data_nef_c25461_2myx 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 2MYX SGD S000004877 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 41 GLY start . false 2 A 42 ALA middle . . 3 A 43 MET middle . . 4 A 44 GLY middle . false 5 A 45 PRO middle . false 6 A 46 GLN middle . . 7 A 47 GLY middle . false 8 A 48 SER middle . . 9 A 49 THR middle . . 10 A 50 GLN middle . . 11 A 51 ASN middle . . 12 A 52 ALA middle . . 13 A 53 LEU middle . . 14 A 54 ARG middle . . 15 A 55 ARG middle . . 16 A 56 THR middle . . 17 A 57 GLY middle . false 18 A 58 ARG middle . . 19 A 59 VAL middle . . 20 A 60 ASN middle . . 21 A 61 GLY middle . false 22 A 62 GLY middle . false 23 A 63 HIS middle . . 24 A 64 PRO middle . false 25 A 65 VAL middle . . 26 A 66 THR middle . . 27 A 67 THR middle . . 28 A 68 GLN middle . . 29 A 69 MET middle . . 30 A 70 VAL middle . . 31 A 71 GLU middle . . 32 A 72 THR middle . . 33 A 73 VAL middle . . 34 A 74 GLN middle . . 35 A 75 ASN middle . . 36 A 76 LEU middle . . 37 A 77 ALA middle . . 38 A 78 PRO middle . false 39 A 79 ASN middle . . 40 A 80 LEU middle . . 41 A 81 HIS middle . . 42 A 82 PRO middle . false 43 A 83 GLU middle . . 44 A 84 GLN middle . . 45 A 85 ILE middle . . 46 A 86 ARG middle . . 47 A 87 TYR middle . . 48 A 88 SER middle . . 49 A 89 LEU middle . . 50 A 90 GLU middle . . 51 A 91 ASN middle . . 52 A 92 THR middle . . 53 A 93 GLY middle . false 54 A 94 SER middle . . 55 A 95 VAL middle . . 56 A 96 GLU middle . . 57 A 97 GLU middle . . 58 A 98 THR middle . . 59 A 99 VAL middle . . 60 A 100 GLU middle . . 61 A 101 ARG middle . . 62 A 102 TYR middle . . 63 A 103 LEU middle . . 64 A 104 ARG middle . . 65 A 105 GLY middle . false 66 A 106 ASP middle . . 67 A 107 GLU middle . . 68 A 108 PHE middle . . 69 A 109 SER middle . . 70 A 110 PHE middle . . 71 A 111 PRO middle . false 72 A 112 PRO middle . false 73 A 113 GLY middle . false 74 A 114 PHE middle . . 75 A 115 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 42 ALA HA H 1 4.357 0.002 A 42 ALA HB% H 1 1.402 0.000 A 42 ALA C C 13 177.825 0.002 A 42 ALA CA C 13 52.674 0.001 A 42 ALA CB C 13 19.452 0.001 A 43 MET H H 1 8.507 0.003 A 43 MET HA H 1 4.549 0.004 A 43 MET HBy H 1 2.109 0.000 A 43 MET HBx H 1 2.029 0.008 A 43 MET HE% H 1 2.097 0.000 A 43 MET HGy H 1 2.638 0.003 A 43 MET HGx H 1 2.578 0.010 A 43 MET C C 13 176.478 0.006 A 43 MET CA C 13 55.344 0.008 A 43 MET CB C 13 33.129 0.037 A 43 MET CE C 13 16.948 0.000 A 43 MET CG C 13 32.019 0.016 A 43 MET N N 15 119.667 0.012 A 44 GLY H H 1 8.251 0.002 A 44 GLY HAx H 1 4.083 0.000 A 44 GLY HAy H 1 4.151 0.000 A 44 GLY C C 13 172.009 0.000 A 44 GLY CA C 13 44.642 0.005 A 44 GLY N N 15 110.244 0.011 A 45 PRO HA H 1 4.433 0.004 A 45 PRO HBx H 1 2.295 0.000 A 45 PRO HBy H 1 2.295 0.000 A 45 PRO HDx H 1 3.639 0.003 A 45 PRO HDy H 1 3.639 0.003 A 45 PRO HGx H 1 2.022 0.000 A 45 PRO HGy H 1 2.022 0.000 A 45 PRO C C 13 177.510 0.002 A 45 PRO CA C 13 63.405 0.018 A 45 PRO CB C 13 32.106 0.010 A 45 PRO CD C 13 49.862 0.036 A 45 PRO CG C 13 27.289 0.000 A 46 GLN H H 1 8.628 0.001 A 46 GLN HA H 1 4.346 0.004 A 46 GLN HBx H 1 2.134 0.000 A 46 GLN HBy H 1 2.134 0.000 A 46 GLN HGx H 1 2.409 0.002 A 46 GLN HGy H 1 2.409 0.002 A 46 GLN C C 13 176.687 0.006 A 46 GLN CA C 13 56.056 0.027 A 46 GLN CB C 13 29.423 0.043 A 46 GLN CG C 13 33.974 0.041 A 46 GLN N N 15 120.607 0.012 A 47 GLY H H 1 8.411 0.003 A 47 GLY HAx H 1 3.999 0.004 A 47 GLY HAy H 1 3.999 0.004 A 47 GLY C C 13 174.308 0.007 A 47 GLY CA C 13 45.434 0.028 A 47 GLY N N 15 110.011 0.018 A 48 SER H H 1 8.284 0.003 A 48 SER HA H 1 4.542 0.000 A 48 SER HB2 H 1 3.920 0.008 A 48 SER HB3 H 1 3.920 0.008 A 48 SER C C 13 175.288 0.006 A 48 SER CA C 13 58.437 0.024 A 48 SER CB C 13 63.965 0.017 A 48 SER N N 15 115.646 0.029 A 49 THR H H 1 8.282 0.002 A 49 THR HA H 1 4.343 0.004 A 49 THR HB H 1 4.278 0.001 A 49 THR HG2% H 1 1.226 0.000 A 49 THR C C 13 174.948 0.005 A 49 THR CA C 13 62.294 0.003 A 49 THR CB C 13 69.614 0.053 A 49 THR CG2 C 13 21.732 0.000 A 49 THR N N 15 115.928 0.023 A 50 GLN H H 1 8.401 0.005 A 50 GLN HA H 1 4.387 0.007 A 50 GLN HBx H 1 1.985 0.000 A 50 GLN HBy H 1 1.985 0.000 A 50 GLN HGx H 1 2.400 0.004 A 50 GLN HGy H 1 2.400 0.004 A 50 GLN C C 13 176.071 0.008 A 50 GLN CA C 13 56.390 0.058 A 50 GLN CB C 13 29.226 0.000 A 50 GLN CG C 13 33.886 0.032 A 50 GLN N N 15 122.155 0.024 A 51 ASN H H 1 8.395 0.003 A 51 ASN HA H 1 4.638 0.005 A 51 ASN HBx H 1 2.793 0.009 A 51 ASN HBy H 1 2.793 0.009 A 51 ASN C C 13 175.275 0.004 A 51 ASN CA C 13 53.650 0.049 A 51 ASN CB C 13 38.857 0.021 A 51 ASN N N 15 119.604 0.014 A 52 ALA H H 1 8.227 0.004 A 52 ALA HA H 1 4.262 0.005 A 52 ALA HB% H 1 1.398 0.004 A 52 ALA C C 13 177.915 0.005 A 52 ALA CA C 13 53.091 0.017 A 52 ALA CB C 13 19.174 0.065 A 52 ALA N N 15 124.054 0.007 A 53 LEU H H 1 8.097 0.002 A 53 LEU HA H 1 4.292 0.006 A 53 LEU HBx H 1 1.583 0.005 A 53 LEU HBy H 1 1.659 0.002 A 53 LEU HDx% H 1 0.914 0.001 A 53 LEU HDy% H 1 0.866 0.002 A 53 LEU HG H 1 1.619 0.000 A 53 LEU C C 13 177.531 0.006 A 53 LEU CA C 13 55.443 0.001 A 53 LEU CB C 13 42.207 0.008 A 53 LEU CD1 C 13 24.943 0.004 A 53 LEU CD2 C 13 23.522 0.001 A 53 LEU CG C 13 27.087 0.000 A 53 LEU N N 15 120.325 0.005 A 54 ARG H H 1 8.155 0.003 A 54 ARG HA H 1 4.333 0.001 A 54 ARG HBx H 1 1.799 0.004 A 54 ARG HBy H 1 1.799 0.004 A 54 ARG HDx H 1 3.196 0.000 A 54 ARG HDy H 1 3.196 0.000 A 54 ARG HGx H 1 1.634 0.000 A 54 ARG HGy H 1 1.634 0.000 A 54 ARG C C 13 176.332 0.009 A 54 ARG CA C 13 56.187 0.058 A 54 ARG CB C 13 30.736 0.027 A 54 ARG CD C 13 43.390 0.000 A 54 ARG CG C 13 27.245 0.000 A 54 ARG N N 15 121.409 0.005 A 55 ARG H H 1 8.389 0.006 A 55 ARG HA H 1 4.418 0.004 A 55 ARG HB2 H 1 1.880 0.000 A 55 ARG HBy H 1 1.880 0.000 A 55 ARG HBx H 1 1.821 0.000 A 55 ARG HDx H 1 3.205 0.000 A 55 ARG HDy H 1 3.205 0.000 A 55 ARG HGx H 1 1.650 0.000 A 55 ARG HGy H 1 1.650 0.000 A 55 ARG C C 13 176.563 0.010 A 55 ARG CA C 13 56.289 0.016 A 55 ARG CB C 13 30.838 0.018 A 55 ARG CD C 13 43.410 0.000 A 55 ARG CG C 13 27.223 0.000 A 55 ARG N N 15 122.380 0.037 A 56 THR H H 1 8.204 0.005 A 56 THR HA H 1 4.372 0.002 A 56 THR HB H 1 4.263 0.000 A 56 THR HG2% H 1 1.222 0.000 A 56 THR C C 13 175.062 0.005 A 56 THR CA C 13 61.926 0.027 A 56 THR CB C 13 70.016 0.005 A 56 THR CG2 C 13 21.616 0.000 A 56 THR N N 15 114.693 0.010 A 57 GLY H H 1 8.424 0.002 A 57 GLY HAx H 1 3.989 0.007 A 57 GLY HAy H 1 3.989 0.007 A 57 GLY C C 13 173.868 0.012 A 57 GLY CA C 13 45.291 0.048 A 57 GLY N N 15 111.042 0.014 A 58 ARG H H 1 8.232 0.005 A 58 ARG HA H 1 4.386 0.004 A 58 ARG HBy H 1 1.826 0.000 A 58 ARG HBx H 1 1.757 0.000 A 58 ARG HDx H 1 3.186 0.003 A 58 ARG HDy H 1 3.186 0.003 A 58 ARG HGx H 1 1.611 0.006 A 58 ARG HGy H 1 1.611 0.006 A 58 ARG C C 13 176.522 0.004 A 58 ARG CA C 13 56.111 0.027 A 58 ARG CB C 13 31.074 0.012 A 58 ARG CD C 13 43.409 0.009 A 58 ARG CG C 13 27.175 0.035 A 58 ARG N N 15 120.824 0.007 A 59 VAL H H 1 8.307 0.001 A 59 VAL HA H 1 4.120 0.004 A 59 VAL HB H 1 2.065 0.002 A 59 VAL HGx% H 1 0.912 0.005 A 59 VAL HGy% H 1 0.912 0.005 A 59 VAL C C 13 176.022 0.006 A 59 VAL CA C 13 62.413 0.012 A 59 VAL CB C 13 32.815 0.008 A 59 VAL CG1 C 13 20.886 0.029 A 59 VAL N N 15 121.437 0.015 A 60 ASN H H 1 8.593 0.003 A 60 ASN HA H 1 4.737 0.004 A 60 ASN HBy H 1 2.866 0.005 A 60 ASN HBx H 1 2.768 0.009 A 60 ASN HD2x H 1 6.926 0.004 A 60 ASN HD2y H 1 7.647 0.003 A 60 ASN C C 13 175.521 0.005 A 60 ASN CA C 13 53.375 0.053 A 60 ASN CB C 13 39.098 0.009 A 60 ASN N N 15 122.487 0.010 A 60 ASN ND2 N 15 113.326 0.003 A 61 GLY H H 1 8.407 0.002 A 61 GLY HAx H 1 3.940 0.004 A 61 GLY HAy H 1 3.940 0.004 A 61 GLY C C 13 174.361 0.009 A 61 GLY CA C 13 45.499 0.027 A 61 GLY N N 15 109.681 0.026 A 62 GLY H H 1 8.209 0.004 A 62 GLY HAy H 1 3.915 0.000 A 62 GLY HAx H 1 3.857 0.006 A 62 GLY C C 13 173.866 0.009 A 62 GLY CA C 13 45.112 0.009 A 62 GLY N N 15 108.197 0.010 A 63 HIS H H 1 8.587 0.002 A 63 HIS HA H 1 4.799 0.000 A 63 HIS HBy H 1 3.076 0.000 A 63 HIS HBx H 1 2.978 0.000 A 63 HIS HD2 H 1 6.963 0.003 A 63 HIS HE1 H 1 7.925 0.001 A 63 HIS C C 13 173.562 0.000 A 63 HIS CA C 13 54.846 0.007 A 63 HIS CB C 13 30.172 0.024 A 63 HIS CD2 C 13 120.656 0.062 A 63 HIS CE1 C 13 138.456 0.106 A 63 HIS N N 15 121.370 0.021 A 63 HIS ND1 N 15 216.642 0.000 A 63 HIS NE2 N 15 178.911 0.011 A 64 PRO HA H 1 4.461 0.004 A 64 PRO HBy H 1 2.270 0.000 A 64 PRO HBx H 1 1.890 0.000 A 64 PRO HDy H 1 3.893 0.002 A 64 PRO HDx H 1 3.771 0.002 A 64 PRO HGy H 1 2.131 0.000 A 64 PRO HGx H 1 2.060 0.000 A 64 PRO C C 13 176.406 0.001 A 64 PRO CA C 13 63.088 0.060 A 64 PRO CB C 13 32.003 0.008 A 64 PRO CD C 13 50.682 0.014 A 64 PRO CG C 13 27.515 0.000 A 65 VAL H H 1 8.436 0.002 A 65 VAL HA H 1 4.354 0.004 A 65 VAL HB H 1 2.014 0.004 A 65 VAL HGx% H 1 0.960 0.005 A 65 VAL HGy% H 1 0.959 0.003 A 65 VAL C C 13 176.217 0.009 A 65 VAL CA C 13 62.233 0.042 A 65 VAL CB C 13 34.354 0.017 A 65 VAL CG1 C 13 23.561 0.014 A 65 VAL CG2 C 13 22.231 0.062 A 65 VAL N N 15 122.214 0.015 A 66 THR H H 1 7.765 0.004 A 66 THR HA H 1 4.844 0.001 A 66 THR HB H 1 4.772 0.000 A 66 THR HG2% H 1 1.286 0.000 A 66 THR C C 13 175.632 0.007 A 66 THR CA C 13 59.250 0.033 A 66 THR CB C 13 71.632 0.006 A 66 THR CG2 C 13 21.741 0.000 A 66 THR N N 15 118.215 0.009 A 67 THR H H 1 8.901 0.002 A 67 THR HA H 1 3.846 0.005 A 67 THR HB H 1 4.125 0.000 A 67 THR HG2% H 1 1.274 0.007 A 67 THR C C 13 176.323 0.004 A 67 THR CA C 13 66.206 0.011 A 67 THR CB C 13 68.417 0.022 A 67 THR CG2 C 13 22.075 0.279 A 67 THR N N 15 116.809 0.007 A 68 GLN H H 1 8.290 0.002 A 68 GLN HA H 1 4.083 0.006 A 68 GLN HBx H 1 1.970 0.000 A 68 GLN HBy H 1 2.121 0.000 A 68 GLN HE2y H 1 7.556 0.000 A 68 GLN HE2x H 1 6.852 0.000 A 68 GLN HGx H 1 2.435 0.000 A 68 GLN HGy H 1 2.435 0.000 A 68 GLN C C 13 179.056 0.006 A 68 GLN CA C 13 59.654 0.026 A 68 GLN CB C 13 27.931 0.021 A 68 GLN CG C 13 34.289 0.000 A 68 GLN N N 15 120.255 0.004 A 68 GLN NE2 N 15 112.488 0.000 A 69 MET H H 1 7.718 0.005 A 69 MET HA H 1 3.918 0.005 A 69 MET HBy H 1 2.271 0.000 A 69 MET HBx H 1 2.142 0.000 A 69 MET HE% H 1 2.184 0.000 A 69 MET HGy H 1 2.690 0.000 A 69 MET HGx H 1 2.547 0.000 A 69 MET C C 13 177.390 0.006 A 69 MET CA C 13 59.757 0.012 A 69 MET CB C 13 35.178 0.011 A 69 MET CE C 13 16.582 0.000 A 69 MET CG C 13 31.780 0.000 A 69 MET N N 15 120.434 0.007 A 70 VAL H H 1 7.322 0.005 A 70 VAL HA H 1 3.334 0.006 A 70 VAL HB H 1 2.245 0.004 A 70 VAL HGx% H 1 0.905 0.000 A 70 VAL HGy% H 1 0.885 0.001 A 70 VAL C C 13 177.985 0.008 A 70 VAL CA C 13 66.374 0.022 A 70 VAL CB C 13 31.689 0.018 A 70 VAL CG1 C 13 22.827 0.000 A 70 VAL CG2 C 13 20.540 0.000 A 70 VAL N N 15 118.137 0.011 A 71 GLU H H 1 8.446 0.004 A 71 GLU HA H 1 3.932 0.004 A 71 GLU HBx H 1 1.979 0.000 A 71 GLU HBy H 1 1.979 0.000 A 71 GLU HGy H 1 2.401 0.004 A 71 GLU HGx H 1 2.188 0.005 A 71 GLU C C 13 178.984 0.004 A 71 GLU CA C 13 59.328 0.009 A 71 GLU CB C 13 29.582 0.048 A 71 GLU CG C 13 36.666 0.023 A 71 GLU N N 15 118.717 0.008 A 72 THR H H 1 8.055 0.002 A 72 THR HA H 1 3.885 0.006 A 72 THR HB H 1 4.321 0.000 A 72 THR HG2% H 1 1.206 0.007 A 72 THR C C 13 176.837 0.004 A 72 THR CA C 13 66.924 0.021 A 72 THR CB C 13 68.594 0.030 A 72 THR CG2 C 13 21.649 0.001 A 72 THR N N 15 116.413 0.007 A 73 VAL H H 1 7.521 0.004 A 73 VAL HA H 1 3.361 0.010 A 73 VAL HB H 1 2.115 0.002 A 73 VAL HGx% H 1 1.101 0.003 A 73 VAL HGy% H 1 0.638 0.004 A 73 VAL C C 13 177.119 0.007 A 73 VAL CA C 13 66.473 0.027 A 73 VAL CB C 13 30.913 0.027 A 73 VAL CG1 C 13 24.087 0.014 A 73 VAL CG2 C 13 22.267 0.002 A 73 VAL N N 15 119.440 0.007 A 74 GLN H H 1 8.884 0.002 A 74 GLN HA H 1 3.641 0.004 A 74 GLN HBx H 1 1.953 0.002 A 74 GLN HBy H 1 2.055 0.000 A 74 GLN HE2y H 1 7.066 0.000 A 74 GLN HE2x H 1 6.940 0.000 A 74 GLN HGx H 1 2.192 0.008 A 74 GLN HGy H 1 2.269 0.001 A 74 GLN C C 13 177.761 0.005 A 74 GLN CA C 13 58.724 0.013 A 74 GLN CB C 13 29.297 0.027 A 74 GLN CG C 13 34.452 0.018 A 74 GLN N N 15 120.105 0.023 A 74 GLN NE2 N 15 112.455 0.002 A 75 ASN H H 1 7.472 0.005 A 75 ASN HA H 1 4.362 0.005 A 75 ASN HBx H 1 2.768 0.001 A 75 ASN HBy H 1 2.816 0.007 A 75 ASN HD2x H 1 6.976 0.000 A 75 ASN HD2y H 1 7.545 0.000 A 75 ASN C C 13 176.122 0.040 A 75 ASN CA C 13 55.491 0.071 A 75 ASN CB C 13 38.972 0.019 A 75 ASN N N 15 113.460 0.010 A 75 ASN ND2 N 15 113.160 0.001 A 76 LEU H H 1 7.130 0.006 A 76 LEU HA H 1 4.307 0.009 A 76 LEU HBy H 1 1.700 0.006 A 76 LEU HBx H 1 1.535 0.004 A 76 LEU HDx% H 1 0.906 0.000 A 76 LEU HDy% H 1 0.884 0.001 A 76 LEU HG H 1 1.785 0.001 A 76 LEU C C 13 175.358 0.013 A 76 LEU CA C 13 55.378 0.026 A 76 LEU CB C 13 43.436 0.015 A 76 LEU CD1 C 13 23.140 0.000 A 76 LEU CD2 C 13 26.083 0.034 A 76 LEU CG C 13 26.782 0.053 A 76 LEU N N 15 118.225 0.008 A 77 ALA H H 1 7.784 0.005 A 77 ALA HA H 1 4.446 0.000 A 77 ALA HB% H 1 0.008 0.000 A 77 ALA C C 13 173.976 0.008 A 77 ALA CA C 13 49.422 0.001 A 77 ALA CB C 13 17.383 0.004 A 77 ALA N N 15 122.753 0.009 A 78 PRO HA H 1 4.386 0.004 A 78 PRO HBx H 1 1.899 0.002 A 78 PRO HBy H 1 2.355 0.004 A 78 PRO HDy H 1 3.636 0.000 A 78 PRO HDx H 1 3.282 0.003 A 78 PRO HGx H 1 1.910 0.011 A 78 PRO HGy H 1 1.910 0.011 A 78 PRO C C 13 177.311 0.002 A 78 PRO CA C 13 64.598 0.003 A 78 PRO CB C 13 32.141 0.007 A 78 PRO CD C 13 50.428 0.026 A 78 PRO CG C 13 27.334 0.009 A 79 ASN H H 1 7.868 0.005 A 79 ASN HA H 1 4.754 0.004 A 79 ASN HBx H 1 2.966 0.004 A 79 ASN HBy H 1 2.966 0.004 A 79 ASN HD2x H 1 7.116 0.000 A 79 ASN HD2y H 1 7.692 0.000 A 79 ASN C C 13 175.765 0.007 A 79 ASN CA C 13 53.162 0.048 A 79 ASN CB C 13 37.882 0.014 A 79 ASN N N 15 111.571 0.014 A 79 ASN ND2 N 15 113.639 0.000 A 80 LEU H H 1 7.176 0.005 A 80 LEU HA H 1 4.368 0.006 A 80 LEU HBy H 1 1.473 0.002 A 80 LEU HBx H 1 0.876 0.005 A 80 LEU HDx% H 1 -0.241 0.004 A 80 LEU HDy% H 1 0.401 0.003 A 80 LEU HG H 1 1.072 0.000 A 80 LEU C C 13 175.715 0.000 A 80 LEU CA C 13 53.849 0.038 A 80 LEU CB C 13 43.172 0.009 A 80 LEU CD1 C 13 25.111 0.038 A 80 LEU CD2 C 13 22.470 0.001 A 80 LEU CG C 13 25.780 0.000 A 80 LEU N N 15 119.219 0.013 A 81 HIS H H 1 9.023 0.003 A 81 HIS HA H 1 4.742 0.003 A 81 HIS HBy H 1 3.426 0.006 A 81 HIS HBx H 1 2.942 0.004 A 81 HIS HD2 H 1 7.441 0.002 A 81 HIS HE1 H 1 8.036 0.004 A 81 HIS C C 13 176.185 0.000 A 81 HIS CA C 13 55.492 0.035 A 81 HIS CB C 13 33.176 0.006 A 81 HIS CD2 C 13 119.332 0.059 A 81 HIS CE1 C 13 138.823 0.093 A 81 HIS N N 15 123.894 0.014 A 81 HIS ND1 N 15 248.403 0.005 A 81 HIS NE2 N 15 167.145 0.008 A 82 PRO HA H 1 4.013 