data_nef_c19633_2mhh 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 2MHH 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 12 GLY start . false 2 A 13 GLY middle . false 3 A 14 LEU middle . . 4 A 15 VAL middle . . 5 A 16 PRO middle . false 6 A 17 ARG middle . . 7 A 18 GLY middle . false 8 A 19 SER middle . . 9 A 20 HIS middle . . 10 A 21 MET middle . . 11 A 22 ALA middle . . 12 A 23 SER middle . . 13 A 24 LYS middle . . 14 A 25 ARG middle . . 15 A 26 ASP middle . . 16 A 27 LYS middle . . 17 A 28 ILE middle . . 18 A 29 ALA middle . . 19 A 30 ASP middle . . 20 A 31 ILE middle . . 21 A 32 GLN middle . . 22 A 33 GLU middle . . 23 A 34 ALA middle . . 24 A 35 LEU middle . . 25 A 36 ALA middle . . 26 A 37 HIS middle . . 27 A 38 ALA middle . . 28 A 39 ASP middle . . 29 A 40 ALA middle . . 30 A 41 ASN middle . . 31 A 42 ALA middle . . 32 A 43 ASP middle . . 33 A 44 GLN middle . . 34 A 45 HIS middle . . 35 A 46 LEU middle . . 36 A 47 ASP middle . . 37 A 48 PHE middle . . 38 A 49 ASP middle . . 39 A 50 GLU middle . . 40 A 51 TRP middle . . 41 A 52 ARG middle . . 42 A 53 GLN middle . . 43 A 54 GLU middle . . 44 A 55 LEU middle . . 45 A 56 LYS middle . . 46 A 57 CYS middle . . 47 A 58 ARG middle . . 48 A 59 GLY middle . false 49 A 60 HIS middle . . 50 A 61 ALA middle . . 51 A 62 ASP middle . . 52 A 63 ALA middle . . 53 A 64 ASP middle . . 54 A 65 ILE middle . . 55 A 66 GLU middle . . 56 A 67 ALA middle . . 57 A 68 VAL middle . . 58 A 69 PHE middle . . 59 A 70 ALA middle . . 60 A 71 LYS middle . . 61 A 72 TYR middle . . 62 A 73 ASP middle . . 63 A 74 VAL middle . . 64 A 75 ASP middle . . 65 A 76 GLY middle . false 66 A 77 ASP middle . . 67 A 78 ARG middle . . 68 A 79 VAL middle . . 69 A 80 LEU middle . . 70 A 81 ASP middle . . 71 A 82 ALA middle . . 72 A 83 GLU middle . . 73 A 84 GLU middle . . 74 A 85 GLN middle . . 75 A 86 MET middle . . 76 A 87 LYS middle . . 77 A 88 MET middle . . 78 A 89 ALA middle . . 79 A 90 HIS middle . . 80 A 91 ASP middle . . 81 A 92 LEU middle . . 82 A 93 GLU middle . . 83 A 94 GLY middle . false 84 A 95 GLN middle . . 85 A 96 LYS middle . . 86 A 97 SER middle . . 87 A 98 ASP middle . . 88 A 99 LEU middle . . 89 A 100 ASN middle . . 90 A 101 ASN middle . . 91 A 102 GLN middle . . 92 A 103 LEU middle . . 93 A 104 ALA middle . . 94 A 105 GLU middle . . 95 A 106 LEU middle . . 96 A 107 GLU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 13 GLY H H 1 8.394 0.003 A 13 GLY HAx H 1 3.955 0.002 A 13 GLY C C 13 173.208 0.012 A 13 GLY CA C 13 45.298 0.040 A 13 GLY N N 15 110.607 0.051 A 14 LEU H H 1 8.063 0.002 A 14 LEU HA H 1 4.348 0.002 A 14 LEU HBy H 1 1.603 0.002 A 14 LEU HBx H 1 1.527 0.005 A 14 LEU HDx% H 1 0.867 0.003 A 14 LEU HDy% H 1 0.822 0.001 A 14 LEU HG H 1 1.550 0.007 A 14 LEU C C 13 176.527 0.010 A 14 LEU CA C 13 55.160 0.028 A 14 LEU CB C 13 42.475 0.037 A 14 LEU CD1 C 13 24.899 0.036 A 14 LEU CD2 C 13 23.514 0.000 A 14 LEU CG C 13 26.968 0.000 A 14 LEU N N 15 121.598 0.031 A 15 VAL H H 1 8.103 0.001 A 15 VAL HA H 1 4.384 0.000 A 15 VAL HB H 1 2.058 0.001 A 15 VAL HGx% H 1 0.910 0.000 A 15 VAL HGy% H 1 0.925 0.001 A 15 VAL CA C 13 59.846 0.073 A 15 VAL CB C 13 32.591 0.012 A 15 VAL CG1 C 13 20.444 0.033 A 15 VAL CG2 C 13 21.110 0.036 A 15 VAL N N 15 122.437 0.057 A 16 PRO HA H 1 4.395 0.001 A 16 PRO HBy H 1 2.282 0.002 A 16 PRO HBx H 1 1.889 0.003 A 16 PRO HDy H 1 3.853 0.003 A 16 PRO HDx H 1 3.648 0.002 A 16 PRO HGy H 1 2.032 0.005 A 16 PRO HGx H 1 1.944 0.005 A 16 PRO C C 13 176.519 0.048 A 16 PRO CA C 13 63.302 0.019 A 16 PRO CB C 13 32.120 0.017 A 16 PRO CD C 13 51.058 0.036 A 16 PRO CG C 13 27.536 0.006 A 17 ARG H H 1 8.491 0.002 A 17 ARG HA H 1 4.296 0.003 A 17 ARG HBx H 1 1.838 0.004 A 17 ARG HDx H 1 3.206 0.001 A 17 ARG HGx H 1 1.683 0.002 A 17 ARG C C 13 176.609 0.008 A 17 ARG CA C 13 56.689 0.140 A 17 ARG CB C 13 30.802 0.042 A 17 ARG CD C 13 43.284 0.000 A 17 ARG CG C 13 27.065 0.073 A 17 ARG N N 15 121.818 0.027 A 18 GLY H H 1 8.526 0.001 A 18 GLY HAx H 1 3.967 0.013 A 18 GLY C C 13 173.903 0.011 A 18 GLY CA C 13 45.649 0.017 A 18 GLY N N 15 109.904 0.009 A 19 SER H H 1 8.143 0.003 A 19 SER HA H 1 4.375 0.003 A 19 SER HBy H 1 3.886 0.000 A 19 SER HBx H 1 3.840 0.000 A 19 SER C C 13 174.629 0.000 A 19 SER CA C 13 59.087 0.074 A 19 SER CB C 13 63.703 0.045 A 19 SER N N 15 115.606 0.017 A 20 HIS H H 1 8.291 0.002 A 20 HIS HA H 1 4.630 0.003 A 20 HIS HBy H 1 3.245 0.006 A 20 HIS HBx H 1 3.192 0.005 A 20 HIS C C 13 175.272 0.004 A 20 HIS CA C 13 56.893 0.044 A 20 HIS CB C 13 29.460 0.024 A 20 HIS N N 15 120.215 0.034 A 21 MET H H 1 8.246 0.005 A 21 MET HA H 1 4.265 0.003 A 21 MET HBy H 1 2.054 0.004 A 21 MET HBx H 1 1.970 0.003 A 21 MET HGy H 1 2.541 0.002 A 21 MET HGx H 1 2.405 0.005 A 21 MET C C 13 175.870 0.013 A 21 MET CA C 13 57.111 0.040 A 21 MET CB C 13 33.032 0.029 A 21 MET CG C 13 32.210 0.023 A 21 MET N N 15 120.799 0.045 A 22 ALA H H 1 8.336 0.003 A 22 ALA HA H 1 4.177 0.001 A 22 ALA HB% H 1 1.420 0.004 A 22 ALA C C 13 177.650 0.003 A 22 ALA CA C 13 53.925 0.033 A 22 ALA CB C 13 18.800 0.023 A 22 ALA N N 15 123.852 0.040 A 23 SER H H 1 8.204 0.005 A 23 SER HA H 1 4.401 0.006 A 23 SER HBy H 1 4.043 0.011 A 23 SER HBx H 1 3.940 0.001 A 23 SER C C 13 175.352 0.004 A 23 SER CA C 13 59.401 0.053 A 23 SER CB C 13 63.755 0.053 A 23 SER N N 15 114.231 0.023 A 24 LYS H H 1 8.230 0.007 A 24 LYS HA H 1 4.122 0.009 A 24 LYS HBx H 1 1.877 0.005 A 24 LYS HDx H 1 1.696 0.005 A 24 LYS HEx H 1 2.973 0.004 A 24 LYS HGy H 1 1.516 0.006 A 24 LYS HGx H 1 1.406 0.005 A 24 LYS C C 13 177.114 0.020 A 24 LYS CA C 13 58.925 0.093 A 24 LYS CB C 13 32.610 0.046 A 24 LYS CD C 13 29.365 0.064 A 24 LYS CG C 13 25.102 0.035 A 24 LYS N N 15 123.227 0.039 A 25 ARG H H 1 8.292 0.003 A 25 ARG HA H 1 3.928 0.002 A 25 ARG HBy H 1 2.003 0.007 A 25 ARG HBx H 1 1.789 0.009 A 25 ARG HDx H 1 3.206 0.006 A 25 ARG HGy H 1 1.788 0.007 A 25 ARG HGx H 1 1.551 0.004 A 25 ARG C C 13 177.079 0.015 A 25 ARG CA C 13 59.101 0.054 A 25 ARG CB C 13 29.590 0.084 A 25 ARG CD C 13 42.718 0.024 A 25 ARG CG C 13 27.007 0.057 A 25 ARG N N 15 120.391 0.035 A 26 ASP H H 1 8.260 0.008 A 26 ASP HA H 1 4.473 0.004 A 26 ASP HBx H 1 2.782 0.002 A 26 ASP C C 13 177.245 0.052 A 26 ASP CA C 13 56.265 0.078 A 26 ASP CB C 13 40.426 0.022 A 26 ASP N N 15 120.402 0.051 A 27 LYS H H 1 8.075 0.005 A 27 LYS HA H 1 4.176 0.003 A 27 LYS HBy H 1 2.002 0.007 A 27 LYS HBx H 1 1.917 0.010 A 27 LYS HDx H 1 1.670 0.002 A 27 LYS HEx H 1 2.903 0.002 A 27 LYS HGy H 1 1.545 0.004 A 27 LYS HGx H 1 1.399 0.012 A 27 LYS C C 13 177.769 0.018 A 27 LYS CA C 13 59.566 0.027 A 27 LYS CB C 13 32.658 0.036 A 27 LYS CD C 13 29.531 0.054 A 27 LYS CE C 13 41.934 0.000 A 27 LYS CG C 13 25.457 0.117 A 27 LYS N N 15 121.884 0.085 A 28 ILE H H 1 8.029 0.004 A 28 ILE HA H 1 3.656 0.002 A 28 ILE HB H 1 1.934 0.001 A 28 ILE HD1% H 1 0.799 0.004 A 28 ILE HG1y H 1 1.699 0.002 A 28 ILE HG1x H 1 1.140 0.002 A 28 ILE HG2% H 1 0.884 0.003 A 28 ILE C C 13 176.981 0.013 A 28 ILE CA C 13 64.838 0.070 A 28 ILE CB C 13 37.761 0.039 A 28 ILE CD1 C 13 13.393 0.068 A 28 ILE CG1 C 13 29.108 0.067 A 28 ILE CG2 C 13 18.229 0.008 A 28 ILE N N 15 118.906 0.069 A 29 ALA H H 1 8.125 0.002 A 29 ALA HA H 1 4.377 0.003 A 29 ALA HB% H 1 1.523 0.000 A 29 ALA C C 13 179.641 0.001 A 29 ALA CA C 13 54.762 0.031 A 29 ALA CB C 13 18.241 0.023 A 29 ALA N N 15 122.140 0.047 A 30 ASP H H 1 8.032 0.004 A 30 ASP HA H 1 4.416 0.001 A 30 ASP HBy H 1 2.949 0.005 A 30 ASP HBx H 1 2.670 0.002 A 30 ASP C C 13 177.548 0.014 A 30 ASP CA C 13 57.411 0.033 A 30 ASP CB C 13 42.351 0.024 A 30 ASP N N 15 118.264 0.023 A 31 ILE H H 1 8.011 0.002 A 31 ILE HA H 1 3.492 0.002 A 31 ILE HB H 1 2.041 0.006 A 31 ILE HD1% H 1 0.834 0.004 A 31 ILE HG1y H 1 1.824 0.004 A 31 ILE HG1x H 1 0.897 0.009 A 31 ILE HG2% H 1 1.045 0.006 A 31 ILE C C 13 177.006 0.010 A 31 ILE CA C 13 64.957 0.058 A 31 ILE CB C 13 37.176 0.026 A 31 ILE CD1 C 13 12.952 0.056 A 31 ILE CG1 C 13 29.480 0.025 A 31 ILE CG2 C 13 19.305 0.087 A 31 ILE N N 15 119.877 0.032 A 32 GLN H H 1 8.545 0.002 A 32 GLN HA H 1 3.877 0.004 A 32 GLN HBy H 1 2.349 0.010 A 32 GLN HBx H 1 2.047 0.014 A 32 GLN HE2y H 1 7.595 0.005 A 32 GLN HE2x H 1 7.023 0.005 A 32 GLN HGy H 1 2.519 0.015 A 32 GLN HGx H 1 2.233 0.005 A 32 GLN C C 13 178.977 0.018 A 32 GLN CA C 13 60.120 0.052 A 32 GLN CB C 13 29.352 0.134 A 32 GLN CG C 13 35.450 0.117 A 32 GLN N N 15 118.920 0.029 A 32 GLN NE2 N 15 110.805 0.196 A 33 GLU H H 1 8.081 0.006 A 33 GLU HA H 1 4.065 0.009 A 33 GLU HBy H 1 2.179 0.003 A 33 GLU HBx H 1 2.112 0.002 A 33 GLU HGy H 1 2.434 0.004 A 33 GLU HGx H 1 2.298 0.002 A 33 GLU C C 13 178.491 0.023 A 33 GLU CA C 13 59.283 0.072 A 33 GLU CB C 13 29.168 0.136 A 33 GLU CG C 13 36.531 0.013 A 33 GLU N N 15 120.014 0.044 A 34 ALA H H 1 8.319 0.002 A 34 ALA HA H 1 3.930 0.003 A 34 ALA HB% H 1 1.190 0.001 A 34 ALA C C 13 179.129 0.010 A 34 ALA CA C 13 55.367 0.036 A 34 ALA CB C 13 18.810 0.049 A 34 ALA N N 15 123.236 0.046 A 35 LEU H H 1 8.384 0.003 A 35 LEU HA H 1 4.015 0.002 A 35 LEU HBy H 1 1.846 0.001 A 35 LEU HBx H 1 1.749 0.009 A 35 LEU HDx% H 1 0.908 0.006 A 35 LEU HDy% H 1 0.911 0.004 A 35 LEU HG H 1 1.849 0.009 A 35 LEU C C 13 177.772 0.056 A 35 LEU CA C 13 58.222 0.134 A 35 LEU CB C 13 42.139 0.004 A 35 LEU CD1 C 13 24.543 0.045 A 35 LEU CD2 C 13 23.962 0.031 A 35 LEU CG C 13 27.147 0.044 A 35 LEU N N 15 117.635 0.110 A 36 ALA H H 1 7.339 0.006 A 36 ALA HA H 1 4.234 0.001 A 36 ALA HB% H 1 1.353 0.001 A 36 ALA C C 13 178.195 0.013 A 36 ALA CA C 13 53.510 0.078 A 36 ALA CB C 13 18.836 0.015 A 36 ALA N N 15 117.942 0.071 A 37 HIS H H 1 7.760 0.005 A 37 HIS HA H 1 4.694 0.006 A 37 HIS HBy H 1 3.218 0.003 A 37 HIS HBx H 1 2.978 0.005 A 37 HIS HD2 H 1 7.364 0.020 A 37 HIS C C 13 174.813 0.013 A 37 HIS CA C 13 56.789 0.095 A 37 HIS CB C 13 30.662 0.014 A 37 HIS CD2 C 13 119.617 0.110 A 37 HIS N N 15 114.226 0.013 A 38 ALA H H 1 8.088 0.008 A 38 ALA HA H 1 4.227 0.002 A 38 ALA HB% H 1 1.491 0.004 A 38 ALA C C 13 177.277 0.002 A 38 ALA CA C 13 54.329 0.086 A 38 ALA CB C 13 19.515 0.025 A 38 ALA N N 15 119.065 0.098 A 39 ASP H H 1 8.227 0.004 A 39 ASP HA H 1 4.613 0.003 A 39 ASP HBy H 1 2.897 0.003 A 39 ASP HBx H 1 2.465 0.011 A 39 ASP C C 13 176.150 0.000 A 39 ASP CA C 13 53.718 0.029 A 39 ASP CB C 13 38.660 0.038 A 39 ASP N N 15 116.841 0.028 A 40 ALA H H 1 8.234 0.003 A 40 ALA HA H 1 4.176 0.018 A 40 ALA HB% H 1 1.533 0.001 A 40 ALA C C 13 177.622 0.014 A 40 ALA CA C 13 54.476 0.039 A 40 ALA CB C 13 19.615 0.010 A 40 ALA N N 15 132.040 0.035 A 41 ASN H H 1 7.773 0.005 A 41 ASN HA H 1 4.787 0.004 A 41 ASN HBy H 1 3.290 0.005 A 41 ASN HBx H 1 2.831 0.004 A 41 ASN HD2y H 1 7.847 0.003 A 41 ASN HD2x H 1 6.763 0.004 A 41 ASN C C 13 174.023 0.010 A 41 ASN CA C 13 51.556 0.042 A 41 ASN CB C 13 36.952 0.071 A 41 ASN N N 15 112.590 0.016 A 41 ASN ND2 N 15 112.497 0.189 A 42 ALA H H 1 7.826 0.003 A 42 ALA HA H 1 3.995 0.000 A 42 ALA HB% H 1 1.371 0.002 A 42 ALA C C 13 175.449 0.028 A 42 ALA CA C 13 53.334 0.043 A 42 ALA CB C 13 17.114 0.029 A 42 ALA N N 15 120.067 0.069 A 43 ASP H H 1 8.054 0.004 A 43 ASP HA H 1 4.804 0.004 A 43 ASP HBy H 1 3.076 0.003 A 43 ASP HBx H 1 2.336 0.003 A 43 ASP C C 13 178.263 0.012 A 43 ASP CA C 13 52.957 0.031 A 43 ASP CB C 13 41.009 0.030 A 43 ASP N N 15 116.878 0.017 A 44 GLN H H 1 9.812 0.004 A 44 GLN HA H 1 3.813 0.004 A 44 GLN HBy H 1 2.431 0.011 A 44 GLN HBx H 1 2.301 0.013 A 44 GLN HE2y H 1 7.499 0.002 A 44 GLN HE2x H 1 6.668 0.004 A 44 GLN HGx H 1 2.263 0.007 A 44 GLN HGy H 1 2.439 0.000 A 44 GLN C C 13 173.903 0.059 A 44 GLN CA C 13 58.407 0.057 A 44 GLN CB C 13 25.863 0.066 A 44 GLN CG C 13 34.841 0.455 A 44 GLN N N 15 116.908 0.037 A 44 GLN NE2 N 15 112.057 0.164 A 45 HIS H H 1 8.297 0.005 A 45 HIS HA H 1 4.691 0.002 A 45 HIS HBy H 1 3.152 0.002 A 45 HIS HBx H 1 2.834 0.003 A 45 HIS C C 13 172.739 0.015 A 45 HIS CA C 13 54.059 0.030 A 45 HIS CB C 13 30.756 0.011 A 45 HIS N N 15 116.093 0.120 A 46 LEU H H 1 8.900 0.003 A 46 LEU HA H 1 5.390 0.004 A 46 LEU HBy H 1 1.768 0.006 A 46 LEU HBx H 1 1.667 0.015 A 46 LEU HDx% H 1 1.062 0.003 A 46 LEU HDy% H 1 0.993 0.006 A 46 LEU HG H 1 1.678 0.001 A 46 LEU C C 13 175.125 0.021 A 46 LEU CA C 13 53.152 0.080 A 46 LEU CB C 13 42.793 0.041 A 46 LEU CD1 C 13 26.765 0.019 A 46 LEU CD2 C 13 25.511 0.025 A 46 LEU CG C 13 27.569 0.018 A 46 LEU N N 15 127.499 0.036 A 47 ASP H H 1 9.149 0.005 A 47 ASP HA H 1 5.139 0.002 A 47 ASP HBy H 1 3.124 0.003 A 47 ASP HBx H 1 2.805 0.005 A 47 ASP C C 13 175.732 0.011 A 47 ASP CA C 13 54.130 0.032 A 47 ASP CB C 13 41.943 0.015 A 47 ASP N N 15 126.851 0.029 A 48 PHE H H 1 8.240 0.008 A 48 PHE HA H 1 3.546 0.001 A 48 PHE HBy H 1 2.755 0.007 A 48 PHE HBx H 1 2.511 0.003 A 48 PHE HD1 H 1 6.091 0.008 A 48 PHE HD2 H 1 6.091 0.008 A 48 PHE HE1 H 1 7.081 0.006 A 48 PHE HE2 H 1 7.081 0.006 A 48 PHE HZ H 1 7.250 0.005 A 48 PHE C C 13 175.740 0.011 A 48 PHE CA C 13 62.782 0.033 A 48 PHE CB C 13 38.672 0.107 A 48 PHE CD2 C 13 130.852 0.011 A 48 PHE CE2 C 13 129.559 0.023 A 48 PHE CZ C 13 128.629 0.005 A 48 PHE N N 15 119.637 0.123 A 49 ASP H H 1 8.548 0.002 A 49 ASP HA H 1 4.256 0.003 A 49 ASP HBy H 1 2.733 0.002 A 49 ASP HBx H 1 2.657 0.007 A 49 ASP C C 13 178.782 0.008 A 49 ASP CA C 13 58.069 0.021 A 49 ASP CB C 13 40.422 0.112 A 49 ASP N N 15 117.321 0.036 A 50 GLU H H 1 8.148 0.006 A 50 GLU HA H 1 4.024 0.008 A 50 GLU HBy H 1 2.626 0.006 A 50 GLU HBx H 1 2.429 0.014 A 50 GLU HGy H 1 2.940 0.005 A 50 GLU HGx H 1 2.344 0.004 A 50 GLU C C 13 179.413 0.002 A 50 GLU CA C 13 59.225 0.059 A 50 GLU CB C 13 29.976 0.166 A 50 GLU CG C 13 37.499 0.019 A 50 GLU N N 15 120.846 0.123 A 51 TRP H H 1 8.102 0.014 A 51 TRP HA H 1 4.102 0.009 A 51 TRP HBy H 1 3.247 0.012 A 51 TRP HBx H 1 3.130 0.003 A 51 TRP HD1 H 1 6.518 0.003 A 51 TRP HE1 H 1 9.973 0.005 A 51 TRP HE3 H 1 7.280 0.005 A 51 TRP HH2 H 1 7.086 0.003 A 51 TRP HZ2 H 1 7.201 0.006 A 51 TRP HZ3 H 1 6.701 0.002 A 51 TRP C C 13 174.989 0.008 A 51 TRP CA C 13 59.697 0.122 A 51 TRP CB C 13 30.331 0.146 A 51 TRP CD1 C 13 125.973 0.080 A 51 TRP CE3 C 13 119.129 0.087 A 51 TRP CH2 C 13 124.151 0.008 A 51 TRP CZ2 C 13 112.886 0.018 A 51 TRP CZ3 C 13 120.271 0.141 A 51 TRP N N 15 121.220 0.134 A 51 TRP NE1 N 15 127.701 0.000 A 52 ARG H H 1 8.829 0.002 A 52 ARG HA H 1 3.472 0.002 A 52 ARG HBy H 1 1.508 0.012 A 52 ARG HBx H 1 1.061 0.006 A 52 ARG HDy H 1 3.166 0.016 A 52 ARG HDx H 1 3.131 0.008 A 52 ARG HGx H 1 1.426 0.015 A 52 ARG C C 13 177.176 0.008 A 52 ARG CA C 13 59.421 0.124 A 52 ARG CB C 13 29.386 0.050 A 52 ARG CD C 13 43.735 0.019 A 52 ARG CG C 13 27.176 0.076 A 52 ARG N N 15 117.403 0.017 A 53 GLN H H 1 8.102 0.004 A 53 GLN HA H 1 3.928 0.006 A 53 GLN HBy H 1 2.165 0.009 A 53 GLN HBx H 1 2.055 0.005 A 53 GLN HE2y H 1 7.510 0.002 A 53 GLN HE2x H 1 6.801 0.004 A 53 GLN HGy H 1 2.506 0.020 A 53 GLN HGx H 1 2.436 0.009 A 53 GLN C C 13 177.910 0.052 A 53 GLN CA C 13 59.160 0.060 A 53 GLN CB C 13 28.214 0.145 A 53 GLN CG C 13 33.595 0.061 A 53 GLN N N 15 116.854 0.015 A 53 GLN NE2 N 15 111.199 0.143 A 54 GLU H H 1 7.335 0.004 A 54 GLU HA H 1 4.035 0.002 A 54 GLU HBy H 1 2.204 0.008 A 54 GLU HGy H 1 2.389 0.014 A 54 GLU HGx H 1 1.742 0.007 A 54 GLU C C 13 177.416 0.012 A 54 GLU CA C 13 58.554 0.038 A 54 GLU CB C 13 29.089 0.067 A 54 GLU CG C 13 35.662 0.024 A 54 GLU N N 15 118.214 0.041 A 55 LEU H H 1 7.808 0.003 A 55 LEU HA H 1 3.719 0.005 A 55 LEU HBy H 1 1.092 0.002 A 55 LEU HBx H 1 0.876 0.003 A 55 LEU HDx% H 1 -0.474 0.002 A 55 LEU HDy% H 1 -0.136 0.002 A 55 LEU HG H 1 0.606 0.003 A 55 LEU C C 13 179.531 0.001 A 55 LEU CA C 13 58.197 0.074 A 55 LEU CB C 13 40.950 0.016 A 55 LEU CD1 C 13 23.796 0.026 A 55 LEU CD2 C 13 22.981 0.033 A 55 LEU CG C 13 28.960 0.037 A 55 LEU N N 15 117.158 0.046 A 56 LYS H H 1 9.053 0.002 A 56 LYS HA H 1 4.152 0.004 A 56 LYS HBx H 1 1.847 0.002 A 56 LYS HDy H 1 1.692 0.013 A 56 LYS HDx H 1 1.613 0.008 A 56 LYS HEy H 1 2.989 0.010 A 56 LYS HEx H 1 2.929 0.005 A 56 LYS HGx H 1 1.468 0.008 A 56 LYS C C 13 180.894 0.006 A 56 LYS CA C 13 59.120 0.039 A 56 LYS CB C 13 30.939 0.041 A 56 LYS CD C 13 28.092 0.060 A 56 LYS CE C 13 41.663 0.026 A 56 LYS CG C 13 24.578 0.084 A 56 LYS N N 15 122.361 0.041 A 57 CYS H H 1 7.613 0.003 A 57 CYS HA H 1 4.272 0.002 A 57 CYS HBy H 1 3.110 0.003 A 57 CYS HBx H 1 3.028 0.002 A 57 CYS C C 13 175.341 0.043 A 57 CYS CA C 13 62.333 0.076 A 57 CYS CB C 13 26.138 0.020 A 57 CYS N N 15 119.075 0.035 A 58 ARG H H 1 7.015 0.004 A 58 ARG HA H 1 4.284 0.001 A 58 ARG HBy H 1 2.501 0.007 A 58 ARG HBx H 1 1.510 0.003 A 58 ARG HDy H 1 3.323 0.005 A 58 ARG HDx H 1 2.685 0.007 A 58 ARG HGx H 1 1.642 0.014 A 58 ARG HGy H 1 1.717 0.006 A 58 ARG C C 13 175.407 0.008 A 58 ARG CA C 13 56.137 0.024 A 58 ARG CB C 13 31.128 0.062 A 58 ARG CD C 13 43.396 0.028 A 58 ARG CG C 13 28.961 0.015 A 58 ARG N N 15 117.365 0.020 A 59 GLY H H 1 7.709 0.004 A 59 GLY HAy H 1 4.069 0.008 A 59 GLY HAx H 1 3.763 0.006 A 59 GLY C C 13 174.308 0.020 A 59 GLY CA C 13 45.858 0.285 A 59 GLY N N 15 106.720 0.047 A 60 HIS H H 1 7.755 0.003 A 60 HIS HA H 1 4.358 0.013 A 60 HIS HBy H 1 2.932 0.007 A 60 HIS HBx H 1 2.518 0.011 A 60 HIS HD2 H 1 6.893 0.001 A 60 HIS C C 13 173.943 0.013 A 60 HIS CA C 13 56.935 0.026 A 60 HIS CB C 13 31.979 0.023 A 60 HIS CD2 C 13 117.483 0.073 A 60 HIS N N 15 119.631 0.030 A 61 ALA H H 1 9.006 0.001 A 61 ALA HA H 1 4.401 0.003 A 61 ALA HB% H 1 1.568 0.001 A 61 ALA C C 13 178.070 0.033 A 61 ALA CA C 13 51.535 0.052 A 61 ALA CB C 13 19.539 0.011 A 61 ALA N N 15 124.465 0.027 A 62 ASP H H 1 8.821 0.003 A 62 ASP HA H 1 4.352 0.006 A 62 ASP HBy H 1 2.771 0.003 A 62 ASP HBx H 1 2.622 0.002 A 62 ASP C C 13 177.766 0.004 A 62 ASP CA C 13 58.374 0.029 A 62 ASP CB C 13 40.571 0.026 A 62 ASP N N 15 122.759 0.034 A 63 ALA H H 1 8.954 0.002 A 63 ALA HA H 1 4.210 0.002 A 63 ALA HB% H 1 1.452 0.002 A 63 ALA C C 13 179.880 0.002 A 63 ALA CA C 13 55.418 0.039 A 63 ALA CB C 13 18.429 0.021 A 63 ALA N N 15 119.694 0.028 A 64 ASP H H 1 7.099 0.004 A 64 ASP HA H 1 4.653 0.002 A 64 ASP HBx H 1 2.899 0.001 A 64 ASP C C 13 176.980 0.002 A 64 ASP CA C 13 57.036 0.028 A 64 ASP CB C 13 41.202 0.031 A 64 ASP N N 15 117.916 0.022 A 65 ILE H H 1 8.080 0.002 A 65 ILE HA H 1 3.586 0.001 A 65 ILE HB H 1 2.235 0.005 A 65 ILE HD1% H 1 0.691 0.007 A 65 ILE HG1y H 1 1.851 0.005 A 65 ILE HG1x H 1 0.674 0.011 A 65 ILE HG2% H 1 0.925 0.004 A 65 ILE C C 13 178.703 0.016 A 65 ILE CA C 13 66.401 0.069 A 65 ILE CB C 13 38.499 0.033 A 65 ILE CD1 C 13 13.775 0.118 A 65 ILE CG1 C 13 28.952 0.025 A 65 ILE CG2 C 13 18.163 0.088 A 65 ILE N N 15 120.397 0.063 A 66 GLU H H 1 8.165 0.006 A 66 GLU HA H 1 4.387 0.004 A 66 GLU HBy H 1 2.273 0.005 A 66 GLU HBx H 1 2.086 0.008 A 66 GLU HGx H 1 2.365 0.002 A 66 GLU C C 13 177.375 0.028 A 66 GLU CA C 13 59.366 0.051 A 66 GLU CB C 13 30.049 0.176 A 66 GLU CG C 13 35.698 0.019 A 66 GLU N N 15 117.963 0.086 A 67 ALA H H 1 8.077 0.007 A 67 ALA HA H 1 4.236 0.004 A 67 ALA HB% H 1 1.651 0.000 A 67 ALA C C 13 180.744 0.000 A 67 ALA CA C 13 55.636 0.068 A 67 ALA CB C 13 18.831 0.020 A 67 ALA N N 15 120.960 0.097 A 68 VAL H H 1 8.372 0.002 A 68 VAL HA H 1 3.888 0.003 A 68 VAL HB H 1 2.402 0.002 A 68 VAL HGx% H 1 1.350 0.003 A 68 VAL HGy% H 1 1.358 0.003 A 68 VAL C C 13 175.871 0.022 A 68 VAL CA C 13 66.475 0.068 A 68 VAL CB C 13 32.470 0.029 A 68 VAL CG1 C 13 23.373 0.041 A 68 VAL CG2 C 13 22.456 0.041 A 68 VAL N N 15 117.138 0.043 A 69 PHE H H 1 7.302 0.004 A 69 PHE HA H 1 3.349 0.003 A 69 PHE HBy H 1 3.270 0.011 A 69 PHE HBx H 1 2.999 0.004 A 69 PHE HD1 H 1 6.274 0.001 A 69 PHE HD2 H 1 6.274 0.001 A 69 PHE HE1 H 1 6.883 0.010 A 69 PHE HE2 H 1 6.883 0.010 A 69 PHE HZ H 1 6.953 0.000 A 69 PHE C C 13 176.386 0.007 A 69 PHE CA C 13 62.485 0.019 A 69 PHE CB C 13 40.002 0.020 A 69 PHE CD2 C 13 131.426 0.018 A 69 PHE CE2 C 13 129.542 0.021 A 69 PHE CZ C 13 128.067 0.017 A 69 PHE N N 15 118.918 0.034 A 70 ALA H H 1 8.567 0.001 A 70 ALA HA H 1 4.118 0.002 A 70 ALA HB% H 1 1.538 0.001 A 70 ALA C C 13 179.117 0.002 A 70 ALA CA C 13 54.509 0.038 A 70 ALA CB C 13 18.233 0.022 A 70 ALA N N 15 116.542 0.026 A 71 LYS H H 1 7.352 0.003 A 71 LYS HA H 1 3.768 0.003 A 71 LYS HBx H 1 1.701 0.000 A 71 LYS HDy H 1 1.512 0.001 A 71 LYS HDx H 1 1.445 0.004 A 71 LYS HEy H 1 2.818 0.002 A 71 LYS HEx H 1 2.773 0.007 A 71 LYS HGy H 1 0.976 0.001 A 71 LYS HGx H 1 0.365 0.002 A 71 LYS C C 13 176.435 0.012 A 71 LYS CA C 13 58.544 0.085 A 71 LYS CB C 13 32.317 0.033 A 71 LYS CD C 13 29.392 0.014 A 71 LYS CE C 13 42.242 0.024 A 71 LYS CG C 13 24.597 0.073 A 71 LYS N N 15 116.072 0.018 A 72 TYR H H 1 6.797 0.005 A 72 TYR HA H 1 4.243 0.002 A 72 TYR HBy H 1 3.015 0.004 A 72 TYR HBx H 1 2.130 0.008 A 72 TYR HD1 H 1 7.439 0.003 A 72 TYR HD2 H 1 7.439 0.003 A 72 TYR HE1 H 1 6.739 0.004 A 72 TYR HE2 H 1 6.739 0.004 A 72 TYR C C 13 174.345 0.008 A 72 TYR CA C 13 59.557 0.022 A 72 TYR CB C 13 39.485 0.195 A 72 TYR CD2 C 13 133.183 0.004 A 72 TYR CE2 C 13 115.912 0.003 A 72 TYR N N 15 113.508 0.026 A 73 ASP H H 1 7.467 0.002 A 73 ASP HA H 1 4.600 0.004 A 73 ASP HBy H 1 2.577 0.003 A 73 ASP HBx H 1 1.785 0.001 A 73 ASP C C 13 177.003 0.026 A 73 ASP CA C 13 52.501 0.036 A 73 ASP CB C 13 39.143 0.181 A 73 ASP N N 15 121.763 0.021 A 74 VAL H H 1 7.806 0.005 A 74 VAL HA H 1 3.694 0.001 A 74 VAL HB H 1 2.147 0.002 A 74 VAL HGx% H 1 0.960 0.004 A 74 VAL HGy% H 1 1.045 0.009 A 74 VAL C C 13 177.063 0.144 A 74 VAL CA C 13 65.443 0.059 A 74 VAL CB C 13 31.830 0.034 A 74 VAL CG1 C 13 21.612 0.024 A 74 VAL CG2 C 13 21.237 0.048 A 74 VAL N N 15 123.097 0.023 A 75 ASP H