67 GLY HA2 H 1 4.530 0.012 A 67 GLY HA3 H 1 3.973 0.016 A 67 GLY C C 13 174.810 0.050 A 67 GLY CA C 13 45.642 0.554 A 67 GLY N N 15 112.878 0.019 A 68 LYS H H 1 7.936 0.010 A 68 LYS HA H 1 4.158 0.009 A 68 LYS HB2 H 1 1.973 0.006 A 68 LYS HB3 H 1 1.973 0.006 A 68 LYS HD2 H 1 1.659 0.001 A 68 LYS HD3 H 1 1.659 0.001 A 68 LYS HE2 H 1 2.966 0.004 A 68 LYS HE3 H 1 2.966 0.004 A 68 LYS HG2 H 1 1.442 0.006 A 68 LYS HG3 H 1 1.442 0.006 A 68 LYS C C 13 177.939 0.050 A 68 LYS CA C 13 58.811 0.016 A 68 LYS CB C 13 32.796 0.111 A 68 LYS CE C 13 42.031 0.050 A 68 LYS N N 15 120.133 0.054 A 69 ARG H H 1 8.981 0.009 A 69 ARG HA H 1 4.217 0.006 A 69 ARG HB2 H 1 1.915 0.012 A 69 ARG HB3 H 1 2.216 0.008 A 69 ARG HD2 H 1 3.252 0.002 A 69 ARG HD3 H 1 3.066 0.001 A 69 ARG HG2 H 1 1.802 0.002 A 69 ARG HG3 H 1 1.583 0.001 A 69 ARG C C 13 180.944 0.050 A 69 ARG CA C 13 60.010 0.050 A 69 ARG CB C 13 30.974 0.012 A 69 ARG CD C 13 44.061 0.070 A 69 ARG CG C 13 27.602 0.050 A 69 ARG N N 15 125.804 0.045 A 70 THR H H 1 10.382 0.007 A 70 THR HA H 1 3.607 0.005 A 70 THR HB H 1 4.101 0.011 A 70 THR HG2% H 1 1.140 0.008 A 70 THR C C 13 176.434 0.050 A 70 THR CA C 13 65.914 0.060 A 70 THR CB C 13 68.169 0.053 A 70 THR CG2 C 13 24.544 0.050 A 70 THR N N 15 116.681 0.053 A 71 SER H H 1 7.346 0.005 A 71 SER HA H 1 3.993 0.013 A 71 SER HB2 H 1 4.201 0.010 A 71 SER HB3 H 1 4.201 0.010 A 71 SER C C 13 177.594 0.050 A 71 SER CA C 13 62.500 0.062 A 71 SER N N 15 113.046 0.024 A 72 ASN H H 1 8.078 0.008 A 72 ASN HA H 1 4.598 0.003 A 72 ASN HB2 H 1 2.805 0.013 A 72 ASN HB3 H 1 2.879 0.009 A 72 ASN C C 13 175.595 0.050 A 72 ASN CA C 13 55.147 0.076 A 72 ASN CB C 13 38.821 0.040 A 72 ASN N N 15 117.540 0.028 A 73 ASN H H 1 7.290 0.007 A 73 ASN HA H 1 5.159 0.003 A 73 ASN HB2 H 1 2.652 0.005 A 73 ASN HB3 H 1 2.317 0.006 A 73 ASN C C 13 174.375 0.050 A 73 ASN CA C 13 52.976 0.031 A 73 ASN CB C 13 39.862 0.019 A 73 ASN N N 15 114.869 0.059 A 74 ALA H H 1 7.105 0.005 A 74 ALA HA H 1 3.721 0.004 A 74 ALA HB% H 1 1.499 0.004 A 74 ALA C C 13 177.908 0.050 A 74 ALA CA C 13 57.085 0.040 A 74 ALA CB C 13 19.427 0.052 A 74 ALA N N 15 124.647 0.014 A 75 ASP H H 1 8.403 0.007 A 75 ASP HA H 1 4.250 0.007 A 75 ASP HB2 H 1 2.608 0.010 A 75 ASP HB3 H 1 2.555 0.010 A 75 ASP C C 13 179.100 0.050 A 75 ASP CA C 13 57.236 0.029 A 75 ASP CB C 13 39.783 0.022 A 75 ASP N N 15 114.917 0.018 A 76 LYS H H 1 7.652 0.008 A 76 LYS HA H 1 4.053 0.007 A 76 LYS HB2 H 1 1.833 0.010 A 76 LYS HB3 H 1 1.698 0.009 A 76 LYS HD2 H 1 1.673 0.009 A 76 LYS HD3 H 1 1.673 0.009 A 76 LYS HE2 H 1 2.945 0.004 A 76 LYS HE3 H 1 2.945 0.004 A 76 LYS HG2 H 1 1.463 0.003 A 76 LYS HG3 H 1 1.362 0.003 A 76 LYS C C 13 178.832 0.050 A 76 LYS CA C 13 58.864 0.024 A 76 LYS CB C 13 32.423 0.052 A 76 LYS CD C 13 29.322 0.050 A 76 LYS CE C 13 41.575 0.008 A 76 LYS CG C 13 24.527 0.050 A 76 LYS N N 15 121.888 0.017 A 77 LEU H H 1 8.146 0.008 A 77 LEU HA H 1 3.557 0.003 A 77 LEU HB2 H 1 1.553 0.012 A 77 LEU HB3 H 1 0.671 0.008 A 77 LEU HD1% H 1 0.310 0.004 A 77 LEU HD2% H 1 -0.202 0.004 A 77 LEU HG H 1 1.362 0.012 A 77 LEU C C 13 178.068 0.050 A 77 LEU CA C 13 57.692 0.012 A 77 LEU CB C 13 40.077 0.040 A 77 LEU CD2 C 13 20.722 0.050 A 77 LEU CG C 13 25.746 0.050 A 77 LEU N N 15 118.644 0.034 A 78 ALA H H 1 8.136 0.006 A 78 ALA HA H 1 3.990 0.004 A 78 ALA HB% H 1 1.430 0.003 A 78 ALA C C 13 179.542 0.050 A 78 ALA CA C 13 54.937 0.063 A 78 ALA CB C 13 18.080 0.030 A 78 ALA N N 15 119.668 0.034 A 79 ALA H H 1 7.319 0.008 A 79 ALA HA H 1 4.139 0.004 A 79 ALA HB% H 1 1.475 0.004 A 79 ALA C C 13 180.800 0.050 A 79 ALA CA C 13 54.571 0.029 A 79 ALA CB C 13 18.268 0.031 A 79 ALA N N 15 118.918 0.029 A 80 ILE H H 1 8.227 0.008 A 80 ILE HA H 1 3.801 0.007 A 80 ILE HB H 1 1.813 0.013 A 80 ILE HD1% H 1 0.574 0.004 A 80 ILE HG12 H 1 1.806 0.008 A 80 ILE HG13 H 1 1.077 0.012 A 80 ILE HG2% H 1 0.875 0.019 A 80 ILE C C 13 177.302 0.050 A 80 ILE CA C 13 64.252 0.026 A 80 ILE CB C 13 39.115 0.025 A 80 ILE CD1 C 13 14.418 0.050 A 80 ILE CG1 C 13 29.635 0.050 A 80 ILE CG2 C 13 18.190 0.050 A 80 ILE N N 15 118.438 0.038 A 81 ALA H H 1 7.913 0.004 A 81 ALA HA H 1 4.466 0.004 A 81 ALA HB% H 1 1.548 0.003 A 81 ALA C C 13 176.153 0.050 A 81 ALA CA C 13 51.404 0.042 A 81 ALA CB C 13 20.200 0.037 A 81 ALA N N 15 117.917 0.017 A 82 ALA H H 1 7.223 0.005 A 82 ALA HA H 1 4.457 0.006 A 82 ALA HB% H 1 1.446 0.002 A 82 ALA CA C 13 52.276 0.007 A 82 ALA CB C 13 17.243 0.050 A 82 ALA N N 15 124.086 0.011 A 83 PRO HA H 1 4.692 0.005 A 83 PRO HB2 H 1 2.478 0.003 A 83 PRO HB3 H 1 1.986 0.003 A 83 PRO HD2 H 1 3.504 0.007 A 83 PRO HD3 H 1 3.419 0.003 A 83 PRO HG2 H 1 1.923 0.019 A 83 PRO HG3 H 1 1.670 0.004 A 83 PRO C C 13 175.169 0.050 A 83 PRO CA C 13 63.767 0.012 A 83 PRO CB C 13 32.624 0.024 A 83 PRO CD C 13 49.646 0.029 A 83 PRO CG C 13 24.237 0.050 A 84 ALA H H 1 8.528 0.007 A 84 ALA HA H 1 4.138 0.006 A 84 ALA HB% H 1 1.347 0.005 A 84 ALA C C 13 176.494 0.050 A 84 ALA CA C 13 53.432 0.049 A 84 ALA CB C 13 19.719 0.055 A 84 ALA N N 15 127.741 0.027 A 85 GLU H H 1 8.166 0.006 A 85 GLU HA H 1 4.228 0.007 A 85 GLU HB2 H 1 2.157 0.008 A 85 GLU HB3 H 1 1.926 0.009 A 85 GLU HG2 H 1 2.154 0.006 A 85 GLU HG3 H 1 1.935 0.002 A 85 GLU C C 13 175.094 0.050 A 85 GLU CA C 13 56.444 0.014 A 85 GLU CB C 13 30.803 0.041 A 85 GLU CG C 13 36.764 0.048 A 85 GLU N N 15 121.634 0.031 A 86 ILE H H 1 7.925 0.007 A 86 ILE HA H 1 5.269 0.005 A 86 ILE HB H 1 1.677 0.004 A 86 ILE HD1% H 1 0.818 0.006 A 86 ILE HG12 H 1 1.472 0.003 A 86 ILE HG13 H 1 0.896 0.003 A 86 ILE HG2% H 1 0.905 0.016 A 86 ILE C C 13 174.463 0.050 A 86 ILE CA C 13 59.329 0.053 A 86 ILE CB C 13 40.546 0.052 A 86 ILE CD1 C 13 16.021 0.050 A 86 ILE CG1 C 13 27.201 0.050 A 86 ILE CG2 C 13 19.655 0.050 A 86 ILE N N 15 122.543 0.047 A 87 PHE H H 1 9.050 0.006 A 87 PHE HA H 1 5.428 0.012 A 87 PHE HB2 H 1 2.883 0.010 A 87 PHE HB3 H 1 2.644 0.007 A 87 PHE HD1 H 1 6.965 0.001 A 87 PHE HD2 H 1 6.965 0.001 A 87 PHE C C 13 174.450 0.050 A 87 PHE CA C 13 55.029 0.011 A 87 PHE CB C 13 43.626 0.061 A 87 PHE N N 15 122.457 0.053 A 88 LEU H H 1 8.824 0.008 A 88 LEU HA H 1 5.358 0.006 A 88 LEU HB2 H 1 1.916 0.010 A 88 LEU HB3 H 1 1.395 0.007 A 88 LEU HD1% H 1 0.793 0.003 A 88 LEU HD2% H 1 0.863 0.004 A 88 LEU HG H 1 1.619 0.004 A 88 LEU C C 13 176.627 0.050 A 88 LEU CA C 13 52.654 0.031 A 88 LEU CB C 13 43.094 0.079 A 88 LEU CD1 C 13 25.452 0.050 A 88 LEU CD2 C 13 23.929 0.050 A 88 LEU N N 15 119.959 0.028 A 89 LEU H H 1 8.293 0.006 A 89 LEU HA H 1 4.432 0.005 A 89 LEU HB2 H 1 2.066 0.007 A 89 LEU HB3 H 1 0.966 0.020 A 89 LEU HD1% H 1 0.512 0.005 A 89 LEU HD2% H 1 0.883 0.009 A 89 LEU HG H 1 1.638 0.004 A 89 LEU C C 13 176.693 0.050 A 89 LEU CA C 13 55.385 0.014 A 89 LEU CB C 13 43.537 0.077 A 89 LEU N N 15 124.096 0.036 A 90 GLU H H 1 9.394 0.007 A 90 GLU HA H 1 3.895 0.009 A 90 GLU HB2 H 1 1.965 0.005 A 90 GLU HB3 H 1 1.739 0.009 A 90 GLU HG2 H 1 2.042 0.010 A 90 GLU HG3 H 1 2.101 0.001 A 90 GLU C C 13 175.199 0.050 A 90 GLU CA C 13 58.586 0.013 A 90 GLU CB C 13 30.831 0.086 A 90 GLU CG C 13 36.026 0.065 A 90 GLU N N 15 102.942 0.304 A 91 ASP H H 1 9.210 0.006 A 91 ASP HA H 1 4.184 0.008 A 91 ASP HB2 H 1 2.969 0.003 A 91 ASP HB3 H 1 2.929 0.010 A 91 ASP C C 13 176.159 0.050 A 91 ASP CA C 13 55.814 0.049 A 91 ASP CB C 13 39.033 0.050 A 91 ASP N N 15 120.515 0.032 A 92 GLY H H 1 7.902 0.007 A 92 GLY HA2 H 1 3.777 0.012 A 92 GLY HA3 H 1 3.746 0.005 A 92 GLY C C 13 172.980 0.050 A 92 GLY CA C 13 46.946 0.008 A 92 GLY N N 15 104.313 0.041 A 93 ILE H H 1 8.129 0.007 A 93 ILE HA H 1 3.902 0.005 A 93 ILE HB H 1 1.502 0.009 A 93 ILE HD1% H 1 0.766 0.005 A 93 ILE HG12 H 1 1.179 0.010 A 93 ILE HG13 H 1 1.157 0.007 A 93 ILE HG2% H 1 1.261 0.005 A 93 ILE C C 13 176.528 0.050 A 93 ILE CA C 13 63.908 0.034 A 93 ILE CB C 13 38.416 0.027 A 93 ILE CD1 C 13 14.957 0.050 A 93 ILE CG1 C 13 29.896 0.050 A 93 ILE CG2 C 13 17.095 0.050 A 93 ILE N N 15 121.445 0.033 A 94 ASP H H 1 9.161 0.006 A 94 ASP HA H 1 4.436 0.012 A 94 ASP HB2 H 1 3.077 0.012 A 94 ASP HB3 H 1 2.681 0.004 A 94 ASP C C 13 180.174 0.050 A 94 ASP CA C 13 58.351 0.029 A 94 ASP CB C 13 39.223 0.040 A 94 ASP N N 15 126.304 0.027 A 95 GLY H H 1 8.080 0.008 A 95 GLY HA2 H 1 3.931 0.012 A 95 GLY HA3 H 1 3.765 0.006 A 95 GLY C C 13 176.108 0.050 A 95 GLY CA C 13 46.873 0.015 A 95 GLY N N 15 110.690 0.052 A 96 TRP H H 1 8.007 0.006 A 96 TRP HA H 1 3.795 0.008 A 96 TRP HB2 H 1 3.655 0.006 A 96 TRP HB3 H 1 2.901 0.004 A 96 TRP HE1 H 1 10.456 0.010 A 96 TRP C C 13 177.058 0.050 A 96 TRP CA C 13 61.633 0.012 A 96 TRP CB C 13 29.512 0.044 A 96 TRP N N 15 126.965 0.017 A 96 TRP NE1 N 15 133.402 0.000 A 97 LYS H H 1 8.696 0.006 A 97 LYS HA H 1 4.090 0.007 A 97 LYS HB2 H 1 1.918 0.003 A 97 LYS HB3 H 1 1.769 0.010 A 97 LYS HD2 H 1 1.696 0.003 A 97 LYS HD3 H 1 1.696 0.003 A 97 LYS HE2 H 1 2.842 0.003 A 97 LYS HE3 H 1 2.945 0.002 A 97 LYS HG2 H 1 1.774 0.005 A 97 LYS HG3 H 1 1.502 0.004 A 97 LYS C C 13 182.010 0.050 A 97 LYS CA C 13 59.776 0.042 A 97 LYS CB C 13 32.208 0.029 A 97 LYS CD C 13 29.516 0.050 A 97 LYS CE C 13 41.132 0.023 A 97 LYS CG C 13 26.376 0.050 A 97 LYS N N 15 116.604 0.025 A 98 ARG H H 1 8.280 0.007 A 98 ARG HA H 1 4.050 0.004 A 98 ARG HB2 H 1 1.952 0.017 A 98 ARG HB3 H 1 2.013 0.003 A 98 ARG HD2 H 1 3.245 0.015 A 98 ARG HD3 H 1 3.245 0.015 A 98 ARG HG2 H 1 1.834 0.010 A 98 ARG HG3 H 1 1.641 0.004 A 98 ARG C C 13 177.666 0.050 A 98 ARG CA C 13 59.509 0.037 A 98 ARG CB C 13 30.471 0.015 A 98 ARG CD C 13 43.723 0.050 A 98 ARG CG C 13 28.342 0.050 A 98 ARG N N 15 122.491 0.038 A 99 ALA H H 1 7.519 0.004 A 99 ALA HA H 1 4.276 0.007 A 99 ALA HB% H 1 1.285 0.003 A 99 ALA C C 13 176.800 0.050 A 99 ALA CA C 13 52.254 0.025 A 99 ALA CB C 13 18.270 0.049 A 99 ALA N N 15 119.546 0.015 A 100 GLY H H 1 7.926 0.008 A 100 GLY HA2 H 1 3.996 0.006 A 100 GLY HA3 H 1 3.685 0.009 A 100 GLY C C 13 174.232 0.050 A 100 GLY CA C 13 45.050 0.016 A 100 GLY N N 15 106.339 0.040 A 101 LEU H H 1 6.976 0.007 A 101 LEU HA H 1 4.286 0.002 A 101 LEU HB2 H 1 0.309 0.007 A 101 LEU HB3 H 1 -0.339 0.003 A 101 LEU HD1% H 1 -0.801 0.001 A 101 LEU HD2% H 1 0.263 0.006 A 101 LEU HG H 1 0.662 0.011 A 101 LEU CA C 13 53.183 0.012 A 101 LEU CB C 13 37.320 0.022 A 101 LEU N N 15 122.181 0.016 A 102 PRO HA H 1 4.476 0.002 A 102 PRO HB2 H 1 2.310 0.008 A 102 PRO HB3 H 1 1.892 0.007 A 102 PRO HD2 H 1 3.676 0.002 A 102 PRO HD3 H 1 3.545 0.002 A 102 PRO HG2 H 1 2.156 0.006 A 102 PRO HG3 H 1 2.011 0.005 A 102 PRO C C 13 177.424 0.050 A 102 PRO CA C 13 64.014 0.014 A 102 PRO CB C 13 33.200 0.039 A 102 PRO CD C 13 50.712 0.015 A 103 VAL H H 1 8.073 0.005 A 103 VAL HA H 1 4.643 0.007 A 103 VAL HB H 1 1.838 0.007 A 103 VAL HG1% H 1 0.779 0.001 A 103 VAL HG2% H 1 0.783 0.002 A 103 VAL C C 13 174.297 0.050 A 103 VAL CA C 13 59.693 0.013 A 103 VAL CB C 13 35.980 0.064 A 103 VAL CG1 C 13 23.330 0.050 A 103 VAL CG2 C 13 18.231 0.050 A 103 VAL N N 15 110.512 0.035 A 104 ALA H H 1 8.996 0.007 A 104 ALA HA H 1 4.550 0.003 A 104 ALA HB% H 1 0.662 0.006 A 104 ALA C C 13 176.190 0.050 A 104 ALA CA C 13 50.699 0.028 A 104 ALA CB C 13 19.534 0.066 A 104 ALA N N 15 125.898 0.033 A 105 VAL H H 1 8.276 0.009 A 105 VAL HA H 1 4.615 0.002 A 105 VAL HB H 1 2.084 0.005 A 105 VAL HG1% H 1 0.887 0.003 A 105 VAL HG2% H 1 0.955 0.007 A 105 VAL C C 13 175.576 0.050 A 105 VAL CA C 13 60.234 0.029 A 105 VAL CB C 13 34.683 0.040 A 105 VAL CG1 C 13 21.375 0.050 A 105 VAL CG2 C 13 19.907 0.050 A 105 VAL N N 15 119.534 0.080 A 106 ASN H H 1 8.190 0.006 A 106 ASN HA H 1 4.748 0.013 A 106 ASN HB2 H 1 2.885 0.002 A 106 ASN HB3 H 1 2.885 0.002 A 106 ASN C C 13 173.877 0.050 A 106 ASN CA C 13 53.465 0.025 A 106 ASN CB C 13 39.424 0.017 A 106 ASN N N 15 123.346 0.014 A 107 LYS H H 1 7.897 0.005 A 107 LYS HA H 1 4.161 0.001 A 107 LYS HB2 H 1 1.792 0.003 A 107 LYS HB3 H 1 1.686 0.005 A 107 LYS HG2 H 1 1.373 0.006 A 107 LYS HG3 H 1 1.373 0.006 A 107 LYS CA C 13 57.752 0.050 A 107 LYS CB C 13 34.063 0.092 A 107 LYS N N 15 127.167 0.014 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 ALA H A 1 MET HA 1.0 1.8 3.5 2 2 A 2 ALA H A 1 MET HB3 1.0 1.8 5.0 3 3 A 2 ALA H A 1 MET HB2 1.0 1.8 5.0 4 4 A 2 ALA H A 1 MET HG2 1.0 1.8 5.0 5 4 A 2 ALA H A 1 MET HG3 1.0 1.8 5.0 6 5 A 2 ALA H A 2 ALA HA 1.0 1.8 3.0 7 6 A 2 ALA H A 2 ALA HB% 1.0 1.8 3.5 8 7 A 2 ALA H A 3 LEU HG 1.0 1.8 6.0 9 8 A 2 ALA H A 3 LEU H 1.0 1.8 4.0 10 9 A 2 ALA H A 86 ILE HG13 1.0 1.8 6.0 11 9 A 2 ALA H A 86 ILE HG12 1.0 1.8 6.0 12 10 A 2 ALA H A 86 ILE HD1% 1.0 1.8 5.0 13 11 A 2 ALA HA A 3 LEU H 1.0 1.8 3.5 14 12 A 2 ALA HB% A 3 LEU H 1.0 1.8 4.0 15 13 A 3 LEU H A 3 LEU HA 1.0 1.8 3.0 16 14 A 3 LEU H A 3 LEU HB2 1.0 1.8 4.0 17 14 A 3 LEU H A 3 LEU HB3 1.0 1.8 4.0 18 15 A 3 LEU HG A 3 LEU H 1.0 1.8 4.5 19 16 A 3 LEU H A 3 LEU HD1% 1.0 1.8 6.0 20 16 A 3 LEU H A 3 LEU HD2% 1.0 1.8 6.0 21 17 A 3 LEU HD2% A 74 ALA HA 1.0 1.8 6.0 22 18 A 3 LEU HA A 4 THR H 1.0 1.8 3.5 23 19 A 4 THR H A 3 LEU HB2 1.0 1.8 4.0 24 19 A 3 LEU HB3 A 4 THR H 1.0 1.8 4.0 25 20 A 3 LEU HG A 4 THR H 1.0 1.8 5.0 26 21 A 4 THR H A 3 LEU HD1% 1.0 1.8 5.5 27 21 A 3 LEU HD2% A 4 THR H 1.0 1.8 5.5 28 22 A 3 LEU H A 4 THR H 1.0 1.8 5.0 29 23 A 4 THR H A 4 THR HA 1.0 1.8 3.0 30 24 A 4 THR H A 4 THR HB 1.0 1.8 3.0 31 25 A 4 THR H A 4 THR HG2% 1.0 1.8 5.0 32 26 A 4 THR H A 5 THR HA 1.0 1.8 6.0 33 27 A 4 THR H A 5 THR H 1.0 1.8 5.5 34 28 A 4 THR H A 85 GLU HA 1.0 1.8 6.0 35 29 A 4 THR H A 87 PHE HA 1.0 1.8 4.5 36 30 A 4 THR H A 87 PHE HD1 1.0 1.8 5.5 37 31 A 4 THR H A 88 LEU H 1.0 1.8 5.0 38 32 A 4 THR HB A 87 PHE HA 1.0 1.8 5.0 39 33 A 4 THR HG2% A 5 THR HA 1.0 1.8 6.0 40 34 A 4 THR HG2% A 6 ILE HA 1.0 1.8 6.0 41 35 A 4 THR HG2% A 6 ILE HG13 1.0 1.8 6.0 42 35 A 4 THR HG2% A 6 ILE HG12 1.0 1.8 6.0 43 36 A 4 THR HG2% A 87 PHE HA 1.0 1.8 6.0 44 37 A 4 THR HA A 5 THR H 1.0 1.8 3.5 45 38 A 4 THR HB A 5 THR H 1.0 1.8 5.0 46 39 A 4 THR HG2% A 5 THR H 1.0 1.8 4.0 47 40 A 5 THR HA A 5 THR H 1.0 1.8 3.0 48 41 A 5 THR H A 5 THR HB 1.0 1.8 4.5 49 42 A 5 THR H A 5 THR HG2% 1.0 1.8 4.5 50 43 A 5 THR H A 6 ILE H 1.0 1.8 5.0 51 44 A 5 THR HA A 3 LEU HD1% 1.0 1.8 6.0 52 45 A 5 THR HA A 88 LEU HB3 1.0 1.8 4.5 53 46 A 5 THR HA A 88 LEU HB2 1.0 1.8 4.5 54 47 A 5 THR HA A 88 LEU HG 1.0 1.8 4.5 55 48 A 5 THR HA A 88 LEU HD1% 1.0 1.8 6.0 56 48 A 5 THR HA A 88 LEU HD2% 1.0 1.8 6.0 57 49 A 5 THR HB A 88 LEU HB2 1.0 1.8 6.0 58 49 A 5 THR HB A 88 LEU HB3 1.0 1.8 6.0 59 50 A 5 THR HB A 90 GLU HB3 1.0 1.8 4.5 60 50 A 5 THR HB A 90 GLU HB2 1.0 1.8 4.5 61 51 A 5 THR HB A 90 GLU HG3 1.0 1.8 6.0 62 51 A 5 THR HB A 90 GLU HG2 1.0 1.8 6.0 63 52 A 5 THR HG2% A 3 LEU HD1% 1.0 1.8 6.0 64 53 A 5 THR HG2% A 88 LEU HB2 1.0 1.8 4.5 65 53 A 5 THR HG2% A 88 LEU HB3 1.0 1.8 4.5 66 54 A 5 THR HG2% A 90 GLU HA 1.0 1.8 5.0 67 55 A 5 THR HA A 6 ILE H 1.0 1.8 3.0 68 56 A 5 THR HB A 6 ILE H 1.0 1.8 3.0 69 57 A 5 THR HG2% A 6 ILE H 1.0 1.8 5.0 70 58 A 6 ILE HA A 6 ILE H 1.0 1.8 3.5 71 59 A 6 ILE H A 6 ILE HB 1.0 1.8 4.0 72 60 A 6 ILE H A 6 ILE HG13 1.0 1.8 5.0 73 61 A 6 ILE HG12 A 6 ILE H 1.0 1.8 5.0 74 62 A 6 ILE H A 6 ILE HG2% 1.0 1.8 4.0 75 63 A 6 ILE H