0.005 A 82 PRO HBx H 1 2.276 0.003 A 82 PRO HBy H 1 2.276 0.003 A 82 PRO HDy H 1 3.649 0.002 A 82 PRO HDx H 1 2.538 0.004 A 82 PRO HGx H 1 1.970 0.006 A 82 PRO HGy H 1 1.970 0.006 A 82 PRO C C 13 178.774 0.023 A 82 PRO CA C 13 66.395 0.051 A 82 PRO CB C 13 32.035 0.048 A 82 PRO CD C 13 50.558 0.030 A 82 PRO CG C 13 27.712 0.033 A 83 GLU H H 1 11.938 0.002 A 83 GLU HA H 1 4.410 0.006 A 83 GLU HBx H 1 1.938 0.009 A 83 GLU HBy H 1 2.061 0.010 A 83 GLU HGx H 1 2.467 0.005 A 83 GLU HGy H 1 2.467 0.005 A 83 GLU C C 13 181.651 0.035 A 83 GLU CA C 13 59.229 0.013 A 83 GLU CB C 13 29.296 0.016 A 83 GLU CG C 13 36.806 0.010 A 83 GLU N N 15 120.128 0.016 A 84 GLN H H 1 7.467 0.005 A 84 GLN HA H 1 3.981 0.001 A 84 GLN HBy H 1 2.583 0.001 A 84 GLN HBx H 1 1.724 0.000 A 84 GLN HE2x H 1 7.247 0.000 A 84 GLN HE2y H 1 7.609 0.000 A 84 GLN HGy H 1 1.254 0.000 A 84 GLN HGx H 1 0.756 0.002 A 84 GLN C C 13 179.958 0.008 A 84 GLN CA C 13 58.950 0.037 A 84 GLN CB C 13 30.670 0.009 A 84 GLN CG C 13 34.281 0.006 A 84 GLN N N 15 117.052 0.011 A 84 GLN NE2 N 15 115.816 0.000 A 85 ILE H H 1 7.750 0.006 A 85 ILE HA H 1 3.333 0.007 A 85 ILE HB H 1 1.970 0.003 A 85 ILE HD1% H 1 0.613 0.003 A 85 ILE HG1x H 1 0.462 0.006 A 85 ILE HG1y H 1 1.534 0.004 A 85 ILE HG2% H 1 0.960 0.003 A 85 ILE C C 13 176.960 0.015 A 85 ILE CA C 13 66.528 0.006 A 85 ILE CB C 13 37.812 0.007 A 85 ILE CD1 C 13 12.884 0.003 A 85 ILE CG1 C 13 29.995 0.015 A 85 ILE CG2 C 13 19.092 0.014 A 85 ILE N N 15 120.448 0.007 A 86 ARG H H 1 8.868 0.004 A 86 ARG HA H 1 3.723 0.004 A 86 ARG HBx H 1 1.927 0.000 A 86 ARG HBy H 1 1.927 0.000 A 86 ARG HDx H 1 3.276 0.000 A 86 ARG HDy H 1 3.276 0.000 A 86 ARG HE H 1 7.872 0.000 A 86 ARG HGx H 1 1.590 0.000 A 86 ARG HGy H 1 1.590 0.000 A 86 ARG C C 13 177.115 0.010 A 86 ARG CA C 13 60.819 0.016 A 86 ARG CB C 13 30.226 0.008 A 86 ARG CD C 13 42.939 0.014 A 86 ARG CG C 13 27.799 0.019 A 86 ARG N N 15 119.593 0.024 A 86 ARG NE N 15 83.375 0.000 A 87 TYR H H 1 7.684 0.005 A 87 TYR HA H 1 4.500 0.004 A 87 TYR HBy H 1 3.196 0.005 A 87 TYR HBx H 1 3.014 0.001 A 87 TYR HD1 H 1 7.222 0.002 A 87 TYR HD2 H 1 7.222 0.002 A 87 TYR HE1 H 1 6.796 0.004 A 87 TYR HE2 H 1 6.796 0.004 A 87 TYR C C 13 177.597 0.013 A 87 TYR CA C 13 60.123 0.024 A 87 TYR CB C 13 38.435 0.010 A 87 TYR CD2 C 13 133.296 0.008 A 87 TYR CE2 C 13 118.028 0.000 A 87 TYR N N 15 116.869 0.009 A 88 SER H H 1 7.510 0.005 A 88 SER HA H 1 4.155 0.005 A 88 SER HBy H 1 4.097 0.005 A 88 SER HBx H 1 4.059 0.006 A 88 SER C C 13 177.666 0.030 A 88 SER CA C 13 61.207 0.030 A 88 SER CB C 13 62.880 0.027 A 88 SER N N 15 110.655 0.013 A 89 LEU H H 1 8.522 0.004 A 89 LEU HA H 1 4.193 0.006 A 89 LEU HBy H 1 2.019 0.003 A 89 LEU HBx H 1 1.272 0.003 A 89 LEU HDx% H 1 0.782 0.001 A 89 LEU HDy% H 1 0.763 0.002 A 89 LEU HG H 1 1.893 0.001 A 89 LEU C C 13 180.057 0.006 A 89 LEU CA C 13 57.377 0.081 A 89 LEU CB C 13 43.345 0.011 A 89 LEU CD1 C 13 22.904 0.005 A 89 LEU CD2 C 13 28.315 0.018 A 89 LEU CG C 13 27.134 0.032 A 89 LEU N N 15 119.356 0.011 A 90 GLU H H 1 8.511 0.005 A 90 GLU HA H 1 4.116 0.003 A 90 GLU HBy H 1 2.229 0.004 A 90 GLU HBx H 1 2.037 0.002 A 90 GLU HGy H 1 2.614 0.003 A 90 GLU HGx H 1 2.336 0.002 A 90 GLU C C 13 177.812 0.006 A 90 GLU CA C 13 59.042 0.015 A 90 GLU CB C 13 29.992 0.025 A 90 GLU CG C 13 37.281 0.035 A 90 GLU N N 15 120.190 0.006 A 91 ASN H H 1 7.465 0.006 A 91 ASN HA H 1 4.686 0.003 A 91 ASN HBy H 1 2.790 0.006 A 91 ASN HBx H 1 2.671 0.003 A 91 ASN HD2x H 1 5.646 0.000 A 91 ASN HD2y H 1 7.111 0.000 A 91 ASN C C 13 177.109 0.009 A 91 ASN CA C 13 55.690 0.041 A 91 ASN CB C 13 40.486 0.022 A 91 ASN N N 15 115.736 0.013 A 91 ASN ND2 N 15 112.371 0.002 A 92 THR H H 1 9.251 0.002 A 92 THR HA H 1 4.142 0.009 A 92 THR HB H 1 4.144 0.005 A 92 THR HG2% H 1 1.123 0.003 A 92 THR C C 13 176.599 0.012 A 92 THR CA C 13 62.581 0.039 A 92 THR CB C 13 70.198 0.056 A 92 THR CG2 C 13 20.892 0.002 A 92 THR N N 15 110.330 0.009 A 93 GLY H H 1 8.682 0.001 A 93 GLY HAy H 1 3.566 0.004 A 93 GLY HAx H 1 3.255 0.007 A 93 GLY C C 13 174.132 0.008 A 93 GLY CA C 13 45.671 0.017 A 93 GLY N N 15 112.211 0.011 A 94 SER H H 1 8.058 0.003 A 94 SER HA H 1 4.784 0.004 A 94 SER HBy H 1 3.877 0.003 A 94 SER HBx H 1 3.484 0.004 A 94 SER C C 13 173.862 0.005 A 94 SER CA C 13 56.221 0.017 A 94 SER CB C 13 64.454 0.053 A 94 SER N N 15 111.808 0.011 A 95 VAL H H 1 8.983 0.003 A 95 VAL HA H 1 3.357 0.006 A 95 VAL HB H 1 1.994 0.000 A 95 VAL HGx% H 1 1.108 0.003 A 95 VAL HGy% H 1 0.849 0.001 A 95 VAL C C 13 176.909 0.010 A 95 VAL CA C 13 66.806 0.016 A 95 VAL CB C 13 32.319 0.028 A 95 VAL CG1 C 13 22.759 0.005 A 95 VAL CG2 C 13 20.830 0.024 A 95 VAL N N 15 129.818 0.005 A 96 GLU H H 1 8.673 0.005 A 96 GLU HA H 1 3.824 0.004 A 96 GLU HBx H 1 1.949 0.000 A 96 GLU HBy H 1 1.949 0.000 A 96 GLU HGy H 1 2.407 0.004 A 96 GLU HGx H 1 2.255 0.001 A 96 GLU C C 13 179.126 0.005 A 96 GLU CA C 13 60.825 0.005 A 96 GLU CB C 13 29.009 0.035 A 96 GLU CG C 13 37.242 0.006 A 96 GLU N N 15 117.745 0.015 A 97 GLU H H 1 8.125 0.003 A 97 GLU HA H 1 4.146 0.007 A 97 GLU HBy H 1 2.082 0.000 A 97 GLU HBx H 1 1.841 0.000 A 97 GLU HGx H 1 2.284 0.003 A 97 GLU HGy H 1 2.284 0.003 A 97 GLU C C 13 178.947 0.005 A 97 GLU CA C 13 58.941 0.021 A 97 GLU CB C 13 29.744 0.046 A 97 GLU CG C 13 35.831 0.010 A 97 GLU N N 15 120.049 0.006 A 98 THR H H 1 8.038 0.002 A 98 THR HA H 1 3.805 0.005 A 98 THR HB H 1 4.188 0.000 A 98 THR HG2% H 1 1.370 0.003 A 98 THR C C 13 175.676 0.006 A 98 THR CA C 13 70.162 0.051 A 98 THR CB C 13 69.317 0.009 A 98 THR CG2 C 13 21.369 0.032 A 98 THR N N 15 118.623 0.005 A 99 VAL H H 1 8.724 0.003 A 99 VAL HA H 1 3.541 0.004 A 99 VAL HB H 1 2.200 0.005 A 99 VAL HGx% H 1 1.037 0.003 A 99 VAL HGy% H 1 1.014 0.005 A 99 VAL C C 13 177.456 0.006 A 99 VAL CA C 13 67.924 0.026 A 99 VAL CB C 13 31.566 0.039 A 99 VAL CG1 C 13 25.255 0.000 A 99 VAL CG2 C 13 21.675 0.026 A 99 VAL N N 15 120.683 0.007 A 100 GLU H H 1 8.324 0.004 A 100 GLU HA H 1 4.014 0.003 A 100 GLU HBy H 1 2.213 0.002 A 100 GLU HBx H 1 2.144 0.003 A 100 GLU HGy H 1 2.362 0.000 A 100 GLU HGx H 1 2.274 0.004 A 100 GLU C C 13 179.857 0.006 A 100 GLU CA C 13 60.220 0.007 A 100 GLU CB C 13 29.208 0.039 A 100 GLU CG C 13 36.288 0.006 A 100 GLU N N 15 120.914 0.009 A 101 ARG H H 1 8.197 0.005 A 101 ARG HA H 1 3.873 0.007 A 101 ARG HBx H 1 1.868 0.002 A 101 ARG HBy H 1 2.092 0.000 A 101 ARG HDx H 1 2.763 0.005 A 101 ARG HDy H 1 3.003 0.003 A 101 ARG HE H 1 7.872 0.000 A 101 ARG HGy H 1 2.033 0.000 A 101 ARG HGx H 1 1.621 0.000 A 101 ARG C C 13 178.078 0.006 A 101 ARG CA C 13 59.978 0.035 A 101 ARG CB C 13 29.946 0.005 A 101 ARG CD C 13 43.746 0.005 A 101 ARG CG C 13 28.427 0.000 A 101 ARG N N 15 118.451 0.006 A 101 ARG NE N 15 85.743 0.000 A 102 TYR H H 1 8.180 0.004 A 102 TYR HA H 1 4.475 0.003 A 102 TYR HBx H 1 2.954 0.004 A 102 TYR HBy H 1 3.329 0.003 A 102 TYR HD1 H 1 6.759 0.004 A 102 TYR HD2 H 1 6.759 0.004 A 102 TYR HE1 H 1 6.767 0.002 A 102 TYR HE2 H 1 6.767 0.002 A 102 TYR C C 13 180.056 0.005 A 102 TYR CA C 13 61.526 0.005 A 102 TYR CB C 13 37.516 0.017 A 102 TYR CD1 C 13 133.034 0.002 A 102 TYR CE1 C 13 118.820 0.000 A 102 TYR N N 15 119.888 0.024 A 103 LEU H H 1 9.050 0.002 A 103 LEU HA H 1 3.831 0.007 A 103 LEU HBx H 1 1.477 0.003 A 103 LEU HBy H 1 1.973 0.006 A 103 LEU HDx% H 1 0.994 0.001 A 103 LEU HDy% H 1 0.994 0.001 A 103 LEU HG H 1 0.952 0.006 A 103 LEU C C 13 178.973 0.007 A 103 LEU CA C 13 57.425 0.013 A 103 LEU CB C 13 41.622 0.008 A 103 LEU CD1 C 13 22.106 0.020 A 103 LEU CG C 13 26.074 0.011 A 103 LEU N N 15 122.091 0.007 A 104 ARG H H 1 7.888 0.005 A 104 ARG HA H 1 4.376 0.004 A 104 ARG HBx H 1 1.871 0.008 A 104 ARG HBy H 1 2.010 0.004 A 104 ARG HDx H 1 3.159 0.003 A 104 ARG HDy H 1 3.159 0.003 A 104 ARG HE H 1 7.883 0.000 A 104 ARG HGy H 1 1.933 0.001 A 104 ARG HGx H 1 1.667 0.002 A 104 ARG C C 13 176.877 0.010 A 104 ARG CA C 13 56.572 0.019 A 104 ARG CB C 13 30.478 0.016 A 104 ARG CD C 13 44.098 0.069 A 104 ARG CG C 13 26.669 0.006 A 104 ARG N N 15 116.388 0.009 A 104 ARG NE N 15 85.295 0.000 A 105 GLY H H 1 7.688 0.005 A 105 GLY HAy H 1 4.204 0.005 A 105 GLY HAx H 1 3.731 0.005 A 105 GLY C C 13 174.796 0.025 A 105 GLY CA C 13 45.332 0.006 A 105 GLY N N 15 107.432 0.019 A 106 ASP H H 1 7.878 0.004 A 106 ASP HA H 1 4.381 0.003 A 106 ASP HBx H 1 2.475 0.006 A 106 ASP HBy H 1 2.475 0.006 A 106 ASP C C 13 175.595 0.006 A 106 ASP CA C 13 55.037 0.025 A 106 ASP CB C 13 40.571 0.001 A 106 ASP N N 15 121.505 0.005 A 107 GLU H H 1 8.394 0.002 A 107 GLU HA H 1 4.382 0.004 A 107 GLU HBx H 1 1.965 0.003 A 107 GLU HBy H 1 1.965 0.003 A 107 GLU HGy H 1 2.328 0.000 A 107 GLU HGx H 1 2.213 0.000 A 107 GLU C C 13 177.123 0.006 A 107 GLU CA C 13 56.475 0.030 A 107 GLU CB C 13 30.522 0.035 A 107 GLU CG C 13 36.362 0.000 A 107 GLU N N 15 119.581 0.006 A 108 PHE H H 1 9.373 0.001 A 108 PHE HA H 1 4.622 0.003 A 108 PHE HBy H 1 3.045 0.004 A 108 PHE HBx H 1 2.744 0.005 A 108 PHE HD1 H 1 7.358 0.002 A 108 PHE HD2 H 1 7.358 0.002 A 108 PHE HE1 H 1 7.161 0.003 A 108 PHE HE2 H 1 7.161 0.003 A 108 PHE HZ H 1 7.706 0.004 A 108 PHE C C 13 176.186 0.007 A 108 PHE CA C 13 57.230 0.025 A 108 PHE CB C 13 40.244 0.026 A 108 PHE CD2 C 13 131.861 0.014 A 108 PHE CE2 C 13 130.769 0.007 A 108 PHE CZ C 13 129.547 0.020 A 108 PHE N N 15 126.975 0.011 A 109 SER H H 1 8.694 0.001 A 109 SER HA H 1 4.582 0.002 A 109 SER HB2 H 1 4.055 0.002 A 109 SER HB3 H 1 3.847 0.005 A 109 SER C C 13 175.060 0.004 A 109 SER CA C 13 58.928 0.009 A 109 SER CB C 13 64.213 0.020 A 109 SER N N 15 121.198 0.012 A 110 PHE H H 1 8.965 0.002 A 110 PHE HA H 1 4.187 0.000 A 110 PHE HBy H 1 2.771 0.002 A 110 PHE HBx H 1 2.627 0.003 A 110 PHE HD1 H 1 6.765 0.009 A 110 PHE HD2 H 1 6.765 0.009 A 110 PHE HE1 H 1 7.020 0.004 A 110 PHE HE2 H 1 7.020 0.004 A 110 PHE HZ H 1 7.025 0.002 A 110 PHE C C 13 172.930 0.000 A 110 PHE CA C 13 57.749 0.012 A 110 PHE CB C 13 38.497 0.034 A 110 PHE CD1 C 13 131.396 0.029 A 110 PHE CE1 C 13 131.754 0.032 A 110 PHE CZ C 13 129.944 0.033 A 110 PHE N N 15 121.734 0.009 A 111 PRO HA H 1 3.349 0.001 A 111 PRO HBy H 1 1.867 0.001 A 111 PRO HBx H 1 1.767 0.006 A 111 PRO HDy H 1 3.410 0.002 A 111 PRO HDx H 1 3.242 0.002 A 111 PRO HGy H 1 2.127 0.005 A 111 PRO HGx H 1 2.029 0.001 A 111 PRO CA C 13 61.072 0.009 A 111 PRO CD C 13 49.626 0.030 A 111 PRO CG C 13 27.486 0.006 A 112 PRO HA H 1 4.318 0.003 A 112 PRO HBx H 1 1.873 0.000 A 112 PRO HBy H 1 2.291 0.000 A 112 PRO HDy H 1 3.478 0.002 A 112 PRO HDx H 1 3.428 0.004 A 112 PRO HGy H 1 2.115 0.006 A 112 PRO HGx H 1 2.059 0.000 A 112 PRO C C 13 177.703 0.002 A 112 PRO CA C 13 63.589 0.021 A 112 PRO CB C 13 31.758 0.016 A 112 PRO CD C 13 50.683 0.009 A 112 PRO CG C 13 27.653 0.011 A 113 GLY H H 1 8.682 0.002 A 113 GLY HAy H 1 4.015 0.008 A 113 GLY HAx H 1 3.771 0.000 A 113 GLY C C 13 174.074 0.009 A 113 GLY CA C 13 45.160 0.005 A 113 GLY N N 15 110.960 0.005 A 114 PHE H H 1 7.771 0.003 A 114 PHE HA H 1 4.310 0.005 A 114 PHE HBy H 1 3.053 0.003 A 114 PHE HBx H 1 2.923 0.003 A 114 PHE HD1 H 1 7.023 0.007 A 114 PHE HD2 H 1 7.023 0.007 A 114 PHE HE1 H 1 7.065 0.007 A 114 PHE HE2 H 1 7.065 0.007 A 114 PHE HZ H 1 7.070 0.001 A 114 PHE C C 13 174.567 0.006 A 114 PHE CA C 13 59.324 0.033 A 114 PHE CB C 13 40.149 0.017 A 114 PHE CD1 C 13 131.794 0.000 A 114 PHE CE1 C 13 131.465 0.024 A 114 PHE CZ C 13 130.095 0.057 A 114 PHE N N 15 120.992 0.011 A 115 GLU H H 1 7.484 0.005 A 115 GLU HA H 1 3.855 0.001 A 115 GLU HBy H 1 1.860 0.000 A 115 GLU HBx H 1 1.728 0.000 A 115 GLU HGx H 1 2.028 0.001 A 115 GLU HGy H 1 2.028 0.001 A 115 GLU C C 13 180.076 0.004 A 115 GLU CA C 13 57.811 0.039 A 115 GLU CB C 13 31.615 0.000 A 115 GLU CG C 13 36.415 0.006 A 115 GLU N N 15 127.874 0.018 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 92 THR HB A 98 THR H 1.0 . 5.01 2 2 A 92 THR HB A 97 GLU HBy 1.0 . 4.45 3 3 A 98 THR HA A 101 ARG H 1.0 . 4.91 4 4 A 98 THR HA A 102 TYR H 1.0 . 5.44 5 5 A 98 THR HA A 99 VAL HA 1.0 . 4.72 6 6 A 66 THR HB A 67 THR HB 1.0 . 4.51 7 7 A 99 VAL HA A 102 TYR HBy 1.0 . 3.76 8 8 A 72 THR HA A 72 THR HG2% 1.0 . 3.31 9 9 A 70 VAL HA A 74 GLN H 1.0 . 4.94 10 10 A 95 VAL HA A 98 THR HB 1.0 . 3.77 11 11 A 95 VAL HA A 96 GLU HA 1.0 . 5.31 12 12 A 98 THR HA A 95 VAL HA 1.0 . 5.50 13 13 A 73 VAL HA A 76 LEU HBy 1.0 . 4.06 14 14 A 95 VAL HA A 95 VAL HGx% 1.0 . 3.75 15 15 A 95 VAL HA A 95 VAL HGy% 1.0 . 3.75 16 16 A 82 PRO HA A 86 ARG H 1.0 . 5.27 17 17 A 82 PRO HA A 85 ILE H 1.0 . 4.29 18 18 A 82 PRO HA A 85 ILE HG1y 1.0 . 4.53 19 19 A 82 PRO HA A 85 ILE HD1% 1.0 . 3.42 20 20 A 82 PRO HA A 85 ILE HG1x 1.0 . 5.01 21 21 A 85 ILE HA A 88 SER HBy 1.0 . 4.58 22 22 A 85 ILE HG1y A 85 ILE HA 1.0 . 3.83 23 23 A 85 ILE HA A 98 THR HG2% 1.0 . 4.35 24 24 A 85 ILE HG1x A 85 ILE HA 1.0 . 3.66 25 25 A 85 ILE HA A 80 LEU HDx% 1.0 . 4.49 26 26 A 67 THR HA A 71 GLU H 1.0 . 4.60 27 27 A 66 THR HB A 67 THR HA 1.0 . 5.00 28 28 A 67 THR HA A 70 VAL HB 1.0 . 3.54 29 29 A 67 THR HA A 67 THR HG2% 1.0 . 3.46 30 30 A 108 PHE HD% A 88 SER HBx 1.0 . 4.43 31 31 A 85 ILE HA A 88 SER HBx 1.0 . 4.58 32 32 A 98 THR HG2% A 88 SER HBx 1.0 . 4.35 33 33 A 58 ARG HA A 59 VAL HA 1.0 . 4.50 34 34 A 92 THR HA A 97 GLU HGx 1.0 . 4.69 35 34 A 92 THR HA A 97 GLU HGy 1.0 . 4.69 36 35 A 59 VAL HA A 59 VAL HGx% 1.0 . 3.54 37 35 A 59 VAL HA A 59 VAL HGy% 1.0 . 3.54 38 36 A 56 THR HA A 56 THR HG2% 1.0 . 3.43 39 37 A 88 SER HA A 90 GLU H 1.0 . 5.27 40 38 A 87 TYR HE% A 111 PRO HA 1.0 . 4.42 41 39 A 111 PRO HA A 112 PRO HDy 1.0 . 3.56 42 40 A 111 PRO HA A 112 PRO HDx 1.0 . 3.56 43 41 A 96 GLU HA A 99 VAL HB 1.0 . 3.51 44 42 A 86 ARG HA A 89 LEU HBy 1.0 . 3.75 45 43 A 86 ARG HA A 86 ARG HGx 1.0 . 3.65 46 43 A 86 ARG HA A 86 ARG HGy 1.0 . 3.65 47 44 A 86 ARG HA A 70 VAL HGx% 1.0 . 4.40 48 45 A 100 GLU HA A 103 LEU H 1.0 . 4.18 49 46 A 100 GLU HA A 101 ARG HA 1.0 . 4.86 50 47 A 100 GLU HA A 100 GLU HGy 1.0 . 4.09 51 48 A 100 GLU HA A 103 LEU HDx% 1.0 . 3.86 52 48 A 100 GLU HA A 103 LEU HDy% 1.0 . 3.86 53 49 A 101 ARG HA A 106 ASP HBx 1.0 . 4.58 54 49 A 101 ARG HA A 106 ASP HBy 1.0 . 4.58 55 50 A 101 ARG HA A 104 ARG HBy 1.0 . 3.74 56 51 A 68 GLN HA A 71 GLU HGy 1.0 . 4.01 57 52 A 69 MET HA A 72 THR H 1.0 . 4.25 58 53 A 69 MET HA A 72 THR HB 1.0 . 3.70 59 54 A 69 MET HA A 69 MET HGy 1.0 . 3.94 60 55 A 69 MET HA A 69 MET HGx 1.0 . 3.94 61 56 A 71 GLU HGy A 71 GLU HA 1.0 . 4.14 62 57 A 71 GLU HA A 74 GLN HGx 1.0 . 4.54 63 58 A 71 GLU HA A 74 GLN HBy 1.0 . 3.19 64 59 A 72 THR HG2% A 69 MET HA 1.0 . 4.61 65 60 A 69 MET HA A 89 LEU HDy% 1.0 . 