H 1 7.994 0.005 A 75 ASP HA H 1 4.591 0.002 A 75 ASP HBy H 1 3.016 0.004 A 75 ASP HBx H 1 2.611 0.003 A 75 ASP C C 13 177.265 0.004 A 75 ASP CA C 13 52.888 0.036 A 75 ASP CB C 13 39.712 0.057 A 75 ASP N N 15 115.890 0.020 A 76 GLY H H 1 7.494 0.003 A 76 GLY HAy H 1 3.877 0.001 A 76 GLY HAx H 1 3.800 0.003 A 76 GLY C C 13 174.058 0.007 A 76 GLY CA C 13 47.482 0.128 A 76 GLY N N 15 108.483 0.013 A 77 ASP H H 1 8.169 0.003 A 77 ASP HA H 1 4.482 0.003 A 77 ASP HBy H 1 3.005 0.008 A 77 ASP HBx H 1 2.387 0.002 A 77 ASP C C 13 175.620 0.007 A 77 ASP CA C 13 53.702 0.028 A 77 ASP CB C 13 40.157 0.099 A 77 ASP N N 15 120.352 0.039 A 78 ARG H H 1 10.455 0.003 A 78 ARG HA H 1 3.867 0.007 A 78 ARG HBy H 1 2.323 0.003 A 78 ARG HBx H 1 2.120 0.014 A 78 ARG HDx H 1 3.061 0.006 A 78 ARG HGy H 1 1.689 0.008 A 78 ARG HGx H 1 1.592 0.005 A 78 ARG C C 13 174.695 0.059 A 78 ARG CA C 13 55.788 0.084 A 78 ARG CB C 13 25.034 0.078 A 78 ARG CD C 13 41.654 0.032 A 78 ARG CG C 13 26.015 0.014 A 78 ARG N N 15 115.656 0.045 A 79 VAL H H 1 8.031 0.004 A 79 VAL HA H 1 4.678 0.002 A 79 VAL HB H 1 2.057 0.004 A 79 VAL HGx% H 1 0.772 0.003 A 79 VAL HGy% H 1 0.882 0.001 A 79 VAL C C 13 174.286 0.010 A 79 VAL CA C 13 61.194 0.335 A 79 VAL CB C 13 36.221 0.043 A 79 VAL CG1 C 13 22.502 0.041 A 79 VAL CG2 C 13 21.651 0.024 A 79 VAL N N 15 118.797 0.040 A 80 LEU H H 1 9.281 0.003 A 80 LEU HA H 1 5.448 0.004 A 80 LEU HBy H 1 1.851 0.001 A 80 LEU HBx H 1 0.922 0.003 A 80 LEU HDx% H 1 0.014 0.002 A 80 LEU HDy% H 1 -0.036 0.001 A 80 LEU HG H 1 0.987 0.004 A 80 LEU C C 13 176.805 0.012 A 80 LEU CA C 13 52.343 0.112 A 80 LEU CB C 13 42.241 0.023 A 80 LEU CD1 C 13 25.879 0.030 A 80 LEU CD2 C 13 22.400 0.033 A 80 LEU CG C 13 25.617 0.110 A 80 LEU N N 15 126.993 0.042 A 81 ASP H H 1 9.641 0.005 A 81 ASP HA H 1 4.399 0.003 A 81 ASP HBy H 1 3.207 0.002 A 81 ASP HBx H 1 2.714 0.006 A 81 ASP C C 13 174.998 0.011 A 81 ASP CA C 13 52.548 0.033 A 81 ASP CB C 13 40.266 0.025 A 81 ASP N N 15 130.050 0.037 A 82 ALA H H 1 8.685 0.004 A 82 ALA HA H 1 3.877 0.004 A 82 ALA HB% H 1 1.429 0.000 A 82 ALA C C 13 179.744 0.008 A 82 ALA CA C 13 56.312 0.094 A 82 ALA CB C 13 18.493 0.028 A 82 ALA N N 15 120.186 0.021 A 83 GLU H H 1 8.059 0.005 A 83 GLU HA H 1 4.057 0.006 A 83 GLU HBy H 1 2.228 0.001 A 83 GLU HBx H 1 2.138 0.004 A 83 GLU HGx H 1 2.288 0.004 A 83 GLU C C 13 179.015 0.010 A 83 GLU CA C 13 59.688 0.026 A 83 GLU CB C 13 29.435 0.105 A 83 GLU CG C 13 36.674 0.003 A 83 GLU N N 15 119.451 0.062 A 84 GLU H H 1 8.833 0.002 A 84 GLU HA H 1 4.195 0.002 A 84 GLU HBy H 1 2.225 0.005 A 84 GLU HBx H 1 2.057 0.007 A 84 GLU HGy H 1 2.828 0.007 A 84 GLU HGx H 1 2.435 0.002 A 84 GLU C C 13 179.925 0.005 A 84 GLU CA C 13 59.125 0.033 A 84 GLU CB C 13 30.051 0.044 A 84 GLU CG C 13 37.347 0.038 A 84 GLU N N 15 122.603 0.023 A 85 GLN H H 1 8.661 0.003 A 85 GLN HA H 1 3.646 0.002 A 85 GLN HBy H 1 2.141 0.016 A 85 GLN HBx H 1 2.022 0.017 A 85 GLN HE2y H 1 7.595 0.001 A 85 GLN HE2x H 1 6.581 0.005 A 85 GLN HGy H 1 2.375 0.009 A 85 GLN HGx H 1 1.771 0.012 A 85 GLN C C 13 177.177 0.004 A 85 GLN CA C 13 59.672 0.043 A 85 GLN CB C 13 30.205 0.146 A 85 GLN CG C 13 35.836 0.053 A 85 GLN N N 15 116.738 0.026 A 85 GLN NE2 N 15 110.840 0.245 A 86 MET H H 1 7.863 0.003 A 86 MET HA H 1 4.121 0.003 A 86 MET HBy H 1 2.222 0.002 A 86 MET HBx H 1 2.134 0.004 A 86 MET HGy H 1 2.624 0.007 A 86 MET HGx H 1 2.507 0.010 A 86 MET C C 13 178.198 0.048 A 86 MET CA C 13 58.602 0.017 A 86 MET CB C 13 32.195 0.161 A 86 MET CG C 13 32.063 0.073 A 86 MET N N 15 119.303 0.026 A 87 LYS H H 1 7.971 0.002 A 87 LYS HA H 1 4.080 0.007 A 87 LYS HBy H 1 2.109 0.005 A 87 LYS HBx H 1 2.042 0.007 A 87 LYS HDx H 1 1.794 0.005 A 87 LYS HEx H 1 3.048 0.003 A 87 LYS HGx H 1 1.621 0.013 A 87 LYS C C 13 178.301 0.026 A 87 LYS CA C 13 59.559 0.042 A 87 LYS CB C 13 32.134 0.061 A 87 LYS CD C 13 28.933 0.059 A 87 LYS CE C 13 42.414 0.079 A 87 LYS CG C 13 25.840 0.093 A 87 LYS N N 15 120.999 0.020 A 88 MET H H 1 7.725 0.007 A 88 MET HA H 1 3.152 0.004 A 88 MET HBy H 1 1.759 0.003 A 88 MET HBx H 1 1.247 0.002 A 88 MET HGy H 1 1.644 0.003 A 88 MET HGx H 1 1.117 0.005 A 88 MET C C 13 176.828 0.007 A 88 MET CA C 13 59.516 0.046 A 88 MET CB C 13 33.035 0.051 A 88 MET CG C 13 29.795 0.064 A 88 MET N N 15 120.163 0.117 A 89 ALA H H 1 8.520 0.002 A 89 ALA HA H 1 3.816 0.003 A 89 ALA HB% H 1 1.460 0.001 A 89 ALA C C 13 179.877 0.004 A 89 ALA CA C 13 55.585 0.019 A 89 ALA CB C 13 17.914 0.027 A 89 ALA N N 15 120.452 0.021 A 90 HIS H H 1 8.152 0.005 A 90 HIS HA H 1 4.399 0.000 A 90 HIS HBx H 1 3.371 0.003 A 90 HIS HD2 H 1 7.361 0.001 A 90 HIS C C 13 177.237 0.020 A 90 HIS CA C 13 58.572 0.027 A 90 HIS CB C 13 28.553 0.020 A 90 HIS CD2 C 13 119.007 0.144 A 90 HIS N N 15 115.747 0.049 A 91 ASP H H 1 8.333 0.003 A 91 ASP HA H 1 4.505 0.004 A 91 ASP HBy H 1 3.035 0.004 A 91 ASP HBx H 1 2.807 0.006 A 91 ASP C C 13 178.749 0.006 A 91 ASP CA C 13 57.189 0.023 A 91 ASP CB C 13 40.544 0.023 A 91 ASP N N 15 122.050 0.029 A 92 LEU H H 1 8.593 0.003 A 92 LEU HA H 1 4.008 0.007 A 92 LEU HBy H 1 1.869 0.013 A 92 LEU HBx H 1 1.342 0.003 A 92 LEU HDx% H 1 0.769 0.002 A 92 LEU HDy% H 1 0.900 0.001 A 92 LEU HG H 1 1.855 0.023 A 92 LEU C C 13 177.901 0.004 A 92 LEU CA C 13 57.871 0.047 A 92 LEU CB C 13 41.528 0.039 A 92 LEU CD1 C 13 26.833 0.009 A 92 LEU CD2 C 13 22.553 0.038 A 92 LEU CG C 13 26.918 0.122 A 92 LEU N N 15 119.993 0.038 A 93 GLU H H 1 7.818 0.003 A 93 GLU HA H 1 3.991 0.009 A 93 GLU HBx H 1 2.044 0.007 A 93 GLU HGx H 1 2.318 0.001 A 93 GLU C C 13 178.558 0.004 A 93 GLU CA C 13 58.924 0.023 A 93 GLU CB C 13 29.191 0.099 A 93 GLU CG C 13 35.497 0.018 A 93 GLU N N 15 118.549 0.018 A 94 GLY H H 1 7.838 0.003 A 94 GLY HAy H 1 3.979 0.004 A 94 GLY HAx H 1 3.917 0.001 A 94 GLY C C 13 175.242 0.001 A 94 GLY CA C 13 46.744 0.025 A 94 GLY N N 15 106.996 0.017 A 95 GLN H H 1 8.022 0.002 A 95 GLN HA H 1 4.228 0.005 A 95 GLN HBx H 1 2.135 0.003 A 95 GLN HE2y H 1 7.412 0.006 A 95 GLN HE2x H 1 6.772 0.009 A 95 GLN HGy H 1 2.488 0.008 A 95 GLN HGx H 1 2.372 0.015 A 95 GLN C C 13 177.468 0.008 A 95 GLN CA C 13 57.927 0.211 A 95 GLN CB C 13 29.300 0.112 A 95 GLN CG C 13 34.277 0.049 A 95 GLN N N 15 120.723 0.028 A 95 GLN NE2 N 15 111.565 0.138 A 96 LYS H H 1 8.360 0.002 A 96 LYS HA H 1 3.966 0.002 A 96 LYS HBy H 1 1.980 0.002 A 96 LYS HBx H 1 1.861 0.010 A 96 LYS HDy H 1 1.758 0.005 A 96 LYS HDx H 1 1.650 0.005 A 96 LYS HEy H 1 2.977 0.002 A 96 LYS HEx H 1 2.913 0.004 A 96 LYS HGy H 1 1.498 0.014 A 96 LYS HGx H 1 1.415 0.005 A 96 LYS C C 13 177.012 0.012 A 96 LYS CA C 13 59.145 0.104 A 96 LYS CB C 13 32.530 0.062 A 96 LYS CD C 13 29.189 0.037 A 96 LYS CE C 13 41.746 0.004 A 96 LYS CG C 13 25.205 0.061 A 96 LYS N N 15 120.649 0.022 A 97 SER H H 1 8.189 0.003 A 97 SER HA H 1 4.323 0.001 A 97 SER HBy H 1 4.003 0.003 A 97 SER HBx H 1 3.956 0.005 A 97 SER C C 13 175.141 0.019 A 97 SER CA C 13 60.369 0.064 A 97 SER CB C 13 63.300 0.046 A 97 SER N N 15 114.589 0.103 A 98 ASP H H 1 8.084 0.004 A 98 ASP HA H 1 4.552 0.005 A 98 ASP HBx H 1 2.746 0.001 A 98 ASP C C 13 177.274 0.013 A 98 ASP CA C 13 56.143 0.041 A 98 ASP CB C 13 40.952 0.012 A 98 ASP N N 15 121.767 0.039 A 99 LEU H H 1 7.976 0.004 A 99 LEU HA H 1 4.172 0.003 A 99 LEU HBy H 1 1.784 0.004 A 99 LEU HBx H 1 1.451 0.004 A 99 LEU HDx% H 1 0.888 0.007 A 99 LEU HDy% H 1 0.870 0.004 A 99 LEU HG H 1 1.767 0.012 A 99 LEU C C 13 177.628 0.055 A 99 LEU CA C 13 57.048 0.057 A 99 LEU CB C 13 42.017 0.056 A 99 LEU CD1 C 13 23.365 0.042 A 99 LEU CD2 C 13 25.591 0.029 A 99 LEU CG C 13 27.067 0.040 A 99 LEU N N 15 120.708 0.025 A 100 ASN H H 1 8.403 0.005 A 100 ASN HA H 1 4.597 0.003 A 100 ASN HBx H 1 2.850 0.007 A 100 ASN HD2y H 1 7.595 0.002 A 100 ASN HD2x H 1 6.893 0.006 A 100 ASN C C 13 176.322 0.006 A 100 ASN CA C 13 54.742 0.053 A 100 ASN CB C 13 38.248 0.107 A 100 ASN N N 15 117.979 0.072 A 100 ASN ND2 N 15 111.135 0.187 A 101 ASN H H 1 8.213 0.001 A 101 ASN HA H 1 4.631 0.006 A 101 ASN HBx H 1 2.895 0.002 A 101 ASN HD2y H 1 7.702 0.002 A 101 ASN HD2x H 1 6.892 0.003 A 101 ASN C C 13 175.721 0.020 A 101 ASN CA C 13 54.642 0.057 A 101 ASN CB C 13 38.481 0.023 A 101 ASN N N 15 119.113 0.030 A 101 ASN ND2 N 15 112.455 0.190 A 102 GLN H H 1 8.163 0.004 A 102 GLN HA H 1 4.225 0.002 A 102 GLN HBx H 1 2.141 0.002 A 102 GLN HE2y H 1 7.240 0.008 A 102 GLN HE2x H 1 6.741 0.005 A 102 GLN HGy H 1 2.518 0.025 A 102 GLN HGx H 1 2.375 0.014 A 102 GLN C C 13 176.870 0.018 A 102 GLN CA C 13 57.481 0.013 A 102 GLN CB C 13 29.399 0.040 A 102 GLN CG C 13 34.250 0.000 A 102 GLN N N 15 120.008 0.040 A 102 GLN NE2 N 15 110.387 0.165 A 103 LEU H H 1 8.287 0.002 A 103 LEU HA H 1 4.209 0.007 A 103 LEU HBy H 1 1.761 0.003 A 103 LEU HBx H 1 1.563 0.005 A 103 LEU HDx% H 1 0.866 0.005 A 103 LEU HDy% H 1 0.887 0.005 A 103 LEU HG H 1 1.664 0.006 A 103 LEU C C 13 177.379 0.133 A 103 LEU CA C 13 56.212 0.041 A 103 LEU CB C 13 42.200 0.020 A 103 LEU CD1 C 13 25.205 0.078 A 103 LEU CD2 C 13 23.692 0.037 A 103 LEU CG C 13 27.192 0.037 A 103 LEU N N 15 121.333 0.049 A 104 ALA H H 1 7.949 0.005 A 104 ALA HA H 1 4.251 0.002 A 104 ALA HB% H 1 1.437 0.003 A 104 ALA C C 13 177.573 0.008 A 104 ALA CA C 13 53.281 0.040 A 104 ALA CB C 13 18.990 0.022 A 104 ALA N N 15 122.897 0.023 A 105 GLU H H 1 7.961 0.008 A 105 GLU HA H 1 4.278 0.002 A 105 GLU HBy H 1 2.104 0.007 A 105 GLU HBx H 1 1.987 0.013 A 105 GLU HGy H 1 2.357 0.006 A 105 GLU HGx H 1 2.273 0.005 A 105 GLU C C 13 175.855 0.008 A 105 GLU CA C 13 56.654 0.097 A 105 GLU CB C 13 30.095 0.016 A 105 GLU CG C 13 36.229 0.050 A 105 GLU N N 15 117.921 0.033 A 106 LEU H H 1 7.919 0.011 A 106 LEU HA H 1 4.345 0.003 A 106 LEU HBy H 1 1.639 0.033 A 106 LEU HBx H 1 1.532 0.001 A 106 LEU HDx% H 1 0.870 0.007 A 106 LEU HDy% H 1 0.826 0.004 A 106 LEU HG H 1 1.546 0.002 A 106 LEU C C 13 176.249 0.543 A 106 LEU CA C 13 55.314 0.092 A 106 LEU CB C 13 42.585 0.030 A 106 LEU CD1 C 13 25.368 0.026 A 106 LEU CD2 C 13 23.448 0.083 A 106 LEU CG C 13 26.998 0.075 A 106 LEU N N 15 121.805 0.035 A 107 GLU H H 1 7.786 0.004 A 107 GLU HA H 1 4.105 0.004 A 107 GLU HBy H 1 2.046 0.014 A 107 GLU HBx H 1 1.917 0.011 A 107 GLU HGx H 1 2.232 0.001 A 107 GLU C C 13 180.512 0.000 A 107 GLU CA C 13 58.056 0.047 A 107 GLU CB C 13 31.180 0.063 A 107 GLU CG C 13 36.447 0.091 A 107 GLU N N 15 125.864 0.027 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 45 HIS H A 45 HIS HD2 1.0 1.8 7.50 2 2 A 13 GLY H A 14 LEU H 1.0 1.8 6.42 3 3 A 14 LEU H A 13 GLY HAx 1.0 1.8 4.97 4 3 A 14 LEU H A 13 GLY HAy 1.0 1.8 4.97 5 4 A 14 LEU H A 14 LEU HG 1.0 1.8 4.89 6 5 A 14 LEU H A 14 LEU HDx% 1.0 1.8 5.92 7 5 A 14 LEU H A 14 LEU HDy% 1.0 1.8 5.92 8 6 A 56 LYS H A 59 GLY H 1.0 1.8 7.47 9 7 A 59 GLY H A 58 ARG H 1.0 1.8 5.73 10 8 A 59 GLY H A 58 ARG HDy 1.0 1.8 7.50 11 8 A 59 GLY H A 58 ARG HDx 1.0 1.8 7.50 12 9 A 59 GLY H A 58 ARG HDy 1.0 1.8 7.50 13 9 A 59 GLY H A 58 ARG HDx 1.0 1.8 7.50 14 10 A 59 GLY H A 58 ARG HBy 1.0 1.8 7.12 15 10 A 59 GLY H A 58 ARG HBx 1.0 1.8 7.12 16 11 A 59 GLY H A 60 HIS HBy 1.0 1.8 7.50 17 11 A 59 GLY H A 60 HIS HBx 1.0 1.8 7.50 18 12 A 59 GLY H A 58 ARG HBy 1.0 1.8 6.51 19 12 A 59 GLY H A 58 ARG HBx 1.0 1.8 6.51 20 13 A 59 GLY H A 58 ARG HGx 1.0 1.8 6.63 21 13 A 59 GLY H A 58 ARG HGy 1.0 1.8 6.63 22 14 A 59 GLY H A 55 LEU HBy 1.0 1.8 7.50 23 14 A 59 GLY H A 55 LEU HBx 1.0 1.8 7.50 24 15 A 92 LEU H A 94 GLY H 1.0 1.8 7.28 25 16 A 94 GLY H A 95 GLN HE2y 1.0 1.8 7.50 26 17 A 94 GLY H A 94 GLY HAy 1.0 1.8 4.92 27 17 A 94 GLY H A 94 GLY HAx 1.0 1.8 4.92 28 18 A 94 GLY H A 91 ASP HBy 1.0 1.8 7.50 29 18 A 94 GLY H A 91 ASP HBx 1.0 1.8 7.50 30 19 A 94 GLY H A 95 GLN HGy 1.0 1.8 7.35 31 19 A 94 GLY H A 95 GLN HGx 1.0 1.8 7.35 32 20 A 94 GLY H A 92 LEU HBy 1.0 1.8 7.50 33 20 A 94 GLY H A 92 LEU HBx 1.0 1.8 7.50 34 21 A 94 GLY H A 28 ILE HG2% 1.0 1.8 7.10 35 22 A 94 GLY H A 28 ILE HD1% 1.0 1.8 7.50 36 23 A 76 GLY H A 78 ARG H 1.0 1.8 6.68 37 24 A 76 GLY H A 75 ASP HBy 1.0 1.8 6.58 38 24 A 76 GLY H A 75 ASP HBx 1.0 1.8 6.58 39 25 A 76 GLY H A 73 ASP HBy 1.0 1.8 6.55 40 25 A 76 GLY H A 73 ASP HBx 1.0 1.8 6.55 41 26 A 76 GLY H A 77 ASP HBy 1.0 1.8 7.21 42 26 A 76 GLY H A 77 ASP HBx 1.0 1.8 7.21 43 27 A 17 ARG HA A 18 GLY H 1.0 1.8 5.53 44 28 A 18 GLY H A 17 ARG HDx 1.0 1.8 7.50 45 28 A 18 GLY H A 17 ARG HDy 1.0 1.8 7.50 46 29 A 18 GLY H A 17 ARG HBx 1.0 1.8 7.04 47 29 A 18 GLY H A 17 ARG HBy 1.0 1.8 7.04 48 30 A 18 GLY H A 17 ARG HBx 1.0 1.8 7.43 49 30 A 18 GLY H A 17 ARG HBy 1.0 1.8 7.43 50 31 A 95 GLN HE2x A 95 GLN HBx 1.0 1.8 7.50 51 31 A 95 GLN HBy A 95 GLN HE2x 1.0 1.8 7.50 52 32 A 96 LYS HA A 100 ASN HD2y 1.0 1.8 6.71 53 33 A 39 ASP HA A 41 ASN H 1.0 1.8 6.15 54 34 A 41 ASN H A 41 ASN HBy 1.0 1.8 5.99 55 34 A 41 ASN H A 41 ASN HBx 1.0 1.8 5.99 56 35 A 41 ASN H A 41 ASN HBy 1.0 1.8 5.79 57 35 A 41 ASN H A 41 ASN HBx 1.0 1.8 5.79 58 36 A 41 ASN H A 40 ALA HB% 1.0 1.8 5.41 59 37 A 41 ASN H A 40 ALA H 1.0 1.8 5.44 60 38 A 41 ASN H A 43 ASP H 1.0 1.8 6.44 61 39 A 72 TYR H A 73 ASP H 1.0 1.8 5.28 62 40 A 72 TYR H A 70 ALA H 1.0 1.8 7.28 63 41 A 72 TYR H A 73 ASP HA 1.0 1.8 7.35 64 42 A 72 TYR H A 69 PHE HA 1.0 1.8 7.10 65 43 A 72 TYR H A 72 TYR HBy 1.0 1.8 5.93 66 43 A 72 TYR H A 72 TYR HBx 1.0 1.8 5.93 67 44 A 72 TYR H A 71 LYS HEy 1.0 1.8 7.50 68 44 A 72 TYR H A 71 LYS HEx 1.0 1.8 7.50 69 45 A 72 TYR H A 72 TYR HBy 1.0 1.8 5.80 70 45 A 72 TYR H A 72 TYR HBx 1.0 1.8 5.80 71 46 A 72 TYR H A 71 LYS HBx 1.0 1.8 5.56 72 46 A 72 TYR H A 71 LYS HBy 1.0 1.8 5.56 73 47 A 72 TYR H A 71 LYS HGy 1.0 1.8 6.58 74 47 A 72 TYR H A 71 LYS HGx 1.0 1.8 6.58 75 48 A 72 TYR H A 80 LEU HDx% 1.0 1.8 6.32 76 48 A 72 TYR H A 80 LEU HDy% 1.0 1.8 6.32 77 49 A 34 ALA HA A 37 HIS H 1.0 1.8 6.35 78 50 A 37 HIS H A 37 HIS HBy 1.0 1.8 5.77 79 50 A 37 HIS H A 37 HIS HBx 1.0 1.8 5.77 80 51 A 37 HIS H A 37 HIS HBy 1.0 1.8 5.65 81 51 A 37 HIS H A 37 HIS HBx 1.0 1.8 5.65 82 52 A 37 HIS H A 54 GLU HGy 1.0 1.8 7.21 83 52 A 37 HIS H A 54 GLU HGx 1.0 1.8 7.21 84 53 A 37 HIS H A 54 GLU HGy 1.0 1.8 7.02 85 53 A 37 HIS H A 54 GLU HGx 1.0 1.8 7.02 86 54 A 37 HIS H A 38 ALA HB% 1.0 1.8 6.15 87 55 A 37 HIS H A 36 ALA HB% 1.0 1.8 5.70 88 56 A 23 SER H A 25 ARG HDx 1.0 1.8 7.50 89 56 A 23 SER H A 25 ARG HDy 1.0 1.8 7.50 90 57 A 23 SER H A 22 ALA HB% 1.0 1.8 5.54 91 58 A 23 SER H A 23 SER HBy 1.0 1.8 5.48 92 58 A 23 SER H A 23 SER HBx 1.0 1.8 5.48 93 59 A 23 SER H A 21 MET HGy 1.0 1.8 7.50 94 59 A 23 SER H A 21 MET HGx 1.0 1.8 7.50 95 60 A 90 HIS H A 90 HIS HBx 1.0 1.8 5.05 96 60 A 90 HIS H A 90 HIS HBy 1.0 1.8 5.05 97 61 A 90 HIS H A 91 ASP HBy 1.0 1.8 7.29 98 61 A 91 ASP HBx A 90 HIS H 1.0 1.8 7.29 99 62 A 90 HIS H A 89 ALA HB% 1.0 1.8 5.39 100 63 A 90 HIS H A 88 MET HA 1.0 1.8 6.89 101 64 A 90 HIS H A 87 LYS HA 1.0 1.8 6.18 102 65 A 90 HIS H A 89 ALA H 1.0 1.8 5.67 103 66 A 90 HIS H A 88 MET H 1.0 1.8 6.59 104 67 A 74 VAL H A 75 ASP H 1.0 1.8 5.57 105 68 A 76 GLY H A 75 ASP H 1.0 1.8 5.33 106 69 A 68 VAL H A 71 LYS H 1.0 1.8 7.50 107 70 A 70 ALA H A 71 LYS H 1.0 1.8 5.85 108 71 A 72 TYR H A 71 LYS H 1.0 1.8 5.67 109 72 A 71 LYS H A 71 LYS HEy 1.0 1.8 7.50 110 72 A 71 LYS HEx A 71 LYS H 1.0 1.8 7.50 111 73 A 71 LYS H A 72 TYR HBy 1.0 1.8 7.31 112 73 A 72 TYR HBx A 71 LYS H 1.0 1.8 7.31 113 74 A 71 LYS H A 71 LYS HBx 1.0 1.8 5.07 114 74 A 71 LYS HBy A 71 LYS H 1.0 1.8 5.07 115 75 A 71 LYS H A 70 ALA HB% 1.0 1.8 5.44 116 76 A 71 LYS H A 71 LYS HGy 1.0 1.8 6.28 117 76 A 71 LYS HGx A 71 LYS H 1.0 1.8 6.28 118 77 A 71 LYS H A 80 LEU HDx% 1.0 1.8 7.50 119 77 A 80 LEU HDy% A 71 LYS H 1.0 1.8 7.50 120 78 A 75 ASP H A 75 ASP HBy 1.0 1.8 5.92 121 78 A 75 ASP HBx A 75 ASP H 1.0 1.8 5.92 122 79 A 75 ASP H A 84 GLU HGy 1.0 1.8 7.14 123 79 A 75 ASP H A 84 GLU HGx 1.0 1.8 7.14 124 80 A 75 ASP H A 75 ASP HBy 1.0 1.8 5.82 125 80 A 75 ASP HBx A 75 ASP H 1.0 1.8 5.82 126 81 A 75 ASP H A 74 VAL HB 1.0 1.8 5.79 127 82 A 75 ASP H A 80 LEU HDx% 1.0 1.8 7.50 128 82 A 80 LEU HDy% A 75 ASP H 1.0 1.8 7.50 129 83 A 45 HIS H A 46 LEU H 1.0 1.8 6.58 130 84 A 45 HIS H A 85 GLN HE2y 1.0 1.8 6.75 131 85 A 45 HIS H A 43 ASP H 1.0 1.8 6.17 132 86 A 45 HIS H A 44 GLN H 1.0 1.8 5.47 133 87 A 45 HIS H A 42 ALA HA 1.0 1.8 6.99 134 88 A 45 HIS H A 45 HIS HBy 1.0 1.8 5.75 135 88 A 45 HIS H A 45 HIS HBx 1.0 1.8 5.75 136 89 A 45 HIS H A 44 GLN HGx 1.0 1.8 5.96 137 89 A 45 HIS H A 44 GLN HGy 1.0 1.8 5.96 138 90 A 45 HIS H A 46 LEU HBy 1.0 1.8 7.47 139 90 A 45 HIS H A 46 LEU HBx 1.0 1.8 7.47 140 91 A 45 HIS H A 82 ALA HB% 1.0 1.8 7.50 141 92 A 78 ARG H A 79 VAL HA 1.0 1.8 7.50 142 93 A 78 ARG H A 78 ARG HDx 1.0 1.8 5.94 143 93 A 78 ARG H A 78 ARG HDy 1.0 1.8 5.94 144 94 A 78 ARG H A 48 PHE HBy 1.0 1.8 7.50 145 94 A 78 ARG H A 48 PHE HBx 1.0 1.8 7.50 146 95 A 78 ARG H A 78 ARG HGy 1.0 1.8 6.33 147 95 A 78 ARG H A 78 ARG HGx 1.0 1.8 6.33 148 96 A 78 ARG H A 79 VAL HGx% 1.0 1.8 7.07 149 96 A 78 ARG H A 79 VAL HGy% 1.0 1.8 7.07 150 97 A 78 ARG H A 80 LEU HDx% 1.0 1.8 7.50 151 97 A 78 ARG H A 80 LEU HDy% 1.0 1.8 7.50 152 98 A 44 GLN H A 43 ASP HBy 1.0 1.8 7.39 153 98 A 44 GLN H A 43 ASP HBx 1.0 1.8 7.39 154 99 A 44 GLN H A 45 HIS HBy 1.0 1.8 7.50 155 99 A 44 GLN H A 45 HIS HBx 1.0 1.8 7.50 156 100 A 44 GLN H A 42 ALA H 1.0 1.8 7.32 157 101 A 44 GLN H A 44 GLN HE2y 1.0 1.8 7.50 158 102 A 85 GLN HE2y A 85 GLN H 1.0 1.8 6.57 159 103 A 85 GLN H A 84 GLU H 1.0 1.8 6.07 160 104 A 85 GLN H A 80 LEU HA 1.0 1.8 7.50 161 105 A 85 GLN H A 81 ASP HA 1.0 1.8 7.50 162 106 A 85 GLN H A 84 GLU HGy 1.0 1.8 7.15 163 106 A 84 GLU HGx A 85 GLN H 1.0 1.8 7.15 164 107 A 85 GLN H A 85 GLN HGy 1.0 1.8 5.95 165 107 A 85 GLN H A 85 GLN HGx 1.0 1.8 5.95 166 108 A 85 GLN H A 85 GLN HBy 1.0 1.8 5.65 167 108 A 85 GLN H A 85 GLN HBx 1.0 1.8 5.65 168 109 A 85 GLN H A 85 GLN HGy 1.0 1.8 5.92 169 109 A 85 GLN H A 85 GLN HGx 1.0 1.8 5.92 170 110 A 85 GLN H A 88 MET HBy 1.0 1.8 7.50 171 110 A 85 GLN H A 88 MET HBx 1.0 1.8 7.50 172 111 A 85 GLN H A 80 LEU HBy 1.0 1.8 6.35 173 111 A 85 GLN H A 80 LEU HBx 1.0 1.8 6.35 174 112 A 85 GLN H A 81 ASP HBy 1.0 1.8 7.50 175 112 A 85 GLN H A 81 ASP HBx 1.0 1.8 7.50 176 113 A 85 GLN H A 85 GLN HBy 1.0 1.8 5.70 177 113 A 85 GLN H A 85 GLN HBx 1.0 1.8 5.70 178 114 A 39 ASP H A 39 ASP HBy 1.0 1.8 5.61 179 114 A 39 ASP H A 39 ASP HBx 1.0 1.8 5.61 180 115 A 39 ASP H A 39 ASP HBy 1.0 1.8 5.64 181 115 A 39 ASP H A 39 ASP HBx 1.0 1.8 5.64 182 116 A 38 ALA HB% A 39 ASP H 1.0 1.8 6.16 183 117 A 39 ASP H A 46 LEU HDx% 1.0 1.8 6.22 184 117 A 39 ASP H A 46 LEU HDy% 1.0 1.8 6.22 185 118 A 43 ASP H A 43 ASP HBy 1.0 1.8 5.96 186 118 A 43 ASP H A 43 ASP HBx 1.0 1.8 5.96 187 119 A 53 GLN H A 53 GLN HGy 1.0 1.8 5.81 188 119 A 53 GLN H A 53 GLN HGx 1.0 1.8 5.81 189 120 A 43 ASP H A 43 ASP HBy 1.0 1.8 5.71 190 120 A 43 ASP H A 43 ASP HBx 1.0 1.8 5.71 191 121 A 53 GLN H A 52 ARG HGx 1.0 1.8 5.65 192 121 A 53 GLN H A 52 ARG HGy 1.0 1.8 5.65 193 122 A 43 ASP H A 42 ALA HB% 1.0 1.8 6.04 194 123 A 53 GLN H A 55 LEU HDx% 1.0 1.8 7.50 195 123 A 53 GLN H A 55 LEU HDy% 1.0 1.8 7.50 196 124 A 53 GLN H A 53 GLN HBy 1.0 1.8 5.47 197 124 A 53 GLN H A 53 GLN HBx 1.0 1.8 5.47 198 125 A 39 ASP H A 36 ALA H 1.0 1.8 7.50 199 126 A 43 ASP H A 44 GLN H 1.0 1.8 5.37 200 127 A 53 GLN H A 52 ARG H 1.0 1.8 5.97 201 128 A 68 VAL H A 55 LEU HDx% 1.0 1.8 7.50 202 128 A 68 VAL H A 55 LEU HDy% 1.0 1.8 7.50 203 129 A 68 VAL H A 68 VAL HB 1.0 1.8 5.48 204 130 A 68 VAL H A 67 ALA HB% 1.0 1.8 5.51 205 131 A 68 VAL H A 68 VAL HGx% 1.0 1.8 5.15 206 131 A 68 VAL H A 68 VAL HGy% 1.0 1.8 5.15 207 132 A 68 VAL H A 31 ILE HD1% 1.0 1.8 7.17 208 133 A 68 VAL H A 64 ASP HA 1.0 1.8 6.80 209 134 A 68 VAL H A 69 PHE H 1.0 1.8 5.64 210 135 A 68 VAL H A 51 TRP HE1 1.0 1.8 7.42 211 136 A 55 LEU H A 55 LEU HDx% 1.0 1.8 6.45 212 136 A 55 LEU HDy% A 55 LEU H 1.0 1.8 6.45 213 137 A 55 LEU H A 55 LEU HDx% 1.0 1.8 6.27 214 137 A 55 LEU HDy% A 55 LEU H 1.0 1.8 6.27 215 138 A 55 LEU H A 55 LEU HBy 1.0 1.8 5.90 216 138 A 55 LEU HBx A 55 LEU H 1.0 1.8 5.90 217 139 A 55 LEU H A 55 LEU HBy 1.0 1.8 6.08 218 139 A 55 LEU HBx A 55 LEU H 1.0 1.8 6.08 219 140 A 55 LEU H A 55 LEU HG 1.0 1.8 5.88 220 141 A 55 LEU H A 52 ARG HA 1.0 1.8 7.01 221 142 A 55 LEU H A 60 HIS HD2 1.0 1.8 7.50 222 143 A 55 LEU H A 54 GLU H 1.0 1.8 5.91 223 144 A 52 ARG H A 55 LEU H 1.0 1.8 7.50 224 145 A 52 ARG H A 51 TRP H 1.0 1.8 6.29 225 146 A 52 ARG H A 49 ASP HA 1.0 1.8 6.57 226 147 A 52 ARG H A 52 ARG HDy 1.0 1.8 5.87 227 147 A 52 ARG H A 52 ARG HDx 1.0 1.8 5.87 228 148 A 52 ARG H A 53 GLN HBy 1.0 1.8 7.50 229 148 A 53 GLN HBx A 52 ARG H 1.0 1.8 7.50 230 149 A 52 ARG H A 53 GLN HGy 1.0 1.8 7.30 231 149 A 53 GLN HGx A 52 ARG H 1.0 1.8 7.30 232 150 A 52 ARG H A 56 LYS HDy 1.0 1.8 7.50 233 150 A 52 ARG H A 56 LYS HDx 1.0 1.8 7.50 234 151 A 52 ARG H A 52 ARG HGx 1.0 1.8 5.60 235 151 A 52 ARG HGy A 52 ARG H 1.0 1.8 5.60 236 152 A 47 ASP HA A 49 ASP H 1.0 1.8 7.43 237 153 A 49 ASP H A 47 ASP HBy 1.0 1.8 6.33 238 153 A 49 ASP H A 47 ASP HBx 1.0 1.8 6.33 239 154 A 49 ASP H A 79 VAL HGx% 1.0 1.8 7.50 240 154 A 79 VAL HGy% A 49 ASP H 1.0 1.8 7.50 241 155 A 49 ASP H A 50 GLU H 1.0 1.8 5.55 242 156 A 56 LYS H A 58 ARG H 1.0 1.8 6.99 243 157 A 58 ARG H A 55 LEU HA 1.0 1.8 6.11 244 158 A 58 ARG H A 58 ARG HDy 1.0 1.8 7.04 245 158 A 58 ARG H A 58 ARG HDx 1.0 1.8 7.04 246 159 A 58 ARG H A 58 ARG HBy 1.0 1.8 6.03 247 159 A 58 ARG H A 58 ARG HBx 1.0 1.8 6.03 248 160 A 58 ARG H A 58 ARG HBy 1.0 1.8 5.78 249 160 A 58 ARG H A 58 ARG HBx 1.0 1.8 5.78 250 161 A 58 ARG H A 58 ARG HDy 1.0 1.8 6.73 251 161 A 58 ARG H A 58 ARG HDx 1.0 1.8 6.73 252 162 A 58 ARG H A 55 LEU HBy 1.0 1.8 7.50 253 162 A 58 ARG H A 55 LEU HBx 1.0 1.8 7.50 254 163 A 35 LEU H A 55 