A 6 ILE HD1% 1.0 1.8 6.0 76 64 A 88 LEU H A 6 ILE H 1.0 1.8 5.0 77 65 A 6 ILE H A 89 LEU HA 1.0 1.8 4.0 78 66 A 6 ILE H A 89 LEU HB2 1.0 1.8 6.0 79 66 A 6 ILE H A 89 LEU HB3 1.0 1.8 6.0 80 67 A 6 ILE H A 90 GLU H 1.0 1.8 3.5 81 68 A 6 ILE HG2% A 11 ALA HB% 1.0 1.8 5.0 82 69 A 6 ILE HG2% A 14 LEU HD2% 1.0 1.8 6.0 83 70 A 6 ILE HG2% A 61 ILE HD1% 1.0 1.8 6.0 84 71 A 87 PHE HA A 6 ILE HG2% 1.0 1.8 6.0 85 72 A 6 ILE HG2% A 87 PHE HB3 1.0 1.8 5.0 86 73 A 6 ILE HG2% A 87 PHE HB2 1.0 1.8 5.0 87 74 A 6 ILE HG2% A 89 LEU HA 1.0 1.8 5.0 88 75 A 6 ILE HD1% A 10 ASP HB3 1.0 1.8 4.5 89 76 A 6 ILE HD1% A 10 ASP HB2 1.0 1.8 4.5 90 77 A 6 ILE HD1% A 11 ALA HA 1.0 1.8 5.0 91 78 A 6 ILE HD1% A 11 ALA HB% 1.0 1.8 6.0 92 79 A 6 ILE HD1% A 14 LEU HD2% 1.0 1.8 6.0 93 80 A 6 ILE HD1% A 61 ILE HD1% 1.0 1.8 6.0 94 81 A 6 ILE HA A 7 SER H 1.0 1.8 3.0 95 82 A 6 ILE HB A 7 SER H 1.0 1.8 5.0 96 83 A 7 SER H A 6 ILE HG13 1.0 1.8 3.5 97 84 A 6 ILE HG12 A 7 SER H 1.0 1.8 3.5 98 85 A 6 ILE HG2% A 7 SER H 1.0 1.8 6.0 99 86 A 6 ILE HD1% A 7 SER H 1.0 1.8 6.0 100 87 A 7 SER H A 7 SER HA 1.0 1.8 3.5 101 88 A 7 SER H A 7 SER HB3 1.0 1.8 4.0 102 89 A 7 SER H A 7 SER HB2 1.0 1.8 4.0 103 90 A 10 ASP HB3 A 7 SER H 1.0 1.8 4.5 104 91 A 10 ASP HB2 A 7 SER H 1.0 1.8 4.5 105 92 A 7 SER H A 10 ASP H 1.0 1.8 5.0 106 93 A 6 ILE HG2% A 8 PRO HA 1.0 1.8 6.0 107 94 A 11 ALA HA A 8 PRO HA 1.0 1.8 6.0 108 95 A 8 PRO HA A 89 LEU HD1% 1.0 1.8 6.0 109 96 A 8 PRO HA A 89 LEU HD2% 1.0 1.8 6.0 110 97 A 89 LEU HD2% A 8 PRO HB3 1.0 1.8 6.0 111 98 A 89 LEU HD2% A 8 PRO HB2 1.0 1.8 6.0 112 99 A 96 TRP HA A 8 PRO HB3 1.0 1.8 5.0 113 100 A 96 TRP HA A 8 PRO HB2 1.0 1.8 5.0 114 101 A 99 ALA HB% A 8 PRO HB3 1.0 1.8 4.5 115 102 A 99 ALA HB% A 8 PRO HB2 1.0 1.8 4.5 116 103 A 96 TRP HA A 8 PRO HG3 1.0 1.8 5.0 117 104 A 96 TRP HA A 8 PRO HG2 1.0 1.8 5.0 118 105 A 99 ALA HB% A 8 PRO HG3 1.0 1.8 6.0 119 106 A 99 ALA HB% A 8 PRO HG2 1.0 1.8 6.0 120 107 A 7 SER HA A 8 PRO HD3 1.0 1.8 3.0 121 108 A 7 SER HA A 8 PRO HD2 1.0 1.8 3.0 122 109 A 7 SER HB3 A 8 PRO HD3 1.0 1.8 5.0 123 110 A 7 SER HB2 A 8 PRO HD2 1.0 1.8 5.0 124 111 A 7 SER HA A 9 HIS H 1.0 1.8 5.0 125 112 A 7 SER HB3 A 9 HIS H 1.0 1.8 5.0 126 113 A 7 SER HB3 A 9 HIS H 1.0 1.8 5.0 127 114 A 8 PRO HA A 9 HIS H 1.0 1.8 4.0 128 115 A 9 HIS H A 8 PRO HB3 1.0 1.8 4.5 129 116 A 9 HIS H A 8 PRO HB2 1.0 1.8 4.5 130 117 A 9 HIS H A 8 PRO HG3 1.0 1.8 4.5 131 117 A 9 HIS H A 8 PRO HG2 1.0 1.8 4.5 132 118 A 9 HIS H A 9 HIS HA 1.0 1.8 3.0 133 119 A 9 HIS H A 9 HIS HB3 1.0 1.8 4.0 134 120 A 9 HIS H A 9 HIS HB2 1.0 1.8 4.0 135 121 A 10 ASP H A 9 HIS H 1.0 1.8 3.0 136 122 A 9 HIS H A 11 ALA H 1.0 1.8 5.0 137 123 A 96 TRP HA A 9 HIS H 1.0 1.8 6.0 138 124 A 99 ALA HB% A 9 HIS H 1.0 1.8 6.0 139 125 A 9 HIS HA A 12 GLN HB3 1.0 1.8 4.5 140 126 A 9 HIS HA A 12 GLN HB2 1.0 1.8 4.5 141 127 A 9 HIS HA A 12 GLN HG2 1.0 1.8 6.0 142 127 A 9 HIS HA A 12 GLN HG3 1.0 1.8 6.0 143 128 A 9 HIS HA A 101 LEU HD1% 1.0 1.8 6.0 144 129 A 6 ILE HB A 10 ASP H 1.0 1.8 6.0 145 130 A 10 ASP H A 6 ILE HG13 1.0 1.8 5.0 146 130 A 6 ILE HG12 A 10 ASP H 1.0 1.8 5.0 147 131 A 6 ILE HG2% A 10 ASP H 1.0 1.8 6.0 148 132 A 6 ILE HD1% A 10 ASP H 1.0 1.8 6.0 149 133 A 7 SER HA A 10 ASP H 1.0 1.8 5.5 150 134 A 7 SER HB3 A 10 ASP H 1.0 1.8 5.5 151 135 A 7 SER HB2 A 10 ASP H 1.0 1.8 5.5 152 136 A 10 ASP H A 8 PRO HA 1.0 1.8 5.0 153 137 A 10 ASP H A 8 PRO HB2 1.0 1.8 6.0 154 137 A 10 ASP H A 8 PRO HB3 1.0 1.8 6.0 155 138 A 10 ASP H A 9 HIS HA 1.0 1.8 4.0 156 139 A 10 ASP H A 9 HIS HB3 1.0 1.8 4.0 157 140 A 10 ASP H A 9 HIS HB2 1.0 1.8 4.0 158 141 A 10 ASP H A 10 ASP HA 1.0 1.8 3.0 159 142 A 10 ASP HB3 A 10 ASP H 1.0 1.8 4.0 160 143 A 10 ASP HB2 A 10 ASP H 1.0 1.8 4.0 161 144 A 11 ALA HA A 10 ASP H 1.0 1.8 6.0 162 145 A 10 ASP H A 11 ALA H 1.0 1.8 3.0 163 146 A 10 ASP H A 13 GLU H 1.0 1.8 5.0 164 147 A 10 ASP HA A 13 GLU HB2 1.0 1.8 4.5 165 147 A 10 ASP HA A 13 GLU HB3 1.0 1.8 4.5 166 148 A 6 ILE HD1% A 10 ASP HB3 1.0 1.8 4.5 167 149 A 6 ILE HD1% A 10 ASP HB2 1.0 1.8 4.5 168 150 A 11 ALA H A 6 ILE HG13 1.0 1.8 4.0 169 150 A 6 ILE HG12 A 11 ALA H 1.0 1.8 4.0 170 151 A 6 ILE HG2% A 11 ALA H 1.0 1.8 6.0 171 152 A 6 ILE HD1% A 11 ALA H 1.0 1.8 5.0 172 153 A 8 PRO HA A 11 ALA H 1.0 1.8 4.0 173 154 A 9 HIS HA A 11 ALA H 1.0 1.8 5.0 174 155 A 11 ALA H A 9 HIS HB3 1.0 1.8 6.0 175 155 A 11 ALA H A 9 HIS HB2 1.0 1.8 6.0 176 156 A 11 ALA H A 10 ASP HA 1.0 1.8 4.0 177 157 A 10 ASP HB3 A 11 ALA H 1.0 1.8 4.0 178 158 A 10 ASP HB2 A 11 ALA H 1.0 1.8 4.0 179 159 A 11 ALA HA A 11 ALA H 1.0 1.8 3.0 180 160 A 11 ALA HB% A 11 ALA H 1.0 1.8 4.0 181 161 A 11 ALA H A 12 GLN HB3 1.0 1.8 6.0 182 162 A 11 ALA H A 12 GLN HB2 1.0 1.8 6.0 183 163 A 11 ALA H A 12 GLN H 1.0 1.8 3.0 184 164 A 11 ALA H A 14 LEU HG 1.0 1.8 6.0 185 165 A 6 ILE HG2% A 11 ALA HA 1.0 1.8 6.0 186 166 A 6 ILE HD1% A 11 ALA HA 1.0 1.8 5.0 187 167 A 11 ALA HA A 14 LEU HB3 1.0 1.8 4.5 188 168 A 11 ALA HA A 14 LEU HB2 1.0 1.8 4.5 189 169 A 14 LEU HD2% A 11 ALA HA 1.0 1.8 5.0 190 170 A 11 ALA HA A 15 ILE HD1% 1.0 1.8 6.0 191 171 A 61 ILE HD1% A 11 ALA HA 1.0 1.8 4.5 192 172 A 6 ILE HG2% A 11 ALA HB% 1.0 1.8 5.0 193 173 A 6 ILE HD1% A 11 ALA HB% 1.0 1.8 6.0 194 174 A 11 ALA HB% A 14 LEU HD2% 1.0 1.8 6.0 195 175 A 11 ALA HB% A 15 ILE HD1% 1.0 1.8 6.0 196 176 A 11 ALA HB% A 61 ILE HD1% 1.0 1.8 5.0 197 177 A 6 ILE HG2% A 12 GLN H 1.0 1.8 6.0 198 178 A 6 ILE HD1% A 12 GLN H 1.0 1.8 6.0 199 179 A 8 PRO HA A 12 GLN H 1.0 1.8 4.5 200 180 A 8 PRO HB3 A 12 GLN H 1.0 1.8 6.0 201 181 A 12 GLN H A 8 PRO HB2 1.0 1.8 6.0 202 182 A 9 HIS HA A 12 GLN H 1.0 1.8 4.0 203 183 A 10 ASP HA A 12 GLN H 1.0 1.8 5.0 204 184 A 10 ASP H A 12 GLN H 1.0 1.8 5.0 205 185 A 11 ALA HA A 12 GLN H 1.0 1.8 4.0 206 186 A 11 ALA HB% A 12 GLN H 1.0 1.8 4.0 207 187 A 12 GLN H A 12 GLN HA 1.0 1.8 3.0 208 188 A 12 GLN H A 12 GLN HB3 1.0 1.8 3.5 209 189 A 12 GLN H A 12 GLN HB2 1.0 1.8 3.5 210 190 A 12 GLN HG3 A 12 GLN H 1.0 1.8 5.0 211 191 A 12 GLN H A 12 GLN HG2 1.0 1.8 5.0 212 192 A 13 GLU H A 12 GLN H 1.0 1.8 3.0 213 193 A 12 GLN H A 14 LEU HG 1.0 1.8 5.0 214 194 A 12 GLN H A 14 LEU H 1.0 1.8 5.0 215 195 A 12 GLN H A 15 ILE HB 1.0 1.8 6.0 216 196 A 12 GLN H A 15 ILE HD1% 1.0 1.8 6.0 217 197 A 12 GLN H A 15 ILE H 1.0 1.8 6.0 218 198 A 61 ILE HD1% A 12 GLN H 1.0 1.8 6.0 219 199 A 101 LEU HD1% A 12 GLN H 1.0 1.8 6.0 220 200 A 11 ALA HB% A 12 GLN HA 1.0 1.8 5.5 221 201 A 12 GLN HA A 15 ILE HB 1.0 1.8 4.0 222 202 A 12 GLN HA A 15 ILE HG2% 1.0 1.8 5.5 223 203 A 15 ILE HD1% A 12 GLN HA 1.0 1.8 5.0 224 204 A 15 ILE HD1% A 12 GLN HB3 1.0 1.8 6.0 225 205 A 15 ILE HD1% A 12 GLN HB2 1.0 1.8 6.0 226 206 A 12 GLN HG3 A 15 ILE HD1% 1.0 1.8 6.0 227 207 A 15 ILE HD1% A 12 GLN HG2 1.0 1.8 6.0 228 208 A 12 GLN HG3 A 101 LEU HD1% 1.0 1.8 6.0 229 209 A 101 LEU HD1% A 12 GLN HG2 1.0 1.8 6.0 230 210 A 12 GLN HG3 A 101 LEU HD2% 1.0 1.8 6.0 231 211 A 101 LEU HD2% A 12 GLN HG2 1.0 1.8 6.0 232 212 A 9 HIS HA A 13 GLU H 1.0 1.8 5.0 233 213 A 10 ASP HA A 13 GLU H 1.0 1.8 4.0 234 214 A 11 ALA HA A 13 GLU H 1.0 1.8 5.0 235 215 A 11 ALA H A 13 GLU H 1.0 1.8 5.0 236 216 A 13 GLU H A 12 GLN HA 1.0 1.8 4.0 237 217 A 13 GLU H A 12 GLN HB2 1.0 1.8 4.0 238 217 A 13 GLU H A 12 GLN HB3 1.0 1.8 4.0 239 218 A 13 GLU H A 13 GLU HA 1.0 1.8 3.0 240 219 A 13 GLU H A 13 GLU HB2 1.0 1.8 3.0 241 219 A 13 GLU H A 13 GLU HB3 1.0 1.8 3.0 242 220 A 13 GLU H A 13 GLU HG3 1.0 1.8 3.0 243 221 A 13 GLU H A 13 GLU HG2 1.0 1.8 3.0 244 222 A 13 GLU H A 14 LEU HB2 1.0 1.8 6.0 245 222 A 13 GLU H A 14 LEU HB3 1.0 1.8 6.0 246 223 A 13 GLU H A 14 LEU HD1% 1.0 1.8 6.0 247 224 A 13 GLU H A 14 LEU H 1.0 1.8 3.0 248 225 A 13 GLU H A 15 ILE HB 1.0 1.8 6.0 249 226 A 13 GLU H A 15 ILE HD1% 1.0 1.8 6.0 250 227 A 13 GLU H A 15 ILE H 1.0 1.8 5.0 251 228 A 13 GLU H A 16 ALA H 1.0 1.8 6.0 252 229 A 13 GLU HA A 16 ALA HB% 1.0 1.8 4.5 253 230 A 14 LEU HD1% A 13 GLU HB2 1.0 1.8 6.0 254 230 A 13 GLU HB3 A 14 LEU HD1% 1.0 1.8 6.0 255 231 A 16 ALA HB% A 13 GLU HB2 1.0 1.8 6.0 256 231 A 13 GLU HB3 A 16 ALA HB% 1.0 1.8 6.0 257 232 A 10 ASP HA A 13 GLU HG3 1.0 1.8 5.5 258 233 A 10 ASP HA A 13 GLU HG2 1.0 1.8 5.5 259 234 A 10 ASP HA A 14 LEU H 1.0 1.8 5.0 260 235 A 11 ALA HA A 14 LEU H 1.0 1.8 4.0 261 236 A 11 ALA H A 14 LEU H 1.0 1.8 6.0 262 237 A 12 GLN HA A 14 LEU H 1.0 1.8 5.0 263 238 A 14 LEU H A 13 GLU HA 1.0 1.8 4.0 264 239 A 14 LEU H A 13 GLU HB2 1.0 1.8 5.0 265 239 A 13 GLU HB3 A 14 LEU H 1.0 1.8 5.0 266 240 A 14 LEU H A 13 GLU HG3 1.0 1.8 5.5 267 241 A 14 LEU H A 13 GLU HG2 1.0 1.8 5.5 268 242 A 14 LEU H A 14 LEU HA 1.0 1.8 3.0 269 243 A 14 LEU H A 14 LEU HB3 1.0 1.8 4.0 270 244 A 14 LEU H A 14 LEU HB2 1.0 1.8 4.0 271 245 A 14 LEU HG A 14 LEU H 1.0 1.8 3.5 272 246 A 14 LEU H A 14 LEU HD1% 1.0 1.8 5.0 273 247 A 14 LEU HD2% A 14 LEU H 1.0 1.8 5.0 274 248 A 14 LEU H A 15 ILE HB 1.0 1.8 6.0 275 249 A 15 ILE HD1% A 14 LEU H 1.0 1.8 6.0 276 250 A 14 LEU H A 15 ILE H 1.0 1.8 3.0 277 251 A 14 LEU H A 16 ALA H 1.0 1.8 5.0 278 252 A 14 LEU H A 19 ALA HB% 1.0 1.8 6.0 279 253 A 61 ILE HD1% A 14 LEU H 1.0 1.8 6.0 280 254 A 14 LEU HA A 17 ARG HB3 1.0 1.8 5.0 281 255 A 14 LEU HA A 17 ARG HB2 1.0 1.8 5.0 282 256 A 14 LEU HB3 A 19 ALA HB% 1.0 1.8 4.0 283 257 A 19 ALA HB% A 14 LEU HB2 1.0 1.8 4.0 284 258 A 6 ILE HG2% A 14 LEU HD1% 1.0 1.8 6.0 285 259 A 11 ALA HA A 14 LEU HD1% 1.0 1.8 6.0 286 260 A 14 LEU HD1% A 17 ARG HD2 1.0 1.8 6.0 287 260 A 14 LEU HD1% A 17 ARG HD3 1.0 1.8 6.0 288 261 A 61 ILE HD1% A 14 LEU HD1% 1.0 1.8 6.0 289 262 A 14 LEU HD2% A 61 ILE HD1% 1.0 1.8 6.0 290 263 A 11 ALA HA A 15 ILE H 1.0 1.8 5.0 291 264 A 12 GLN HA A 15 ILE H 1.0 1.8 4.0 292 265 A 15 ILE H A 13 GLU HA 1.0 1.8 5.0 293 266 A 15 ILE H A 13 GLU HB2 1.0 1.8 6.0 294 266 A 13 GLU HB3 A 15 ILE H 1.0 1.8 6.0 295 267 A 15 ILE H A 14 LEU HA 1.0 1.8 4.0 296 268 A 15 ILE H A 14 LEU HB2 1.0 1.8 4.5 297 268 A 15 ILE H A 14 LEU HB3 1.0 1.8 4.5 298 269 A 15 ILE H A 14 LEU HD1% 1.0 1.8 6.0 299 270 A 14 LEU HD2% A 15 ILE H 1.0 1.8 6.0 300 271 A 15 ILE H A 15 ILE HA 1.0 1.8 3.0 301 272 A 15 ILE HB A 15 ILE H 1.0 1.8 3.5 302 273 A 15 ILE H A 15 ILE HG13 1.0 1.8 4.0 303 273 A 15 ILE H A 15 ILE HG12 1.0 1.8 4.0 304 274 A 15 ILE H A 15 ILE HG2% 1.0 1.8 5.5 305 275 A 15 ILE HD1% A 15 ILE H 1.0 1.8 5.5 306 276 A 15 ILE H A 16 ALA HA 1.0 1.8 6.0 307 277 A 15 ILE H A 16 ALA H 1.0 1.8 3.0 308 278 A 15 ILE H A 17 ARG H 1.0 1.8 5.0 309 279 A 15 ILE H A 19 ALA H 1.0 1.8 6.0 310 280 A 61 ILE HD1% A 15 ILE H 1.0 1.8 6.0 311 281 A 15 ILE HA A 17 ARG HB2 1.0 1.8 6.0 312 281 A 15 ILE HA A 17 ARG HB3 1.0 1.8 6.0 313 282 A 19 ALA HB% A 15 ILE HG13 1.0 1.8 6.0 314 283 A 19 ALA HB% A 15 ILE HG12 1.0 1.8 6.0 315 284 A 21 LEU HD2% A 15 ILE HG13 1.0 1.8 6.0 316 285 A 15 ILE HG12 A 21 LEU HD2% 1.0 1.8 6.0 317 286 A 15 ILE HG2% A 16 ALA HA 1.0 1.8 5.0 318 287 A 15 ILE HG2% A 21 LEU HD1% 1.0 1.8 6.0 319 288 A 15 ILE HG2% A 21 LEU HD2% 1.0 1.8 6.0 320 289 A 15 ILE HG2% A 37 GLU HB3 1.0 1.8 6.0 321 289 A 15 ILE HG2% A 37 GLU HB2 1.0 1.8 6.0 322 290 A 15 ILE HG2% A 37 GLU HG3 1.0 1.8 6.0 323 291 A 15 ILE HG2% A 37 GLU HG2 1.0 1.8 6.0 324 292 A 15 ILE HD1% A 21 LEU HB3 1.0 1.8 6.0 325 293 A 15 ILE HD1% A 21 LEU HB2 1.0 1.8 6.0 326 294 A 15 ILE HD1% A 21 LEU HD1% 1.0 1.8 6.0 327 295 A 15 ILE HD1% A 21 LEU HD2% 1.0 1.8 6.0 328 296 A 15 ILE HD1% A 35 ILE HG2% 1.0 1.8 6.0 329 297 A 12 GLN HA A 16 ALA H 1.0 1.8 5.0 330 298 A 16 ALA H A 12 GLN HG2 1.0 1.8 6.0 331 298 A 12 GLN HG3 A 16 ALA H 1.0 1.8 6.0 332 299 A 13 GLU HA A 16 ALA H 1.0 1.8 4.0 333 300 A 16 ALA H A 13 GLU HB2 1.0 1.8 6.0 334 300 A 13 GLU HB3 A 16 ALA H 1.0 1.8 6.0 335 301 A 16 ALA H A 14 LEU HA 1.0 1.8 5.0 336 302 A 16 ALA H A 14 LEU HB2 1.0 1.8 6.0 337 302 A 14 LEU HB3 A 16 ALA H 1.0 1.8 6.0 338 303 A 14 LEU HD1% A 16 ALA H 1.0 1.8 6.0 339 304 A 16 ALA H A 15 ILE HA 1.0 1.8 4.0 340 305 A 15 ILE HB A 16 ALA H 1.0 1.8 3.0 341 306 A 15 ILE HG2% A 16 ALA H 1.0 1.8 4.5 342 307 A 15 ILE HD1% A 16 ALA H 1.0 1.8 6.0 343 308 A 16 ALA H A 16 ALA HA 1.0 1.8 3.0 344 309 A 16 ALA H A 16 ALA HB% 1.0 1.8 3.5 345 310 A 16 ALA H A 17 ARG HA 1.0 1.8 5.5 346 311 A 16 ALA H A 17 ARG HB2 1.0 1.8 6.0 347 311 A 16 ALA H A 17 ARG HB3 1.0 1.8 6.0 348 312 A 16 ALA H A 17 ARG H 1.0 1.8 3.0 349 313 A 16 ALA HB% A 12 GLN HB2 1.0 1.8 6.0 350 313 A 12 GLN HB3 A 16 ALA HB% 1.0 1.8 6.0 351 314 A 13 GLU HG3 A 16 ALA HB% 1.0 1.8 6.0 352 315 A 13 GLU HG2 A 16 ALA HB% 1.0 1.8 6.0 353 316 A 16 ALA HB% A 17 ARG HB2 1.0 1.8 6.0 354 316 A 16 ALA HB% A 17 ARG HB3 1.0 1.8 6.0 355 317 A 13 GLU HA A 17 ARG H 1.0 1.8 6.0 356 318 A 14 LEU HA A 17 ARG H 1.0 1.8 5.0 357 319 A 14 LEU HG A 17 ARG H 1.0 1.8 6.0 358 320 A 14 LEU HD1% A 17 ARG H 1.0 1.8 6.0 359 321 A 15 ILE HA A 17 ARG H 1.0 1.8 6.0 360 322 A 15 ILE HG2% A 17 ARG H 1.0 1.8 6.0 361 323 A 16 ALA HA A 17 ARG H 1.0 1.8 5.0 362 324 A 16 ALA HB% A 17 ARG H 1.0 1.8 4.5 363 325 A 17 ARG H A 17 ARG HA 1.0 1.8 3.0 364 326 A 17 ARG H A 17 ARG HB3 1.0 1.8 4.0 365 327 A 17 ARG H A 17 ARG HB2 1.0 1.8 4.0 366 328 A 17 ARG H A 17 ARG HG2 1.0 1.8 4.0 367 328 A 17 ARG H A 17 ARG HG3 1.0 1.8 4.0 368 329 A 17 ARG H A 17 ARG HD2 1.0 1.8 6.0 369 329 A 17 ARG HD3 A 17 ARG H 1.0 1.8 6.0 370 330 A 17 ARG H A 18 GLY HA2 1.0 1.8 6.0 371 330 A 17 ARG H A 18 GLY HA3 1.0 1.8 6.0 372 331 A 17 ARG H A 18 GLY H 1.0 1.8 3.0 373 332 A 17 ARG H A 19 ALA H 1.0 1.8 5.0 374 333 A 16 ALA HB% A 17 ARG HA 1.0 1.8 5.5 375 334 A 15 ILE HA A 18 GLY H 1.0 1.8 5.0 376 335 A 15 ILE HG2% A 18 GLY H 1.0 1.8 5.0 377 336 A 15 ILE H A 18 GLY H 1.0 1.8 6.0 378 337 A 16 ALA HA A 18 GLY H 1.0 1.8 5.0 379 338 A 16 ALA HB% A 18 GLY H 1.0 1.8 5.0 380 339 A 17 ARG HA A 18 GLY H 1.0 1.8 5.0 381 340 A 18 GLY HA3 A 18 GLY H 1.0 1.8 3.0 382 341 A 18 GLY H A 18 GLY HA2 1.0 1.8 3.0 383 342 A 19 ALA H A 18 GLY H 1.0 1.8 3.0 384 343 A 14 LEU HB3 A 19 ALA H 1.0 1.8 4.5 385 344 A 19 ALA H A 14 LEU HB2 1.0 1.8 4.5 386 345 A 14 LEU HD1% A 19 ALA H 1.0 1.8 5.0 387 346 A 15 ILE HA A 19 ALA H 1.0 1.8 5.0 388 347 A 19 ALA H A 17 ARG HA 1.0 1.8 6.0 389 348 A 19 ALA H A 17 ARG HB3 1.0 1.8 4.5 390 349 A 19 ALA H A 17 ARG HB2 1.0 1.8 4.5 391 350 A 19 ALA H A 18 GLY HA3 1.0 1.8 4.0 392 351 A 19 ALA H A 18 GLY HA2 1.0 1.8 4.0 393 352 A 19 ALA H A 19 ALA HA 1.0 1.8 3.0 394 353 A 19 ALA HB% A 19 ALA H 1.0 1.8 3.0 395 354 A 19 ALA H A 20 LYS H 1.0 1.8 5.0 396 355 A 61 ILE HD1% A 19 ALA H 1.0 1.8 6.0 397 356 A 19 ALA HA A 59 GLN HB3 1.0 1.8 4.0 398 357 A 19 ALA HA A 59 GLN HB2 1.0 1.8 4.0 399 358 A 14 LEU HD1% A 19 ALA HB% 1.0 1.8 6.0 400 359 A 14 LEU HD2% A 19 ALA HB% 1.0 1.8 6.0 401 360 A 19 ALA HB% A 15 ILE HA 1.0 1.8 5.0 402 361 A 19 ALA HB% A 17 ARG HB2 1.0 1.8 6.0 403 361 A 19 ALA HB% A 17 ARG HB3 1.0 1.8 6.0 404 362 A 19 ALA HB% A 21 LEU HD2% 1.0 1.8 6.0 405 363 A 19 ALA HB% A 59 GLN HG3 1.0 1.8 6.0 406 364 A 19 ALA HB% A 59 GLN HG2 1.0 1.8 6.0 407 365 A 19 ALA HA A 20 LYS H 1.0 1.8 3.0 408 366 A 19 ALA HB% A 20 LYS H 1.0 1.8 4.0 409 367 A 20 LYS H A 20 LYS HA 1.0 1.8 3.0 410 368 A 20 LYS H A 20 LYS HB3 1.0 1.8 3.5 411 369 A 20 LYS H A 20 LYS HB2 1.0 1.8 3.5 412 370 A 20 LYS H A 20 LYS HG2 1.0 1.8 5.0 413 370 A 20 LYS H A 20 LYS HG3 1.0 1.8 5.0 414 371 A 20 LYS H A 60 ILE HA 1.0 1.8 3.5 415 372 A 20 