5.33 66 61 A 83 GLU HA A 83 GLU HGx 1.0 . 3.70 67 61 A 83 GLU HA A 83 GLU HGy 1.0 . 3.70 68 62 A 96 GLU HA A 97 GLU HA 1.0 . 5.50 69 63 A 98 THR HA A 97 GLU HA 1.0 . 5.50 70 64 A 90 GLU HA A 90 GLU HGy 1.0 . 4.06 71 65 A 90 GLU HA A 90 GLU HGx 1.0 . 4.06 72 66 A 109 SER HA A 110 PHE HA 1.0 . 4.62 73 67 A 109 SER HA A 110 PHE HBy 1.0 . 4.56 74 68 A 97 GLU HA A 100 GLU HBy 1.0 . 3.99 75 69 A 84 GLN HA A 87 TYR HBx 1.0 . 4.50 76 70 A 84 GLN HA A 84 GLN HGy 1.0 . 3.93 77 71 A 84 GLN HA A 84 GLN HGx 1.0 . 4.18 78 72 A 74 GLN HA A 75 ASN HA 1.0 . 5.28 79 73 A 74 GLN HA A 78 PRO HA 1.0 . 5.50 80 74 A 74 GLN HA A 74 GLN HGy 1.0 . 4.08 81 75 A 85 ILE HD1% A 74 GLN HA 1.0 . 3.25 82 76 A 48 SER HA A 49 THR HA 1.0 . 4.63 83 77 A 115 GLU HA A 115 GLU HGx 1.0 . 4.15 84 77 A 115 GLU HA A 115 GLU HGy 1.0 . 4.15 85 78 A 89 LEU HA A 92 THR H 1.0 . 4.36 86 79 A 89 LEU HA A 94 SER H 1.0 . 4.58 87 80 A 110 PHE HA A 111 PRO HDy 1.0 . 3.50 88 81 A 110 PHE HA A 111 PRO HDx 1.0 . 3.32 89 82 A 89 LEU HA A 89 LEU HG 1.0 . 3.93 90 83 A 89 LEU HA A 92 THR HG2% 1.0 . 4.26 91 84 A 89 LEU HA A 65 VAL HGy% 1.0 . 5.24 92 85 A 107 GLU HA A 108 PHE HA 1.0 . 4.46 93 86 A 103 LEU HA A 104 ARG HA 1.0 . 4.95 94 87 A 58 ARG HA A 58 ARG HDx 1.0 . 4.23 95 87 A 58 ARG HA A 58 ARG HDy 1.0 . 4.23 96 88 A 58 ARG HA A 58 ARG HGx 1.0 . 3.80 97 88 A 58 ARG HA A 58 ARG HGy 1.0 . 3.80 98 89 A 58 ARG HA A 59 VAL HGx% 1.0 . 4.73 99 89 A 58 ARG HA A 59 VAL HGy% 1.0 . 4.73 100 90 A 54 ARG HA A 54 ARG HGx 1.0 . 4.01 101 90 A 54 ARG HA A 54 ARG HGy 1.0 . 4.01 102 91 A 76 LEU HA A 77 ALA HA 1.0 . 4.63 103 92 A 76 LEU HA A 76 LEU HG 1.0 . 3.82 104 93 A 106 ASP HA A 107 GLU H 1.0 . 2.89 105 94 A 106 ASP HA A 105 GLY HAy 1.0 . 4.97 106 95 A 106 ASP HA A 104 ARG HGy 1.0 . 4.92 107 96 A 106 ASP HA A 107 GLU HBx 1.0 . 5.27 108 96 A 106 ASP HA A 107 GLU HBy 1.0 . 5.27 109 97 A 79 ASN HA A 80 LEU HA 1.0 . 4.64 110 98 A 80 LEU HA A 79 ASN HBx 1.0 . 4.70 111 98 A 80 LEU HA A 79 ASN HBy 1.0 . 4.70 112 99 A 80 LEU HA A 80 LEU HG 1.0 . 4.23 113 100 A 63 HIS HA A 64 PRO HDy 1.0 . 3.32 114 101 A 63 HIS HA A 64 PRO HDx 1.0 . 3.32 115 102 A 111 PRO HBy A 112 PRO HDy 1.0 . 4.33 116 103 A 111 PRO HBy A 112 PRO HDx 1.0 . 4.33 117 104 A 81 HIS HA A 82 PRO HDx 1.0 . 3.42 118 105 A 77 ALA HA A 78 PRO HDx 1.0 . 3.42 119 106 A 76 LEU HA A 78 PRO HDx 1.0 . 4.55 120 107 A 44 GLY HAy A 45 PRO HDx 1.0 . 3.57 121 107 A 44 GLY HAy A 45 PRO HDy 1.0 . 3.57 122 108 A 111 PRO HDy A 114 PHE HBy 1.0 . 4.16 123 109 A 111 PRO HDy A 110 PHE HBx 1.0 . 3.57 124 110 A 111 PRO HDy A 83 GLU HBy 1.0 . 4.38 125 111 A 87 TYR HBx A 111 PRO HDx 1.0 . 4.48 126 112 A 110 PHE HBy A 111 PRO HDx 1.0 . 4.72 127 113 A 111 PRO HDx A 110 PHE HBx 1.0 . 4.29 128 114 A 63 HIS HBy A 93 GLY HAy 1.0 . 4.55 129 115 A 63 HIS HBx A 93 GLY HAy 1.0 . 4.55 130 116 A 63 HIS HBy A 93 GLY HAx 1.0 . 4.55 131 117 A 60 ASN HA A 61 GLY HAx 1.0 . 4.30 132 117 A 60 ASN HA A 61 GLY HAy 1.0 . 4.30 133 118 A 48 SER HA A 47 GLY HAx 1.0 . 4.46 134 118 A 48 SER HA A 47 GLY HAy 1.0 . 4.46 135 119 A 46 GLN HA A 47 GLY HAx 1.0 . 4.77 136 119 A 47 GLY HAy A 46 GLN HA 1.0 . 4.77 137 120 A 56 THR HA A 57 GLY HAx 1.0 . 5.36 138 120 A 56 THR HA A 57 GLY HAy 1.0 . 5.36 139 121 A 58 ARG HA A 57 GLY HAx 1.0 . 5.32 140 121 A 58 ARG HA A 57 GLY HAy 1.0 . 5.32 141 122 A 46 GLN HBx A 47 GLY HAx 1.0 . 4.54 142 122 A 46 GLN HBy A 47 GLY HAx 1.0 . 4.54 143 122 A 47 GLY HAy A 46 GLN HBx 1.0 . 4.54 144 122 A 47 GLY HAy A 46 GLN HBy 1.0 . 4.54 145 123 A 58 ARG HBy A 57 GLY HAx 1.0 . 5.50 146 123 A 57 GLY HAy A 58 ARG HBy 1.0 . 5.50 147 124 A 58 ARG HBx A 57 GLY HAx 1.0 . 5.50 148 124 A 57 GLY HAy A 58 ARG HBx 1.0 . 5.50 149 125 A 63 HIS HA A 62 GLY HAx 1.0 . 4.71 150 126 A 44 GLY HAx A 45 PRO HDx 1.0 . 3.57 151 126 A 45 PRO HDy A 44 GLY HAx 1.0 . 3.57 152 127 A 104 ARG HA A 104 ARG HDx 1.0 . 5.21 153 127 A 104 ARG HA A 104 ARG HDy 1.0 . 5.21 154 128 A 106 ASP HA A 104 ARG HDx 1.0 . 5.45 155 128 A 106 ASP HA A 104 ARG HDy 1.0 . 5.45 156 129 A 101 ARG HA A 104 ARG HDx 1.0 . 4.36 157 129 A 101 ARG HA A 104 ARG HDy 1.0 . 4.36 158 130 A 104 ARG HBy A 104 ARG HDx 1.0 . 3.57 159 130 A 104 ARG HBy A 104 ARG HDy 1.0 . 3.57 160 131 A 101 ARG HBx A 101 ARG HDy 1.0 . 3.88 161 132 A 98 THR HA A 101 ARG HDx 1.0 . 4.11 162 133 A 101 ARG HDx A 97 GLU HGx 1.0 . 4.58 163 133 A 97 GLU HGy A 101 ARG HDx 1.0 . 4.58 164 134 A 101 ARG HDx A 101 ARG HBy 1.0 . 4.20 165 135 A 101 ARG HBx A 101 ARG HDx 1.0 . 4.21 166 136 A 92 THR HG2% A 101 ARG HDx 1.0 . 4.00 167 137 A 54 ARG H A 54 ARG HDx 1.0 . 4.65 168 137 A 54 ARG H A 54 ARG HDy 1.0 . 4.65 169 138 A 55 ARG HA A 55 ARG HDx 1.0 . 5.21 170 138 A 55 ARG HA A 55 ARG HDy 1.0 . 5.21 171 139 A 54 ARG HA A 54 ARG HDx 1.0 . 4.38 172 139 A 54 ARG HA A 54 ARG HDy 1.0 . 4.38 173 140 A 57 GLY HAx A 58 ARG HDx 1.0 . 4.30 174 140 A 57 GLY HAy A 58 ARG HDx 1.0 . 4.30 175 140 A 58 ARG HDy A 57 GLY HAx 1.0 . 4.30 176 140 A 58 ARG HDy A 57 GLY HAy 1.0 . 4.30 177 141 A 76 LEU HBy A 99 VAL HGy% 1.0 . 4.70 178 142 A 76 LEU HBy A 76 LEU HDx% 1.0 . 3.80 179 143 A 73 VAL HA A 76 LEU HBx 1.0 . 4.96 180 144 A 86 ARG HA A 89 LEU HBx 1.0 . 4.92 181 145 A 98 THR HG2% A 89 LEU HBx 1.0 . 5.44 182 146 A 85 ILE HD1% A 80 LEU HBy 1.0 . 3.87 183 147 A 85 ILE HA A 80 LEU HBx 1.0 . 5.34 184 148 A 80 LEU HBx A 84 GLN HBx 1.0 . 5.50 185 149 A 85 ILE HD1% A 80 LEU HBx 1.0 . 4.20 186 150 A 86 ARG HBx A 86 ARG HDx 1.0 . 3.76 187 150 A 86 ARG HBy A 86 ARG HDx 1.0 . 3.76 188 150 A 86 ARG HDy A 86 ARG HBx 1.0 . 3.76 189 150 A 86 ARG HBy A 86 ARG HDy 1.0 . 3.76 190 151 A 103 LEU HBy A 104 ARG H 1.0 . 4.33 191 152 A 100 GLU HA A 103 LEU HBy 1.0 . 4.79 192 153 A 103 LEU HBy A 103 LEU HDx% 1.0 . 3.65 193 153 A 103 LEU HDy% A 103 LEU HBy 1.0 . 3.65 194 154 A 100 GLU HA A 103 LEU HBx 1.0 . 5.31 195 155 A 88 SER HA A 91 ASN HBy 1.0 . 4.20 196 156 A 92 THR HG2% A 91 ASN HBy 1.0 . 4.49 197 157 A 91 ASN H A 91 ASN HBx 1.0 . 3.68 198 158 A 88 SER HA A 91 ASN HBx 1.0 . 4.83 199 159 A 92 THR HA A 91 ASN HBx 1.0 . 5.06 200 160 A 92 THR HG2% A 91 ASN HBx 1.0 . 4.35 201 161 A 101 ARG HBy A 106 ASP HBx 1.0 . 4.68 202 161 A 106 ASP HBy A 101 ARG HBy 1.0 . 4.68 203 162 A 106 ASP HBy A 104 ARG HGy 1.0 . 5.50 204 162 A 104 ARG HGy A 106 ASP HBx 1.0 . 5.50 205 163 A 101 ARG HBx A 106 ASP HBx 1.0 . 3.85 206 163 A 106 ASP HBy A 101 ARG HBx 1.0 . 3.85 207 164 A 111 PRO HA A 114 PHE HBy 1.0 . 5.50 208 165 A 111 PRO HDx A 114 PHE HBy 1.0 . 4.94 209 166 A 84 GLN HBx A 108 PHE HBy 1.0 . 5.10 210 167 A 111 PRO HBy A 114 PHE HBy 1.0 . 5.45 211 168 A 111 PRO HDy A 114 PHE HBx 1.0 . 4.60 212 169 A 110 PHE HBy A 114 PHE HBx 1.0 . 4.10 213 170 A 75 ASN H A 75 ASN HBy 1.0 . 3.66 214 171 A 75 ASN HBy A 76 LEU H 1.0 . 4.14 215 172 A 72 THR HA A 75 ASN HBy 1.0 . 5.17 216 173 A 72 THR HA A 75 ASN HBx 1.0 . 4.26 217 174 A 114 PHE HBy A 110 PHE HBx 1.0 . 4.48 218 175 A 110 PHE HBx A 114 PHE HBx 1.0 . 4.17 219 176 A 87 TYR HBy A 111 PRO HGx 1.0 . 4.14 220 177 A 87 TYR HBy A 111 PRO HBx 1.0 . 4.52 221 178 A 82 PRO HA A 85 ILE HB 1.0 . 3.78 222 179 A 85 ILE HD1% A 85 ILE HB 1.0 . 3.65 223 180 A 111 PRO HDy A 83 GLU HGx 1.0 . 4.66 224 180 A 83 GLU HGy A 111 PRO HDy 1.0 . 4.66 225 181 A 111 PRO HGx A 83 GLU HGx 1.0 . 3.85 226 181 A 83 GLU HGy A 111 PRO HGx 1.0 . 3.85 227 182 A 71 GLU H A 71 GLU HGx 1.0 . 4.31 228 183 A 68 GLN HA A 71 GLU HGx 1.0 . 5.19 229 184 A 71 GLU HA A 71 GLU HGx 1.0 . 3.94 230 185 A 72 THR HA A 71 GLU HGx 1.0 . 4.45 231 186 A 97 GLU H A 97 GLU HGx 1.0 . 4.18 232 186 A 97 GLU HGy A 97 GLU H 1.0 . 4.18 233 187 A 92 THR HB A 97 GLU HGx 1.0 . 3.37 234 187 A 92 THR HB A 97 GLU HGy 1.0 . 3.37 235 188 A 97 GLU HBy A 97 GLU HGx 1.0 . 2.75 236 188 A 97 GLU HBy A 97 GLU HGy 1.0 . 2.75 237 189 A 68 GLN HA A 68 GLN HGx 1.0 . 3.53 238 189 A 68 GLN HA A 68 GLN HGy 1.0 . 3.53 239 190 A 74 GLN H A 74 GLN HGy 1.0 . 4.52 240 191 A 75 ASN HA A 74 GLN HGy 1.0 . 4.79 241 192 A 78 PRO HA A 74 GLN HGy 1.0 . 5.25 242 193 A 85 ILE HD1% A 74 GLN HGy 1.0 . 4.16 243 194 A 74 GLN H A 74 GLN HGx 1.0 . 4.75 244 195 A 74 GLN HGx A 75 ASN HA 1.0 . 5.24 245 196 A 74 GLN HGx A 74 GLN HA 1.0 . 4.10 246 197 A 85 ILE HD1% A 74 GLN HGx 1.0 . 4.13 247 198 A 65 VAL H A 65 VAL HB 1.0 . 3.91 248 199 A 110 PHE HA A 84 GLN HGy 1.0 . 4.70 249 200 A 84 GLN HGx A 81 HIS HBx 1.0 . 4.26 250 201 A 46 GLN HBy A 46 GLN HGx 1.0 . 2.85 251 201 A 46 GLN HBx A 46 GLN HGx 1.0 . 2.85 252 201 A 46 GLN HGy A 46 GLN HBx 1.0 . 2.85 253 201 A 46 GLN HBy A 46 GLN HGy 1.0 . 2.85 254 202 A 81 HIS HBx A 110 PHE HE% 1.0 . 5.02 255 203 A 95 VAL HB A 96 GLU H 1.0 . 4.17 256 204 A 99 VAL HB A 100 GLU H 1.0 . 3.89 257 205 A 58 ARG HBx A 58 ARG HGx 1.0 . 2.83 258 205 A 58 ARG HGy A 58 ARG HBx 1.0 . 2.83 259 206 A 84 GLN HBy A 108 PHE HBx 1.0 . 4.72 260 207 A 80 LEU HBx A 84 GLN HBy 1.0 . 4.69 261 208 A 74 GLN H A 73 VAL HB 1.0 . 4.11 262 209 A 54 ARG HBx A 54 ARG HDx 1.0 . 3.82 263 209 A 54 ARG HBy A 54 ARG HDx 1.0 . 3.82 264 209 A 54 ARG HDy A 54 ARG HBx 1.0 . 3.82 265 209 A 54 ARG HDy A 54 ARG HBy 1.0 . 3.82 266 210 A 54 ARG HBy A 54 ARG HGx 1.0 . 2.63 267 210 A 54 ARG HGy A 54 ARG HBx 1.0 . 2.63 268 210 A 54 ARG HGy A 54 ARG HBy 1.0 . 2.63 269 210 A 54 ARG HBx A 54 ARG HGx 1.0 . 2.63 270 211 A 106 ASP HBy A 107 GLU HBx 1.0 . 4.60 271 211 A 106 ASP HBx A 107 GLU HBx 1.0 . 4.60 272 211 A 107 GLU HBy A 106 ASP HBx 1.0 . 4.60 273 211 A 106 ASP HBy A 107 GLU HBy 1.0 . 4.60 274 212 A 104 ARG H A 104 ARG HBx 1.0 . 4.15 275 213 A 104 ARG HBx A 104 ARG HE 1.0 . 4.38 276 214 A 104 ARG HBx A 104 ARG HDx 1.0 . 3.68 277 214 A 104 ARG HDy A 104 ARG HBx 1.0 . 3.68 278 215 A 93 GLY HAx A 63 HIS HBx 1.0 . 4.55 279 216 A 85 ILE HG1y A 80 LEU HBx 1.0 . 4.11 280 217 A 85 ILE HG1y A 80 LEU HDx% 1.0 . 4.25 281 218 A 85 ILE HG1x A 80 LEU HBx 1.0 . 5.18 282 219 A 85 ILE HG1x A 80 LEU HDx% 1.0 . 4.24 283 220 A 101 ARG H A 100 GLU HBx 1.0 . 4.26 284 221 A 97 GLU HA A 100 GLU HBx 1.0 . 3.99 285 222 A 111 PRO HDx A 83 GLU HBy 1.0 . 4.67 286 223 A 85 ILE HD1% A 74 GLN HBy 1.0 . 4.20 287 224 A 101 ARG H A 100 GLU HBy 1.0 . 4.26 288 225 A 68 GLN HA A 71 GLU HBx 1.0 . 4.02 289 225 A 68 GLN HA A 71 GLU HBy 1.0 . 4.02 290 226 A 82 PRO HDy A 83 GLU HBx 1.0 . 4.20 291 227 A 111 PRO HDy A 83 GLU HBx 1.0 . 5.24 292 228 A 111 PRO HDx A 83 GLU HBx 1.0 . 5.36 293 229 A 89 LEU H A 89 LEU HDy% 1.0 . 4.45 294 230 A 69 MET HBx A 89 LEU HDy% 1.0 . 4.79 295 231 A 89 LEU HBy A 89 LEU HDy% 1.0 . 3.79 296 232 A 98 THR HG2% A 89 LEU HDy% 1.0 . 4.49 297 233 A 89 LEU HBx A 89 LEU HDy% 1.0 . 3.47 298 234 A 73 VAL HGx% A 89 LEU HDy% 1.0 . 4.77 299 235 A 73 VAL HGy% A 89 LEU HDy% 1.0 . 4.77 300 236 A 114 PHE HBy A 111 PRO HGy 1.0 . 4.20 301 237 A 68 GLN HBx A 69 MET H 1.0 . 4.29 302 238 A 83 GLU HA A 111 PRO HGx 1.0 . 4.93 303 239 A 110 PHE HA A 111 PRO HGx 1.0 . 4.74 304 240 A 114 PHE HBy A 111 PRO HGx 1.0 . 4.34 305 241 A 98 THR HG2% A 89 LEU HG 1.0 . 4.27 306 242 A 89 LEU HG A 73 VAL HGx% 1.0 . 5.50 307 243 A 89 LEU HG A 85 ILE HG2% 1.0 . 4.29 308 244 A 58 ARG HBy A 58 ARG HGx 1.0 . 2.83 309 244 A 58 ARG HGy A 58 ARG HBy 1.0 . 2.83 310 245 A 76 LEU HG A 76 LEU H 1.0 . 3.95 311 246 A 100 GLU HA A 103 LEU HG 1.0 . 3.82 312 247 A 101 ARG HA A 103 LEU HG 1.0 . 5.12 313 248 A 76 LEU H A 76 LEU HDy% 1.0 . 4.35 314 249 A 76 LEU HBy A 76 LEU HDy% 1.0 . 3.80 315 250 A 76 LEU HBx A 76 LEU HDy% 1.0 . 3.55 316 251 A 72 THR HG2% A 76 LEU HDy% 1.0 . 3.68 317 252 A 100 GLU H A 99 VAL HGx% 1.0 . 4.62 318 253 A 98 THR HB A 99 VAL HGx% 1.0 . 5.50 319 254 A 99 VAL HA A 99 VAL HGx% 1.0 . 3.32 320 255 A 73 VAL HA A 99 VAL HGx% 1.0 . 4.98 321 256 A 76 LEU HBy A 99 VAL HGx% 1.0 . 4.70 322 257 A 76 LEU HBx A 99 VAL HGx% 1.0 . 3.95 323 258 A 77 ALA HB% A 99 VAL HGx% 1.0 . 4.61 324 259 A 80 LEU HDx% A 80 LEU HA 1.0 . 4.69 325 260 A 102 TYR HBy A 80 LEU HDx% 1.0 . 4.36 326 261 A 80 LEU HDx% A 102 TYR HBx 1.0 . 4.29 327 262 A 80 LEU HDx% A 80 LEU HBy 1.0 . 3.61 328 263 A 80 LEU HDx% A 77 ALA HB% 1.0 . 3.22 329 264 A 54 ARG HBy A 53 LEU HDx% 1.0 . 4.89 330 264 A 53 LEU HDx% A 54 ARG HBx 1.0 . 4.89 331 265 A 73 VAL HA A 73 VAL HGx% 1.0 . 4.11 332 266 A 74 GLN HBx A 73 VAL HGx% 1.0 . 5.50 333 267 A 85 ILE HG1y A 73 VAL HGx% 1.0 . 5.50 334 268 A 98 THR HG2% A 73 VAL HGx% 1.0 . 3.25 335 269 A 85 ILE HG2% A 73 VAL HGx% 1.0 . 3.10 336 270 A 89 LEU HDx% A 73 VAL HGx% 1.0 . 4.77 337 271 A 65 VAL HA A 65 VAL HGx% 1.0 . 3.39 338 272 A 89 LEU HA A 65 VAL HGx% 1.0 . 5.24 339 273 A 86 ARG HA A 65 VAL HGx% 1.0 . 4.36 340 274 A 69 MET HE% A 65 VAL HGx% 1.0 . 4.81 341 275 A 89 LEU HBy A 65 VAL HGx% 1.0 . 3.40 342 276 A 89 LEU HG A 65 VAL HGx% 1.0 . 4.93 343 277 A 86 ARG HGy A 65 VAL HGx% 1.0 . 4.46 344 277 A 65 VAL HGx% A 86 ARG HGx 1.0 . 4.46 345 278 A 89 LEU HBx A 65 VAL HGx% 1.0 . 3.64 346 279 A 54 ARG HBy A 53 LEU HDy% 1.0 . 4.89 347 279 A 53 LEU HDy% A 54 ARG HBx 1.0 . 4.89 348 280 A 67 THR HA A 70 VAL HGx% 1.0 . 4.70 349 281 A 70 VAL HA A 70 VAL HGx% 1.0 . 3.28 350 282 A 76 LEU HBx A 76 LEU HDx% 1.0 . 3.55 351 283 A 72 THR HG2% A 76 LEU HDx% 1.0 . 3.68 352 284 A 72 THR HB A 95 VAL HGx% 1.0 . 4.14 353 285 A 69 MET HA A 89 LEU HDx% 1.0 . 5.33 354 286 A 69 MET HBy A 89 LEU HDx% 1.0 . 4.79 355 287 A 89 LEU HDx% A 69 MET HBx 1.0 . 4.79 356 288 A 89 LEU HBy A 89 LEU HDx% 1.0 . 3.79 357 289 A 89 LEU HBx A 89 LEU HDx% 1.0 . 3.47 358 290 A 85 ILE HG2% A 89 LEU HDx% 1.0 . 3.14 359 291 A 89 LEU HDx% A 73 VAL HGy% 1.0 . 4.77 360 292 A 80 LEU HA A 80 LEU HDy% 1.0 . 3.07 361 293 A 108 PHE HBy A 80 LEU HDy% 1.0 . 3.75 362 294 A 102 TYR HBx A 80 LEU HDy% 1.0 . 4.47 363 295 A 84 GLN HBy A 80 LEU HDy% 1.0 . 4.18 364 296 A 84 GLN HBx A 80 LEU HDy% 1.0 . 4.38 365 297 A 80 LEU HBy A 80 LEU HDy% 1.0 . 3.87 366 298 A 84 GLN HGy A 80 LEU HDy% 1.0 . 5.50 367 299 A 80 LEU HBx A 80 LEU HDy% 1.0 . 3.49 368 300 A 77 ALA HB% A 80 LEU HDy% 1.0 . 4.26 369 301 A 67 THR HG2% A 71 GLU HGy 1.0 . 3.88 370 302 A 66 THR H A 65 VAL HGy% 1.0 . 4.46 371 303 A 65 VAL HA A 65 VAL HGy% 1.0 . 3.39 372 304 A 86 ARG HA A 65 VAL HGy% 1.0 . 4.36 373 305 A 89 LEU HBy A 65 VAL HGy% 1.0 . 3.40 374 306 A 89 LEU HG A 65 VAL HGy% 1.0 . 4.93 375 307 A 86 ARG HGy A 65 VAL HGy% 1.0 . 4.46 376 307 A 65 VAL HGy% A 86 ARG HGx 1.0 . 4.46 377 308 A 89 LEU HBx A 65 VAL HGy% 1.0 . 3.64 378 309 A 74 GLN H A 73 VAL HGy% 1.0 . 4.34 379 310 A 108 PHE HE% A 73 VAL HGy% 1.0 . 5.50 380 311 A 73 VAL HA A 73 VAL HGy% 1.0 . 4.11 381 312 A 74 GLN HBx A 73 VAL HGy% 1.0 . 5.50 382 313 A 89 LEU HG A 73 VAL HGy% 1.0 . 5.50 383 314 A 85 ILE HG1y A 73 VAL HGy% 1.0 . 5.50 384 315 A 85 ILE HG2% A 73 VAL HGy% 1.0 . 3.10 385 316 A 103 LEU H A 103 LEU HDx% 1.0 . 