LEU HDx% 1.0 1.8 7.50 255 163 A 55 LEU HDy% A 35 LEU H 1.0 1.8 7.50 256 164 A 35 LEU H A 34 ALA HB% 1.0 1.8 5.71 257 165 A 36 ALA HB% A 35 LEU H 1.0 1.8 6.38 258 166 A 35 LEU H A 54 GLU HGy 1.0 1.8 7.24 259 166 A 54 GLU HGx A 35 LEU H 1.0 1.8 7.24 260 167 A 35 LEU H A 31 ILE HA 1.0 1.8 7.31 261 168 A 35 LEU H A 32 GLN HA 1.0 1.8 6.10 262 169 A 37 HIS H A 35 LEU H 1.0 1.8 6.98 263 170 A 36 ALA H A 35 LEU H 1.0 1.8 5.78 264 171 A 67 ALA HB% A 66 GLU H 1.0 1.8 6.52 265 172 A 66 GLU H A 65 ILE HB 1.0 1.8 5.30 266 173 A 66 GLU H A 66 GLU HBy 1.0 1.8 5.66 267 173 A 66 GLU H A 66 GLU HBx 1.0 1.8 5.66 268 174 A 66 GLU H A 65 ILE HG2% 1.0 1.8 6.17 269 175 A 66 GLU H A 65 ILE HG1y 1.0 1.8 6.36 270 175 A 66 GLU H A 65 ILE HG1x 1.0 1.8 6.36 271 176 A 66 GLU H A 55 LEU HDx% 1.0 1.8 7.50 272 176 A 55 LEU HDy% A 66 GLU H 1.0 1.8 7.50 273 177 A 64 ASP HA A 66 GLU H 1.0 1.8 7.50 274 178 A 66 GLU H A 63 ALA HA 1.0 1.8 6.37 275 179 A 69 PHE H A 66 GLU H 1.0 1.8 7.35 276 180 A 66 GLU H A 48 PHE HE% 1.0 1.8 7.19 277 181 A 66 GLU H A 64 ASP H 1.0 1.8 7.50 278 182 A 51 TRP HE1 A 66 GLU H 1.0 1.8 7.50 279 183 A 104 ALA HB% A 105 GLU H 1.0 1.8 5.71 280 184 A 105 GLU H A 106 LEU HDx% 1.0 1.8 7.32 281 184 A 105 GLU H A 106 LEU HDy% 1.0 1.8 7.32 282 185 A 105 GLU H A 105 GLU HBy 1.0 1.8 5.89 283 185 A 105 GLU H A 105 GLU HBx 1.0 1.8 5.89 284 186 A 105 GLU H A 104 ALA HA 1.0 1.8 5.17 285 187 A 36 ALA H A 35 LEU HDx% 1.0 1.8 6.37 286 187 A 36 ALA H A 35 LEU HDy% 1.0 1.8 6.37 287 188 A 36 ALA HB% A 36 ALA H 1.0 1.8 5.17 288 189 A 38 ALA HB% A 36 ALA H 1.0 1.8 6.90 289 190 A 36 ALA H A 54 GLU HGy 1.0 1.8 7.37 290 190 A 54 GLU HGx A 36 ALA H 1.0 1.8 7.37 291 191 A 36 ALA H A 37 HIS HBy 1.0 1.8 7.19 292 191 A 37 HIS HBx A 36 ALA H 1.0 1.8 7.19 293 192 A 37 HIS H A 36 ALA H 1.0 1.8 5.55 294 193 A 64 ASP H A 63 ALA HB% 1.0 1.8 5.49 295 194 A 64 ASP H A 65 ILE HG1y 1.0 1.8 6.40 296 194 A 65 ILE HG1x A 64 ASP H 1.0 1.8 6.40 297 195 A 64 ASP H A 61 ALA HB% 1.0 1.8 5.63 298 196 A 64 ASP H A 64 ASP HBx 1.0 1.8 5.19 299 196 A 64 ASP H A 64 ASP HBy 1.0 1.8 5.19 300 197 A 64 ASP H A 62 ASP HBy 1.0 1.8 7.19 301 197 A 64 ASP H A 62 ASP HBx 1.0 1.8 7.19 302 198 A 64 ASP H A 62 ASP HA 1.0 1.8 6.48 303 199 A 64 ASP H A 65 ILE HA 1.0 1.8 7.24 304 200 A 64 ASP H A 65 ILE H 1.0 1.8 5.44 305 201 A 100 ASN H A 101 ASN H 1.0 1.8 5.67 306 202 A 100 ASN HD2y A 100 ASN H 1.0 1.8 6.81 307 203 A 100 ASN H A 100 ASN HD2x 1.0 1.8 7.06 308 204 A 100 ASN H A 97 SER HA 1.0 1.8 6.40 309 205 A 27 LYS HA A 30 ASP H 1.0 1.8 6.17 310 206 A 30 ASP H A 28 ILE HA 1.0 1.8 7.30 311 207 A 30 ASP H A 30 ASP HBy 1.0 1.8 5.50 312 207 A 30 ASP H A 30 ASP HBx 1.0 1.8 5.50 313 208 A 30 ASP H A 29 ALA HB% 1.0 1.8 5.49 314 209 A 30 ASP H A 32 GLN H 1.0 1.8 6.89 315 210 A 55 LEU HG A 54 GLU H 1.0 1.8 7.05 316 211 A 54 GLU H A 55 LEU HDx% 1.0 1.8 7.50 317 211 A 55 LEU HDy% A 54 GLU H 1.0 1.8 7.50 318 212 A 54 GLU H A 55 LEU HDx% 1.0 1.8 7.29 319 212 A 55 LEU HDy% A 54 GLU H 1.0 1.8 7.29 320 213 A 54 GLU H A 55 LEU HA 1.0 1.8 7.37 321 214 A 52 ARG HA A 54 GLU H 1.0 1.8 7.50 322 215 A 53 GLN H A 54 GLU H 1.0 1.8 5.72 323 216 A 92 LEU H A 93 GLU H 1.0 1.8 5.84 324 217 A 93 GLU H A 32 GLN HE2y 1.0 1.8 6.80 325 218 A 93 GLU H A 32 GLN HE2x 1.0 1.8 7.07 326 219 A 93 GLU H A 90 HIS HA 1.0 1.8 6.46 327 220 A 93 GLU H A 91 ASP HBy 1.0 1.8 7.50 328 220 A 91 ASP HBx A 93 GLU H 1.0 1.8 7.50 329 221 A 93 GLU H A 32 GLN HGy 1.0 1.8 7.50 330 221 A 93 GLU H A 32 GLN HGx 1.0 1.8 7.50 331 222 A 93 GLU H A 93 GLU HBx 1.0 1.8 5.30 332 222 A 93 GLU H A 93 GLU HBy 1.0 1.8 5.30 333 223 A 93 GLU H A 92 LEU HG 1.0 1.8 5.75 334 224 A 93 GLU H A 92 LEU HBy 1.0 1.8 6.21 335 224 A 92 LEU HBx A 93 GLU H 1.0 1.8 6.21 336 225 A 28 ILE HG2% A 93 GLU H 1.0 1.8 6.31 337 226 A 32 GLN H A 32 GLN HBy 1.0 1.8 5.46 338 226 A 32 GLN H A 32 GLN HBx 1.0 1.8 5.46 339 227 A 32 GLN H A 31 ILE HG2% 1.0 1.8 6.23 340 228 A 32 GLN H A 29 ALA HA 1.0 1.8 6.14 341 229 A 32 GLN H A 32 GLN HE2y 1.0 1.8 7.42 342 230 A 78 ARG H A 79 VAL H 1.0 1.8 5.44 343 231 A 79 VAL H A 80 LEU H 1.0 1.8 6.93 344 232 A 76 GLY H A 79 VAL H 1.0 1.8 7.28 345 233 A 79 VAL H A 77 ASP HA 1.0 1.8 6.61 346 234 A 47 ASP HA A 79 VAL H 1.0 1.8 7.50 347 235 A 28 ILE H A 27 LYS HBy 1.0 1.8 5.25 348 235 A 27 LYS HBx A 28 ILE H 1.0 1.8 5.25 349 236 A 28 ILE H A 28 ILE HB 1.0 1.8 5.24 350 237 A 28 ILE H A 28 ILE HG1y 1.0 1.8 5.57 351 237 A 28 ILE H A 28 ILE HG1x 1.0 1.8 5.57 352 238 A 79 VAL H A 80 LEU HDx% 1.0 1.8 7.01 353 238 A 80 LEU HDy% A 79 VAL H 1.0 1.8 7.01 354 239 A 69 PHE H A 68 VAL HGx% 1.0 1.8 6.09 355 239 A 68 VAL HGy% A 69 PHE H 1.0 1.8 6.09 356 240 A 69 PHE H A 68 VAL HGx% 1.0 1.8 6.69 357 240 A 68 VAL HGy% A 69 PHE H 1.0 1.8 6.69 358 241 A 69 PHE H A 65 ILE HG2% 1.0 1.8 6.97 359 242 A 69 PHE H A 55 LEU HDx% 1.0 1.8 7.50 360 242 A 55 LEU HDy% A 69 PHE H 1.0 1.8 7.50 361 243 A 69 PHE H A 69 PHE HBy 1.0 1.8 5.70 362 243 A 69 PHE H A 69 PHE HBx 1.0 1.8 5.70 363 244 A 68 VAL HB A 69 PHE H 1.0 1.8 5.85 364 245 A 69 PHE H A 66 GLU HA 1.0 1.8 7.00 365 246 A 70 ALA H A 69 PHE H 1.0 1.8 5.78 366 247 A 69 PHE H A 51 TRP HE1 1.0 1.8 6.24 367 248 A 38 ALA HB% A 38 ALA H 1.0 1.8 5.29 368 249 A 38 ALA H A 37 HIS HBy 1.0 1.8 6.33 369 249 A 37 HIS HBx A 38 ALA H 1.0 1.8 6.33 370 250 A 38 ALA H A 54 GLU HGy 1.0 1.8 6.57 371 250 A 54 GLU HGx A 38 ALA H 1.0 1.8 6.57 372 251 A 37 HIS H A 38 ALA H 1.0 1.8 5.35 373 252 A 36 ALA H A 38 ALA H 1.0 1.8 6.30 374 253 A 56 LYS H A 57 CYS H 1.0 1.8 5.61 375 254 A 58 ARG H A 57 CYS H 1.0 1.8 5.59 376 255 A 57 CYS H A 58 ARG HDy 1.0 1.8 7.50 377 255 A 58 ARG HDx A 57 CYS H 1.0 1.8 7.50 378 256 A 55 LEU HA A 57 CYS H 1.0 1.8 6.88 379 257 A 57 CYS H A 56 LYS HBx 1.0 1.8 5.50 380 257 A 57 CYS H A 56 LYS HBy 1.0 1.8 5.50 381 258 A 57 CYS H A 58 ARG HDy 1.0 1.8 7.50 382 258 A 58 ARG HDx A 57 CYS H 1.0 1.8 7.50 383 259 A 57 CYS H A 58 ARG HGx 1.0 1.8 6.41 384 259 A 58 ARG HGy A 57 CYS H 1.0 1.8 6.41 385 260 A 57 CYS H A 55 LEU HBy 1.0 1.8 7.50 386 260 A 55 LEU HBx A 57 CYS H 1.0 1.8 7.50 387 261 A 57 CYS H A 55 LEU HBy 1.0 1.8 7.50 388 261 A 55 LEU HBx A 57 CYS H 1.0 1.8 7.50 389 262 A 57 CYS H A 55 LEU HDx% 1.0 1.8 7.50 390 262 A 55 LEU HDy% A 57 CYS H 1.0 1.8 7.50 391 263 A 86 MET H A 88 MET HBy 1.0 1.8 7.50 392 263 A 88 MET HBx A 86 MET H 1.0 1.8 7.50 393 264 A 86 MET H A 86 MET HBy 1.0 1.8 5.13 394 264 A 86 MET H A 86 MET HBx 1.0 1.8 5.13 395 265 A 86 MET H A 82 ALA HA 1.0 1.8 6.54 396 266 A 85 GLN H A 86 MET H 1.0 1.8 5.81 397 267 A 84 GLU H A 86 MET H 1.0 1.8 6.88 398 268 A 101 ASN H A 99 LEU H 1.0 1.8 6.33 399 269 A 101 ASN H A 101 ASN HBx 1.0 1.8 4.96 400 269 A 101 ASN H A 101 ASN HBy 1.0 1.8 4.96 401 270 A 101 ASN H A 102 GLN HGy 1.0 1.8 7.35 402 270 A 101 ASN H A 102 GLN HGx 1.0 1.8 7.35 403 271 A 101 ASN H A 102 GLN HGy 1.0 1.8 7.24 404 271 A 101 ASN H A 102 GLN HGx 1.0 1.8 7.24 405 272 A 82 ALA HB% A 83 GLU H 1.0 1.8 5.41 406 273 A 83 GLU H A 81 ASP HBy 1.0 1.8 6.52 407 273 A 81 ASP HBx A 83 GLU H 1.0 1.8 6.52 408 274 A 83 GLU H A 83 GLU HGx 1.0 1.8 5.52 409 274 A 83 GLU H A 83 GLU HGy 1.0 1.8 5.52 410 275 A 81 ASP HA A 83 GLU H 1.0 1.8 7.02 411 276 A 85 GLN HE2y A 83 GLU H 1.0 1.8 7.50 412 277 A 84 GLU H A 83 GLU H 1.0 1.8 5.46 413 278 A 83 GLU H A 82 ALA H 1.0 1.8 5.61 414 279 A 83 GLU H A 81 ASP H 1.0 1.8 7.50 415 280 A 63 ALA H A 66 GLU HBy 1.0 1.8 7.50 416 280 A 66 GLU HBx A 63 ALA H 1.0 1.8 7.50 417 281 A 63 ALA HB% A 63 ALA H 1.0 1.8 5.01 418 282 A 63 ALA H A 65 ILE HG1y 1.0 1.8 7.10 419 282 A 65 ILE HG1x A 63 ALA H 1.0 1.8 7.10 420 283 A 63 ALA H A 62 ASP HBy 1.0 1.8 5.77 421 283 A 62 ASP HBx A 63 ALA H 1.0 1.8 5.77 422 284 A 63 ALA H A 62 ASP HBy 1.0 1.8 5.67 423 284 A 62 ASP HBx A 63 ALA H 1.0 1.8 5.67 424 285 A 65 ILE H A 63 ALA H 1.0 1.8 6.62 425 286 A 64 ASP H A 63 ALA H 1.0 1.8 5.72 426 287 A 48 PHE H A 80 LEU HDx% 1.0 1.8 7.50 427 287 A 80 LEU HDy% A 48 PHE H 1.0 1.8 7.50 428 288 A 48 PHE H A 47 ASP HBy 1.0 1.8 5.83 429 288 A 47 ASP HBx A 48 PHE H 1.0 1.8 5.83 430 289 A 48 PHE H A 48 PHE HBy 1.0 1.8 5.45 431 289 A 48 PHE HBx A 48 PHE H 1.0 1.8 5.45 432 290 A 48 PHE H A 48 PHE HBy 1.0 1.8 5.75 433 290 A 48 PHE HBx A 48 PHE H 1.0 1.8 5.75 434 291 A 48 PHE H A 47 ASP H 1.0 1.8 7.44 435 292 A 49 ASP H A 48 PHE H 1.0 1.8 6.17 436 293 A 60 HIS H A 55 LEU HBy 1.0 1.8 6.91 437 293 A 55 LEU HBx A 60 HIS H 1.0 1.8 6.91 438 294 A 60 HIS H A 55 LEU HBy 1.0 1.8 6.34 439 294 A 55 LEU HBx A 60 HIS H 1.0 1.8 6.34 440 295 A 60 HIS H A 60 HIS HBy 1.0 1.8 5.72 441 295 A 60 HIS HBx A 60 HIS H 1.0 1.8 5.72 442 296 A 60 HIS H A 60 HIS HBy 1.0 1.8 5.58 443 296 A 60 HIS HBx A 60 HIS H 1.0 1.8 5.58 444 297 A 32 GLN H A 33 GLU H 1.0 1.8 5.81 445 298 A 33 GLU H A 34 ALA H 1.0 1.8 5.55 446 299 A 32 GLN HE2y A 33 GLU H 1.0 1.8 7.50 447 300 A 33 GLU H A 33 GLU HBy 1.0 1.8 5.34 448 300 A 33 GLU H A 33 GLU HBx 1.0 1.8 5.34 449 301 A 34 ALA HB% A 33 GLU H 1.0 1.8 6.54 450 302 A 102 GLN H A 103 LEU HDx% 1.0 1.8 6.40 451 302 A 102 GLN H A 103 LEU HDy% 1.0 1.8 6.40 452 303 A 102 GLN H A 102 GLN HGy 1.0 1.8 5.50 453 303 A 102 GLN HGx A 102 GLN H 1.0 1.8 5.50 454 304 A 102 GLN H A 102 GLN HBx 1.0 1.8 5.18 455 304 A 102 GLN H A 102 GLN HBy 1.0 1.8 5.18 456 305 A 102 GLN H A 101 ASN HBx 1.0 1.8 5.51 457 305 A 101 ASN HBy A 102 GLN H 1.0 1.8 5.51 458 306 A 102 GLN H A 102 GLN HGy 1.0 1.8 5.66 459 306 A 102 GLN HGx A 102 GLN H 1.0 1.8 5.66 460 307 A 76 GLY H A 77 ASP H 1.0 1.8 5.64 461 308 A 42 ALA H A 43 ASP HBy 1.0 1.8 7.50 462 308 A 43 ASP HBx A 42 ALA H 1.0 1.8 7.50 463 309 A 42 ALA H A 42 ALA HB% 1.0 1.8 5.31 464 310 A 40 ALA HB% A 42 ALA H 1.0 1.8 6.55 465 311 A 42 ALA H A 41 ASN HD2x 1.0 1.8 7.50 466 312 A 40 ALA H A 42 ALA H 1.0 1.8 6.31 467 313 A 43 ASP H A 42 ALA H 1.0 1.8 5.65 468 314 A 92 LEU H A 91 ASP H 1.0 1.8 5.98 469 315 A 92 LEU H A 72 TYR HE% 1.0 1.8 7.50 470 316 A 92 LEU H A 95 GLN HE2x 1.0 1.8 7.50 471 317 A 92 LEU H A 89 ALA HA 1.0 1.8 6.61 472 318 A 92 LEU H A 91 ASP HBy 1.0 1.8 6.30 473 318 A 92 LEU H A 91 ASP HBx 1.0 1.8 6.30 474 319 A 92 LEU H A 91 ASP HBy 1.0 1.8 6.33 475 319 A 92 LEU H A 91 ASP HBx 1.0 1.8 6.33 476 320 A 92 LEU H A 32 GLN HGy 1.0 1.8 7.50 477 320 A 92 LEU H A 32 GLN HGx 1.0 1.8 7.50 478 321 A 92 LEU H A 95 GLN HGy 1.0 1.8 7.50 479 321 A 92 LEU H A 95 GLN HGx 1.0 1.8 7.50 480 322 A 92 LEU H A 92 LEU HG 1.0 1.8 5.42 481 323 A 92 LEU H A 88 MET HA 1.0 1.8 7.17 482 324 A 92 LEU H A 92 LEU HBy 1.0 1.8 6.04 483 324 A 92 LEU H A 92 LEU HBx 1.0 1.8 6.04 484 325 A 92 LEU H A 88 MET HGy 1.0 1.8 7.12 485 325 A 92 LEU H A 88 MET HGx 1.0 1.8 7.12 486 326 A 92 LEU H A 88 MET HGy 1.0 1.8 7.06 487 326 A 92 LEU H A 88 MET HGx 1.0 1.8 7.06 488 327 A 82 ALA HB% A 82 ALA H 1.0 1.8 5.13 489 328 A 82 ALA H A 81 ASP HBy 1.0 1.8 5.46 490 328 A 81 ASP HBx A 82 ALA H 1.0 1.8 5.46 491 329 A 82 ALA H A 81 ASP HBy 1.0 1.8 5.61 492 329 A 81 ASP HBx A 82 ALA H 1.0 1.8 5.61 493 330 A 82 ALA H A 83 GLU HGx 1.0 1.8 6.74 494 330 A 83 GLU HGy A 82 ALA H 1.0 1.8 6.74 495 331 A 81 ASP HA A 82 ALA H 1.0 1.8 5.55 496 332 A 85 GLN HE2y A 82 ALA H 1.0 1.8 6.86 497 333 A 45 HIS HD2 A 82 ALA H 1.0 1.8 7.50 498 334 A 82 ALA H A 81 ASP H 1.0 1.8 6.87 499 335 A 78 ARG H A 77 ASP H 1.0 1.8 5.38 500 336 A 51 TRP HE1 A 65 ILE H 1.0 1.8 7.50 501 337 A 77 ASP H A 80 LEU HDx% 1.0 1.8 7.50 502 337 A 80 LEU HDy% A 77 ASP H 1.0 1.8 7.50 503 338 A 88 MET H A 88 MET HBy 1.0 1.8 5.55 504 338 A 88 MET H A 88 MET HBx 1.0 1.8 5.55 505 339 A 88 MET H A 88 MET HBy 1.0 1.8 5.69 506 339 A 88 MET H A 88 MET HBx 1.0 1.8 5.69 507 340 A 88 MET H A 87 LYS HGx 1.0 1.8 6.31 508 340 A 88 MET H A 87 LYS HGy 1.0 1.8 6.31 509 341 A 88 MET H A 87 LYS HGx 1.0 1.8 7.01 510 341 A 88 MET H A 87 LYS HGy 1.0 1.8 7.01 511 342 A 88 MET H A 85 GLN HA 1.0 1.8 6.51 512 343 A 88 MET H A 90 HIS HBx 1.0 1.8 7.50 513 343 A 90 HIS HBy A 88 MET H 1.0 1.8 7.50 514 344 A 88 MET H A 91 ASP HBy 1.0 1.8 7.50 515 344 A 91 ASP HBx A 88 MET H 1.0 1.8 7.50 516 345 A 88 MET H A 84 GLU HA 1.0 1.8 7.00 517 346 A 88 MET H A 72 TYR HE% 1.0 1.8 7.41 518 347 A 88 MET H A 91 ASP H 1.0 1.8 7.43 519 348 A 89 ALA HB% A 89 ALA H 1.0 1.8 5.10 520 349 A 89 ALA H A 88 MET HBy 1.0 1.8 6.03 521 349 A 89 ALA H A 88 MET HBx 1.0 1.8 6.03 522 350 A 89 ALA H A 35 LEU HDx% 1.0 1.8 5.85 523 350 A 89 ALA H A 35 LEU HDy% 1.0 1.8 5.85 524 351 A 96 LYS H A 28 ILE HG1y 1.0 1.8 7.50 525 351 A 28 ILE HG1x A 96 LYS H 1.0 1.8 7.50 526 352 A 96 LYS H A 95 GLN HGy 1.0 1.8 6.86 527 352 A 95 GLN HGx A 96 LYS H 1.0 1.8 6.86 528 353 A 96 LYS H A 96 LYS HBy 1.0 1.8 5.53 529 353 A 96 LYS H A 96 LYS HBx 1.0 1.8 5.53 530 354 A 25 ARG H A 25 ARG HGy 1.0 1.8 5.17 531 354 A 25 ARG H A 25 ARG HGx 1.0 1.8 5.17 532 355 A 65 ILE H A 65 ILE HG1y 1.0 1.8 5.83 533 355 A 65 ILE HG1x A 65 ILE H 1.0 1.8 5.83 534 356 A 65 ILE H A 65 ILE HG1y 1.0 1.8 5.61 535 356 A 65 ILE HG1x A 65 ILE H 1.0 1.8 5.61 536 357 A 89 ALA H A 85 GLN HA 1.0 1.8 6.71 537 358 A 89 ALA H A 90 HIS HA 1.0 1.8 7.50 538 359 A 21 MET H A 20 HIS HBy 1.0 1.8 6.36 539 359 A 20 HIS HBx A 21 MET H 1.0 1.8 6.36 540 360 A 96 LYS H A 96 LYS HEy 1.0 1.8 7.38 541 360 A 96 LYS H A 96 LYS HEx 1.0 1.8 7.38 542 361 A 26 ASP H A 26 ASP HBx 1.0 1.8 5.25 543 361 A 26 ASP H A 26 ASP HBy 1.0 1.8 5.25 544 362 A 65 ILE H A 64 ASP HBx 1.0 1.8 5.71 545 362 A 64 ASP HBy A 65 ILE H 1.0 1.8 5.71 546 363 A 96 LYS HA A 99 LEU H 1.0 1.8 5.75 547 364 A 99 LEU H A 98 ASP HBx 1.0 1.8 5.48 548 364 A 99 LEU H A 98 ASP HBy 1.0 1.8 5.48 549 365 A 94 GLY H A 95 GLN H 1.0 1.8 5.56 550 366 A 100 ASN H A 99 LEU H 1.0 1.8 5.61 551 367 A 96 LYS H A 95 GLN H 1.0 1.8 5.69 552 368 A 34 ALA H A 31 ILE H 1.0 1.8 7.06 553 369 A 21 MET H A 20 HIS HD2 1.0 1.8 7.50 554 370 A 26 ASP H A 27 LYS H 1.0 1.8 5.57 555 371 A 94 GLY H A 96 LYS H 1.0 1.8 6.67 556 372 A 100 ASN HD2y A 96 LYS H 1.0 1.8 7.50 557 373 A 89 ALA H A 88 MET H 1.0 1.8 5.82 558 374 A 50 GLU H A 46 LEU HDx% 1.0 1.8 7.01 559 374 A 46 LEU HDy% A 50 GLU H 1.0 1.8 7.01 560 375 A 67 ALA HB% A 67 ALA H 1.0 1.8 4.96 561 376 A 67 ALA H A 68 VAL HGx% 1.0 1.8 6.26 562 376 A 68 VAL HGy% A 67 ALA H 1.0 1.8 6.26 563 377 A 87 LYS H A 88 MET HBy 1.0 1.8 6.90 564 377 A 88 MET HBx A 87 LYS H 1.0 1.8 6.90 565 378 A 99 LEU H A 99 LEU HG 1.0 1.8 5.01 566 379 A 99 LEU H A 99 LEU HBy 1.0 1.8 5.57 567 379 A 99 LEU H A 99 LEU HBx 1.0 1.8 5.57 568 380 A 99 LEU H A 99 LEU HDx% 1.0 1.8 5.53 569 380 A 99 LEU H A 99 LEU HDy% 1.0 1.8 5.53 570 381 A 21 MET H A 21 MET HGy 1.0 1.8 6.42 571 381 A 21 MET HGx A 21 MET H 1.0 1.8 6.42 572 382 A 21 MET H A 21 MET HGy 1.0 1.8 6.59 573 382 A 21 MET HGx A 21 MET H 1.0 1.8 6.59 574 383 A 50 GLU H A 47 ASP HBy 1.0 1.8 6.30 575 383 A 47 ASP HBx A 50 GLU H 1.0 1.8 6.30 576 384 A 50 GLU H A 49 ASP HBy 1.0 1.8 5.57 577 384 A 50 GLU H A 49 ASP HBx 1.0 1.8 5.57 578 385 A 87 LYS H A 90 HIS HBx 1.0 1.8 7.34 579 385 A 90 HIS HBy A 87 LYS H 1.0 1.8 7.34 580 386 A 67 ALA H A 66 GLU HBy 1.0 1.8 5.64 581 386 A 66 GLU HBx A 67 ALA H 1.0 1.8 5.64 582 387 A 95 GLN H A 95 GLN HGy 1.0 1.8 5.70 583 387 A 95 GLN HGx A 95 GLN H 1.0 1.8 5.70 584 388 A 95 GLN H A 95 GLN HBx 1.0 1.8 5.23 585 388 A 95 GLN HBy A 95 GLN H 1.0 1.8 5.23 586 389 A 85 GLN HA A 87 LYS H 1.0 1.8 7.44 587 390 A 64 ASP HA A 67 ALA H 1.0 1.8 5.97 588 391 A 50 GLU H A 46 LEU HA 1.0 1.8 7.50 589 392 A 47 ASP HA A 50 GLU H 1.0 1.8 7.50 590 393 A 88 MET H A 87 LYS H 1.0 1.8 5.74 591 394 A 69 PHE H A 67 ALA H 1.0 1.8 6.70 592 395 A 95 GLN HE2y A 95 GLN H 1.0 1.8 7.37 593 396 A 95 GLN HE2x A 95 GLN H 1.0 1.8 7.50 594 397 A 68 VAL H A 67 ALA H 1.0 1.8 5.73 595 398 A 84 GLU H A 87 LYS H 1.0 1.8 7.50 596 399 A 50 GLU H A 47 ASP H 1.0 1.8 6.82 597 400 A 51 TRP H A 46 LEU HDx% 1.0 1.8 6.37 598 400 A 46 LEU HDy% A 51 TRP H 1.0 1.8 6.37 599 401 A 103 LEU H A 102 GLN HGy 1.0 1.8 6.91 600 401 A 102 GLN HGx A 103 LEU H 1.0 1.8 6.91 601 402 A 103 LEU H A 102 GLN HGy 1.0 1.8 6.61 602 402 A 102 GLN HGx A 103 LEU H 1.0 1.8 6.61 603 403 A 103 LEU H A 102 GLN HBx 1.0 1.8 5.62 604 403 A 102 GLN HBy A 103 LEU H 1.0 1.8 5.62 605 404 A 103 LEU H A 103 LEU HDx% 1.0 1.8 5.61 606 404 A 103 LEU HDy% A 103 LEU H 1.0 1.8 5.61 607 405 A 103 LEU H A 104 ALA H 1.0 1.8 5.49 608 406 A 106 LEU H A 106 LEU HDx% 1.0 1.8 5.96 609 406 A 106 LEU HDy% A 106 LEU H 1.0 1.8 5.96 610 407 A 106 LEU H A 105 GLU HGy 1.0 1.8 6.83 611 407 A 106 LEU H A 105 GLU HGx 1.0 1.8 6.83 612 408 A 106 LEU H A 105 GLU HA 1.0 1.8 5.19 613 409 A 73 ASP H A 70 ALA H 1.0 1.8 7.50 614 410 A 73 ASP H A 74 VAL H 1.0 1.8 6.71 615 411 A 73 ASP H A 69 PHE HD% 1.0 1.8 7.50 616 412 A 73 ASP H A 70 ALA HA 1.0 1.8 6.17 617 413 A 73 ASP H A 72 TYR HBy 1.0 1.8 6.60 618 413 A 73 ASP H A 72 TYR HBx 1.0 1.8 6.60 619 414 A 73 ASP H A 72 TYR HBy 1.0 1.8 6.36 620 414 A 73 ASP H A 72 TYR HBx 1.0 1.8 6.36 621 415 A 73 ASP H A 71 LYS HGy 1.0 1.8 6.71 622 415 A 73 ASP H A 71 LYS HGx 1.0 1.8 6.71 623 416 A 73 ASP H A 71 LYS HGy 1.0 1.8 7.50 624 416 A 73 ASP H A 71 LYS HGx 1.0 1.8 7.50 625 417 A 73 ASP H A 80 LEU HDx% 1.0 1.8 5.90 626 417 A 73 ASP H A 80 LEU HDy% 1.0 1.8 5.90 627 418 A 17 ARG H A 16 PRO HBy 1.0 1.8 6.22 628 418 A 16 PRO HBx A 17 ARG H 1.0 1.8 6.22 629 419 A 17 ARG H A 17 ARG HBx 1.0 1.8 5.20 630 419 A 17 ARG HBy A 17 ARG H 1.0 1.8 5.20 631 420 A 17 ARG H A 16 PRO HGy 1.0 1.8 6.74 632 420 A 17 ARG H A 16 PRO HGx 1.0 1.8 6.74 633 421 A 17 ARG H A 16 PRO HDy 1.0 1.8 7.25 634 421 A 17 ARG H A 16 PRO HDx 1.0 1.8 7.25 635 422 A 93 GLU H A 91 ASP H 1.0 1.8 6.56 636 423 A 90 HIS H A 91 ASP H 1.0 1.8 5.57 637 424 A 91 ASP H A 89 ALA HA 1.0 1.8 7.28 638 425 A 91 ASP H A 90 HIS HBx 1.0 1.8 5.51 639 425 A 90 HIS HBy A 91 ASP H 1.0 1.8 5.51 640 426 A 91 ASP H A 91 ASP HBy 1.0 1.8 5.47 641 426 A 91 ASP HBx A 91 ASP H 1.0 1.8 5.47 642 427 A 91 ASP H A 91 ASP HBy 1.0 1.8 5.65 643 427 A 91 ASP HBx A 91 ASP H 1.0 1.8 5.65 644 428 A 89 ALA HB% A 91 ASP H 1.0 1.8 6.48 645 429 A 91 ASP H A 88 MET HGy 1.0 1.8 7.50 646 429 A 91 ASP H A 88 MET HGx 1.0 1.8 7.50 647 430 A 92 LEU HG A 91 ASP H 1.0 1.8 6.29 648 431 A 91 ASP H A 88 MET HGy 1.0 1.8 6.98 649 431 A 91 ASP H A 88 MET HGx 1.0 1.8 6.98 650 432 A 29 ALA H A 28 ILE HG1y 1.0 1.8 6.18 651 432 A 28 ILE HG1x A 29 ALA H 1.0 1.8 6.18 652 433 A 29 ALA HB% A 29 ALA H 1.0 1.8 5.13 653 434 A 98 ASP H A 98 ASP HBx 1.0 1.8 5.25 654 434 A 98 ASP HBy A 98 ASP H 1.0 1.8 5.25 655 435 A 98 ASP H A 97 SER HBy 1.0 1.8 5.88 656 435 A 98 ASP H A 97 SER HBx 1.0 1.8 5.88 657 436 A 14 LEU HA A 15 VAL H 1.0 1.8 4.83 658 437 A 15 VAL H A 15 VAL HGx% 1.0 1.8 5.16 659 437 A 15 VAL H A 15 VAL HGy% 1.0 1.8 5.16 660 438 A 15 VAL H A 15 VAL HB 1.0 1.8 5.33 661 439 A 28 ILE HB A 29 ALA H 1.0 1.8 5.65 662 440 A 56 LYS H A 55 LEU HBy 1.0 1.8 6.36 663 440 A 56 LYS H A 55 LEU HBx 1.0 1.8 6.36 664 441 A 56 LYS H A 55 LEU HBy 1.0 1.8 6.34 665 441 A 56 LYS H A 55 LEU HBx 1.0 1.8 6.34 666 442 A 56 LYS H A 55 LEU HDx% 1.0 1.8 7.38 667 442 A 56 LYS H A 55 LEU HDy% 1.0 1.8 7.38 668 443 A 56 LYS H A 55 LEU HDx% 1.0 1.8 7.18 669 443 A 56 LYS H A 55 LEU HDy% 1.0 1.8 7.18 670 444 A 62 ASP H A 65 ILE HG1y 1.0 1.8 7.50 671 444 A 65 ILE HG1x A 62 ASP H 1.0 1.8 7.50 672 445 A 56 LYS H A 56 LYS HBx 1.0 1.8 5.21 673 445 A 56 LYS H A 56 LYS HBy 1.0 1.8 5.21 674 446 A 56 LYS H A 56 LYS HGx 1.0 1.8 5.70 675 446 A 56 LYS H A 56 LYS HGy 1.0 1.8 5.70 676 447 A 62 ASP H A 62 ASP HBy 1.0 1.8 5.79 677 447 A 62 ASP HBx A 62 ASP H 1.0 1.8 5.79 678 448 A 84 GLU H A 85 GLN HGy 1.0 1.8 6.83 679 448 A 84 GLU H A 85 GLN HGx 1.0 1.8 6.83 680 449 A 61 ALA HB% A 62 ASP H 1.0 1.8 5.59 681 450 A 56 LYS H A 53 GLN HA 1.0 1.8 6.35 682 451 A 56 LYS H A 52 ARG HA 1.0 1.8 7.09 683 452 A 84 GLU H A 85 GLN HA 1.0 1.8 7.50 684 453 A 84 GLU H A 80 LEU HA 1.0 1.8 7.50 685 454 A 64 ASP H A 62 ASP H 1.0 1.8 7.50 686 455 A 85 GLN HE2y A 84 GLU H 1.0 1.8 7.50 687 456 A 56 LYS H A 53 GLN H 1.0 1.8 7.24 688 457 A 56 LYS H A 55 LEU H 1.0 1.8 5.79 689 458 A 56 LYS H A 54 GLU H 1.0 1.8 7.03 690 459 A 84 GLU H A 81 ASP H 1.0 1.8 6.64 691 460 A 104 ALA HB% A 104 ALA H 1.0 1.8 4.99 692 461 A 104 ALA H A 103 LEU HDx% 1.0 1.8 6.15 693 461 A 103 LEU HDy% A 104 ALA H 1.0 1.8 6.15 694 462 A 74 VAL H A 80 LEU HDx% 1.0 1.8 6.22 695 462 A 80 LEU HDy% A 74 VAL H 1.0 1.8 6.22 696 463 A 74 VAL H A 72 TYR HBy 1.0 1.8 7.32 697 463 A 72 TYR HBx A 74 VAL H 1.0 1.8 7.32 698 464 A 74 VAL H A 84 GLU HGy 1.0 1.8 6.57 699 464 A 74 VAL H A 84 GLU HGx 1.0 1.8 6.57 700 465 A 74 VAL H A 84 GLU HGy 1.0 1.8 6.31 701 465 A 74 VAL H A 84 GLU HGx 1.0 1.8 6.31 702 466 A 74 VAL H A 73 ASP HBy 1.0 1.8 6.50 703 466 A 73 ASP HBx A 74 VAL H 1.0 1.8 6.50 704 467 A 73 ASP HA A 74 VAL H 1.0 1.8 5.22 705 468 A 74 VAL H A 80 LEU HA 1.0 1.8 7.50 706 469 A 76 GLY H A 74 VAL H 1.0 1.8 6.12 707 470 A 34 ALA HB% A 34 ALA H 1.0 1.8 5.33 708 471 A 55 LEU HG A 34 ALA H 1.0 1.8 7.50 709 472 A 34 ALA H A 55 LEU HDx% 1.0 1.8 7.33 710 472 A 55 LEU HDy% A 34 ALA H 1.0 1.8 7.33 711 473 A 34 ALA H A 30 ASP HBy 1.0 1.8 7.50 712 473 A 30 ASP HBx A 34 ALA H 1.0 1.8 7.50 713 474 A 34 ALA H A 58 ARG HDy 1.0 1.8 7.50 714 474 A 58 ARG HDx A 34 ALA H 1.0 1.8 7.50 715 475 A 24 LYS H A 24 LYS HBx 1.0 1.8 5.52 716 475 A 24 LYS H A 24 LYS HBy 1.0 1.8 5.52 717 476 A 24 LYS H A 24 LYS HGy 1.0 1.8 6.41 718 476 A 24 LYS H A 24 LYS HGx 1.0 1.8 6.41 719 477 A 24 LYS H A 24 LYS HGy 1.0 1.8 6.44 720 477 A 24 LYS H A 24 LYS HGx 1.0 1.8 6.44 721 478 A 36 ALA HB% A 34 ALA H 1.0 1.8 7.11 722 479 A 34 ALA H A 37 HIS HBy 1.0 1.8 7.50 723 479 A 37 HIS HBx A 34 ALA H 1.0 1.8 7.50 724 480 A 34 ALA H A 30 ASP HA 1.0 1.8 6.88 725 481 A 31 ILE HA A 34 ALA H 1.0 1.8 6.46 726 482 A 24 LYS H A 23 SER HBy 1.0 1.8 6.17 727 482 A 23 SER HBx A 24 LYS H 1.0 1.8 6.17 728 483 A 37 HIS H A 34 ALA H 1.0 1.8 7.50 729 484 A 36 ALA H A 34 ALA H 1.0 1.8 7.00 730 