LYS H A 60 ILE HG12 1.0 1.8 5.0 416 372 A 20 LYS H A 60 ILE HG13 1.0 1.8 5.0 417 373 A 20 LYS H A 61 ILE H 1.0 1.8 4.5 418 374 A 22 ILE HD1% A 20 LYS HG2 1.0 1.8 6.0 419 374 A 20 LYS HG3 A 22 ILE HD1% 1.0 1.8 6.0 420 375 A 60 ILE HD1% A 20 LYS HG2 1.0 1.8 6.0 421 375 A 20 LYS HG3 A 60 ILE HD1% 1.0 1.8 6.0 422 376 A 22 ILE HD1% A 20 LYS HE3 1.0 1.8 6.0 423 377 A 22 ILE HD1% A 20 LYS HE2 1.0 1.8 6.0 424 378 A 19 ALA HB% A 21 LEU H 1.0 1.8 6.0 425 379 A 20 LYS HA A 21 LEU H 1.0 1.8 3.0 426 380 A 21 LEU H A 20 LYS HG2 1.0 1.8 4.5 427 380 A 20 LYS HG3 A 21 LEU H 1.0 1.8 4.5 428 381 A 20 LYS H A 21 LEU H 1.0 1.8 5.0 429 382 A 21 LEU H A 21 LEU HA 1.0 1.8 3.0 430 383 A 21 LEU H A 21 LEU HB3 1.0 1.8 4.0 431 384 A 21 LEU H A 21 LEU HB2 1.0 1.8 4.0 432 385 A 21 LEU HD1% A 21 LEU H 1.0 1.8 5.0 433 386 A 21 LEU HD2% A 21 LEU H 1.0 1.8 5.0 434 387 A 21 LEU H A 22 ILE H 1.0 1.8 5.0 435 388 A 21 LEU H A 38 ALA HA 1.0 1.8 4.0 436 389 A 61 ILE H A 21 LEU H 1.0 1.8 5.5 437 390 A 21 LEU HA A 61 ILE HB 1.0 1.8 4.0 438 391 A 38 ALA HA A 21 LEU HG 1.0 1.8 6.0 439 392 A 21 LEU HG A 38 ALA HB% 1.0 1.8 6.0 440 393 A 21 LEU HD1% A 35 ILE HG2% 1.0 1.8 6.0 441 394 A 21 LEU HD1% A 38 ALA HA 1.0 1.8 6.0 442 395 A 21 LEU HD1% A 38 ALA HB% 1.0 1.8 6.0 443 396 A 21 LEU HD1% A 61 ILE HB 1.0 1.8 6.0 444 397 A 21 LEU HD1% A 61 ILE HG2% 1.0 1.8 6.0 445 398 A 21 LEU HA A 22 ILE H 1.0 1.8 3.0 446 399 A 22 ILE H A 21 LEU HB3 1.0 1.8 4.5 447 400 A 22 ILE H A 21 LEU HB2 1.0 1.8 4.5 448 401 A 21 LEU HD1% A 22 ILE H 1.0 1.8 6.0 449 402 A 21 LEU HD2% A 22 ILE H 1.0 1.8 6.0 450 403 A 22 ILE H A 22 ILE HA 1.0 1.8 3.0 451 404 A 22 ILE H A 22 ILE HB 1.0 1.8 3.0 452 405 A 22 ILE H A 22 ILE HG12 1.0 1.8 4.0 453 405 A 22 ILE H A 22 ILE HG13 1.0 1.8 4.0 454 406 A 22 ILE H A 22 ILE HG2% 1.0 1.8 5.0 455 407 A 22 ILE HD1% A 22 ILE H 1.0 1.8 5.0 456 408 A 22 ILE H A 61 ILE HA 1.0 1.8 6.0 457 409 A 61 ILE H A 22 ILE H 1.0 1.8 4.0 458 410 A 22 ILE H A 62 PHE HA 1.0 1.8 3.0 459 411 A 22 ILE H A 63 HIS H 1.0 1.8 4.5 460 412 A 22 ILE HB A 24 ILE HG12 1.0 1.8 6.0 461 412 A 22 ILE HB A 24 ILE HG13 1.0 1.8 6.0 462 413 A 22 ILE HB A 24 ILE HG2% 1.0 1.8 6.0 463 414 A 22 ILE HB A 60 ILE HG2% 1.0 1.8 6.0 464 415 A 60 ILE HG2% A 22 ILE HG12 1.0 1.8 5.0 465 415 A 22 ILE HG13 A 60 ILE HG2% 1.0 1.8 5.0 466 416 A 22 ILE HG2% A 24 ILE HG12 1.0 1.8 6.0 467 416 A 22 ILE HG2% A 24 ILE HG13 1.0 1.8 6.0 468 417 A 22 ILE HG2% A 24 ILE HG2% 1.0 1.8 6.0 469 418 A 22 ILE HG2% A 60 ILE HG2% 1.0 1.8 6.0 470 419 A 20 LYS HA A 22 ILE HD1% 1.0 1.8 6.0 471 420 A 22 ILE HD1% A 20 LYS HB3 1.0 1.8 6.0 472 421 A 22 ILE HD1% A 20 LYS HB2 1.0 1.8 6.0 473 422 A 22 ILE HD1% A 20 LYS HD2 1.0 1.8 6.0 474 422 A 22 ILE HD1% A 20 LYS HD3 1.0 1.8 6.0 475 423 A 22 ILE HD1% A 24 ILE HG12 1.0 1.8 6.0 476 423 A 22 ILE HD1% A 24 ILE HG13 1.0 1.8 6.0 477 424 A 22 ILE HD1% A 41 ALA HB% 1.0 1.8 6.0 478 425 A 60 ILE HA A 22 ILE HD1% 1.0 1.8 6.0 479 426 A 22 ILE HD1% A 60 ILE HG2% 1.0 1.8 6.0 480 427 A 22 ILE HA A 23 ASP H 1.0 1.8 3.0 481 428 A 23 ASP H A 22 ILE HG12 1.0 1.8 5.5 482 428 A 22 ILE HG13 A 23 ASP H 1.0 1.8 5.5 483 429 A 22 ILE HG2% A 23 ASP H 1.0 1.8 4.0 484 430 A 22 ILE HD1% A 23 ASP H 1.0 1.8 5.0 485 431 A 22 ILE H A 23 ASP H 1.0 1.8 5.0 486 432 A 23 ASP H A 23 ASP HA 1.0 1.8 3.0 487 433 A 23 ASP H A 23 ASP HB3 1.0 1.8 3.0 488 434 A 23 ASP H A 23 ASP HB2 1.0 1.8 3.0 489 435 A 24 ILE HG2% A 23 ASP H 1.0 1.8 6.0 490 436 A 38 ALA HA A 23 ASP H 1.0 1.8 6.0 491 437 A 38 ALA HB% A 23 ASP H 1.0 1.8 5.0 492 438 A 23 ASP H A 39 ASP HB3 1.0 1.8 5.0 493 438 A 23 ASP H A 39 ASP HB2 1.0 1.8 5.0 494 439 A 23 ASP H A 39 ASP H 1.0 1.8 5.0 495 440 A 23 ASP H A 40 LEU HA 1.0 1.8 4.0 496 441 A 23 ASP H A 40 LEU HD1% 1.0 1.8 6.0 497 442 A 23 ASP H A 40 LEU H 1.0 1.8 6.0 498 443 A 38 ALA HB% A 23 ASP HB3 1.0 1.8 6.0 499 444 A 38 ALA HB% A 23 ASP HB2 1.0 1.8 6.0 500 445 A 23 ASP HB3 A 40 LEU HD1% 1.0 1.8 6.0 501 446 A 23 ASP HB2 A 40 LEU HD1% 1.0 1.8 6.0 502 447 A 23 ASP HA A 24 ILE H 1.0 1.8 3.0 503 448 A 23 ASP HB3 A 24 ILE H 1.0 1.8 5.0 504 449 A 23 ASP HB2 A 24 ILE H 1.0 1.8 5.0 505 450 A 24 ILE H A 24 ILE HA 1.0 1.8 3.0 506 451 A 24 ILE H A 24 ILE HB 1.0 1.8 4.0 507 452 A 24 ILE H A 24 ILE HG12 1.0 1.8 4.0 508 452 A 24 ILE HG13 A 24 ILE H 1.0 1.8 4.0 509 453 A 24 ILE HG2% A 24 ILE H 1.0 1.8 4.0 510 454 A 24 ILE H A 24 ILE HD1% 1.0 1.8 5.0 511 455 A 24 ILE H A 25 ARG HA 1.0 1.8 6.0 512 456 A 24 ILE H A 25 ARG HG2 1.0 1.8 6.0 513 456 A 24 ILE H A 25 ARG HG3 1.0 1.8 6.0 514 457 A 24 ILE H A 25 ARG H 1.0 1.8 3.5 515 458 A 63 HIS H A 24 ILE H 1.0 1.8 4.0 516 459 A 24 ILE H A 64 CYS HA 1.0 1.8 3.5 517 460 A 24 ILE HA A 42 PRO HA 1.0 1.8 3.5 518 461 A 22 ILE HD1% A 24 ILE HG2% 1.0 1.8 6.0 519 462 A 24 ILE HG2% A 43 LEU HB3 1.0 1.8 6.0 520 463 A 24 ILE HG2% A 43 LEU HB2 1.0 1.8 6.0 521 464 A 24 ILE HG2% A 62 PHE HB3 1.0 1.8 6.0 522 465 A 24 ILE HG2% A 62 PHE HB2 1.0 1.8 6.0 523 466 A 24 ILE HG2% A 69 ARG HG2 1.0 1.8 6.0 524 466 A 24 ILE HG2% A 69 ARG HG3 1.0 1.8 6.0 525 467 A 24 ILE HG2% A 77 LEU HD1% 1.0 1.8 6.0 526 468 A 24 ILE HG2% A 77 LEU HD2% 1.0 1.8 6.0 527 469 A 24 ILE HD1% A 64 CYS HB3 1.0 1.8 6.0 528 470 A 24 ILE HD1% A 64 CYS HB2 1.0 1.8 6.0 529 471 A 24 ILE HD1% A 43 LEU HB3 1.0 1.8 6.0 530 472 A 24 ILE HD1% A 43 LEU HB2 1.0 1.8 6.0 531 473 A 24 ILE HD1% A 77 LEU HD1% 1.0 1.8 6.0 532 474 A 24 ILE HD1% A 77 LEU HD2% 1.0 1.8 6.0 533 475 A 23 ASP HB3 A 25 ARG H 1.0 1.8 6.0 534 476 A 23 ASP HB2 A 25 ARG H 1.0 1.8 6.0 535 477 A 24 ILE HA A 25 ARG H 1.0 1.8 4.0 536 478 A 24 ILE HB A 25 ARG H 1.0 1.8 5.0 537 479 A 25 ARG H A 24 ILE HG12 1.0 1.8 5.0 538 479 A 24 ILE HG13 A 25 ARG H 1.0 1.8 5.0 539 480 A 24 ILE HG2% A 25 ARG H 1.0 1.8 5.5 540 481 A 25 ARG HA A 25 ARG H 1.0 1.8 3.0 541 482 A 25 ARG H A 25 ARG HB3 1.0 1.8 4.0 542 483 A 25 ARG H A 25 ARG HB2 1.0 1.8 4.0 543 484 A 25 ARG H A 25 ARG HD3 1.0 1.8 6.0 544 485 A 25 ARG H A 25 ARG HD2 1.0 1.8 6.0 545 486 A 25 ARG H A 26 ASP H 1.0 1.8 5.0 546 487 A 40 LEU HD1% A 25 ARG H 1.0 1.8 6.0 547 488 A 25 ARG H A 42 PRO HA 1.0 1.8 4.0 548 489 A 25 ARG H A 42 PRO HB2 1.0 1.8 6.0 549 489 A 25 ARG H A 42 PRO HB3 1.0 1.8 6.0 550 490 A 25 ARG H A 43 LEU HA 1.0 1.8 6.0 551 491 A 25 ARG H A 43 LEU HB3 1.0 1.8 6.0 552 492 A 25 ARG H A 43 LEU HB2 1.0 1.8 6.0 553 493 A 25 ARG H A 43 LEU HG 1.0 1.8 6.0 554 494 A 25 ARG H A 43 LEU HD1% 1.0 1.8 6.0 555 495 A 25 ARG H A 64 CYS HA 1.0 1.8 5.5 556 496 A 25 ARG HA A 26 ASP H 1.0 1.8 3.0 557 497 A 26 ASP H A 25 ARG HB3 1.0 1.8 4.0 558 498 A 26 ASP H A 25 ARG HB2 1.0 1.8 4.0 559 499 A 25 ARG HG3 A 26 ASP H 1.0 1.8 5.0 560 500 A 26 ASP H A 25 ARG HG2 1.0 1.8 5.0 561 501 A 25 ARG HD3 A 26 ASP H 1.0 1.8 6.0 562 502 A 25 ARG HD2 A 26 ASP H 1.0 1.8 6.0 563 503 A 26 ASP H A 26 ASP HA 1.0 1.8 3.0 564 504 A 26 ASP H A 26 ASP HB3 1.0 1.8 4.0 565 505 A 26 ASP H A 26 ASP HB2 1.0 1.8 4.0 566 506 A 26 ASP H A 27 ALA H 1.0 1.8 5.0 567 507 A 26 ASP H A 29 GLU HB3 1.0 1.8 5.0 568 508 A 26 ASP H A 29 GLU HB2 1.0 1.8 5.0 569 509 A 26 ASP H A 65 GLN HB3 1.0 1.8 6.0 570 510 A 26 ASP H A 65 GLN HB2 1.0 1.8 6.0 571 511 A 25 ARG HA A 27 ALA H 1.0 1.8 6.0 572 512 A 26 ASP HA A 27 ALA H 1.0 1.8 3.0 573 513 A 27 ALA H A 26 ASP HB3 1.0 1.8 4.5 574 514 A 27 ALA H A 26 ASP HB2 1.0 1.8 4.5 575 515 A 27 ALA H A 27 ALA HA 1.0 1.8 3.0 576 516 A 27 ALA H A 27 ALA HB% 1.0 1.8 3.5 577 517 A 27 ALA H A 29 GLU H 1.0 1.8 5.0 578 518 A 27 ALA H A 30 TYR HB3 1.0 1.8 6.0 579 518 A 27 ALA H A 30 TYR HB2 1.0 1.8 6.0 580 519 A 27 ALA H A 40 LEU HD2% 1.0 1.8 5.0 581 520 A 27 ALA H A 42 PRO HB2 1.0 1.8 6.0 582 520 A 42 PRO HB3 A 27 ALA H 1.0 1.8 6.0 583 521 A 40 LEU HD1% A 27 ALA HA 1.0 1.8 6.0 584 522 A 27 ALA HA A 40 LEU HD2% 1.0 1.8 6.0 585 523 A 26 ASP HA A 27 ALA HB% 1.0 1.8 6.0 586 524 A 27 ALA HB% A 28 ASP HA 1.0 1.8 6.0 587 525 A 27 ALA HB% A 34 HIS HB3 1.0 1.8 6.0 588 525 A 27 ALA HB% A 34 HIS HB2 1.0 1.8 6.0 589 526 A 40 LEU HD1% A 27 ALA HB% 1.0 1.8 6.0 590 527 A 27 ALA HB% A 40 LEU HD2% 1.0 1.8 6.0 591 528 A 26 ASP HA A 28 ASP H 1.0 1.8 5.0 592 529 A 28 ASP H A 26 ASP HB3 1.0 1.8 4.0 593 529 A 28 ASP H A 26 ASP HB2 1.0 1.8 4.0 594 530 A 27 ALA HA A 28 ASP H 1.0 1.8 4.0 595 531 A 27 ALA HB% A 28 ASP H 1.0 1.8 4.0 596 532 A 28 ASP HA A 28 ASP H 1.0 1.8 3.0 597 533 A 28 ASP H A 28 ASP HB2 1.0 1.8 3.5 598 533 A 28 ASP H A 28 ASP HB3 1.0 1.8 3.5 599 534 A 28 ASP H A 29 GLU HA 1.0 1.8 6.0 600 535 A 28 ASP H A 29 GLU HG3 1.0 1.8 6.0 601 536 A 28 ASP H A 29 GLU HG2 1.0 1.8 6.0 602 537 A 28 ASP H A 30 TYR HB3 1.0 1.8 6.0 603 537 A 30 TYR HB2 A 28 ASP H 1.0 1.8 6.0 604 538 A 28 ASP H A 31 LEU HD1% 1.0 1.8 6.0 605 538 A 28 ASP H A 31 LEU HD2% 1.0 1.8 6.0 606 539 A 40 LEU HD2% A 28 ASP H 1.0 1.8 6.0 607 540 A 29 GLU H A 28 ASP H 1.0 1.8 3.0 608 541 A 28 ASP H A 30 TYR H 1.0 1.8 5.0 609 542 A 28 ASP H A 31 LEU H 1.0 1.8 6.0 610 543 A 28 ASP HA A 31 LEU HB3 1.0 1.8 5.0 611 544 A 28 ASP HA A 31 LEU HB2 1.0 1.8 5.0 612 545 A 28 ASP HA A 31 LEU HD1% 1.0 1.8 6.0 613 545 A 28 ASP HA A 31 LEU HD2% 1.0 1.8 6.0 614 546 A 28 ASP HB2 A 29 GLU HG3 1.0 1.8 5.0 615 546 A 28 ASP HB3 A 29 GLU HG3 1.0 1.8 5.0 616 546 A 29 GLU HG2 A 28 ASP HB2 1.0 1.8 5.0 617 546 A 28 ASP HB3 A 29 GLU HG2 1.0 1.8 5.0 618 547 A 29 GLU H A 25 ARG HB2 1.0 1.8 6.0 619 547 A 29 GLU H A 25 ARG HB3 1.0 1.8 6.0 620 548 A 29 GLU H A 26 ASP HB3 1.0 1.8 3.5 621 548 A 29 GLU H A 26 ASP HB2 1.0 1.8 3.5 622 549 A 26 ASP H A 29 GLU H 1.0 1.8 5.5 623 550 A 27 ALA HA A 29 GLU H 1.0 1.8 5.0 624 551 A 27 ALA HB% A 29 GLU H 1.0 1.8 6.0 625 552 A 29 GLU H A 28 ASP HA 1.0 1.8 4.0 626 553 A 29 GLU H A 28 ASP HB2 1.0 1.8 4.0 627 553 A 29 GLU H A 28 ASP HB3 1.0 1.8 4.0 628 554 A 29 GLU H A 29 GLU HA 1.0 1.8 3.0 629 555 A 29 GLU HB3 A 29 GLU H 1.0 1.8 4.0 630 556 A 29 GLU HB2 A 29 GLU H 1.0 1.8 4.0 631 557 A 29 GLU H A 29 GLU HG3 1.0 1.8 4.0 632 558 A 29 GLU H A 29 GLU HG2 1.0 1.8 4.0 633 559 A 29 GLU H A 30 TYR HB3 1.0 1.8 5.0 634 560 A 29 GLU H A 30 TYR HB2 1.0 1.8 5.0 635 561 A 29 GLU H A 31 LEU H 1.0 1.8 5.0 636 562 A 29 GLU H A 32 ARG HB2 1.0 1.8 6.0 637 562 A 29 GLU H A 32 ARG HB3 1.0 1.8 6.0 638 563 A 29 GLU H A 32 ARG H 1.0 1.8 6.0 639 564 A 26 ASP HB3 A 29 GLU HG3 1.0 1.8 6.0 640 565 A 26 ASP HB2 A 29 GLU HG3 1.0 1.8 6.0 641 566 A 29 GLU HG2 A 26 ASP HB3 1.0 1.8 6.0 642 567 A 26 ASP HB2 A 29 GLU HG2 1.0 1.8 6.0 643 568 A 30 TYR H A 25 ARG HB2 1.0 1.8 5.5 644 568 A 30 TYR H A 25 ARG HB3 1.0 1.8 5.5 645 569 A 30 TYR H A 26 ASP HB3 1.0 1.8 5.0 646 569 A 26 ASP HB2 A 30 TYR H 1.0 1.8 5.0 647 570 A 27 ALA HA A 30 TYR H 1.0 1.8 4.0 648 571 A 27 ALA HB% A 30 TYR H 1.0 1.8 6.0 649 572 A 28 ASP HA A 30 TYR H 1.0 1.8 5.0 650 573 A 29 GLU HA A 30 TYR H 1.0 1.8 4.0 651 574 A 29 GLU HB3 A 30 TYR H 1.0 1.8 4.0 652 575 A 29 GLU HB2 A 30 TYR H 1.0 1.8 4.0 653 576 A 30 TYR H A 29 GLU HG3 1.0 1.8 5.0 654 577 A 30 TYR H A 29 GLU HG2 1.0 1.8 5.0 655 578 A 29 GLU H A 30 TYR H 1.0 1.8 3.0 656 579 A 30 TYR H A 30 TYR HA 1.0 1.8 3.0 657 580 A 30 TYR H A 30 TYR HB3 1.0 1.8 3.0 658 581 A 30 TYR HB2 A 30 TYR H 1.0 1.8 3.0 659 582 A 30 TYR H A 31 LEU HB3 1.0 1.8 6.0 660 583 A 30 TYR H A 31 LEU HB2 1.0 1.8 6.0 661 584 A 30 TYR H A 31 LEU HD1% 1.0 1.8 6.0 662 584 A 31 LEU HD2% A 30 TYR H 1.0 1.8 6.0 663 585 A 30 TYR H A 31 LEU H 1.0 1.8 3.0 664 586 A 30 TYR H A 32 ARG HB2 1.0 1.8 6.0 665 586 A 30 TYR H A 32 ARG HB3 1.0 1.8 6.0 666 587 A 30 TYR H A 32 ARG H 1.0 1.8 5.0 667 588 A 40 LEU HD1% A 30 TYR H 1.0 1.8 5.0 668 589 A 30 TYR HA A 34 HIS HA 1.0 1.8 5.0 669 590 A 40 LEU HD1% A 30 TYR HA 1.0 1.8 5.0 670 591 A 40 LEU HD1% A 30 TYR HB3 1.0 1.8 6.0 671 592 A 40 LEU HD1% A 30 TYR HB2 1.0 1.8 6.0 672 593 A 27 ALA HA A 31 LEU H 1.0 1.8 5.0 673 594 A 28 ASP HA A 31 LEU H 1.0 1.8 4.0 674 595 A 29 GLU HA A 31 LEU H 1.0 1.8 5.0 675 596 A 31 LEU H A 30 TYR HA 1.0 1.8 4.0 676 597 A 31 LEU H A 30 TYR HB3 1.0 1.8 4.0 677 598 A 30 TYR HB2 A 31 LEU H 1.0 1.8 4.0 678 599 A 31 LEU H A 31 LEU HA 1.0 1.8 3.0 679 600 A 31 LEU H A 31 LEU HB3 1.0 1.8 3.0 680 601 A 31 LEU H A 31 LEU HB2 1.0 1.8 3.0 681 602 A 31 LEU H A 32 ARG HB2 1.0 1.8 6.0 682 602 A 31 LEU H A 32 ARG HB3 1.0 1.8 6.0 683 603 A 31 LEU H A 32 ARG H 1.0 1.8 3.0 684 604 A 40 LEU HD2% A 31 LEU H 1.0 1.8 5.5 685 605 A 28 ASP HA A 31 LEU HG 1.0 1.8 6.0 686 606 A 28 ASP HA A 32 ARG H 1.0 1.8 5.0 687 607 A 29 GLU HA A 32 ARG H 1.0 1.8 4.0 688 608 A 32 ARG H A 30 TYR HA 1.0 1.8 5.0 689 609 A 32 ARG H A 31 LEU HA 1.0 1.8 4.0 690 610 A 31 LEU HB3 A 32 ARG H 1.0 1.8 4.0 691 611 A 31 LEU HB2 A 32 ARG H 1.0 1.8 4.0 692 612 A 32 ARG H A 31 LEU HD1% 1.0 1.8 6.0 693 612 A 31 LEU HD2% A 32 ARG H 1.0 1.8 6.0 694 613 A 32 ARG H A 32 ARG HA 1.0 1.8 3.0 695 614 A 32 ARG HB3 A 32 ARG H 1.0 1.8 4.0 696 615 A 32 ARG H A 32 ARG HB2 1.0 1.8 4.0 697 616 A 32 ARG H A 32 ARG HG3 1.0 1.8 4.0 698 617 A 32 ARG H A 32 ARG HG2 1.0 1.8 4.0 699 618 A 32 ARG H A 32 ARG HD2 1.0 1.8 5.0 700 618 A 32 ARG H A 32 ARG HD3 1.0 1.8 5.0 701 619 A 32 ARG H A 33 GLU H 1.0 1.8 3.0 702 620 A 32 ARG H A 33 GLU HB3 1.0 1.8 6.0 703 620 A 32 ARG H A 33 GLU HB2 1.0 1.8 6.0 704 621 A 32 ARG HA A 106 ASN HB2 1.0 1.8 6.0 705 621 A 32 ARG HA A 106 ASN HB3 1.0 1.8 6.0 706 622 A 32 ARG HD3 A 105 VAL HG2% 1.0 1.8 6.0 707 622 A 32 ARG HD2 A 105 VAL HG2% 1.0 1.8 6.0 708 622 A 105 VAL HG1% A 32 ARG HD2 1.0 1.8 6.0 709 622 A 32 ARG HD3 A 105 VAL HG1% 1.0 1.8 6.0 710 623 A 29 GLU HA A 33 GLU H 1.0 1.8 5.0 711 624 A 30 TYR HA A 33 GLU H 1.0 1.8 4.0 712 625 A 31 LEU HA A 33 GLU H 1.0 1.8 5.0 713 626 A 31 LEU H A 33 GLU H 1.0 1.8 5.0 714 627 A 32 ARG HA A 33 GLU H 1.0 1.8 4.0 715 628 A 33 GLU H A 32 ARG HB2 1.0 1.8 3.5 716 628 A 32 ARG HB3 A 33 GLU H 1.0 1.8 3.5 717 629 A 33 GLU H A 32 ARG HG3 1.0 1.8 5.0 718 630 A 33 GLU H A 32 ARG HG2 1.0 1.8 5.0 719 631 A 33 GLU H A 32 ARG HD2 1.0 1.8 6.0 720 631 A 32 ARG HD3 A 33 GLU H 1.0 1.8 6.0 721 632 A 33 GLU H A 33 GLU HA 1.0 1.8 3.0 722 633 A 33 GLU H A 33 GLU HB3 1.0 1.8 3.5 723 633 A 33 GLU H A 33 GLU HB2 1.0 1.8 3.5 724 634 A 33 GLU H A 33 GLU HG3 1.0 1.8 5.0 725 634 A 33 GLU H A 33 GLU HG2 1.0 1.8 5.0 726 635 A 34 HIS HA A 33 GLU H 1.0 1.8 5.5 727 636 A 33 GLU H A 34 HIS HB3 1.0 1.8 6.0 728 637 A 34 HIS HB2 A 33 GLU H 1.0 1.8 6.0 729 638 A 33 GLU H A 34 HIS H 1.0 1.8 5.0 730 639 A 33 GLU H A 103 VAL HG2% 1.0 1.8 6.0 731 639 A 33 GLU H A 103 VAL HG1% 1.0 1.8 6.0 732 640 A 33 GLU H A 105 VAL HG2% 1.0 1.8 6.0 733 641 A 103 VAL HG1% A 33 GLU HB3 1.0 1.8 6.0 734 641 A 33 GLU HB3 A 103 VAL HG2% 1.0 1.8 6.0 735 642 A 33 GLU HB2 A 103 VAL HG1% 1.0 1.8 6.0 736 642 A 33 GLU HB2 A 103 VAL HG2% 1.0 1.8 6.0 737 643 A 34 HIS HA A 33 GLU HG3 1.0 1.8 6.0 738 644 A 34 HIS HA A 33 GLU HG2 1.0 1.8 6.0 739 645 A 33 GLU HA A 34 HIS H 1.0 1.8 3.0 740 646 A 34 HIS H A 33 GLU HB3 1.0 1.8 4.5 741 646 A 33 GLU HB2 A 34 HIS H 1.0 1.8 4.5 742 647 A 34 HIS H A 33 GLU HG3 1.0 1.8 4.0 743 648 A 33 GLU HG2 A 34 HIS H 1.0 1.8 4.0 744 649 A 34 HIS HA A 34 HIS H 1.0 1.8 3.0 745 650 A 34 HIS H A 34 HIS HB3 1.0 1.8 4.0 746 651 A 34 HIS HB2 A 34 HIS H 1.0 1.8 4.0 747 652 A 34 HIS H A 35 ILE HA 1.0 1.8 6.0 748 653 A 34 HIS H A 35 ILE H 1.0 1.8 5.0 749 654 A 34 HIS H A 103 VAL HG2% 1.0 1.8 6.0 750 654 A 34 HIS H A 103 VAL HG1% 1.0 1.8 6.0 751 655 A 34 