4.06 386 316 A 103 LEU H A 103 LEU HDy% 1.0 . 4.06 387 317 A 102 TYR HD% A 103 LEU HDx% 1.0 . 3.64 388 317 A 103 LEU HDy% A 102 TYR HD% 1.0 . 3.64 389 318 A 103 LEU HA A 103 LEU HDx% 1.0 . 3.44 390 318 A 103 LEU HDy% A 103 LEU HA 1.0 . 3.44 391 319 A 103 LEU HDx% A 104 ARG HDx 1.0 . 4.74 392 319 A 103 LEU HDy% A 104 ARG HDx 1.0 . 4.74 393 319 A 104 ARG HDy A 103 LEU HDx% 1.0 . 4.74 394 319 A 103 LEU HDy% A 104 ARG HDy 1.0 . 4.74 395 320 A 104 ARG HBy A 103 LEU HDx% 1.0 . 3.03 396 320 A 103 LEU HDy% A 104 ARG HBy 1.0 . 3.03 397 321 A 104 ARG HBx A 103 LEU HDx% 1.0 . 4.54 398 321 A 103 LEU HDy% A 104 ARG HBx 1.0 . 4.54 399 322 A 103 LEU HBx A 103 LEU HDx% 1.0 . 3.32 400 322 A 103 LEU HDy% A 103 LEU HBx 1.0 . 3.32 401 323 A 66 THR H A 66 THR HG2% 1.0 . 3.44 402 324 A 66 THR HG2% A 66 THR HA 1.0 . 3.61 403 325 A 65 VAL HA A 66 THR HG2% 1.0 . 4.46 404 326 A 66 THR HG2% A 68 GLN HGx 1.0 . 4.31 405 326 A 68 GLN HGy A 66 THR HG2% 1.0 . 4.31 406 327 A 70 VAL HB A 67 THR HG2% 1.0 . 5.26 407 328 A 66 THR HG2% A 64 PRO HBy 1.0 . 5.13 408 329 A 72 THR HG2% A 96 GLU H 1.0 . 5.24 409 330 A 49 THR H A 49 THR HG2% 1.0 . 4.09 410 331 A 48 SER HA A 49 THR HG2% 1.0 . 4.50 411 332 A 72 THR HG2% A 73 VAL HA 1.0 . 3.96 412 333 A 72 THR HG2% A 75 ASN HBx 1.0 . 4.47 413 334 A 72 THR HG2% A 95 VAL HB 1.0 . 4.00 414 335 A 72 THR HG2% A 76 LEU HG 1.0 . 3.90 415 336 A 98 THR HG2% A 89 LEU H 1.0 . 4.53 416 337 A 98 THR HA A 98 THR HG2% 1.0 . 3.62 417 338 A 99 VAL HA A 98 THR HG2% 1.0 . 4.19 418 339 A 98 THR HG2% A 69 MET HE% 1.0 . 5.50 419 340 A 98 THR HG2% A 99 VAL HB 1.0 . 5.50 420 341 A 98 THR HG2% A 73 VAL HB 1.0 . 4.36 421 342 A 98 THR HG2% A 101 ARG HGx 1.0 . 4.25 422 343 A 98 THR HG2% A 89 LEU HDx% 1.0 . 4.49 423 344 A 98 THR HG2% A 73 VAL HGy% 1.0 . 3.25 424 345 A 92 THR HA A 92 THR HG2% 1.0 . 3.17 425 346 A 98 THR HA A 92 THR HG2% 1.0 . 4.06 426 347 A 92 THR HG2% A 101 ARG HDy 1.0 . 4.56 427 348 A 92 THR HG2% A 97 GLU HGx 1.0 . 3.48 428 348 A 97 GLU HGy A 92 THR HG2% 1.0 . 3.48 429 349 A 92 THR HG2% A 101 ARG HGy 1.0 . 4.11 430 350 A 89 LEU HG A 92 THR HG2% 1.0 . 5.50 431 351 A 92 THR HG2% A 101 ARG HBx 1.0 . 5.50 432 352 A 92 THR HG2% A 97 GLU HBx 1.0 . 4.06 433 353 A 98 THR HG2% A 92 THR HG2% 1.0 . 3.66 434 354 A 95 VAL H A 95 VAL HGy% 1.0 . 4.24 435 355 A 72 THR HB A 95 VAL HGy% 1.0 . 4.14 436 356 A 72 THR HG2% A 95 VAL HGy% 1.0 . 3.16 437 357 A 71 GLU H A 70 VAL HGy% 1.0 . 4.11 438 358 A 67 THR HA A 70 VAL HGy% 1.0 . 4.70 439 359 A 86 ARG HA A 70 VAL HGy% 1.0 . 4.40 440 360 A 70 VAL HA A 70 VAL HGy% 1.0 . 3.28 441 361 A 71 GLU HGy A 70 VAL HGy% 1.0 . 5.50 442 362 A 85 ILE HG2% A 73 VAL H 1.0 . 4.38 443 363 A 82 PRO HA A 85 ILE HG2% 1.0 . 5.01 444 364 A 86 ARG HA A 85 ILE HG2% 1.0 . 4.36 445 365 A 74 GLN HA A 85 ILE HG2% 1.0 . 4.71 446 366 A 70 VAL HA A 85 ILE HG2% 1.0 . 3.02 447 367 A 70 VAL HB A 85 ILE HG2% 1.0 . 4.26 448 368 A 73 VAL HB A 85 ILE HG2% 1.0 . 3.06 449 369 A 85 ILE HG1y A 85 ILE HG2% 1.0 . 3.94 450 370 A 98 THR HG2% A 85 ILE HG2% 1.0 . 3.73 451 371 A 85 ILE HG2% A 89 LEU HDy% 1.0 . 3.14 452 372 A 85 ILE HD1% A 85 ILE HG2% 1.0 . 2.90 453 373 A 85 ILE HG1x A 85 ILE HG2% 1.0 . 3.61 454 374 A 74 GLN HA A 77 ALA HB% 1.0 . 4.32 455 375 A 73 VAL HA A 77 ALA HB% 1.0 . 5.33 456 376 A 77 ALA HB% A 79 ASN HBx 1.0 . 5.30 457 376 A 79 ASN HBy A 77 ALA HB% 1.0 . 5.30 458 377 A 80 LEU HBy A 77 ALA HB% 1.0 . 4.22 459 378 A 80 LEU HG A 77 ALA HB% 1.0 . 3.75 460 379 A 80 LEU HBx A 77 ALA HB% 1.0 . 4.18 461 380 A 85 ILE HG1x A 77 ALA HB% 1.0 . 4.90 462 381 A 69 MET HE% A 66 THR H 1.0 . 4.11 463 382 A 69 MET HE% A 94 SER HA 1.0 . 4.24 464 383 A 65 VAL HA A 69 MET HE% 1.0 . 3.68 465 384 A 69 MET HA A 69 MET HE% 1.0 . 4.44 466 385 A 69 MET HE% A 93 GLY HAy 1.0 . 4.68 467 386 A 95 VAL HA A 69 MET HE% 1.0 . 4.08 468 387 A 69 MET HE% A 93 GLY HAx 1.0 . 4.68 469 388 A 69 MET HE% A 63 HIS HBy 1.0 . 5.50 470 389 A 69 MET HE% A 63 HIS HBx 1.0 . 5.50 471 390 A 69 MET HE% A 69 MET HGy 1.0 . 3.69 472 391 A 69 MET HE% A 69 MET HGx 1.0 . 3.69 473 392 A 65 VAL HB A 69 MET HE% 1.0 . 4.14 474 393 A 89 LEU HBy A 69 MET HE% 1.0 . 4.65 475 394 A 95 VAL HB A 69 MET HE% 1.0 . 4.78 476 395 A 89 LEU HG A 69 MET HE% 1.0 . 4.48 477 396 A 89 LEU HBx A 69 MET HE% 1.0 . 3.42 478 397 A 69 MET HE% A 65 VAL HGy% 1.0 . 4.81 479 398 A 69 MET HE% A 89 LEU HDx% 1.0 . 3.61 480 399 A 69 MET HE% A 89 LEU HDy% 1.0 . 3.61 481 400 A 85 ILE HD1% A 80 LEU H 1.0 . 5.29 482 401 A 70 VAL HA A 85 ILE HD1% 1.0 . 4.21 483 402 A 85 ILE HD1% A 85 ILE HA 1.0 . 4.61 484 403 A 85 ILE HD1% A 82 PRO HBx 1.0 . 4.63 485 403 A 85 ILE HD1% A 82 PRO HBy 1.0 . 4.63 486 404 A 85 ILE HD1% A 73 VAL HB 1.0 . 4.32 487 405 A 85 ILE HD1% A 74 GLN HBx 1.0 . 3.34 488 406 A 85 ILE HD1% A 77 ALA HB% 1.0 . 4.17 489 407 A 85 ILE HD1% A 80 LEU HDx% 1.0 . 3.90 490 408 A 87 TYR HA A 90 GLU HBy 1.0 . 3.93 491 409 A 87 TYR HA A 86 ARG HBx 1.0 . 5.27 492 409 A 86 ARG HBy A 87 TYR HA 1.0 . 5.27 493 410 A 111 PRO HBx A 87 TYR HA 1.0 . 5.50 494 411 A 76 LEU HG A 75 ASN HBy 1.0 . 4.95 495 412 A 76 LEU HG A 75 ASN HBx 1.0 . 4.76 496 413 A 110 PHE HA A 84 GLN HGx 1.0 . 4.92 497 414 A 110 PHE HBy A 111 PRO HDy 1.0 . 4.13 498 415 A 110 PHE HBy A 114 PHE HBy 1.0 . 4.77 499 416 A 84 GLN HA A 111 PRO HDx 1.0 . 4.79 500 417 A 63 HIS HA A 62 GLY HAy 1.0 . 4.71 501 418 A 69 MET HBy A 89 LEU HDy% 1.0 . 4.79 502 419 A 71 GLU HGy A 70 VAL HGx% 1.0 . 5.50 503 420 A 67 THR HG2% A 71 GLU HGx 1.0 . 4.96 504 421 A 71 GLU HGx A 70 VAL HGx% 1.0 . 5.50 505 422 A 71 GLU HGx A 70 VAL HGy% 1.0 . 5.50 506 423 A 71 GLU HA A 74 GLN HA 1.0 . 5.50 507 424 A 71 GLU HA A 74 GLN HGy 1.0 . 4.94 508 425 A 108 PHE HBx A 80 LEU HDy% 1.0 . 4.30 509 426 A 84 GLN HBx A 108 PHE HBx 1.0 . 3.96 510 427 A 84 GLN HGy A 108 PHE HBx 1.0 . 4.94 511 428 A 103 LEU HA A 102 TYR HE% 1.0 . 4.94 512 429 A 76 LEU HG A 99 VAL HGx% 1.0 . 5.50 513 430 A 76 LEU HG A 99 VAL HGy% 1.0 . 5.50 514 431 A 77 ALA HA A 78 PRO HDy 1.0 . 3.00 515 432 A 81 HIS HA A 82 PRO HDy 1.0 . 3.14 516 433 A 77 ALA HB% A 78 PRO HDy 1.0 . 4.46 517 434 A 78 PRO HDx A 77 ALA HB% 1.0 . 4.89 518 435 A 78 PRO HDy A 77 ALA H 1.0 . 4.68 519 436 A 78 PRO HGy A 79 ASN HBx 1.0 . 5.05 520 436 A 78 PRO HGx A 79 ASN HBx 1.0 . 5.05 521 436 A 79 ASN HBy A 78 PRO HGx 1.0 . 5.05 522 436 A 79 ASN HBy A 78 PRO HGy 1.0 . 5.05 523 437 A 80 LEU HDx% A 80 LEU HBx 1.0 . 3.56 524 438 A 80 LEU HG A 102 TYR HD% 1.0 . 4.70 525 439 A 80 LEU HG A 102 TYR HE% 1.0 . 4.99 526 440 A 81 HIS HBx A 84 GLN HBy 1.0 . 4.82 527 441 A 84 GLN HBy A 81 HIS HBy 1.0 . 5.14 528 442 A 84 GLN HGx A 81 HIS HBy 1.0 . 4.89 529 443 A 81 HIS HBx A 110 PHE HD% 1.0 . 5.14 530 444 A 81 HIS HBy A 110 PHE HD% 1.0 . 5.50 531 445 A 90 GLU H A 90 GLU HBx 1.0 . 4.00 532 446 A 101 ARG H A 101 ARG HBy 1.0 . 3.59 533 447 A 98 THR HA A 101 ARG HGy 1.0 . 4.30 534 448 A 98 THR HA A 101 ARG HGx 1.0 . 4.06 535 449 A 83 GLU HA A 86 ARG HGx 1.0 . 5.50 536 449 A 86 ARG HGy A 83 GLU HA 1.0 . 5.50 537 450 A 83 GLU HGx A 86 ARG HDx 1.0 . 5.50 538 450 A 83 GLU HGy A 86 ARG HDx 1.0 . 5.50 539 450 A 86 ARG HDy A 83 GLU HGx 1.0 . 5.50 540 450 A 83 GLU HGy A 86 ARG HDy 1.0 . 5.50 541 451 A 111 PRO HDx A 83 GLU HGx 1.0 . 5.50 542 451 A 83 GLU HGy A 111 PRO HDx 1.0 . 5.50 543 452 A 114 PHE HBy A 83 GLU HGx 1.0 . 5.01 544 452 A 83 GLU HGy A 114 PHE HBy 1.0 . 5.01 545 453 A 80 LEU HDx% A 85 ILE HG2% 1.0 . 4.56 546 454 A 86 ARG HBy A 70 VAL HGx% 1.0 . 4.50 547 454 A 70 VAL HGx% A 86 ARG HBx 1.0 . 4.50 548 455 A 86 ARG HBy A 70 VAL HGy% 1.0 . 4.50 549 455 A 70 VAL HGy% A 86 ARG HBx 1.0 . 4.50 550 456 A 83 GLU HA A 86 ARG HBx 1.0 . 3.78 551 456 A 83 GLU HA A 86 ARG HBy 1.0 . 3.78 552 457 A 87 TYR HBx A 111 PRO HGx 1.0 . 5.50 553 458 A 84 GLN HA A 87 TYR HBy 1.0 . 4.65 554 459 A 98 THR HG2% A 88 SER HA 1.0 . 4.94 555 460 A 98 THR HG2% A 88 SER HBy 1.0 . 4.35 556 461 A 87 TYR HA A 90 GLU HBx 1.0 . 4.54 557 462 A 72 THR HG2% A 95 VAL HGx% 1.0 . 3.16 558 463 A 94 SER HA A 96 GLU HBx 1.0 . 5.50 559 463 A 94 SER HA A 96 GLU HBy 1.0 . 5.50 560 464 A 92 THR HB A 97 GLU HBx 1.0 . 3.43 561 465 A 99 VAL HA A 99 VAL HGy% 1.0 . 3.32 562 466 A 73 VAL HA A 99 VAL HGy% 1.0 . 4.98 563 467 A 98 THR HB A 99 VAL HGy% 1.0 . 5.50 564 468 A 76 LEU HBx A 99 VAL HGy% 1.0 . 3.95 565 469 A 77 ALA HB% A 99 VAL HGy% 1.0 . 4.61 566 470 A 100 GLU HA A 104 ARG H 1.0 . 5.09 567 471 A 100 GLU HA A 100 GLU HGx 1.0 . 4.09 568 472 A 102 TYR H A 101 ARG HDy 1.0 . 5.50 569 473 A 98 THR HA A 101 ARG HDy 1.0 . 4.98 570 474 A 99 VAL HA A 102 TYR HBx 1.0 . 4.10 571 475 A 102 TYR HBy A 101 ARG HGy 1.0 . 4.83 572 476 A 80 LEU HG A 102 TYR HBx 1.0 . 5.21 573 477 A 102 TYR HBy A 77 ALA HB% 1.0 . 5.08 574 478 A 77 ALA HB% A 102 TYR HBx 1.0 . 4.87 575 479 A 106 ASP HA A 104 ARG HGx 1.0 . 4.92 576 480 A 104 ARG HE A 104 ARG HGy 1.0 . 4.03 577 481 A 106 ASP HA A 105 GLY HAx 1.0 . 4.97 578 482 A 108 PHE HZ A 106 ASP HBx 1.0 . 5.50 579 482 A 106 ASP HBy A 108 PHE HZ 1.0 . 5.50 580 483 A 101 ARG HGx A 106 ASP HBx 1.0 . 5.50 581 483 A 106 ASP HBy A 101 ARG HGx 1.0 . 5.50 582 484 A 106 ASP HBy A 104 ARG HGx 1.0 . 5.50 583 484 A 104 ARG HGx A 106 ASP HBx 1.0 . 5.50 584 485 A 84 GLN HGy A 108 PHE HBy 1.0 . 5.50 585 486 A 111 PRO HGx A 87 TYR HD% 1.0 . 5.50 586 487 A 111 PRO HDx A 114 PHE HBx 1.0 . 5.50 587 488 A 114 PHE HBx A 111 PRO HGy 1.0 . 4.95 588 489 A 114 PHE HBx A 115 GLU HGx 1.0 . 4.98 589 489 A 115 GLU HGy A 114 PHE HBx 1.0 . 4.98 590 490 A 114 PHE HD% A 115 GLU HGx 1.0 . 5.12 591 490 A 115 GLU HGy A 114 PHE HD% 1.0 . 5.12 592 491 A 110 PHE HBx A 114 PHE HD% 1.0 . 5.36 593 492 A 85 ILE HD1% A 78 PRO HA 1.0 . 5.50 594 493 A 85 ILE HD1% A 80 LEU HA 1.0 . 5.50 595 494 A 85 ILE HD1% A 83 GLU HA 1.0 . 5.50 596 495 A 85 ILE HD1% A 73 VAL H 1.0 . 5.50 597 496 A 98 THR HG2% A 80 LEU HDx% 1.0 . 4.46 598 497 A 80 LEU HDx% A 85 ILE HB 1.0 . 5.50 599 498 A 110 PHE HA A 87 TYR HBx 1.0 . 4.68 600 499 A 81 HIS HE1 A 83 GLU H 1.0 . 3.52 601 500 A 110 PHE HE% A 81 HIS HE1 1.0 . 4.16 602 501 A 81 HIS HE1 A 83 GLU HGx 1.0 . 3.54 603 501 A 83 GLU HGy A 81 HIS HE1 1.0 . 3.54 604 502 A 83 GLU HBy A 81 HIS HE1 1.0 . 3.75 605 503 A 83 GLU HBx A 81 HIS HE1 1.0 . 3.75 606 504 A 87 TYR HD% A 87 TYR H 1.0 . 4.15 607 505 A 87 TYR HA A 87 TYR HD% 1.0 . 2.70 608 506 A 88 SER HA A 87 TYR HD% 1.0 . 4.76 609 507 A 110 PHE HA A 87 TYR HD% 1.0 . 4.99 610 508 A 87 TYR HD% A 109 SER HB2 1.0 . 4.13 611 509 A 87 TYR HD% A 109 SER HB3 1.0 . 4.13 612 510 A 111 PRO HA A 87 TYR HD% 1.0 . 3.63 613 511 A 90 GLU HBx A 87 TYR HD% 1.0 . 4.64 614 512 A 111 PRO HBx A 87 TYR HD% 1.0 . 3.60 615 513 A 108 PHE HE% A 102 TYR HD% 1.0 . 4.35 616 514 A 102 TYR HD% A 102 TYR HA 1.0 . 3.22 617 515 A 103 LEU HA A 102 TYR HD% 1.0 . 3.88 618 516 A 99 VAL HA A 102 TYR HD% 1.0 . 3.98 619 517 A 80 LEU HDy% A 102 TYR HD% 1.0 . 3.33 620 518 A 77 ALA HB% A 102 TYR HD% 1.0 . 3.53 621 519 A 80 LEU HDx% A 102 TYR HD% 1.0 . 3.25 622 520 A 108 PHE HD% A 108 PHE HZ 1.0 . 3.84 623 521 A 108 PHE HD% A 108 PHE HA 1.0 . 4.01 624 522 A 108 PHE HD% A 102 TYR HA 1.0 . 3.99 625 523 A 108 PHE HD% A 107 GLU HA 1.0 . 3.95 626 524 A 108 PHE HD% A 88 SER HBy 1.0 . 4.43 627 525 A 108 PHE HD% A 84 GLN HBx 1.0 . 3.85 628 526 A 108 PHE HD% A 80 LEU HDy% 1.0 . 3.83 629 527 A 80 LEU HDx% A 108 PHE HD% 1.0 . 3.99 630 528 A 114 PHE HD% A 114 PHE HA 1.0 . 3.80 631 529 A 114 PHE HD% A 83 GLU HGx 1.0 . 4.23 632 529 A 83 GLU HGy A 114 PHE HD% 1.0 . 4.23 633 530 A 110 PHE HD% A 84 GLN H 1.0 . 4.51 634 531 A 110 PHE HA A 110 PHE HD% 1.0 . 3.86 635 532 A 111 PRO HDy A 110 PHE HD% 1.0 . 3.48 636 533 A 114 PHE HBx A 110 PHE HD% 1.0 . 3.96 637 534 A 83 GLU HBy A 110 PHE HD% 1.0 . 3.79 638 535 A 83 GLU HBx A 110 PHE HD% 1.0 . 4.22 639 536 A 108 PHE HE% A 102 TYR HA 1.0 . 3.18 640 537 A 108 PHE HE% A 88 SER HBy 1.0 . 4.21 641 538 A 108 PHE HE% A 88 SER HBx 1.0 . 4.21 642 539 A 98 THR HG2% A 108 PHE HE% 1.0 . 3.38 643 540 A 108 PHE HZ A 102 TYR HA 1.0 . 4.17 644 541 A 102 TYR HBx A 108 PHE HZ 1.0 . 3.68 645 542 A 101 ARG HBx A 108 PHE HZ 1.0 . 4.36 646 543 A 98 THR HG2% A 108 PHE HZ 1.0 . 3.80 647 544 A 110 PHE HE% A 81 HIS HD2 1.0 . 4.70 648 545 A 81 HIS HD2 A 110 PHE HZ 1.0 . 4.84 649 546 A 81 HIS HA A 81 HIS HD2 1.0 . 3.47 650 547 A 81 HIS HBy A 81 HIS HD2 1.0 . 3.30 651 548 A 81 HIS HBx A 81 HIS HD2 1.0 . 3.93 652 549 A 77 ALA HA A 102 TYR HE% 1.0 . 3.17 653 550 A 102 TYR HE% A 78 PRO HDy 1.0 . 4.14 654 551 A 102 TYR HE% A 79 ASN HBx 1.0 . 3.24 655 551 A 79 ASN HBy A 102 TYR HE% 1.0 . 3.24 656 552 A 80 LEU HDy% A 102 TYR HE% 1.0 . 3.56 657 553 A 77 ALA HB% A 102 TYR HE% 1.0 . 3.44 658 554 A 80 LEU HDx% A 102 TYR HE% 1.0 . 3.70 659 555 A 87 TYR HE% A 91 ASN HD2y 1.0 . 3.92 660 556 A 87 TYR HE% A 109 SER HB2 1.0 . 4.04 661 557 A 87 TYR HE% A 109 SER HB3 1.0 . 4.04 662 558 A 87 TYR HE% A 111 PRO HBx 1.0 . 5.50 663 559 A 98 THR HA A 108 PHE HZ 1.0 . 4.37 664 560 A 102 TYR HBy A 108 PHE HZ 1.0 . 4.27 665 561 A 110 PHE HD% A 81 HIS HE1 1.0 . 4.80 666 562 A 84 GLN HGy A 110 PHE HD% 1.0 . 4.39 667 563 A 84 GLN HGx A 110 PHE HD% 1.0 . 4.22 668 564 A 111 PRO HDx A 110 PHE HD% 1.0 . 4.20 669 565 A 109 SER HA A 110 PHE HD% 1.0 . 4.61 670 566 A 85 ILE HA A 108 PHE HD% 1.0 . 4.38 671 567 A 98 THR HG2% A 108 PHE HD% 1.0 . 4.28 672 568 A 63 HIS HD2 A 93 GLY HAy 1.0 . 4.71 673 569 A 63 HIS HD2 A 93 GLY HAx 1.0 . 4.71 674 570 A 90 GLU HA A 63 HIS HD2 1.0 . 5.50 675 571 A 92 THR HA A 63 HIS HD2 1.0 . 5.50 676 572 A 81 HIS HD2 A 81 HIS H 1.0 . 5.05 677 573 A 82 PRO HDx A 81 HIS HD2 1.0 . 4.55 678 574 A 81 HIS HD2 A 82 PRO HGx 1.0 . 5.25 679 574 A 81 HIS HD2 A 82 PRO HGy 1.0 . 5.25 680 575 A 83 GLU HA A 81 HIS HE1 1.0 . 4.95 681 576 A 82 PRO HDy A 81 HIS HE1 1.0 . 5.23 682 577 A 90 GLU HBy A 87 TYR HD% 1.0 . 4.24 683 578 A 87 TYR HD% A 91 ASN HD2y 1.0 . 4.38 684 579 A 87 TYR HD% A 86 ARG HE 1.0 . 4.72 685 580 A 87 TYR HD% A 109 SER H 1.0 . 4.67 686 581 A 90 GLU H A 87 TYR HD% 1.0 . 5.25 687 582 A 80 LEU HBy A 102 TYR HD% 1.0 . 5.50 688 583 A 103 LEU HBx A 102 TYR HD% 1.0 . 5.50 689 584 A 102 TYR HD% A 108 PHE HZ 1.0 . 4.50 690 585 A 76 LEU HBx A 102 TYR HE% 1.0 . 5.11 691 586 A 80 LEU HBy A 102 TYR HE% 1.0 . 5.41 692 587 A 76 LEU HBy A 102 TYR HE% 1.0 . 5.32 693 588 A 103 LEU H A 102 TYR HE% 1.0 . 4.40 694 589 A 108 PHE HD% A 102 TYR HD% 1.0 . 4.87 695 590 A 108 PHE HD% A 84 GLN HBy 1.0 . 4.40 696 591 A 108 PHE HD% A 106 ASP HBx 1.0 . 4.47 697 591 A 108 PHE HD% A 106 ASP HBy 1.0 . 4.47 698 592 A 108 PHE HD% A 107 GLU HBx 1.0 . 4.74 699 592 A 108 PHE HD% A 107 GLU HBy 1.0 . 4.74 700 593 A 108 PHE HD% A 109 SER H 1.0 . 5.12 701 594 A 108 PHE HD% A 107 GLU H 1.0 . 