485 A 22 ALA H A 23 SER HBy 1.0 1.8 6.92 731 485 A 23 SER HBx A 22 ALA H 1.0 1.8 6.92 732 486 A 22 ALA H A 25 ARG HDx 1.0 1.8 7.50 733 486 A 25 ARG HDy A 22 ALA H 1.0 1.8 7.50 734 487 A 22 ALA H A 21 MET HGy 1.0 1.8 7.50 735 487 A 21 MET HGx A 22 ALA H 1.0 1.8 7.50 736 488 A 22 ALA H A 21 MET HGy 1.0 1.8 7.44 737 488 A 21 MET HGx A 22 ALA H 1.0 1.8 7.44 738 489 A 22 ALA H A 103 LEU HG 1.0 1.8 7.50 739 490 A 22 ALA HB% A 22 ALA H 1.0 1.8 5.24 740 491 A 22 ALA H A 103 LEU HDx% 1.0 1.8 6.03 741 491 A 103 LEU HDy% A 22 ALA H 1.0 1.8 6.03 742 492 A 61 ALA H A 55 LEU HBy 1.0 1.8 7.50 743 492 A 55 LEU HBx A 61 ALA H 1.0 1.8 7.50 744 493 A 61 ALA H A 55 LEU HBy 1.0 1.8 7.21 745 493 A 55 LEU HBx A 61 ALA H 1.0 1.8 7.21 746 494 A 61 ALA H A 65 ILE HG1y 1.0 1.8 6.72 747 494 A 65 ILE HG1x A 61 ALA H 1.0 1.8 6.72 748 495 A 61 ALA H A 55 LEU HDx% 1.0 1.8 7.50 749 495 A 55 LEU HDy% A 61 ALA H 1.0 1.8 7.50 750 496 A 61 ALA H A 64 ASP HBx 1.0 1.8 5.70 751 496 A 64 ASP HBy A 61 ALA H 1.0 1.8 5.70 752 497 A 61 ALA H A 60 HIS HBy 1.0 1.8 6.26 753 497 A 60 HIS HBx A 61 ALA H 1.0 1.8 6.26 754 498 A 61 ALA HB% A 61 ALA H 1.0 1.8 5.26 755 499 A 61 ALA H A 60 HIS HA 1.0 1.8 5.16 756 500 A 65 ILE H A 61 ALA H 1.0 1.8 7.40 757 501 A 60 HIS H A 61 ALA H 1.0 1.8 6.66 758 502 A 64 ASP H A 61 ALA H 1.0 1.8 7.26 759 503 A 60 HIS HD2 A 61 ALA H 1.0 1.8 7.50 760 504 A 107 GLU H A 107 GLU HGx 1.0 1.8 5.91 761 504 A 107 GLU H A 107 GLU HGy 1.0 1.8 5.91 762 505 A 85 GLN HE2y A 80 LEU H 1.0 1.8 7.50 763 506 A 46 LEU H A 80 LEU H 1.0 1.8 6.51 764 507 A 80 LEU H A 48 PHE H 1.0 1.8 7.47 765 508 A 46 LEU H A 47 ASP H 1.0 1.8 6.87 766 509 A 49 ASP H A 47 ASP H 1.0 1.8 7.50 767 510 A 80 LEU H A 81 ASP H 1.0 1.8 7.32 768 511 A 47 ASP HA A 80 LEU H 1.0 1.8 6.43 769 512 A 47 ASP H A 46 LEU HA 1.0 1.8 5.24 770 513 A 80 LEU H A 85 GLN HGy 1.0 1.8 7.50 771 513 A 85 GLN HGx A 80 LEU H 1.0 1.8 7.50 772 514 A 80 LEU H A 79 VAL HB 1.0 1.8 6.50 773 515 A 47 ASP H A 47 ASP HBy 1.0 1.8 6.02 774 515 A 47 ASP HBx A 47 ASP H 1.0 1.8 6.02 775 516 A 47 ASP H A 47 ASP HBy 1.0 1.8 6.01 776 516 A 47 ASP HBx A 47 ASP H 1.0 1.8 6.01 777 517 A 80 LEU H A 80 LEU HBy 1.0 1.8 5.71 778 517 A 80 LEU HBx A 80 LEU H 1.0 1.8 5.71 779 518 A 80 LEU H A 79 VAL HGx% 1.0 1.8 5.71 780 518 A 79 VAL HGy% A 80 LEU H 1.0 1.8 5.71 781 519 A 47 ASP H A 46 LEU HDx% 1.0 1.8 6.06 782 519 A 46 LEU HDy% A 47 ASP H 1.0 1.8 6.06 783 520 A 80 LEU H A 80 LEU HDx% 1.0 1.8 5.99 784 520 A 80 LEU HDy% A 80 LEU H 1.0 1.8 5.99 785 521 A 46 LEU H A 85 GLN HGy 1.0 1.8 7.30 786 521 A 46 LEU H A 85 GLN HGx 1.0 1.8 7.30 787 522 A 46 LEU H A 79 VAL HGx% 1.0 1.8 6.10 788 522 A 46 LEU H A 79 VAL HGy% 1.0 1.8 6.10 789 523 A 46 LEU H A 80 LEU HBy 1.0 1.8 6.50 790 523 A 46 LEU H A 80 LEU HBx 1.0 1.8 6.50 791 524 A 46 LEU H A 45 HIS HA 1.0 1.8 5.50 792 525 A 46 LEU H A 45 HIS HBy 1.0 1.8 6.36 793 525 A 46 LEU H A 45 HIS HBx 1.0 1.8 6.36 794 526 A 45 HIS HD2 A 46 LEU H 1.0 1.8 7.50 795 527 A 46 LEU H A 85 GLN HE2y 1.0 1.8 5.91 796 528 A 70 ALA H A 51 TRP HE1 1.0 1.8 7.50 797 529 A 51 TRP HE1 A 69 PHE HBy 1.0 1.8 6.27 798 529 A 51 TRP HE1 A 69 PHE HBx 1.0 1.8 6.27 799 530 A 51 TRP HE1 A 66 GLU HA 1.0 1.8 7.50 800 531 A 51 TRP HE1 A 69 PHE HBy 1.0 1.8 6.25 801 531 A 51 TRP HE1 A 69 PHE HBx 1.0 1.8 6.25 802 532 A 51 TRP HE1 A 65 ILE HG1y 1.0 1.8 7.50 803 532 A 51 TRP HE1 A 65 ILE HG1x 1.0 1.8 7.50 804 533 A 51 TRP HE1 A 65 ILE HG2% 1.0 1.8 5.82 805 534 A 68 VAL HB A 51 TRP HE1 1.0 1.8 6.87 806 535 A 51 TRP HE1 A 68 VAL HGx% 1.0 1.8 6.85 807 535 A 68 VAL HGy% A 51 TRP HE1 1.0 1.8 6.85 808 536 A 51 TRP HE1 A 65 ILE HB 1.0 1.8 7.50 809 537 A 51 TRP HE1 A 55 LEU HDx% 1.0 1.8 7.36 810 537 A 55 LEU HDy% A 51 TRP HE1 1.0 1.8 7.36 811 538 A 85 GLN H A 81 ASP H 1.0 1.8 6.68 812 539 A 85 GLN HE2y A 81 ASP H 1.0 1.8 7.50 813 540 A 80 LEU HA A 81 ASP H 1.0 1.8 5.57 814 541 A 81 ASP H A 45 HIS HA 1.0 1.8 7.50 815 542 A 81 ASP H A 84 GLU HA 1.0 1.8 7.26 816 543 A 81 ASP H A 84 GLU HBy 1.0 1.8 6.08 817 543 A 81 ASP H A 84 GLU HBx 1.0 1.8 6.08 818 544 A 81 ASP H A 84 GLU HBy 1.0 1.8 6.11 819 544 A 81 ASP H A 84 GLU HBx 1.0 1.8 6.11 820 545 A 81 ASP H A 80 LEU HBy 1.0 1.8 6.37 821 545 A 80 LEU HBx A 81 ASP H 1.0 1.8 6.37 822 546 A 81 ASP H A 80 LEU HDx% 1.0 1.8 6.01 823 546 A 80 LEU HDy% A 81 ASP H 1.0 1.8 6.01 824 547 A 81 ASP H A 79 VAL HGx% 1.0 1.8 7.21 825 547 A 79 VAL HGy% A 81 ASP H 1.0 1.8 7.21 826 548 A 39 ASP HA A 40 ALA H 1.0 1.8 5.55 827 549 A 40 ALA H A 41 ASN HBy 1.0 1.8 7.50 828 549 A 41 ASN HBx A 40 ALA H 1.0 1.8 7.50 829 550 A 40 ALA HB% A 40 ALA H 1.0 1.8 5.34 830 551 A 40 ALA H A 46 LEU HDx% 1.0 1.8 6.72 831 551 A 40 ALA H A 46 LEU HDy% 1.0 1.8 6.72 832 552 A 31 ILE HD1% A 55 LEU HDx% 1.0 1.8 6.51 833 552 A 55 LEU HDy% A 31 ILE HD1% 1.0 1.8 6.51 834 553 A 31 ILE HD1% A 55 LEU HDx% 1.0 1.8 6.63 835 553 A 55 LEU HDy% A 31 ILE HD1% 1.0 1.8 6.63 836 554 A 28 ILE HD1% A 32 GLN H 1.0 1.8 7.50 837 555 A 28 ILE HD1% A 96 LYS H 1.0 1.8 6.92 838 556 A 28 ILE HD1% A 28 ILE H 1.0 1.8 6.12 839 557 A 28 ILE HD1% A 93 GLU H 1.0 1.8 7.50 840 558 A 28 ILE HD1% A 27 LYS HA 1.0 1.8 7.50 841 559 A 28 ILE HD1% A 28 ILE HA 1.0 1.8 6.48 842 560 A 28 ILE HD1% A 95 GLN HGy 1.0 1.8 7.18 843 560 A 95 GLN HGx A 28 ILE HD1% 1.0 1.8 7.18 844 561 A 28 ILE HD1% A 32 GLN HBy 1.0 1.8 6.95 845 561 A 28 ILE HD1% A 32 GLN HBx 1.0 1.8 6.95 846 562 A 28 ILE HD1% A 28 ILE HB 1.0 1.8 5.67 847 563 A 31 ILE HD1% A 32 GLN H 1.0 1.8 7.28 848 564 A 31 ILE HD1% A 31 ILE H 1.0 1.8 6.07 849 565 A 31 ILE HD1% A 51 TRP HZ3 1.0 1.8 7.50 850 566 A 31 ILE HD1% A 31 ILE HA 1.0 1.8 6.23 851 567 A 31 ILE HD1% A 27 LYS HEx 1.0 1.8 6.83 852 567 A 31 ILE HD1% A 27 LYS HEy 1.0 1.8 6.83 853 568 A 31 ILE HD1% A 30 ASP HBy 1.0 1.8 7.50 854 568 A 31 ILE HD1% A 30 ASP HBx 1.0 1.8 7.50 855 569 A 31 ILE HD1% A 58 ARG HDy 1.0 1.8 7.50 856 569 A 58 ARG HDx A 31 ILE HD1% 1.0 1.8 7.50 857 570 A 68 VAL HB A 31 ILE HD1% 1.0 1.8 7.28 858 571 A 31 ILE HD1% A 31 ILE HB 1.0 1.8 5.81 859 572 A 65 ILE HD1% A 55 LEU HDx% 1.0 1.8 6.79 860 572 A 55 LEU HDy% A 65 ILE HD1% 1.0 1.8 6.79 861 573 A 65 ILE HD1% A 55 LEU HDx% 1.0 1.8 6.50 862 573 A 55 LEU HDy% A 65 ILE HD1% 1.0 1.8 6.50 863 574 A 48 PHE HE% A 65 ILE HD1% 1.0 1.8 7.14 864 575 A 60 HIS HD2 A 65 ILE HD1% 1.0 1.8 7.50 865 576 A 65 ILE HD1% A 52 ARG HDy 1.0 1.8 7.06 866 576 A 52 ARG HDx A 65 ILE HD1% 1.0 1.8 7.06 867 577 A 65 ILE HD1% A 60 HIS HBy 1.0 1.8 6.07 868 577 A 60 HIS HBx A 65 ILE HD1% 1.0 1.8 6.07 869 578 A 65 ILE HD1% A 60 HIS HBy 1.0 1.8 6.34 870 578 A 60 HIS HBx A 65 ILE HD1% 1.0 1.8 6.34 871 579 A 65 ILE HB A 65 ILE HD1% 1.0 1.8 6.00 872 580 A 65 ILE HD1% A 56 LYS HGx 1.0 1.8 5.68 873 580 A 56 LYS HGy A 65 ILE HD1% 1.0 1.8 5.68 874 581 A 65 ILE HD1% A 55 LEU HBy 1.0 1.8 6.13 875 581 A 55 LEU HBx A 65 ILE HD1% 1.0 1.8 6.13 876 582 A 51 TRP HE1 A 65 ILE HD1% 1.0 1.8 7.50 877 583 A 56 LYS H A 65 ILE HD1% 1.0 1.8 6.60 878 584 A 52 ARG H A 65 ILE HD1% 1.0 1.8 7.50 879 585 A 62 ASP H A 65 ILE HD1% 1.0 1.8 7.50 880 586 A 65 ILE H A 65 ILE HD1% 1.0 1.8 6.16 881 587 A 42 ALA HB% A 44 GLN HA 1.0 1.8 7.50 882 588 A 44 GLN H A 42 ALA HB% 1.0 1.8 7.29 883 589 A 28 ILE HG2% A 29 ALA HB% 1.0 1.8 6.25 884 590 A 89 ALA HB% A 35 LEU HDx% 1.0 1.8 6.50 885 590 A 89 ALA HB% A 35 LEU HDy% 1.0 1.8 6.50 886 591 A 89 ALA HB% A 35 LEU HDx% 1.0 1.8 6.74 887 591 A 89 ALA HB% A 35 LEU HDy% 1.0 1.8 6.74 888 592 A 72 TYR H A 70 ALA HB% 1.0 1.8 7.50 889 593 A 70 ALA HB% A 73 ASP HBy 1.0 1.8 6.95 890 593 A 73 ASP HBx A 70 ALA HB% 1.0 1.8 6.95 891 594 A 70 ALA H A 70 ALA HB% 1.0 1.8 5.51 892 595 A 89 ALA HB% A 90 HIS HBx 1.0 1.8 7.14 893 595 A 90 HIS HBy A 89 ALA HB% 1.0 1.8 7.14 894 596 A 89 ALA HB% A 90 HIS HBx 1.0 1.8 7.50 895 596 A 90 HIS HBy A 89 ALA HB% 1.0 1.8 7.50 896 597 A 28 ILE HG2% A 32 GLN H 1.0 1.8 7.07 897 598 A 28 ILE HG2% A 96 LYS H 1.0 1.8 6.80 898 599 A 28 ILE HG2% A 28 ILE H 1.0 1.8 6.04 899 600 A 55 LEU H A 65 ILE HG2% 1.0 1.8 7.50 900 601 A 28 ILE HG2% A 32 GLN HE2y 1.0 1.8 7.50 901 602 A 65 ILE HG2% A 48 PHE HZ 1.0 1.8 6.56 902 603 A 56 LYS H A 65 ILE HG2% 1.0 1.8 7.50 903 604 A 52 ARG H A 65 ILE HG2% 1.0 1.8 7.23 904 605 A 65 ILE HG2% A 48 PHE HE% 1.0 1.8 6.42 905 606 A 28 ILE HG2% A 93 GLU HA 1.0 1.8 6.46 906 607 A 28 ILE HG2% A 28 ILE HA 1.0 1.8 6.06 907 608 A 52 ARG HA A 65 ILE HG2% 1.0 1.8 5.93 908 609 A 65 ILE HG2% A 52 ARG HDy 1.0 1.8 6.80 909 609 A 52 ARG HDx A 65 ILE HG2% 1.0 1.8 6.80 910 610 A 28 ILE HG2% A 96 LYS HEy 1.0 1.8 7.25 911 610 A 28 ILE HG2% A 96 LYS HEx 1.0 1.8 7.25 912 611 A 28 ILE HG2% A 95 GLN HGy 1.0 1.8 7.50 913 611 A 95 GLN HGx A 28 ILE HG2% 1.0 1.8 7.50 914 612 A 28 ILE HG2% A 28 ILE HG1y 1.0 1.8 5.86 915 612 A 28 ILE HG2% A 28 ILE HG1x 1.0 1.8 5.86 916 613 A 65 ILE HG2% A 55 LEU HDx% 1.0 1.8 7.12 917 613 A 55 LEU HDy% A 65 ILE HG2% 1.0 1.8 7.12 918 614 A 65 ILE HG2% A 55 LEU HDx% 1.0 1.8 6.49 919 614 A 55 LEU HDy% A 65 ILE HG2% 1.0 1.8 6.49 920 615 A 55 LEU HA A 34 ALA HB% 1.0 1.8 7.12 921 616 A 34 ALA HB% A 31 ILE HA 1.0 1.8 6.00 922 617 A 34 ALA HB% A 30 ASP HBy 1.0 1.8 7.50 923 617 A 34 ALA HB% A 30 ASP HBx 1.0 1.8 7.50 924 618 A 34 ALA HB% A 58 ARG HDy 1.0 1.8 6.78 925 618 A 58 ARG HDx A 34 ALA HB% 1.0 1.8 6.78 926 619 A 34 ALA HB% A 54 GLU HGy 1.0 1.8 6.26 927 619 A 54 GLU HGx A 34 ALA HB% 1.0 1.8 6.26 928 620 A 34 ALA HB% A 54 GLU HBx 1.0 1.8 6.76 929 620 A 34 ALA HB% A 54 GLU HBy 1.0 1.8 6.76 930 621 A 34 ALA HB% A 54 GLU HGy 1.0 1.8 5.94 931 621 A 54 GLU HGx A 34 ALA HB% 1.0 1.8 5.94 932 622 A 34 ALA HB% A 55 LEU HDx% 1.0 1.8 6.01 933 622 A 55 LEU HDy% A 34 ALA HB% 1.0 1.8 6.01 934 623 A 34 ALA HB% A 55 LEU HDx% 1.0 1.8 6.28 935 623 A 55 LEU HDy% A 34 ALA HB% 1.0 1.8 6.28 936 624 A 70 ALA HB% A 80 LEU HDx% 1.0 1.8 7.50 937 624 A 80 LEU HDy% A 70 ALA HB% 1.0 1.8 7.50 938 625 A 70 ALA H A 67 ALA HB% 1.0 1.8 7.49 939 626 A 36 ALA HB% A 38 ALA H 1.0 1.8 6.90 940 627 A 54 GLU H A 34 ALA HB% 1.0 1.8 6.82 941 628 A 67 ALA HB% A 64 ASP H 1.0 1.8 7.50 942 629 A 34 ALA HB% A 51 TRP HH2 1.0 1.8 7.27 943 630 A 34 ALA HB% A 51 TRP HZ3 1.0 1.8 7.29 944 631 A 85 GLN HE2y A 82 ALA HB% 1.0 1.8 7.42 945 632 A 31 ILE HG2% A 31 ILE H 1.0 1.8 6.22 946 633 A 31 ILE HG2% A 60 HIS HE1 1.0 1.8 7.50 947 634 A 28 ILE HA A 31 ILE HG2% 1.0 1.8 6.90 948 635 A 31 ILE HA A 31 ILE HG2% 1.0 1.8 5.92 949 636 A 31 ILE HG2% A 30 ASP HBy 1.0 1.8 7.50 950 636 A 30 ASP HBx A 31 ILE HG2% 1.0 1.8 7.50 951 637 A 68 VAL HB A 31 ILE HG2% 1.0 1.8 7.32 952 638 A 31 ILE HG2% A 32 GLN HGy 1.0 1.8 7.19 953 638 A 32 GLN HGx A 31 ILE HG2% 1.0 1.8 7.19 954 639 A 36 ALA HB% A 33 GLU HA 1.0 1.8 6.27 955 640 A 67 ALA HB% A 68 VAL HA 1.0 1.8 7.22 956 641 A 36 ALA HB% A 37 HIS HBy 1.0 1.8 7.50 957 641 A 37 HIS HBx A 36 ALA HB% 1.0 1.8 7.50 958 642 A 36 ALA HB% A 37 HIS HBy 1.0 1.8 7.39 959 642 A 37 HIS HBx A 36 ALA HB% 1.0 1.8 7.39 960 643 A 67 ALA HB% A 64 ASP HBx 1.0 1.8 7.07 961 643 A 67 ALA HB% A 64 ASP HBy 1.0 1.8 7.07 962 644 A 36 ALA HB% A 32 GLN HGy 1.0 1.8 7.30 963 644 A 36 ALA HB% A 32 GLN HGx 1.0 1.8 7.30 964 645 A 82 ALA HB% A 81 ASP HBy 1.0 1.8 6.62 965 645 A 82 ALA HB% A 81 ASP HBx 1.0 1.8 6.62 966 646 A 82 ALA HB% A 44 GLN HGx 1.0 1.8 6.93 967 646 A 44 GLN HGy A 82 ALA HB% 1.0 1.8 6.93 968 647 A 31 ILE HG2% A 31 ILE HG1y 1.0 1.8 5.72 969 647 A 31 ILE HG2% A 31 ILE HG1x 1.0 1.8 5.72 970 648 A 36 ALA HB% A 35 LEU HG 1.0 1.8 6.71 971 649 A 22 ALA HB% A 103 LEU HDx% 1.0 1.8 5.67 972 649 A 22 ALA HB% A 103 LEU HDy% 1.0 1.8 5.67 973 650 A 55 LEU HG A 34 ALA HB% 1.0 1.8 6.75 974 651 A 38 ALA HB% A 54 GLU H 1.0 1.8 6.39 975 652 A 38 ALA HB% A 51 TRP HZ3 1.0 1.8 7.50 976 653 A 38 ALA HB% A 35 LEU HA 1.0 1.8 6.43 977 654 A 61 ALA HB% A 64 ASP HBx 1.0 1.8 5.99 978 654 A 61 ALA HB% A 64 ASP HBy 1.0 1.8 5.99 979 655 A 38 ALA HB% A 50 GLU HBy 1.0 1.8 6.92 980 655 A 38 ALA HB% A 50 GLU HBx 1.0 1.8 6.92 981 656 A 38 ALA HB% A 54 GLU HGy 1.0 1.8 5.81 982 656 A 54 GLU HGx A 38 ALA HB% 1.0 1.8 5.81 983 657 A 38 ALA HB% A 54 GLU HBx 1.0 1.8 6.43 984 657 A 38 ALA HB% A 54 GLU HBy 1.0 1.8 6.43 985 658 A 38 ALA HB% A 54 GLU HBx 1.0 1.8 7.46 986 658 A 38 ALA HB% A 54 GLU HBy 1.0 1.8 7.46 987 659 A 38 ALA HB% A 55 LEU HDx% 1.0 1.8 7.50 988 659 A 38 ALA HB% A 55 LEU HDy% 1.0 1.8 7.50 989 660 A 38 ALA HB% A 55 LEU HDx% 1.0 1.8 7.50 990 660 A 38 ALA HB% A 55 LEU HDy% 1.0 1.8 7.50 991 661 A 31 ILE HG2% A 55 LEU HDx% 1.0 1.8 6.78 992 661 A 55 LEU HDy% A 31 ILE HG2% 1.0 1.8 6.78 993 662 A 31 ILE HG2% A 55 LEU HDx% 1.0 1.8 6.86 994 662 A 55 LEU HDy% A 31 ILE HG2% 1.0 1.8 6.86 995 663 A 61 ALA HB% A 65 ILE HG1y 1.0 1.8 7.15 996 663 A 65 ILE HG1x A 61 ALA HB% 1.0 1.8 7.15 997 664 A 15 VAL HGy% A 16 PRO HDy 1.0 1.8 6.64 998 664 A 16 PRO HDx A 15 VAL HGx% 1.0 1.8 6.64 999 664 A 16 PRO HDx A 15 VAL HGy% 1.0 1.8 6.64 1000 664 A 15 VAL HGx% A 16 PRO HDy 1.0 1.8 6.64 1001 665 A 15 VAL HGy% A 16 PRO HDy 1.0 1.8 7.06 1002 665 A 16 PRO HDx A 15 VAL HGx% 1.0 1.8 7.06 1003 665 A 16 PRO HDx A 15 VAL HGy% 1.0 1.8 7.06 1004 665 A 15 VAL HGx% A 16 PRO HDy 1.0 1.8 7.06 1005 666 A 48 PHE H A 79 VAL HGx% 1.0 1.8 6.99 1006 666 A 79 VAL HGy% A 48 PHE H 1.0 1.8 6.99 1007 667 A 79 VAL H A 79 VAL HGx% 1.0 1.8 6.15 1008 667 A 79 VAL HGy% A 79 VAL H 1.0 1.8 6.15 1009 668 A 75 ASP H A 74 VAL HGx% 1.0 1.8 6.64 1010 668 A 75 ASP H A 74 VAL HGy% 1.0 1.8 6.64 1011 669 A 74 VAL H A 74 VAL HGx% 1.0 1.8 6.13 1012 669 A 74 VAL H A 74 VAL HGy% 1.0 1.8 6.13 1013 670 A 45 HIS HD2 A 79 VAL HGx% 1.0 1.8 7.44 1014 670 A 45 HIS HD2 A 79 VAL HGy% 1.0 1.8 7.44 1015 671 A 74 VAL HA A 74 VAL HGx% 1.0 1.8 5.75 1016 671 A 74 VAL HGy% A 74 VAL HA 1.0 1.8 5.75 1017 672 A 47 ASP HBx A 79 VAL HGx% 1.0 1.8 6.44 1018 672 A 47 ASP HBy A 79 VAL HGx% 1.0 1.8 6.44 1019 672 A 79 VAL HGy% A 47 ASP HBy 1.0 1.8 6.44 1020 672 A 79 VAL HGy% A 47 ASP HBx 1.0 1.8 6.44 1021 673 A 74 VAL HGy% A 75 ASP HBy 1.0 1.8 7.04 1022 673 A 74 VAL HGx% A 75 ASP HBy 1.0 1.8 7.04 1023 673 A 75 ASP HBx A 74 VAL HGx% 1.0 1.8 7.04 1024 673 A 75 ASP HBx A 74 VAL HGy% 1.0 1.8 7.04 1025 674 A 74 VAL HGy% A 84 GLU HGy 1.0 1.8 7.38 1026 674 A 74 VAL HGx% A 84 GLU HGy 1.0 1.8 7.38 1027 674 A 84 GLU HGx A 74 VAL HGx% 1.0 1.8 7.38 1028 674 A 84 GLU HGx A 74 VAL HGy% 1.0 1.8 7.38 1029 675 A 47 ASP HBx A 79 VAL HGx% 1.0 1.8 6.29 1030 675 A 47 ASP HBy A 79 VAL HGx% 1.0 1.8 6.29 1031 675 A 79 VAL HGy% A 47 ASP HBy 1.0 1.8 6.29 1032 675 A 79 VAL HGy% A 47 ASP HBx 1.0 1.8 6.29 1033 676 A 74 VAL HGy% A 75 ASP HBy 1.0 1.8 7.49 1034 676 A 74 VAL HGx% A 75 ASP HBy 1.0 1.8 7.49 1035 676 A 75 ASP HBx A 74 VAL HGx% 1.0 1.8 7.49 1036 676 A 75 ASP HBx A 74 VAL HGy% 1.0 1.8 7.49 1037 677 A 74 VAL HGx% A 84 GLU HGy 1.0 1.8 7.50 1038 677 A 74 VAL HGy% A 84 GLU HGy 1.0 1.8 7.50 1039 677 A 84 GLU HGx A 74 VAL HGx% 1.0 1.8 7.50 1040 677 A 84 GLU HGx A 74 VAL HGy% 1.0 1.8 7.50 1041 678 A 77 ASP HBy A 79 VAL HGx% 1.0 1.8 7.48 1042 678 A 77 ASP HBx A 79 VAL HGx% 1.0 1.8 7.48 1043 678 A 79 VAL HGy% A 77 ASP HBy 1.0 1.8 7.48 1044 678 A 77 ASP HBx A 79 VAL HGy% 1.0 1.8 7.48 1045 679 A 74 VAL HGy% A 87 LYS HDx 1.0 1.8 7.50 1046 679 A 74 VAL HGx% A 87 LYS HDx 1.0 1.8 7.50 1047 679 A 87 LYS HDy A 74 VAL HGx% 1.0 1.8 7.50 1048 679 A 74 VAL HGy% A 87 LYS HDy 1.0 1.8 7.50 1049 680 A 74 VAL HGy% A 87 LYS HDx 1.0 1.8 7.50 1050 680 A 74 VAL HGx% A 87 LYS HDx 1.0 1.8 7.50 1051 680 A 87 LYS HDy A 74 VAL HGx% 1.0 1.8 7.50 1052 680 A 74 VAL HGy% A 87 LYS HDy 1.0 1.8 7.50 1053 681 A 75 ASP H A 74 VAL HGx% 1.0 1.8 6.09 1054 681 A 75 ASP H A 74 VAL HGy% 1.0 1.8 6.09 1055 682 A 74 VAL H A 74 VAL HGx% 1.0 1.8 5.52 1056 682 A 74 VAL H A 74 VAL HGy% 1.0 1.8 5.52 1057 683 A 74 VAL HA A 74 VAL HGx% 1.0 1.8 5.62 1058 683 A 74 VAL HGy% A 74 VAL HA 1.0 1.8 5.62 1059 684 A 15 VAL HGy% A 16 PRO HDy 1.0 1.8 6.48 1060 684 A 16 PRO HDx A 15 VAL HGx% 1.0 1.8 6.48 1061 684 A 16 PRO HDx A 15 VAL HGy% 1.0 1.8 6.48 1062 684 A 15 VAL HGx% A 16 PRO HDy 1.0 1.8 6.48 1063 685 A 72 TYR HBx A 74 VAL HGx% 1.0 1.8 6.65 1064 685 A 72 TYR HBy A 74 VAL HGx% 1.0 1.8 6.65 1065 685 A 74 VAL HGy% A 72 TYR HBy 1.0 1.8 6.65 1066 685 A 72 TYR HBx A 74 VAL HGy% 1.0 1.8 6.65 1067 686 A 74 VAL HGy% A 84 GLU HGy 1.0 1.8 6.44 1068 686 A 74 VAL HGx% A 84 GLU HGy 1.0 1.8 6.44 1069 686 A 84 GLU HGx A 74 VAL HGx% 1.0 1.8 6.44 1070 686 A 84 GLU HGx A 74 VAL HGy% 1.0 1.8 6.44 1071 687 A 74 VAL HGx% A 84 GLU HGy 1.0 1.8 6.27 1072 687 A 74 VAL HGy% A 84 GLU HGy 1.0 1.8 6.27 1073 687 A 84 GLU HGx A 74 VAL HGx% 1.0 1.8 6.27 1074 687 A 84 GLU HGx A 74 VAL HGy% 1.0 1.8 6.27 1075 688 A 74 VAL HGx% A 87 LYS HDx 1.0 1.8 6.69 1076 688 A 74 VAL HGy% A 87 LYS HDx 1.0 1.8 6.69 1077 688 A 87 LYS HDy A 74 VAL HGx% 1.0 1.8 6.69 1078 688 A 74 VAL HGy% A 87 LYS HDy 1.0 1.8 6.69 1079 689 A 74 VAL HGy% A 87 LYS HGx 1.0 1.8 7.50 1080 689 A 74 VAL HGx% A 87 LYS HGx 1.0 1.8 7.50 1081 689 A 87 LYS HGy A 74 VAL HGx% 1.0 1.8 7.50 1082 689 A 87 LYS HGy A 74 VAL HGy% 1.0 1.8 7.50 1083 690 A 74 VAL HGy% A 80 LEU HDx% 1.0 1.8 7.18 1084 690 A 74 VAL HGx% A 80 LEU HDx% 1.0 1.8 7.18 1085 690 A 80 LEU HDy% A 74 VAL HGx% 1.0 1.8 7.18 1086 690 A 80 LEU HDy% A 74 VAL HGy% 1.0 1.8 7.18 1087 691 A 79 VAL HGy% A 80 LEU HDx% 1.0 1.8 7.50 1088 691 A 79 VAL HGx% A 80 LEU HDx% 1.0 1.8 7.50 1089 691 A 80 LEU HDy% A 79 VAL HGx% 1.0 1.8 7.50 1090 691 A 80 LEU HDy% A 79 VAL HGy% 1.0 1.8 7.50 1091 692 A 74 VAL HGy% A 80 LEU HDx% 1.0 1.8 7.50 1092 692 A 74 VAL HGx% A 80 LEU HDx% 1.0 1.8 7.50 1093 692 A 80 LEU HDy% A 74 VAL HGx% 1.0 1.8 7.50 1094 692 A 80 LEU HDy% A 74 VAL HGy% 1.0 1.8 7.50 1095 693 A 71 LYS HGx A 92 LEU HDx% 1.0 1.8 7.50 1096 693 A 71 LYS HGy A 92 LEU HDx% 1.0 1.8 7.50 1097 693 A 92 LEU HDy% A 71 LYS HGy 1.0 1.8 7.50 1098 693 A 71 LYS HGx A 92 LEU HDy% 1.0 1.8 7.50 1099 694 A 55 LEU HDx% A 68 VAL HGx% 1.0 1.8 7.16 1100 694 A 55 LEU HDy% A 68 VAL HGx% 1.0 1.8 7.16 1101 694 A 68 VAL HGy% A 55 LEU HDx% 1.0 1.8 7.16 1102 694 A 55 LEU HDy% A 68 VAL HGy% 1.0 1.8 7.16 1103 695 A 51 TRP HH2 A 55 LEU HDx% 1.0 1.8 7.15 1104 695 A 55 LEU HDy% A 51 TRP HH2 1.0 1.8 7.15 1105 696 A 34 ALA HA A 55 LEU HDx% 1.0 1.8 7.50 1106 696 A 34 ALA HA A 55 LEU HDy% 1.0 1.8 7.50 1107 697 A 55 LEU HA A 55 LEU HDx% 1.0 1.8 6.01 1108 697 A 55 LEU HDy% A 55 LEU HA 1.0 1.8 6.01 1109 698 A 55 LEU HDy% A 58 ARG HDy 1.0 1.8 7.39 1110 698 A 58 ARG HDx A 55 LEU HDx% 1.0 1.8 7.39 1111 698 A 58 ARG HDx A 55 LEU HDy% 1.0 1.8 7.39 1112 698 A 55 LEU HDx% A 58 ARG HDy 1.0 1.8 7.39 1113 699 A 55 LEU HDy% A 60 HIS HBy 1.0 1.8 6.69 1114 699 A 60 HIS HBx A 55 LEU HDx% 1.0 1.8 6.69 1115 699 A 60 HIS HBx A 55 LEU HDy% 1.0 1.8 6.69 1116 699 A 55 LEU HDx% A 60 HIS HBy 1.0 1.8 6.69 1117 700 A 55 LEU HDx% A 58 ARG HDy 1.0 1.8 6.60 1118 700 A 55 LEU HDy% A 58 ARG HDy 1.0 1.8 6.60 1119 700 A 58 ARG HDx A 55 LEU HDx% 1.0 1.8 6.60 1120 700 A 58 ARG HDx A 55 LEU HDy% 1.0 1.8 6.60 1121 701 A 54 GLU HBx A 55 LEU HDx% 1.0 1.8 7.47 1122 701 A 54 GLU HBy A 55 LEU HDx% 1.0 1.8 7.47 1123 701 A 55 LEU HDy% A 54 GLU HBx 1.0 1.8 7.47 1124 701 A 55 LEU HDy% A 54 GLU HBy 1.0 1.8 7.47 1125 702 A 31 ILE HB A 55 LEU HDx% 1.0 1.8 7.50 1126 702 A 55 LEU HDy% A 31 ILE HB 1.0 1.8 7.50 1127 703 A 55 LEU HBx A 55 LEU HDx% 1.0 1.8 5.73 1128 703 A 55 LEU HDy% A 55 LEU HBy 1.0 1.8 5.73 1129 703 A 55 LEU HBx A 55 LEU HDy% 1.0 1.8 5.73 1130 703 A 55 LEU HBy A 55 LEU HDx% 1.0 1.8 5.73 1131 704 A 84 GLU H A 80 LEU HDx% 1.0 1.8 7.50 1132 704 A 80 LEU HDy% A 84 GLU H 1.0 1.8 7.50 1133 705 A 69 PHE HD% A 80 LEU HDx% 1.0 1.8 7.50 1134 705 A 80 LEU HDy% A 69 PHE HD% 1.0 1.8 7.50 1135 706 A 69 PHE HA A 80 LEU HDx% 1.0 1.8 7.50 1136 706 A 69 PHE HA A 80 LEU HDy% 1.0 1.8 7.50 1137 707 A 72 TYR HBx A 80 LEU HDx% 1.0 1.8 6.63 1138 707 A 72 TYR HBy A 80 LEU HDx% 1.0 1.8 6.63 1139 707 A 80 LEU HDy% A 72 TYR HBy 1.0 1.8 6.63 1140 707 A 72 TYR HBx A 80 LEU HDy% 1.0 1.8 6.63 1141 708 A 73 ASP HBy A 80 LEU HDx% 1.0 1.8 6.67 1142 708 A 73 ASP HBx A 80 LEU HDx% 1.0 1.8 6.67 1143 708 A 80 LEU HDy% A 73 ASP HBy 1.0 1.8 6.67 1144 708 A 73 ASP HBx A 80 LEU HDy% 1.0 1.8 6.67 1145 709 A 80 LEU HDy% A 84 GLU HGy 1.0 1.8 6.99 1146 709 A 80 LEU HDx% A 84 GLU HGy 1.0 1.8 6.99 1147 709 A 84 GLU HGx A 80 LEU HDx% 1.0 1.8 6.99 1148 709 A 80 LEU HDy% A 84 GLU HGx 1.0 1.8 6.99 1149 710 A 73 ASP HBy A 80 LEU HDx% 1.0 1.8 5.93 1150 710 A 73 ASP HBx A 80 LEU HDx% 1.0 1.8 5.93 1151 710 A 80 LEU HDy% A 73 ASP HBy 1.0 1.8 5.93 1152 710 A 73 ASP HBx A 80 LEU HDy% 1.0 1.8 5.93 1153 711 A 92 LEU H A 92 LEU HDx% 1.0 1.8 6.46 1154 711 A 92 LEU H A 92 LEU HDy% 1.0 1.8 6.46 1155 712 A 93 GLU H A 92 LEU HDx% 1.0 1.8 7.50 1156 712 A 93 GLU H A 92 LEU HDy% 1.0 1.8 7.50 1157 713 A 95 GLN HE2y A 92 LEU HDx% 1.0 1.8 7.50 1158 713 A 95 GLN HE2y A 92 LEU HDy% 1.0 1.8 7.50 1159 714 A 95 GLN HE2x A 92 LEU HDx% 1.0 1.8 7.50 1160 714 A 95 GLN HE2x A 92 LEU HDy% 1.0 1.8 7.50 1161 715 A 51 TRP HE1 A 68 VAL HGx% 1.0 1.8 7.16 1162 715 A 68 VAL HGy% A 51 TRP HE1 1.0 1.8 7.16 1163 716 A 70 ALA H A 68 VAL HGx% 1.0 1.8 7.50 1164 716 A 70 ALA H A 68 VAL HGy% 1.0 1.8 7.50 1165 717 A 68 VAL H A 68 VAL HGx% 1.0 1.8 6.45 1166 717 A 68 VAL H A 68 VAL HGy% 1.0 1.8 6.45 1167 718 A 79 VAL H A 79 VAL HGx% 1.0 1.8 6.82 1168 718 A 79 VAL HGy% A 79 VAL H 1.0 1.8 6.82 1169 719 A 85 GLN HE2y A 79 VAL HGx% 1.0 1.8 7.50 1170 719 A 85 GLN HE2y A 79 VAL HGy% 1.0 1.8 7.50 1171 720 A 32 GLN HGx A 92 LEU HDx% 1.0 1.8 7.50 1172 720 A 32 GLN HGy A 92 LEU HDx% 1.0 1.8 7.50 1173 720 A 92 LEU HDy% A 32 GLN HGy 1.0 1.8 7.50 1174 720 A 32 GLN HGx A 92 LEU HDy% 1.0 1.8 7.50 1175 721 A 92 LEU HDx% A 95 GLN HGy 1.0 1.8 7.50 1176 721 A 92 LEU HDy% A 95 GLN HGy 1.0 1.8 7.50 1177 721 A 95 GLN HGx A 92 LEU HDx% 1.0 1.8 7.50 1178 721 A 95 GLN HGx A 92 LEU HDy% 1.0 1.8 7.50 1179 722 A 68 VAL HA A 68 VAL HGx% 1.0 1.8 6.06 1180 722 A 68 VAL HGy% A 68 VAL HA 1.0 1.8 