HIS H A 104 ALA HB% 1.0 1.8 6.0 752 656 A 34 HIS H A 104 ALA H 1.0 1.8 3.0 753 657 A 34 HIS H A 105 VAL HG2% 1.0 1.8 6.0 754 657 A 105 VAL HG1% A 34 HIS H 1.0 1.8 6.0 755 658 A 34 HIS H A 105 VAL H 1.0 1.8 6.0 756 659 A 34 HIS H A 106 ASN H 1.0 1.8 6.0 757 660 A 34 HIS H A 106 ASN HA 1.0 1.8 6.0 758 661 A 30 TYR HA A 34 HIS HB3 1.0 1.8 6.0 759 662 A 34 HIS HB2 A 30 TYR HA 1.0 1.8 6.0 760 663 A 34 HIS HA A 35 ILE H 1.0 1.8 3.0 761 664 A 35 ILE H A 34 HIS HB3 1.0 1.8 4.5 762 665 A 34 HIS HB2 A 35 ILE H 1.0 1.8 4.5 763 666 A 35 ILE HA A 35 ILE H 1.0 1.8 3.0 764 667 A 35 ILE H A 35 ILE HB 1.0 1.8 3.0 765 668 A 35 ILE H A 35 ILE HG13 1.0 1.8 4.0 766 669 A 35 ILE H A 35 ILE HG12 1.0 1.8 4.0 767 670 A 35 ILE HG2% A 35 ILE H 1.0 1.8 5.0 768 671 A 35 ILE H A 35 ILE HD1% 1.0 1.8 5.0 769 672 A 38 ALA HB% A 35 ILE H 1.0 1.8 4.5 770 673 A 35 ILE H A 93 ILE HD1% 1.0 1.8 4.5 771 674 A 35 ILE HA A 103 VAL HA 1.0 1.8 6.0 772 675 A 21 LEU HD1% A 35 ILE HB 1.0 1.8 6.0 773 676 A 38 ALA HB% A 35 ILE HB 1.0 1.8 4.5 774 677 A 93 ILE HD1% A 35 ILE HG13 1.0 1.8 6.0 775 678 A 93 ILE HD1% A 35 ILE HG12 1.0 1.8 6.0 776 679 A 35 ILE HG2% A 36 PRO HB2 1.0 1.8 6.0 777 679 A 35 ILE HG2% A 36 PRO HB3 1.0 1.8 6.0 778 680 A 35 ILE HG2% A 36 PRO HG3 1.0 1.8 6.0 779 680 A 35 ILE HG2% A 36 PRO HG2 1.0 1.8 6.0 780 681 A 35 ILE HG2% A 36 PRO HD3 1.0 1.8 4.5 781 682 A 35 ILE HG2% A 36 PRO HD2 1.0 1.8 4.5 782 683 A 35 ILE HG2% A 38 ALA HB% 1.0 1.8 5.0 783 684 A 35 ILE HG2% A 93 ILE HD1% 1.0 1.8 6.0 784 685 A 35 ILE HG2% A 103 VAL HA 1.0 1.8 6.0 785 686 A 35 ILE HD1% A 93 ILE HA 1.0 1.8 6.0 786 687 A 35 ILE HD1% A 93 ILE HG2% 1.0 1.8 6.0 787 688 A 35 ILE HD1% A 93 ILE HD1% 1.0 1.8 5.0 788 689 A 96 TRP HA A 35 ILE HD1% 1.0 1.8 6.0 789 690 A 35 ILE HD1% A 96 TRP HB2 1.0 1.8 6.0 790 690 A 35 ILE HD1% A 96 TRP HB3 1.0 1.8 6.0 791 691 A 104 ALA HB% A 35 ILE HD1% 1.0 1.8 6.0 792 692 A 35 ILE HA A 36 PRO HA 1.0 1.8 5.0 793 693 A 104 ALA HB% A 36 PRO HA 1.0 1.8 5.5 794 694 A 104 ALA HB% A 36 PRO HB3 1.0 1.8 6.0 795 695 A 104 ALA HB% A 36 PRO HB2 1.0 1.8 6.0 796 696 A 104 ALA HB% A 36 PRO HG3 1.0 1.8 4.5 797 697 A 104 ALA HB% A 36 PRO HG2 1.0 1.8 4.5 798 698 A 35 ILE HG2% A 36 PRO HD3 1.0 1.8 5.0 799 699 A 35 ILE HG2% A 36 PRO HD2 1.0 1.8 5.0 800 700 A 103 VAL HA A 36 PRO HD3 1.0 1.8 6.0 801 701 A 103 VAL HA A 36 PRO HD2 1.0 1.8 6.0 802 702 A 15 ILE HG2% A 37 GLU H 1.0 1.8 6.0 803 703 A 15 ILE HD1% A 37 GLU H 1.0 1.8 6.0 804 704 A 21 LEU HD1% A 37 GLU H 1.0 1.8 6.0 805 705 A 35 ILE HG2% A 37 GLU H 1.0 1.8 5.0 806 706 A 35 ILE HD1% A 37 GLU H 1.0 1.8 6.0 807 707 A 36 PRO HA A 37 GLU H 1.0 1.8 3.0 808 708 A 36 PRO HB3 A 37 GLU H 1.0 1.8 4.5 809 709 A 37 GLU H A 36 PRO HB2 1.0 1.8 4.5 810 710 A 37 GLU H A 36 PRO HG3 1.0 1.8 6.0 811 711 A 36 PRO HG2 A 37 GLU H 1.0 1.8 6.0 812 712 A 37 GLU H A 37 GLU HA 1.0 1.8 3.0 813 713 A 37 GLU H A 37 GLU HB3 1.0 1.8 4.5 814 714 A 37 GLU HB2 A 37 GLU H 1.0 1.8 4.5 815 715 A 37 GLU H A 37 GLU HG3 1.0 1.8 4.5 816 716 A 37 GLU H A 37 GLU HG2 1.0 1.8 4.5 817 717 A 38 ALA HB% A 37 GLU H 1.0 1.8 6.0 818 718 A 37 GLU H A 38 ALA H 1.0 1.8 3.0 819 719 A 104 ALA HB% A 37 GLU H 1.0 1.8 6.0 820 720 A 15 ILE HG2% A 37 GLU HA 1.0 1.8 6.0 821 721 A 15 ILE HG2% A 37 GLU HB3 1.0 1.8 6.0 822 722 A 15 ILE HG2% A 37 GLU HB2 1.0 1.8 6.0 823 723 A 15 ILE HD1% A 37 GLU HB3 1.0 1.8 6.0 824 724 A 15 ILE HD1% A 37 GLU HB2 1.0 1.8 6.0 825 725 A 15 ILE HG2% A 37 GLU HG3 1.0 1.8 5.0 826 726 A 15 ILE HG2% A 37 GLU HG2 1.0 1.8 5.0 827 727 A 21 LEU HD1% A 38 ALA H 1.0 1.8 6.0 828 728 A 35 ILE HB A 38 ALA H 1.0 1.8 4.5 829 729 A 35 ILE HG2% A 38 ALA H 1.0 1.8 5.0 830 730 A 35 ILE H A 38 ALA H 1.0 1.8 6.0 831 731 A 36 PRO HA A 38 ALA H 1.0 1.8 4.0 832 732 A 36 PRO HB3 A 38 ALA H 1.0 1.8 6.0 833 733 A 38 ALA H A 36 PRO HB2 1.0 1.8 6.0 834 734 A 37 GLU HA A 38 ALA H 1.0 1.8 4.0 835 735 A 38 ALA H A 37 GLU HB3 1.0 1.8 4.5 836 736 A 37 GLU HB2 A 38 ALA H 1.0 1.8 4.5 837 737 A 38 ALA H A 37 GLU HG3 1.0 1.8 5.5 838 737 A 38 ALA H A 37 GLU HG2 1.0 1.8 5.5 839 738 A 38 ALA HA A 38 ALA H 1.0 1.8 3.0 840 739 A 38 ALA HB% A 38 ALA H 1.0 1.8 3.5 841 740 A 39 ASP H A 38 ALA H 1.0 1.8 5.0 842 741 A 38 ALA HA A 21 LEU HB2 1.0 1.8 5.0 843 741 A 38 ALA HA A 21 LEU HB3 1.0 1.8 5.0 844 742 A 21 LEU HD1% A 38 ALA HA 1.0 1.8 5.0 845 743 A 15 ILE HD1% A 38 ALA HB% 1.0 1.8 6.0 846 744 A 21 LEU HD2% A 38 ALA HB% 1.0 1.8 6.0 847 745 A 38 ALA HB% A 35 ILE HG13 1.0 1.8 6.0 848 745 A 38 ALA HB% A 35 ILE HG12 1.0 1.8 6.0 849 746 A 38 ALA HB% A 35 ILE HD1% 1.0 1.8 6.0 850 747 A 38 ALA HB% A 36 PRO HD2 1.0 1.8 6.0 851 747 A 38 ALA HB% A 36 PRO HD3 1.0 1.8 6.0 852 748 A 39 ASP H A 20 LYS HG2 1.0 1.8 6.0 853 748 A 20 LYS HG3 A 39 ASP H 1.0 1.8 6.0 854 749 A 39 ASP H A 21 LEU HB3 1.0 1.8 5.0 855 750 A 39 ASP H A 21 LEU HB2 1.0 1.8 5.0 856 751 A 21 LEU HD1% A 39 ASP H 1.0 1.8 6.0 857 752 A 21 LEU H A 39 ASP H 1.0 1.8 5.0 858 753 A 22 ILE HA A 39 ASP H 1.0 1.8 3.5 859 754 A 22 ILE HG2% A 39 ASP H 1.0 1.8 6.0 860 755 A 22 ILE HD1% A 39 ASP H 1.0 1.8 6.0 861 756 A 22 ILE H A 39 ASP H 1.0 1.8 6.0 862 757 A 38 ALA HA A 39 ASP H 1.0 1.8 3.0 863 758 A 38 ALA HB% A 39 ASP H 1.0 1.8 4.0 864 759 A 39 ASP H A 39 ASP HA 1.0 1.8 3.0 865 760 A 39 ASP H A 39 ASP HB3 1.0 1.8 3.0 866 760 A 39 ASP HB2 A 39 ASP H 1.0 1.8 3.0 867 761 A 39 ASP H A 40 LEU H 1.0 1.8 5.0 868 762 A 22 ILE HG2% A 39 ASP HB3 1.0 1.8 6.0 869 763 A 22 ILE HG2% A 39 ASP HB2 1.0 1.8 6.0 870 764 A 22 ILE HD1% A 39 ASP HB3 1.0 1.8 6.0 871 765 A 22 ILE HD1% A 39 ASP HB2 1.0 1.8 6.0 872 766 A 40 LEU H A 39 ASP HA 1.0 1.8 3.0 873 767 A 40 LEU H A 39 ASP HB3 1.0 1.8 4.5 874 767 A 39 ASP HB2 A 40 LEU H 1.0 1.8 4.5 875 768 A 40 LEU HA A 40 LEU H 1.0 1.8 3.0 876 769 A 40 LEU H A 40 LEU HB3 1.0 1.8 3.0 877 770 A 40 LEU H A 40 LEU HB2 1.0 1.8 3.0 878 771 A 40 LEU HD1% A 40 LEU H 1.0 1.8 6.0 879 772 A 40 LEU H A 40 LEU HD2% 1.0 1.8 6.0 880 773 A 40 LEU H A 41 ALA H 1.0 1.8 5.5 881 774 A 40 LEU HD1% A 42 PRO HA 1.0 1.8 6.0 882 775 A 40 LEU HD1% A 42 PRO HD3 1.0 1.8 6.0 883 776 A 40 LEU HD1% A 42 PRO HD2 1.0 1.8 6.0 884 777 A 40 LEU HD2% A 30 TYR HB3 1.0 1.8 6.0 885 778 A 30 TYR HB2 A 40 LEU HD2% 1.0 1.8 6.0 886 779 A 22 ILE HB A 41 ALA H 1.0 1.8 6.0 887 780 A 41 ALA H A 22 ILE HG12 1.0 1.8 6.0 888 780 A 22 ILE HG13 A 41 ALA H 1.0 1.8 6.0 889 781 A 22 ILE HG2% A 41 ALA H 1.0 1.8 5.0 890 782 A 22 ILE HD1% A 41 ALA H 1.0 1.8 6.0 891 783 A 23 ASP HB3 A 41 ALA H 1.0 1.8 5.5 892 784 A 23 ASP HB2 A 41 ALA H 1.0 1.8 5.5 893 785 A 23 ASP H A 41 ALA H 1.0 1.8 4.5 894 786 A 24 ILE HA A 41 ALA H 1.0 1.8 4.0 895 787 A 24 ILE HB A 41 ALA H 1.0 1.8 6.0 896 788 A 40 LEU HA A 41 ALA H 1.0 1.8 3.0 897 789 A 40 LEU HB3 A 41 ALA H 1.0 1.8 4.5 898 790 A 40 LEU HB2 A 41 ALA H 1.0 1.8 4.5 899 791 A 40 LEU HD1% A 41 ALA H 1.0 1.8 5.5 900 792 A 40 LEU HD2% A 41 ALA H 1.0 1.8 5.5 901 793 A 41 ALA H A 41 ALA HA 1.0 1.8 3.0 902 794 A 41 ALA HB% A 41 ALA H 1.0 1.8 4.0 903 795 A 42 PRO HA A 41 ALA H 1.0 1.8 5.5 904 796 A 41 ALA H A 42 PRO HD3 1.0 1.8 5.5 905 797 A 41 ALA H A 42 PRO HD2 1.0 1.8 5.5 906 798 A 41 ALA HA A 42 PRO HG3 1.0 1.8 4.5 907 799 A 41 ALA HA A 42 PRO HG2 1.0 1.8 4.5 908 800 A 41 ALA HA A 42 PRO HD3 1.0 1.8 3.5 909 801 A 41 ALA HA A 42 PRO HD2 1.0 1.8 3.5 910 802 A 41 ALA HA A 45 VAL HG2% 1.0 1.8 6.0 911 803 A 22 ILE HG2% A 41 ALA HB% 1.0 1.8 5.0 912 804 A 41 ALA HB% A 42 PRO HD3 1.0 1.8 5.0 913 805 A 41 ALA HB% A 42 PRO HD2 1.0 1.8 5.0 914 806 A 41 ALA HB% A 46 LEU HG 1.0 1.8 6.0 915 807 A 24 ILE HG2% A 42 PRO HA 1.0 1.8 6.0 916 808 A 42 PRO HA A 26 ASP HA 1.0 1.8 6.0 917 809 A 42 PRO HB3 A 26 ASP HA 1.0 1.8 6.0 918 810 A 26 ASP HA A 42 PRO HB2 1.0 1.8 6.0 919 811 A 24 ILE HA A 43 LEU H 1.0 1.8 6.0 920 812 A 24 ILE HG2% A 43 LEU H 1.0 1.8 6.0 921 813 A 42 PRO HA A 43 LEU H 1.0 1.8 3.0 922 814 A 42 PRO HB3 A 43 LEU H 1.0 1.8 4.5 923 815 A 43 LEU H A 42 PRO HB2 1.0 1.8 4.5 924 816 A 43 LEU H A 42 PRO HG3 1.0 1.8 5.5 925 816 A 43 LEU H A 42 PRO HG2 1.0 1.8 5.5 926 817 A 43 LEU HA A 43 LEU H 1.0 1.8 3.0 927 818 A 43 LEU H A 43 LEU HB3 1.0 1.8 4.0 928 819 A 43 LEU H A 43 LEU HB2 1.0 1.8 4.0 929 820 A 43 LEU HG A 43 LEU H 1.0 1.8 4.0 930 821 A 43 LEU H A 43 LEU HD1% 1.0 1.8 5.5 931 821 A 43 LEU H A 43 LEU HD2% 1.0 1.8 5.5 932 822 A 43 LEU H A 44 SER H 1.0 1.8 3.5 933 823 A 24 ILE HG2% A 43 LEU HD1% 1.0 1.8 6.0 934 824 A 47 GLU HB2 A 43 LEU HD1% 1.0 1.8 4.0 935 824 A 43 LEU HD1% A 47 GLU HB3 1.0 1.8 4.0 936 825 A 24 ILE HB A 44 SER H 1.0 1.8 6.0 937 826 A 24 ILE HG2% A 44 SER H 1.0 1.8 6.0 938 827 A 42 PRO HA A 44 SER H 1.0 1.8 5.0 939 828 A 42 PRO HB3 A 44 SER H 1.0 1.8 4.0 940 829 A 44 SER H A 42 PRO HB2 1.0 1.8 4.0 941 830 A 43 LEU HA A 44 SER H 1.0 1.8 4.0 942 831 A 44 SER H A 43 LEU HB3 1.0 1.8 4.5 943 832 A 44 SER H A 43 LEU HB2 1.0 1.8 4.5 944 833 A 43 LEU HG A 44 SER H 1.0 1.8 4.5 945 834 A 44 SER H A 43 LEU HD1% 1.0 1.8 6.0 946 834 A 43 LEU HD2% A 44 SER H 1.0 1.8 6.0 947 835 A 44 SER H A 44 SER HA 1.0 1.8 3.0 948 836 A 44 SER H A 44 SER HB2 1.0 1.8 3.5 949 836 A 44 SER H A 44 SER HB3 1.0 1.8 3.5 950 837 A 44 SER H A 45 VAL HB 1.0 1.8 6.0 951 838 A 44 SER H A 45 VAL H 1.0 1.8 3.5 952 839 A 44 SER H A 46 LEU H 1.0 1.8 5.0 953 840 A 43 LEU HG A 44 SER HA 1.0 1.8 6.0 954 841 A 43 LEU HD2% A 44 SER HA 1.0 1.8 6.0 955 842 A 44 SER HA A 47 GLU HB3 1.0 1.8 4.5 956 843 A 47 GLU HB2 A 44 SER HA 1.0 1.8 4.5 957 844 A 44 SER HA A 47 GLU HG3 1.0 1.8 6.0 958 844 A 44 SER HA A 47 GLU HG2 1.0 1.8 6.0 959 845 A 24 ILE HB A 45 VAL H 1.0 1.8 6.0 960 846 A 42 PRO HA A 45 VAL H 1.0 1.8 5.0 961 847 A 42 PRO HB3 A 45 VAL H 1.0 1.8 5.5 962 848 A 45 VAL H A 42 PRO HB2 1.0 1.8 5.5 963 849 A 45 VAL H A 42 PRO HD3 1.0 1.8 6.0 964 850 A 45 VAL H A 42 PRO HD2 1.0 1.8 6.0 965 851 A 43 LEU HA A 45 VAL H 1.0 1.8 5.0 966 852 A 45 VAL H A 43 LEU HB2 1.0 1.8 6.0 967 852 A 45 VAL H A 43 LEU HB3 1.0 1.8 6.0 968 853 A 45 VAL H A 43 LEU HD1% 1.0 1.8 6.0 969 853 A 43 LEU HD2% A 45 VAL H 1.0 1.8 6.0 970 854 A 43 LEU H A 45 VAL H 1.0 1.8 5.0 971 855 A 44 SER HA A 45 VAL H 1.0 1.8 4.0 972 856 A 45 VAL H A 44 SER HB2 1.0 1.8 4.5 973 856 A 44 SER HB3 A 45 VAL H 1.0 1.8 4.5 974 857 A 45 VAL H A 45 VAL HA 1.0 1.8 3.0 975 858 A 45 VAL HB A 45 VAL H 1.0 1.8 4.5 976 859 A 45 VAL H A 45 VAL HG2% 1.0 1.8 4.5 977 859 A 45 VAL H A 45 VAL HG1% 1.0 1.8 4.5 978 860 A 45 VAL H A 46 LEU HB3 1.0 1.8 5.0 979 861 A 45 VAL H A 46 LEU HB2 1.0 1.8 5.0 980 862 A 45 VAL H A 46 LEU H 1.0 1.8 3.0 981 863 A 45 VAL HA A 48 GLN HG3 1.0 1.8 6.0 982 864 A 45 VAL HA A 48 GLN HG2 1.0 1.8 6.0 983 865 A 45 VAL HB A 42 PRO HD2 1.0 1.8 5.0 984 865 A 45 VAL HB A 42 PRO HD3 1.0 1.8 5.0 985 866 A 41 ALA HA A 45 VAL HG1% 1.0 1.8 6.0 986 867 A 42 PRO HA A 45 VAL HG1% 1.0 1.8 6.0 987 868 A 42 PRO HB3 A 45 VAL HG1% 1.0 1.8 5.0 988 869 A 45 VAL HG1% A 42 PRO HB2 1.0 1.8 5.0 989 870 A 42 PRO HG2 A 45 VAL HG1% 1.0 1.8 5.0 990 870 A 45 VAL HG1% A 42 PRO HG3 1.0 1.8 5.0 991 871 A 45 VAL HG1% A 42 PRO HD3 1.0 1.8 5.5 992 872 A 45 VAL HG1% A 42 PRO HD2 1.0 1.8 5.5 993 873 A 42 PRO HD3 A 45 VAL HG2% 1.0 1.8 6.0 994 874 A 42 PRO HD2 A 45 VAL HG2% 1.0 1.8 6.0 995 875 A 49 SER HB2 A 45 VAL HG2% 1.0 1.8 5.0 996 875 A 45 VAL HG2% A 49 SER HB3 1.0 1.8 5.0 997 876 A 46 LEU H A 42 PRO HB2 1.0 1.8 5.0 998 876 A 42 PRO HB3 A 46 LEU H 1.0 1.8 5.0 999 877 A 46 LEU H A 42 PRO HD2 1.0 1.8 6.0 1000 877 A 46 LEU H A 42 PRO HD3 1.0 1.8 6.0 1001 878 A 44 SER HA A 46 LEU H 1.0 1.8 5.0 1002 879 A 46 LEU H A 45 VAL HA 1.0 1.8 4.0 1003 880 A 45 VAL HB A 46 LEU H 1.0 1.8 4.5 1004 881 A 46 LEU H A 45 VAL HG2% 1.0 1.8 4.5 1005 882 A 46 LEU H A 46 LEU HA 1.0 1.8 3.0 1006 883 A 46 LEU H A 46 LEU HB3 1.0 1.8 3.0 1007 884 A 46 LEU H A 46 LEU HB2 1.0 1.8 3.0 1008 885 A 46 LEU HG A 46 LEU H 1.0 1.8 5.0 1009 886 A 46 LEU H A 46 LEU HD1% 1.0 1.8 6.0 1010 886 A 46 LEU H A 46 LEU HD2% 1.0 1.8 6.0 1011 887 A 46 LEU H A 47 GLU H 1.0 1.8 3.0 1012 888 A 46 LEU H A 48 GLN H 1.0 1.8 5.0 1013 889 A 46 LEU H A 49 SER H 1.0 1.8 5.5 1014 890 A 46 LEU H A 50 GLY H 1.0 1.8 6.0 1015 891 A 46 LEU HA A 45 VAL HG2% 1.0 1.8 4.5 1016 892 A 46 LEU HB3 A 80 ILE HD1% 1.0 1.8 6.0 1017 893 A 46 LEU HB2 A 80 ILE HD1% 1.0 1.8 6.0 1018 894 A 46 LEU HG A 50 GLY HA2 1.0 1.8 6.0 1019 894 A 46 LEU HG A 50 GLY HA3 1.0 1.8 6.0 1020 895 A 41 ALA HB% A 46 LEU HD1% 1.0 1.8 5.0 1021 896 A 43 LEU HA A 46 LEU HD1% 1.0 1.8 6.0 1022 897 A 77 LEU HD2% A 46 LEU HD1% 1.0 1.8 6.0 1023 898 A 80 ILE HD1% A 46 LEU HD1% 1.0 1.8 6.0 1024 899 A 41 ALA HB% A 46 LEU HD2% 1.0 1.8 6.0 1025 900 A 46 LEU HD2% A 80 ILE HG2% 1.0 1.8 6.0 1026 901 A 43 LEU HA A 47 GLU H 1.0 1.8 5.0 1027 902 A 44 SER HA A 47 GLU H 1.0 1.8 4.0 1028 903 A 45 VAL HA A 47 GLU H 1.0 1.8 5.0 1029 904 A 47 GLU H A 45 VAL HG2% 1.0 1.8 6.0 1030 905 A 45 VAL H A 47 GLU H 1.0 1.8 5.0 1031 906 A 46 LEU HA A 47 GLU H 1.0 1.8 4.0 1032 907 A 46 LEU HB3 A 47 GLU H 1.0 1.8 4.0 1033 908 A 46 LEU HB2 A 47 GLU H 1.0 1.8 4.0 1034 909 A 46 LEU HG A 47 GLU H 1.0 1.8 4.5 1035 910 A 47 GLU H A 46 LEU HD1% 1.0 1.8 6.0 1036 910 A 46 LEU HD2% A 47 GLU H 1.0 1.8 6.0 1037 911 A 47 GLU H A 47 GLU HA 1.0 1.8 3.0 1038 912 A 47 GLU H A 47 GLU HB3 1.0 1.8 3.0 1039 913 A 47 GLU HB2 A 47 GLU H 1.0 1.8 3.0 1040 914 A 47 GLU H A 47 GLU HG3 1.0 1.8 5.0 1041 914 A 47 GLU HG2 A 47 GLU H 1.0 1.8 5.0 1042 915 A 47 GLU H A 48 GLN HA 1.0 1.8 6.0 1043 916 A 47 GLU H A 48 GLN HB2 1.0 1.8 6.0 1044 916 A 47 GLU H A 48 GLN HB3 1.0 1.8 6.0 1045 917 A 47 GLU H A 48 GLN HG2 1.0 1.8 6.0 1046 917 A 47 GLU H A 48 GLN HG3 1.0 1.8 6.0 1047 918 A 47 GLU H A 48 GLN H 1.0 1.8 3.0 1048 919 A 47 GLU H A 49 SER H 1.0 1.8 5.0 1049 920 A 47 GLU HA A 43 LEU HD1% 1.0 1.8 6.0 1050 921 A 80 ILE HD1% A 47 GLU HA 1.0 1.8 6.0 1051 922 A 43 LEU HD1% A 47 GLU HG3 1.0 1.8 6.0 1052 923 A 47 GLU HG2 A 43 LEU HD1% 1.0 1.8 6.0 1053 924 A 76 LYS HD3 A 47 GLU HG3 1.0 1.8 5.0 1054 924 A 47 GLU HG3 A 76 LYS HD2 1.0 1.8 5.0 1055 925 A 47 GLU HG2 A 76 LYS HD3 1.0 1.8 5.0 1056 925 A 47 GLU HG2 A 76 LYS HD2 1.0 1.8 5.0 1057 926 A 80 ILE HD1% A 47 GLU HG3 1.0 1.8 6.0 1058 927 A 47 GLU HG2 A 80 ILE HD1% 1.0 1.8 6.0 1059 928 A 44 SER HA A 48 GLN H 1.0 1.8 5.0 1060 929 A 45 VAL HA A 48 GLN H 1.0 1.8 4.0 1061 930 A 48 GLN H A 45 VAL HG2% 1.0 1.8 6.0 1062 931 A 46 LEU HA A 48 GLN H 1.0 1.8 5.0 1063 932 A 48 GLN H A 46 LEU HD1% 1.0 1.8 6.0 1064 932 A 46 LEU HD2% A 48 GLN H 1.0 1.8 6.0 1065 933 A 48 GLN H A 47 GLU HA 1.0 1.8 4.0 1066 934 A 48 GLN H A 47 GLU HB3 1.0 1.8 4.0 1067 935 A 47 GLU HB2 A 48 GLN H 1.0 1.8 4.0 1068 936 A 48 GLN H A 47 GLU HG3 1.0 1.8 5.0 1069 936 A 47 GLU HG2 A 48 GLN H 1.0 1.8 5.0 1070 937 A 48 GLN H A 48 GLN HA 1.0 1.8 3.0 1071 938 A 48 GLN H A 48 GLN HB2 1.0 1.8 3.5 1072 938 A 48 GLN H A 48 GLN HB3 1.0 1.8 3.5 1073 939 A 48 GLN H A 48 GLN HG3 1.0 1.8 4.0 1074 940 A 48 GLN H A 48 GLN HG2 1.0 1.8 4.0 1075 941 A 48 GLN H A 49 SER HA 1.0 1.8 6.0 1076 942 A 48 GLN H A 49 SER HB3 1.0 1.8 6.0 1077 942 A 49 SER HB2 A 48 GLN H 1.0 1.8 6.0 1078 943 A 48 GLN H A 49 SER H 1.0 1.8 3.5 1079 944 A 48 GLN H A 50 GLY H 1.0 1.8 5.0 1080 945 A 45 VAL HA A 48 GLN HB2 1.0 1.8 4.5 1081 945 A 45 VAL HA A 48 GLN HB3 1.0 1.8 4.5 1082 946 A 45 VAL HG1% A 48 GLN HB3 1.0 1.8 6.0 1083 946 A 45 VAL HG1% A 48 GLN HB2 1.0 