5.12 702 595 A 101 ARG HA A 108 PHE HE% 1.0 . 5.12 703 596 A 85 ILE HA A 108 PHE HE% 1.0 . 4.82 704 597 A 102 TYR HBy A 108 PHE HE% 1.0 . 5.08 705 598 A 102 TYR HBx A 108 PHE HE% 1.0 . 4.25 706 599 A 108 PHE HE% A 106 ASP HBx 1.0 . 4.25 707 599 A 106 ASP HBy A 108 PHE HE% 1.0 . 4.25 708 600 A 101 ARG HBy A 108 PHE HE% 1.0 . 5.17 709 601 A 101 ARG HBx A 108 PHE HE% 1.0 . 4.44 710 602 A 108 PHE HE% A 73 VAL HGx% 1.0 . 5.50 711 603 A 92 THR HG2% A 108 PHE HE% 1.0 . 5.50 712 604 A 80 LEU HDy% A 108 PHE HE% 1.0 . 4.51 713 605 A 80 LEU HDx% A 108 PHE HE% 1.0 . 4.26 714 606 A 81 HIS HE1 A 114 PHE HZ 1.0 . 4.38 715 607 A 81 HIS HBy A 110 PHE HZ 1.0 . 3.75 716 608 A 81 HIS HBx A 110 PHE HZ 1.0 . 3.91 717 609 A 84 GLN HGx A 110 PHE HZ 1.0 . 4.57 718 610 A 110 PHE HD% A 84 GLN HE2x 1.0 . 4.74 719 611 A 110 PHE HD% A 83 GLU HGx 1.0 . 4.24 720 611 A 83 GLU HGy A 110 PHE HD% 1.0 . 4.24 721 612 A 115 GLU HA A 114 PHE HD% 1.0 . 4.64 722 613 A 110 PHE HE% A 81 HIS HBy 1.0 . 5.30 723 614 A 111 PRO HDy A 114 PHE HD% 1.0 . 5.50 724 615 A 110 PHE HBy A 114 PHE HD% 1.0 . 5.14 725 616 A 83 GLU HBy A 110 PHE HE% 1.0 . 4.60 726 617 A 84 GLN HBx A 110 PHE HE% 1.0 . 5.24 727 618 A 81 HIS HE1 A 114 PHE HE% 1.0 . 4.53 728 619 A 114 PHE HE% A 83 GLU HGx 1.0 . 4.31 729 619 A 83 GLU HGy A 114 PHE HE% 1.0 . 4.31 730 620 A 99 VAL HA A 108 PHE HZ 1.0 . 5.30 731 621 A 101 ARG HDx A 108 PHE HZ 1.0 . 5.00 732 622 A 101 ARG HGx A 108 PHE HZ 1.0 . 5.23 733 623 A 80 LEU HDx% A 108 PHE HZ 1.0 . 4.78 734 624 A 110 PHE HZ A 81 HIS H 1.0 . 5.50 735 625 A 95 VAL H A 94 SER HA 1.0 . 2.48 736 626 A 95 VAL H A 94 SER HBy 1.0 . 4.43 737 627 A 95 VAL H A 94 SER HBx 1.0 . 4.43 738 628 A 69 MET HE% A 95 VAL H 1.0 . 3.99 739 629 A 95 VAL HB A 95 VAL H 1.0 . 2.89 740 630 A 95 VAL H A 95 VAL HGx% 1.0 . 4.24 741 631 A 114 PHE H A 115 GLU H 1.0 . 3.36 742 632 A 114 PHE HD% A 115 GLU H 1.0 . 3.84 743 633 A 114 PHE HBy A 115 GLU H 1.0 . 4.01 744 634 A 114 PHE HBx A 115 GLU H 1.0 . 3.76 745 635 A 115 GLU H A 115 GLU HGx 1.0 . 3.66 746 635 A 115 GLU HGy A 115 GLU H 1.0 . 3.66 747 636 A 115 GLU H A 115 GLU HBy 1.0 . 3.94 748 637 A 115 GLU H A 115 GLU HBx 1.0 . 3.94 749 638 A 107 GLU H A 108 PHE H 1.0 . 4.65 750 639 A 84 GLN HE2x A 108 PHE H 1.0 . 4.67 751 640 A 108 PHE HD% A 108 PHE H 1.0 . 3.67 752 641 A 108 PHE H A 84 GLN HE2y 1.0 . 4.63 753 642 A 107 GLU HA A 108 PHE H 1.0 . 2.67 754 643 A 108 PHE HBy A 108 PHE H 1.0 . 3.15 755 644 A 108 PHE HBx A 108 PHE H 1.0 . 3.79 756 645 A 108 PHE H A 107 GLU HGy 1.0 . 5.08 757 646 A 108 PHE H A 107 GLU HGx 1.0 . 5.08 758 647 A 108 PHE H A 107 GLU HBx 1.0 . 3.62 759 647 A 107 GLU HBy A 108 PHE H 1.0 . 3.62 760 648 A 80 LEU HDy% A 108 PHE H 1.0 . 5.50 761 649 A 52 ALA H A 52 ALA HB% 1.0 . 4.05 762 650 A 84 GLN H A 81 HIS H 1.0 . 4.55 763 651 A 81 HIS H A 74 GLN HE2x 1.0 . 4.92 764 652 A 80 LEU HA A 81 HIS H 1.0 . 2.56 765 653 A 82 PRO HDy A 81 HIS H 1.0 . 4.83 766 654 A 81 HIS HBy A 81 HIS H 1.0 . 2.91 767 655 A 81 HIS HBx A 81 HIS H 1.0 . 2.94 768 656 A 84 GLN HBy A 81 HIS H 1.0 . 3.28 769 657 A 84 GLN HBx A 81 HIS H 1.0 . 4.75 770 658 A 80 LEU HBy A 81 HIS H 1.0 . 4.28 771 659 A 84 GLN HGy A 81 HIS H 1.0 . 5.49 772 660 A 80 LEU HG A 81 HIS H 1.0 . 4.99 773 661 A 80 LEU HBx A 81 HIS H 1.0 . 3.30 774 662 A 84 GLN HGx A 81 HIS H 1.0 . 4.72 775 663 A 85 ILE HD1% A 81 HIS H 1.0 . 5.22 776 664 A 80 LEU HDy% A 81 HIS H 1.0 . 3.47 777 665 A 80 LEU HDx% A 81 HIS H 1.0 . 4.38 778 666 A 76 LEU H A 77 ALA H 1.0 . 2.54 779 667 A 74 GLN HA A 77 ALA H 1.0 . 3.66 780 668 A 78 PRO HDx A 77 ALA H 1.0 . 3.72 781 669 A 75 ASN HBx A 77 ALA H 1.0 . 5.01 782 670 A 74 GLN HBx A 77 ALA H 1.0 . 5.50 783 671 A 77 ALA H A 78 PRO HBy 1.0 . 5.50 784 672 A 77 ALA H A 78 PRO HGx 1.0 . 5.50 785 672 A 77 ALA H A 78 PRO HGy 1.0 . 5.50 786 673 A 76 LEU HBy A 77 ALA H 1.0 . 3.37 787 674 A 76 LEU HBx A 77 ALA H 1.0 . 4.19 788 675 A 77 ALA HB% A 77 ALA H 1.0 . 2.82 789 676 A 65 VAL H A 64 PRO HA 1.0 . 2.40 790 677 A 65 VAL H A 64 PRO HBx 1.0 . 4.19 791 678 A 65 VAL H A 69 MET HE% 1.0 . 5.50 792 679 A 65 VAL H A 64 PRO HBy 1.0 . 3.83 793 680 A 65 VAL H A 66 THR HG2% 1.0 . 5.14 794 681 A 65 VAL H A 65 VAL HGx% 1.0 . 3.31 795 682 A 65 VAL H A 65 VAL HGy% 1.0 . 3.31 796 683 A 103 LEU H A 100 GLU H 1.0 . 5.22 797 684 A 103 LEU H A 105 GLY H 1.0 . 4.16 798 685 A 103 LEU H A 102 TYR HD% 1.0 . 3.39 799 686 A 99 VAL HA A 103 LEU H 1.0 . 4.17 800 687 A 102 TYR HBy A 103 LEU H 1.0 . 3.00 801 688 A 103 LEU H A 102 TYR HBx 1.0 . 4.17 802 689 A 103 LEU H A 103 LEU HBy 1.0 . 2.67 803 690 A 103 LEU H A 103 LEU HBx 1.0 . 3.69 804 691 A 103 LEU H A 103 LEU HG 1.0 . 3.16 805 692 A 109 SER HA A 110 PHE H 1.0 . 2.66 806 693 A 110 PHE H A 109 SER HB2 1.0 . 3.79 807 694 A 110 PHE H A 109 SER HB3 1.0 . 3.79 808 695 A 111 PRO HDy A 110 PHE H 1.0 . 5.03 809 696 A 110 PHE HBy A 110 PHE H 1.0 . 2.78 810 697 A 110 PHE HBx A 110 PHE H 1.0 . 3.68 811 698 A 58 ARG HA A 59 VAL H 1.0 . 3.08 812 699 A 59 VAL H A 59 VAL HB 1.0 . 3.63 813 700 A 58 ARG HBy A 59 VAL H 1.0 . 5.24 814 701 A 58 ARG HBx A 59 VAL H 1.0 . 5.24 815 702 A 59 VAL H A 58 ARG HGx 1.0 . 4.50 816 702 A 58 ARG HGy A 59 VAL H 1.0 . 4.50 817 703 A 59 VAL H A 59 VAL HGx% 1.0 . 3.49 818 703 A 59 VAL HGy% A 59 VAL H 1.0 . 3.49 819 704 A 102 TYR H A 106 ASP H 1.0 . 5.17 820 705 A 105 GLY H A 106 ASP H 1.0 . 2.65 821 706 A 108 PHE HE% A 106 ASP H 1.0 . 4.28 822 707 A 106 ASP HA A 106 ASP H 1.0 . 2.94 823 708 A 101 ARG HA A 106 ASP H 1.0 . 4.64 824 709 A 106 ASP H A 104 ARG HDx 1.0 . 4.60 825 709 A 104 ARG HDy A 106 ASP H 1.0 . 4.60 826 710 A 106 ASP H A 106 ASP HBx 1.0 . 2.54 827 710 A 106 ASP HBy A 106 ASP H 1.0 . 2.54 828 711 A 101 ARG HBx A 106 ASP H 1.0 . 4.47 829 712 A 63 HIS HD2 A 63 HIS H 1.0 . 4.00 830 713 A 90 GLU HA A 63 HIS H 1.0 . 3.58 831 714 A 90 GLU HBx A 63 HIS H 1.0 . 4.49 832 715 A 54 ARG H A 53 LEU HA 1.0 . 3.23 833 716 A 54 ARG H A 54 ARG HBx 1.0 . 3.52 834 716 A 54 ARG H A 54 ARG HBy 1.0 . 3.52 835 717 A 54 ARG H A 53 LEU HG 1.0 . 4.59 836 718 A 109 SER H A 110 PHE H 1.0 . 4.57 837 719 A 108 PHE HA A 109 SER H 1.0 . 2.78 838 720 A 109 SER H A 109 SER HB2 1.0 . 3.71 839 721 A 109 SER H A 109 SER HB3 1.0 . 3.71 840 722 A 108 PHE HBx A 109 SER H 1.0 . 4.45 841 723 A 114 PHE H A 113 GLY H 1.0 . 3.45 842 724 A 114 PHE HD% A 114 PHE H 1.0 . 4.22 843 725 A 114 PHE HBy A 114 PHE H 1.0 . 2.76 844 726 A 114 PHE HBx A 114 PHE H 1.0 . 2.84 845 727 A 110 PHE HBx A 114 PHE H 1.0 . 4.67 846 728 A 111 PRO HGy A 114 PHE H 1.0 . 4.40 847 729 A 111 PRO HBy A 114 PHE H 1.0 . 4.64 848 730 A 100 GLU H A 99 VAL H 1.0 . 2.86 849 731 A 97 GLU HA A 100 GLU H 1.0 . 3.47 850 732 A 100 GLU HA A 100 GLU H 1.0 . 2.92 851 733 A 96 GLU HA A 100 GLU H 1.0 . 4.61 852 734 A 98 THR HA A 100 GLU H 1.0 . 5.11 853 735 A 98 THR HG2% A 100 GLU H 1.0 . 5.30 854 736 A 100 GLU H A 99 VAL HGy% 1.0 . 4.62 855 737 A 58 ARG H A 58 ARG HGx 1.0 . 4.63 856 737 A 58 ARG HGy A 58 ARG H 1.0 . 4.63 857 738 A 97 GLU H A 99 VAL H 1.0 . 4.47 858 739 A 98 THR HB A 99 VAL H 1.0 . 3.00 859 740 A 96 GLU HA A 99 VAL H 1.0 . 4.04 860 741 A 95 VAL HA A 99 VAL H 1.0 . 4.33 861 742 A 99 VAL HB A 99 VAL H 1.0 . 2.53 862 743 A 101 ARG HGy A 99 VAL H 1.0 . 4.46 863 744 A 97 GLU HBx A 99 VAL H 1.0 . 5.28 864 745 A 98 THR HG2% A 99 VAL H 1.0 . 3.65 865 746 A 85 ILE H A 83 GLU H 1.0 . 4.16 866 747 A 85 ILE H A 81 HIS H 1.0 . 4.87 867 748 A 86 ARG H A 85 ILE H 1.0 . 3.24 868 749 A 85 ILE H A 83 GLU HA 1.0 . 4.49 869 750 A 85 ILE H A 81 HIS HBx 1.0 . 4.49 870 751 A 85 ILE H A 84 GLN HBy 1.0 . 3.15 871 752 A 85 ILE H A 85 ILE HB 1.0 . 2.71 872 753 A 85 ILE H A 84 GLN HBx 1.0 . 3.83 873 754 A 85 ILE H A 85 ILE HG1y 1.0 . 2.73 874 755 A 85 ILE H A 85 ILE HG2% 1.0 . 3.79 875 756 A 85 ILE H A 84 GLN HGx 1.0 . 4.66 876 757 A 85 ILE H A 85 ILE HD1% 1.0 . 3.81 877 758 A 85 ILE H A 85 ILE HG1x 1.0 . 3.70 878 759 A 85 ILE H A 80 LEU HDx% 1.0 . 5.04 879 760 A 71 GLU H A 69 MET H 1.0 . 4.51 880 761 A 69 MET H A 68 GLN H 1.0 . 3.11 881 762 A 66 THR HB A 69 MET H 1.0 . 3.82 882 763 A 69 MET H A 65 VAL HA 1.0 . 5.50 883 764 A 72 THR HB A 69 MET H 1.0 . 5.50 884 765 A 69 MET H A 68 GLN HGx 1.0 . 3.85 885 765 A 68 GLN HGy A 69 MET H 1.0 . 3.85 886 766 A 69 MET H A 66 THR HG2% 1.0 . 5.23 887 767 A 67 THR HG2% A 69 MET H 1.0 . 5.50 888 768 A 68 GLN H A 67 THR H 1.0 . 3.74 889 769 A 68 GLN H A 70 VAL H 1.0 . 4.56 890 770 A 67 THR HB A 68 GLN H 1.0 . 3.15 891 771 A 68 GLN H A 68 GLN HGx 1.0 . 3.65 892 771 A 68 GLN HGy A 68 GLN H 1.0 . 3.65 893 772 A 68 GLN H A 68 GLN HBy 1.0 . 2.88 894 773 A 68 GLN HBx A 68 GLN H 1.0 . 3.69 895 774 A 66 THR HG2% A 68 GLN H 1.0 . 4.52 896 775 A 67 THR HG2% A 68 GLN H 1.0 . 4.74 897 776 A 52 ALA HA A 53 LEU H 1.0 . 3.03 898 777 A 52 ALA HB% A 53 LEU H 1.0 . 3.65 899 778 A 90 GLU H A 92 THR H 1.0 . 4.41 900 779 A 90 GLU H A 87 TYR HA 1.0 . 3.60 901 780 A 90 GLU H A 86 ARG HA 1.0 . 4.60 902 781 A 90 GLU H A 87 TYR HBx 1.0 . 5.50 903 782 A 90 GLU H A 91 ASN HBy 1.0 . 4.71 904 783 A 90 GLU H A 90 GLU HBy 1.0 . 2.76 905 784 A 90 GLU H A 89 LEU HBy 1.0 . 2.97 906 785 A 90 GLU H A 86 ARG HGx 1.0 . 4.94 907 785 A 90 GLU H A 86 ARG HGy 1.0 . 4.94 908 786 A 90 GLU H A 89 LEU HBx 1.0 . 3.83 909 787 A 90 GLU H A 89 LEU HDx% 1.0 . 5.46 910 788 A 90 GLU H A 89 LEU HDy% 1.0 . 5.46 911 789 A 81 HIS HA A 83 GLU H 1.0 . 4.42 912 790 A 82 PRO HDy A 83 GLU H 1.0 . 4.60 913 791 A 81 HIS HBy A 83 GLU H 1.0 . 4.60 914 792 A 81 HIS HBx A 83 GLU H 1.0 . 4.08 915 793 A 83 GLU H A 82 PRO HBx 1.0 . 4.31 916 793 A 82 PRO HBy A 83 GLU H 1.0 . 4.31 917 794 A 83 GLU HBy A 83 GLU H 1.0 . 3.26 918 795 A 83 GLU H A 82 PRO HGx 1.0 . 3.67 919 795 A 83 GLU H A 82 PRO HGy 1.0 . 3.67 920 796 A 83 GLU HBx A 83 GLU H 1.0 . 3.80 921 797 A 97 GLU H A 95 VAL H 1.0 . 4.60 922 798 A 97 GLU HA A 97 GLU H 1.0 . 2.94 923 799 A 97 GLU HBy A 97 GLU H 1.0 . 2.76 924 800 A 97 GLU H A 96 GLU HBx 1.0 . 3.57 925 800 A 97 GLU H A 96 GLU HBy 1.0 . 3.57 926 801 A 97 GLU H A 97 GLU HBx 1.0 . 2.81 927 802 A 92 THR HG2% A 97 GLU H 1.0 . 5.50 928 803 A 97 GLU H A 95 VAL HGx% 1.0 . 5.50 929 804 A 97 GLU H A 95 VAL HGy% 1.0 . 5.50 930 805 A 102 TYR H A 103 LEU H 1.0 . 2.91 931 806 A 102 TYR H A 99 VAL H 1.0 . 4.87 932 807 A 102 TYR H A 108 PHE HZ 1.0 . 3.05 933 808 A 102 TYR H A 108 PHE HE% 1.0 . 3.80 934 809 A 102 TYR H A 102 TYR HD% 1.0 . 3.99 935 810 A 102 TYR H A 100 GLU HA 1.0 . 4.65 936 811 A 102 TYR H A 101 ARG HA 1.0 . 3.54 937 812 A 102 TYR H A 99 VAL HA 1.0 . 3.44 938 813 A 102 TYR H A 102 TYR HBy 1.0 . 2.67 939 814 A 102 TYR H A 102 TYR HBx 1.0 . 3.11 940 815 A 102 TYR H A 101 ARG HDx 1.0 . 4.95 941 816 A 102 TYR H A 106 ASP HBx 1.0 . 4.70 942 816 A 102 TYR H A 106 ASP HBy 1.0 . 4.70 943 817 A 102 TYR H A 101 ARG HGy 1.0 . 2.99 944 818 A 102 TYR H A 101 ARG HBx 1.0 . 3.83 945 819 A 102 TYR H A 101 ARG HGx 1.0 . 4.39 946 820 A 102 TYR H A 98 THR HG2% 1.0 . 4.40 947 821 A 102 TYR H A 103 LEU HG 1.0 . 4.11 948 822 A 86 ARG H A 83 GLU HA 1.0 . 4.04 949 823 A 86 ARG H A 84 GLN HA 1.0 . 5.50 950 824 A 86 ARG H A 70 VAL HB 1.0 . 5.50 951 825 A 86 ARG H A 85 ILE HB 1.0 . 2.62 952 826 A 86 ARG H A 86 ARG HBx 1.0 . 2.79 953 826 A 86 ARG H A 86 ARG HBy 1.0 . 2.79 954 827 A 86 ARG H A 86 ARG HGx 1.0 . 4.04 955 827 A 86 ARG H A 86 ARG HGy 1.0 . 4.04 956 828 A 86 ARG H A 85 ILE HG2% 1.0 . 3.76 957 829 A 86 ARG H A 85 ILE HD1% 1.0 . 4.57 958 830 A 86 ARG H A 85 ILE HG1x 1.0 . 5.01 959 831 A 107 GLU H A 106 ASP H 1.0 . 4.81 960 832 A 50 GLN HA A 51 ASN H 1.0 . 2.77 961 833 A 107 GLU H A 106 ASP HBx 1.0 . 2.97 962 833 A 106 ASP HBy A 107 GLU H 1.0 . 2.97 963 834 A 107 GLU H A 107 GLU HGy 1.0 . 4.00 964 835 A 107 GLU H A 107 GLU HGx 1.0 . 4.00 965 836 A 107 GLU H A 107 GLU HBx 1.0 . 2.59 966 836 A 107 GLU H A 107 GLU HBy 1.0 . 2.59 967 837 A 74 GLN H A 73 VAL H 1.0 . 2.87 968 838 A 71 GLU H A 73 VAL H 1.0 . 4.96 969 839 A 72 THR H A 73 VAL H 1.0 . 3.16 970 840 A 72 THR HB A 73 VAL H 1.0 . 2.88 971 841 A 73 VAL HB A 73 VAL H 1.0 . 2.73 972 842 A 95 VAL HB A 73 VAL H 1.0 . 5.40 973 843 A 73 VAL H A 73 VAL HGx% 1.0 . 3.79 974 844 A 73 VAL H A 95 VAL HGy% 1.0 . 4.06 975 845 A 73 VAL H A 73 VAL HGy% 1.0 . 3.79 976 846 A 86 ARG H A 89 LEU H 1.0 . 5.22 977 847 A 89 LEU H A 87 TYR HA 1.0 . 5.15 978 848 A 89 LEU H A 88 SER HBy 1.0 . 4.05 979 849 A 89 LEU H A 88 SER HBx 1.0 . 4.05 980 850 A 86 ARG HA A 89 LEU H 1.0 . 4.10 981 851 A 85 ILE HA A 89 LEU H 1.0 . 4.11 982 852 A 89 LEU H A 69 MET HE% 1.0 . 5.50 983 853 A 89 LEU H A 90 GLU HBy 1.0 . 5.50 984 854 A 89 LEU HBy A 89 LEU H 1.0 . 2.78 985 855 A 89 LEU HG A 89 LEU H 1.0 . 2.71 986 856 A 89 LEU H A 86 ARG HGx 1.0 . 5.50 987 856 A 86 ARG HGy A 89 LEU H 1.0 . 5.50 988 857 A 89 LEU HBx A 89 LEU H 1.0 . 3.73 989 858 A 92 THR HG2% A 89 LEU H 1.0 . 5.50 990 859 A 89 LEU H A 85 ILE HG2% 1.0 . 4.54 991 860 A 89 LEU H A 89 LEU HDx% 1.0 . 4.45 992 861 A 80 LEU H A 81 HIS H 1.0 . 4.59 993 862 A 80 LEU H A 79 ASN H 1.0 . 2.78 994 863 A 80 LEU H A 102 TYR HE% 1.0 . 4.90 995 864 A 79 ASN HA A 80 LEU H 1.0 . 3.48 996 865 A 74 GLN HA A 80 LEU H 1.0 . 5.47 997 866 A 80 LEU H A 78 PRO HDy 1.0 . 5.50 998 867 A 80 LEU H A 79 ASN HBx 1.0 . 3.94 999 867 A 79 ASN HBy A 80 LEU H 1.0 . 3.94 1000 868 A 80 LEU H A 78 PRO HGx 1.0 . 5.16 1001 868 A 80 LEU H A 78 PRO HGy 1.0 . 5.16 1002 869 A 80 LEU HBy A 80 LEU H 1.0 . 2.79 1003 870 A 80 LEU HG A 80 LEU H 1.0 . 3.66 1004 871 A 80 LEU HBx A 80 LEU H 1.0 . 3.71 1005 872 A 80 LEU HDy% A 80 LEU H 1.0 . 4.13 1006 873 A 77 ALA HB% A 80 LEU H 1.0 . 3.86 1007 874 A 80 LEU HDx% A 80 LEU H 1.0 . 4.50 1008 875 A 74 GLN H A 71 GLU H 1.0 . 4.98 1009 876 A 71 GLU H A 72 THR HB 1.0 . 5.27 1010 877 A 71 GLU H A 68 GLN HA 1.0 . 4.05 1011 878 A 71 GLU H A 71 GLU HA 1.0 . 2.93 1012 879 A 71 GLU H A 71 GLU HGy 1.0 . 3.64 1013 880 A 71 GLU H A 70 VAL HB 1.0 . 2.74 1014 881 A 71 GLU H A 71 GLU HBx 1.0 . 3.01 1015 881 A 71 GLU H A 71 GLU HBy 1.0 . 3.01 1016 882 A 71 GLU H A 67 THR HG2% 1.0 . 4.14 1017 883 A 71 GLU H A 70 VAL HGx% 1.0 . 4.11 1018 884 A 98 THR H A 95 VAL H 1.0 . 5.15 1019 885 A 98 THR H A 99 VAL H 1.0 . 2.86 1020 886 A 98 THR H A 100 GLU H 1.0 . 4.30 1021 887 A 98 THR H A 98 THR HB 1.0 . 2.75 1022 888 A 98 THR H A 95 VAL HA 1.0 . 3.65 1023 889 A 98 THR H A 97 GLU HGx 1.0 . 3.75 1024 889 A 98 THR H A 97 GLU HGy 1.0 . 3.75 1025 890 A 98 THR H A 97 GLU HBy 1.0 . 4.08 1026 891 A 98 THR H A 97 GLU HBx 1.0 . 3.08 1027 892 A 98 THR H A 98 THR HG2% 1.0 . 3.87 1028 893 A 98 THR H A 92 THR HG2% 1.0 . 3.68 1029 894 A 101 ARG H A 103 LEU H 1.0 . 4.56 1030 895 A 101 ARG H A 99 VAL H 1.0 . 