6.06 1181 723 A 65 ILE HA A 68 VAL HGx% 1.0 1.8 7.44 1182 723 A 68 VAL HGy% A 65 ILE HA 1.0 1.8 7.44 1183 724 A 69 PHE HA A 68 VAL HGx% 1.0 1.8 6.87 1184 724 A 69 PHE HA A 68 VAL HGy% 1.0 1.8 6.87 1185 725 A 45 HIS HBy A 79 VAL HGx% 1.0 1.8 5.92 1186 725 A 45 HIS HBx A 79 VAL HGx% 1.0 1.8 5.92 1187 725 A 79 VAL HGy% A 45 HIS HBy 1.0 1.8 5.92 1188 725 A 45 HIS HBx A 79 VAL HGy% 1.0 1.8 5.92 1189 726 A 68 VAL HGy% A 69 PHE HBy 1.0 1.8 7.07 1190 726 A 68 VAL HGx% A 69 PHE HBy 1.0 1.8 7.07 1191 726 A 69 PHE HBx A 68 VAL HGx% 1.0 1.8 7.07 1192 726 A 68 VAL HGy% A 69 PHE HBx 1.0 1.8 7.07 1193 727 A 45 HIS HBy A 79 VAL HGx% 1.0 1.8 6.03 1194 727 A 45 HIS HBx A 79 VAL HGx% 1.0 1.8 6.03 1195 727 A 79 VAL HGy% A 45 HIS HBy 1.0 1.8 6.03 1196 727 A 45 HIS HBx A 79 VAL HGy% 1.0 1.8 6.03 1197 728 A 47 ASP HBx A 79 VAL HGx% 1.0 1.8 6.85 1198 728 A 47 ASP HBy A 79 VAL HGx% 1.0 1.8 6.85 1199 728 A 79 VAL HGy% A 47 ASP HBy 1.0 1.8 6.85 1200 728 A 79 VAL HGy% A 47 ASP HBx 1.0 1.8 6.85 1201 729 A 31 ILE HB A 68 VAL HGx% 1.0 1.8 7.20 1202 729 A 68 VAL HGy% A 31 ILE HB 1.0 1.8 7.20 1203 730 A 31 ILE HG1y A 68 VAL HGx% 1.0 1.8 6.83 1204 730 A 31 ILE HG1x A 68 VAL HGx% 1.0 1.8 6.83 1205 730 A 68 VAL HGy% A 31 ILE HG1y 1.0 1.8 6.83 1206 730 A 68 VAL HGy% A 31 ILE HG1x 1.0 1.8 6.83 1207 731 A 68 VAL HGy% A 92 LEU HDx% 1.0 1.8 5.85 1208 731 A 68 VAL HGx% A 92 LEU HDx% 1.0 1.8 5.85 1209 731 A 92 LEU HDy% A 68 VAL HGx% 1.0 1.8 5.85 1210 731 A 68 VAL HGy% A 92 LEU HDy% 1.0 1.8 5.85 1211 732 A 31 ILE HG2% A 68 VAL HGx% 1.0 1.8 5.95 1212 732 A 68 VAL HGy% A 31 ILE HG2% 1.0 1.8 5.95 1213 733 A 31 ILE HD1% A 68 VAL HGx% 1.0 1.8 5.72 1214 733 A 68 VAL HGy% A 31 ILE HD1% 1.0 1.8 5.72 1215 734 A 65 ILE H A 68 VAL HGx% 1.0 1.8 7.50 1216 734 A 68 VAL HGy% A 65 ILE H 1.0 1.8 7.50 1217 735 A 68 VAL HA A 68 VAL HGx% 1.0 1.8 5.67 1218 735 A 68 VAL HGy% A 68 VAL HA 1.0 1.8 5.67 1219 736 A 64 ASP HBx A 68 VAL HGx% 1.0 1.8 6.60 1220 736 A 64 ASP HBy A 68 VAL HGx% 1.0 1.8 6.60 1221 736 A 68 VAL HGy% A 64 ASP HBx 1.0 1.8 6.60 1222 736 A 68 VAL HGy% A 64 ASP HBy 1.0 1.8 6.60 1223 737 A 31 ILE HB A 68 VAL HGx% 1.0 1.8 7.02 1224 737 A 68 VAL HGy% A 31 ILE HB 1.0 1.8 7.02 1225 738 A 65 ILE HG1y A 68 VAL HGx% 1.0 1.8 6.83 1226 738 A 65 ILE HG1x A 68 VAL HGx% 1.0 1.8 6.83 1227 738 A 68 VAL HGy% A 65 ILE HG1y 1.0 1.8 6.83 1228 738 A 68 VAL HGy% A 65 ILE HG1x 1.0 1.8 6.83 1229 739 A 67 ALA HB% A 68 VAL HGx% 1.0 1.8 5.80 1230 739 A 67 ALA HB% A 68 VAL HGy% 1.0 1.8 5.80 1231 740 A 99 LEU HA A 99 LEU HDx% 1.0 1.8 5.91 1232 740 A 99 LEU HDy% A 99 LEU HA 1.0 1.8 5.91 1233 741 A 95 GLN HGx A 99 LEU HDx% 1.0 1.8 6.29 1234 741 A 95 GLN HGy A 99 LEU HDx% 1.0 1.8 6.29 1235 741 A 99 LEU HDy% A 95 GLN HGy 1.0 1.8 6.29 1236 741 A 95 GLN HGx A 99 LEU HDy% 1.0 1.8 6.29 1237 742 A 103 LEU H A 103 LEU HDx% 1.0 1.8 6.21 1238 742 A 103 LEU HDy% A 103 LEU H 1.0 1.8 6.21 1239 743 A 15 VAL H A 14 LEU HDx% 1.0 1.8 7.20 1240 743 A 14 LEU HDy% A 15 VAL H 1.0 1.8 7.20 1241 744 A 70 ALA H A 68 VAL HGx% 1.0 1.8 7.50 1242 744 A 70 ALA H A 68 VAL HGy% 1.0 1.8 7.50 1243 745 A 55 LEU HDy% A 60 HIS HBy 1.0 1.8 7.13 1244 745 A 55 LEU HDx% A 60 HIS HBy 1.0 1.8 7.13 1245 745 A 60 HIS HBx A 55 LEU HDx% 1.0 1.8 7.13 1246 745 A 60 HIS HBx A 55 LEU HDy% 1.0 1.8 7.13 1247 746 A 68 VAL HB A 55 LEU HDx% 1.0 1.8 7.07 1248 746 A 55 LEU HDy% A 68 VAL HB 1.0 1.8 7.07 1249 747 A 54 GLU HBx A 55 LEU HDx% 1.0 1.8 7.50 1250 747 A 54 GLU HBy A 55 LEU HDx% 1.0 1.8 7.50 1251 747 A 55 LEU HDy% A 54 GLU HBx 1.0 1.8 7.50 1252 747 A 55 LEU HDy% A 54 GLU HBy 1.0 1.8 7.50 1253 748 A 65 ILE HB A 55 LEU HDx% 1.0 1.8 7.50 1254 748 A 55 LEU HDy% A 65 ILE HB 1.0 1.8 7.50 1255 749 A 31 ILE HG1y A 55 LEU HDx% 1.0 1.8 6.41 1256 749 A 55 LEU HDy% A 31 ILE HG1y 1.0 1.8 6.41 1257 749 A 55 LEU HDy% A 31 ILE HG1x 1.0 1.8 6.41 1258 749 A 31 ILE HG1x A 55 LEU HDx% 1.0 1.8 6.41 1259 750 A 55 LEU HBx A 55 LEU HDx% 1.0 1.8 5.68 1260 750 A 55 LEU HDy% A 55 LEU HBy 1.0 1.8 5.68 1261 750 A 55 LEU HBx A 55 LEU HDy% 1.0 1.8 5.68 1262 750 A 55 LEU HBy A 55 LEU HDx% 1.0 1.8 5.68 1263 751 A 55 LEU HDx% A 68 VAL HGx% 1.0 1.8 7.50 1264 751 A 55 LEU HDy% A 68 VAL HGx% 1.0 1.8 7.50 1265 751 A 68 VAL HGy% A 55 LEU HDx% 1.0 1.8 7.50 1266 751 A 55 LEU HDy% A 68 VAL HGy% 1.0 1.8 7.50 1267 752 A 35 LEU HA A 35 LEU HDx% 1.0 1.8 6.15 1268 752 A 35 LEU HDy% A 35 LEU HA 1.0 1.8 6.15 1269 753 A 99 LEU HBx A 99 LEU HDx% 1.0 1.8 5.51 1270 753 A 99 LEU HBy A 99 LEU HDx% 1.0 1.8 5.51 1271 753 A 99 LEU HDy% A 99 LEU HBy 1.0 1.8 5.51 1272 753 A 99 LEU HBx A 99 LEU HDy% 1.0 1.8 5.51 1273 754 A 51 TRP HH2 A 35 LEU HDx% 1.0 1.8 7.44 1274 754 A 35 LEU HDy% A 51 TRP HH2 1.0 1.8 7.44 1275 755 A 51 TRP HE1 A 55 LEU HDx% 1.0 1.8 7.28 1276 755 A 55 LEU HDy% A 51 TRP HE1 1.0 1.8 7.28 1277 756 A 65 ILE H A 55 LEU HDx% 1.0 1.8 7.31 1278 756 A 55 LEU HDy% A 65 ILE H 1.0 1.8 7.31 1279 757 A 35 LEU H A 35 LEU HDx% 1.0 1.8 6.79 1280 757 A 35 LEU H A 35 LEU HDy% 1.0 1.8 6.79 1281 758 A 57 CYS H A 56 LYS HGx 1.0 1.8 7.50 1282 758 A 57 CYS H A 56 LYS HGy 1.0 1.8 7.50 1283 759 A 22 ALA HA A 103 LEU HDx% 1.0 1.8 6.77 1284 759 A 103 LEU HDy% A 22 ALA HA 1.0 1.8 6.77 1285 760 A 96 LYS H A 96 LYS HGy 1.0 1.8 7.36 1286 760 A 96 LYS H A 96 LYS HGx 1.0 1.8 7.36 1287 761 A 25 ARG H A 24 LYS HGy 1.0 1.8 7.17 1288 761 A 25 ARG H A 24 LYS HGx 1.0 1.8 7.17 1289 762 A 20 HIS HE1 A 24 LYS HGy 1.0 1.8 7.21 1290 762 A 24 LYS HGx A 20 HIS HE1 1.0 1.8 7.21 1291 763 A 27 LYS H A 27 LYS HGy 1.0 1.8 6.85 1292 763 A 27 LYS H A 27 LYS HGx 1.0 1.8 6.85 1293 764 A 51 TRP HE3 A 46 LEU HDx% 1.0 1.8 6.39 1294 764 A 46 LEU HDy% A 51 TRP HE3 1.0 1.8 6.39 1295 765 A 69 PHE HE% A 46 LEU HDx% 1.0 1.8 7.50 1296 765 A 46 LEU HDy% A 69 PHE HE% 1.0 1.8 7.50 1297 766 A 69 PHE HE% A 80 LEU HG 1.0 1.8 7.50 1298 767 A 51 TRP HZ3 A 46 LEU HDx% 1.0 1.8 7.26 1299 767 A 46 LEU HDy% A 51 TRP HZ3 1.0 1.8 7.26 1300 768 A 46 LEU HA A 46 LEU HDx% 1.0 1.8 7.04 1301 768 A 46 LEU HDy% A 46 LEU HA 1.0 1.8 7.04 1302 769 A 35 LEU HA A 46 LEU HDx% 1.0 1.8 7.17 1303 769 A 46 LEU HDy% A 35 LEU HA 1.0 1.8 7.17 1304 770 A 46 LEU HDx% A 51 TRP HBy 1.0 1.8 6.82 1305 770 A 46 LEU HDy% A 51 TRP HBy 1.0 1.8 6.82 1306 770 A 51 TRP HBx A 46 LEU HDx% 1.0 1.8 6.82 1307 770 A 46 LEU HDy% A 51 TRP HBx 1.0 1.8 6.82 1308 771 A 39 ASP HBy A 46 LEU HDx% 1.0 1.8 6.30 1309 771 A 39 ASP HBx A 46 LEU HDx% 1.0 1.8 6.30 1310 771 A 46 LEU HDy% A 39 ASP HBy 1.0 1.8 6.30 1311 771 A 39 ASP HBx A 46 LEU HDy% 1.0 1.8 6.30 1312 772 A 46 LEU HDy% A 50 GLU HBy 1.0 1.8 5.93 1313 772 A 50 GLU HBx A 46 LEU HDx% 1.0 1.8 5.93 1314 772 A 46 LEU HDy% A 50 GLU HBx 1.0 1.8 5.93 1315 772 A 46 LEU HDx% A 50 GLU HBy 1.0 1.8 5.93 1316 773 A 80 LEU HG A 84 GLU HBy 1.0 1.8 7.29 1317 773 A 84 GLU HBx A 80 LEU HG 1.0 1.8 7.29 1318 774 A 80 LEU HG A 84 GLU HBy 1.0 1.8 7.24 1319 774 A 84 GLU HBx A 80 LEU HG 1.0 1.8 7.24 1320 775 A 38 ALA HB% A 46 LEU HDx% 1.0 1.8 5.64 1321 775 A 38 ALA HB% A 46 LEU HDy% 1.0 1.8 5.64 1322 776 A 99 LEU HBy A 99 LEU HDx% 1.0 1.8 5.72 1323 776 A 99 LEU HBx A 99 LEU HDx% 1.0 1.8 5.72 1324 776 A 99 LEU HDy% A 99 LEU HBy 1.0 1.8 5.72 1325 776 A 99 LEU HBx A 99 LEU HDy% 1.0 1.8 5.72 1326 777 A 105 GLU HBy A 106 LEU HDx% 1.0 1.8 6.17 1327 777 A 105 GLU HBx A 106 LEU HDx% 1.0 1.8 6.17 1328 777 A 106 LEU HDy% A 105 GLU HBy 1.0 1.8 6.17 1329 777 A 106 LEU HDy% A 105 GLU HBx 1.0 1.8 6.17 1330 778 A 103 LEU HBy A 103 LEU HDx% 1.0 1.8 5.35 1331 778 A 103 LEU HBx A 103 LEU HDx% 1.0 1.8 5.35 1332 778 A 103 LEU HDy% A 103 LEU HBy 1.0 1.8 5.35 1333 778 A 103 LEU HDy% A 103 LEU HBx 1.0 1.8 5.35 1334 779 A 103 LEU HBy A 103 LEU HDx% 1.0 1.8 5.65 1335 779 A 103 LEU HBx A 103 LEU HDx% 1.0 1.8 5.65 1336 779 A 103 LEU HDy% A 103 LEU HBy 1.0 1.8 5.65 1337 779 A 103 LEU HDy% A 103 LEU HBx 1.0 1.8 5.65 1338 780 A 87 LYS H A 87 LYS HGx 1.0 1.8 6.85 1339 780 A 87 LYS HGy A 87 LYS H 1.0 1.8 6.85 1340 781 A 72 TYR HD% A 87 LYS HGx 1.0 1.8 7.50 1341 781 A 87 LYS HGy A 72 TYR HD% 1.0 1.8 7.50 1342 782 A 99 LEU H A 99 LEU HDx% 1.0 1.8 6.76 1343 782 A 99 LEU H A 99 LEU HDy% 1.0 1.8 6.76 1344 783 A 80 LEU H A 80 LEU HDx% 1.0 1.8 7.23 1345 783 A 80 LEU HDy% A 80 LEU H 1.0 1.8 7.23 1346 784 A 72 TYR HD% A 80 LEU HDx% 1.0 1.8 7.50 1347 784 A 80 LEU HDy% A 72 TYR HD% 1.0 1.8 7.50 1348 785 A 51 TRP HE3 A 80 LEU HDx% 1.0 1.8 7.50 1349 785 A 80 LEU HDy% A 51 TRP HE3 1.0 1.8 7.50 1350 786 A 69 PHE HE% A 80 LEU HDx% 1.0 1.8 6.64 1351 786 A 80 LEU HDy% A 69 PHE HE% 1.0 1.8 6.64 1352 787 A 69 PHE HD% A 80 LEU HDx% 1.0 1.8 6.93 1353 787 A 80 LEU HDy% A 69 PHE HD% 1.0 1.8 6.93 1354 788 A 72 TYR HBx A 80 LEU HDx% 1.0 1.8 7.50 1355 788 A 72 TYR HBy A 80 LEU HDx% 1.0 1.8 7.50 1356 788 A 80 LEU HDy% A 72 TYR HBy 1.0 1.8 7.50 1357 788 A 72 TYR HBx A 80 LEU HDy% 1.0 1.8 7.50 1358 789 A 80 LEU HDy% A 85 GLN HGy 1.0 1.8 7.23 1359 789 A 80 LEU HDx% A 85 GLN HGy 1.0 1.8 7.23 1360 789 A 85 GLN HGx A 80 LEU HDx% 1.0 1.8 7.23 1361 789 A 80 LEU HDy% A 85 GLN HGx 1.0 1.8 7.23 1362 790 A 80 LEU HDy% A 88 MET HBy 1.0 1.8 7.50 1363 790 A 80 LEU HDx% A 88 MET HBy 1.0 1.8 7.50 1364 790 A 88 MET HBx A 80 LEU HDx% 1.0 1.8 7.50 1365 790 A 80 LEU HDy% A 88 MET HBx 1.0 1.8 7.50 1366 791 A 57 CYS H A 57 CYS HBy 1.0 1.8 6.13 1367 791 A 57 CYS H A 57 CYS HBx 1.0 1.8 6.13 1368 792 A 58 ARG H A 57 CYS HBy 1.0 1.8 7.01 1369 792 A 58 ARG H A 57 CYS HBx 1.0 1.8 7.01 1370 793 A 58 ARG H A 57 CYS HBy 1.0 1.8 6.97 1371 793 A 58 ARG H A 57 CYS HBx 1.0 1.8 6.97 1372 794 A 54 GLU HA A 57 CYS HBy 1.0 1.8 7.50 1373 794 A 57 CYS HBx A 54 GLU HA 1.0 1.8 7.50 1374 795 A 54 GLU HA A 57 CYS HBy 1.0 1.8 7.50 1375 795 A 57 CYS HBx A 54 GLU HA 1.0 1.8 7.50 1376 796 A 82 ALA HB% A 44 GLN HBy 1.0 1.8 7.50 1377 796 A 82 ALA HB% A 44 GLN HBx 1.0 1.8 7.50 1378 797 A 82 ALA HB% A 44 GLN HBy 1.0 1.8 7.50 1379 797 A 82 ALA HB% A 44 GLN HBx 1.0 1.8 7.50 1380 798 A 46 LEU HDx% A 80 LEU HDx% 1.0 1.8 6.25 1381 798 A 80 LEU HDy% A 46 LEU HDx% 1.0 1.8 6.25 1382 798 A 80 LEU HDy% A 46 LEU HDy% 1.0 1.8 6.25 1383 798 A 46 LEU HDy% A 80 LEU HDx% 1.0 1.8 6.25 1384 799 A 47 ASP H A 46 LEU HDx% 1.0 1.8 7.50 1385 799 A 46 LEU HDy% A 47 ASP H 1.0 1.8 7.50 1386 800 A 46 LEU H A 46 LEU HDx% 1.0 1.8 7.50 1387 800 A 46 LEU H A 46 LEU HDy% 1.0 1.8 7.50 1388 801 A 51 TRP HE3 A 46 LEU HDx% 1.0 1.8 6.34 1389 801 A 46 LEU HDy% A 51 TRP HE3 1.0 1.8 6.34 1390 802 A 51 TRP HH2 A 46 LEU HDx% 1.0 1.8 7.50 1391 802 A 46 LEU HDy% A 51 TRP HH2 1.0 1.8 7.50 1392 803 A 51 TRP HZ3 A 46 LEU HDx% 1.0 1.8 6.80 1393 803 A 46 LEU HDy% A 51 TRP HZ3 1.0 1.8 6.80 1394 804 A 39 ASP HBy A 46 LEU HDx% 1.0 1.8 7.50 1395 804 A 39 ASP HBx A 46 LEU HDx% 1.0 1.8 7.50 1396 804 A 46 LEU HDy% A 39 ASP HBy 1.0 1.8 7.50 1397 804 A 39 ASP HBx A 46 LEU HDy% 1.0 1.8 7.50 1398 805 A 46 LEU HDy% A 50 GLU HBy 1.0 1.8 7.50 1399 805 A 46 LEU HDx% A 50 GLU HBy 1.0 1.8 7.50 1400 805 A 50 GLU HBx A 46 LEU HDx% 1.0 1.8 7.50 1401 805 A 46 LEU HDy% A 50 GLU HBx 1.0 1.8 7.50 1402 806 A 46 LEU HDx% A 85 GLN HBy 1.0 1.8 7.42 1403 806 A 46 LEU HDy% A 85 GLN HBy 1.0 1.8 7.42 1404 806 A 85 GLN HBx A 46 LEU HDx% 1.0 1.8 7.42 1405 806 A 85 GLN HBx A 46 LEU HDy% 1.0 1.8 7.42 1406 807 A 38 ALA HB% A 46 LEU HDx% 1.0 1.8 5.86 1407 807 A 38 ALA HB% A 46 LEU HDy% 1.0 1.8 5.86 1408 808 A 92 LEU H A 92 LEU HDx% 1.0 1.8 6.14 1409 808 A 92 LEU H A 92 LEU HDy% 1.0 1.8 6.14 1410 809 A 93 GLU H A 92 LEU HDx% 1.0 1.8 7.16 1411 809 A 93 GLU H A 92 LEU HDy% 1.0 1.8 7.16 1412 810 A 95 GLN HE2x A 92 LEU HDx% 1.0 1.8 7.50 1413 810 A 95 GLN HE2x A 92 LEU HDy% 1.0 1.8 7.50 1414 811 A 92 LEU HA A 92 LEU HDx% 1.0 1.8 6.73 1415 811 A 92 LEU HDy% A 92 LEU HA 1.0 1.8 6.73 1416 812 A 89 ALA HA A 92 LEU HDx% 1.0 1.8 6.31 1417 812 A 89 ALA HA A 92 LEU HDy% 1.0 1.8 6.31 1418 813 A 28 ILE HA A 92 LEU HDx% 1.0 1.8 7.50 1419 813 A 28 ILE HA A 92 LEU HDy% 1.0 1.8 7.50 1420 814 A 32 GLN HGx A 92 LEU HDx% 1.0 1.8 6.66 1421 814 A 32 GLN HGy A 92 LEU HDx% 1.0 1.8 6.66 1422 814 A 92 LEU HDy% A 32 GLN HGy 1.0 1.8 6.66 1423 814 A 32 GLN HGx A 92 LEU HDy% 1.0 1.8 6.66 1424 815 A 32 GLN HBy A 92 LEU HDx% 1.0 1.8 6.43 1425 815 A 32 GLN HBx A 92 LEU HDx% 1.0 1.8 6.43 1426 815 A 92 LEU HDy% A 32 GLN HBy 1.0 1.8 6.43 1427 815 A 32 GLN HBx A 92 LEU HDy% 1.0 1.8 6.43 1428 816 A 88 MET HGx A 92 LEU HDx% 1.0 1.8 6.13 1429 816 A 88 MET HGy A 92 LEU HDx% 1.0 1.8 6.13 1430 816 A 92 LEU HDy% A 88 MET HGy 1.0 1.8 6.13 1431 816 A 88 MET HGx A 92 LEU HDy% 1.0 1.8 6.13 1432 817 A 92 LEU HBy A 92 LEU HDx% 1.0 1.8 5.89 1433 817 A 92 LEU HBx A 92 LEU HDx% 1.0 1.8 5.89 1434 817 A 92 LEU HDy% A 92 LEU HBy 1.0 1.8 5.89 1435 817 A 92 LEU HBx A 92 LEU HDy% 1.0 1.8 5.89 1436 818 A 35 LEU H A 35 LEU HG 1.0 1.8 6.37 1437 819 A 25 ARG H A 25 ARG HGy 1.0 1.8 6.89 1438 819 A 25 ARG H A 25 ARG HGx 1.0 1.8 6.89 1439 820 A 36 ALA H A 35 LEU HG 1.0 1.8 7.50 1440 821 A 51 TRP HZ3 A 35 LEU HG 1.0 1.8 7.50 1441 822 A 52 ARG H A 52 ARG HGx 1.0 1.8 7.49 1442 822 A 52 ARG HGy A 52 ARG H 1.0 1.8 7.49 1443 823 A 103 LEU H A 103 LEU HG 1.0 1.8 6.33 1444 824 A 53 GLN H A 52 ARG HGx 1.0 1.8 7.50 1445 824 A 53 GLN H A 52 ARG HGy 1.0 1.8 7.50 1446 825 A 46 LEU H A 46 LEU HG 1.0 1.8 7.50 1447 826 A 85 GLN HE2y A 46 LEU HG 1.0 1.8 7.50 1448 827 A 65 ILE HD1% A 52 ARG HGx 1.0 1.8 7.02 1449 827 A 52 ARG HGy A 65 ILE HD1% 1.0 1.8 7.02 1450 828 A 65 ILE HD1% A 52 ARG HGx 1.0 1.8 6.99 1451 828 A 52 ARG HGy A 65 ILE HD1% 1.0 1.8 6.99 1452 829 A 92 LEU HG A 32 GLN HGy 1.0 1.8 7.50 1453 829 A 32 GLN HGx A 92 LEU HG 1.0 1.8 7.50 1454 830 A 53 GLN H A 53 GLN HBy 1.0 1.8 6.18 1455 830 A 53 GLN H A 53 GLN HBx 1.0 1.8 6.18 1456 831 A 54 GLU H A 53 GLN HBy 1.0 1.8 6.76 1457 831 A 53 GLN HBx A 54 GLU H 1.0 1.8 6.76 1458 832 A 54 GLU H A 53 GLN HBy 1.0 1.8 6.74 1459 832 A 53 GLN HBx A 54 GLU H 1.0 1.8 6.74 1460 833 A 89 ALA H A 90 HIS HBx 1.0 1.8 7.23 1461 833 A 90 HIS HBy A 89 ALA H 1.0 1.8 7.23 1462 834 A 52 ARG HGx A 53 GLN HBy 1.0 1.8 7.44 1463 834 A 52 ARG HGy A 53 GLN HBy 1.0 1.8 7.44 1464 834 A 53 GLN HBx A 52 ARG HGx 1.0 1.8 7.44 1465 834 A 52 ARG HGy A 53 GLN HBx 1.0 1.8 7.44 1466 835 A 52 ARG HGx A 53 GLN HBy 1.0 1.8 7.38 1467 835 A 52 ARG HGy A 53 GLN HBy 1.0 1.8 7.38 1468 835 A 53 GLN HBx A 52 ARG HGx 1.0 1.8 7.38 1469 835 A 52 ARG HGy A 53 GLN HBx 1.0 1.8 7.38 1470 836 A 64 ASP H A 65 ILE HG1y 1.0 1.8 7.50 1471 836 A 65 ILE HG1x A 64 ASP H 1.0 1.8 7.50 1472 837 A 58 ARG H A 58 ARG HGx 1.0 1.8 7.36 1473 837 A 58 ARG H A 58 ARG HGy 1.0 1.8 7.36 1474 838 A 55 LEU HG A 60 HIS HD2 1.0 1.8 7.50 1475 839 A 72 TYR HE% A 87 LYS HDx 1.0 1.8 7.50 1476 839 A 72 TYR HE% A 87 LYS HDy 1.0 1.8 7.50 1477 840 A 60 HIS HBx A 65 ILE HG1y 1.0 1.8 7.37 1478 840 A 60 HIS HBy A 65 ILE HG1y 1.0 1.8 7.37 1479 840 A 65 ILE HG1x A 60 HIS HBy 1.0 1.8 7.37 1480 840 A 60 HIS HBx A 65 ILE HG1x 1.0 1.8 7.37 1481 841 A 60 HIS HBx A 65 ILE HG1y 1.0 1.8 7.50 1482 841 A 60 HIS HBy A 65 ILE HG1y 1.0 1.8 7.50 1483 841 A 65 ILE HG1x A 60 HIS HBy 1.0 1.8 7.50 1484 841 A 60 HIS HBx A 65 ILE HG1x 1.0 1.8 7.50 1485 842 A 55 LEU HG A 60 HIS HBy 1.0 1.8 7.50 1486 842 A 60 HIS HBx A 55 LEU HG 1.0 1.8 7.50 1487 843 A 56 LYS HGx A 65 ILE HG1y 1.0 1.8 7.50 1488 843 A 65 ILE HG1x A 56 LYS HGx 1.0 1.8 7.50 1489 843 A 65 ILE HG1x A 56 LYS HGy 1.0 1.8 7.50 1490 843 A 56 LYS HGy A 65 ILE HG1y 1.0 1.8 7.50 1491 844 A 56 LYS HGx A 65 ILE HG1y 1.0 1.8 7.50 1492 844 A 65 ILE HG1x A 56 LYS HGx 1.0 1.8 7.50 1493 844 A 65 ILE HG1x A 56 LYS HGy 1.0 1.8 7.50 1494 844 A 56 LYS HGy A 65 ILE HG1y 1.0 1.8 7.50 1495 845 A 38 ALA HB% A 55 LEU HG 1.0 1.8 7.47 1496 846 A 28 ILE H A 28 ILE HG1y 1.0 1.8 6.53 1497 846 A 28 ILE H A 28 ILE HG1x 1.0 1.8 6.53 1498 847 A 93 GLU H A 93 GLU HBx 1.0 1.8 6.11 1499 847 A 93 GLU H A 93 GLU HBy 1.0 1.8 6.11 1500 848 A 32 GLN HE2y A 93 GLU HBx 1.0 1.8 7.50 1501 848 A 32 GLN HE2y A 93 GLU HBy 1.0 1.8 7.50 1502 849 A 32 GLN HE2y A 32 GLN HBy 1.0 1.8 7.27 1503 849 A 32 GLN HE2y A 32 GLN HBx 1.0 1.8 7.27 1504 850 A 32 GLN HE2x A 93 GLU HBx 1.0 1.8 7.50 1505 850 A 32 GLN HE2x A 93 GLU HBy 1.0 1.8 7.50 1506 851 A 32 GLN HE2x A 93 GLU HBx 1.0 1.8 7.50 1507 851 A 32 GLN HE2x A 93 GLU HBy 1.0 1.8 7.50 1508 852 A 58 ARG H A 58 ARG HGx 1.0 1.8 7.39 1509 852 A 58 ARG H A 58 ARG HGy 1.0 1.8 7.39 1510 853 A 56 LYS H A 55 LEU HG 1.0 1.8 7.50 1511 854 A 96 LYS HA A 96 LYS HDy 1.0 1.8 7.30 1512 854 A 96 LYS HA A 96 LYS HDx 1.0 1.8 7.30 1513 855 A 85 GLN HE2y A 85 GLN HBy 1.0 1.8 7.50 1514 855 A 85 GLN HE2y A 85 GLN HBx 1.0 1.8 7.50 1515 856 A 85 GLN HE2y A 85 GLN HBy 1.0 1.8 7.50 1516 856 A 85 GLN HE2y A 85 GLN HBx 1.0 1.8 7.50 1517 857 A 47 ASP H A 50 GLU HBy 1.0 1.8 7.50 1518 857 A 47 ASP H A 50 GLU HBx 1.0 1.8 7.50 1519 858 A 47 ASP H A 50 GLU HBy 1.0 1.8 7.50 1520 858 A 47 ASP H A 50 GLU HBx 1.0 1.8 7.50 1521 859 A 88 MET H A 88 MET HGy 1.0 1.8 7.50 1522 859 A 88 MET H A 88 MET HGx 1.0 1.8 7.50 1523 860 A 72 TYR HD% A 88 MET HGy 1.0 1.8 7.50 1524 860 A 88 MET HGx A 72 TYR HD% 1.0 1.8 7.50 1525 861 A 72 TYR HD% A 88 MET HGy 1.0 1.8 7.50 1526 861 A 88 MET HGx A 72 TYR HD% 1.0 1.8 7.50 1527 862 A 72 TYR HE% A 88 MET HGy 1.0 1.8 7.50 1528 862 A 72 TYR HE% A 88 MET HGx 1.0 1.8 7.50 1529 863 A 72 TYR HE% A 88 MET HGy 1.0 1.8 7.50 1530 863 A 72 TYR HE% A 88 MET HGx 1.0 1.8 7.50 1531 864 A 88 MET H A 88 MET HGy 1.0 1.8 7.40 1532 864 A 88 MET H A 88 MET HGx 1.0 1.8 7.40 1533 865 A 60 HIS HE1 A 27 LYS HDx 1.0 1.8 7.50 1534 865 A 60 HIS HE1 A 27 LYS HDy 1.0 1.8 7.50 1535 866 A 60 HIS HE1 A 27 LYS HDx 1.0 1.8 7.50 1536 866 A 60 HIS HE1 A 27 LYS HDy 1.0 1.8 7.50 1537 867 A 84 GLU H A 83 GLU HBy 1.0 1.8 6.80 1538 867 A 84 GLU H A 83 GLU HBx 1.0 1.8 6.80 1539 868 A 32 GLN H A 31 ILE HG1y 1.0 1.8 7.50 1540 868 A 32 GLN H A 31 ILE HG1x 1.0 1.8 7.50 1541 869 A 34 ALA H A 33 GLU HBy 1.0 1.8 6.30 1542 869 A 34 ALA H A 33 GLU HBx 1.0 1.8 6.30 1543 870 A 20 HIS HE1 A 24 LYS HDx 1.0 1.8 6.91 1544 870 A 20 HIS HE1 A 24 LYS HDy 1.0 1.8 6.91 1545 871 A 53 GLN H A 52 ARG HBy 1.0 1.8 7.19 1546 871 A 53 GLN H A 52 ARG HBx 1.0 1.8 7.19 1547 872 A 53 GLN H A 52 ARG HBy 1.0 1.8 7.20 1548 872 A 53 GLN H A 52 ARG HBx 1.0 1.8 7.20 1549 873 A 33 GLU H A 32 GLN HBy 1.0 1.8 6.93 1550 873 A 32 GLN HBx A 33 GLU H 1.0 1.8 6.93 1551 874 A 83 GLU H A 83 GLU HBy 1.0 1.8 5.63 1552 874 A 83 GLU H A 83 GLU HBx 1.0 1.8 5.63 1553 875 A 31 ILE H A 31 ILE HG1y 1.0 1.8 6.49 1554 875 A 31 ILE H A 31 ILE HG1x 1.0 1.8 6.49 1555 876 A 31 ILE H A 31 ILE HG1y 1.0 1.8 6.98 1556 876 A 31 ILE H A 31 ILE HG1x 1.0 1.8 6.98 1557 877 A 60 HIS HE1 A 31 ILE HG1y 1.0 1.8 7.50 1558 877 A 60 HIS HE1 A 31 ILE HG1x 1.0 1.8 7.50 1559 878 A 72 TYR HE% A 71 LYS HDy 1.0 1.8 7.50 1560 878 A 72 TYR HE% A 71 LYS HDx 1.0 1.8 7.50 1561 879 A 95 GLN HE2x A 71 LYS HDy 1.0 1.8 7.50 1562 879 A 95 GLN HE2x A 71 LYS HDx 1.0 1.8 7.50 1563 880 A 72 TYR HE% A 71 LYS HDy 1.0 1.8 7.18 1564 880 A 72 TYR HE% A 71 LYS HDx 1.0 1.8 7.18 1565 881 A 21 MET H A 20 HIS HBy 1.0 1.8 7.50 1566 881 A 20 HIS HBx A 21 MET H 1.0 1.8 7.50 1567 882 A 82 ALA HA A 85 GLN HBy 1.0 1.8 7.50 1568 882 A 85 GLN HBx A 82 ALA HA 1.0 1.8 7.50 1569 883 A 84 GLU HA A 83 GLU HBy 1.0 1.8 6.87 1570 883 A 84 GLU HA A 83 GLU HBx 1.0 1.8 6.87 1571 884 A 103 LEU HA A 102 GLN HBx 1.0 1.8 7.50 1572 884 A 102 GLN HBy A 103 LEU HA 1.0 1.8 7.50 1573 885 A 24 LYS HA A 24 LYS HDx 1.0 1.8 7.50 1574 885 A 24 LYS HDy A 24 LYS HA 1.0 1.8 7.50 1575 886 A 24 LYS HA A 24 LYS HDx 1.0 1.8 7.50 1576 886 A 24 LYS HDy A 24 LYS HA 1.0 1.8 7.50 1577 887 A 71 LYS HA A 71 LYS HDy 1.0 1.8 7.50 1578 887 A 71 LYS HDx A 71 LYS HA 1.0 1.8 7.50 1579 888 A 71 LYS HA A 71 LYS HDy 1.0 1.8 7.46 1580 888 A 71 LYS HDx A 71 LYS HA 1.0 1.8 7.46 1581 889 A 72 TYR HBy A 88 MET HGy 1.0 1.8 7.50 1582 889 A 72 TYR HBx A 88 MET HGy 1.0 1.8 7.50 1583 889 A 88 MET HGx A 72 TYR HBy 1.0 1.8 7.50 1584 889 A 72 TYR HBx A 88 MET HGx 1.0 1.8 7.50 1585 890 A 27 LYS HGx A 31 ILE HG1y 1.0 1.8 7.50 1586 890 A 27 LYS HGy A 31 ILE HG1y 1.0 1.8 7.50 1587 890 A 31 ILE HG1x A 27 LYS HGy 1.0 1.8 7.50 1588 890 A 31 ILE HG1x A 27 LYS HGx 1.0 1.8 7.50 1589 891 A 28 ILE HG1x A 92 LEU HBy 1.0 1.8 7.37 1590 891 A 28 ILE HG1y A 92 LEU HBy 1.0 1.8 7.37 1591 891 A 92 LEU HBx A 28 ILE HG1y 1.0 1.8 7.37 1592 891 A 92 LEU HBx A 28 ILE HG1x 1.0 1.8 7.37 1593 892 A 25 ARG HBx A 103 LEU HDx% 1.0 1.8 6.47 1594 892 A 25 ARG HBy A 103 LEU HDx% 1.0 1.8 6.47 1595 892 A 103 LEU HDy% A 25 ARG HBy 1.0 1.8 6.47 1596 892 A 103 LEU HDy% A 25 ARG HBx 1.0 1.8 6.47 1597 893 A 102 GLN HBx A 103 LEU HDx% 1.0 1.8 6.03 1598 893 A 102 GLN HBy A 103 LEU HDx% 1.0 1.8 6.03 1599 893 A 103 LEU HDy% A 102 GLN HBx 1.0 1.8 6.03 1600 893 A 103 LEU HDy% A 102 GLN HBy 1.0 1.8 6.03 1601 894 A 65 ILE HD1% A 52 ARG HBy 1.0 1.8 7.50 1602 894 A 65 ILE HD1% A 52 ARG HBx 1.0 1.8 7.50 1603 895 A 33 GLU HBy A 33 GLU HGy 1.0 1.8 4.90 1604 895 A 33 GLU HBx A 33 GLU HGy 1.0 1.8 4.90 1605 895 A 33 GLU HGx A 33 GLU HBy 1.0 1.8 4.90 1606 895 A 33 GLU HBx A 33 GLU HGx 1.0 1.8 4.90 1607 896 A 80 LEU HDy% A 84 GLU HBy 1.0 1.8 7.34 1608 896 A 80 LEU HDx% A 84 GLU HBy 1.0 1.8 7.34 1609 896 A 84 GLU HBx A 80 LEU HDx% 1.0 1.8 7.34 1610 896 A 80 LEU HDy% A 84 GLU HBx 1.0 1.8 7.34 1611 897 A 80 LEU HDy% A 84 GLU HBy 1.0 1.8 7.04 1612 897 A 80 LEU HDx% A 84 GLU HBy 1.0 1.8 7.04 1613 897 A 84 GLU HBx A 80 LEU HDx% 1.0 1.8 7.04 1614 897 A 80 LEU HDy% A 84 GLU HBx 1.0 1.8 7.04 1615 898 A 38 ALA HB% A 50 GLU HBy 1.0 1.8 7.28 1616 898 A 38 ALA HB% A 50 GLU HBx 1.0 1.8 7.28 1617 899 A 67 ALA HB% A 66 GLU HBy 1.0 1.8 7.50 1618 899 A 67 ALA HB% A 66 GLU HBx 1.0 1.8 7.50 1619 900 A 38 ALA H A 37 HIS HBy 1.0 1.8 7.15 1620 900 A 37 HIS HBx A 38 ALA H 1.0 1.8 7.15 1621 901 A 52 ARG H A 51 TRP HBy 1.0 1.8 7.35 1622 901 A 52 ARG H A 51 TRP HBx 1.0 1.8 7.35 1623 902 A 52 ARG H A 51 TRP HBy 1.0 1.8 7.20 1624 902 A 52 ARG H A 51 TRP