1.8 6.0 1084 947 A 48 GLN HB3 A 45 VAL HG2% 1.0 1.8 6.0 1085 947 A 45 VAL HG2% A 48 GLN HB2 1.0 1.8 6.0 1086 948 A 49 SER HA A 48 GLN HB2 1.0 1.8 5.5 1087 948 A 48 GLN HB3 A 49 SER HA 1.0 1.8 5.5 1088 949 A 49 SER H A 45 VAL HG2% 1.0 1.8 6.0 1089 950 A 49 SER H A 46 LEU HD1% 1.0 1.8 6.0 1090 950 A 46 LEU HD2% A 49 SER H 1.0 1.8 6.0 1091 951 A 49 SER H A 47 GLU HA 1.0 1.8 5.0 1092 952 A 49 SER H A 47 GLU HB3 1.0 1.8 6.0 1093 953 A 47 GLU HB2 A 49 SER H 1.0 1.8 6.0 1094 954 A 49 SER H A 48 GLN HA 1.0 1.8 4.0 1095 955 A 49 SER H A 48 GLN HB2 1.0 1.8 3.5 1096 955 A 49 SER H A 48 GLN HB3 1.0 1.8 3.5 1097 956 A 49 SER H A 48 GLN HG3 1.0 1.8 5.0 1098 957 A 49 SER H A 48 GLN HG2 1.0 1.8 5.0 1099 958 A 49 SER H A 49 SER HA 1.0 1.8 3.0 1100 959 A 49 SER H A 49 SER HB3 1.0 1.8 4.0 1101 960 A 49 SER HB2 A 49 SER H 1.0 1.8 4.0 1102 961 A 49 SER H A 50 GLY H 1.0 1.8 3.0 1103 962 A 45 VAL HB A 49 SER HB3 1.0 1.8 6.0 1104 963 A 45 VAL HB A 49 SER HB2 1.0 1.8 6.0 1105 964 A 50 GLY H A 46 LEU HD1% 1.0 1.8 6.0 1106 964 A 46 LEU HD2% A 50 GLY H 1.0 1.8 6.0 1107 965 A 50 GLY H A 47 GLU HB3 1.0 1.8 6.0 1108 965 A 47 GLU HB2 A 50 GLY H 1.0 1.8 6.0 1109 966 A 50 GLY H A 48 GLN HB2 1.0 1.8 5.5 1110 966 A 50 GLY H A 48 GLN HB3 1.0 1.8 5.5 1111 967 A 50 GLY H A 49 SER HA 1.0 1.8 3.5 1112 968 A 50 GLY H A 49 SER HB3 1.0 1.8 5.0 1113 969 A 49 SER HB2 A 50 GLY H 1.0 1.8 5.0 1114 970 A 50 GLY H A 50 GLY HA3 1.0 1.8 3.0 1115 971 A 50 GLY H A 50 GLY HA2 1.0 1.8 3.0 1116 972 A 50 GLY H A 51 LEU H 1.0 1.8 3.0 1117 973 A 50 GLY H A 80 ILE HD1% 1.0 1.8 5.5 1118 974 A 50 GLY HA3 A 51 LEU HD1% 1.0 1.8 6.0 1119 975 A 51 LEU HD1% A 50 GLY HA2 1.0 1.8 6.0 1120 976 A 51 LEU H A 49 SER HB3 1.0 1.8 6.0 1121 976 A 49 SER HB2 A 51 LEU H 1.0 1.8 6.0 1122 977 A 50 GLY HA3 A 51 LEU H 1.0 1.8 3.5 1123 978 A 51 LEU H A 50 GLY HA2 1.0 1.8 3.5 1124 979 A 51 LEU H A 51 LEU HA 1.0 1.8 3.0 1125 980 A 51 LEU H A 51 LEU HB3 1.0 1.8 3.0 1126 981 A 51 LEU H A 51 LEU HB2 1.0 1.8 3.0 1127 982 A 51 LEU H A 51 LEU HG 1.0 1.8 5.0 1128 983 A 51 LEU H A 51 LEU HD1% 1.0 1.8 6.0 1129 984 A 51 LEU H A 51 LEU HD2% 1.0 1.8 6.0 1130 985 A 51 LEU H A 80 ILE HG13 1.0 1.8 6.0 1131 985 A 51 LEU H A 80 ILE HG12 1.0 1.8 6.0 1132 986 A 80 ILE HD1% A 51 LEU H 1.0 1.8 5.0 1133 987 A 46 LEU HD2% A 51 LEU HA 1.0 1.8 6.0 1134 988 A 51 LEU HA A 52 PRO HD3 1.0 1.8 4.0 1135 989 A 51 LEU HA A 52 PRO HD2 1.0 1.8 4.0 1136 990 A 51 LEU HD1% A 52 PRO HA 1.0 1.8 6.0 1137 991 A 52 PRO HA A 53 ALA HB% 1.0 1.8 5.0 1138 992 A 55 LEU HD1% A 52 PRO HB3 1.0 1.8 6.0 1139 993 A 55 LEU HD1% A 52 PRO HB2 1.0 1.8 6.0 1140 994 A 51 LEU HA A 52 PRO HG2 1.0 1.8 5.0 1141 994 A 51 LEU HA A 52 PRO HG3 1.0 1.8 5.0 1142 995 A 55 LEU HD1% A 52 PRO HG2 1.0 1.8 6.0 1143 995 A 55 LEU HD1% A 52 PRO HG3 1.0 1.8 6.0 1144 996 A 55 LEU HD2% A 52 PRO HG2 1.0 1.8 6.0 1145 996 A 52 PRO HG3 A 55 LEU HD2% 1.0 1.8 6.0 1146 997 A 51 LEU HA A 52 PRO HD3 1.0 1.8 3.5 1147 998 A 51 LEU HA A 52 PRO HD2 1.0 1.8 3.5 1148 999 A 52 PRO HD3 A 55 LEU HD1% 1.0 1.8 6.0 1149 1000 A 52 PRO HD2 A 55 LEU HD1% 1.0 1.8 6.0 1150 1001 A 52 PRO HD3 A 55 LEU HD2% 1.0 1.8 6.0 1151 1002 A 52 PRO HD2 A 55 LEU HD2% 1.0 1.8 6.0 1152 1003 A 51 LEU HA A 53 ALA H 1.0 1.8 6.0 1153 1004 A 51 LEU HG A 53 ALA H 1.0 1.8 6.0 1154 1005 A 52 PRO HA A 53 ALA H 1.0 1.8 4.0 1155 1006 A 53 ALA H A 52 PRO HB3 1.0 1.8 5.0 1156 1007 A 53 ALA H A 52 PRO HB2 1.0 1.8 5.0 1157 1008 A 53 ALA H A 52 PRO HG2 1.0 1.8 5.5 1158 1008 A 52 PRO HG3 A 53 ALA H 1.0 1.8 5.5 1159 1009 A 53 ALA H A 53 ALA HA 1.0 1.8 3.0 1160 1010 A 53 ALA HB% A 53 ALA H 1.0 1.8 3.5 1161 1011 A 53 ALA H A 54 LYS H 1.0 1.8 3.0 1162 1012 A 53 ALA H A 55 LEU H 1.0 1.8 5.0 1163 1013 A 51 LEU HG A 54 LYS H 1.0 1.8 6.0 1164 1014 A 52 PRO HA A 54 LYS H 1.0 1.8 5.0 1165 1015 A 54 LYS H A 52 PRO HB2 1.0 1.8 6.0 1166 1015 A 54 LYS H A 52 PRO HB3 1.0 1.8 6.0 1167 1016 A 53 ALA HA A 54 LYS H 1.0 1.8 4.0 1168 1017 A 53 ALA HB% A 54 LYS H 1.0 1.8 4.0 1169 1018 A 54 LYS H A 54 LYS HA 1.0 1.8 3.0 1170 1019 A 54 LYS H A 54 LYS HB3 1.0 1.8 3.0 1171 1020 A 54 LYS H A 54 LYS HB2 1.0 1.8 3.0 1172 1021 A 54 LYS H A 54 LYS HG3 1.0 1.8 5.0 1173 1022 A 54 LYS H A 54 LYS HG2 1.0 1.8 5.0 1174 1023 A 54 LYS H A 54 LYS HD3 1.0 1.8 6.0 1175 1024 A 54 LYS H A 54 LYS HD2 1.0 1.8 6.0 1176 1025 A 54 LYS H A 55 LEU H 1.0 1.8 3.0 1177 1026 A 54 LYS H A 56 ARG H 1.0 1.8 5.0 1178 1027 A 55 LEU HD2% A 54 LYS HE2 1.0 1.8 6.0 1179 1027 A 55 LEU HD2% A 54 LYS HE3 1.0 1.8 6.0 1180 1028 A 52 PRO HA A 55 LEU H 1.0 1.8 4.5 1181 1029 A 55 LEU H A 52 PRO HB2 1.0 1.8 6.0 1182 1029 A 55 LEU H A 52 PRO HB3 1.0 1.8 6.0 1183 1030 A 55 LEU H A 52 PRO HG2 1.0 1.8 6.0 1184 1030 A 52 PRO HG3 A 55 LEU H 1.0 1.8 6.0 1185 1031 A 53 ALA HA A 55 LEU H 1.0 1.8 5.0 1186 1032 A 55 LEU H A 54 LYS HA 1.0 1.8 4.0 1187 1033 A 55 LEU H A 55 LEU HA 1.0 1.8 3.0 1188 1034 A 55 LEU H A 56 ARG HA 1.0 1.8 6.0 1189 1035 A 55 LEU H A 56 ARG H 1.0 1.8 3.0 1190 1036 A 53 ALA HA A 56 ARG H 1.0 1.8 4.0 1191 1037 A 54 LYS HA A 56 ARG H 1.0 1.8 5.0 1192 1038 A 56 ARG H A 54 LYS HB3 1.0 1.8 6.0 1193 1038 A 56 ARG H A 54 LYS HB2 1.0 1.8 6.0 1194 1039 A 56 ARG H A 54 LYS HG3 1.0 1.8 6.0 1195 1039 A 56 ARG H A 54 LYS HG2 1.0 1.8 6.0 1196 1040 A 56 ARG H A 55 LEU HA 1.0 1.8 4.0 1197 1041 A 56 ARG H A 55 LEU HB3 1.0 1.8 4.0 1198 1042 A 56 ARG H A 55 LEU HB2 1.0 1.8 4.0 1199 1043 A 55 LEU HD1% A 56 ARG H 1.0 1.8 6.0 1200 1044 A 55 LEU HD2% A 56 ARG H 1.0 1.8 6.0 1201 1045 A 56 ARG H A 56 ARG HA 1.0 1.8 3.0 1202 1046 A 56 ARG H A 56 ARG HB2 1.0 1.8 3.5 1203 1046 A 56 ARG H A 56 ARG HB3 1.0 1.8 3.5 1204 1047 A 56 ARG H A 56 ARG HG3 1.0 1.8 4.0 1205 1048 A 56 ARG H A 56 ARG HG2 1.0 1.8 4.0 1206 1049 A 56 ARG H A 56 ARG HD2 1.0 1.8 5.0 1207 1049 A 56 ARG H A 56 ARG HD3 1.0 1.8 5.0 1208 1050 A 56 ARG H A 57 HIS H 1.0 1.8 3.5 1209 1051 A 51 LEU HD1% A 56 ARG HD3 1.0 1.8 6.0 1210 1052 A 51 LEU HD1% A 56 ARG HD2 1.0 1.8 6.0 1211 1053 A 53 ALA HA A 56 ARG HD3 1.0 1.8 4.5 1212 1054 A 53 ALA HA A 56 ARG HD2 1.0 1.8 4.5 1213 1055 A 57 HIS H A 20 LYS HB3 1.0 1.8 6.0 1214 1055 A 57 HIS H A 20 LYS HB2 1.0 1.8 6.0 1215 1056 A 53 ALA HA A 57 HIS H 1.0 1.8 6.0 1216 1057 A 55 LEU HA A 57 HIS H 1.0 1.8 5.0 1217 1058 A 55 LEU HD2% A 57 HIS H 1.0 1.8 6.0 1218 1059 A 56 ARG HA A 57 HIS H 1.0 1.8 3.0 1219 1060 A 57 HIS H A 56 ARG HB2 1.0 1.8 4.5 1220 1060 A 56 ARG HB3 A 57 HIS H 1.0 1.8 4.5 1221 1061 A 57 HIS H A 56 ARG HD2 1.0 1.8 6.0 1222 1061 A 56 ARG HD3 A 57 HIS H 1.0 1.8 6.0 1223 1062 A 57 HIS H A 57 HIS HA 1.0 1.8 3.0 1224 1063 A 57 HIS H A 57 HIS HB3 1.0 1.8 4.0 1225 1064 A 57 HIS H A 57 HIS HB2 1.0 1.8 4.0 1226 1065 A 60 ILE HD1% A 57 HIS H 1.0 1.8 6.0 1227 1066 A 60 ILE HG2% A 57 HIS H 1.0 1.8 6.0 1228 1067 A 57 HIS HB3 A 20 LYS HG2 1.0 1.8 5.0 1229 1067 A 20 LYS HG3 A 57 HIS HB3 1.0 1.8 5.0 1230 1068 A 57 HIS HB2 A 20 LYS HG2 1.0 1.8 5.0 1231 1068 A 20 LYS HG3 A 57 HIS HB2 1.0 1.8 5.0 1232 1069 A 60 ILE HD1% A 57 HIS HB3 1.0 1.8 6.0 1233 1070 A 60 ILE HD1% A 57 HIS HB2 1.0 1.8 6.0 1234 1071 A 58 GLU H A 20 LYS HG2 1.0 1.8 4.5 1235 1071 A 20 LYS HG3 A 58 GLU H 1.0 1.8 4.5 1236 1072 A 57 HIS HA A 58 GLU H 1.0 1.8 3.0 1237 1073 A 57 HIS HB3 A 58 GLU H 1.0 1.8 3.5 1238 1074 A 57 HIS HB2 A 58 GLU H 1.0 1.8 3.5 1239 1075 A 57 HIS H A 58 GLU H 1.0 1.8 5.0 1240 1076 A 58 GLU H A 58 GLU HA 1.0 1.8 3.0 1241 1077 A 58 GLU H A 58 GLU HB3 1.0 1.8 4.0 1242 1078 A 58 GLU H A 58 GLU HB2 1.0 1.8 4.0 1243 1079 A 58 GLU H A 58 GLU HG2 1.0 1.8 4.0 1244 1079 A 58 GLU H A 58 GLU HG3 1.0 1.8 4.0 1245 1080 A 58 GLU H A 59 GLN H 1.0 1.8 3.5 1246 1081 A 58 GLU HA A 54 LYS HD3 1.0 1.8 6.0 1247 1081 A 58 GLU HA A 54 LYS HD2 1.0 1.8 6.0 1248 1082 A 58 GLU HA A 84 ALA HB% 1.0 1.8 6.0 1249 1083 A 58 GLU HG2 A 59 GLN HB2 1.0 1.8 5.0 1250 1083 A 58 GLU HG3 A 59 GLN HB2 1.0 1.8 5.0 1251 1083 A 59 GLN HB3 A 58 GLU HG2 1.0 1.8 5.0 1252 1083 A 58 GLU HG3 A 59 GLN HB3 1.0 1.8 5.0 1253 1084 A 19 ALA HB% A 59 GLN H 1.0 1.8 6.0 1254 1085 A 57 HIS HA A 59 GLN H 1.0 1.8 6.0 1255 1086 A 57 HIS HB3 A 59 GLN H 1.0 1.8 6.0 1256 1087 A 57 HIS HB2 A 59 GLN H 1.0 1.8 6.0 1257 1088 A 58 GLU HA A 59 GLN H 1.0 1.8 4.0 1258 1089 A 59 GLN H A 58 GLU HB3 1.0 1.8 4.0 1259 1090 A 59 GLN H A 58 GLU HB2 1.0 1.8 4.0 1260 1091 A 59 GLN H A 59 GLN HA 1.0 1.8 3.0 1261 1092 A 59 GLN H A 59 GLN HB3 1.0 1.8 3.5 1262 1093 A 59 GLN H A 59 GLN HB2 1.0 1.8 3.5 1263 1094 A 59 GLN H A 59 GLN HG3 1.0 1.8 5.0 1264 1095 A 59 GLN H A 59 GLN HG2 1.0 1.8 5.0 1265 1096 A 59 GLN H A 60 ILE H 1.0 1.8 5.0 1266 1097 A 59 GLN H A 84 ALA HB% 1.0 1.8 6.0 1267 1098 A 84 ALA HB% A 59 GLN HA 1.0 1.8 5.5 1268 1099 A 19 ALA HB% A 59 GLN HB3 1.0 1.8 5.5 1269 1100 A 19 ALA HB% A 59 GLN HB2 1.0 1.8 5.5 1270 1101 A 85 GLU HG2 A 59 GLN HG3 1.0 1.8 5.5 1271 1101 A 59 GLN HG3 A 85 GLU HG3 1.0 1.8 5.5 1272 1102 A 85 GLU HG2 A 59 GLN HG2 1.0 1.8 5.5 1273 1102 A 59 GLN HG2 A 85 GLU HG3 1.0 1.8 5.5 1274 1103 A 19 ALA HA A 60 ILE H 1.0 1.8 6.0 1275 1104 A 59 GLN HA A 60 ILE H 1.0 1.8 3.0 1276 1105 A 59 GLN HB3 A 60 ILE H 1.0 1.8 5.0 1277 1106 A 60 ILE H A 59 GLN HB2 1.0 1.8 5.0 1278 1107 A 60 ILE H A 59 GLN HG3 1.0 1.8 5.0 1279 1108 A 60 ILE H A 59 GLN HG2 1.0 1.8 5.0 1280 1109 A 60 ILE HA A 60 ILE H 1.0 1.8 3.0 1281 1110 A 60 ILE H A 60 ILE HB 1.0 1.8 3.0 1282 1111 A 60 ILE H A 60 ILE HG12 1.0 1.8 5.0 1283 1111 A 60 ILE HG13 A 60 ILE H 1.0 1.8 5.0 1284 1112 A 60 ILE HG2% A 60 ILE H 1.0 1.8 6.0 1285 1113 A 60 ILE HD1% A 60 ILE H 1.0 1.8 5.0 1286 1114 A 61 ILE H A 60 ILE H 1.0 1.8 5.0 1287 1115 A 84 ALA HB% A 60 ILE H 1.0 1.8 5.0 1288 1116 A 60 ILE H A 85 GLU H 1.0 1.8 5.0 1289 1117 A 60 ILE H A 86 ILE HA 1.0 1.8 5.0 1290 1118 A 60 ILE H A 87 PHE H 1.0 1.8 6.0 1291 1119 A 60 ILE HG2% A 86 ILE HA 1.0 1.8 6.0 1292 1120 A 61 ILE H A 21 LEU HA 1.0 1.8 3.5 1293 1121 A 61 ILE H A 22 ILE HG12 1.0 1.8 5.0 1294 1121 A 61 ILE H A 22 ILE HG13 1.0 1.8 5.0 1295 1122 A 60 ILE HA A 61 ILE H 1.0 1.8 3.0 1296 1123 A 61 ILE H A 60 ILE HG2% 1.0 1.8 5.0 1297 1124 A 61 ILE H A 60 ILE HD1% 1.0 1.8 6.0 1298 1125 A 61 ILE H A 61 ILE HA 1.0 1.8 3.0 1299 1126 A 61 ILE H A 61 ILE HB 1.0 1.8 3.0 1300 1127 A 61 ILE H A 61 ILE HG12 1.0 1.8 4.0 1301 1127 A 61 ILE H A 61 ILE HG13 1.0 1.8 4.0 1302 1128 A 61 ILE HD1% A 61 ILE H 1.0 1.8 5.0 1303 1129 A 11 ALA HB% A 61 ILE HG2% 1.0 1.8 6.0 1304 1130 A 14 LEU HD1% A 61 ILE HG2% 1.0 1.8 6.0 1305 1131 A 21 LEU HA A 61 ILE HG2% 1.0 1.8 4.5 1306 1132 A 61 ILE HG2% A 21 LEU HB2 1.0 1.8 6.0 1307 1132 A 61 ILE HG2% A 21 LEU HB3 1.0 1.8 6.0 1308 1133 A 87 PHE HB3 A 61 ILE HG2% 1.0 1.8 5.0 1309 1134 A 87 PHE HB2 A 61 ILE HG2% 1.0 1.8 5.0 1310 1135 A 89 LEU HA A 61 ILE HG2% 1.0 1.8 6.0 1311 1136 A 61 ILE HG2% A 89 LEU HB2 1.0 1.8 6.0 1312 1136 A 89 LEU HB3 A 61 ILE HG2% 1.0 1.8 6.0 1313 1137 A 89 LEU HD1% A 61 ILE HG2% 1.0 1.8 6.0 1314 1138 A 89 LEU HD2% A 61 ILE HG2% 1.0 1.8 6.0 1315 1139 A 61 ILE HD1% A 19 ALA HB% 1.0 1.8 4.5 1316 1140 A 61 ILE HD1% A 21 LEU HA 1.0 1.8 5.5 1317 1141 A 60 ILE HG2% A 62 PHE H 1.0 1.8 6.0 1318 1142 A 61 ILE HA A 62 PHE H 1.0 1.8 3.0 1319 1143 A 61 ILE HD1% A 62 PHE H 1.0 1.8 5.0 1320 1144 A 62 PHE HA A 62 PHE H 1.0 1.8 3.0 1321 1145 A 62 PHE HB3 A 62 PHE H 1.0 1.8 4.0 1322 1146 A 62 PHE HB2 A 62 PHE H 1.0 1.8 4.0 1323 1147 A 63 HIS H A 62 PHE H 1.0 1.8 5.0 1324 1148 A 62 PHE H A 86 ILE HG2% 1.0 1.8 5.0 1325 1149 A 62 PHE H A 88 LEU HA 1.0 1.8 4.5 1326 1150 A 62 PHE H A 89 LEU H 1.0 1.8 4.0 1327 1151 A 22 ILE HB A 62 PHE HA 1.0 1.8 4.0 1328 1152 A 22 ILE HD1% A 62 PHE HA 1.0 1.8 6.0 1329 1153 A 62 PHE HA A 24 ILE HG2% 1.0 1.8 6.0 1330 1154 A 22 ILE HB A 63 HIS H 1.0 1.8 4.5 1331 1155 A 22 ILE HG2% A 63 HIS H 1.0 1.8 6.0 1332 1156 A 63 HIS H A 23 ASP HA 1.0 1.8 3.5 1333 1157 A 63 HIS H A 24 ILE HG2% 1.0 1.8 5.0 1334 1158 A 63 HIS H A 24 ILE HD1% 1.0 1.8 6.0 1335 1159 A 62 PHE HA A 63 HIS H 1.0 1.8 3.0 1336 1160 A 63 HIS H A 62 PHE HB3 1.0 1.8 4.5 1337 1161 A 63 HIS H A 62 PHE HB2 1.0 1.8 4.5 1338 1162 A 63 HIS H A 63 HIS HA 1.0 1.8 3.0 1339 1163 A 63 HIS H A 63 HIS HB3 1.0 1.8 4.0 1340 1164 A 63 HIS H A 63 HIS HB2 1.0 1.8 4.0 1341 1165 A 63 HIS H A 64 CYS H 1.0 1.8 5.0 1342 1166 A 63 HIS H A 70 THR HG2% 1.0 1.8 5.0 1343 1167 A 63 HIS HA A 70 THR HG2% 1.0 1.8 6.0 1344 1168 A 89 LEU HB3 A 63 HIS HB3 1.0 1.8 6.0 1345 1168 A 63 HIS HB3 A 89 LEU HB2 1.0 1.8 6.0 1346 1169 A 89 LEU HB3 A 63 HIS HB2 1.0 1.8 6.0 1347 1169 A 63 HIS HB2 A 89 LEU HB2 1.0 1.8 6.0 1348 1170 A 89 LEU HD1% A 63 HIS HB3 1.0 1.8 6.0 1349 1171 A 89 LEU HD1% A 63 HIS HB2 1.0 1.8 6.0 1350 1172 A 63 HIS HA A 64 CYS H 1.0 1.8 3.0 1351 1173 A 64 CYS H A 63 HIS HB3 1.0 1.8 4.0 1352 1174 A 64 CYS H A 63 HIS HB2 1.0 1.8 4.0 1353 1175 A 64 CYS HA A 64 CYS H 1.0 1.8 3.0 1354 1176 A 64 CYS HB3 A 64 CYS H 1.0 1.8 4.0 1355 1177 A 64 CYS HB2 A 64 CYS H 1.0 1.8 4.0 1356 1178 A 64 CYS H A 70 THR HG2% 1.0 1.8 4.5 1357 1179 A 64 CYS HA A 24 ILE HG12 1.0 1.8 6.0 1358 1179 A 24 ILE HG13 A 64 CYS HA 1.0 1.8 6.0 1359 1180 A 64 CYS HA A 69 ARG HB2 1.0 1.8 4.5 1360 1180 A 64 CYS HA A 69 ARG HB3 1.0 1.8 4.5 1361 1181 A 64 CYS HB3 A 69 ARG HB2 1.0 1.8 5.0 1362 1181 A 64 CYS HB3 A 69 ARG HB3 1.0 1.8 5.0 1363 1182 A 64 CYS HB2 A 69 ARG HB2 1.0 1.8 5.0 1364 1182 A 64 CYS HB2 A 69 ARG HB3 1.0 1.8 5.0 1365 1183 A 64 CYS HB3 A 70 THR HG2% 1.0 1.8 6.0 1366 1184 A 64 CYS HB2 A 70 THR HG2% 1.0 1.8 6.0 1367 1185 A 64 CYS HA A 65 GLN H 1.0 1.8 3.0 1368 1186 A 64 CYS HB3 A 65 GLN H 1.0 1.8 4.0 1369 1187 A 64 CYS HB2 A 65 GLN H 1.0 1.8 4.0 1370 1188 A 65 GLN H A 65 GLN HA 1.0 1.8 3.0 1371 1189 A 65 GLN HA A 66 ALA H 1.0 1.8 4.0 1372 1190 A 66 ALA H A 65 GLN HB3 1.0 1.8 4.0 1373 1191 A 66 ALA H A 65 GLN HB2 1.0 1.8 4.0 1374 1192 A 66 ALA H A 65 GLN HG3 1.0 1.8 5.0 1375 1193 A 66 ALA H A 65 GLN HG2 1.0 1.8 5.0 1376 1194 A 65 GLN H A 66 ALA H 1.0 1.8 3.5 1377 1195 A 66 ALA H A 66 ALA HA 1.0 1.8 3.0 1378 1196 A 66 ALA H A 66 ALA HB% 1.0 1.8 3.5 1379 1197 A 66 ALA H A 67 GLY HA2 1.0 1.8 5.0 1380 1197 A 66 ALA H A 67 GLY HA3 1.0 1.8 5.0 1381 1198 A 66 ALA H A 67 GLY H 1.0 1.8 3.0 1382 1199 A 66 ALA H A 68 LYS H 1.0 1.8 4.5 1383 1200 A 66 ALA HA A 94 ASP HB3 1.0 1.8 6.0 1384 1201 A 66 ALA HA A 94 ASP HB2 1.0 1.8 6.0 1385 1202 A 66 ALA HB% A 65 GLN HG3 1.0 1.8 6.0 1386 1203 A 66 ALA HB% A 65 GLN HG2 1.0 1.8 6.0 1387 1204 A 66 ALA HB% A 91 ASP HB2 1.0 1.8 6.0 1388 1204 A 66 ALA HB% A 91 ASP HB3 1.0 1.8 6.0 1389 1205 A 66 ALA HB% A 94 ASP HB3 1.0 1.8 6.0 1390 1206 A 66 ALA HB% A 94 ASP HB2 1.0 1.8 6.0 1391 1207 A 64 CYS H A 67 GLY H 1.0 1.8 5.0 1392 1208 A 67 GLY H A 65 GLN HB2 1.0 1.8 5.0 1393 1208 A 67 GLY H A 65 GLN HB3 1.0 1.8 5.0 1394 1209 A 65 GLN H A 67 GLY H 1.0 1.8 5.0 1395 1210 A 66 ALA HA A 67 GLY H 1.0 1.8 4.0 1396 1211 A 66 ALA HB% A 67 GLY H 1.0 1.8 4.0 1397 1212 A 67 GLY HA3 A 67 GLY H 1.0 1.8 3.0 1398 1213 A 67 GLY H A 67 GLY HA2 1.0 1.8 3.0 1399 1214 A 67 GLY H A 68 LYS H 1.0 1.8 4.5 1400 1215 A 67 GLY H A 91 ASP HA 1.0 1.8 6.0 1401 1216 A 67 GLY H A 92 GLY HA2 1.0 1.8 5.0 1402 1216 A 67 GLY H A 92 GLY HA3 1.0 1.8 5.0 1403 1217 A 67 GLY HA3 A 68 LYS H 1.0 1.8 4.0 1404 1218 A 68 LYS H A 67 GLY HA2 1.0 1.8 4.0 1405 1219 A 68 LYS H A 68 LYS HA 1.0 1.8 3.0 1406 1220 A 68 LYS H A 68 LYS HB2 1.0 1.8 3.0 1407 1220 A 68 