4.20 1031 896 A 101 ARG H A 101 ARG HE 1.0 . 5.45 1032 897 A 101 ARG H A 104 ARG H 1.0 . 5.50 1033 898 A 101 ARG H A 108 PHE HZ 1.0 . 4.39 1034 899 A 101 ARG H A 97 GLU HA 1.0 . 4.20 1035 900 A 101 ARG H A 99 VAL HA 1.0 . 4.47 1036 901 A 101 ARG H A 102 TYR HBy 1.0 . 4.58 1037 902 A 101 ARG H A 101 ARG HDy 1.0 . 4.33 1038 903 A 101 ARG H A 101 ARG HDx 1.0 . 3.86 1039 904 A 101 ARG H A 106 ASP HBx 1.0 . 5.12 1040 904 A 101 ARG H A 106 ASP HBy 1.0 . 5.12 1041 905 A 101 ARG H A 101 ARG HGy 1.0 . 2.66 1042 906 A 101 ARG H A 101 ARG HBx 1.0 . 3.71 1043 907 A 101 ARG H A 101 ARG HGx 1.0 . 3.50 1044 908 A 101 ARG H A 98 THR HG2% 1.0 . 5.22 1045 909 A 101 ARG H A 103 LEU HG 1.0 . 4.77 1046 910 A 101 ARG H A 103 LEU HDx% 1.0 . 5.13 1047 910 A 101 ARG H A 103 LEU HDy% 1.0 . 5.13 1048 911 A 65 VAL H A 66 THR H 1.0 . 4.58 1049 912 A 66 THR H A 68 GLN H 1.0 . 4.90 1050 913 A 65 VAL HA A 66 THR H 1.0 . 2.57 1051 914 A 67 THR HA A 66 THR H 1.0 . 5.50 1052 915 A 69 MET HA A 66 THR H 1.0 . 5.50 1053 916 A 65 VAL HB A 66 THR H 1.0 . 4.21 1054 917 A 66 THR H A 65 VAL HGx% 1.0 . 4.46 1055 918 A 74 GLN H A 76 LEU H 1.0 . 4.28 1056 919 A 74 GLN HA A 76 LEU H 1.0 . 4.61 1057 920 A 73 VAL HA A 76 LEU H 1.0 . 3.56 1058 921 A 76 LEU H A 75 ASN HBx 1.0 . 3.43 1059 922 A 76 LEU HBy A 76 LEU H 1.0 . 2.80 1060 923 A 76 LEU HBx A 76 LEU H 1.0 . 3.74 1061 924 A 72 THR HG2% A 76 LEU H 1.0 . 4.57 1062 925 A 76 LEU H A 76 LEU HDx% 1.0 . 4.35 1063 926 A 76 LEU H A 77 ALA HB% 1.0 . 4.59 1064 927 A 71 GLU H A 70 VAL H 1.0 . 2.88 1065 928 A 69 MET H A 70 VAL H 1.0 . 2.83 1066 929 A 68 GLN HA A 70 VAL H 1.0 . 5.08 1067 930 A 67 THR HA A 70 VAL H 1.0 . 3.86 1068 931 A 70 VAL H A 69 MET HGy 1.0 . 5.17 1069 932 A 70 VAL H A 69 MET HGx 1.0 . 5.17 1070 933 A 70 VAL H A 68 GLN HGx 1.0 . 4.73 1071 933 A 68 GLN HGy A 70 VAL H 1.0 . 4.73 1072 934 A 71 GLU HGy A 70 VAL H 1.0 . 5.22 1073 935 A 70 VAL HB A 70 VAL H 1.0 . 3.29 1074 936 A 65 VAL HB A 70 VAL H 1.0 . 5.50 1075 937 A 70 VAL H A 71 GLU HBx 1.0 . 5.50 1076 937 A 71 GLU HBy A 70 VAL H 1.0 . 5.50 1077 938 A 67 THR HG2% A 70 VAL H 1.0 . 4.92 1078 939 A 96 GLU H A 95 VAL H 1.0 . 2.89 1079 940 A 97 GLU H A 96 GLU H 1.0 . 2.95 1080 941 A 96 GLU H A 94 SER HA 1.0 . 4.20 1081 942 A 97 GLU HA A 96 GLU H 1.0 . 5.50 1082 943 A 98 THR HB A 96 GLU H 1.0 . 5.50 1083 944 A 96 GLU HA A 96 GLU H 1.0 . 2.91 1084 945 A 96 GLU H A 96 GLU HGy 1.0 . 3.72 1085 946 A 96 GLU H A 96 GLU HGx 1.0 . 3.72 1086 947 A 96 GLU H A 96 GLU HBx 1.0 . 2.59 1087 947 A 96 GLU H A 96 GLU HBy 1.0 . 2.59 1088 948 A 96 GLU H A 95 VAL HGx% 1.0 . 4.10 1089 949 A 96 GLU H A 95 VAL HGy% 1.0 . 4.10 1090 950 A 83 GLU H A 84 GLN H 1.0 . 2.98 1091 951 A 86 ARG H A 84 GLN H 1.0 . 4.92 1092 952 A 81 HIS HE1 A 84 GLN H 1.0 . 4.91 1093 953 A 85 ILE H A 84 GLN H 1.0 . 2.74 1094 954 A 81 HIS HBy A 84 GLN H 1.0 . 4.06 1095 955 A 85 ILE HA A 84 GLN H 1.0 . 5.39 1096 956 A 81 HIS HBx A 84 GLN H 1.0 . 3.30 1097 957 A 84 GLN HBy A 84 GLN H 1.0 . 2.90 1098 958 A 83 GLU HBy A 84 GLN H 1.0 . 3.67 1099 959 A 83 GLU HBx A 84 GLN H 1.0 . 3.65 1100 960 A 84 GLN HBx A 84 GLN H 1.0 . 3.68 1101 961 A 85 ILE HG1y A 84 GLN H 1.0 . 4.55 1102 962 A 84 GLN HGy A 84 GLN H 1.0 . 3.93 1103 963 A 84 GLN HGx A 84 GLN H 1.0 . 3.35 1104 964 A 85 ILE HD1% A 84 GLN H 1.0 . 5.21 1105 965 A 86 ARG H A 87 TYR H 1.0 . 3.31 1106 966 A 89 LEU H A 87 TYR H 1.0 . 4.54 1107 967 A 87 TYR H A 88 SER H 1.0 . 2.99 1108 968 A 110 PHE HA A 87 TYR H 1.0 . 5.50 1109 969 A 84 GLN HA A 87 TYR H 1.0 . 3.86 1110 970 A 87 TYR HBy A 87 TYR H 1.0 . 2.69 1111 971 A 87 TYR HBx A 87 TYR H 1.0 . 2.83 1112 972 A 87 TYR H A 86 ARG HBx 1.0 . 2.88 1113 972 A 86 ARG HBy A 87 TYR H 1.0 . 2.88 1114 973 A 87 TYR H A 86 ARG HGx 1.0 . 4.09 1115 973 A 86 ARG HGy A 87 TYR H 1.0 . 4.09 1116 974 A 85 ILE HG2% A 87 TYR H 1.0 . 5.50 1117 975 A 66 THR HA A 67 THR H 1.0 . 3.19 1118 976 A 66 THR HB A 67 THR H 1.0 . 3.52 1119 977 A 67 THR HB A 67 THR H 1.0 . 3.84 1120 978 A 66 THR HG2% A 67 THR H 1.0 . 4.20 1121 979 A 67 THR HG2% A 67 THR H 1.0 . 4.77 1122 980 A 71 GLU H A 72 THR H 1.0 . 2.81 1123 981 A 72 THR H A 69 MET H 1.0 . 5.07 1124 982 A 72 THR H A 70 VAL H 1.0 . 4.60 1125 983 A 72 THR H A 72 THR HB 1.0 . 2.89 1126 984 A 68 GLN HA A 72 THR H 1.0 . 4.33 1127 985 A 72 THR HA A 72 THR H 1.0 . 2.90 1128 986 A 70 VAL HA A 72 THR H 1.0 . 4.88 1129 987 A 71 GLU HGy A 72 THR H 1.0 . 5.05 1130 988 A 72 THR H A 71 GLU HBx 1.0 . 3.42 1131 988 A 72 THR H A 71 GLU HBy 1.0 . 3.42 1132 989 A 72 THR HG2% A 72 THR H 1.0 . 3.87 1133 990 A 72 THR H A 95 VAL HGx% 1.0 . 5.50 1134 991 A 72 THR H A 95 VAL HGy% 1.0 . 5.50 1135 992 A 103 LEU H A 104 ARG H 1.0 . 3.01 1136 993 A 102 TYR H A 104 ARG H 1.0 . 4.04 1137 994 A 101 ARG HA A 104 ARG H 1.0 . 3.77 1138 995 A 104 ARG H A 104 ARG HDx 1.0 . 4.49 1139 995 A 104 ARG HDy A 104 ARG H 1.0 . 4.49 1140 996 A 104 ARG HBy A 104 ARG H 1.0 . 2.74 1141 997 A 104 ARG H A 103 LEU HBx 1.0 . 4.10 1142 998 A 104 ARG H A 103 LEU HG 1.0 . 4.60 1143 999 A 104 ARG H A 103 LEU HDx% 1.0 . 4.78 1144 999 A 103 LEU HDy% A 104 ARG H 1.0 . 4.78 1145 1000 A 92 THR H A 91 ASN H 1.0 . 2.77 1146 1001 A 91 ASN H A 93 GLY H 1.0 . 3.92 1147 1002 A 90 GLU H A 91 ASN H 1.0 . 2.90 1148 1003 A 91 ASN H A 91 ASN HD2x 1.0 . 3.73 1149 1004 A 91 ASN H A 91 ASN HD2y 1.0 . 4.24 1150 1005 A 91 ASN H A 87 TYR HA 1.0 . 4.66 1151 1006 A 88 SER HA A 91 ASN H 1.0 . 3.96 1152 1007 A 91 ASN HBy A 91 ASN H 1.0 . 2.80 1153 1008 A 91 ASN H A 90 GLU HBy 1.0 . 3.38 1154 1009 A 91 ASN H A 90 GLU HBx 1.0 . 3.52 1155 1010 A 92 THR HG2% A 91 ASN H 1.0 . 4.01 1156 1011 A 74 GLN H A 75 ASN H 1.0 . 3.03 1157 1012 A 72 THR H A 75 ASN H 1.0 . 5.06 1158 1013 A 75 ASN H A 77 ALA H 1.0 . 4.16 1159 1014 A 75 ASN H A 76 LEU H 1.0 . 2.93 1160 1015 A 71 GLU HA A 75 ASN H 1.0 . 4.31 1161 1016 A 72 THR HA A 75 ASN H 1.0 . 4.50 1162 1017 A 73 VAL HA A 75 ASN H 1.0 . 4.82 1163 1018 A 75 ASN H A 75 ASN HBx 1.0 . 2.67 1164 1019 A 74 GLN HGy A 75 ASN H 1.0 . 4.20 1165 1020 A 74 GLN HGx A 75 ASN H 1.0 . 4.95 1166 1021 A 74 GLN HBy A 75 ASN H 1.0 . 3.11 1167 1022 A 75 ASN H A 74 GLN HBx 1.0 . 4.11 1168 1023 A 76 LEU HG A 75 ASN H 1.0 . 4.96 1169 1024 A 85 ILE HD1% A 75 ASN H 1.0 . 4.72 1170 1025 A 92 THR H A 93 GLY H 1.0 . 2.74 1171 1026 A 63 HIS HD2 A 93 GLY H 1.0 . 4.42 1172 1027 A 94 SER HA A 93 GLY H 1.0 . 4.99 1173 1028 A 89 LEU HA A 93 GLY H 1.0 . 3.22 1174 1029 A 91 ASN HBy A 93 GLY H 1.0 . 5.22 1175 1030 A 89 LEU HBy A 93 GLY H 1.0 . 5.48 1176 1031 A 89 LEU HBx A 93 GLY H 1.0 . 4.59 1177 1032 A 92 THR HG2% A 93 GLY H 1.0 . 3.86 1178 1033 A 94 SER H A 95 VAL H 1.0 . 4.24 1179 1034 A 94 SER H A 93 GLY H 1.0 . 2.84 1180 1035 A 92 THR HB A 94 SER H 1.0 . 3.13 1181 1036 A 94 SER H A 97 GLU HGx 1.0 . 4.84 1182 1036 A 97 GLU HGy A 94 SER H 1.0 . 4.84 1183 1037 A 94 SER H A 69 MET HE% 1.0 . 4.41 1184 1038 A 97 GLU HBy A 94 SER H 1.0 . 4.79 1185 1039 A 94 SER H A 97 GLU HBx 1.0 . 3.94 1186 1040 A 94 SER H A 92 THR HG2% 1.0 . 4.37 1187 1041 A 102 TYR HE% A 79 ASN H 1.0 . 4.09 1188 1042 A 77 ALA HA A 79 ASN H 1.0 . 3.71 1189 1043 A 78 PRO HDy A 79 ASN H 1.0 . 3.47 1190 1044 A 78 PRO HDx A 79 ASN H 1.0 . 4.12 1191 1045 A 79 ASN H A 79 ASN HBx 1.0 . 2.86 1192 1045 A 79 ASN HBy A 79 ASN H 1.0 . 2.86 1193 1046 A 79 ASN H A 78 PRO HBx 1.0 . 4.29 1194 1047 A 79 ASN H A 78 PRO HGx 1.0 . 3.25 1195 1047 A 78 PRO HGy A 79 ASN H 1.0 . 3.25 1196 1048 A 80 LEU HBy A 79 ASN H 1.0 . 4.66 1197 1049 A 80 LEU HG A 79 ASN H 1.0 . 4.44 1198 1050 A 77 ALA HB% A 79 ASN H 1.0 . 4.18 1199 1051 A 113 GLY H A 112 PRO HA 1.0 . 3.17 1200 1052 A 86 ARG H A 88 SER H 1.0 . 4.80 1201 1053 A 89 LEU H A 88 SER H 1.0 . 2.96 1202 1054 A 86 ARG HE A 88 SER H 1.0 . 5.50 1203 1055 A 87 TYR HD% A 88 SER H 1.0 . 4.41 1204 1056 A 86 ARG HA A 88 SER H 1.0 . 5.00 1205 1057 A 85 ILE HA A 88 SER H 1.0 . 3.70 1206 1058 A 87 TYR HBy A 88 SER H 1.0 . 3.69 1207 1059 A 87 TYR HBx A 88 SER H 1.0 . 3.24 1208 1060 A 89 LEU HBy A 88 SER H 1.0 . 5.12 1209 1061 A 88 SER H A 86 ARG HBx 1.0 . 5.09 1210 1061 A 86 ARG HBy A 88 SER H 1.0 . 5.09 1211 1062 A 89 LEU HG A 88 SER H 1.0 . 5.50 1212 1063 A 98 THR HG2% A 88 SER H 1.0 . 5.08 1213 1064 A 85 ILE HG2% A 88 SER H 1.0 . 4.92 1214 1065 A 88 SER H A 89 LEU HDx% 1.0 . 5.50 1215 1066 A 88 SER H A 89 LEU HDy% 1.0 . 5.50 1216 1067 A 92 THR H A 94 SER H 1.0 . 4.62 1217 1068 A 92 THR HA A 92 THR H 1.0 . 2.87 1218 1069 A 92 THR H A 93 GLY HAy 1.0 . 5.46 1219 1070 A 92 THR H A 91 ASN HBy 1.0 . 3.36 1220 1071 A 92 THR H A 91 ASN HBx 1.0 . 3.45 1221 1072 A 92 THR H A 92 THR HG2% 1.0 . 2.77 1222 1073 A 63 HIS H A 62 GLY H 1.0 . 3.92 1223 1074 A 62 GLY H A 61 GLY H 1.0 . 4.29 1224 1075 A 62 GLY H A 61 GLY HAx 1.0 . 3.06 1225 1075 A 61 GLY HAy A 62 GLY H 1.0 . 3.06 1226 1076 A 102 TYR H A 105 GLY H 1.0 . 5.17 1227 1077 A 104 ARG H A 105 GLY H 1.0 . 2.74 1228 1078 A 108 PHE HE% A 105 GLY H 1.0 . 4.73 1229 1079 A 102 TYR HA A 105 GLY H 1.0 . 3.85 1230 1080 A 105 GLY H A 106 ASP HBx 1.0 . 4.21 1231 1080 A 106 ASP HBy A 105 GLY H 1.0 . 4.21 1232 1081 A 104 ARG HBx A 105 GLY H 1.0 . 4.77 1233 1082 A 74 GLN H A 72 THR H 1.0 . 4.23 1234 1083 A 74 GLN H A 72 THR HB 1.0 . 4.94 1235 1084 A 74 GLN H A 71 GLU HA 1.0 . 3.76 1236 1085 A 74 GLN H A 75 ASN HBx 1.0 . 5.10 1237 1086 A 74 GLN H A 74 GLN HBy 1.0 . 2.84 1238 1087 A 74 GLN H A 74 GLN HBx 1.0 . 2.72 1239 1088 A 74 GLN H A 73 VAL HGx% 1.0 . 4.34 1240 1089 A 74 GLN H A 85 ILE HG2% 1.0 . 3.61 1241 1090 A 74 GLN H A 89 LEU HDx% 1.0 . 5.50 1242 1091 A 74 GLN H A 89 LEU HDy% 1.0 . 5.50 1243 1092 A 74 GLN H A 85 ILE HD1% 1.0 . 3.09 1244 1093 A 79 ASN HA A 79 ASN HD2x 1.0 . 2.82 1245 1094 A 79 ASN HD2x A 79 ASN HBx 1.0 . 3.08 1246 1094 A 79 ASN HBy A 79 ASN HD2x 1.0 . 3.08 1247 1095 A 79 ASN HA A 79 ASN HD2y 1.0 . 3.68 1248 1096 A 79 ASN HD2y A 79 ASN HBx 1.0 . 3.50 1249 1096 A 79 ASN HBy A 79 ASN HD2y 1.0 . 3.50 1250 1097 A 75 ASN HA A 75 ASN HD2x 1.0 . 4.52 1251 1098 A 72 THR HA A 75 ASN HD2x 1.0 . 3.81 1252 1099 A 75 ASN HBx A 75 ASN HD2x 1.0 . 3.27 1253 1100 A 76 LEU HG A 75 ASN HD2x 1.0 . 5.50 1254 1101 A 71 GLU HA A 75 ASN HD2y 1.0 . 4.90 1255 1102 A 72 THR HA A 75 ASN HD2y 1.0 . 5.13 1256 1103 A 75 ASN HBx A 75 ASN HD2y 1.0 . 3.80 1257 1104 A 66 THR HB A 68 GLN HE2x 1.0 . 3.24 1258 1105 A 66 THR HB A 68 GLN HE2y 1.0 . 3.24 1259 1106 A 78 PRO HA A 74 GLN HE2y 1.0 . 3.27 1260 1107 A 74 GLN HBy A 74 GLN HE2y 1.0 . 4.32 1261 1108 A 80 LEU HBy A 74 GLN HE2y 1.0 . 4.62 1262 1109 A 85 ILE HD1% A 74 GLN HE2y 1.0 . 3.68 1263 1110 A 109 SER H A 108 PHE H 1.0 . 5.10 1264 1111 A 104 ARG HE A 104 ARG HGx 1.0 . 4.03 1265 1112 A 101 ARG HA A 104 ARG HE 1.0 . 4.98 1266 1113 A 101 ARG HE A 97 GLU HGx 1.0 . 4.74 1267 1113 A 97 GLU HGy A 101 ARG HE 1.0 . 4.74 1268 1114 A 101 ARG HGy A 101 ARG HE 1.0 . 4.09 1269 1115 A 92 THR HG2% A 101 ARG HE 1.0 . 4.83 1270 1116 A 101 ARG HBx A 101 ARG HE 1.0 . 5.04 1271 1117 A 92 THR HB A 101 ARG HE 1.0 . 5.50 1272 1118 A 102 TYR H A 101 ARG HE 1.0 . 5.50 1273 1119 A 86 ARG HE A 86 ARG HBx 1.0 . 4.57 1274 1119 A 86 ARG HBy A 86 ARG HE 1.0 . 4.57 1275 1120 A 111 PRO HBx A 86 ARG HE 1.0 . 4.82 1276 1121 A 87 TYR HE% A 86 ARG HE 1.0 . 5.50 1277 1122 A 65 VAL H A 86 ARG HGx 1.0 . 5.50 1278 1122 A 86 ARG HGy A 65 VAL H 1.0 . 5.50 1279 1123 A 115 GLU H A 113 GLY H 1.0 . 4.78 1280 1124 A 113 GLY H A 115 GLU HGx 1.0 . 5.50 1281 1124 A 115 GLU HGy A 113 GLY H 1.0 . 5.50 1282 1125 A 111 PRO HDx A 110 PHE H 1.0 . 5.34 1283 1126 A 84 GLN HE2x A 110 PHE H 1.0 . 5.48 1284 1127 A 87 TYR HD% A 110 PHE H 1.0 . 4.97 1285 1128 A 84 GLN HGy A 110 PHE H 1.0 . 4.85 1286 1129 A 87 TYR HE% A 109 SER H 1.0 . 5.03 1287 1130 A 108 PHE HBy A 109 SER H 1.0 . 4.76 1288 1131 A 108 PHE HD% A 106 ASP H 1.0 . 4.94 1289 1132 A 103 LEU H A 106 ASP H 1.0 . 5.50 1290 1133 A 102 TYR HD% A 105 GLY H 1.0 . 5.03 1291 1134 A 105 GLY H A 104 ARG HDx 1.0 . 5.05 1292 1134 A 104 ARG HDy A 105 GLY H 1.0 . 5.05 1293 1135 A 103 LEU HG A 105 GLY H 1.0 . 5.39 1294 1136 A 105 GLY H A 103 LEU HDx% 1.0 . 5.50 1295 1136 A 103 LEU HDy% A 105 GLY H 1.0 . 5.50 1296 1137 A 72 THR H A 75 ASN HBx 1.0 . 5.50 1297 1138 A 104 ARG H A 102 TYR HD% 1.0 . 5.08 1298 1139 A 102 TYR H A 80 LEU HDx% 1.0 . 4.78 1299 1140 A 101 ARG H A 102 TYR HA 1.0 . 5.38 1300 1141 A 102 TYR HBy A 100 GLU H 1.0 . 5.05 1301 1142 A 100 GLU H A 101 ARG HGx 1.0 . 5.50 1302 1143 A 98 THR H A 101 ARG HDx 1.0 . 5.11 1303 1144 A 89 LEU HA A 95 VAL H 1.0 . 5.50 1304 1145 A 98 THR HB A 95 VAL H 1.0 . 5.50 1305 1146 A 97 GLU HBx A 93 GLY H 1.0 . 5.32 1306 1147 A 69 MET HE% A 93 GLY H 1.0 . 4.80 1307 1148 A 92 THR H A 97 GLU HBx 1.0 . 5.50 1308 1149 A 92 THR H A 90 GLU HBy 1.0 . 5.50 1309 1150 A 92 THR H A 97 GLU HGx 1.0 . 5.50 1310 1150 A 97 GLU HGy A 92 THR H 1.0 . 5.50 1311 1151 A 92 THR H A 93 GLY HAx 1.0 . 5.46 1312 1152 A 92 THR H A 63 HIS HD2 1.0 . 5.50 1313 1153 A 90 GLU H A 86 ARG HDx 1.0 . 5.50 1314 1153 A 90 GLU H A 86 ARG HDy 1.0 . 5.50 1315 1154 A 90 GLU H A 87 TYR H 1.0 . 4.83 1316 1155 A 89 LEU H A 91 ASN HD2x 1.0 . 5.50 1317 1156 A 87 TYR HBx A 89 LEU H 1.0 . 5.31 1318 1157 A 91 ASN HBy A 89 LEU H 1.0 . 5.45 1319 1158 A 92 THR HG2% A 88 SER H 1.0 . 5.50 1320 1159 A 88 SER H A 86 ARG HGx 1.0 . 5.50 1321 1159 A 86 ARG HGy A 88 SER H 1.0 . 5.50 1322 1160 A 86 ARG H A 84 GLN HBy 1.0 . 5.50 1323 1161 A 86 ARG H A 83 GLU HGx 1.0 . 5.50 1324 1161 A 86 ARG H A 83 GLU HGy 1.0 . 5.50 1325 1162 A 86 ARG H A 87 TYR HBx 1.0 . 5.50 1326 1163 A 86 ARG H A 83 GLU H 1.0 . 5.50 1327 1164 A 85 ILE H A 86 ARG HA 1.0 . 5.50 1328 1165 A 81 HIS HA A 84 GLN H 1.0 . 4.86 1329 1166 A 110 PHE HE% A 84 GLN H 1.0 . 4.87 1330 1167 A 110 PHE HD% A 83 GLU H 1.0 . 5.33 1331 1168 A 84 GLN HGx A 83 GLU H 1.0 . 5.21 1332 1169 A 83 GLU H A 81 HIS H 1.0 . 5.34 1333 1170 A 80 LEU HDy% A 79 ASN H 1.0 . 5.44 1334 1171 A 102 TYR HE% A 77 ALA H 1.0 . 5.11 1335 1172 A 74 GLN H A 77 ALA H 1.0 . 4.74 1336 1173 A 74 GLN HGy A 77 ALA H 1.0 . 5.50 1337 1174 A 80 LEU HDx% A 77 ALA H 1.0 . 4.92 1338 1175 A 72 THR HA A 76 LEU H 1.0 . 4.99 1339 1176 A 72 THR HG2% A 75 ASN H 1.0 . 5.04 1340 1177 A 74 GLN H A 74 GLN HE2y 1.0 . 4.98 1341 1178 A 74 GLN HA A 73 VAL H 1.0 . 5.50 1342 1179 A 76 LEU HBy A 73 VAL H 1.0 . 5.50 1343 1180 A 72 THR HB A 70 VAL H 1.0 . 5.50 1344 1181 A 67 THR H A 70 VAL H 1.0 . 5.34 1345 1182 A 66 THR H A 67 THR H 1.0 . 4.78 1346 1183 A 65 VAL H A 64 PRO HDy 1.0 . 5.50 1347 1184 A 90 GLU HA A 65 VAL H 1.0 . 5.20 1348 1185 A 63 HIS H A 90 GLU HGx 1.0 . 5.50 1349 1186 A 90 GLU HBy A 63 HIS H 1.0 . 5.10 1350 1187 A 63 HIS H A 90 GLU HGy 1.0 . 5.50 1351 1188 A 90 GLU HBx A 62 GLY H 1.0 . 