HBx 1.0 1.8 7.20 1625 903 A 69 PHE HE% A 51 TRP HBy 1.0 1.8 7.50 1626 903 A 69 PHE HE% A 51 TRP HBx 1.0 1.8 7.50 1627 904 A 55 LEU HBx A 56 LYS HBx 1.0 1.8 7.50 1628 904 A 55 LEU HBy A 56 LYS HBx 1.0 1.8 7.50 1629 904 A 56 LYS HBy A 55 LEU HBy 1.0 1.8 7.50 1630 904 A 55 LEU HBx A 56 LYS HBy 1.0 1.8 7.50 1631 905 A 65 ILE HD1% A 56 LYS HBx 1.0 1.8 7.13 1632 905 A 56 LYS HBy A 65 ILE HD1% 1.0 1.8 7.13 1633 906 A 65 ILE HD1% A 56 LYS HBx 1.0 1.8 7.50 1634 906 A 56 LYS HBy A 65 ILE HD1% 1.0 1.8 7.50 1635 907 A 46 LEU HDy% A 51 TRP HBy 1.0 1.8 7.50 1636 907 A 46 LEU HDx% A 51 TRP HBy 1.0 1.8 7.50 1637 907 A 51 TRP HBx A 46 LEU HDx% 1.0 1.8 7.50 1638 907 A 46 LEU HDy% A 51 TRP HBx 1.0 1.8 7.50 1639 908 A 53 GLN HA A 56 LYS HBx 1.0 1.8 6.66 1640 908 A 56 LYS HBy A 53 GLN HA 1.0 1.8 6.66 1641 909 A 56 LYS HBy A 56 LYS HEy 1.0 1.8 6.93 1642 909 A 56 LYS HBx A 56 LYS HEy 1.0 1.8 6.93 1643 909 A 56 LYS HEx A 56 LYS HBx 1.0 1.8 6.93 1644 909 A 56 LYS HBy A 56 LYS HEx 1.0 1.8 6.93 1645 910 A 46 LEU H A 45 HIS HBy 1.0 1.8 7.50 1646 910 A 46 LEU H A 45 HIS HBx 1.0 1.8 7.50 1647 911 A 53 GLN H A 56 LYS HBx 1.0 1.8 7.50 1648 911 A 53 GLN H A 56 LYS HBy 1.0 1.8 7.50 1649 912 A 55 LEU H A 56 LYS HBx 1.0 1.8 7.35 1650 912 A 55 LEU H A 56 LYS HBy 1.0 1.8 7.35 1651 913 A 55 LEU HA A 58 ARG HBy 1.0 1.8 7.50 1652 913 A 58 ARG HBx A 55 LEU HA 1.0 1.8 7.50 1653 914 A 34 ALA HA A 37 HIS HBy 1.0 1.8 7.50 1654 914 A 34 ALA HA A 37 HIS HBx 1.0 1.8 7.50 1655 915 A 55 LEU HA A 58 ARG HBy 1.0 1.8 7.50 1656 915 A 58 ARG HBx A 55 LEU HA 1.0 1.8 7.50 1657 916 A 61 ALA HB% A 60 HIS HBy 1.0 1.8 7.50 1658 916 A 60 HIS HBx A 61 ALA HB% 1.0 1.8 7.50 1659 917 A 74 VAL HB A 84 GLU HGy 1.0 1.8 7.50 1660 917 A 84 GLU HGx A 74 VAL HB 1.0 1.8 7.50 1661 918 A 68 VAL HB A 67 ALA H 1.0 1.8 7.50 1662 919 A 88 MET H A 87 LYS HBy 1.0 1.8 6.91 1663 919 A 88 MET H A 87 LYS HBx 1.0 1.8 6.91 1664 920 A 87 LYS H A 87 LYS HBy 1.0 1.8 6.04 1665 920 A 87 LYS H A 87 LYS HBx 1.0 1.8 6.04 1666 921 A 86 MET H A 86 MET HGy 1.0 1.8 6.51 1667 921 A 86 MET H A 86 MET HGx 1.0 1.8 6.51 1668 922 A 86 MET H A 86 MET HGy 1.0 1.8 6.54 1669 922 A 86 MET H A 86 MET HGx 1.0 1.8 6.54 1670 923 A 72 TYR HD% A 87 LYS HBy 1.0 1.8 7.49 1671 923 A 72 TYR HD% A 87 LYS HBx 1.0 1.8 7.49 1672 924 A 72 TYR HD% A 87 LYS HBy 1.0 1.8 7.50 1673 924 A 72 TYR HD% A 87 LYS HBx 1.0 1.8 7.50 1674 925 A 21 MET HGy A 103 LEU HBy 1.0 1.8 7.50 1675 925 A 21 MET HGx A 103 LEU HBy 1.0 1.8 7.50 1676 925 A 103 LEU HBx A 21 MET HGy 1.0 1.8 7.50 1677 925 A 21 MET HGx A 103 LEU HBx 1.0 1.8 7.50 1678 926 A 68 VAL HB A 71 LYS HBx 1.0 1.8 6.93 1679 926 A 71 LYS HBy A 68 VAL HB 1.0 1.8 6.93 1680 927 A 21 MET HGy A 103 LEU HDx% 1.0 1.8 6.35 1681 927 A 21 MET HGx A 103 LEU HDx% 1.0 1.8 6.35 1682 927 A 103 LEU HDy% A 21 MET HGy 1.0 1.8 6.35 1683 927 A 21 MET HGx A 103 LEU HDy% 1.0 1.8 6.35 1684 928 A 60 HIS HBx A 65 ILE HG1y 1.0 1.8 7.35 1685 928 A 60 HIS HBy A 65 ILE HG1y 1.0 1.8 7.35 1686 928 A 65 ILE HG1x A 60 HIS HBy 1.0 1.8 7.35 1687 928 A 60 HIS HBx A 65 ILE HG1x 1.0 1.8 7.35 1688 929 A 86 MET HGy A 87 LYS HDx 1.0 1.8 7.50 1689 929 A 86 MET HGx A 87 LYS HDx 1.0 1.8 7.50 1690 929 A 87 LYS HDy A 86 MET HGy 1.0 1.8 7.50 1691 929 A 87 LYS HDy A 86 MET HGx 1.0 1.8 7.50 1692 930 A 103 LEU HG A 21 MET HGy 1.0 1.8 7.50 1693 930 A 21 MET HGx A 103 LEU HG 1.0 1.8 7.50 1694 931 A 82 ALA HB% A 86 MET HGy 1.0 1.8 7.16 1695 931 A 82 ALA HB% A 86 MET HGx 1.0 1.8 7.16 1696 932 A 55 LEU HBx A 60 HIS HBy 1.0 1.8 7.02 1697 932 A 55 LEU HBy A 60 HIS HBy 1.0 1.8 7.02 1698 932 A 60 HIS HBx A 55 LEU HBy 1.0 1.8 7.02 1699 932 A 60 HIS HBx A 55 LEU HBx 1.0 1.8 7.02 1700 933 A 55 LEU HBx A 60 HIS HBy 1.0 1.8 6.41 1701 933 A 55 LEU HBy A 60 HIS HBy 1.0 1.8 6.41 1702 933 A 60 HIS HBx A 55 LEU HBy 1.0 1.8 6.41 1703 933 A 60 HIS HBx A 55 LEU HBx 1.0 1.8 6.41 1704 934 A 60 HIS HBx A 65 ILE HG1y 1.0 1.8 7.50 1705 934 A 60 HIS HBy A 65 ILE HG1y 1.0 1.8 7.50 1706 934 A 65 ILE HG1x A 60 HIS HBy 1.0 1.8 7.50 1707 934 A 60 HIS HBx A 65 ILE HG1x 1.0 1.8 7.50 1708 935 A 82 ALA HB% A 86 MET HBy 1.0 1.8 7.50 1709 935 A 82 ALA HB% A 86 MET HBx 1.0 1.8 7.50 1710 936 A 89 ALA HB% A 86 MET HBy 1.0 1.8 7.50 1711 936 A 89 ALA HB% A 86 MET HBx 1.0 1.8 7.50 1712 937 A 82 ALA HB% A 86 MET HBy 1.0 1.8 7.12 1713 937 A 82 ALA HB% A 86 MET HBx 1.0 1.8 7.12 1714 938 A 71 LYS HBx A 71 LYS HDy 1.0 1.8 6.16 1715 938 A 71 LYS HBy A 71 LYS HDy 1.0 1.8 6.16 1716 938 A 71 LYS HDx A 71 LYS HBx 1.0 1.8 6.16 1717 938 A 71 LYS HBy A 71 LYS HDx 1.0 1.8 6.16 1718 939 A 61 ALA H A 60 HIS HBy 1.0 1.8 7.20 1719 939 A 60 HIS HBx A 61 ALA H 1.0 1.8 7.20 1720 940 A 27 LYS H A 27 LYS HBy 1.0 1.8 6.09 1721 940 A 27 LYS HBx A 27 LYS H 1.0 1.8 6.09 1722 941 A 27 LYS H A 27 LYS HBy 1.0 1.8 6.11 1723 941 A 27 LYS HBx A 27 LYS H 1.0 1.8 6.11 1724 942 A 60 HIS HE1 A 27 LYS HBy 1.0 1.8 7.50 1725 942 A 27 LYS HBx A 60 HIS HE1 1.0 1.8 7.50 1726 943 A 15 VAL HB A 16 PRO HDy 1.0 1.8 6.97 1727 943 A 16 PRO HDx A 15 VAL HB 1.0 1.8 6.97 1728 944 A 15 VAL HB A 16 PRO HDy 1.0 1.8 6.69 1729 944 A 16 PRO HDx A 15 VAL HB 1.0 1.8 6.69 1730 945 A 24 LYS HBy A 24 LYS HEx 1.0 1.8 7.50 1731 945 A 24 LYS HBx A 24 LYS HEx 1.0 1.8 7.50 1732 945 A 24 LYS HEy A 24 LYS HBx 1.0 1.8 7.50 1733 945 A 24 LYS HBy A 24 LYS HEy 1.0 1.8 7.50 1734 946 A 24 LYS HBy A 24 LYS HEx 1.0 1.8 7.50 1735 946 A 24 LYS HBx A 24 LYS HEx 1.0 1.8 7.50 1736 946 A 24 LYS HEy A 24 LYS HBx 1.0 1.8 7.50 1737 946 A 24 LYS HBy A 24 LYS HEy 1.0 1.8 7.50 1738 947 A 87 LYS HBx A 87 LYS HEx 1.0 1.8 7.50 1739 947 A 87 LYS HBy A 87 LYS HEx 1.0 1.8 7.50 1740 947 A 87 LYS HEy A 87 LYS HBy 1.0 1.8 7.50 1741 947 A 87 LYS HBx A 87 LYS HEy 1.0 1.8 7.50 1742 948 A 87 LYS HBx A 87 LYS HEx 1.0 1.8 7.50 1743 948 A 87 LYS HBy A 87 LYS HEx 1.0 1.8 7.50 1744 948 A 87 LYS HEy A 87 LYS HBy 1.0 1.8 7.50 1745 948 A 87 LYS HBx A 87 LYS HEy 1.0 1.8 7.50 1746 949 A 87 LYS HBy A 87 LYS HEx 1.0 1.8 7.50 1747 949 A 87 LYS HEy A 87 LYS HBy 1.0 1.8 7.50 1748 949 A 87 LYS HBx A 87 LYS HEy 1.0 1.8 7.50 1749 949 A 87 LYS HBx A 87 LYS HEx 1.0 1.8 7.50 1750 950 A 27 LYS HBy A 28 ILE HG1y 1.0 1.8 7.50 1751 950 A 27 LYS HBx A 28 ILE HG1y 1.0 1.8 7.50 1752 950 A 28 ILE HG1x A 27 LYS HBy 1.0 1.8 7.50 1753 950 A 27 LYS HBx A 28 ILE HG1x 1.0 1.8 7.50 1754 951 A 15 VAL HGy% A 16 PRO HBy 1.0 1.8 7.50 1755 951 A 15 VAL HGx% A 16 PRO HBy 1.0 1.8 7.50 1756 951 A 16 PRO HBx A 15 VAL HGx% 1.0 1.8 7.50 1757 951 A 16 PRO HBx A 15 VAL HGy% 1.0 1.8 7.50 1758 952 A 88 MET HBy A 92 LEU HDx% 1.0 1.8 6.99 1759 952 A 88 MET HBx A 92 LEU HDx% 1.0 1.8 6.99 1760 952 A 92 LEU HDy% A 88 MET HBy 1.0 1.8 6.99 1761 952 A 88 MET HBx A 92 LEU HDy% 1.0 1.8 6.99 1762 953 A 72 TYR HD% A 88 MET HBy 1.0 1.8 7.50 1763 953 A 88 MET HBx A 72 TYR HD% 1.0 1.8 7.50 1764 954 A 72 TYR HBy A 88 MET HBy 1.0 1.8 7.50 1765 954 A 72 TYR HBx A 88 MET HBy 1.0 1.8 7.50 1766 954 A 88 MET HBx A 72 TYR HBy 1.0 1.8 7.50 1767 954 A 72 TYR HBx A 88 MET HBx 1.0 1.8 7.50 1768 955 A 35 LEU HDx% A 88 MET HBy 1.0 1.8 7.50 1769 955 A 88 MET HBx A 35 LEU HDx% 1.0 1.8 7.50 1770 955 A 88 MET HBx A 35 LEU HDy% 1.0 1.8 7.50 1771 955 A 35 LEU HDy% A 88 MET HBy 1.0 1.8 7.50 1772 956 A 88 MET HBy A 92 LEU HDx% 1.0 1.8 7.50 1773 956 A 88 MET HBx A 92 LEU HDx% 1.0 1.8 7.50 1774 956 A 92 LEU HDy% A 88 MET HBy 1.0 1.8 7.50 1775 956 A 88 MET HBx A 92 LEU HDy% 1.0 1.8 7.50 1776 957 A 89 ALA H A 88 MET HBy 1.0 1.8 6.99 1777 957 A 89 ALA H A 88 MET HBx 1.0 1.8 6.99 1778 958 A 53 GLN H A 53 GLN HGy 1.0 1.8 6.79 1779 958 A 53 GLN H A 53 GLN HGx 1.0 1.8 6.79 1780 959 A 54 GLU H A 53 GLN HGy 1.0 1.8 7.50 1781 959 A 53 GLN HGx A 54 GLU H 1.0 1.8 7.50 1782 960 A 54 GLU H A 53 GLN HGy 1.0 1.8 7.50 1783 960 A 53 GLN HGx A 54 GLU H 1.0 1.8 7.50 1784 961 A 85 GLN HA A 88 MET HBy 1.0 1.8 7.29 1785 961 A 88 MET HBx A 85 GLN HA 1.0 1.8 7.29 1786 962 A 53 GLN HGy A 56 LYS HBx 1.0 1.8 7.50 1787 962 A 53 GLN HGx A 56 LYS HBx 1.0 1.8 7.50 1788 962 A 56 LYS HBy A 53 GLN HGy 1.0 1.8 7.50 1789 962 A 53 GLN HGx A 56 LYS HBy 1.0 1.8 7.50 1790 963 A 52 ARG HGy A 53 GLN HGy 1.0 1.8 7.50 1791 963 A 52 ARG HGx A 53 GLN HGy 1.0 1.8 7.50 1792 963 A 53 GLN HGx A 52 ARG HGx 1.0 1.8 7.50 1793 963 A 53 GLN HGx A 52 ARG HGy 1.0 1.8 7.50 1794 964 A 52 ARG HGx A 53 GLN HGy 1.0 1.8 7.50 1795 964 A 52 ARG HGy A 53 GLN HGy 1.0 1.8 7.50 1796 964 A 53 GLN HGx A 52 ARG HGx 1.0 1.8 7.50 1797 964 A 53 GLN HGx A 52 ARG HGy 1.0 1.8 7.50 1798 965 A 95 GLN HGx A 99 LEU HDx% 1.0 1.8 7.12 1799 965 A 95 GLN HGy A 99 LEU HDx% 1.0 1.8 7.12 1800 965 A 99 LEU HDy% A 95 GLN HGy 1.0 1.8 7.12 1801 965 A 95 GLN HGx A 99 LEU HDy% 1.0 1.8 7.12 1802 966 A 95 GLN HGx A 99 LEU HDx% 1.0 1.8 6.89 1803 966 A 95 GLN HGy A 99 LEU HDx% 1.0 1.8 6.89 1804 966 A 99 LEU HDy% A 95 GLN HGy 1.0 1.8 6.89 1805 966 A 95 GLN HGx A 99 LEU HDy% 1.0 1.8 6.89 1806 967 A 101 ASN HBy A 102 GLN HGy 1.0 1.8 7.50 1807 967 A 101 ASN HBx A 102 GLN HGy 1.0 1.8 7.50 1808 967 A 102 GLN HGx A 101 ASN HBx 1.0 1.8 7.50 1809 967 A 101 ASN HBy A 102 GLN HGx 1.0 1.8 7.50 1810 968 A 96 LYS H A 95 GLN HGy 1.0 1.8 7.50 1811 968 A 95 GLN HGx A 96 LYS H 1.0 1.8 7.50 1812 969 A 95 GLN H A 95 GLN HGy 1.0 1.8 6.60 1813 969 A 95 GLN HGx A 95 GLN H 1.0 1.8 6.60 1814 970 A 93 GLU HA A 95 GLN HGy 1.0 1.8 7.50 1815 970 A 95 GLN HGx A 93 GLU HA 1.0 1.8 7.50 1816 971 A 92 LEU HA A 95 GLN HGy 1.0 1.8 7.50 1817 971 A 95 GLN HGx A 92 LEU HA 1.0 1.8 7.50 1818 972 A 44 GLN H A 44 GLN HGx 1.0 1.8 6.57 1819 972 A 44 GLN H A 44 GLN HGy 1.0 1.8 6.57 1820 973 A 82 ALA HB% A 44 GLN HGx 1.0 1.8 7.07 1821 973 A 44 GLN HGy A 82 ALA HB% 1.0 1.8 7.07 1822 974 A 92 LEU HBy A 95 GLN HGy 1.0 1.8 7.50 1823 974 A 92 LEU HBx A 95 GLN HGy 1.0 1.8 7.50 1824 974 A 95 GLN HGx A 92 LEU HBy 1.0 1.8 7.50 1825 974 A 95 GLN HGx A 92 LEU HBx 1.0 1.8 7.50 1826 975 A 99 LEU HG A 95 GLN HGy 1.0 1.8 7.44 1827 975 A 95 GLN HGx A 99 LEU HG 1.0 1.8 7.44 1828 976 A 32 GLN HGy A 92 LEU HBy 1.0 1.8 7.50 1829 976 A 92 LEU HBx A 32 GLN HGy 1.0 1.8 7.50 1830 976 A 92 LEU HBx A 32 GLN HGx 1.0 1.8 7.50 1831 976 A 32 GLN HGx A 92 LEU HBy 1.0 1.8 7.50 1832 977 A 28 ILE HG2% A 32 GLN HGy 1.0 1.8 6.46 1833 977 A 28 ILE HG2% A 32 GLN HGx 1.0 1.8 6.46 1834 978 A 32 GLN H A 32 GLN HGy 1.0 1.8 6.47 1835 978 A 32 GLN H A 32 GLN HGx 1.0 1.8 6.47 1836 979 A 32 GLN H A 32 GLN HGy 1.0 1.8 6.76 1837 979 A 32 GLN H A 32 GLN HGx 1.0 1.8 6.76 1838 980 A 32 GLN HE2y A 93 GLU HGx 1.0 1.8 7.50 1839 980 A 32 GLN HE2y A 93 GLU HGy 1.0 1.8 7.50 1840 981 A 32 GLN HE2y A 93 GLU HGx 1.0 1.8 7.50 1841 981 A 32 GLN HE2y A 93 GLU HGy 1.0 1.8 7.50 1842 982 A 34 ALA H A 54 GLU HGy 1.0 1.8 7.50 1843 982 A 54 GLU HGx A 34 ALA H 1.0 1.8 7.50 1844 983 A 34 ALA H A 54 GLU HGy 1.0 1.8 7.50 1845 983 A 54 GLU HGx A 34 ALA H 1.0 1.8 7.50 1846 984 A 55 LEU H A 54 GLU HGy 1.0 1.8 7.50 1847 984 A 54 GLU HGx A 55 LEU H 1.0 1.8 7.50 1848 985 A 54 GLU H A 54 GLU HGy 1.0 1.8 7.50 1849 985 A 54 GLU HGx A 54 GLU H 1.0 1.8 7.50 1850 986 A 35 LEU HG A 32 GLN HGy 1.0 1.8 6.95 1851 986 A 32 GLN HGx A 35 LEU HG 1.0 1.8 6.95 1852 987 A 92 LEU HG A 32 GLN HGy 1.0 1.8 6.97 1853 987 A 32 GLN HGx A 92 LEU HG 1.0 1.8 6.97 1854 988 A 105 GLU H A 105 GLU HGy 1.0 1.8 6.68 1855 988 A 105 GLU H A 105 GLU HGx 1.0 1.8 6.68 1856 989 A 105 GLU H A 105 GLU HGy 1.0 1.8 6.64 1857 989 A 105 GLU H A 105 GLU HGx 1.0 1.8 6.64 1858 990 A 86 MET H A 85 GLN HGy 1.0 1.8 7.50 1859 990 A 85 GLN HGx A 86 MET H 1.0 1.8 7.50 1860 991 A 104 ALA HA A 105 GLU HGy 1.0 1.8 7.50 1861 991 A 104 ALA HA A 105 GLU HGx 1.0 1.8 7.50 1862 992 A 104 ALA HA A 105 GLU HGy 1.0 1.8 7.50 1863 992 A 104 ALA HA A 105 GLU HGx 1.0 1.8 7.50 1864 993 A 80 LEU HBx A 85 GLN HGy 1.0 1.8 6.50 1865 993 A 85 GLN HGx A 80 LEU HBy 1.0 1.8 6.50 1866 993 A 85 GLN HGx A 80 LEU HBx 1.0 1.8 6.50 1867 993 A 80 LEU HBy A 85 GLN HGy 1.0 1.8 6.50 1868 994 A 80 LEU HBx A 85 GLN HGy 1.0 1.8 6.53 1869 994 A 85 GLN HGx A 80 LEU HBy 1.0 1.8 6.53 1870 994 A 85 GLN HGx A 80 LEU HBx 1.0 1.8 6.53 1871 994 A 80 LEU HBy A 85 GLN HGy 1.0 1.8 6.53 1872 995 A 80 LEU HDy% A 85 GLN HGy 1.0 1.8 7.45 1873 995 A 80 LEU HDx% A 85 GLN HGy 1.0 1.8 7.45 1874 995 A 85 GLN HGx A 80 LEU HDx% 1.0 1.8 7.45 1875 995 A 80 LEU HDy% A 85 GLN HGx 1.0 1.8 7.45 1876 996 A 84 GLU H A 83 GLU HGx 1.0 1.8 7.23 1877 996 A 84 GLU H A 83 GLU HGy 1.0 1.8 7.23 1878 997 A 34 ALA H A 33 GLU HGy 1.0 1.8 7.38 1879 997 A 34 ALA H A 33 GLU HGx 1.0 1.8 7.38 1880 998 A 33 GLU H A 33 GLU HGy 1.0 1.8 6.47 1881 998 A 33 GLU H A 33 GLU HGx 1.0 1.8 6.47 1882 999 A 107 GLU H A 107 GLU HGx 1.0 1.8 7.50 1883 999 A 107 GLU H A 107 GLU HGy 1.0 1.8 7.50 1884 1000 A 37 HIS HD2 A 33 GLU HGy 1.0 1.8 7.50 1885 1000 A 33 GLU HGx A 37 HIS HD2 1.0 1.8 7.50 1886 1001 A 37 HIS HD2 A 33 GLU HGy 1.0 1.8 7.50 1887 1001 A 33 GLU HGx A 37 HIS HD2 1.0 1.8 7.50 1888 1002 A 82 ALA HA A 83 GLU HGx 1.0 1.8 7.50 1889 1002 A 82 ALA HA A 83 GLU HGy 1.0 1.8 7.50 1890 1003 A 34 ALA H A 33 GLU HGy 1.0 1.8 7.42 1891 1003 A 34 ALA H A 33 GLU HGx 1.0 1.8 7.42 1892 1004 A 79 VAL HB A 45 HIS HBy 1.0 1.8 7.50 1893 1004 A 45 HIS HBx A 79 VAL HB 1.0 1.8 7.50 1894 1005 A 79 VAL HB A 47 ASP HBy 1.0 1.8 7.50 1895 1005 A 47 ASP HBx A 79 VAL HB 1.0 1.8 7.50 1896 1006 A 82 ALA HB% A 83 GLU HGx 1.0 1.8 6.88 1897 1006 A 82 ALA HB% A 83 GLU HGy 1.0 1.8 6.88 1898 1007 A 36 ALA HB% A 33 GLU HGy 1.0 1.8 7.50 1899 1007 A 36 ALA HB% A 33 GLU HGx 1.0 1.8 7.50 1900 1008 A 105 GLU HGx A 106 LEU HDx% 1.0 1.8 7.50 1901 1008 A 105 GLU HGy A 106 LEU HDx% 1.0 1.8 7.50 1902 1008 A 106 LEU HDy% A 105 GLU HGy 1.0 1.8 7.50 1903 1008 A 106 LEU HDy% A 105 GLU HGx 1.0 1.8 7.50 1904 1009 A 42 ALA H A 41 ASN HBy 1.0 1.8 6.47 1905 1009 A 41 ASN HBx A 42 ALA H 1.0 1.8 6.47 1906 1010 A 42 ALA H A 41 ASN HBy 1.0 1.8 6.61 1907 1010 A 41 ASN HBx A 42 ALA H 1.0 1.8 6.61 1908 1011 A 46 LEU HDx% A 50 GLU HGy 1.0 1.8 7.50 1909 1011 A 46 LEU HDy% A 50 GLU HGy 1.0 1.8 7.50 1910 1011 A 50 GLU HGx A 46 LEU HDx% 1.0 1.8 7.50 1911 1011 A 46 LEU HDy% A 50 GLU HGx 1.0 1.8 7.50 1912 1012 A 31 ILE HB A 27 LYS HGy 1.0 1.8 7.50 1913 1012 A 31 ILE HB A 27 LYS HGx 1.0 1.8 7.50 1914 1013 A 28 ILE HA A 31 ILE HB 1.0 1.8 6.99 1915 1014 A 84 GLU H A 84 GLU HGy 1.0 1.8 6.76 1916 1014 A 84 GLU HGx A 84 GLU H 1.0 1.8 6.76 1917 1015 A 84 GLU H A 84 GLU HGy 1.0 1.8 6.88 1918 1015 A 84 GLU HGx A 84 GLU H 1.0 1.8 6.88 1919 1016 A 32 GLN H A 31 ILE HB 1.0 1.8 6.90 1920 1017 A 50 GLU H A 50 GLU HGy 1.0 1.8 6.56 1921 1017 A 50 GLU H A 50 GLU HGx 1.0 1.8 6.56 1922 1018 A 50 GLU H A 50 GLU HGy 1.0 1.8 6.63 1923 1018 A 50 GLU H A 50 GLU HGx 1.0 1.8 6.63 1924 1019 A 40 ALA HB% A 50 GLU HGy 1.0 1.8 6.91 1925 1019 A 40 ALA HB% A 50 GLU HGx 1.0 1.8 6.91 1926 1020 A 40 ALA HB% A 50 GLU HGy 1.0 1.8 7.09 1927 1020 A 40 ALA HB% A 50 GLU HGx 1.0 1.8 7.09 1928 1021 A 80 LEU HDy% A 84 GLU HGy 1.0 1.8 7.50 1929 1021 A 80 LEU HDx% A 84 GLU HGy 1.0 1.8 7.50 1930 1021 A 84 GLU HGx A 80 LEU HDx% 1.0 1.8 7.50 1931 1021 A 80 LEU HDy% A 84 GLU HGx 1.0 1.8 7.50 1932 1022 A 40 ALA HB% A 39 ASP HBy 1.0 1.8 7.50 1933 1022 A 40 ALA HB% A 39 ASP HBx 1.0 1.8 7.50 1934 1023 A 39 ASP HBy A 46 LEU HDx% 1.0 1.8 6.65 1935 1023 A 39 ASP HBx A 46 LEU HDx% 1.0 1.8 6.65 1936 1023 A 46 LEU HDy% A 39 ASP HBy 1.0 1.8 6.65 1937 1023 A 39 ASP HBx A 46 LEU HDy% 1.0 1.8 6.65 1938 1024 A 47 ASP HBx A 48 PHE HBy 1.0 1.8 7.50 1939 1024 A 47 ASP HBy A 48 PHE HBy 1.0 1.8 7.50 1940 1024 A 48 PHE HBx A 47 ASP HBy 1.0 1.8 7.50 1941 1024 A 48 PHE HBx A 47 ASP HBx 1.0 1.8 7.50 1942 1025 A 48 PHE HBy A 51 TRP HBy 1.0 1.8 7.50 1943 1025 A 51 TRP HBx A 48 PHE HBy 1.0 1.8 7.50 1944 1025 A 48 PHE HBx A 51 TRP HBx 1.0 1.8 7.50 1945 1025 A 48 PHE HBx A 51 TRP HBy 1.0 1.8 7.50 1946 1026 A 65 ILE HB A 64 ASP HBx 1.0 1.8 7.41 1947 1026 A 65 ILE HB A 64 ASP HBy 1.0 1.8 7.41 1948 1027 A 49 ASP H A 48 PHE HBy 1.0 1.8 7.48 1949 1027 A 48 PHE HBx A 49 ASP H 1.0 1.8 7.48 1950 1028 A 49 ASP H A 48 PHE HBy 1.0 1.8 7.41 1951 1028 A 48 PHE HBx A 49 ASP H 1.0 1.8 7.41 1952 1029 A 65 ILE HB A 64 ASP H 1.0 1.8 7.50 1953 1030 A 47 ASP HBx A 48 PHE HBy 1.0 1.8 7.50 1954 1030 A 47 ASP HBy A 48 PHE HBy 1.0 1.8 7.50 1955 1030 A 48 PHE HBx A 47 ASP HBy 1.0 1.8 7.50 1956 1030 A 48 PHE HBx A 47 ASP HBx 1.0 1.8 7.50 1957 1031 A 48 PHE HBy A 51 TRP HBy 1.0 1.8 7.50 1958 1031 A 51 TRP HBx A 48 PHE HBy 1.0 1.8 7.50 1959 1031 A 48 PHE HBx A 51 TRP HBx 1.0 1.8 7.50 1960 1031 A 48 PHE HBx A 51 TRP HBy 1.0 1.8 7.50 1961 1032 A 72 TYR HBx A 80 LEU HDx% 1.0 1.8 6.85 1962 1032 A 72 TYR HBy A 80 LEU HDx% 1.0 1.8 6.85 1963 1032 A 80 LEU HDy% A 72 TYR HBy 1.0 1.8 6.85 1964 1032 A 72 TYR HBx A 80 LEU HDy% 1.0 1.8 6.85 1965 1033 A 72 TYR HBy A 88 MET HBy 1.0 1.8 7.44 1966 1033 A 72 TYR HBx A 88 MET HBy 1.0 1.8 7.44 1967 1033 A 88 MET HBx A 72 TYR HBy 1.0 1.8 7.44 1968 1033 A 72 TYR HBx A 88 MET HBx 1.0 1.8 7.44 1969 1034 A 65 ILE HG2% A 69 PHE HBy 1.0 1.8 7.29 1970 1034 A 65 ILE HG2% A 69 PHE HBx 1.0 1.8 7.29 1971 1035 A 72 TYR HBy A 84 GLU HGy 1.0 1.8 7.09 1972 1035 A 72 TYR HBx A 84 GLU HGy 1.0 1.8 7.09 1973 1035 A 84 GLU HGx A 72 TYR HBy 1.0 1.8 7.09 1974 1035 A 72 TYR HBx A 84 GLU HGx 1.0 1.8 7.09 1975 1036 A 72 TYR HBy A 88 MET HBy 1.0 1.8 7.50 1976 1036 A 72 TYR HBx A 88 MET HBy 1.0 1.8 7.50 1977 1036 A 88 MET HBx A 72 TYR HBy 1.0 1.8 7.50 1978 1036 A 72 TYR HBx A 88 MET HBx 1.0 1.8 7.50 1979 1037 A 72 TYR HBy A 87 LYS HDx 1.0 1.8 7.50 1980 1037 A 87 LYS HDy A 72 TYR HBy 1.0 1.8 7.50 1981 1037 A 72 TYR HBx A 87 LYS HDy 1.0 1.8 7.50 1982 1037 A 72 TYR HBx A 87 LYS HDx 1.0 1.8 7.50 1983 1038 A 48 PHE HE% A 69 PHE HBy 1.0 1.8 7.48 1984 1038 A 48 PHE HE% A 69 PHE HBx 1.0 1.8 7.48 1985 1039 A 51 TRP HD1 A 69 PHE HBy 1.0 1.8 7.50 1986 1039 A 69 PHE HBx A 51 TRP HD1 1.0 1.8 7.50 1987 1040 A 70 ALA H A 69 PHE HBy 1.0 1.8 7.22 1988 1040 A 70 ALA H A 69 PHE HBx 1.0 1.8 7.22 1989 1041 A 70 ALA H A 69 PHE HBy 1.0 1.8 7.31 1990 1041 A 70 ALA H A 69 PHE HBx 1.0 1.8 7.31 1991 1042 A 49 ASP H A 49 ASP HBy 1.0 1.8 6.21 1992 1042 A 49 ASP H A 49 ASP HBx 1.0 1.8 6.21 1993 1043 A 49 ASP H A 49 ASP HBy 1.0 1.8 6.11 1994 1043 A 49 ASP H A 49 ASP HBx 1.0 1.8 6.11 1995 1044 A 72 TYR HE% A 91 ASP HBy 1.0 1.8 7.25 1996 1044 A 91 ASP HBx A 72 TYR HE% 1.0 1.8 7.25 1997 1045 A 78 ARG H A 77 ASP HBy 1.0 1.8 7.50 1998 1045 A 78 ARG H A 77 ASP HBx 1.0 1.8 7.50 1999 1046 A 45 HIS HD2 A 81 ASP HBy 1.0 1.8 7.50 2000 1046 A 45 HIS HD2 A 81 ASP HBx 1.0 1.8 7.50 2001 1047 A 45 HIS HD2 A 81 ASP HBy 1.0 1.8 7.49 2002 1047 A 45 HIS HD2 A 81 ASP HBx 1.0 1.8 7.49 2003 1048 A 90 HIS HBx A 91 ASP HBy 1.0 1.8 7.50 2004 1048 A 90 HIS HBy A 91 ASP HBy 1.0 1.8 7.50 2005 1048 A 91 ASP HBx A 90 HIS HBx 1.0 1.8 7.50 2006 1048 A 91 ASP HBx A 90 HIS HBy 1.0 1.8 7.50 2007 1049 A 92 LEU HG A 91 ASP HBy 1.0 1.8 7.50 2008 1049 A 91 ASP HBx A 92 LEU HG 1.0 1.8 7.50 2009 1050 A 88 MET HGx A 91 ASP HBy 1.0 1.8 7.50 2010 1050 A 88 MET HGy A 91 ASP HBy 1.0 1.8 7.50 2011 1050 A 91 ASP HBx A 88 MET HGy 1.0 1.8 7.50 2012 1050 A 91 ASP HBx A 88 MET HGx 1.0 1.8 7.50 2013 1051 A 91 ASP HBy A 92 LEU HDx% 1.0 1.8 7.12 2014 1051 A 91 ASP HBx A 92 LEU HDx% 1.0 1.8 7.12 2015 1051 A 92 LEU HDy% A 91 ASP HBy 1.0 1.8 7.12 2016 1051 A 91 ASP HBx A 92 LEU HDy% 1.0 1.8 7.12 2017 1052 A 65 ILE HD1% A 62 ASP HBy 1.0 1.8 7.50 2018 1052 A 62 ASP HBx A 65 ILE HD1% 1.0 1.8 7.50 2019 1053 A 79 VAL HGy% A 81 ASP HBy 1.0 1.8 7.50 2020 1053 A 79 VAL HGx% A 81 ASP HBy 1.0 1.8 7.50 2021 1053 A 81 ASP HBx A 79 VAL HGx% 1.0 1.8 7.50 2022 1053 A 79 VAL HGy% A 81 ASP HBx 1.0 1.8 7.50 2023 1054 A 81 ASP HBy A 83 GLU HBy 1.0 1.8 7.50 2024 1054 A 83 GLU HBx A 81 ASP HBy 1.0 1.8 7.50 2025 1054 A 81 ASP HBx A 83 GLU HBx 1.0 1.8 7.50 2026 1054 A 81 ASP HBx A 83 GLU HBy 1.0 1.8 7.50 2027 1055 A 99 LEU HG A 98 ASP HBx 1.0 1.8 6.74 2028 1055 A 98 ASP HBy A 99 LEU HG 1.0 1.8 6.74 2029 1056 A 98 ASP HBy A 99 LEU HDx% 1.0 1.8 7.50 2030 1056 A 98 ASP HBx A 99 LEU HDx% 1.0 1.8 7.50 2031 1056 A 99 LEU HDy% A 98 ASP HBx 1.0 1.8 7.50 2032 1056 A 98 ASP HBy A 99 LEU HDy% 1.0 1.8 7.50 2033 1057 A 98 ASP HBy A 99 LEU HDx% 1.0 1.8 7.50 2034 1057 A 98 ASP HBx A 99 LEU HDx% 1.0 1.8 7.50 2035 1057 A 99 LEU HDy% A 98 ASP HBx 1.0 1.8 7.50 2036 1057 A 98 ASP HBy A 99 LEU HDy% 1.0 1.8 7.50 2037 1058 A 41 ASN HBy A 43 ASP HBy 1.0 1.8 7.50 2038 1058 A 41 ASN HBx A 43 ASP HBy 1.0 1.8 7.50 2039 1058 A 43 ASP HBx A 41 ASN HBy 1.0 1.8 7.50 2040 1058 A 41 ASN HBx A 43 ASP HBx 1.0 1.8 7.50 2041 1059 A 44 GLN H A 43 ASP HBy 1.0 1.8 7.50 2042 1059 A 44 GLN H A 43 ASP HBx 1.0 1.8 7.50 2043 1060 A 41 ASN HD2y A 43 ASP HBy 1.0 1.8 7.50 2044 1060 A 43 ASP HBx A 41 ASN HD2y 1.0 1.8 7.50 2045 1061 A 65 ILE HD1% A 56 LYS HEy 1.0 1.8 7.25 2046 1061 A 65 ILE HD1% A 56 LYS HEx 1.0 1.8 7.25 2047 1062 A 64 ASP HBx A 65 ILE HG1y 1.0 1.8 7.37 2048 1062 A 64 ASP HBy A 65 ILE HG1y 1.0 1.8 7.37 2049 1062 A 65 ILE HG1x A 64 ASP HBx 1.0 1.8 7.37 2050 1062 A 65 ILE HG1x A 64 ASP HBy 1.0 1.8 7.37 2051 1063 A 49 ASP HBy A 50 GLU HBy 1.0 1.8 6.73 2052 1063 A 49 ASP HBx A 50 GLU HBy 1.0 1.8 6.73 2053 1063 A 50 GLU HBx A 49 ASP HBy 1.0 1.8 6.73 2054 1063 A 49 ASP HBx A 50 GLU HBx 1.0 1.8 6.73 2055 1064 A 93 GLU H A 92 LEU HBy 1.0 1.8 7.28 2056 1064 A 92 LEU HBx A 93 GLU H 1.0 1.8 7.28 2057 1065 A 65 ILE H A 64 ASP HBx 1.0 1.8 7.50 2058 1065 A 64 ASP HBy A 65 ILE H 1.0 1.8 7.50 2059 1066 A 89 ALA HA A 92 LEU HBy 1.0 1.8 7.50 2060 1066 A 92 LEU HBx A 89 ALA HA 1.0 1.8 7.50 2061 1067 A 92 LEU HBx A 93 GLU HBx 1.0 1.8 7.50 2062 1067 A 92 LEU HBy A 93 GLU HBx 1.0 1.8 7.50 2063 1067 A 93 GLU HBy A 92 LEU HBy 1.0 1.8 7.50 2064 1067 A 92 LEU HBx A 93 GLU HBy 1.0 1.8 7.50 2065 1068 A 55 LEU HBx A 60 HIS HBy 1.0 1.8 7.50 2066 1068 A 55 LEU HBy A 60 HIS HBy 1.0 1.8 7.50 2067 1068 A 60 HIS HBx A 55 LEU HBy 1.0 1.8 7.50 2068 1068 A 60 HIS HBx A 55 LEU