LYS H A 68 LYS HB3 1.0 1.8 3.0 1408 1221 A 68 LYS H A 68 LYS HG2 1.0 1.8 5.0 1409 1221 A 68 LYS H A 68 LYS HG3 1.0 1.8 5.0 1410 1222 A 68 LYS H A 69 ARG H 1.0 1.8 3.5 1411 1223 A 65 GLN H A 69 ARG H 1.0 1.8 6.0 1412 1224 A 67 GLY H A 69 ARG H 1.0 1.8 5.0 1413 1225 A 68 LYS HA A 69 ARG H 1.0 1.8 4.0 1414 1226 A 69 ARG H A 69 ARG HA 1.0 1.8 3.0 1415 1227 A 69 ARG HB3 A 69 ARG H 1.0 1.8 4.0 1416 1228 A 69 ARG H A 69 ARG HB2 1.0 1.8 4.0 1417 1229 A 69 ARG HA A 72 ASN HB3 1.0 1.8 5.0 1418 1230 A 69 ARG HA A 72 ASN HB2 1.0 1.8 5.0 1419 1231 A 69 ARG HB3 A 24 ILE HG12 1.0 1.8 5.0 1420 1231 A 24 ILE HG13 A 69 ARG HB3 1.0 1.8 5.0 1421 1232 A 24 ILE HG13 A 69 ARG HB2 1.0 1.8 5.0 1422 1232 A 24 ILE HG12 A 69 ARG HB2 1.0 1.8 5.0 1423 1233 A 24 ILE HD1% A 69 ARG HB3 1.0 1.8 5.0 1424 1234 A 24 ILE HD1% A 69 ARG HB2 1.0 1.8 5.0 1425 1235 A 69 ARG HD3 A 24 ILE HG12 1.0 1.8 6.0 1426 1235 A 24 ILE HG13 A 69 ARG HD3 1.0 1.8 6.0 1427 1236 A 69 ARG HD2 A 24 ILE HG12 1.0 1.8 6.0 1428 1236 A 24 ILE HG13 A 69 ARG HD2 1.0 1.8 6.0 1429 1237 A 24 ILE HD1% A 69 ARG HD3 1.0 1.8 6.0 1430 1238 A 24 ILE HD1% A 69 ARG HD2 1.0 1.8 6.0 1431 1239 A 43 LEU HD2% A 69 ARG HD3 1.0 1.8 6.0 1432 1240 A 43 LEU HD2% A 69 ARG HD2 1.0 1.8 6.0 1433 1241 A 24 ILE HD1% A 70 THR H 1.0 1.8 6.0 1434 1242 A 69 ARG HB3 A 70 THR H 1.0 1.8 5.0 1435 1243 A 70 THR H A 69 ARG HB2 1.0 1.8 5.0 1436 1244 A 69 ARG H A 70 THR H 1.0 1.8 3.0 1437 1245 A 70 THR H A 70 THR HA 1.0 1.8 3.0 1438 1246 A 70 THR H A 70 THR HB 1.0 1.8 3.0 1439 1247 A 70 THR HG2% A 70 THR H 1.0 1.8 5.0 1440 1248 A 70 THR H A 71 SER H 1.0 1.8 3.0 1441 1249 A 24 ILE HD1% A 70 THR HA 1.0 1.8 5.0 1442 1250 A 70 THR HB A 88 LEU HD1% 1.0 1.8 6.0 1443 1251 A 88 LEU HD2% A 70 THR HB 1.0 1.8 6.0 1444 1252 A 24 ILE HD1% A 70 THR HB 1.0 1.8 6.0 1445 1253 A 24 ILE HD1% A 70 THR HG2% 1.0 1.8 6.0 1446 1254 A 70 THR HG2% A 24 ILE HG12 1.0 1.8 6.0 1447 1254 A 24 ILE HG13 A 70 THR HG2% 1.0 1.8 6.0 1448 1255 A 24 ILE HG2% A 70 THR HG2% 1.0 1.8 6.0 1449 1256 A 62 PHE HB3 A 70 THR HG2% 1.0 1.8 5.0 1450 1257 A 62 PHE HB2 A 70 THR HG2% 1.0 1.8 5.0 1451 1258 A 67 GLY HA3 A 71 SER H 1.0 1.8 5.0 1452 1259 A 71 SER H A 67 GLY HA2 1.0 1.8 5.0 1453 1260 A 68 LYS HA A 71 SER H 1.0 1.8 4.0 1454 1261 A 68 LYS H A 71 SER H 1.0 1.8 6.0 1455 1262 A 69 ARG HA A 71 SER H 1.0 1.8 5.0 1456 1263 A 71 SER H A 69 ARG HB2 1.0 1.8 6.0 1457 1263 A 69 ARG HB3 A 71 SER H 1.0 1.8 6.0 1458 1264 A 69 ARG H A 71 SER H 1.0 1.8 5.0 1459 1265 A 70 THR HA A 71 SER H 1.0 1.8 4.0 1460 1266 A 70 THR HB A 71 SER H 1.0 1.8 3.0 1461 1267 A 70 THR HG2% A 71 SER H 1.0 1.8 4.5 1462 1268 A 71 SER H A 71 SER HA 1.0 1.8 3.0 1463 1269 A 71 SER H A 72 ASN H 1.0 1.8 3.0 1464 1270 A 71 SER H A 74 ALA H 1.0 1.8 5.0 1465 1271 A 68 LYS HA A 72 ASN H 1.0 1.8 5.0 1466 1272 A 69 ARG HA A 72 ASN H 1.0 1.8 4.0 1467 1273 A 70 THR HA A 72 ASN H 1.0 1.8 5.0 1468 1274 A 70 THR H A 72 ASN H 1.0 1.8 5.0 1469 1275 A 71 SER HA A 72 ASN H 1.0 1.8 4.0 1470 1276 A 72 ASN H A 71 SER HB2 1.0 1.8 4.0 1471 1276 A 72 ASN H A 71 SER HB3 1.0 1.8 4.0 1472 1277 A 72 ASN H A 72 ASN HA 1.0 1.8 3.0 1473 1278 A 72 ASN HB3 A 72 ASN H 1.0 1.8 4.0 1474 1279 A 72 ASN HB2 A 72 ASN H 1.0 1.8 4.0 1475 1280 A 72 ASN H A 73 ASN HB3 1.0 1.8 6.0 1476 1281 A 72 ASN H A 73 ASN HB2 1.0 1.8 6.0 1477 1282 A 72 ASN H A 73 ASN H 1.0 1.8 3.0 1478 1283 A 72 ASN H A 74 ALA H 1.0 1.8 5.0 1479 1284 A 72 ASN H A 75 ASP H 1.0 1.8 5.5 1480 1285 A 73 ASN H A 43 LEU HD1% 1.0 1.8 5.5 1481 1286 A 43 LEU HD2% A 73 ASN H 1.0 1.8 5.5 1482 1287 A 69 ARG HA A 73 ASN H 1.0 1.8 5.0 1483 1288 A 70 THR HA A 73 ASN H 1.0 1.8 4.0 1484 1289 A 71 SER HA A 73 ASN H 1.0 1.8 5.0 1485 1290 A 72 ASN HA A 73 ASN H 1.0 1.8 4.0 1486 1291 A 72 ASN HB3 A 73 ASN H 1.0 1.8 4.0 1487 1292 A 72 ASN HB2 A 73 ASN H 1.0 1.8 4.0 1488 1293 A 73 ASN H A 73 ASN HA 1.0 1.8 3.0 1489 1294 A 73 ASN HB3 A 73 ASN H 1.0 1.8 3.0 1490 1295 A 73 ASN HB2 A 73 ASN H 1.0 1.8 3.0 1491 1296 A 74 ALA HA A 73 ASN H 1.0 1.8 6.0 1492 1297 A 74 ALA H A 73 ASN H 1.0 1.8 3.0 1493 1298 A 73 ASN H A 75 ASP H 1.0 1.8 5.0 1494 1299 A 77 LEU HD1% A 73 ASN H 1.0 1.8 6.0 1495 1300 A 73 ASN HA A 76 LYS HB2 1.0 1.8 6.0 1496 1300 A 73 ASN HA A 76 LYS HB3 1.0 1.8 6.0 1497 1301 A 73 ASN HA A 76 LYS HG2 1.0 1.8 6.0 1498 1301 A 73 ASN HA A 76 LYS HG3 1.0 1.8 6.0 1499 1302 A 73 ASN HB3 A 43 LEU HD1% 1.0 1.8 6.0 1500 1303 A 73 ASN HB2 A 43 LEU HD1% 1.0 1.8 6.0 1501 1304 A 74 ALA H A 3 LEU HD1% 1.0 1.8 6.0 1502 1304 A 3 LEU HD2% A 74 ALA H 1.0 1.8 6.0 1503 1305 A 70 THR HA A 74 ALA H 1.0 1.8 5.0 1504 1306 A 71 SER HA A 74 ALA H 1.0 1.8 4.0 1505 1307 A 74 ALA H A 72 ASN HA 1.0 1.8 5.0 1506 1308 A 74 ALA H A 73 ASN HA 1.0 1.8 4.0 1507 1309 A 74 ALA H A 73 ASN HB3 1.0 1.8 4.0 1508 1310 A 74 ALA H A 73 ASN HB2 1.0 1.8 4.0 1509 1311 A 74 ALA HA A 74 ALA H 1.0 1.8 3.0 1510 1312 A 74 ALA H A 74 ALA HB% 1.0 1.8 3.0 1511 1313 A 74 ALA H A 75 ASP H 1.0 1.8 3.0 1512 1314 A 74 ALA H A 76 LYS H 1.0 1.8 5.0 1513 1315 A 74 ALA H A 77 LEU H 1.0 1.8 6.0 1514 1316 A 74 ALA H A 77 LEU HG 1.0 1.8 6.0 1515 1317 A 77 LEU HD1% A 74 ALA H 1.0 1.8 6.0 1516 1318 A 74 ALA HA A 77 LEU HB2 1.0 1.8 5.5 1517 1318 A 74 ALA HA A 77 LEU HB3 1.0 1.8 5.5 1518 1319 A 74 ALA HA A 77 LEU HG 1.0 1.8 5.0 1519 1320 A 74 ALA HA A 77 LEU HD1% 1.0 1.8 4.5 1520 1321 A 3 LEU HD2% A 74 ALA HB% 1.0 1.8 5.5 1521 1322 A 71 SER HA A 74 ALA HB% 1.0 1.8 4.5 1522 1323 A 74 ALA HB% A 75 ASP HA 1.0 1.8 5.5 1523 1324 A 77 LEU HD1% A 74 ALA HB% 1.0 1.8 6.0 1524 1325 A 75 ASP H A 3 LEU HD1% 1.0 1.8 6.0 1525 1325 A 3 LEU HD2% A 75 ASP H 1.0 1.8 6.0 1526 1326 A 75 ASP H A 73 ASN HA 1.0 1.8 5.0 1527 1327 A 74 ALA HA A 75 ASP H 1.0 1.8 4.0 1528 1328 A 75 ASP H A 74 ALA HB% 1.0 1.8 4.0 1529 1329 A 75 ASP H A 75 ASP HA 1.0 1.8 3.0 1530 1330 A 75 ASP H A 75 ASP HB2 1.0 1.8 3.5 1531 1330 A 75 ASP H A 75 ASP HB3 1.0 1.8 3.5 1532 1331 A 75 ASP H A 76 LYS HA 1.0 1.8 6.0 1533 1332 A 75 ASP H A 76 LYS HB2 1.0 1.8 6.0 1534 1332 A 75 ASP H A 76 LYS HB3 1.0 1.8 6.0 1535 1333 A 75 ASP H A 76 LYS H 1.0 1.8 3.0 1536 1334 A 75 ASP H A 77 LEU HG 1.0 1.8 6.0 1537 1335 A 75 ASP H A 77 LEU H 1.0 1.8 5.0 1538 1336 A 75 ASP HA A 78 ALA HB% 1.0 1.8 5.0 1539 1337 A 3 LEU HD2% A 75 ASP HA 1.0 1.8 6.0 1540 1338 A 76 LYS H A 43 LEU HD1% 1.0 1.8 6.0 1541 1339 A 73 ASN HA A 76 LYS H 1.0 1.8 4.0 1542 1340 A 74 ALA HA A 76 LYS H 1.0 1.8 5.0 1543 1341 A 76 LYS H A 75 ASP HA 1.0 1.8 4.0 1544 1342 A 76 LYS H A 75 ASP HB2 1.0 1.8 3.5 1545 1342 A 76 LYS H A 75 ASP HB3 1.0 1.8 3.5 1546 1343 A 76 LYS H A 76 LYS HA 1.0 1.8 3.0 1547 1344 A 76 LYS H A 76 LYS HB2 1.0 1.8 3.5 1548 1344 A 76 LYS HB3 A 76 LYS H 1.0 1.8 3.5 1549 1345 A 76 LYS H A 76 LYS HG2 1.0 1.8 3.5 1550 1345 A 76 LYS HG3 A 76 LYS H 1.0 1.8 3.5 1551 1346 A 76 LYS H A 76 LYS HD2 1.0 1.8 5.0 1552 1346 A 76 LYS HD3 A 76 LYS H 1.0 1.8 5.0 1553 1347 A 76 LYS H A 77 LEU H 1.0 1.8 3.0 1554 1348 A 76 LYS H A 78 ALA H 1.0 1.8 5.0 1555 1349 A 77 LEU HG A 76 LYS HA 1.0 1.8 6.0 1556 1350 A 76 LYS HA A 79 ALA HB% 1.0 1.8 5.0 1557 1351 A 73 ASN HA A 77 LEU H 1.0 1.8 5.0 1558 1352 A 74 ALA HA A 77 LEU H 1.0 1.8 4.0 1559 1353 A 77 LEU H A 75 ASP HA 1.0 1.8 5.0 1560 1354 A 77 LEU H A 76 LYS HA 1.0 1.8 4.0 1561 1355 A 77 LEU H A 76 LYS HB2 1.0 1.8 4.0 1562 1355 A 76 LYS HB3 A 77 LEU H 1.0 1.8 4.0 1563 1356 A 77 LEU H A 76 LYS HG2 1.0 1.8 6.0 1564 1356 A 76 LYS HG3 A 77 LEU H 1.0 1.8 6.0 1565 1357 A 77 LEU H A 76 LYS HD2 1.0 1.8 6.0 1566 1357 A 76 LYS HD3 A 77 LEU H 1.0 1.8 6.0 1567 1358 A 77 LEU H A 77 LEU HA 1.0 1.8 3.0 1568 1359 A 77 LEU H A 77 LEU HB3 1.0 1.8 4.0 1569 1360 A 77 LEU H A 77 LEU HB2 1.0 1.8 4.0 1570 1361 A 77 LEU H A 77 LEU HG 1.0 1.8 3.5 1571 1362 A 77 LEU HD1% A 77 LEU H 1.0 1.8 4.5 1572 1363 A 77 LEU HD2% A 77 LEU H 1.0 1.8 4.5 1573 1364 A 77 LEU H A 78 ALA H 1.0 1.8 3.0 1574 1365 A 77 LEU H A 79 ALA H 1.0 1.8 5.0 1575 1366 A 77 LEU HA A 80 ILE HG13 1.0 1.8 4.0 1576 1366 A 80 ILE HG12 A 77 LEU HA 1.0 1.8 4.0 1577 1367 A 80 ILE HG2% A 77 LEU HA 1.0 1.8 6.0 1578 1368 A 80 ILE HD1% A 77 LEU HA 1.0 1.8 5.0 1579 1369 A 74 ALA HA A 77 LEU HD2% 1.0 1.8 6.0 1580 1370 A 77 LEU HD2% A 80 ILE HG13 1.0 1.8 6.0 1581 1371 A 77 LEU HD2% A 80 ILE HG12 1.0 1.8 6.0 1582 1372 A 77 LEU HD2% A 80 ILE HD1% 1.0 1.8 6.0 1583 1373 A 77 LEU HD2% A 86 ILE HG2% 1.0 1.8 6.0 1584 1374 A 78 ALA H A 3 LEU HD1% 1.0 1.8 6.0 1585 1374 A 3 LEU HD2% A 78 ALA H 1.0 1.8 6.0 1586 1375 A 74 ALA HA A 78 ALA H 1.0 1.8 5.0 1587 1376 A 75 ASP HA A 78 ALA H 1.0 1.8 4.0 1588 1377 A 76 LYS HA A 78 ALA H 1.0 1.8 5.0 1589 1378 A 78 ALA H A 77 LEU HA 1.0 1.8 4.0 1590 1379 A 77 LEU HB3 A 78 ALA H 1.0 1.8 3.5 1591 1380 A 78 ALA H A 77 LEU HB2 1.0 1.8 3.5 1592 1381 A 77 LEU HG A 78 ALA H 1.0 1.8 5.0 1593 1382 A 77 LEU HD1% A 78 ALA H 1.0 1.8 6.0 1594 1383 A 77 LEU HD2% A 78 ALA H 1.0 1.8 6.0 1595 1384 A 78 ALA H A 78 ALA HA 1.0 1.8 3.0 1596 1385 A 78 ALA HB% A 78 ALA H 1.0 1.8 3.0 1597 1386 A 78 ALA H A 79 ALA H 1.0 1.8 3.0 1598 1387 A 78 ALA H A 80 ILE H 1.0 1.8 5.0 1599 1388 A 78 ALA H A 86 ILE HB 1.0 1.8 6.0 1600 1389 A 86 ILE HG2% A 78 ALA H 1.0 1.8 6.0 1601 1390 A 86 ILE HD1% A 78 ALA HA 1.0 1.8 4.5 1602 1391 A 86 ILE HG2% A 78 ALA HA 1.0 1.8 6.0 1603 1392 A 1 MET HB3 A 78 ALA HB% 1.0 1.8 5.0 1604 1393 A 1 MET HB2 A 78 ALA HB% 1.0 1.8 5.0 1605 1394 A 3 LEU HD2% A 78 ALA HB% 1.0 1.8 6.0 1606 1395 A 75 ASP HA A 79 ALA H 1.0 1.8 5.0 1607 1396 A 76 LYS HA A 79 ALA H 1.0 1.8 4.0 1608 1397 A 79 ALA H A 76 LYS HD2 1.0 1.8 6.0 1609 1397 A 76 LYS HD3 A 79 ALA H 1.0 1.8 6.0 1610 1398 A 77 LEU HA A 79 ALA H 1.0 1.8 5.0 1611 1399 A 79 ALA H A 78 ALA HA 1.0 1.8 4.0 1612 1400 A 78 ALA HB% A 79 ALA H 1.0 1.8 4.0 1613 1401 A 79 ALA H A 79 ALA HA 1.0 1.8 3.0 1614 1402 A 79 ALA HB% A 79 ALA H 1.0 1.8 3.5 1615 1403 A 79 ALA H A 80 ILE HA 1.0 1.8 6.0 1616 1404 A 79 ALA H A 80 ILE HG13 1.0 1.8 6.0 1617 1404 A 80 ILE HG12 A 79 ALA H 1.0 1.8 6.0 1618 1405 A 80 ILE HG2% A 79 ALA H 1.0 1.8 6.0 1619 1406 A 80 ILE HD1% A 79 ALA H 1.0 1.8 6.0 1620 1407 A 79 ALA H A 80 ILE H 1.0 1.8 3.0 1621 1408 A 79 ALA H A 81 ALA H 1.0 1.8 5.0 1622 1409 A 76 LYS HA A 80 ILE H 1.0 1.8 5.0 1623 1410 A 77 LEU HA A 80 ILE H 1.0 1.8 4.0 1624 1411 A 77 LEU HD2% A 80 ILE H 1.0 1.8 6.0 1625 1412 A 78 ALA HA A 80 ILE H 1.0 1.8 5.0 1626 1413 A 80 ILE H A 79 ALA HA 1.0 1.8 4.0 1627 1414 A 79 ALA HB% A 80 ILE H 1.0 1.8 4.0 1628 1415 A 80 ILE H A 80 ILE HA 1.0 1.8 3.0 1629 1416 A 80 ILE H A 80 ILE HB 1.0 1.8 3.5 1630 1417 A 80 ILE H A 80 ILE HG13 1.0 1.8 4.0 1631 1417 A 80 ILE HG12 A 80 ILE H 1.0 1.8 4.0 1632 1418 A 80 ILE HD1% A 80 ILE H 1.0 1.8 5.5 1633 1419 A 80 ILE H A 81 ALA H 1.0 1.8 3.0 1634 1420 A 79 ALA HB% A 80 ILE HA 1.0 1.8 5.0 1635 1421 A 77 LEU HA A 80 ILE HB 1.0 1.8 5.5 1636 1422 A 77 LEU HD2% A 80 ILE HB 1.0 1.8 6.0 1637 1423 A 80 ILE HG2% A 50 GLY HA2 1.0 1.8 6.0 1638 1423 A 50 GLY HA3 A 80 ILE HG2% 1.0 1.8 6.0 1639 1424 A 80 ILE HG2% A 52 PRO HG2 1.0 1.8 5.0 1640 1424 A 80 ILE HG2% A 52 PRO HG3 1.0 1.8 5.0 1641 1425 A 80 ILE HG2% A 55 LEU HD1% 1.0 1.8 6.0 1642 1426 A 80 ILE HG2% A 81 ALA HA 1.0 1.8 6.0 1643 1427 A 80 ILE HD1% A 76 LYS HA 1.0 1.8 6.0 1644 1428 A 80 ILE HD1% A 52 PRO HG2 1.0 1.8 5.0 1645 1428 A 80 ILE HD1% A 52 PRO HG3 1.0 1.8 5.0 1646 1429 A 80 ILE HD1% A 46 LEU HD1% 1.0 1.8 6.0 1647 1430 A 46 LEU HD2% A 80 ILE HD1% 1.0 1.8 6.0 1648 1431 A 81 ALA H A 54 LYS HD3 1.0 1.8 5.0 1649 1432 A 54 LYS HD2 A 81 ALA H 1.0 1.8 5.0 1650 1433 A 77 LEU HA A 81 ALA H 1.0 1.8 5.0 1651 1434 A 77 LEU HD2% A 81 ALA H 1.0 1.8 6.0 1652 1435 A 78 ALA HA A 81 ALA H 1.0 1.8 4.0 1653 1436 A 78 ALA HB% A 81 ALA H 1.0 1.8 6.0 1654 1437 A 78 ALA H A 81 ALA H 1.0 1.8 6.0 1655 1438 A 79 ALA HA A 81 ALA H 1.0 1.8 5.0 1656 1439 A 80 ILE HA A 81 ALA H 1.0 1.8 4.0 1657 1440 A 81 ALA H A 80 ILE HB 1.0 1.8 3.5 1658 1441 A 81 ALA H A 80 ILE HG13 1.0 1.8 5.5 1659 1442 A 80 ILE HG12 A 81 ALA H 1.0 1.8 5.5 1660 1443 A 80 ILE HG2% A 81 ALA H 1.0 1.8 4.5 1661 1444 A 80 ILE HD1% A 81 ALA H 1.0 1.8 6.0 1662 1445 A 81 ALA H A 81 ALA HA 1.0 1.8 3.0 1663 1446 A 81 ALA H A 81 ALA HB% 1.0 1.8 3.5 1664 1447 A 81 ALA H A 82 ALA H 1.0 1.8 4.0 1665 1448 A 86 ILE HD1% A 81 ALA HA 1.0 1.8 6.0 1666 1449 A 60 ILE HB A 81 ALA HB% 1.0 1.8 6.0 1667 1450 A 60 ILE HG2% A 81 ALA HB% 1.0 1.8 6.0 1668 1451 A 77 LEU HD2% A 81 ALA HB% 1.0 1.8 6.0 1669 1452 A 78 ALA HA A 81 ALA HB% 1.0 1.8 5.0 1670 1453 A 81 ALA HB% A 80 ILE HG13 1.0 1.8 6.0 1671 1453 A 80 ILE HG12 A 81 ALA HB% 1.0 1.8 6.0 1672 1454 A 84 ALA HB% A 81 ALA HB% 1.0 1.8 6.0 1673 1455 A 86 ILE HB A 81 ALA HB% 1.0 1.8 6.0 1674 1456 A 86 ILE HG2% A 81 ALA HB% 1.0 1.8 5.0 1675 1457 A 86 ILE HD1% A 81 ALA HB% 1.0 1.8 5.0 1676 1458 A 78 ALA HA A 82 ALA H 1.0 1.8 6.0 1677 1459 A 79 ALA HA A 82 ALA H 1.0 1.8 6.0 1678 1460 A 80 ILE HA A 82 ALA H 1.0 1.8 6.0 1679 1461 A 80 ILE HG2% A 82 ALA H 1.0 1.8 6.0 1680 1462 A 81 ALA HA A 82 ALA H 1.0 1.8 3.5 1681 1463 A 81 ALA HB% A 82 ALA H 1.0 1.8 4.5 1682 1464 A 82 ALA H A 82 ALA HA 1.0 1.8 3.0 1683 1465 A 82 ALA H A 82 ALA HB% 1.0 1.8 3.5 1684 1466 A 82 ALA H A 83 PRO HA 1.0 1.8 6.0 1685 1467 A 82 ALA H A 84 ALA H 1.0 1.8 6.0 1686 1468 A 82 ALA HA A 83 PRO HA 1.0 1.8 4.5 1687 1469 A 82 ALA HB% A 83 PRO HA 1.0 1.8 5.5 1688 1470 A 82 ALA HB% A 83 PRO HB3 1.0 1.8 5.0 1689 1471 A 82 ALA HB% A 83 PRO HB2 1.0 1.8 5.0 1690 1472 A 79 ALA HA A 82 ALA HB% 1.0 1.8 6.0 1691 1473 A 82 ALA HA A 83 PRO HB3 1.0 1.8 5.5 1692 1474 A 82 ALA HA A 83 PRO HB2 1.0 1.8 5.5 1693 1475 A 60 ILE HD1% A 84 ALA H 1.0 1.8 6.0 1694 1476 A 81 ALA HB% A 84 ALA H 1.0 1.8 5.5 1695 1477 A 82 ALA HA A 84 ALA H 1.0 1.8 4.5 1696 1478 A 82 ALA HB% A 84 ALA H 1.0 1.8 5.5 1697 1479 A 83 PRO HA A 84 ALA H 1.0 1.8 4.0 1698 1480 A 84 ALA H A 83 PRO HB3 1.0 1.8 5.0 1699 1481 A 84 ALA H A 83 PRO HB2 1.0 1.8 5.0 1700 1482 A 84 ALA H A 83 PRO HG3 1.0 1.8 6.0 1701 1483 A 84 ALA H A 83 PRO HG2 1.0 1.8 6.0 1702 1484 A 84 ALA H A 83 PRO HD3 1.0 1.8 6.0 1703 1485 A 84 ALA H A 83 PRO HD2 1.0 1.8 6.0 1704 1486 A 84 ALA H A 84 ALA HA 1.0 1.8 3.0 1705 1487 A 84 ALA HB% A 84 ALA H 1.0 1.8 3.0 1706 1488 A 85 GLU H A 84 ALA H 1.0 1.8 5.0 1707 1489 A 58 GLU HA A 84 ALA HA 1.0 1.8 6.0 1708 1490 A 84 ALA HA A 58 GLU HG2 1.0 1.8 6.0 1709 1490 A 58 GLU HG3 A 84 ALA HA 1.0 1.8 6.0 1710 1491 A 84 ALA HA A 85 GLU HB3 1.0 1.8 6.0 1711 1492 A 84 ALA HA A 85 GLU HB2 1.0 1.8 6.0 1712 1493 A 86 ILE HD1% A 84 ALA HA 1.0 1.8 6.0 1713 1494 A 84 ALA HB% A 60 ILE HB 1.0 1.8 6.0 1714 1495 A 60 ILE HG2% A 84 ALA HB% 1.0 1.8 6.0 1715 1496 A 60 ILE HD1% A 84 ALA HB% 1.0 1.8 6.0 1716 1497 A 85 GLU HA A 84 ALA HB% 1.0 1.8 6.0 1717 1498 A 84 ALA HB% A 86 ILE HA 1.0 1.8 6.0 1718 1499 A 85 GLU H A 58 GLU HB3 1.0 1.8 6.0 1719 1499 A 85 GLU H A 58 GLU HB2 1.0 1.8 6.0 1720 1500 A 85 GLU H A 58 GLU HG2 1.0 1.8 6.0 1721 1500 A 58 GLU HG3 A 85 GLU H 1.0 1.8 6.0 1722 1501 A 59 GLN HA A 85 GLU H 1.0 1.8 4.5 1723 1502 A 85 GLU H A 59 GLN HB2 1.0 1.8 6.0 1724 1502 A 59 GLN HB3 A 85 GLU H 1.0 1.8 6.0 1725 1503 A 85 GLU H A 59 GLN HG3 1.0 1.8 6.0 1726 1504 A 85 GLU H A 59 GLN HG2 1.0 1.8 6.0 1727 1505 A 60 ILE HD1% A 85 GLU H 1.0 1.8 6.0 1728 1506 A 85 GLU H A 84 ALA HA 1.0 1.8 3.0 1729 1507 A 84 ALA HB% A 85 GLU H 1.0 1.8 4.0 1730 