5.50 1352 1189 A 56 THR HG2% A 56 THR H 1.0 . 5.25 1353 1190 A 104 ARG HA A 104 ARG HE 1.0 . 5.50 1354 1191 A 106 ASP HA A 104 ARG HE 1.0 . 5.50 1355 1192 A 81 HIS HA A 74 GLN HE2x 1.0 . 4.52 1356 1193 A 88 SER HA A 91 ASN HD2x 1.0 . 4.21 1357 1194 A 91 ASN HBy A 91 ASN HD2x 1.0 . 3.42 1358 1195 A 90 GLU HBy A 91 ASN HD2x 1.0 . 4.68 1359 1196 A 90 GLU HBx A 91 ASN HD2x 1.0 . 4.86 1360 1197 A 60 ASN HA A 60 ASN HD2x 1.0 . 2.79 1361 1198 A 74 GLN H A 75 ASN HD2x 1.0 . 5.25 1362 1199 A 75 ASN HA A 75 ASN HD2y 1.0 . 5.01 1363 1200 A 71 GLU HGx A 75 ASN HD2x 1.0 . 5.41 1364 1201 A 75 ASN HD2x A 71 GLU HBx 1.0 . 4.75 1365 1201 A 71 GLU HBy A 75 ASN HD2x 1.0 . 4.75 1366 1202 A 71 GLU HGy A 75 ASN HD2y 1.0 . 5.50 1367 1203 A 71 GLU HGx A 75 ASN HD2y 1.0 . 5.03 1368 1204 A 75 ASN HD2y A 71 GLU HBx 1.0 . 4.86 1369 1204 A 71 GLU HBy A 75 ASN HD2y 1.0 . 4.86 1370 1205 A 72 THR HG2% A 75 ASN HD2x 1.0 . 4.78 1371 1206 A 60 ASN HD2y A 59 VAL HGx% 1.0 . 5.13 1372 1206 A 59 VAL HGy% A 60 ASN HD2y 1.0 . 5.13 1373 1207 A 60 ASN HD2x A 59 VAL HGx% 1.0 . 5.17 1374 1207 A 59 VAL HGy% A 60 ASN HD2x 1.0 . 5.17 1375 1208 A 60 ASN HD2x A 60 ASN H 1.0 . 5.34 1376 1209 A 66 THR HG2% A 68 GLN HE2x 1.0 . 4.95 1377 1210 A 66 THR HG2% A 68 GLN HE2y 1.0 . 4.95 1378 1211 A 67 THR HB A 68 GLN HE2x 1.0 . 5.50 1379 1212 A 80 LEU HBy A 74 GLN HE2x 1.0 . 4.25 1380 1213 A 85 ILE HD1% A 74 GLN HE2x 1.0 . 3.52 1381 1214 A 77 ALA HB% A 74 GLN HE2y 1.0 . 4.93 1382 1215 A 77 ALA HB% A 74 GLN HE2x 1.0 . 4.99 1383 1216 A 74 GLN HGy A 74 GLN HE2x 1.0 . 3.71 1384 1217 A 74 GLN HA A 74 GLN HE2y 1.0 . 3.10 1385 1218 A 78 PRO HA A 74 GLN HE2x 1.0 . 4.24 1386 1219 A 74 GLN HGy A 74 GLN HE2y 1.0 . 3.20 1387 1220 A 74 GLN HE2x A 82 PRO HGx 1.0 . 5.50 1388 1220 A 82 PRO HGy A 74 GLN HE2x 1.0 . 5.50 1389 1221 A 74 GLN HBx A 74 GLN HE2x 1.0 . 4.35 1390 1222 A 74 GLN HBx A 74 GLN HE2y 1.0 . 3.94 1391 1223 A 74 GLN HA A 74 GLN HE2x 1.0 . 3.57 1392 1224 A 80 LEU HBx A 74 GLN HE2x 1.0 . 4.57 1393 1225 A 80 LEU HBx A 74 GLN HE2y 1.0 . 4.76 1394 1226 A 67 THR HB A 68 GLN HE2y 1.0 . 5.50 1395 1227 A 68 GLN HBx A 68 GLN HE2x 1.0 . 5.39 1396 1228 A 68 GLN HBx A 68 GLN HE2y 1.0 . 5.39 1397 1229 A 81 HIS H A 84 GLN HE2x 1.0 . 5.03 1398 1230 A 81 HIS H A 84 GLN HE2y 1.0 . 4.61 1399 1231 A 109 SER H A 84 GLN HE2x 1.0 . 5.29 1400 1232 A 109 SER H A 84 GLN HE2y 1.0 . 5.50 1401 1233 A 110 PHE HD% A 84 GLN HE2y 1.0 . 4.89 1402 1234 A 108 PHE HA A 84 GLN HE2x 1.0 . 4.59 1403 1235 A 109 SER HA A 84 GLN HE2x 1.0 . 4.95 1404 1236 A 109 SER HA A 84 GLN HE2y 1.0 . 4.91 1405 1237 A 84 GLN HA A 84 GLN HE2x 1.0 . 4.74 1406 1238 A 80 LEU HA A 84 GLN HE2y 1.0 . 5.49 1407 1239 A 108 PHE HBy A 84 GLN HE2x 1.0 . 3.33 1408 1240 A 108 PHE HBx A 84 GLN HE2x 1.0 . 3.59 1409 1241 A 84 GLN HBy A 84 GLN HE2x 1.0 . 4.48 1410 1242 A 108 PHE HBy A 84 GLN HE2y 1.0 . 3.54 1411 1243 A 108 PHE HBx A 84 GLN HE2y 1.0 . 3.94 1412 1244 A 84 GLN HBy A 84 GLN HE2y 1.0 . 4.72 1413 1245 A 84 GLN HBx A 84 GLN HE2y 1.0 . 4.32 1414 1246 A 84 GLN HGy A 84 GLN HE2y 1.0 . 3.78 1415 1247 A 80 LEU HDy% A 84 GLN HE2y 1.0 . 3.59 1416 1248 A 84 GLN HBx A 84 GLN HE2x 1.0 . 4.03 1417 1249 A 84 GLN HGy A 84 GLN HE2x 1.0 . 3.03 1418 1250 A 80 LEU HDy% A 84 GLN HE2x 1.0 . 4.06 1419 1251 A 80 LEU HDx% A 84 GLN HE2y 1.0 . 5.50 1420 1252 A 65 VAL H A 64 PRO HDx 1.0 . 5.50 1421 1253 A 59 VAL HB A 60 ASN H 1.0 . 5.50 1422 1254 A 60 ASN H A 59 VAL HGx% 1.0 . 5.44 1423 1254 A 59 VAL HGy% A 60 ASN H 1.0 . 5.44 1424 1255 A 60 ASN HD2y A 60 ASN H 1.0 . 5.18 1425 1256 A 69 MET H A 67 THR H 1.0 . 5.50 1426 1257 A 85 ILE HD1% A 71 GLU H 1.0 . 5.43 1427 1258 A 74 GLN H A 77 ALA HB% 1.0 . 5.07 1428 1259 A 74 GLN H A 80 LEU HDx% 1.0 . 5.50 1429 1260 A 74 GLN H A 85 ILE HG1y 1.0 . 5.50 1430 1261 A 80 LEU HDx% A 79 ASN H 1.0 . 5.37 1431 1262 A 79 ASN H A 74 GLN HE2y 1.0 . 5.50 1432 1263 A 80 LEU HDy% A 79 ASN HD2x 1.0 . 5.50 1433 1264 A 80 LEU H A 78 PRO HBx 1.0 . 5.40 1434 1265 A 85 ILE HG1y A 83 GLU H 1.0 . 5.48 1435 1266 A 110 PHE HE% A 83 GLU H 1.0 . 5.50 1436 1267 A 102 TYR HBx A 105 GLY H 1.0 . 5.50 1437 1268 A 103 LEU HBx A 105 GLY H 1.0 . 5.50 1438 1269 A 92 THR H A 91 ASN HD2x 1.0 . 5.30 1439 1270 A 92 THR H A 101 ARG HDy 1.0 . 5.50 1440 1271 A 84 GLN HBy A 88 SER H 1.0 . 5.50 1441 1272 A 90 GLU HBy A 88 SER H 1.0 . 5.27 1442 1273 A 94 SER H A 89 LEU HBx 1.0 . 5.29 1443 1274 A 93 GLY H A 97 GLU HGx 1.0 . 5.50 1444 1274 A 97 GLU HGy A 93 GLY H 1.0 . 5.50 1445 1275 A 91 ASN HBx A 93 GLY H 1.0 . 5.50 1446 1276 A 88 SER HA A 91 ASN HD2y 1.0 . 5.50 1447 1277 A 82 PRO HDx A 74 GLN HE2x 1.0 . 5.33 1448 1278 A 71 GLU HGy A 75 ASN HD2x 1.0 . 5.50 1449 1279 A 72 THR HG2% A 75 ASN HD2y 1.0 . 5.50 1450 1280 A 80 LEU HDx% A 84 GLN HE2x 1.0 . 5.50 1451 1281 A 110 PHE HA A 84 GLN HE2x 1.0 . 5.33 1452 1282 A 102 TYR HBy A 104 ARG H 1.0 . 5.11 1453 1283 A 104 ARG H A 102 TYR HBx 1.0 . 5.50 1454 1284 A 104 ARG H A 106 ASP HBx 1.0 . 5.09 1455 1284 A 106 ASP HBy A 104 ARG H 1.0 . 5.09 1456 1285 A 74 GLN HBy A 76 LEU H 1.0 . 5.34 1457 1286 A 92 THR H A 89 LEU H 1.0 . 5.04 1458 1287 A 72 THR HG2% A 73 VAL H 1.0 . 3.78 1459 1288 A 73 VAL H A 95 VAL HGx% 1.0 . 4.06 1460 1289 A 73 VAL H A 89 LEU HDx% 1.0 . 4.91 1461 1290 A 73 VAL H A 89 LEU HDy% 1.0 . 4.91 1462 1291 A 102 TYR H A 77 ALA HB% 1.0 . 5.50 1463 1292 A 90 GLU H A 92 THR HG2% 1.0 . 5.27 1464 1293 A 101 ARG HDy A 99 VAL H 1.0 . 5.50 1465 1294 A 101 ARG HDx A 99 VAL H 1.0 . 5.46 1466 1295 A 101 ARG HDx A 100 GLU H 1.0 . 5.48 1467 1296 A 107 GLU HA A 109 SER H 1.0 . 5.50 1468 1297 A 109 SER H A 107 GLU HBx 1.0 . 5.44 1469 1297 A 107 GLU HBy A 109 SER H 1.0 . 5.44 1470 1298 A 102 TYR HD% A 106 ASP H 1.0 . 5.50 1471 1299 A 87 TYR HBx A 110 PHE H 1.0 . 5.50 1472 1300 A 103 LEU H A 108 PHE HE% 1.0 . 5.39 1473 1301 A 110 PHE HD% A 110 PHE H 1.0 . 3.19 1474 1302 A 90 GLU H A 91 ASN HD2y 1.0 . 5.50 1475 1303 A 80 LEU HDy% A 79 ASN HD2y 1.0 . 5.50 1476 1304 A 52 ALA HB% A 53 LEU HDy% 1.0 . 4.41 1477 1304 A 52 ALA HB% A 53 LEU HDx% 1.0 . 4.41 1478 1305 A 53 LEU H A 53 LEU HBx 1.0 . 3.24 1479 1305 A 53 LEU H A 53 LEU HBy 1.0 . 3.24 1480 1306 A 53 LEU H A 53 LEU HDy% 1.0 . 4.61 1481 1306 A 53 LEU H A 53 LEU HDx% 1.0 . 4.61 1482 1307 A 54 ARG H A 53 LEU HBx 1.0 . 3.90 1483 1307 A 54 ARG H A 53 LEU HBy 1.0 . 3.90 1484 1308 A 53 LEU HBy A 54 ARG HBx 1.0 . 4.66 1485 1308 A 53 LEU HBx A 54 ARG HBx 1.0 . 4.66 1486 1308 A 54 ARG HBy A 53 LEU HBx 1.0 . 4.66 1487 1308 A 54 ARG HBy A 53 LEU HBy 1.0 . 4.66 1488 1309 A 54 ARG H A 53 LEU HDy% 1.0 . 4.73 1489 1309 A 54 ARG H A 53 LEU HDx% 1.0 . 4.73 1490 1310 A 54 ARG HA A 53 LEU HDy% 1.0 . 5.23 1491 1310 A 54 ARG HA A 53 LEU HDx% 1.0 . 5.23 1492 1311 A 53 LEU HDy% A 54 ARG HBx 1.0 . 3.90 1493 1311 A 53 LEU HDx% A 54 ARG HBx 1.0 . 3.90 1494 1311 A 54 ARG HBy A 53 LEU HDy% 1.0 . 3.90 1495 1311 A 54 ARG HBy A 53 LEU HDx% 1.0 . 3.90 1496 1312 A 63 HIS H A 62 GLY HAy 1.0 . 2.96 1497 1312 A 63 HIS H A 62 GLY HAx 1.0 . 2.96 1498 1313 A 90 GLU HA A 62 GLY HAy 1.0 . 4.64 1499 1313 A 90 GLU HA A 62 GLY HAx 1.0 . 4.64 1500 1314 A 90 GLU HBx A 62 GLY HAy 1.0 . 5.34 1501 1314 A 90 GLU HBx A 62 GLY HAx 1.0 . 5.34 1502 1315 A 63 HIS H A 63 HIS HBx 1.0 . 2.99 1503 1315 A 63 HIS H A 63 HIS HBy 1.0 . 2.99 1504 1316 A 63 HIS H A 65 VAL HGy% 1.0 . 5.16 1505 1316 A 63 HIS H A 65 VAL HGx% 1.0 . 5.16 1506 1317 A 63 HIS H A 90 GLU HGy 1.0 . 4.68 1507 1317 A 63 HIS H A 90 GLU HGx 1.0 . 4.68 1508 1318 A 63 HIS H A 93 GLY HAy 1.0 . 5.05 1509 1318 A 63 HIS H A 93 GLY HAx 1.0 . 5.05 1510 1319 A 63 HIS HA A 64 PRO HDx 1.0 . 2.90 1511 1319 A 63 HIS HA A 64 PRO HDy 1.0 . 2.90 1512 1320 A 63 HIS HD2 A 63 HIS HBx 1.0 . 3.34 1513 1320 A 63 HIS HD2 A 63 HIS HBy 1.0 . 3.34 1514 1321 A 63 HIS HBx A 64 PRO HDx 1.0 . 3.44 1515 1321 A 63 HIS HBy A 64 PRO HDx 1.0 . 3.44 1516 1321 A 64 PRO HDy A 63 HIS HBx 1.0 . 3.44 1517 1321 A 63 HIS HBy A 64 PRO HDy 1.0 . 3.44 1518 1322 A 63 HIS HBx A 65 VAL HGy% 1.0 . 4.40 1519 1322 A 63 HIS HBy A 65 VAL HGy% 1.0 . 4.40 1520 1322 A 65 VAL HGx% A 63 HIS HBx 1.0 . 4.40 1521 1322 A 63 HIS HBy A 65 VAL HGx% 1.0 . 4.40 1522 1323 A 69 MET HE% A 63 HIS HBx 1.0 . 4.83 1523 1323 A 69 MET HE% A 63 HIS HBy 1.0 . 4.83 1524 1324 A 90 GLU HA A 63 HIS HBx 1.0 . 3.84 1525 1324 A 90 GLU HA A 63 HIS HBy 1.0 . 3.84 1526 1325 A 91 ASN H A 63 HIS HBx 1.0 . 5.34 1527 1325 A 91 ASN H A 63 HIS HBy 1.0 . 5.34 1528 1326 A 92 THR H A 63 HIS HBx 1.0 . 5.34 1529 1326 A 92 THR H A 63 HIS HBy 1.0 . 5.34 1530 1327 A 93 GLY H A 63 HIS HBx 1.0 . 4.00 1531 1327 A 93 GLY H A 63 HIS HBy 1.0 . 4.00 1532 1328 A 63 HIS HBx A 93 GLY HAy 1.0 . 3.38 1533 1328 A 63 HIS HBy A 93 GLY HAy 1.0 . 3.38 1534 1328 A 93 GLY HAx A 63 HIS HBx 1.0 . 3.38 1535 1328 A 63 HIS HBy A 93 GLY HAx 1.0 . 3.38 1536 1329 A 63 HIS HD2 A 93 GLY HAy 1.0 . 4.06 1537 1329 A 63 HIS HD2 A 93 GLY HAx 1.0 . 4.06 1538 1330 A 64 PRO HA A 65 VAL HGy% 1.0 . 4.08 1539 1330 A 64 PRO HA A 65 VAL HGx% 1.0 . 4.08 1540 1331 A 65 VAL H A 64 PRO HGy 1.0 . 5.03 1541 1331 A 65 VAL H A 64 PRO HGx 1.0 . 5.03 1542 1332 A 65 VAL H A 65 VAL HGy% 1.0 . 2.89 1543 1332 A 65 VAL H A 65 VAL HGx% 1.0 . 2.89 1544 1333 A 65 VAL H A 90 GLU HGy 1.0 . 5.03 1545 1333 A 65 VAL H A 90 GLU HGx 1.0 . 5.03 1546 1334 A 65 VAL HA A 69 MET HBx 1.0 . 4.18 1547 1334 A 65 VAL HA A 69 MET HBy 1.0 . 4.18 1548 1335 A 66 THR H A 65 VAL HGy% 1.0 . 3.18 1549 1335 A 66 THR H A 65 VAL HGx% 1.0 . 3.18 1550 1336 A 65 VAL HGx% A 69 MET HBx 1.0 . 3.56 1551 1336 A 65 VAL HGy% A 69 MET HBx 1.0 . 3.56 1552 1336 A 69 MET HBy A 65 VAL HGy% 1.0 . 3.56 1553 1336 A 65 VAL HGx% A 69 MET HBy 1.0 . 3.56 1554 1337 A 65 VAL HGx% A 69 MET HGx 1.0 . 4.62 1555 1337 A 69 MET HGy A 65 VAL HGy% 1.0 . 4.62 1556 1337 A 65 VAL HGx% A 69 MET HGy 1.0 . 4.62 1557 1337 A 65 VAL HGy% A 69 MET HGx 1.0 . 4.62 1558 1338 A 69 MET HE% A 65 VAL HGy% 1.0 . 3.50 1559 1338 A 69 MET HE% A 65 VAL HGx% 1.0 . 3.50 1560 1339 A 70 VAL H A 65 VAL HGy% 1.0 . 4.62 1561 1339 A 70 VAL H A 65 VAL HGx% 1.0 . 4.62 1562 1340 A 70 VAL HA A 65 VAL HGy% 1.0 . 5.44 1563 1340 A 70 VAL HA A 65 VAL HGx% 1.0 . 5.44 1564 1341 A 86 ARG HA A 65 VAL HGy% 1.0 . 3.50 1565 1341 A 86 ARG HA A 65 VAL HGx% 1.0 . 3.50 1566 1342 A 65 VAL HGx% A 86 ARG HBx 1.0 . 4.56 1567 1342 A 65 VAL HGy% A 86 ARG HBx 1.0 . 4.56 1568 1342 A 86 ARG HBy A 65 VAL HGy% 1.0 . 4.56 1569 1342 A 86 ARG HBy A 65 VAL HGx% 1.0 . 4.56 1570 1343 A 65 VAL HGx% A 86 ARG HGx 1.0 . 3.50 1571 1343 A 86 ARG HGy A 65 VAL HGy% 1.0 . 3.50 1572 1343 A 86 ARG HGy A 65 VAL HGx% 1.0 . 3.50 1573 1343 A 65 VAL HGy% A 86 ARG HGx 1.0 . 3.50 1574 1344 A 65 VAL HGy% A 86 ARG HDx 1.0 . 5.44 1575 1344 A 86 ARG HDy A 65 VAL HGy% 1.0 . 5.44 1576 1344 A 86 ARG HDy A 65 VAL HGx% 1.0 . 5.44 1577 1344 A 65 VAL HGx% A 86 ARG HDx 1.0 . 5.44 1578 1345 A 89 LEU H A 65 VAL HGy% 1.0 . 4.27 1579 1345 A 89 LEU H A 65 VAL HGx% 1.0 . 4.27 1580 1346 A 89 LEU HA A 65 VAL HGy% 1.0 . 4.25 1581 1346 A 89 LEU HA A 65 VAL HGx% 1.0 . 4.25 1582 1347 A 89 LEU HBx A 65 VAL HGy% 1.0 . 3.00 1583 1347 A 89 LEU HBx A 65 VAL HGx% 1.0 . 3.00 1584 1348 A 89 LEU HG A 65 VAL HGy% 1.0 . 4.16 1585 1348 A 89 LEU HG A 65 VAL HGx% 1.0 . 4.16 1586 1349 A 65 VAL HGx% A 89 LEU HDy% 1.0 . 3.01 1587 1349 A 65 VAL HGy% A 89 LEU HDy% 1.0 . 3.01 1588 1349 A 89 LEU HDx% A 65 VAL HGy% 1.0 . 3.01 1589 1349 A 65 VAL HGx% A 89 LEU HDx% 1.0 . 3.01 1590 1350 A 90 GLU H A 65 VAL HGy% 1.0 . 3.12 1591 1350 A 90 GLU H A 65 VAL HGx% 1.0 . 3.12 1592 1351 A 90 GLU HA A 65 VAL HGy% 1.0 . 3.36 1593 1351 A 90 GLU HA A 65 VAL HGx% 1.0 . 3.36 1594 1352 A 90 GLU HBy A 65 VAL HGy% 1.0 . 4.76 1595 1352 A 90 GLU HBy A 65 VAL HGx% 1.0 . 4.76 1596 1353 A 65 VAL HGy% A 90 GLU HGy 1.0 . 3.30 1597 1353 A 90 GLU HGx A 65 VAL HGy% 1.0 . 3.30 1598 1353 A 65 VAL HGx% A 90 GLU HGx 1.0 . 3.30 1599 1353 A 65 VAL HGx% A 90 GLU HGy 1.0 . 3.30 1600 1354 A 91 ASN H A 65 VAL HGy% 1.0 . 4.78 1601 1354 A 91 ASN H A 65 VAL HGx% 1.0 . 4.78 1602 1355 A 93 GLY H A 65 VAL HGy% 1.0 . 4.44 1603 1355 A 93 GLY H A 65 VAL HGx% 1.0 . 4.44 1604 1356 A 94 SER H A 65 VAL HGy% 1.0 . 5.44 1605 1356 A 94 SER H A 65 VAL HGx% 1.0 . 5.44 1606 1357 A 66 THR H A 69 MET HBx 1.0 . 2.99 1607 1357 A 66 THR H A 69 MET HBy 1.0 . 2.99 1608 1358 A 66 THR H A 69 MET HGx 1.0 . 3.50 1609 1358 A 66 THR H A 69 MET HGy 1.0 . 3.50 1610 1359 A 66 THR H A 70 VAL HGy% 1.0 . 5.04 1611 1359 A 66 THR H A 70 VAL HGx% 1.0 . 5.04 1612 1360 A 66 THR H A 89 LEU HDy% 1.0 . 4.19 1613 1360 A 66 THR H A 89 LEU HDx% 1.0 . 4.19 1614 1361 A 66 THR H A 95 VAL HGy% 1.0 . 5.44 1615 1361 A 66 THR H A 95 VAL HGx% 1.0 . 5.44 1616 1362 A 66 THR HB A 68 GLN HE2y 1.0 . 2.59 1617 1362 A 66 THR HB A 68 GLN HE2x 1.0 . 2.59 1618 1363 A 66 THR HB A 69 MET HGx 1.0 . 4.75 1619 1363 A 66 THR HB A 69 MET HGy 1.0 . 4.75 1620 1364 A 66 THR HG2% A 69 MET HGx 1.0 . 4.70 1621 1364 A 66 THR HG2% A 69 MET HGy 1.0 . 4.70 1622 1365 A 67 THR H A 68 GLN HE2y 1.0 . 5.17 1623 1365 A 67 THR H A 68 GLN HE2x 1.0 . 5.17 1624 1366 A 67 THR H A 70 VAL HGy% 1.0 . 5.06 1625 1366 A 67 THR H A 70 VAL HGx% 1.0 . 5.06 1626 1367 A 67 THR HA A 70 VAL HGy% 1.0 . 3.59 1627 1367 A 67 THR HA A 70 VAL HGx% 1.0 . 3.59 1628 1368 A 67 THR HB A 68 GLN HE2y 1.0 . 4.75 1629 1368 A 67 THR HB A 68 GLN HE2x 1.0 . 4.75 1630 1369 A 67 THR HG2% A 70 VAL HGy% 1.0 . 3.88 1631 1369 A 67 THR HG2% A 70 VAL HGx% 1.0 . 3.88 1632 1370 A 68 GLN H A 68 GLN HE2y 1.0 . 3.85 1633 1370 A 68 GLN H A 68 GLN HE2x 1.0 . 3.85 1634 1371 A 68 GLN H A 69 MET HBx 1.0 . 4.88 1635 1371 A 68 GLN H A 69 MET HBy 1.0 . 4.88 1636 1372 A 68 GLN H A 69 MET HGx 1.0 . 4.69 1637 1372 A 68 GLN H A 69 MET HGy 1.0 . 4.69 1638 1373 A 68 GLN H A 70 VAL HGy% 1.0 . 5.15 1639 1373 A 68 GLN H A 70 VAL HGx% 1.0 . 5.15 1640 1374 A 68 GLN HA A 68 GLN HE2y 1.0 . 5.34 1641 1374 A 68 GLN HA A 68 GLN HE2x 1.0 . 5.34 1642 1375 A 68 GLN HBx A 68 GLN HE2x 1.0 . 4.64 1643 1375 A 68 GLN HBx A 68 GLN HE2y 1.0 . 4.64 1644 1376 A 68 GLN HE2y A 68 GLN HGx 1.0 . 3.32 1645 1376 A 68 GLN HGy A 68 GLN HE2y 1.0 . 3.32 1646 1376 A 68 GLN HGy A 68 GLN HE2x 1.0 . 3.32 1647 1376 A 68 GLN HE2x A 68 GLN HGx 1.0 . 3.32 1648 1377 A 68 GLN HGx A 69 MET HBx 1.0 . 3.72 1649 1377 A 68 GLN HGy A 69 MET HBx 1.0 . 3.72 1650 1377 A 69 MET HBy A 68 GLN HGx 1.0 . 3.72 1651 1377 A 68 GLN HGy A 69 MET HBy 1.0 . 3.72 1652 1378 A 68 GLN HGy A 70 VAL HGy% 1.0 . 5.44 1653 1378 A 68 GLN HGx A 70 VAL HGy% 1.0 . 5.44 1654 1378 A 70 VAL HGx% A 68 GLN HGx 1.0 . 5.44 1655 1378 A 68 GLN HGy A 70 VAL HGx% 1.0 . 5.44 1656 1379 A 69 MET H A 69 MET HBx 1.0 . 2.70 1657 1379 A 69 MET H A 69 MET HBy 1.0 . 2.70 1658 1380 A 69 MET H A 69 MET HGx 1.0 . 