HBx 1.0 1.8 7.50 2069 1069 A 55 LEU HBx A 60 HIS HBy 1.0 1.8 7.50 2070 1069 A 55 LEU HBy A 60 HIS HBy 1.0 1.8 7.50 2071 1069 A 60 HIS HBx A 55 LEU HBy 1.0 1.8 7.50 2072 1069 A 60 HIS HBx A 55 LEU HBx 1.0 1.8 7.50 2073 1070 A 55 LEU HBy A 65 ILE HG1y 1.0 1.8 7.50 2074 1070 A 65 ILE HG1x A 55 LEU HBy 1.0 1.8 7.50 2075 1070 A 55 LEU HBx A 65 ILE HG1x 1.0 1.8 7.50 2076 1070 A 55 LEU HBx A 65 ILE HG1y 1.0 1.8 7.50 2077 1071 A 55 LEU HBy A 65 ILE HG1y 1.0 1.8 7.50 2078 1071 A 65 ILE HG1x A 55 LEU HBy 1.0 1.8 7.50 2079 1071 A 55 LEU HBx A 65 ILE HG1x 1.0 1.8 7.50 2080 1071 A 55 LEU HBx A 65 ILE HG1y 1.0 1.8 7.50 2081 1072 A 31 ILE HG1x A 55 LEU HBy 1.0 1.8 7.50 2082 1072 A 31 ILE HG1y A 55 LEU HBy 1.0 1.8 7.50 2083 1072 A 55 LEU HBx A 31 ILE HG1y 1.0 1.8 7.50 2084 1072 A 55 LEU HBx A 31 ILE HG1x 1.0 1.8 7.50 2085 1073 A 28 ILE HG2% A 92 LEU HBy 1.0 1.8 6.25 2086 1073 A 92 LEU HBx A 28 ILE HG2% 1.0 1.8 6.25 2087 1074 A 96 LYS HBx A 96 LYS HEy 1.0 1.8 6.11 2088 1074 A 96 LYS HBy A 96 LYS HEy 1.0 1.8 6.11 2089 1074 A 96 LYS HEx A 96 LYS HBy 1.0 1.8 6.11 2090 1074 A 96 LYS HBx A 96 LYS HEx 1.0 1.8 6.11 2091 1075 A 96 LYS HBx A 96 LYS HEy 1.0 1.8 6.04 2092 1075 A 96 LYS HBy A 96 LYS HEy 1.0 1.8 6.04 2093 1075 A 96 LYS HEx A 96 LYS HBy 1.0 1.8 6.04 2094 1075 A 96 LYS HBx A 96 LYS HEx 1.0 1.8 6.04 2095 1076 A 96 LYS HBx A 96 LYS HEy 1.0 1.8 6.16 2096 1076 A 96 LYS HBy A 96 LYS HEy 1.0 1.8 6.16 2097 1076 A 96 LYS HEx A 96 LYS HBy 1.0 1.8 6.16 2098 1076 A 96 LYS HBx A 96 LYS HEx 1.0 1.8 6.16 2099 1077 A 96 LYS HEy A 96 LYS HGy 1.0 1.8 5.75 2100 1077 A 96 LYS HEx A 96 LYS HGy 1.0 1.8 5.75 2101 1077 A 96 LYS HGx A 96 LYS HEy 1.0 1.8 5.75 2102 1077 A 96 LYS HEx A 96 LYS HGx 1.0 1.8 5.75 2103 1078 A 31 ILE HG2% A 27 LYS HEx 1.0 1.8 7.50 2104 1078 A 31 ILE HG2% A 27 LYS HEy 1.0 1.8 7.50 2105 1079 A 31 ILE HG2% A 27 LYS HEx 1.0 1.8 7.50 2106 1079 A 31 ILE HG2% A 27 LYS HEy 1.0 1.8 7.50 2107 1080 A 88 MET HGx A 92 LEU HBy 1.0 1.8 7.50 2108 1080 A 88 MET HGy A 92 LEU HBy 1.0 1.8 7.50 2109 1080 A 92 LEU HBx A 88 MET HGy 1.0 1.8 7.50 2110 1080 A 92 LEU HBx A 88 MET HGx 1.0 1.8 7.50 2111 1081 A 96 LYS HA A 99 LEU HBy 1.0 1.8 7.01 2112 1081 A 96 LYS HA A 99 LEU HBx 1.0 1.8 7.01 2113 1082 A 49 ASP H A 47 ASP HBy 1.0 1.8 7.42 2114 1082 A 49 ASP H A 47 ASP HBx 1.0 1.8 7.42 2115 1083 A 100 ASN H A 99 LEU HBy 1.0 1.8 7.28 2116 1083 A 100 ASN H A 99 LEU HBx 1.0 1.8 7.28 2117 1084 A 48 PHE H A 47 ASP HBy 1.0 1.8 6.75 2118 1084 A 47 ASP HBx A 48 PHE H 1.0 1.8 6.75 2119 1085 A 101 ASN H A 99 LEU HBy 1.0 1.8 7.50 2120 1085 A 101 ASN H A 99 LEU HBx 1.0 1.8 7.50 2121 1086 A 78 ARG H A 78 ARG HDx 1.0 1.8 7.50 2122 1086 A 78 ARG H A 78 ARG HDy 1.0 1.8 7.50 2123 1087 A 100 ASN HD2y A 96 LYS HEy 1.0 1.8 7.50 2124 1087 A 100 ASN HD2y A 96 LYS HEx 1.0 1.8 7.50 2125 1088 A 100 ASN HD2x A 96 LYS HEy 1.0 1.8 7.50 2126 1088 A 100 ASN HD2x A 96 LYS HEx 1.0 1.8 7.50 2127 1089 A 36 ALA H A 35 LEU HBy 1.0 1.8 7.03 2128 1089 A 36 ALA H A 35 LEU HBx 1.0 1.8 7.03 2129 1090 A 36 ALA H A 35 LEU HBy 1.0 1.8 7.14 2130 1090 A 36 ALA H A 35 LEU HBx 1.0 1.8 7.14 2131 1091 A 72 TYR HE% A 71 LYS HEy 1.0 1.8 7.50 2132 1091 A 71 LYS HEx A 72 TYR HE% 1.0 1.8 7.50 2133 1092 A 95 GLN HE2x A 71 LYS HEy 1.0 1.8 7.50 2134 1092 A 95 GLN HE2x A 71 LYS HEx 1.0 1.8 7.50 2135 1093 A 72 TYR HE% A 71 LYS HEy 1.0 1.8 7.50 2136 1093 A 71 LYS HEx A 72 TYR HE% 1.0 1.8 7.50 2137 1094 A 95 GLN HE2x A 71 LYS HEy 1.0 1.8 7.50 2138 1094 A 95 GLN HE2x A 71 LYS HEx 1.0 1.8 7.50 2139 1095 A 27 LYS HA A 30 ASP HBy 1.0 1.8 7.50 2140 1095 A 27 LYS HA A 30 ASP HBx 1.0 1.8 7.50 2141 1096 A 96 LYS HA A 96 LYS HEy 1.0 1.8 7.34 2142 1096 A 96 LYS HA A 96 LYS HEx 1.0 1.8 7.34 2143 1097 A 96 LYS HA A 96 LYS HEy 1.0 1.8 7.31 2144 1097 A 96 LYS HA A 96 LYS HEx 1.0 1.8 7.31 2145 1098 A 96 LYS HA A 99 LEU HBy 1.0 1.8 7.50 2146 1098 A 96 LYS HA A 99 LEU HBx 1.0 1.8 7.50 2147 1099 A 78 ARG HA A 78 ARG HDx 1.0 1.8 7.01 2148 1099 A 78 ARG HDy A 78 ARG HA 1.0 1.8 7.01 2149 1100 A 78 ARG HA A 78 ARG HDx 1.0 1.8 7.50 2150 1100 A 78 ARG HDy A 78 ARG HA 1.0 1.8 7.50 2151 1101 A 103 LEU HBy A 103 LEU HDx% 1.0 1.8 5.39 2152 1101 A 103 LEU HBx A 103 LEU HDx% 1.0 1.8 5.39 2153 1101 A 103 LEU HDy% A 103 LEU HBy 1.0 1.8 5.39 2154 1101 A 103 LEU HDy% A 103 LEU HBx 1.0 1.8 5.39 2155 1102 A 71 LYS HBx A 71 LYS HEy 1.0 1.8 6.70 2156 1102 A 71 LYS HBy A 71 LYS HEy 1.0 1.8 6.70 2157 1102 A 71 LYS HEx A 71 LYS HBx 1.0 1.8 6.70 2158 1102 A 71 LYS HEx A 71 LYS HBy 1.0 1.8 6.70 2159 1103 A 71 LYS HBy A 71 LYS HEy 1.0 1.8 6.81 2160 1103 A 71 LYS HBx A 71 LYS HEy 1.0 1.8 6.81 2161 1103 A 71 LYS HEx A 71 LYS HBx 1.0 1.8 6.81 2162 1103 A 71 LYS HEx A 71 LYS HBy 1.0 1.8 6.81 2163 1104 A 71 LYS HEx A 71 LYS HGy 1.0 1.8 6.20 2164 1104 A 71 LYS HGx A 71 LYS HEy 1.0 1.8 6.20 2165 1104 A 71 LYS HEx A 71 LYS HGx 1.0 1.8 6.20 2166 1104 A 71 LYS HEy A 71 LYS HGy 1.0 1.8 6.20 2167 1105 A 25 ARG HDx A 103 LEU HDx% 1.0 1.8 7.34 2168 1105 A 103 LEU HDy% A 25 ARG HDx 1.0 1.8 7.34 2169 1105 A 25 ARG HDy A 103 LEU HDy% 1.0 1.8 7.34 2170 1105 A 25 ARG HDy A 103 LEU HDx% 1.0 1.8 7.34 2171 1106 A 25 ARG HDx A 103 LEU HDx% 1.0 1.8 7.50 2172 1106 A 103 LEU HDy% A 25 ARG HDx 1.0 1.8 7.50 2173 1106 A 25 ARG HDy A 103 LEU HDy% 1.0 1.8 7.50 2174 1106 A 25 ARG HDy A 103 LEU HDx% 1.0 1.8 7.50 2175 1107 A 71 LYS HEy A 71 LYS HGy 1.0 1.8 6.24 2176 1107 A 71 LYS HEx A 71 LYS HGy 1.0 1.8 6.24 2177 1107 A 71 LYS HGx A 71 LYS HEy 1.0 1.8 6.24 2178 1107 A 71 LYS HEx A 71 LYS HGx 1.0 1.8 6.24 2179 1108 A 80 LEU HBx A 85 GLN HBy 1.0 1.8 7.50 2180 1108 A 80 LEU HBy A 85 GLN HBy 1.0 1.8 7.50 2181 1108 A 85 GLN HBx A 80 LEU HBy 1.0 1.8 7.50 2182 1108 A 85 GLN HBx A 80 LEU HBx 1.0 1.8 7.50 2183 1109 A 102 GLN HBx A 103 LEU HBy 1.0 1.8 7.50 2184 1109 A 102 GLN HBy A 103 LEU HBy 1.0 1.8 7.50 2185 1109 A 103 LEU HBx A 102 GLN HBx 1.0 1.8 7.50 2186 1109 A 102 GLN HBy A 103 LEU HBx 1.0 1.8 7.50 2187 1110 A 80 LEU HBy A 84 GLU HBy 1.0 1.8 7.50 2188 1110 A 80 LEU HBx A 84 GLU HBy 1.0 1.8 7.50 2189 1110 A 84 GLU HBx A 80 LEU HBy 1.0 1.8 7.50 2190 1110 A 80 LEU HBx A 84 GLU HBx 1.0 1.8 7.50 2191 1111 A 25 ARG H A 25 ARG HDx 1.0 1.8 7.50 2192 1111 A 25 ARG HDy A 25 ARG H 1.0 1.8 7.50 2193 1112 A 25 ARG H A 25 ARG HDx 1.0 1.8 7.50 2194 1112 A 25 ARG HDy A 25 ARG H 1.0 1.8 7.50 2195 1113 A 85 GLN HE2y A 46 LEU HBy 1.0 1.8 7.50 2196 1113 A 85 GLN HE2y A 46 LEU HBx 1.0 1.8 7.50 2197 1114 A 30 ASP H A 30 ASP HBy 1.0 1.8 6.11 2198 1114 A 30 ASP H A 30 ASP HBx 1.0 1.8 6.11 2199 1115 A 60 HIS HE1 A 30 ASP HBy 1.0 1.8 7.50 2200 1115 A 30 ASP HBx A 60 HIS HE1 1.0 1.8 7.50 2201 1116 A 60 HIS HE1 A 30 ASP HBy 1.0 1.8 7.50 2202 1116 A 30 ASP HBx A 60 HIS HE1 1.0 1.8 7.50 2203 1117 A 46 LEU HBy A 80 LEU HDx% 1.0 1.8 6.96 2204 1117 A 80 LEU HDy% A 46 LEU HBy 1.0 1.8 6.96 2205 1117 A 80 LEU HDy% A 46 LEU HBx 1.0 1.8 6.96 2206 1117 A 46 LEU HBx A 80 LEU HDx% 1.0 1.8 6.96 2207 1118 A 25 ARG HA A 25 ARG HDx 1.0 1.8 7.37 2208 1118 A 25 ARG HDy A 25 ARG HA 1.0 1.8 7.37 2209 1119 A 86 MET HGy A 87 LYS HEx 1.0 1.8 7.38 2210 1119 A 86 MET HGx A 87 LYS HEx 1.0 1.8 7.38 2211 1119 A 87 LYS HEy A 86 MET HGy 1.0 1.8 7.38 2212 1119 A 86 MET HGx A 87 LYS HEy 1.0 1.8 7.38 2213 1120 A 85 GLN HE2y A 46 LEU HBy 1.0 1.8 7.50 2214 1120 A 85 GLN HE2y A 46 LEU HBx 1.0 1.8 7.50 2215 1121 A 34 ALA HB% A 58 ARG HDy 1.0 1.8 7.34 2216 1121 A 58 ARG HDx A 34 ALA HB% 1.0 1.8 7.34 2217 1122 A 65 ILE HD1% A 52 ARG HDy 1.0 1.8 7.47 2218 1122 A 52 ARG HDx A 65 ILE HD1% 1.0 1.8 7.47 2219 1123 A 48 PHE HE% A 52 ARG HDy 1.0 1.8 6.74 2220 1123 A 52 ARG HDx A 48 PHE HE% 1.0 1.8 6.74 2221 1124 A 48 PHE HE% A 52 ARG HDy 1.0 1.8 6.84 2222 1124 A 52 ARG HDx A 48 PHE HE% 1.0 1.8 6.84 2223 1125 A 17 ARG HBy A 18 GLY HAx 1.0 1.8 7.50 2224 1125 A 17 ARG HBx A 18 GLY HAx 1.0 1.8 7.50 2225 1125 A 18 GLY HAy A 17 ARG HBx 1.0 1.8 7.50 2226 1125 A 17 ARG HBy A 18 GLY HAy 1.0 1.8 7.50 2227 1126 A 17 ARG HBy A 18 GLY HAx 1.0 1.8 7.50 2228 1126 A 17 ARG HBx A 18 GLY HAx 1.0 1.8 7.50 2229 1126 A 18 GLY HAy A 17 ARG HBx 1.0 1.8 7.50 2230 1126 A 17 ARG HBy A 18 GLY HAy 1.0 1.8 7.50 2231 1127 A 14 LEU HG A 13 GLY HAx 1.0 1.8 7.18 2232 1127 A 13 GLY HAy A 14 LEU HG 1.0 1.8 7.18 2233 1128 A 75 ASP H A 76 GLY HAy 1.0 1.8 7.50 2234 1128 A 75 ASP H A 76 GLY HAx 1.0 1.8 7.50 2235 1129 A 75 ASP H A 76 GLY HAy 1.0 1.8 7.50 2236 1129 A 75 ASP H A 76 GLY HAx 1.0 1.8 7.50 2237 1130 A 78 ARG H A 76 GLY HAy 1.0 1.8 7.50 2238 1130 A 78 ARG H A 76 GLY HAx 1.0 1.8 7.50 2239 1131 A 15 VAL HGy% A 16 PRO HDy 1.0 1.8 7.07 2240 1131 A 16 PRO HDx A 15 VAL HGx% 1.0 1.8 7.07 2241 1131 A 16 PRO HDx A 15 VAL HGy% 1.0 1.8 7.07 2242 1131 A 15 VAL HGx% A 16 PRO HDy 1.0 1.8 7.07 2243 1132 A 80 LEU HA A 84 GLU HBy 1.0 1.8 7.50 2244 1132 A 80 LEU HA A 84 GLU HBx 1.0 1.8 7.50 2245 1133 A 80 LEU HA A 84 GLU HBy 1.0 1.8 7.50 2246 1133 A 80 LEU HA A 84 GLU HBx 1.0 1.8 7.50 2247 1134 A 80 LEU HA A 80 LEU HDx% 1.0 1.8 6.57 2248 1134 A 80 LEU HDy% A 80 LEU HA 1.0 1.8 6.57 2249 1135 A 44 GLN H A 42 ALA HA 1.0 1.8 7.39 2250 1136 A 38 ALA HA A 54 GLU HGy 1.0 1.8 7.50 2251 1136 A 54 GLU HGx A 38 ALA HA 1.0 1.8 7.50 2252 1137 A 38 ALA HA A 54 GLU HBx 1.0 1.8 7.50 2253 1137 A 54 GLU HBy A 38 ALA HA 1.0 1.8 7.50 2254 1138 A 38 ALA HA A 54 GLU HGy 1.0 1.8 7.48 2255 1138 A 54 GLU HGx A 38 ALA HA 1.0 1.8 7.48 2256 1139 A 22 ALA HA A 25 ARG HGy 1.0 1.8 7.46 2257 1139 A 25 ARG HGx A 22 ALA HA 1.0 1.8 7.46 2258 1140 A 22 ALA HA A 103 LEU HDx% 1.0 1.8 7.50 2259 1140 A 103 LEU HDy% A 22 ALA HA 1.0 1.8 7.50 2260 1141 A 22 ALA HA A 25 ARG HBy 1.0 1.8 7.50 2261 1141 A 22 ALA HA A 25 ARG HBx 1.0 1.8 7.50 2262 1142 A 35 LEU HG A 36 ALA HA 1.0 1.8 7.50 2263 1143 A 25 ARG H A 22 ALA HA 1.0 1.8 6.96 2264 1144 A 70 ALA HA A 73 ASP HBy 1.0 1.8 7.27 2265 1144 A 73 ASP HBx A 70 ALA HA 1.0 1.8 7.27 2266 1145 A 93 GLU H A 89 ALA HA 1.0 1.8 7.49 2267 1146 A 34 ALA HA A 38 ALA H 1.0 1.8 7.19 2268 1147 A 34 ALA HA A 36 ALA H 1.0 1.8 7.50 2269 1148 A 92 LEU HG A 89 ALA HA 1.0 1.8 6.47 2270 1149 A 89 ALA HA A 88 MET HGy 1.0 1.8 7.06 2271 1149 A 89 ALA HA A 88 MET HGx 1.0 1.8 7.06 2272 1150 A 89 ALA HA A 35 LEU HDx% 1.0 1.8 6.40 2273 1150 A 35 LEU HDy% A 89 ALA HA 1.0 1.8 6.40 2274 1151 A 34 ALA HA A 37 HIS HBy 1.0 1.8 7.50 2275 1151 A 34 ALA HA A 37 HIS HBx 1.0 1.8 7.50 2276 1152 A 34 ALA HA A 54 GLU HGy 1.0 1.8 6.97 2277 1152 A 34 ALA HA A 54 GLU HGx 1.0 1.8 6.97 2278 1153 A 34 ALA HA A 33 GLU HBy 1.0 1.8 7.47 2279 1153 A 34 ALA HA A 33 GLU HBx 1.0 1.8 7.47 2280 1154 A 63 ALA HA A 66 GLU HBy 1.0 1.8 7.50 2281 1154 A 66 GLU HBx A 63 ALA HA 1.0 1.8 7.50 2282 1155 A 34 ALA HA A 54 GLU HGy 1.0 1.8 6.75 2283 1155 A 34 ALA HA A 54 GLU HGx 1.0 1.8 6.75 2284 1156 A 34 ALA HA A 38 ALA HB% 1.0 1.8 6.92 2285 1157 A 106 LEU HA A 106 LEU HDx% 1.0 1.8 6.87 2286 1157 A 106 LEU HDy% A 106 LEU HA 1.0 1.8 6.87 2287 1158 A 82 ALA HA A 86 MET HBy 1.0 1.8 6.51 2288 1158 A 86 MET HBx A 82 ALA HA 1.0 1.8 6.51 2289 1159 A 103 LEU HA A 103 LEU HDx% 1.0 1.8 6.43 2290 1159 A 103 LEU HDy% A 103 LEU HA 1.0 1.8 6.43 2291 1160 A 78 ARG HA A 48 PHE HBy 1.0 1.8 7.50 2292 1160 A 48 PHE HBx A 78 ARG HA 1.0 1.8 7.50 2293 1161 A 82 ALA HA A 81 ASP HBy 1.0 1.8 7.50 2294 1161 A 81 ASP HBx A 82 ALA HA 1.0 1.8 7.50 2295 1162 A 82 ALA HA A 85 GLN HBy 1.0 1.8 6.63 2296 1162 A 85 GLN HBx A 82 ALA HA 1.0 1.8 6.63 2297 1163 A 82 ALA HA A 85 GLN HGy 1.0 1.8 7.03 2298 1163 A 85 GLN HGx A 82 ALA HA 1.0 1.8 7.03 2299 1164 A 85 GLN HE2y A 82 ALA HA 1.0 1.8 6.99 2300 1165 A 21 MET HA A 103 LEU HDx% 1.0 1.8 7.50 2301 1165 A 103 LEU HDy% A 21 MET HA 1.0 1.8 7.50 2302 1166 A 104 ALA H A 102 GLN HA 1.0 1.8 7.50 2303 1167 A 92 LEU HA A 95 GLN HGy 1.0 1.8 7.50 2304 1167 A 95 GLN HGx A 92 LEU HA 1.0 1.8 7.50 2305 1168 A 92 LEU HA A 95 GLN HBx 1.0 1.8 6.71 2306 1168 A 95 GLN HBy A 92 LEU HA 1.0 1.8 6.71 2307 1169 A 43 ASP H A 44 GLN HA 1.0 1.8 7.04 2308 1170 A 44 GLN HA A 44 GLN HGx 1.0 1.8 5.61 2309 1170 A 44 GLN HGy A 44 GLN HA 1.0 1.8 5.61 2310 1171 A 62 ASP HA A 65 ILE HG1y 1.0 1.8 7.50 2311 1171 A 65 ILE HG1x A 62 ASP HA 1.0 1.8 7.50 2312 1172 A 62 ASP HA A 65 ILE HD1% 1.0 1.8 7.50 2313 1173 A 55 LEU HA A 58 ARG HDy 1.0 1.8 7.50 2314 1173 A 58 ARG HDx A 55 LEU HA 1.0 1.8 7.50 2315 1174 A 55 LEU HA A 60 HIS HBy 1.0 1.8 7.04 2316 1174 A 60 HIS HBx A 55 LEU HA 1.0 1.8 7.04 2317 1175 A 92 LEU HG A 92 LEU HA 1.0 1.8 5.92 2318 1176 A 49 ASP HA A 52 ARG HGx 1.0 1.8 7.38 2319 1176 A 52 ARG HGy A 49 ASP HA 1.0 1.8 7.38 2320 1177 A 35 LEU HA A 46 LEU HDx% 1.0 1.8 6.56 2321 1177 A 46 LEU HDy% A 35 LEU HA 1.0 1.8 6.56 2322 1178 A 92 LEU HA A 92 LEU HDx% 1.0 1.8 5.67 2323 1178 A 92 LEU HDy% A 92 LEU HA 1.0 1.8 5.67 2324 1179 A 55 LEU HA A 55 LEU HDx% 1.0 1.8 7.23 2325 1179 A 55 LEU HDy% A 55 LEU HA 1.0 1.8 7.23 2326 1180 A 71 LYS HA A 71 LYS HEy 1.0 1.8 7.50 2327 1180 A 71 LYS HEx A 71 LYS HA 1.0 1.8 7.50 2328 1181 A 89 ALA HB% A 86 MET HA 1.0 1.8 6.15 2329 1182 A 71 LYS HA A 71 LYS HGy 1.0 1.8 6.03 2330 1182 A 71 LYS HGx A 71 LYS HA 1.0 1.8 6.03 2331 1183 A 32 GLN HE2x A 93 GLU HA 1.0 1.8 7.35 2332 1184 A 89 ALA H A 86 MET HA 1.0 1.8 7.50 2333 1185 A 36 ALA H A 33 GLU HA 1.0 1.8 7.07 2334 1186 A 32 GLN HE2y A 93 GLU HA 1.0 1.8 7.34 2335 1187 A 57 CYS H A 53 GLN HA 1.0 1.8 7.50 2336 1188 A 84 GLU HA A 87 LYS HBy 1.0 1.8 6.57 2337 1188 A 84 GLU HA A 87 LYS HBx 1.0 1.8 6.57 2338 1189 A 25 ARG HA A 99 LEU HDx% 1.0 1.8 6.04 2339 1189 A 99 LEU HDy% A 25 ARG HA 1.0 1.8 6.04 2340 1190 A 65 ILE HD1% A 56 LYS HA 1.0 1.8 7.26 2341 1191 A 85 GLN HA A 85 GLN HGy 1.0 1.8 6.01 2342 1191 A 85 GLN HGx A 85 GLN HA 1.0 1.8 6.01 2343 1192 A 89 ALA HB% A 85 GLN HA 1.0 1.8 6.93 2344 1193 A 85 GLN HA A 88 MET HBy 1.0 1.8 7.03 2345 1193 A 88 MET HBx A 85 GLN HA 1.0 1.8 7.03 2346 1194 A 85 GLN HA A 80 LEU HBy 1.0 1.8 6.28 2347 1194 A 80 LEU HBx A 85 GLN HA 1.0 1.8 6.28 2348 1195 A 52 ARG HA A 54 GLU HBx 1.0 1.8 7.50 2349 1195 A 52 ARG HA A 54 GLU HBy 1.0 1.8 7.50 2350 1196 A 52 ARG HA A 65 ILE HB 1.0 1.8 7.50 2351 1197 A 88 MET HA A 72 TYR HBy 1.0 1.8 7.36 2352 1197 A 72 TYR HBx A 88 MET HA 1.0 1.8 7.36 2353 1198 A 52 ARG HA A 65 ILE HG1y 1.0 1.8 7.50 2354 1198 A 52 ARG HA A 65 ILE HG1x 1.0 1.8 7.50 2355 1199 A 52 ARG HA A 56 LYS HGx 1.0 1.8 6.00 2356 1199 A 52 ARG HA A 56 LYS HGy 1.0 1.8 6.00 2357 1200 A 88 MET HA A 71 LYS HDy 1.0 1.8 6.73 2358 1200 A 88 MET HA A 71 LYS HDx 1.0 1.8 6.73 2359 1201 A 88 MET HA A 88 MET HGy 1.0 1.8 6.25 2360 1201 A 88 MET HA A 88 MET HGx 1.0 1.8 6.25 2361 1202 A 85 GLN HA A 46 LEU HDx% 1.0 1.8 7.32 2362 1202 A 46 LEU HDy% A 85 GLN HA 1.0 1.8 7.32 2363 1203 A 88 MET HA A 92 LEU HDx% 1.0 1.8 6.94 2364 1203 A 88 MET HA A 92 LEU HDy% 1.0 1.8 6.94 2365 1204 A 88 MET HA A 92 LEU HDx% 1.0 1.8 7.50 2366 1204 A 88 MET HA A 92 LEU HDy% 1.0 1.8 7.50 2367 1205 A 52 ARG HA A 65 ILE HD1% 1.0 1.8 6.36 2368 1206 A 88 MET HA A 91 ASP HBy 1.0 1.8 6.38 2369 1206 A 91 ASP HBx A 88 MET HA 1.0 1.8 6.38 2370 1207 A 88 MET HA A 91 ASP HBy 1.0 1.8 6.90 2371 1207 A 91 ASP HBx A 88 MET HA 1.0 1.8 6.90 2372 1208 A 52 ARG HA A 52 ARG HDy 1.0 1.8 6.96 2373 1208 A 52 ARG HA A 52 ARG HDx 1.0 1.8 6.96 2374 1209 A 38 ALA HB% A 51 TRP HA 1.0 1.8 6.91 2375 1210 A 87 LYS HA A 90 HIS HBx 1.0 1.8 6.52 2376 1210 A 90 HIS HBy A 87 LYS HA 1.0 1.8 6.52 2377 1211 A 27 LYS HA A 30 ASP HBy 1.0 1.8 7.50 2378 1211 A 27 LYS HA A 30 ASP HBx 1.0 1.8 7.50 2379 1212 A 85 GLN HE2y A 85 GLN HA 1.0 1.8 7.50 2380 1213 A 88 MET HA A 91 ASP H 1.0 1.8 7.36 2381 1214 A 88 MET HA A 87 LYS H 1.0 1.8 7.50 2382 1215 A 72 TYR HD% A 72 TYR HA 1.0 1.8 6.95 2383 1216 A 88 MET HA A 72 TYR HD% 1.0 1.8 7.14 2384 1217 A 88 MET HA A 72 TYR HE% 1.0 1.8 6.71 2385 1218 A 52 ARG HA A 51 TRP HD1 1.0 1.8 7.50 2386 1219 A 85 GLN HA A 80 LEU HDx% 1.0 1.8 7.32 2387 1219 A 80 LEU HDy% A 85 GLN HA 1.0 1.8 7.32 2388 1220 A 88 MET HA A 85 GLN HA 1.0 1.8 7.50 2389 1221 A 32 GLN HA A 35 LEU HG 1.0 1.8 6.57 2390 1222 A 36 ALA HB% A 32 GLN HA 1.0 1.8 7.50 2391 1223 A 97 SER HA A 100 ASN HBx 1.0 1.8 7.50 2392 1223 A 97 SER HA A 100 ASN HBy 1.0 1.8 7.50 2393 1224 A 48 PHE HE% A 48 PHE HA 1.0 1.8 7.50 2394 1225 A 69 PHE HD% A 48 PHE HA 1.0 1.8 7.50 2395 1226 A 69 PHE HA A 68 VAL H 1.0 1.8 7.50 2396 1227 A 73 ASP H A 69 PHE HA 1.0 1.8 7.50 2397 1228 A 69 PHE HA A 48 PHE HE% 1.0 1.8 7.47 2398 1229 A 69 PHE HA A 69 PHE HD% 1.0 1.8 6.37 2399 1230 A 69 PHE HA A 71 LYS HBx 1.0 1.8 7.50 2400 1230 A 69 PHE HA A 71 LYS HBy 1.0 1.8 7.50 2401 1231 A 52 ARG H A 48 PHE HA 1.0 1.8 7.50 2402 1232 A 69 PHE HE% A 48 PHE HA 1.0 1.8 6.77 2403 1233 A 51 TRP HD1 A 48 PHE HA 1.0 1.8 7.50 2404 1234 A 69 PHE HA A 51 TRP HE1 1.0 1.8 7.50 2405 1235 A 48 PHE HA A 51 TRP HBy 1.0 1.8 6.67 2406 1235 A 51 TRP HBx A 48 PHE HA 1.0 1.8 6.67 2407 1236 A 48 PHE HA A 46 LEU HDx% 1.0 1.8 7.50 2408 1236 A 46 LEU HDy% A 48 PHE HA 1.0 1.8 7.50 2409 1237 A 69 PHE HA A 68 VAL HB 1.0 1.8 7.50 2410 1238 A 22 ALA HB% A 23 SER HBy 1.0 1.8 7.50 2411 1238 A 22 ALA HB% A 23 SER HBx 1.0 1.8 7.50 2412 1239 A 15 VAL HGx% A 19 SER HBy 1.0 1.8 7.39 2413 1239 A 15 VAL HGy% A 19 SER HBy 1.0 1.8 7.39 2414 1239 A 19 SER HBx A 15 VAL HGx% 1.0 1.8 7.39 2415 1239 A 15 VAL HGy% A 19 SER HBx 1.0 1.8 7.39 2416 1240 A 31 ILE HA A 27 LYS HGy 1.0 1.8 7.50 2417 1240 A 31 ILE HA A 27 LYS HGx 1.0 1.8 7.50 2418 1241 A 28 ILE HA A 27 LYS HBy 1.0 1.8 6.41 2419 1241 A 28 ILE HA A 27 LYS HBx 1.0 1.8 6.41 2420 1242 A 28 ILE HA A 27 LYS HGy 1.0 1.8 7.50 2421 1242 A 28 ILE HA A 27 LYS HGx 1.0 1.8 7.50 2422 1243 A 28 ILE HA A 32 GLN H 1.0 1.8 7.50 2423 1244 A 31 ILE HA A 55 LEU HDx% 1.0 1.8 6.93 2424 1244 A 55 LEU HDy% A 31 ILE HA 1.0 1.8 6.93 2425 1245 A 31 ILE HA A 55 LEU HDx% 1.0 1.8 7.50 2426 1245 A 55 LEU HDy% A 31 ILE HA 1.0 1.8 7.50 2427 1246 A 76 GLY H A 74 VAL HA 1.0 1.8 7.18 2428 1247 A 68 VAL HB A 65 ILE HA 1.0 1.8 7.50 2429 1248 A 68 VAL HA A 71 LYS HBx 1.0 1.8 6.25 2430 1248 A 71 LYS HBy A 68 VAL HA 1.0 1.8 6.25 2431 1249 A 68 VAL HA A 71 LYS HDy 1.0 1.8 6.93 2432 1249 A 68 VAL HA A 71 LYS HDx 1.0 1.8 6.93 2433 1250 A 65 ILE HA A 68 VAL HGx% 1.0 1.8 6.93 2434 1250 A 68 VAL HGy% A 65 ILE HA 1.0 1.8 6.93 2435 1251 A 68 VAL HA A 71 LYS HGy 1.0 1.8 7.50 2436 1251 A 71 LYS HGx A 68 VAL HA 1.0 1.8 7.50 2437 1252 A 68 VAL HA A 92 LEU HDx% 1.0 1.8 7.50 2438 1252 A 68 VAL HA A 92 LEU HDy% 1.0 1.8 7.50 2439 1253 A 65 ILE HG2% A 65 ILE HA 1.0 1.8 6.01 2440 1254 A 65 ILE HA A 65 ILE HG1y 1.0 1.8 6.00 2441 1254 A 65 ILE HG1x A 65 ILE HA 1.0 1.8 6.00 2442 1255 A 65 ILE HA A 55 LEU HDx% 1.0 1.8 7.20 2443 1255 A 55 LEU HDy% A 65 ILE HA 1.0 1.8 7.20 2444 1256 A 65 ILE HA A 55 LEU HDx% 1.0 1.8 6.75 2445 1256 A 55 LEU HDy% A 65 ILE HA 1.0 1.8 6.75 2446 1257 A 51 TRP HE1 A 65 ILE HA 1.0 1.8 6.86 2447 1258 A 71 LYS H A 68 VAL HA 1.0 1.8 6.69 2448 1259 A 65 ILE HA A 51 TRP HD1 1.0 1.8 7.50 2449 1260 A 72 TYR HE% A 87 LYS HEx 1.0 1.8 5.76 2450 1260 A 72 TYR HE% A 87 LYS HEy 1.0 1.8 5.76 2451 1261 A 72 TYR HE% A 91 ASP HBy 1.0 1.8 6.00 2452 1261 A 91 ASP HBx A 72 TYR HE% 1.0 1.8 6.00 2453 1262 A 72 TYR HE% A 92 LEU HDx% 1.0 1.8 6.17 2454 1262 A 72 TYR HE% A 92 LEU HDy% 1.0 1.8 6.17 2455 1263 A 72 TYR HE% A 71 LYS HGy 1.0 1.8 6.84 2456 1263 A 71 LYS HGx A 72 TYR HE% 1.0 1.8 6.84 2457 1264 A 72 TYR HE% A 87 LYS HBy 1.0 1.8 6.01 2458 1264 A 72 TYR HE% A 87 LYS HBx 1.0 1.8 6.01 2459 1265 A 45 HIS HD2 A 81 ASP H 1.0 1.8 7.50 2460 1266 A 45 HIS HD2 A 79 VAL HGx% 1.0 1.8 5.37 2461 1266 A 45 HIS HD2 A 79 VAL HGy% 1.0 1.8 5.37 2462 1267 A 51 TRP HE3 A 55 LEU HDx% 1.0 1.8 7.46 2463 1267 A 55 LEU HDy% A 51 TRP HE3 1.0 1.8 7.46 2464 1268 A 69 PHE HD% A 70 ALA HA 1.0 1.8 7.46 2465 1269 A 69 PHE HD% A 78 ARG HA 1.0 1.8 7.25 2466 1270 A 69 PHE HD% A 73 ASP HBy 1.0 1.8 6.67 2467 1270 A 73 ASP HBx A 69 PHE HD% 1.0 1.8 6.67 2468 1271 A 70 ALA HB% A 69 PHE HD% 1.0 1.8 6.51 2469 1272 A 48 PHE HA A 48 PHE HD% 1.0 1.8 5.74 2470 1273 A 70 ALA H A 69 PHE HD% 1.0 1.8 6.35 2471 1274 A 49 ASP H A 48 PHE HD% 1.0 1.8 6.64 2472 1275 A 48 PHE H A 48 PHE HD% 1.0 1.8 6.34 2473 1276 A 78 ARG H A 69 PHE HD% 1.0 1.8 7.50 2474 1277 A 51 TRP HE1 A 69 PHE HD% 1.0 1.8 6.52 2475 1278 A 48 PHE HD% A 52 ARG HGx 1.0 1.8 7.06 2476 1278 A 52 ARG HGy A 48 PHE HD% 1.0 1.8 7.06 2477 1279 A 51 TRP HD1 A 51 TRP HBy 1.0 1.8 5.83 2478 1279 A 51 TRP HBx A 51 TRP HD1 1.0 1.8 5.83 2479 1280 A 60 HIS HD2 A 60 HIS HBy 1.0 1.8 5.66 2480 1280 A 60 HIS HBx A 60 HIS HD2 1.0 1.8 5.66 2481 1281 A 35 LEU H A 51 TRP HZ3 1.0 1.8 7.14 2482 1282 A 51 TRP H A 51 TRP HE3 1.0 1.8 6.90 2483 1283 A 37 HIS H A 37 HIS HD2 1.0 1.8 6.66 2484 1284 A 37 HIS HD2 A 37 HIS HBy 1.0 1.8 5.96 2485 1284 A 37 HIS HBx A 37 HIS HD2 1.0 1.8 5.96 2486 1285 A 90 HIS H A 90 HIS HD2 1.0 1.8 6.61 2487 1286 A 51 TRP HE3 A 51 TRP HA 1.0 1.8 6.61 2488 1287 A 91 ASP H A 72 TYR HE% 1.0 1.8 7.38 2489 1288 A 60 HIS HD2 A 55 LEU HBy 1.0 1.8 6.72 2490 1288 A 55 LEU HBx A 60 HIS HD2 1.0 1.8 6.72 2491 1289 A 60 HIS HD2 A 55 LEU HBy 1.0 1.8 6.24 2492 1289 A 55 LEU HBx A 60 HIS HD2 1.0 1.8 6.24 2493 1290 A 60 HIS HD2 A 55 LEU HDx% 1.0 1.8 6.13 2494 1290 A 55 LEU HDy% A 60 HIS HD2 1.0 1.8 6.13 2495 1291 A 60 HIS HD2 A 55 LEU HDx% 1.0 1.8 6.84 2496 1291 A 55 LEU HDy% A 60 HIS HD2 1.0 1.8 6.84 2497 1292 A 60 HIS HD2 A 55 LEU HA 1.0 1.8 6.02 2498 1293 A 51 TRP HE3 A 54 GLU HGy 1.0 1.8 7.50 2499 1293 A 54 GLU HGx A 51 TRP HE3 1.0 1.8 7.50 2500 1294 A 38 ALA HB% A 51 TRP HE3 1.0 1.8 6.39 2501 1295 A 51 TRP HE3 A 48 PHE HA 1.0 1.8 7.50 2502 1296 A 51 TRP HZ3 A 35 LEU HA 1.0 1.8 6.80 2503 1297 A 51 TRP HZ3 A 31 ILE HG1y 1.0 1.8 6.36 2504 1297 A 51 TRP HZ3 A 31 ILE HG1x 1.0 1.8 6.36 2505 1298 A 51 TRP HZ3 A 35 LEU HDx% 1.0 1.8 5.86 2506 1298 A 35 LEU HDy% A 51 TRP HZ3 1.0 1.8 5.86 2507 1299 A 51 TRP HZ3 A 55 LEU HDx% 1.0 1.8 7.48 2508 1299 A 55 LEU HDy% A 51 TRP HZ3 1.0 