1508 A 85 GLU HA A 85 GLU H 1.0 1.8 3.0 1731 1509 A 85 GLU H A 85 GLU HB3 1.0 1.8 4.0 1732 1510 A 85 GLU H A 85 GLU HB2 1.0 1.8 4.0 1733 1511 A 85 GLU H A 85 GLU HG3 1.0 1.8 4.0 1734 1512 A 85 GLU HG2 A 85 GLU H 1.0 1.8 4.0 1735 1513 A 85 GLU H A 86 ILE H 1.0 1.8 5.0 1736 1514 A 59 GLN HA A 85 GLU HB3 1.0 1.8 5.0 1737 1515 A 59 GLN HA A 85 GLU HB2 1.0 1.8 5.0 1738 1516 A 85 GLU HB3 A 59 GLN HG2 1.0 1.8 5.0 1739 1516 A 85 GLU HB3 A 59 GLN HG3 1.0 1.8 5.0 1740 1517 A 85 GLU HB2 A 59 GLN HG2 1.0 1.8 5.0 1741 1517 A 85 GLU HB2 A 59 GLN HG3 1.0 1.8 5.0 1742 1518 A 59 GLN HA A 85 GLU HG3 1.0 1.8 6.0 1743 1519 A 59 GLN HA A 85 GLU HG2 1.0 1.8 6.0 1744 1520 A 2 ALA HB% A 86 ILE H 1.0 1.8 6.0 1745 1521 A 3 LEU HA A 86 ILE H 1.0 1.8 3.5 1746 1522 A 86 ILE H A 3 LEU HB2 1.0 1.8 4.5 1747 1522 A 3 LEU HB3 A 86 ILE H 1.0 1.8 4.5 1748 1523 A 4 THR HB A 86 ILE H 1.0 1.8 6.0 1749 1524 A 4 THR H A 86 ILE H 1.0 1.8 6.0 1750 1525 A 85 GLU HA A 86 ILE H 1.0 1.8 3.0 1751 1526 A 86 ILE HA A 86 ILE H 1.0 1.8 3.0 1752 1527 A 86 ILE HB A 86 ILE H 1.0 1.8 3.5 1753 1528 A 86 ILE H A 86 ILE HG13 1.0 1.8 4.0 1754 1528 A 86 ILE HG12 A 86 ILE H 1.0 1.8 4.0 1755 1529 A 86 ILE HG2% A 86 ILE H 1.0 1.8 5.0 1756 1530 A 86 ILE HD1% A 86 ILE H 1.0 1.8 5.0 1757 1531 A 87 PHE H A 86 ILE H 1.0 1.8 5.0 1758 1532 A 60 ILE HB A 86 ILE HA 1.0 1.8 4.5 1759 1533 A 86 ILE HB A 3 LEU HB2 1.0 1.8 4.5 1760 1533 A 3 LEU HB3 A 86 ILE HB 1.0 1.8 4.5 1761 1534 A 84 ALA HB% A 86 ILE HG13 1.0 1.8 5.0 1762 1535 A 86 ILE HG12 A 84 ALA HB% 1.0 1.8 5.0 1763 1536 A 86 ILE HG2% A 81 ALA HA 1.0 1.8 6.0 1764 1537 A 3 LEU HB3 A 86 ILE HG2% 1.0 1.8 6.0 1765 1538 A 86 ILE HG2% A 3 LEU HB2 1.0 1.8 6.0 1766 1539 A 60 ILE HB A 86 ILE HG2% 1.0 1.8 5.0 1767 1540 A 60 ILE HD1% A 86 ILE HG2% 1.0 1.8 4.5 1768 1541 A 60 ILE HG2% A 86 ILE HG2% 1.0 1.8 5.5 1769 1542 A 84 ALA HB% A 86 ILE HG2% 1.0 1.8 6.0 1770 1543 A 86 ILE HD1% A 3 LEU HB3 1.0 1.8 5.0 1771 1544 A 86 ILE HD1% A 3 LEU HB2 1.0 1.8 5.0 1772 1545 A 86 ILE HD1% A 60 ILE HB 1.0 1.8 6.0 1773 1546 A 86 ILE HD1% A 60 ILE HG2% 1.0 1.8 6.0 1774 1547 A 86 ILE HD1% A 84 ALA HB% 1.0 1.8 6.0 1775 1548 A 60 ILE HB A 87 PHE H 1.0 1.8 6.0 1776 1549 A 60 ILE HG2% A 87 PHE H 1.0 1.8 6.0 1777 1550 A 61 ILE HA A 87 PHE H 1.0 1.8 4.0 1778 1551 A 61 ILE HD1% A 87 PHE H 1.0 1.8 5.0 1779 1552 A 87 PHE H A 62 PHE H 1.0 1.8 5.5 1780 1553 A 86 ILE HA A 87 PHE H 1.0 1.8 3.0 1781 1554 A 87 PHE H A 86 ILE HB 1.0 1.8 4.0 1782 1555 A 87 PHE H A 86 ILE HG13 1.0 1.8 5.5 1783 1555 A 86 ILE HG12 A 87 PHE H 1.0 1.8 5.5 1784 1556 A 87 PHE H A 86 ILE HG2% 1.0 1.8 3.5 1785 1557 A 86 ILE HD1% A 87 PHE H 1.0 1.8 5.0 1786 1558 A 87 PHE HA A 87 PHE H 1.0 1.8 3.0 1787 1559 A 87 PHE HB3 A 87 PHE H 1.0 1.8 4.0 1788 1560 A 87 PHE HB2 A 87 PHE H 1.0 1.8 4.0 1789 1561 A 87 PHE HD1 A 87 PHE H 1.0 1.8 4.5 1790 1561 A 87 PHE H A 87 PHE HD2 1.0 1.8 4.5 1791 1562 A 3 LEU HA A 88 LEU H 1.0 1.8 6.0 1792 1563 A 4 THR HB A 88 LEU H 1.0 1.8 5.0 1793 1564 A 4 THR HG2% A 88 LEU H 1.0 1.8 5.0 1794 1565 A 5 THR HA A 88 LEU H 1.0 1.8 3.0 1795 1566 A 88 LEU H A 5 THR HG2% 1.0 1.8 5.5 1796 1567 A 5 THR H A 88 LEU H 1.0 1.8 6.0 1797 1568 A 88 LEU H A 6 ILE HG13 1.0 1.8 4.5 1798 1568 A 88 LEU H A 6 ILE HG12 1.0 1.8 4.5 1799 1569 A 88 LEU H A 6 ILE HG2% 1.0 1.8 4.5 1800 1570 A 88 LEU H A 6 ILE HD1% 1.0 1.8 6.0 1801 1571 A 88 LEU H A 61 ILE HD1% 1.0 1.8 6.0 1802 1572 A 87 PHE HA A 88 LEU H 1.0 1.8 3.0 1803 1573 A 88 LEU H A 87 PHE HB3 1.0 1.8 4.0 1804 1574 A 88 LEU H A 87 PHE HB2 1.0 1.8 4.0 1805 1575 A 87 PHE HD1 A 88 LEU H 1.0 1.8 6.0 1806 1575 A 88 LEU H A 87 PHE HD2 1.0 1.8 6.0 1807 1576 A 88 LEU H A 88 LEU HA 1.0 1.8 3.0 1808 1577 A 88 LEU H A 88 LEU HB3 1.0 1.8 4.0 1809 1578 A 88 LEU H A 88 LEU HB2 1.0 1.8 4.0 1810 1579 A 88 LEU H A 88 LEU HG 1.0 1.8 4.5 1811 1580 A 88 LEU H A 88 LEU HD1% 1.0 1.8 6.0 1812 1580 A 88 LEU H A 88 LEU HD2% 1.0 1.8 6.0 1813 1581 A 61 ILE HG2% A 88 LEU HA 1.0 1.8 6.0 1814 1582 A 71 SER HA A 88 LEU HD1% 1.0 1.8 6.0 1815 1583 A 74 ALA HB% A 88 LEU HD1% 1.0 1.8 6.0 1816 1584 A 88 LEU HD2% A 62 PHE HB3 1.0 1.8 6.0 1817 1585 A 88 LEU HD2% A 62 PHE HB2 1.0 1.8 6.0 1818 1586 A 61 ILE HD1% A 89 LEU H 1.0 1.8 6.0 1819 1587 A 89 LEU H A 63 HIS HA 1.0 1.8 5.0 1820 1588 A 89 LEU H A 63 HIS HB3 1.0 1.8 6.0 1821 1589 A 89 LEU H A 63 HIS HB2 1.0 1.8 6.0 1822 1590 A 89 LEU H A 70 THR HG2% 1.0 1.8 4.5 1823 1591 A 88 LEU HA A 89 LEU H 1.0 1.8 3.0 1824 1592 A 88 LEU HB3 A 89 LEU H 1.0 1.8 5.0 1825 1593 A 89 LEU H A 88 LEU HB2 1.0 1.8 5.0 1826 1594 A 88 LEU H A 89 LEU H 1.0 1.8 5.0 1827 1595 A 89 LEU HA A 89 LEU H 1.0 1.8 3.0 1828 1596 A 89 LEU HB3 A 89 LEU H 1.0 1.8 4.0 1829 1597 A 89 LEU H A 89 LEU HB2 1.0 1.8 4.0 1830 1598 A 89 LEU H A 89 LEU HG 1.0 1.8 5.0 1831 1599 A 89 LEU HD1% A 89 LEU H 1.0 1.8 6.0 1832 1600 A 89 LEU HD2% A 89 LEU H 1.0 1.8 6.0 1833 1601 A 90 GLU H A 89 LEU H 1.0 1.8 6.0 1834 1602 A 89 LEU HD1% A 8 PRO HB3 1.0 1.8 6.0 1835 1603 A 89 LEU HD1% A 8 PRO HB2 1.0 1.8 6.0 1836 1604 A 89 LEU HD1% A 63 HIS HB3 1.0 1.8 6.0 1837 1605 A 89 LEU HD1% A 63 HIS HB2 1.0 1.8 6.0 1838 1606 A 89 LEU HD1% A 95 GLY HA3 1.0 1.8 6.0 1839 1607 A 89 LEU HD1% A 95 GLY HA2 1.0 1.8 6.0 1840 1608 A 5 THR HG2% A 90 GLU H 1.0 1.8 5.0 1841 1609 A 90 GLU H A 7 SER HA 1.0 1.8 5.0 1842 1610 A 89 LEU HA A 90 GLU H 1.0 1.8 3.0 1843 1611 A 90 GLU H A 89 LEU HD2% 1.0 1.8 4.0 1844 1612 A 90 GLU HA A 90 GLU H 1.0 1.8 3.0 1845 1613 A 90 GLU H A 90 GLU HB3 1.0 1.8 3.5 1846 1614 A 90 GLU HB2 A 90 GLU H 1.0 1.8 3.5 1847 1615 A 90 GLU H A 90 GLU HG3 1.0 1.8 5.0 1848 1615 A 90 GLU HG2 A 90 GLU H 1.0 1.8 5.0 1849 1616 A 90 GLU H A 91 ASP H 1.0 1.8 5.0 1850 1617 A 5 THR HG2% A 90 GLU HB3 1.0 1.8 6.0 1851 1618 A 5 THR HG2% A 90 GLU HB2 1.0 1.8 6.0 1852 1619 A 5 THR HG2% A 90 GLU HG3 1.0 1.8 6.0 1853 1620 A 5 THR HG2% A 90 GLU HG2 1.0 1.8 6.0 1854 1621 A 5 THR HG2% A 91 ASP H 1.0 1.8 6.0 1855 1622 A 91 ASP H A 67 GLY HA2 1.0 1.8 4.5 1856 1622 A 67 GLY HA3 A 91 ASP H 1.0 1.8 4.5 1857 1623 A 90 GLU HA A 91 ASP H 1.0 1.8 3.0 1858 1624 A 91 ASP H A 90 GLU HB3 1.0 1.8 5.0 1859 1625 A 90 GLU HB2 A 91 ASP H 1.0 1.8 5.0 1860 1626 A 91 ASP H A 90 GLU HG3 1.0 1.8 4.0 1861 1626 A 90 GLU HG2 A 91 ASP H 1.0 1.8 4.0 1862 1627 A 91 ASP HA A 91 ASP H 1.0 1.8 3.0 1863 1628 A 91 ASP H A 91 ASP HB2 1.0 1.8 4.0 1864 1628 A 91 ASP HB3 A 91 ASP H 1.0 1.8 4.0 1865 1629 A 91 ASP H A 92 GLY HA2 1.0 1.8 5.0 1866 1629 A 92 GLY HA3 A 91 ASP H 1.0 1.8 5.0 1867 1630 A 91 ASP H A 92 GLY H 1.0 1.8 3.5 1868 1631 A 92 GLY H A 63 HIS HB3 1.0 1.8 6.0 1869 1631 A 92 GLY H A 63 HIS HB2 1.0 1.8 6.0 1870 1632 A 92 GLY H A 89 LEU HB2 1.0 1.8 5.0 1871 1632 A 89 LEU HB3 A 92 GLY H 1.0 1.8 5.0 1872 1633 A 89 LEU HG A 92 GLY H 1.0 1.8 4.0 1873 1634 A 89 LEU HD1% A 92 GLY H 1.0 1.8 5.0 1874 1635 A 90 GLU HA A 92 GLY H 1.0 1.8 4.5 1875 1636 A 91 ASP HA A 92 GLY H 1.0 1.8 4.5 1876 1637 A 92 GLY H A 91 ASP HB2 1.0 1.8 5.0 1877 1637 A 91 ASP HB3 A 92 GLY H 1.0 1.8 5.0 1878 1638 A 92 GLY H A 92 GLY HA2 1.0 1.8 3.0 1879 1638 A 92 GLY HA3 A 92 GLY H 1.0 1.8 3.0 1880 1639 A 92 GLY H A 93 ILE H 1.0 1.8 5.0 1881 1640 A 35 ILE HD1% A 93 ILE H 1.0 1.8 6.0 1882 1641 A 93 ILE H A 63 HIS HB3 1.0 1.8 5.0 1883 1641 A 63 HIS HB2 A 93 ILE H 1.0 1.8 5.0 1884 1642 A 66 ALA HA A 93 ILE H 1.0 1.8 5.5 1885 1643 A 93 ILE H A 92 GLY HA2 1.0 1.8 3.0 1886 1643 A 92 GLY HA3 A 93 ILE H 1.0 1.8 3.0 1887 1644 A 93 ILE HA A 93 ILE H 1.0 1.8 3.0 1888 1645 A 93 ILE H A 93 ILE HB 1.0 1.8 3.0 1889 1646 A 93 ILE HG2% A 93 ILE H 1.0 1.8 4.0 1890 1647 A 93 ILE HD1% A 93 ILE H 1.0 1.8 6.0 1891 1648 A 93 ILE H A 94 ASP H 1.0 1.8 3.0 1892 1649 A 93 ILE HA A 96 TRP HB3 1.0 1.8 4.0 1893 1650 A 93 ILE HA A 96 TRP HB2 1.0 1.8 4.0 1894 1651 A 89 LEU HD1% A 93 ILE HA 1.0 1.8 6.0 1895 1652 A 35 ILE HD1% A 93 ILE HB 1.0 1.8 6.0 1896 1653 A 35 ILE HD1% A 93 ILE HG12 1.0 1.8 6.0 1897 1653 A 35 ILE HD1% A 93 ILE HG13 1.0 1.8 6.0 1898 1654 A 93 ILE HG2% A 65 GLN HA 1.0 1.8 6.0 1899 1655 A 93 ILE HG2% A 65 GLN HG2 1.0 1.8 6.0 1900 1655 A 93 ILE HG2% A 65 GLN HG3 1.0 1.8 6.0 1901 1656 A 93 ILE HG2% A 96 TRP HB2 1.0 1.8 6.0 1902 1656 A 93 ILE HG2% A 96 TRP HB3 1.0 1.8 6.0 1903 1657 A 93 ILE HD1% A 33 GLU HG3 1.0 1.8 5.5 1904 1658 A 33 GLU HG2 A 93 ILE HD1% 1.0 1.8 5.5 1905 1659 A 35 ILE HA A 93 ILE HD1% 1.0 1.8 6.0 1906 1660 A 93 ILE HD1% A 103 VAL HA 1.0 1.8 5.0 1907 1661 A 65 GLN HA A 94 ASP H 1.0 1.8 5.0 1908 1662 A 66 ALA HA A 94 ASP H 1.0 1.8 4.5 1909 1663 A 94 ASP H A 92 GLY HA2 1.0 1.8 4.5 1910 1663 A 92 GLY HA3 A 94 ASP H 1.0 1.8 4.5 1911 1664 A 93 ILE HA A 94 ASP H 1.0 1.8 4.0 1912 1665 A 93 ILE HB A 94 ASP H 1.0 1.8 4.5 1913 1666 A 93 ILE HG2% A 94 ASP H 1.0 1.8 4.0 1914 1667 A 93 ILE HD1% A 94 ASP H 1.0 1.8 6.0 1915 1668 A 94 ASP H A 94 ASP HA 1.0 1.8 3.0 1916 1669 A 94 ASP HB3 A 94 ASP H 1.0 1.8 4.0 1917 1670 A 94 ASP HB2 A 94 ASP H 1.0 1.8 4.0 1918 1671 A 94 ASP HA A 97 LYS HB2 1.0 1.8 4.5 1919 1671 A 94 ASP HA A 97 LYS HB3 1.0 1.8 4.5 1920 1672 A 91 ASP HA A 95 GLY H 1.0 1.8 6.0 1921 1673 A 95 GLY H A 91 ASP HB2 1.0 1.8 4.5 1922 1673 A 91 ASP HB3 A 95 GLY H 1.0 1.8 4.5 1923 1674 A 95 GLY H A 92 GLY HA2 1.0 1.8 5.5 1924 1674 A 92 GLY HA3 A 95 GLY H 1.0 1.8 5.5 1925 1675 A 92 GLY H A 95 GLY H 1.0 1.8 5.0 1926 1676 A 93 ILE HA A 95 GLY H 1.0 1.8 5.0 1927 1677 A 94 ASP HA A 95 GLY H 1.0 1.8 4.0 1928 1678 A 94 ASP HB3 A 95 GLY H 1.0 1.8 4.0 1929 1679 A 94 ASP HB2 A 95 GLY H 1.0 1.8 4.0 1930 1680 A 94 ASP H A 95 GLY H 1.0 1.8 3.0 1931 1681 A 95 GLY HA3 A 95 GLY H 1.0 1.8 3.0 1932 1682 A 95 GLY HA2 A 95 GLY H 1.0 1.8 3.0 1933 1683 A 95 GLY H A 98 ARG H 1.0 1.8 6.0 1934 1684 A 95 GLY HA3 A 8 PRO HG3 1.0 1.8 4.5 1935 1685 A 95 GLY HA2 A 8 PRO HG3 1.0 1.8 4.5 1936 1686 A 8 PRO HG2 A 95 GLY HA3 1.0 1.8 4.5 1937 1687 A 8 PRO HG2 A 95 GLY HA2 1.0 1.8 4.5 1938 1688 A 95 GLY HA3 A 91 ASP HB2 1.0 1.8 5.5 1939 1688 A 91 ASP HB3 A 95 GLY HA3 1.0 1.8 5.5 1940 1689 A 95 GLY HA2 A 91 ASP HB2 1.0 1.8 5.5 1941 1689 A 91 ASP HB3 A 95 GLY HA2 1.0 1.8 5.5 1942 1690 A 8 PRO HB3 A 96 TRP H 1.0 1.8 6.0 1943 1691 A 96 TRP H A 8 PRO HB2 1.0 1.8 6.0 1944 1692 A 96 TRP H A 8 PRO HG3 1.0 1.8 5.0 1945 1693 A 8 PRO HG2 A 96 TRP H 1.0 1.8 5.0 1946 1694 A 35 ILE HD1% A 96 TRP H 1.0 1.8 6.0 1947 1695 A 89 LEU HD1% A 96 TRP H 1.0 1.8 6.0 1948 1696 A 93 ILE HA A 96 TRP H 1.0 1.8 4.0 1949 1697 A 95 GLY HA3 A 96 TRP H 1.0 1.8 4.0 1950 1698 A 95 GLY HA2 A 96 TRP H 1.0 1.8 4.0 1951 1699 A 95 GLY H A 96 TRP H 1.0 1.8 3.0 1952 1700 A 96 TRP HA A 96 TRP H 1.0 1.8 3.0 1953 1701 A 96 TRP HB3 A 96 TRP H 1.0 1.8 3.0 1954 1702 A 96 TRP H A 96 TRP HB2 1.0 1.8 3.0 1955 1703 A 96 TRP H A 97 LYS H 1.0 1.8 3.0 1956 1704 A 96 TRP HA A 99 ALA HB% 1.0 1.8 4.0 1957 1705 A 97 LYS H A 8 PRO HB2 1.0 1.8 6.0 1958 1705 A 8 PRO HB3 A 97 LYS H 1.0 1.8 6.0 1959 1706 A 97 LYS H A 8 PRO HG3 1.0 1.8 5.0 1960 1706 A 8 PRO HG2 A 97 LYS H 1.0 1.8 5.0 1961 1707 A 93 ILE HA A 97 LYS H 1.0 1.8 5.0 1962 1708 A 93 ILE HB A 97 LYS H 1.0 1.8 6.0 1963 1709 A 97 LYS H A 93 ILE HG12 1.0 1.8 6.0 1964 1709 A 93 ILE HG13 A 97 LYS H 1.0 1.8 6.0 1965 1710 A 93 ILE HD1% A 97 LYS H 1.0 1.8 6.0 1966 1711 A 94 ASP HA A 97 LYS H 1.0 1.8 4.0 1967 1712 A 95 GLY HA3 A 97 LYS H 1.0 1.8 5.5 1968 1713 A 95 GLY HA2 A 97 LYS H 1.0 1.8 5.5 1969 1714 A 96 TRP HA A 97 LYS H 1.0 1.8 4.0 1970 1715 A 96 TRP HB3 A 97 LYS H 1.0 1.8 4.0 1971 1716 A 97 LYS H A 96 TRP HB2 1.0 1.8 4.0 1972 1717 A 97 LYS H A 97 LYS HA 1.0 1.8 3.0 1973 1718 A 97 LYS H A 97 LYS HB2 1.0 1.8 3.0 1974 1718 A 97 LYS HB3 A 97 LYS H 1.0 1.8 3.0 1975 1719 A 97 LYS H A 97 LYS HG3 1.0 1.8 5.0 1976 1720 A 97 LYS H A 97 LYS HG2 1.0 1.8 5.0 1977 1721 A 98 ARG H A 97 LYS H 1.0 1.8 3.0 1978 1722 A 93 ILE HD1% A 97 LYS HA 1.0 1.8 6.0 1979 1723 A 93 ILE HD1% A 97 LYS HE3 1.0 1.8 6.0 1980 1724 A 93 ILE HD1% A 97 LYS HE2 1.0 1.8 6.0 1981 1725 A 94 ASP HA A 97 LYS HE3 1.0 1.8 6.0 1982 1726 A 94 ASP HA A 97 LYS HE2 1.0 1.8 6.0 1983 1727 A 94 ASP HA A 98 ARG H 1.0 1.8 5.0 1984 1728 A 95 GLY HA3 A 98 ARG H 1.0 1.8 5.0 1985 1729 A 95 GLY HA2 A 98 ARG H 1.0 1.8 5.0 1986 1730 A 96 TRP HA A 98 ARG H 1.0 1.8 5.0 1987 1731 A 98 ARG H A 97 LYS HA 1.0 1.8 4.0 1988 1732 A 98 ARG H A 97 LYS HB2 1.0 1.8 3.5 1989 1732 A 97 LYS HB3 A 98 ARG H 1.0 1.8 3.5 1990 1733 A 98 ARG H A 97 LYS HG3 1.0 1.8 4.5 1991 1733 A 98 ARG H A 97 LYS HG2 1.0 1.8 4.5 1992 1734 A 98 ARG H A 98 ARG HA 1.0 1.8 3.0 1993 1735 A 98 ARG H A 98 ARG HB2 1.0 1.8 3.0 1994 1735 A 98 ARG H A 98 ARG HB3 1.0 1.8 3.0 1995 1736 A 98 ARG H A 98 ARG HG2 1.0 1.8 5.0 1996 1736 A 98 ARG H A 98 ARG HG3 1.0 1.8 5.0 1997 1737 A 98 ARG H A 99 ALA HA 1.0 1.8 6.0 1998 1738 A 99 ALA HB% A 98 ARG H 1.0 1.8 6.0 1999 1739 A 98 ARG H A 99 ALA H 1.0 1.8 3.5 2000 1740 A 98 ARG H A 100 GLY H 1.0 1.8 5.5 2001 1741 A 95 GLY HA3 A 99 ALA H 1.0 1.8 5.5 2002 1742 A 95 GLY HA2 A 99 ALA H 1.0 1.8 5.5 2003 1743 A 96 TRP HA A 99 ALA H 1.0 1.8 4.5 2004 1744 A 97 LYS HA A 99 ALA H 1.0 1.8 5.0 2005 1745 A 97 LYS H A 99 ALA H 1.0 1.8 5.0 2006 1746 A 98 ARG HA A 99 ALA H 1.0 1.8 4.5 2007 1747 A 99 ALA H A 98 ARG HB2 1.0 1.8 4.5 2008 1747 A 98 ARG HB3 A 99 ALA H 1.0 1.8 4.5 2009 1748 A 98 ARG HG3 A 99 ALA H 1.0 1.8 5.0 2010 1749 A 99 ALA H A 98 ARG HG2 1.0 1.8 5.0 2011 1750 A 99 ALA HA A 99 ALA H 1.0 1.8 3.0 2012 1751 A 99 ALA HB% A 99 ALA H 1.0 1.8 3.5 2013 1752 A 99 ALA H A 100 GLY HA2 1.0 1.8 5.5 2014 1752 A 99 ALA H A 100 GLY HA3 1.0 1.8 5.5 2015 1753 A 99 ALA H A 100 GLY H 1.0 1.8 3.0 2016 1754 A 99 ALA H A 101 LEU H 1.0 1.8 4.5 2017 1755 A 99 ALA H A 101 LEU HG 1.0 1.8 5.0 2018 1756 A 101 LEU HD1% A 99 ALA H 1.0 1.8 6.0 2019 1757 A 99 ALA HB% A 101 LEU HG 1.0 1.8 4.5 2020 1758 A 99 ALA HB% A 101 LEU HD2% 1.0 1.8 6.0 2021 1759 A 100 GLY H A 97 LYS HB2 1.0 1.8 6.0 2022 1759 A 97 LYS HB3 A 100 GLY H 1.0 1.8 6.0 2023 1760 A 100 GLY H A 97 LYS HG3 1.0 1.8 6.0 2024 1760 A 97 LYS HG2 A 100 GLY H 1.0 1.8 6.0 2025 1761 A 99 ALA HA A 100 GLY H 1.0 1.8 4.0 2026 1762 A 99 ALA HB% A 100 GLY H 1.0 1.8 4.5 2027 1763 A 100 GLY H A 100 GLY HA3 1.0 1.8 3.0 2028 1764 A 100 GLY H A 100 GLY HA2 1.0 1.8 3.0 2029 1765 A 100 GLY H A 101 LEU H 1.0 1.8 5.0 2030 1766 A 100 GLY H A 101 LEU HB2 1.0 1.8 5.5 2031 1766 A 100 GLY H A 101 LEU HB3 1.0 1.8 5.5 2032 1767 A 100 GLY H A 101 LEU HG 1.0 1.8 4.5 2033 1768 A 101 LEU HD1% A 100 GLY H 1.0 1.8 6.0 2034 1769 A 101 LEU HD2% A 100 GLY H 1.0 1.8 6.0 2035 1770 A 96 TRP HA A 101 LEU H 1.0 1.8 5.0 2036 1771 A 97 LYS HA A 101 LEU H 1.0 1.8 4.0 2037 1772 A 99 ALA HB% A 101 LEU H 1.0 1.8 4.5 2038 1773 A 100 GLY HA3 A 101 LEU H 1.0 1.8 4.0 2039 1774 A 101 LEU H A 100 GLY HA2 1.0 1.8 4.0 2040 1775 A 101 LEU H A 101 LEU HA 1.0 1.8 3.0 2041 1776 A 101 LEU H A 101 LEU HB3 1.0 1.8 4.0 2042 1777 A 101 LEU H A 101 LEU HB2 1.0 1.8 4.0 2043 1778 A 101 LEU H A 101 LEU HG 1.0 1.8 3.5 2044 1779 A 101 LEU HD1% A 101 LEU H 1.0 1.8 5.0 2045 1780 A 101 LEU HD2% A 101 LEU H 1.0 1.8 5.0 2046 1781 A 101 LEU H A 102 PRO HB2 1.0 1.8 6.0 2047 1781 A 101 LEU H A 102 PRO HB3 1.0 1.8 6.0 2048 1782 A 101 LEU HA A 100 GLY HA2 1.0 1.8 5.0 2049 1782 A 100 GLY HA3 A 101 LEU HA 1.0 1.8 5.0 2050 1783 A 100 GLY HA3 A 101 LEU HB3 1.0 1.8 6.0 2051 1783 A 101 LEU HB3 A 100 GLY HA2 1.0 1.8 6.0 2052 1784 A 100 GLY HA3 A 101 LEU HB2 1.0 1.8 6.0 2053 1784 A 100 GLY HA2 A 101 LEU HB2 1.0 1.8 6.0 2054 1785 A 101 LEU HB3 A 102 PRO HD3 1.0 1.8 6.0 2055 1785 A 101 LEU HB3 A 102 PRO HD2 1.0 1.8 6.0 2056 1786 A 102 PRO HD3 A 101 LEU HB2 1.0 1.8 6.0 2057 1786 A 101 LEU HB2 A 102 PRO HD2 1.0 1.8 6.0 2058 1787 A 101 LEU HD1% A 12 GLN HB3 1.0 1.8 6.0 2059 1788 A 101 LEU HD1% A 12 GLN HB2 1.0 1.8 6.0 2060 1789 A 96 TRP HA A 101 LEU HD1% 1.0 1.8 6.0 2061 1790 A 99 ALA HB% A 101 LEU HD1% 1.0 1.8 6.0 2062 1791 A 101 LEU HD1% A 100 GLY HA3 1.0 1.8 6.0 2063 1792 A 101 LEU HD1% A 100 GLY HA2 1.0 1.8 6.0 2064 1793 A 101 LEU HD1% A 102 PRO HD2 1.0 1.8 6.0 2065 1793 A 101 LEU HD1% A 102 PRO HD3 1.0 1.8 6.0 2066 1794 A 101 LEU HD2% A 12 GLN HB3 1.0 1.8 6.0 2067 1795 A 101 LEU HD2% A 12 GLN HB2 1.0 1.8 6.0 2068 1796 A 101 LEU HD2% A 100 GLY HA3 1.0 1.8 6.0 2069 1797 A 101 LEU HD2% A 100 GLY HA2 1.0 1.8 6.0 2070 1798 A 101 LEU HD2% A 102 PRO HD2 1.0 1.8 6.0 2071 1798 A 101 LEU HD2% A 102 PRO HD3 1.0 1.8 6.0 2072 1799 A 101 LEU HD2% A 102 PRO HG3 1.0 1.8 6.0 2073 1800 A 101 LEU HD2% A 102 PRO HG2 1.0 1.8 6.0 2074 1801 A 101 LEU HA A 102 PRO HD3 1.0 1.8 4.0 2075 1802 A 101 LEU HA A 102 PRO HD2 1.0 1.8 4.0 2076 1803 A 103 VAL H A 102 PRO HA 1.0 1.8 4.0 2077 1804 A 102 PRO HB3 A 103 VAL H 1.0 1.8 4.5 2078 1805 A 103 VAL H A 102 PRO HB2 1.0 1.8 4.5 2079 1806 A 102 PRO HG3 A 103 VAL H 1.0 1.8 6.0 2080 1807 A 102 PRO HG2 A 103 VAL H 1.0 1.8 6.0 2081 1808 A 103 VAL HA A 103 VAL H 1.0 1.8 3.0 2082 1809 A 103 VAL H A 103 VAL HB 1.0 1.8 3.5 2083 1810 A 103 VAL H A 103 VAL HG2% 1.0 1.8 4.5 2084 1810 A 103 VAL HG1% A 103 VAL H 1.0 1.8 4.5 2085 1811 A 104 ALA HB% A 103 VAL H 1.0 1.8 6.0 2086 1812 A 104 ALA H A 103 VAL H 1.0 1.8 5.0 2087 1813 A 103 VAL HG1% A 35 ILE HA 1.0 1.8 6.0 2088 1814 A 103 VAL HG1% A 35 ILE HG13 1.0 1.8 6.0 2089 1814 A 103 VAL HG1% A 35 ILE HG12 1.0 1.8 6.0 2090 1815 A 103 VAL HG1% A 35 ILE HD1% 1.0 1.8 6.0 2091 1816 A 103 VAL HG1% A 33 GLU HG3 1.0 1.8 6.0 2092 1817 A 33 GLU HG2 A 103 VAL HG1% 1.0 1.8 6.0 2093 1818 A 33 GLU HG3 A 103 VAL HG2% 1.0 1.8 6.0 2094 1819 A 33 GLU HG2 A 103 VAL HG2% 1.0 1.8 6.0 2095 1820 A 33 GLU HA A 104 ALA H 1.0 1.8 5.0 2096 1821 A 104 ALA H A 33 GLU HG3 1.0 1.8 6.0 2097 1821 A 33 GLU HG2 A 104 ALA H 1.0 1.8 6.0 2098 1822 A 35 ILE HA A 104 ALA H 1.0 1.8 4.5 2099 1823 A 104 ALA H A 35 ILE HG13 1.0 1.8 6.0 2100 1823 A 104 ALA H A 35 ILE HG12 1.0 1.8 6.0 2101 1824 A 35 ILE HG2% A 104 ALA H 1.0 1.8 6.0 2102 1825 A 104 ALA H A 36 PRO HG3 1.0 1.8 6.0 2103 1826 A 104 ALA H A 36 PRO HG2 1.0 1.8 6.0 2104 1827 A 104 ALA H A 103 VAL HA 1.0 1.8 3.0 2105 1828 A 104 ALA H A 103 VAL HB 1.0 1.8 4.0 2106 1829 A 104 ALA H A 103 VAL HG2% 1.0 1.8 4.5 2107 1829 A 103 VAL HG1% A 104 ALA H 1.0 1.8 4.5 2108 1830 A 104 ALA H A 104 ALA HA 1.0 1.8 3.0 2109 1831 A 104 ALA HB% A 104 ALA H 1.0 1.8 3.5 2110 1832 A 104 ALA H A 105 VAL HG2% 1.0 1.8 6.0 2111 1832 A 105 VAL HG1% A 104 ALA H 1.0 1.8 6.0 2112 1833 A 104 ALA HB% A 103 VAL HA 1.0 1.8 5.0 2113 1834 A 105 VAL H A 33 GLU HG3 1.0 1.8 5.0 2114 1834 A 33 GLU HG2 A 105 VAL H 1.0 1.8 5.0 2115 1835 A 105 VAL H A 103 VAL HG2% 1.0 1.8 6.0 2116 1835 A 103 VAL HG1% A 105 VAL H 1.0 1.8 6.0 2117 1836 A 105 VAL H A 104 ALA HA 1.0 1.8 3.0 2118 1837 A 104 ALA HB% A 105 VAL H 1.0 1.8 3.5 2119 1838 A 104 ALA H A 105 VAL H 1.0 1.8 5.0 2120 1839 A 105 VAL H A 105 VAL HA 1.0 1.8 3.0 2121 1840 A 105 VAL H A 105 VAL HB 1.0 1.8 4.0 2122 1841 A 105 VAL HG1% A 105 VAL H 1.0 1.8 5.0 2123 1842 A 105 VAL H A 105 VAL HG2% 1.0 1.8 5.0 2124 1843 A 105 VAL H A 106 ASN HA 1.0 1.8 5.5 2125 1844 A 33 GLU HA A 105 VAL HA 1.0 1.8 5.0 2126 1845 A 33 GLU HA A 105 VAL HB 1.0 1.8 5.0 2127 1846 A 105 VAL HB A 103 VAL HG2% 1.0 1.8 6.0 2128 1847 A 105 VAL HG1% A 33 GLU HA 1.0 1.8 5.0 2129 1848 A 32 ARG HA A 105 VAL HG2% 1.0 1.8 5.0 2130 1849 A 32 ARG HB2 A 105 VAL HG2% 1.0 1.8 6.0 2131 1849 A 32 ARG HB3 A 105 VAL HG2% 1.0 1.8 6.0 2132 1850 A 32 ARG HG3 A 105 VAL HG2% 1.0 1.8 6.0 2133 1850 A 32 ARG HG2 A 105 VAL HG2% 1.0 1.8 6.0 2134 1851 A 33 GLU HA A 105 VAL HG2% 1.0 1.8 5.0 2135 1852 A 106 ASN HA A 105 VAL HG2% 1.0 1.8 6.0 2136 1853 A 106 ASN HB3 A 105 VAL HG2% 1.0 1.8 6.0 2137 1853 A 105 VAL HG2% A 106 ASN HB2 1.0 1.8 6.0 2138 1854 A 32 ARG HA A 106 ASN H 1.0 1.8 5.0 2139 1855 A 106 ASN H A 105 VAL HA 1.0 1.8 3.0 2140 1856 A 106 ASN H A 105 VAL HB 1.0 1.8 4.0 2141 1857 A 106 ASN H A 105 VAL HG2% 1.0 1.8 5.0 2142 1858 A 105 VAL H A 106 ASN H 1.0 1.8 5.0 2143 1859 A 106 ASN H A 106 ASN HA 1.0 1.8 3.0 2144 1860 A 106 ASN H A 106 ASN HB2 1.0 1.8 4.0 2145 1860 A 106 ASN HB3 A 106 ASN H 1.0 1.8 4.0 2146 1861 A 106 ASN H A 107 LYS H 1.0 1.8 5.0 2147 1862 A 105 VAL HB A 107 LYS H 1.0 1.8 5.0 2148 1863 A 107 LYS H A 105 VAL HG2% 1.0 1.8 5.0 2149 1863 A 105 VAL HG1% A 107 LYS H 1.0 1.8 5.0 2150 1864 A 106 ASN HA A 107 LYS H 1.0 1.8 3.0 2151 1865 A 107 LYS H A 106 ASN HB2 1.0 1.8 4.5 2152 1865 A 106 ASN HB3 A 107 LYS H 1.0 1.8 4.5 2153 1866 A 107 LYS H A 107 LYS HA 1.0 1.8 3.0 2154 1867 A 107 LYS H A 107 LYS HB3 1.0 1.8 3.0 2155 1868 A 107 LYS H A 107 LYS HB2 1.0 1.8 3.0 2156 1869 A 107 LYS H A 107 LYS HG2 1.0 1.8 5.0 2157 1869 A 107 LYS H A 107 LYS HG3 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 4 THR C A 5 THR N A 5 THR CA A 5 THR C 1.0 -118.3 -78.3 PHI 2 2 A 5 THR N A 5 THR CA A 5 THR C A 6 ILE N 1.0 112.5 152.5 PSI 3 3 A 5 THR C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -150.1 -110.1 PHI 4 4 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 SER N 1.0 126.0 166.0 PSI 5 5 A 7 SER C A 8 PRO N A 8 PRO CA A 8 PRO C 1.0 -71.9 -31.9 PHI 6 6 A 8 PRO N A 8 PRO CA A 8 PRO C A 9 HIS N 1.0 -57.3 -17.3 PSI 7 7 A 8 PRO C A 9 HIS N A 9 HIS CA A 9 HIS C 1.0 -82.7 -42.7 PHI 8 8 A 9 HIS N A 9 HIS CA A 9 HIS C A 10 ASP N 1.0 -59.7 -19.7 PSI 9 9 A 9 HIS C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -85.7 -45.7 PHI 10 10 A 10 ASP N A 10 ASP CA A 10 ASP C A 11 ALA N 1.0 -62.6 -22.6 PSI 11 11 A 10 ASP C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -84.8 -44.8 PHI 12 12 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 GLN N 1.0 -60.7 -20.7 PSI 13 13 A 11 ALA C A 12 GLN N A 12 GLN CA A 12 GLN C 1.0 -79.8 -39.8 PHI 14 14 A 12 GLN N A 12 GLN CA A 12 GLN C A 13 GLU N 1.0 -63.3 -23.3 PSI 15 15 A 12 GLN C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -85.1 -45.1 PHI 16 16 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 LEU N 1.0 -65.7 -25.7 PSI 17 17 A 13 GLU C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -84.0 -44.0 PHI 18 18 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 ILE N 1.0 -63.7 -23.7 PSI 19 19 A 14 LEU C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -88.7 -48.7 PHI 20 20 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 ALA N 1.0 -58.2 -18.2 PSI 21 21 A 15 ILE C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -85.3 -45.3 PHI 22 22 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 ARG N 1.0 -48.1 -8.1 PSI 23 23 A 19 ALA C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -136.3 -96.3 PHI 24 24 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 LEU N 1.0 98.5 138.5 PSI 25 25 A 20 LYS C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -117.6 -77.6 PHI 26 26 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 ILE N 1.0 107.8 147.8 PSI 27 27 A 21 LEU C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -135.7 -95.7 PHI 28 28 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 ASP N 1.0 102.0 142.0 PSI 29 29 A 22 ILE C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -147.0 -97.2 PHI 30 30 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 ILE N 1.0 124.5 176.1 PSI 31 31 A 26 ASP C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -78.2 -38.2 PHI 32 32 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 ASP N 1.0 -61.4 -21.4 PSI 33 33 A 27 ALA C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 -82.9 -42.9 PHI 34 34 A 28 ASP N A 28 ASP CA A 28 ASP C A 29 GLU N 1.0 -60.5 -20.5 PSI 35 35 A 28 ASP C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -86.1 -46.1 PHI 36 36 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 TYR N 1.0 -60.8 -20.8 PSI 37 37 A 29 GLU C A 30 TYR N A 30 TYR CA A 30 TYR C 1.0 -82.8 -42.8 PHI 38 38 A 30 TYR N A 30 TYR CA A 30 TYR C A 31 LEU N 1.0 -64.7 -24.7 PSI 39 39 A 30 TYR C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -84.5 -44.5 PHI 40 40 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 ARG N 1.0 -59.1 -19.1 PSI 41 41 A 31 LEU C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -88.8 -48.8 PHI 42 42 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 GLU N 1.0 -50.7 -10.7 PSI 43 43 A 38 ALA C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -182.1 -85.1 PHI 44 44 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 LEU N 1.0 124.1 172.1 PSI 45 45 A 39 ASP C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -115.9 -75.9 PHI 46 46 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 ALA N 1.0 100.2 140.2 PSI 47 47 A 42 PRO C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -71.3 -31.3 PHI 48 48 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 SER N 1.0 -65.5 -25.5 PSI 49 49 A 43 LEU C A 44 SER N A 44 SER CA A 44 SER C 1.0 -83.8 -43.8 PHI 50 50 A 44 SER N A 44 SER CA A 44 SER C A 45 VAL N 1.0 -55.5 -15.5 PSI 51 51 A 44 SER C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -84.5 -44.5 PHI 52 52 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 LEU N 1.0 -64.8 -24.8 PSI 53 53 A 45 VAL C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -84.7 -44.7 PHI 54 54 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 GLU N 1.0 -55.0 -15.0 PSI 55 55 A 46 LEU C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -85.4 -45.4 PHI 56 56 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 GLN N 1.0 -57.8 -17.8 PSI 57 57 A 47 GLU C A 48 GLN N A 48 GLN CA A 48 GLN C 1.0 -97.3 -57.3 PHI 58 58 A 48 GLN N A 48 GLN CA A 48 GLN C A 49 SER N 1.0 -59.4 -19.4 PSI 59 59 A 52 PRO C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -73.7 -33.7 PHI 60 60 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 LYS N 1.0 -60.1 -20.1 PSI 61 61 A 53 ALA C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -87.1 -47.1 PHI 62 62 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 LEU N 1.0 -34.8 5.2 PSI 63 63 A 54 LYS C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -117.6 -77.6 PHI 64 64 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 ARG N 1.0 -13.3 26.7 PSI 65 65 A 58 GLU C A 59 GLN N A 59 GLN CA A 59 GLN C 1.0 -152.5 -112.5 PHI 66 66 A 59 GLN N A 59 GLN CA A 59 GLN C A 60 ILE N 1.0 133.9 173.9 PSI 67 67 A 59 GLN C A 60 ILE N A 60 ILE CA A 60 ILE C 1.0 -156.3 -116.3 PHI 68 68 A 60 ILE N A 60 ILE CA A 60 ILE C A 61 ILE N 1.0 115.7 155.7 PSI 69 69 A 60 ILE C A 61 ILE N A 61 ILE CA A 61 ILE C 1.0 -141.7 -101.7 PHI 70 70 A 61 ILE N A 61 ILE CA A 61 ILE C A 62 PHE N 1.0 108.8 148.8 PSI 71 71 A 61 ILE C A 62 PHE N A 62 PHE CA A 62 PHE C 1.0 -143.1 -103.1 PHI 72 72 A 62 PHE N A 62 PHE CA A 62 PHE C A 63 HIS N 1.0 121.6 161.6 PSI 73 73 A 62 PHE C A 63 HIS N A 63 HIS CA A 63 HIS C 1.0 -163.7 -123.7 PHI 74 74 A 63 HIS N A 63 HIS CA A 63 HIS C A 64 CYS N 1.0 134.4 174.4 PSI 75 75 A 63 HIS C A 64 CYS N A 64 CYS CA A 64 CYS C 1.0 -115.8 -75.8 PHI 76 76 A 64 CYS N A 64 CYS CA A 64 CYS C A 65 GLN N 1.0 113.2 153.2 PSI 77 77 A 68 LYS C A 69 ARG N A 69 ARG CA A 69 ARG C 1.0 -85.1 -45.1 PHI 78 78 A 69 ARG N A 69 ARG CA A 69 ARG C A 70 THR N 1.0 -62.7 -22.7 PSI 79 79 A 69 ARG C A 70 THR N A 70 THR CA A 70 THR C 1.0 -83.4 -43.4 PHI 80 80 A 70 THR N A 70 THR CA A 70 THR C A 71 SER N 1.0 -63.1 -23.1 PSI 81 81 A 70 THR C A 71 SER N A 71 SER CA A 71 SER C 1.0 -83.1 -43.1 PHI 82 82 A 71 SER N A 71 SER CA A 71 SER C A 72 ASN N 1.0 -58.9 -18.9 PSI 83 83 A 71 SER C A 72 ASN N A 72 ASN CA A 72 ASN C 1.0 -86.2 -46.2 PHI 84 84 A 72 ASN N A 72 ASN CA A 72 ASN C A 73 ASN N 1.0 -49.3 -9.3 PSI 85 85 A 72 ASN C A 73 ASN N A 73 ASN CA A 73 ASN C 1.0 -124.5 -84.5 PHI 86 86 A 73 ASN N A 73 ASN CA A 73 ASN C A 74 ALA N 1.0 -16.6 23.4 PSI 87 87 A 73 ASN C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -76.5 -36.5 PHI 88 88 A 74 ALA N A 74 ALA CA A 74 ALA C A 75 ASP N 1.0 -66.7 -26.7 PSI 89 89 A 74 ALA C A 75 ASP N A 75 ASP CA A 75 ASP C 1.0 -85.1 -45.1 PHI 90 90 A 75 ASP N A 75 ASP CA A 75 ASP C A 76 LYS N 1.0 -55.7 -15.7 PSI 91 91 A 75 ASP C A 76 LYS N A 76 LYS CA A 76 LYS C 1.0 -86.0 -46.0 PHI 92 92 A 76 LYS N A 76 LYS CA A 76 LYS C A 77 LEU N 1.0 -61.1 -21.1 PSI 93 93 A 76 LYS C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -85.7 -45.7 PHI 94 94 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 ALA N 1.0 -63.9 -23.9 PSI 95 95 A 77 LEU C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -79.7 -39.7 PHI 96 96 A 78 ALA N A 78 ALA CA A 78 ALA C A 79 ALA N 1.0 -61.3 -21.3 PSI 97 97 A 78 ALA C A 79 ALA N A 79 ALA CA A 79 ALA C 1.0 -84.8 -44.8 PHI 98 98 A 79 ALA N A 79 ALA CA A 79 ALA C A 80 ILE N 1.0 -60.4 -20.4 PSI 99 99 A 79 ALA C A 80 ILE N A 80 ILE CA A 80 ILE C 1.0 -88.3 -48.3 PHI 100 100 A 80 ILE N A 80 ILE CA A 80 ILE C A 81 ALA N 1.0 -58.0 -18.0 PSI 101 101 A 85 GLU C A 86 ILE N A 86 ILE CA A 86 ILE C 1.0 -148.6 -108.6 PHI 102 102 A 86 ILE N A 86 ILE CA A 86 ILE C A 87 PHE N 1.0 118.4 158.4 PSI 103 103 A 86 ILE C A 87 PHE N A 87 PHE CA A 87 PHE C 1.0 -152.3 -112.3 PHI 104 104 A 87 PHE N A 87 PHE CA A 87 PHE C A 88 LEU N 1.0 137.9 177.9 PSI 105 105 A 87 PHE C A 88 LEU N A 88 LEU CA A 88 LEU C 1.0 -137.4 -96.2 PHI 106 106 A 88 LEU N A 88 LEU CA A 88 LEU C A 89 LEU N 1.0 128.9 168.9 PSI 107 107 A 92 GLY C A 93 ILE N A 93 ILE CA A 93 ILE C 1.0 -91.0 -51.0 PHI 108 108 A 93 ILE N A 93 ILE CA A 93 ILE C A 94 ASP N 1.0 -57.3 -17.3 PSI 109 109 A 93 ILE C A 94 ASP N A 94 ASP CA A 94 ASP C 1.0 -84.1 -44.1 PHI 110 110 A 94 ASP N A 94 ASP CA A 94 ASP C A 95 GLY N 1.0 -60.4 -20.4 PSI 111 111 A 94 ASP C A 95 GLY N A 95 GLY CA A 95 GLY C 1.0 -87.4 -47.4 PHI 112 112 A 95 GLY N A 95 GLY CA A 95 GLY C A 96 TRP N 1.0 -60.2 -20.2 PSI 113 113 A 95 GLY C A 96 TRP N A 96 TRP CA A 96 TRP C 1.0 -85.0 -45.0 PHI 114 114 A 96 TRP N A 96 TRP CA A 96 TRP C A 97 LYS N 1.0 -62.5 -22.5 PSI 115 115 A 96 TRP C A 97 LYS N A 97 LYS CA A 97 LYS C 1.0 -81.4 -41.4 PHI 116 116 A 97 LYS N A 97 LYS CA A 97 LYS C A 98 ARG N 1.0 -62.0 -22.0 PSI 117 117 A 97 LYS C A 98 ARG N A 98 ARG CA A 98 ARG C 1.0 -85.2 -45.2 PHI 118 118 A 98 ARG N A 98 ARG CA A 98 ARG C A 99 ALA N 1.0 -45.8 -5.8 PSI 119 119 A 102 PRO C A 103 VAL N A 103 VAL CA A 103 VAL C 1.0 -152.5 -112.5 PHI 120 120 A 103 VAL N A 103 VAL CA A 103 VAL C A 104 ALA N 1.0 131.3 171.3 PSI 121 121 A 103 VAL C A 104 ALA N A 104 ALA CA A 104 ALA C 1.0 -146.9 -106.9 PHI 122 122 A 104 ALA N A 104 ALA CA A 104 ALA C A 105 VAL N 1.0 112.4 152.4 PSI 123 123 A 104 ALA C A 105 VAL N A 105 VAL CA A 105 VAL C 1.0 -141.5 -97.1 PHI 124 124 A 105 VAL N A 105 VAL CA A 105 VAL C A 106 ASN N 1.0 119.7 159.7 PSI 125 125 A 105 VAL C A 106 ASN N A 106 ASN CA A 106 ASN C 1.0 -112.5 -62.5 PHI 126 126 A 106 ASN N A 106 ASN CA A 106 ASN C A 107 LYS N 1.0 109.9 149.9 PSI stop_ save_