1.8 7.48 2509 1300 A 51 TRP HH2 A 31 ILE HG1y 1.0 1.8 6.55 2510 1300 A 51 TRP HH2 A 31 ILE HG1x 1.0 1.8 6.55 2511 1301 A 51 TRP HH2 A 68 VAL HGx% 1.0 1.8 5.56 2512 1301 A 68 VAL HGy% A 51 TRP HH2 1.0 1.8 5.56 2513 1302 A 31 ILE HG2% A 51 TRP HH2 1.0 1.8 5.59 2514 1303 A 31 ILE HD1% A 51 TRP HH2 1.0 1.8 6.01 2515 1304 A 51 TRP HH2 A 55 LEU HDx% 1.0 1.8 6.74 2516 1304 A 55 LEU HDy% A 51 TRP HH2 1.0 1.8 6.74 2517 1305 A 31 ILE HB A 51 TRP HH2 1.0 1.8 7.50 2518 1306 A 35 LEU H A 51 TRP HH2 1.0 1.8 7.42 2519 1307 A 52 ARG H A 51 TRP HD1 1.0 1.8 6.37 2520 1308 A 48 PHE HZ A 51 TRP HD1 1.0 1.8 6.34 2521 1309 A 69 PHE HD% A 51 TRP HD1 1.0 1.8 6.26 2522 1310 A 51 TRP HD1 A 48 PHE HD% 1.0 1.8 6.51 2523 1311 A 51 TRP HD1 A 55 LEU HDx% 1.0 1.8 6.94 2524 1311 A 55 LEU HDy% A 51 TRP HD1 1.0 1.8 6.94 2525 1312 A 51 TRP HD1 A 48 PHE HBy 1.0 1.8 7.50 2526 1312 A 48 PHE HBx A 51 TRP HD1 1.0 1.8 7.50 2527 1313 A 65 ILE HD1% A 51 TRP HD1 1.0 1.8 6.65 2528 1314 A 65 ILE HG2% A 51 TRP HD1 1.0 1.8 5.42 2529 1315 A 78 ARG H A 69 PHE HZ 1.0 1.8 7.50 2530 1316 A 48 PHE H A 69 PHE HZ 1.0 1.8 7.46 2531 1317 A 80 LEU H A 69 PHE HZ 1.0 1.8 7.09 2532 1318 A 79 VAL H A 69 PHE HZ 1.0 1.8 7.50 2533 1319 A 78 ARG HA A 69 PHE HZ 1.0 1.8 7.50 2534 1320 A 48 PHE HA A 69 PHE HZ 1.0 1.8 7.50 2535 1321 A 69 PHE HZ A 48 PHE HBy 1.0 1.8 7.50 2536 1321 A 48 PHE HBx A 69 PHE HZ 1.0 1.8 7.50 2537 1322 A 69 PHE HZ A 48 PHE HBy 1.0 1.8 7.40 2538 1322 A 48 PHE HBx A 69 PHE HZ 1.0 1.8 7.40 2539 1323 A 69 PHE HZ A 78 ARG HBy 1.0 1.8 7.50 2540 1323 A 69 PHE HZ A 78 ARG HBx 1.0 1.8 7.50 2541 1324 A 79 VAL HB A 69 PHE HZ 1.0 1.8 7.50 2542 1325 A 69 PHE HZ A 80 LEU HDx% 1.0 1.8 7.15 2543 1325 A 80 LEU HDy% A 69 PHE HZ 1.0 1.8 7.15 2544 1326 A 48 PHE HZ A 52 ARG HDy 1.0 1.8 7.50 2545 1326 A 52 ARG HDx A 48 PHE HZ 1.0 1.8 7.50 2546 1327 A 48 PHE HZ A 52 ARG HDy 1.0 1.8 7.50 2547 1327 A 52 ARG HDx A 48 PHE HZ 1.0 1.8 7.50 2548 1328 A 65 ILE HD1% A 48 PHE HZ 1.0 1.8 7.50 2549 1329 A 48 PHE HE% A 51 TRP HD1 1.0 1.8 6.90 2550 1330 A 69 PHE HE% A 51 TRP HD1 1.0 1.8 7.43 2551 1331 A 70 ALA H A 69 PHE HE% 1.0 1.8 7.50 2552 1332 A 80 LEU H A 69 PHE HE% 1.0 1.8 7.18 2553 1333 A 78 ARG H A 69 PHE HE% 1.0 1.8 6.45 2554 1334 A 51 TRP HE1 A 48 PHE HE% 1.0 1.8 7.50 2555 1335 A 69 PHE HE% A 78 ARG HA 1.0 1.8 6.05 2556 1336 A 69 PHE HE% A 78 ARG HDx 1.0 1.8 6.13 2557 1336 A 78 ARG HDy A 69 PHE HE% 1.0 1.8 6.13 2558 1337 A 69 PHE HE% A 48 PHE HBy 1.0 1.8 7.21 2559 1337 A 48 PHE HBx A 69 PHE HE% 1.0 1.8 7.21 2560 1338 A 69 PHE HE% A 78 ARG HBy 1.0 1.8 7.02 2561 1338 A 69 PHE HE% A 78 ARG HBx 1.0 1.8 7.02 2562 1339 A 69 PHE HE% A 78 ARG HBy 1.0 1.8 6.85 2563 1339 A 69 PHE HE% A 78 ARG HBx 1.0 1.8 6.85 2564 1340 A 69 PHE HE% A 80 LEU HDx% 1.0 1.8 6.06 2565 1340 A 80 LEU HDy% A 69 PHE HE% 1.0 1.8 6.06 2566 1341 A 69 PHE HE% A 51 TRP HBy 1.0 1.8 6.61 2567 1341 A 69 PHE HE% A 51 TRP HBx 1.0 1.8 6.61 2568 1342 A 51 TRP HE1 A 48 PHE HD% 1.0 1.8 7.50 2569 1343 A 48 PHE HD% A 80 LEU HDx% 1.0 1.8 7.50 2570 1343 A 80 LEU HDy% A 48 PHE HD% 1.0 1.8 7.50 2571 1344 A 69 PHE HD% A 78 ARG HBy 1.0 1.8 7.50 2572 1344 A 69 PHE HD% A 78 ARG HBx 1.0 1.8 7.50 2573 1345 A 72 TYR HD% A 74 VAL HGx% 1.0 1.8 7.03 2574 1345 A 74 VAL HGy% A 72 TYR HD% 1.0 1.8 7.03 2575 1346 A 51 TRP HZ2 A 69 PHE HBy 1.0 1.8 7.50 2576 1346 A 69 PHE HBx A 51 TRP HZ2 1.0 1.8 7.50 2577 1347 A 68 VAL HB A 51 TRP HZ2 1.0 1.8 5.65 2578 1348 A 51 TRP HZ2 A 31 ILE HG1y 1.0 1.8 7.27 2579 1348 A 31 ILE HG1x A 51 TRP HZ2 1.0 1.8 7.27 2580 1349 A 51 TRP HZ2 A 68 VAL HGx% 1.0 1.8 5.40 2581 1349 A 68 VAL HGy% A 51 TRP HZ2 1.0 1.8 5.40 2582 1350 A 31 ILE HG2% A 51 TRP HZ2 1.0 1.8 6.02 2583 1351 A 51 TRP HZ2 A 31 ILE HG1y 1.0 1.8 6.12 2584 1351 A 31 ILE HG1x A 51 TRP HZ2 1.0 1.8 6.12 2585 1352 A 51 TRP HZ2 A 55 LEU HDx% 1.0 1.8 6.74 2586 1352 A 55 LEU HDy% A 51 TRP HZ2 1.0 1.8 6.74 2587 1353 A 51 TRP HZ2 A 55 LEU HDx% 1.0 1.8 6.21 2588 1353 A 55 LEU HDy% A 51 TRP HZ2 1.0 1.8 6.21 2589 1354 A 68 VAL HA A 51 TRP HZ2 1.0 1.8 7.50 2590 1355 A 20 HIS HE1 A 24 LYS HGy 1.0 1.8 7.42 2591 1355 A 24 LYS HGx A 20 HIS HE1 1.0 1.8 7.42 2592 1356 A 45 HIS HD2 A 45 HIS HBy 1.0 1.8 5.60 2593 1356 A 45 HIS HD2 A 45 HIS HBx 1.0 1.8 5.60 2594 1357 A 27 LYS HA A 60 HIS HE1 1.0 1.8 6.80 2595 1358 A 60 HIS HE1 A 27 LYS HEx 1.0 1.8 6.04 2596 1358 A 27 LYS HEy A 60 HIS HE1 1.0 1.8 6.04 2597 1359 A 60 HIS HE1 A 27 LYS HGy 1.0 1.8 6.19 2598 1359 A 60 HIS HE1 A 27 LYS HGx 1.0 1.8 6.19 2599 1360 A 31 ILE HD1% A 60 HIS HE1 1.0 1.8 5.51 2600 1361 A 60 HIS HE1 A 55 LEU HDx% 1.0 1.8 6.54 2601 1361 A 55 LEU HDy% A 60 HIS HE1 1.0 1.8 6.54 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 20 HIS C A 21 MET N A 21 MET CA A 21 MET C 1.0 -81.1 -41.1 PHI 2 2 A 21 MET N A 21 MET CA A 21 MET C A 22 ALA N 1.0 -61.2 -21.2 PSI 3 3 A 21 MET C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -85.2 -45.2 PHI 4 4 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 SER N 1.0 -62.4 -15.4 PSI 5 5 A 22 ALA C A 23 SER N A 23 SER CA A 23 SER C 1.0 -83.7 -43.7 PHI 6 6 A 23 SER N A 23 SER CA A 23 SER C A 24 LYS N 1.0 -64.2 -13.8 PSI 7 7 A 23 SER C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -81.9 -41.9 PHI 8 8 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 ARG N 1.0 -59.7 -19.7 PSI 9 9 A 24 LYS C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -85.8 -45.8 PHI 10 10 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 ASP N 1.0 -60.9 -20.9 PSI 11 11 A 25 ARG C A 26 ASP N A 26 ASP CA A 26 ASP C 1.0 -88.6 -48.6 PHI 12 12 A 26 ASP N A 26 ASP CA A 26 ASP C A 27 LYS N 1.0 -56.3 -16.3 PSI 13 13 A 26 ASP C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -105.0 -35.4 PHI 14 14 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 ILE N 1.0 -58.7 -12.1 PSI 15 15 A 27 LYS C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -83.5 -43.5 PHI 16 16 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 ALA N 1.0 -64.3 -24.3 PSI 17 17 A 28 ILE C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -82.6 -40.2 PHI 18 18 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 ASP N 1.0 -61.3 -21.3 PSI 19 19 A 29 ALA C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -85.7 -45.7 PHI 20 20 A 30 ASP N A 30 ASP CA A 30 ASP C A 31 ILE N 1.0 -62.1 -22.1 PSI 21 21 A 30 ASP C A 31 ILE N A 31 ILE CA A 31 ILE C 1.0 -84.1 -44.1 PHI 22 22 A 31 ILE N A 31 ILE CA A 31 ILE C A 32 GLN N 1.0 -64.2 -24.2 PSI 23 23 A 31 ILE C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -81.8 -41.8 PHI 24 24 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 GLU N 1.0 -58.4 -18.4 PSI 25 25 A 32 GLN C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -84.4 -44.4 PHI 26 26 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 ALA N 1.0 -64.5 -24.5 PSI 27 27 A 33 GLU C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -85.8 -45.8 PHI 28 28 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 LEU N 1.0 -60.3 -20.3 PSI 29 29 A 34 ALA C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -86.2 -46.2 PHI 30 30 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 ALA N 1.0 -58.1 -18.1 PSI 31 31 A 35 LEU C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -87.4 -47.4 PHI 32 32 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 HIS N 1.0 -60.8 -2.0 PSI 33 33 A 36 ALA C A 37 HIS N A 37 HIS CA A 37 HIS C 1.0 -136.5 -35.3 PHI 34 34 A 37 HIS N A 37 HIS CA A 37 HIS C A 38 ALA N 1.0 -75.6 23.0 PSI 35 35 A 37 HIS C A 38 ALA N A 38 ALA CA A 38 ALA C 1.0 -120.9 -44.1 PHI 36 36 A 38 ALA N A 38 ALA CA A 38 ALA C A 39 ASP N 1.0 -54.1 2.1 PSI 37 37 A 39 ASP C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -78.7 -38.7 PHI 38 38 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 ASN N 1.0 -54.0 -14.0 PSI 39 39 A 40 ALA C A 41 ASN N A 41 ASN CA A 41 ASN C 1.0 -112.9 -72.9 PHI 40 40 A 41 ASN N A 41 ASN CA A 41 ASN C A 42 ALA N 1.0 -13.7 26.3 PSI 41 41 A 41 ASN C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 28.9 76.1 PHI 42 42 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 ASP N 1.0 22.2 62.2 PSI 43 43 A 43 ASP C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 39.1 82.7 PHI 44 44 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 HIS N 1.0 8.0 65.0 PSI 45 45 A 44 GLN C A 45 HIS N A 45 HIS CA A 45 HIS C 1.0 -160.4 -63.2 PHI 46 46 A 45 HIS N A 45 HIS CA A 45 HIS C A 46 LEU N 1.0 100.5 183.1 PSI 47 47 A 45 HIS C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -127.2 -85.2 PHI 48 48 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 ASP N 1.0 85.1 152.9 PSI 49 49 A 46 LEU C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -114.0 -55.4 PHI 50 50 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 PHE N 1.0 135.0 195.2 PSI 51 51 A 47 ASP C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -76.2 -36.2 PHI 52 52 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 ASP N 1.0 -64.4 -24.4 PSI 53 53 A 48 PHE C A 49 ASP N A 49 ASP CA A 49 ASP C 1.0 -81.4 -41.4 PHI 54 54 A 49 ASP N A 49 ASP CA A 49 ASP C A 50 GLU N 1.0 -57.0 -17.0 PSI 55 55 A 49 ASP C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -85.2 -45.2 PHI 56 56 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 TRP N 1.0 -61.6 -21.6 PSI 57 57 A 50 GLU C A 51 TRP N A 51 TRP CA A 51 TRP C 1.0 -84.8 -44.8 PHI 58 58 A 51 TRP N A 51 TRP CA A 51 TRP C A 52 ARG N 1.0 -59.4 -19.4 PSI 59 59 A 51 TRP C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -79.8 -39.8 PHI 60 60 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 GLN N 1.0 -60.2 -20.2 PSI 61 61 A 52 ARG C A 53 GLN N A 53 GLN CA A 53 GLN C 1.0 -79.6 -39.6 PHI 62 62 A 53 GLN N A 53 GLN CA A 53 GLN C A 54 GLU N 1.0 -60.4 -20.4 PSI 63 63 A 53 GLN C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -88.6 -48.6 PHI 64 64 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 LEU N 1.0 -58.5 -18.5 PSI 65 65 A 54 GLU C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -82.6 -42.6 PHI 66 66 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 LYS N 1.0 -57.2 -17.2 PSI 67 67 A 55 LEU C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -84.8 -44.8 PHI 68 68 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 CYS N 1.0 -64.4 -10.8 PSI 69 69 A 56 LYS C A 57 CYS N A 57 CYS CA A 57 CYS C 1.0 -85.2 -45.2 PHI 70 70 A 57 CYS N A 57 CYS CA A 57 CYS C A 58 ARG N 1.0 -43.9 0.7 PSI 71 71 A 57 CYS C A 58 ARG N A 58 ARG CA A 58 ARG C 1.0 -120.7 -71.7 PHI 72 72 A 58 ARG N A 58 ARG CA A 58 ARG C A 59 GLY N 1.0 -26.2 28.4 PSI 73 73 A 58 ARG C A 59 GLY N A 59 GLY CA A 59 GLY C 1.0 59.9 121.1 PHI 74 74 A 59 GLY N A 59 GLY CA A 59 GLY C A 60 HIS N 1.0 -18.9 27.5 PSI 75 75 A 60 HIS C A 61 ALA N A 61 ALA CA A 61 ALA C 1.0 -152.7 -27.1 PHI 76 76 A 61 ALA N A 61 ALA CA A 61 ALA C A 62 ASP N 1.0 101.5 185.1 PSI 77 77 A 61 ALA C A 62 ASP N A 62 ASP CA A 62 ASP C 1.0 -77.8 -37.8 PHI 78 78 A 62 ASP N A 62 ASP CA A 62 ASP C A 63 ALA N 1.0 -62.3 -22.3 PSI 79 79 A 62 ASP C A 63 ALA N A 63 ALA CA A 63 ALA C 1.0 -77.4 -37.4 PHI 80 80 A 63 ALA N A 63 ALA CA A 63 ALA C A 64 ASP N 1.0 -65.4 -25.4 PSI 81 81 A 63 ALA C A 64 ASP N A 64 ASP CA A 64 ASP C 1.0 -86.9 -46.9 PHI 82 82 A 64 ASP N A 64 ASP CA A 64 ASP C A 65 ILE N 1.0 -62.8 -22.8 PSI 83 83 A 64 ASP C A 65 ILE N A 65 ILE CA A 65 ILE C 1.0 -80.8 -40.8 PHI 84 84 A 65 ILE N A 65 ILE CA A 65 ILE C A 66 GLU N 1.0 -62.0 -22.0 PSI 85 85 A 65 ILE C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -82.1 -42.1 PHI 86 86 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 ALA N 1.0 -61.1 -21.1 PSI 87 87 A 66 GLU C A 67 ALA N A 67 ALA CA A 67 ALA C 1.0 -81.8 -41.8 PHI 88 88 A 67 ALA N A 67 ALA CA A 67 ALA C A 68 VAL N 1.0 -61.3 -21.3 PSI 89 89 A 67 ALA C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -83.3 -43.3 PHI 90 90 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 PHE N 1.0 -64.1 -24.1 PSI 91 91 A 68 VAL C A 69 PHE N A 69 PHE CA A 69 PHE C 1.0 -80.8 -40.6 PHI 92 92 A 69 PHE N A 69 PHE CA A 69 PHE C A 70 ALA N 1.0 -64.6 -24.6 PSI 93 93 A 69 PHE C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -81.1 -41.1 PHI 94 94 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 LYS N 1.0 -58.9 -18.9 PSI 95 95 A 70 ALA C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -83.6 -43.6 PHI 96 96 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 TYR N 1.0 -54.1 -14.1 PSI 97 97 A 71 LYS C A 72 TYR N A 72 TYR CA A 72 TYR C 1.0 -114.6 -66.8 PHI 98 98 A 72 TYR N A 72 TYR CA A 72 TYR C A 73 ASP N 1.0 -40.8 18.6 PSI 99 99 A 73 ASP C A 74 VAL N A 74 VAL CA A 74 VAL C 1.0 -84.2 -37.0 PHI 100 100 A 74 VAL N A 74 VAL CA A 74 VAL C A 75 ASP N 1.0 -59.8 2.0 PSI 101 101 A 74 VAL C A 75 ASP N A 75 ASP CA A 75 ASP C 1.0 -114.7 -70.3 PHI 102 102 A 75 ASP N A 75 ASP CA A 75 ASP C A 76 GLY N 1.0 -13.4 26.6 PSI 103 103 A 75 ASP C A 76 GLY N A 76 GLY CA A 76 GLY C 1.0 26.7 91.9 PHI 104 104 A 76 GLY N A 76 GLY CA A 76 GLY C A 77 ASP N 1.0 -6.7 67.3 PSI 105 105 A 76 GLY C A 77 ASP N A 77 ASP CA A 77 ASP C 1.0 -115.5 -69.7 PHI 106 106 A 77 ASP N A 77 ASP CA A 77 ASP C A 78 ARG N 1.0 -13.0 27.0 PSI 107 107 A 77 ASP C A 78 ARG N A 78 ARG CA A 78 ARG C 1.0 33.5 98.1 PHI 108 108 A 78 ARG N A 78 ARG CA A 78 ARG C A 79 VAL N 1.0 0.6 62.2 PSI 109 109 A 78 ARG C A 79 VAL N A 79 VAL CA A 79 VAL C 1.0 -146.4 -89.2 PHI 110 110 A 79 VAL N A 79 VAL CA A 79 VAL C A 80 LEU N 1.0 119.6 165.2 PSI 111 111 A 79 VAL C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -140.4 -75.0 PHI 112 112 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 ASP N 1.0 93.9 139.7 PSI 113 113 A 80 LEU C A 81 ASP N A 81 ASP CA A 81 ASP C 1.0 -103.8 -60.8 PHI 114 114 A 81 ASP N A 81 ASP CA A 81 ASP C A 82 ALA N 1.0 151.4 191.4 PSI 115 115 A 81 ASP C A 82 ALA N A 82 ALA CA A 82 ALA C 1.0 -79.4 -39.4 PHI 116 116 A 82 ALA N A 82 ALA CA A 82 ALA C A 83 GLU N 1.0 -67.4 -17.4 PSI 117 117 A 82 ALA C A 83 GLU N A 83 GLU CA A 83 GLU C 1.0 -86.4 -46.4 PHI 118 118 A 83 GLU N A 83 GLU CA A 83 GLU C A 84 GLU N 1.0 -59.1 -19.1 PSI 119 119 A 83 GLU C A 84 GLU N A 84 GLU CA A 84 GLU C 1.0 -84.1 -44.1 PHI 120 120 A 84 GLU N A 84 GLU CA A 84 GLU C A 85 GLN N 1.0 -63.2 -23.2 PSI 121 121 A 84 GLU C A 85 GLN N A 85 GLN CA A 85 GLN C 1.0 -84.0 -44.0 PHI 122 122 A 85 GLN N A 85 GLN CA A 85 GLN C A 86 MET N 1.0 -57.6 -17.6 PSI 123 123 A 85 GLN C A 86 MET N A 86 MET CA A 86 MET C 1.0 -85.6 -45.6 PHI 124 124 A 86 MET N A 86 MET CA A 86 MET C A 87 LYS N 1.0 -61.6 -21.6 PSI 125 125 A 86 MET C A 87 LYS N A 87 LYS CA A 87 LYS C 1.0 -85.0 -45.0 PHI 126 126 A 87 LYS N A 87 LYS CA A 87 LYS C A 88 MET N 1.0 -59.6 -19.6 PSI 127 127 A 87 LYS C A 88 MET N A 88 MET CA A 88 MET C 1.0 -83.9 -43.9 PHI 128 128 A 88 MET N A 88 MET CA A 88 MET C A 89 ALA N 1.0 -62.3 -22.3 PSI 129 129 A 88 MET C A 89 ALA N A 89 ALA CA A 89 ALA C 1.0 -77.9 -37.9 PHI 130 130 A 89 ALA N A 89 ALA CA A 89 ALA C A 90 HIS N 1.0 -66.8 -26.8 PSI 131 131 A 89 ALA C A 90 HIS N A 90 HIS CA A 90 HIS C 1.0 -83.4 -43.4 PHI 132 132 A 90 HIS N A 90 HIS CA A 90 HIS C A 91 ASP N 1.0 -61.7 -21.7 PSI 133 133 A 90 HIS C A 91 ASP N A 91 ASP CA A 91 ASP C 1.0 -85.7 -45.7 PHI 134 134 A 91 ASP N A 91 ASP CA A 91 ASP C A 92 LEU N 1.0 -62.3 -22.3 PSI 135 135 A 91 ASP C A 92 LEU N A 92 LEU CA A 92 LEU C 1.0 -83.6 -43.6 PHI 136 136 A 92 LEU N A 92 LEU CA A 92 LEU C A 93 GLU N 1.0 -62.2 -22.2 PSI 137 137 A 92 LEU C A 93 GLU N A 93 GLU CA A 93 GLU C 1.0 -84.7 -44.7 PHI 138 138 A 93 GLU N A 93 GLU CA A 93 GLU C A 94 GLY N 1.0 -60.7 -11.5 PSI 139 139 A 93 GLU C A 94 GLY N A 94 GLY CA A 94 GLY C 1.0 -85.4 -45.4 PHI 140 140 A 94 GLY N A 94 GLY CA A 94 GLY C A 95 GLN N 1.0 -57.8 -17.8 PSI 141 141 A 94 GLY C A 95 GLN N A 95 GLN CA A 95 GLN C 1.0 -103.3 -37.1 PHI 142 142 A 95 GLN N A 95 GLN CA A 95 GLN C A 96 LYS N 1.0 -64.5 -9.5 PSI 143 143 A 95 GLN C A 96 LYS N A 96 LYS CA A 96 LYS C 1.0 -81.9 -41.9 PHI 144 144 A 96 LYS N A 96 LYS CA A 96 LYS C A 97 SER N 1.0 -56.9 -16.9 PSI 145 145 A 96 LYS C A 97 SER N A 97 SER CA A 97 SER C 1.0 -84.5 -44.5 PHI 146 146 A 97 SER N A 97 SER CA A 97 SER C A 98 ASP N 1.0 -59.1 -19.1 PSI 147 147 A 97 SER C A 98 ASP N A 98 ASP CA A 98 ASP C 1.0 -83.9 -43.9 PHI 148 148 A 98 ASP N A 98 ASP CA A 98 ASP C A 99 LEU N 1.0 -58.4 -18.4 PSI 149 149 A 98 ASP C A 99 LEU N A 99 LEU CA A 99 LEU C 1.0 -81.8 -41.8 PHI 150 150 A 99 LEU N A 99 LEU CA A 99 LEU C A 100 ASN N 1.0 -62.0 -22.0 PSI 151 151 A 99 LEU C A 100 ASN N A 100 ASN CA A 100 ASN C 1.0 -82.9 -42.9 PHI 152 152 A 100 ASN N A 100 ASN CA A 100 ASN C A 101 ASN N 1.0 -64.5 -15.7 PSI 153 153 A 100 ASN C A 101 ASN N A 101 ASN CA A 101 ASN C 1.0 -82.6 -42.6 PHI 154 154 A 101 ASN N A 101 ASN CA A 101 ASN C A 102 GLN N 1.0 -64.5 -15.9 PSI 155 155 A 101 ASN C A 102 GLN N A 102 GLN CA A 102 GLN C 1.0 -83.9 -43.9 PHI 156 156 A 102 GLN N A 102 GLN CA A 102 GLN C A 103 LEU N 1.0 -56.6 -15.8 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 22 ALA N A 22 ALA H 1.0 . . . 2 2 A 23 SER N A 23 SER H 1.0 . . . 3 3 A 24 LYS N A 24 LYS H 1.0 . . . 4 4 A 29 ALA N A 29 ALA H 1.0 . . . 5 5 A 30 ASP N A 30 ASP H 1.0 . . . 6 6 A 31 ILE N A 31 ILE H 1.0 . . . 7 7 A 32 GLN N A 32 GLN H 1.0 . . . 8 8 A 33 GLU N A 33 GLU H 1.0 . . . 9 9 A 34 ALA N A 34 ALA H 1.0 . . . 10 10 A 35 LEU N A 35 LEU H 1.0 . . . 11 11 A 36 ALA N A 36 ALA H 1.0 . . . 12 12 A 37 HIS N A 37 HIS H 1.0 . . . 13 13 A 38 ALA N A 38 ALA H 1.0 . . . 14 14 A 39 ASP N A 39 ASP H 1.0 . . . 15 15 A 40 ALA N A 40 ALA H 1.0 . . . 16 16 A 41 ASN N A 41 ASN H 1.0 . . . 17 17 A 42 ALA N A 42 ALA H 1.0 . . . 18 18 A 43 ASP N A 43 ASP H 1.0 . . . 19 19 A 44 GLN N A 44 GLN H 1.0 . . . 20 20 A 45 HIS N A 45 HIS H 1.0 . . . 21 21 A 46 LEU N A 46 LEU H 1.0 . . . 22 22 A 47 ASP N A 47 ASP H 1.0 . . . 23 23 A 48 PHE N A 48 PHE H 1.0 . . . 24 24 A 49 ASP N A 49 ASP H 1.0 . . . 25 25 A 50 GLU N A 50 GLU H 1.0 . . . 26 26 A 51 TRP N A 51 TRP H 1.0 . . . 27 27 A 52 ARG N A 52 ARG H 1.0 . . . 28 28 A 53 GLN N A 53 GLN H 1.0 . . . 29 29 A 54 GLU N A 54 GLU H 1.0 . . . 30 30 A 55 LEU N A 55 LEU H 1.0 . . . 31 31 A 56 LYS N A 56 LYS H 1.0 . . . 32 32 A 57 CYS N A 57 CYS H 1.0 . . . 33 33 A 58 ARG N A 58 ARG H 1.0 . . . 34 34 A 59 GLY N A 59 GLY H 1.0 . . . 35 35 A 60 HIS N A 60 HIS H 1.0 . . . 36 36 A 61 ALA N A 61 ALA H 1.0 . . . 37 37 A 63 ALA N A 63 ALA H 1.0 . . . 38 38 A 64 ASP N A 64 ASP H 1.0 . . . 39 39 A 65 ILE N A 65 ILE H 1.0 . . . 40 40 A 66 GLU N A 66 GLU H 1.0 . . . 41 41 A 67 ALA N A 67 ALA H 1.0 . . . 42 42 A 68 VAL N A 68 VAL H 1.0 . . . 43 43 A 69 PHE N A 69 PHE H 1.0 . . . 44 44 A 70 ALA N A 70 ALA H 1.0 . . . 45 45 A 71 LYS N A 71 LYS H 1.0 . . . 46 46 A 72 TYR N A 72 TYR H 1.0 . . . 47 47 A 73 ASP N A 73 ASP H 1.0 . . . 48 48 A 74 VAL N A 74 VAL H 1.0 . . . 49 49 A 75 ASP N A 75 ASP H 1.0 . . . 50 50 A 76 GLY N A 76 GLY H 1.0 . . . 51 51 A 77 ASP N A 77 ASP H 1.0 . . . 52 52 A 78 ARG N A 78 ARG H 1.0 . . . 53 53 A 80 LEU N A 80 LEU H 1.0 . . . 54 54 A 81 ASP N A 81 ASP H 1.0 . . . 55 55 A 82 ALA N A 82 ALA H 1.0 . . . 56 56 A 83 GLU N A 83 GLU H 1.0 . . . 57 57 A 85 GLN N A 85 GLN H 1.0 . . . 58 58 A 86 MET N A 86 MET H 1.0 . . . 59 59 A 87 LYS N A 87 LYS H 1.0 . . . 60 60 A 88 MET N A 88 MET H 1.0 . . . 61 61 A 89 ALA N A 89 ALA H 1.0 . . . 62 62 A 91 ASP N A 91 ASP H 1.0 . . . 63 63 A 92 LEU N A 92 LEU H 1.0 . . . 64 64 A 93 GLU N A 93 GLU H 1.0 . . . 65 65 A 94 GLY N A 94 GLY H 1.0 . . . 66 66 A 95 GLN N A 95 GLN H 1.0 . . . 67 67 A 96 LYS N A 96 LYS H 1.0 . . . 68 68 A 97 SER N A 97 SER H 1.0 . . . 69 69 A 99 LEU N A 99 LEU H 1.0 . . . 70 70 A 100 ASN N A 100 ASN H 1.0 . . . 71 71 A 101 ASN N A 101 ASN H 1.0 . . . 72 72 A 102 GLN N A 102 GLN H 1.0 . . . 73 73 A 103 LEU N A 103 LEU H 1.0 . . . 74 74 A 104 ALA N A 104 ALA H 1.0 . . . 75 75 A 105 GLU N A 105 GLU H 1.0 . . . 76 76 A 106 LEU N A 106 LEU H 1.0 . . . 77 77 A 107 GLU N A 107 GLU H 1.0 . . . 78 78 A 104 ALA N A 104 ALA H 1.0 . . . 79 79 A 22 ALA N A 22 ALA H 1.0 . . . 80 80 A 29 ALA N A 29 ALA H 1.0 . . . 81 81 A 34 ALA N A 34 ALA H 1.0 . . . 82 82 A 36 ALA N A 36 ALA H 1.0 . . . 83 83 A 40 ALA N A 40 ALA H 1.0 . . . 84 84 A 42 ALA N A 42 ALA H 1.0 . . . 85 85 A 61 ALA N A 61 ALA H 1.0 . . . 86 86 A 63 ALA N A 63 ALA H 1.0 . . . 87 87 A 70 ALA N A 70 ALA H 1.0 . . . 88 88 A 57 CYS N A 57 CYS H 1.0 . . . 89 89 A 47 ASP N A 47 ASP H 1.0 . . . 90 90 A 49 ASP N A 49 ASP H 1.0 . . . 91 91 A 64 ASP N A 64 ASP H 1.0 . . . 92 92 A 73 ASP N A 73 ASP H 1.0 . . . 93 93 A 75 ASP N A 75 ASP H 1.0 . . . 94 94 A 81 ASP N A 81 ASP H 1.0 . . . 95 95 A 91 ASP N A 91 ASP H 1.0 . . . 96 96 A 107 GLU N A 107 GLU H 1.0 . . . 97 97 A 54 GLU N A 54 GLU H 1.0 . . . 98 98 A 83 GLU N A 83 GLU H 1.0 . . . 99 99 A 48 PHE N A 48 PHE H 1.0 . . . 100 100 A 69 PHE N A 69 PHE H 1.0 . . . 101 101 A 59 GLY N A 59 GLY H 1.0 . . . 102 102 A 76 GLY N A 76 GLY H 1.0 . . . 103 103 A 94 GLY N A 94 GLY H 1.0 . . . 104 104 A 37 HIS N A 37 HIS H 1.0 . . . 105 105 A 45 HIS N A 45 HIS H 1.0 . . . 106 106 A 24 LYS N A 24 LYS H 1.0 . . . 107 107 A 56 LYS N A 56 LYS H 1.0 . . . 108 108 A 71 LYS N A 71 LYS H 1.0 . . . 109 109 A 103 LEU N A 103 LEU H 1.0 . . . 110 110 A 106 LEU N A 106 LEU H 1.0 . . . 111 111 A 46 LEU N A 46 LEU H 1.0 . . . 112 112 A 55 LEU N A 55 LEU H 1.0 . . . 113 113 A 80 LEU N A 80 LEU H 1.0 . . . 114 114 A 86 MET N A 86 MET H 1.0 . . . 115 115 A 88 MET N A 88 MET H 1.0 . . . 116 116 A 41 ASN N A 41 ASN H 1.0 . . . 117 117 A 32 GLN N A 32 GLN H 1.0 . . . 118 118 A 44 GLN N A 44 GLN H 1.0 . . . 119 119 A 85 GLN N A 85 GLN H 1.0 . . . 120 120 A 52 ARG N A 52 ARG H 1.0 . . . 121 121 A 58 ARG N A 58 ARG H 1.0 . . . 122 122 A 78 ARG N A 78 ARG H 1.0 . . . 123 123 A 74 VAL N A 74 VAL H 1.0 . . . 124 124 A 72 TYR N A 72 TYR H 1.0 . . . stop_ save_