2.77 1659 1380 A 69 MET H A 69 MET HGy 1.0 . 2.77 1660 1381 A 69 MET H A 70 VAL HGy% 1.0 . 5.25 1661 1381 A 69 MET H A 70 VAL HGx% 1.0 . 5.25 1662 1382 A 69 MET H A 89 LEU HDy% 1.0 . 4.42 1663 1382 A 69 MET H A 89 LEU HDx% 1.0 . 4.42 1664 1383 A 69 MET H A 95 VAL HGy% 1.0 . 4.84 1665 1383 A 69 MET H A 95 VAL HGx% 1.0 . 4.84 1666 1384 A 69 MET HA A 69 MET HGx 1.0 . 3.37 1667 1384 A 69 MET HA A 69 MET HGy 1.0 . 3.37 1668 1385 A 69 MET HA A 89 LEU HDy% 1.0 . 4.55 1669 1385 A 69 MET HA A 89 LEU HDx% 1.0 . 4.55 1670 1386 A 69 MET HA A 95 VAL HGy% 1.0 . 3.56 1671 1386 A 69 MET HA A 95 VAL HGx% 1.0 . 3.56 1672 1387 A 70 VAL H A 69 MET HBx 1.0 . 2.97 1673 1387 A 70 VAL H A 69 MET HBy 1.0 . 2.97 1674 1388 A 69 MET HBx A 70 VAL HGy% 1.0 . 4.51 1675 1388 A 69 MET HBy A 70 VAL HGy% 1.0 . 4.51 1676 1388 A 70 VAL HGx% A 69 MET HBx 1.0 . 4.51 1677 1388 A 69 MET HBy A 70 VAL HGx% 1.0 . 4.51 1678 1389 A 72 THR HB A 69 MET HBx 1.0 . 5.34 1679 1389 A 72 THR HB A 69 MET HBy 1.0 . 5.34 1680 1390 A 69 MET HBx A 89 LEU HDy% 1.0 . 3.09 1681 1390 A 69 MET HBy A 89 LEU HDy% 1.0 . 3.09 1682 1390 A 89 LEU HDx% A 69 MET HBx 1.0 . 3.09 1683 1390 A 69 MET HBy A 89 LEU HDx% 1.0 . 3.09 1684 1391 A 69 MET HBx A 95 VAL HGy% 1.0 . 3.47 1685 1391 A 69 MET HBy A 95 VAL HGy% 1.0 . 3.47 1686 1391 A 95 VAL HGx% A 69 MET HBx 1.0 . 3.47 1687 1391 A 69 MET HBy A 95 VAL HGx% 1.0 . 3.47 1688 1392 A 69 MET HE% A 69 MET HGx 1.0 . 3.09 1689 1392 A 69 MET HE% A 69 MET HGy 1.0 . 3.09 1690 1393 A 70 VAL H A 69 MET HGx 1.0 . 4.41 1691 1393 A 70 VAL H A 69 MET HGy 1.0 . 4.41 1692 1394 A 72 THR HG2% A 69 MET HGx 1.0 . 5.34 1693 1394 A 72 THR HG2% A 69 MET HGy 1.0 . 5.34 1694 1395 A 89 LEU HBx A 69 MET HGx 1.0 . 5.34 1695 1395 A 89 LEU HBx A 69 MET HGy 1.0 . 5.34 1696 1396 A 69 MET HGx A 89 LEU HDy% 1.0 . 4.29 1697 1396 A 69 MET HGy A 89 LEU HDy% 1.0 . 4.29 1698 1396 A 89 LEU HDx% A 69 MET HGx 1.0 . 4.29 1699 1396 A 69 MET HGy A 89 LEU HDx% 1.0 . 4.29 1700 1397 A 95 VAL H A 69 MET HGx 1.0 . 5.02 1701 1397 A 95 VAL H A 69 MET HGy 1.0 . 5.02 1702 1398 A 69 MET HGx A 95 VAL HGy% 1.0 . 3.31 1703 1398 A 69 MET HGy A 95 VAL HGy% 1.0 . 3.31 1704 1398 A 95 VAL HGx% A 69 MET HGx 1.0 . 3.31 1705 1398 A 69 MET HGy A 95 VAL HGx% 1.0 . 3.31 1706 1399 A 69 MET HE% A 89 LEU HDy% 1.0 . 3.06 1707 1399 A 69 MET HE% A 89 LEU HDx% 1.0 . 3.06 1708 1400 A 69 MET HE% A 93 GLY HAy 1.0 . 4.00 1709 1400 A 69 MET HE% A 93 GLY HAx 1.0 . 4.00 1710 1401 A 69 MET HE% A 94 SER HBx 1.0 . 4.82 1711 1401 A 69 MET HE% A 94 SER HBy 1.0 . 4.82 1712 1402 A 69 MET HE% A 95 VAL HGy% 1.0 . 3.14 1713 1402 A 69 MET HE% A 95 VAL HGx% 1.0 . 3.14 1714 1403 A 70 VAL H A 70 VAL HGy% 1.0 . 2.58 1715 1403 A 70 VAL H A 70 VAL HGx% 1.0 . 2.58 1716 1404 A 70 VAL H A 73 VAL HGy% 1.0 . 5.24 1717 1404 A 70 VAL H A 73 VAL HGx% 1.0 . 5.24 1718 1405 A 70 VAL H A 89 LEU HDy% 1.0 . 3.59 1719 1405 A 70 VAL H A 89 LEU HDx% 1.0 . 3.59 1720 1406 A 70 VAL H A 95 VAL HGy% 1.0 . 5.44 1721 1406 A 70 VAL H A 95 VAL HGx% 1.0 . 5.44 1722 1407 A 70 VAL HA A 73 VAL HGy% 1.0 . 3.56 1723 1407 A 70 VAL HA A 73 VAL HGx% 1.0 . 3.56 1724 1408 A 70 VAL HA A 89 LEU HDy% 1.0 . 3.51 1725 1408 A 70 VAL HA A 89 LEU HDx% 1.0 . 3.51 1726 1409 A 71 GLU H A 70 VAL HGy% 1.0 . 3.59 1727 1409 A 71 GLU H A 70 VAL HGx% 1.0 . 3.59 1728 1410 A 71 GLU HA A 70 VAL HGy% 1.0 . 4.30 1729 1410 A 71 GLU HA A 70 VAL HGx% 1.0 . 4.30 1730 1411 A 71 GLU HGy A 70 VAL HGy% 1.0 . 4.82 1731 1411 A 71 GLU HGy A 70 VAL HGx% 1.0 . 4.82 1732 1412 A 72 THR H A 70 VAL HGy% 1.0 . 5.33 1733 1412 A 72 THR H A 70 VAL HGx% 1.0 . 5.33 1734 1413 A 74 GLN HBy A 70 VAL HGy% 1.0 . 4.66 1735 1413 A 74 GLN HBy A 70 VAL HGx% 1.0 . 4.66 1736 1414 A 82 PRO HA A 70 VAL HGy% 1.0 . 3.80 1737 1414 A 82 PRO HA A 70 VAL HGx% 1.0 . 3.80 1738 1415 A 83 GLU H A 70 VAL HGy% 1.0 . 5.44 1739 1415 A 83 GLU H A 70 VAL HGx% 1.0 . 5.44 1740 1416 A 85 ILE H A 70 VAL HGy% 1.0 . 4.52 1741 1416 A 85 ILE H A 70 VAL HGx% 1.0 . 4.52 1742 1417 A 85 ILE HB A 70 VAL HGy% 1.0 . 3.40 1743 1417 A 85 ILE HB A 70 VAL HGx% 1.0 . 3.40 1744 1418 A 85 ILE HG1x A 70 VAL HGy% 1.0 . 4.95 1745 1418 A 85 ILE HG1x A 70 VAL HGx% 1.0 . 4.95 1746 1419 A 85 ILE HG1y A 70 VAL HGy% 1.0 . 4.56 1747 1419 A 85 ILE HG1y A 70 VAL HGx% 1.0 . 4.56 1748 1420 A 85 ILE HD1% A 70 VAL HGy% 1.0 . 3.30 1749 1420 A 85 ILE HD1% A 70 VAL HGx% 1.0 . 3.30 1750 1421 A 86 ARG H A 70 VAL HGy% 1.0 . 3.45 1751 1421 A 86 ARG H A 70 VAL HGx% 1.0 . 3.45 1752 1422 A 86 ARG HA A 70 VAL HGy% 1.0 . 3.86 1753 1422 A 86 ARG HA A 70 VAL HGx% 1.0 . 3.86 1754 1423 A 70 VAL HGy% A 86 ARG HBx 1.0 . 3.88 1755 1423 A 70 VAL HGx% A 86 ARG HBx 1.0 . 3.88 1756 1423 A 86 ARG HBy A 70 VAL HGy% 1.0 . 3.88 1757 1423 A 86 ARG HBy A 70 VAL HGx% 1.0 . 3.88 1758 1424 A 70 VAL HGy% A 86 ARG HGx 1.0 . 4.62 1759 1424 A 70 VAL HGx% A 86 ARG HGx 1.0 . 4.62 1760 1424 A 86 ARG HGy A 70 VAL HGy% 1.0 . 4.62 1761 1424 A 86 ARG HGy A 70 VAL HGx% 1.0 . 4.62 1762 1425 A 87 TYR H A 70 VAL HGy% 1.0 . 5.44 1763 1425 A 87 TYR H A 70 VAL HGx% 1.0 . 5.44 1764 1426 A 70 VAL HGy% A 89 LEU HDy% 1.0 . 3.37 1765 1426 A 70 VAL HGx% A 89 LEU HDy% 1.0 . 3.37 1766 1426 A 89 LEU HDx% A 70 VAL HGy% 1.0 . 3.37 1767 1426 A 89 LEU HDx% A 70 VAL HGx% 1.0 . 3.37 1768 1427 A 71 GLU H A 73 VAL HGy% 1.0 . 5.44 1769 1427 A 71 GLU H A 73 VAL HGx% 1.0 . 5.44 1770 1428 A 71 GLU H A 89 LEU HDy% 1.0 . 4.60 1771 1428 A 71 GLU H A 89 LEU HDx% 1.0 . 4.60 1772 1429 A 71 GLU H A 95 VAL HGy% 1.0 . 5.44 1773 1429 A 71 GLU H A 95 VAL HGx% 1.0 . 5.44 1774 1430 A 72 THR H A 73 VAL HGy% 1.0 . 4.73 1775 1430 A 72 THR H A 73 VAL HGx% 1.0 . 4.73 1776 1431 A 72 THR H A 95 VAL HGy% 1.0 . 4.75 1777 1431 A 72 THR H A 95 VAL HGx% 1.0 . 4.75 1778 1432 A 72 THR HB A 73 VAL HGy% 1.0 . 4.17 1779 1432 A 72 THR HB A 73 VAL HGx% 1.0 . 4.17 1780 1433 A 72 THR HB A 89 LEU HDy% 1.0 . 5.13 1781 1433 A 72 THR HB A 89 LEU HDx% 1.0 . 5.13 1782 1434 A 72 THR HG2% A 76 LEU HDy% 1.0 . 3.21 1783 1434 A 72 THR HG2% A 76 LEU HDx% 1.0 . 3.21 1784 1435 A 72 THR HG2% A 95 VAL HGy% 1.0 . 2.71 1785 1435 A 72 THR HG2% A 95 VAL HGx% 1.0 . 2.71 1786 1436 A 73 VAL H A 73 VAL HGy% 1.0 . 2.65 1787 1436 A 73 VAL H A 73 VAL HGx% 1.0 . 2.65 1788 1437 A 73 VAL H A 76 LEU HDy% 1.0 . 4.91 1789 1437 A 73 VAL H A 76 LEU HDx% 1.0 . 4.91 1790 1438 A 73 VAL H A 89 LEU HDy% 1.0 . 4.24 1791 1438 A 73 VAL H A 89 LEU HDx% 1.0 . 4.24 1792 1439 A 73 VAL H A 95 VAL HGy% 1.0 . 3.45 1793 1439 A 73 VAL H A 95 VAL HGx% 1.0 . 3.45 1794 1440 A 73 VAL HA A 76 LEU HDy% 1.0 . 4.25 1795 1440 A 73 VAL HA A 76 LEU HDx% 1.0 . 4.25 1796 1441 A 73 VAL HA A 95 VAL HGy% 1.0 . 3.55 1797 1441 A 73 VAL HA A 95 VAL HGx% 1.0 . 3.55 1798 1442 A 73 VAL HA A 99 VAL HGy% 1.0 . 3.53 1799 1442 A 73 VAL HA A 99 VAL HGx% 1.0 . 3.53 1800 1443 A 73 VAL HB A 95 VAL HGy% 1.0 . 4.20 1801 1443 A 73 VAL HB A 95 VAL HGx% 1.0 . 4.20 1802 1444 A 74 GLN H A 73 VAL HGy% 1.0 . 3.55 1803 1444 A 74 GLN H A 73 VAL HGx% 1.0 . 3.55 1804 1445 A 74 GLN HA A 73 VAL HGy% 1.0 . 4.37 1805 1445 A 74 GLN HA A 73 VAL HGx% 1.0 . 4.37 1806 1446 A 74 GLN HBx A 73 VAL HGy% 1.0 . 4.50 1807 1446 A 74 GLN HBx A 73 VAL HGx% 1.0 . 4.50 1808 1447 A 76 LEU H A 73 VAL HGy% 1.0 . 4.76 1809 1447 A 76 LEU H A 73 VAL HGx% 1.0 . 4.76 1810 1448 A 76 LEU HBy A 73 VAL HGy% 1.0 . 4.46 1811 1448 A 76 LEU HBy A 73 VAL HGx% 1.0 . 4.46 1812 1449 A 76 LEU HG A 73 VAL HGy% 1.0 . 5.44 1813 1449 A 76 LEU HG A 73 VAL HGx% 1.0 . 5.44 1814 1450 A 77 ALA H A 73 VAL HGy% 1.0 . 3.77 1815 1450 A 77 ALA H A 73 VAL HGx% 1.0 . 3.77 1816 1451 A 77 ALA HB% A 73 VAL HGy% 1.0 . 3.37 1817 1451 A 77 ALA HB% A 73 VAL HGx% 1.0 . 3.37 1818 1452 A 80 LEU HBy A 73 VAL HGy% 1.0 . 4.41 1819 1452 A 80 LEU HBy A 73 VAL HGx% 1.0 . 4.41 1820 1453 A 80 LEU HDx% A 73 VAL HGy% 1.0 . 3.64 1821 1453 A 80 LEU HDx% A 73 VAL HGx% 1.0 . 3.64 1822 1454 A 85 ILE HB A 73 VAL HGy% 1.0 . 5.44 1823 1454 A 85 ILE HB A 73 VAL HGx% 1.0 . 5.44 1824 1455 A 85 ILE HG1x A 73 VAL HGy% 1.0 . 3.26 1825 1455 A 85 ILE HG1x A 73 VAL HGx% 1.0 . 3.26 1826 1456 A 85 ILE HG1y A 73 VAL HGy% 1.0 . 4.65 1827 1456 A 85 ILE HG1y A 73 VAL HGx% 1.0 . 4.65 1828 1457 A 85 ILE HD1% A 73 VAL HGy% 1.0 . 3.36 1829 1457 A 85 ILE HD1% A 73 VAL HGx% 1.0 . 3.36 1830 1458 A 89 LEU H A 73 VAL HGy% 1.0 . 5.20 1831 1458 A 89 LEU H A 73 VAL HGx% 1.0 . 5.20 1832 1459 A 89 LEU HG A 73 VAL HGy% 1.0 . 4.44 1833 1459 A 89 LEU HG A 73 VAL HGx% 1.0 . 4.44 1834 1460 A 73 VAL HGx% A 89 LEU HDy% 1.0 . 2.71 1835 1460 A 73 VAL HGy% A 89 LEU HDy% 1.0 . 2.71 1836 1460 A 89 LEU HDx% A 73 VAL HGy% 1.0 . 2.71 1837 1460 A 89 LEU HDx% A 73 VAL HGx% 1.0 . 2.71 1838 1461 A 95 VAL HB A 73 VAL HGy% 1.0 . 5.44 1839 1461 A 95 VAL HB A 73 VAL HGx% 1.0 . 5.44 1840 1462 A 73 VAL HGy% A 95 VAL HGy% 1.0 . 2.74 1841 1462 A 73 VAL HGx% A 95 VAL HGy% 1.0 . 2.74 1842 1462 A 95 VAL HGx% A 73 VAL HGy% 1.0 . 2.74 1843 1462 A 95 VAL HGx% A 73 VAL HGx% 1.0 . 2.74 1844 1463 A 98 THR H A 73 VAL HGy% 1.0 . 5.23 1845 1463 A 98 THR H A 73 VAL HGx% 1.0 . 5.23 1846 1464 A 98 THR HB A 73 VAL HGy% 1.0 . 4.06 1847 1464 A 98 THR HB A 73 VAL HGx% 1.0 . 4.06 1848 1465 A 99 VAL H A 73 VAL HGy% 1.0 . 4.31 1849 1465 A 99 VAL H A 73 VAL HGx% 1.0 . 4.31 1850 1466 A 99 VAL HA A 73 VAL HGy% 1.0 . 4.63 1851 1466 A 99 VAL HA A 73 VAL HGx% 1.0 . 4.63 1852 1467 A 73 VAL HGx% A 99 VAL HGy% 1.0 . 3.27 1853 1467 A 73 VAL HGy% A 99 VAL HGy% 1.0 . 3.27 1854 1467 A 99 VAL HGx% A 73 VAL HGy% 1.0 . 3.27 1855 1467 A 73 VAL HGx% A 99 VAL HGx% 1.0 . 3.27 1856 1468 A 100 GLU H A 73 VAL HGy% 1.0 . 5.44 1857 1468 A 100 GLU H A 73 VAL HGx% 1.0 . 5.44 1858 1469 A 102 TYR HD% A 73 VAL HGy% 1.0 . 4.81 1859 1469 A 102 TYR HD% A 73 VAL HGx% 1.0 . 4.81 1860 1470 A 108 PHE HE% A 73 VAL HGy% 1.0 . 4.55 1861 1470 A 108 PHE HE% A 73 VAL HGx% 1.0 . 4.55 1862 1471 A 75 ASN H A 76 LEU HDy% 1.0 . 4.56 1863 1471 A 75 ASN H A 76 LEU HDx% 1.0 . 4.56 1864 1472 A 75 ASN HBx A 76 LEU HDy% 1.0 . 4.57 1865 1472 A 75 ASN HBx A 76 LEU HDx% 1.0 . 4.57 1866 1473 A 75 ASN HBy A 76 LEU HDy% 1.0 . 4.57 1867 1473 A 75 ASN HBy A 76 LEU HDx% 1.0 . 4.57 1868 1474 A 75 ASN HD2x A 76 LEU HDy% 1.0 . 4.58 1869 1474 A 75 ASN HD2x A 76 LEU HDx% 1.0 . 4.58 1870 1475 A 75 ASN HD2y A 76 LEU HDy% 1.0 . 5.44 1871 1475 A 75 ASN HD2y A 76 LEU HDx% 1.0 . 5.44 1872 1476 A 76 LEU H A 76 LEU HDy% 1.0 . 3.32 1873 1476 A 76 LEU H A 76 LEU HDx% 1.0 . 3.32 1874 1477 A 76 LEU H A 99 VAL HGy% 1.0 . 4.31 1875 1477 A 76 LEU H A 99 VAL HGx% 1.0 . 4.31 1876 1478 A 76 LEU HA A 76 LEU HDy% 1.0 . 3.71 1877 1478 A 76 LEU HA A 76 LEU HDx% 1.0 . 3.71 1878 1479 A 76 LEU HBy A 95 VAL HGy% 1.0 . 5.01 1879 1479 A 76 LEU HBy A 95 VAL HGx% 1.0 . 5.01 1880 1480 A 76 LEU HBy A 99 VAL HGy% 1.0 . 3.68 1881 1480 A 76 LEU HBy A 99 VAL HGx% 1.0 . 3.68 1882 1481 A 76 LEU HBx A 76 LEU HDy% 1.0 . 3.06 1883 1481 A 76 LEU HBx A 76 LEU HDx% 1.0 . 3.06 1884 1482 A 76 LEU HBx A 99 VAL HGy% 1.0 . 3.42 1885 1482 A 76 LEU HBx A 99 VAL HGx% 1.0 . 3.42 1886 1483 A 76 LEU HG A 95 VAL HGy% 1.0 . 5.14 1887 1483 A 76 LEU HG A 95 VAL HGx% 1.0 . 5.14 1888 1484 A 76 LEU HG A 99 VAL HGy% 1.0 . 4.83 1889 1484 A 76 LEU HG A 99 VAL HGx% 1.0 . 4.83 1890 1485 A 77 ALA H A 76 LEU HDy% 1.0 . 4.52 1891 1485 A 77 ALA H A 76 LEU HDx% 1.0 . 4.52 1892 1486 A 77 ALA HB% A 76 LEU HDy% 1.0 . 5.20 1893 1486 A 77 ALA HB% A 76 LEU HDx% 1.0 . 5.20 1894 1487 A 99 VAL HB A 76 LEU HDy% 1.0 . 4.37 1895 1487 A 99 VAL HB A 76 LEU HDx% 1.0 . 4.37 1896 1488 A 76 LEU HDy% A 99 VAL HGy% 1.0 . 2.99 1897 1488 A 76 LEU HDx% A 99 VAL HGy% 1.0 . 2.99 1898 1488 A 99 VAL HGx% A 76 LEU HDy% 1.0 . 2.99 1899 1488 A 76 LEU HDx% A 99 VAL HGx% 1.0 . 2.99 1900 1489 A 77 ALA H A 99 VAL HGy% 1.0 . 4.36 1901 1489 A 77 ALA H A 99 VAL HGx% 1.0 . 4.36 1902 1490 A 77 ALA HB% A 99 VAL HGy% 1.0 . 3.96 1903 1490 A 77 ALA HB% A 99 VAL HGx% 1.0 . 3.96 1904 1491 A 85 ILE HA A 88 SER HBx 1.0 . 3.96 1905 1491 A 85 ILE HA A 88 SER HBy 1.0 . 3.96 1906 1492 A 85 ILE HG2% A 88 SER HBx 1.0 . 5.19 1907 1492 A 85 ILE HG2% A 88 SER HBy 1.0 . 5.19 1908 1493 A 85 ILE HG1x A 89 LEU HDy% 1.0 . 4.91 1909 1493 A 85 ILE HG1x A 89 LEU HDx% 1.0 . 4.91 1910 1494 A 85 ILE HD1% A 89 LEU HDy% 1.0 . 5.11 1911 1494 A 85 ILE HD1% A 89 LEU HDx% 1.0 . 5.11 1912 1495 A 86 ARG H A 89 LEU HDy% 1.0 . 4.49 1913 1495 A 86 ARG H A 89 LEU HDx% 1.0 . 4.49 1914 1496 A 86 ARG HA A 89 LEU HDy% 1.0 . 3.69 1915 1496 A 86 ARG HA A 89 LEU HDx% 1.0 . 3.69 1916 1497 A 86 ARG HGy A 89 LEU HDy% 1.0 . 4.64 1917 1497 A 86 ARG HGx A 89 LEU HDy% 1.0 . 4.64 1918 1497 A 89 LEU HDx% A 86 ARG HGx 1.0 . 4.64 1919 1497 A 86 ARG HGy A 89 LEU HDx% 1.0 . 4.64 1920 1498 A 86 ARG HGy A 90 GLU HGy 1.0 . 4.68 1921 1498 A 86 ARG HGx A 90 GLU HGy 1.0 . 4.68 1922 1498 A 90 GLU HGx A 86 ARG HGx 1.0 . 4.68 1923 1498 A 86 ARG HGy A 90 GLU HGx 1.0 . 4.68 1924 1499 A 87 TYR H A 88 SER HBx 1.0 . 5.32 1925 1499 A 87 TYR H A 88 SER HBy 1.0 . 5.32 1926 1500 A 87 TYR HD% A 90 GLU HGy 1.0 . 5.34 1927 1500 A 87 TYR HD% A 90 GLU HGx 1.0 . 5.34 1928 1501 A 87 TYR HD% A 109 SER HB3 1.0 . 3.47 1929 1501 A 87 TYR HD% A 109 SER HB2 1.0 . 3.47 1930 1502 A 87 TYR HD% A 112 PRO HGy 1.0 . 4.97 1931 1502 A 87 TYR HD% A 112 PRO HGx 1.0 . 4.97 1932 1503 A 87 TYR HE% A 109 SER HB3 1.0 . 3.20 1933 1503 A 87 TYR HE% A 109 SER HB2 1.0 . 3.20 1934 1504 A 87 TYR HE% A 112 PRO HBx 1.0 . 5.34 1935 1504 A 87 TYR HE% A 112 PRO HBy 1.0 . 5.34 1936 1505 A 87 TYR HE% A 112 PRO HDx 1.0 . 3.35 1937 1505 A 87 TYR HE% A 112 PRO HDy 1.0 . 3.35 1938 1506 A 88 SER H A 88 SER HBx 1.0 . 2.61 1939 1506 A 88 SER H A 88 SER HBy 1.0 . 2.61 1940 1507 A 89 LEU H A 88 SER HBx 1.0 . 3.55 1941 1507 A 89 LEU H A 88 SER HBy 1.0 . 3.55 1942 1508 A 98 THR HG2% A 88 SER HBx 1.0 . 3.81 1943 1508 A 98 THR HG2% A 88 SER HBy 1.0 . 3.81 1944 1509 A 108 PHE HD% A 88 SER HBx 1.0 . 3.88 1945 1509 A 108 PHE HD% A 88 SER HBy 1.0 . 3.88 1946 1510 A 108 PHE HE% A 88 SER HBx 1.0 . 3.65 1947 1510 A 108 PHE HE% A 88 SER HBy 1.0 . 3.65 1948 1511 A 89 LEU H A 89 LEU HDy% 1.0 . 3.70 1949 1511 A 89 LEU H A 89 LEU HDx% 1.0 . 3.70 1950 1512 A 89 LEU H A 90 GLU HGy 1.0 . 5.34 1951 1512 A 89 LEU H A 90 GLU HGx 1.0 . 5.34 1952 1513 A 89 LEU HA A 89 LEU HDy% 1.0 . 2.92 1953 1513 A 89 LEU HA A 89 LEU HDx% 1.0 . 2.92 1954 1514 A 89 LEU HBx A 89 LEU HDy% 1.0 . 2.99 1955 1514 A 89 LEU HBx A 89 LEU HDx% 1.0 . 2.99 1956 1515 A 89 LEU HG A 95 VAL HGy% 1.0 . 5.28 1957 1515 A 89 LEU HG A 95 VAL HGx% 1.0 . 5.28 1958 1516 A 90 GLU H A 89 LEU HDy% 1.0 . 4.66 1959 1516 A 90 GLU H A 89 LEU HDx% 1.0 . 4.66 1960 1517 A 91 ASN H A 89 LEU HDy% 1.0 . 5.44 1961 1517 A 91 ASN H A 89 LEU HDx% 1.0 . 5.44 1962 1518 A 92 THR H A 89 LEU HDy% 1.0 . 5.16 1963 1518 A 92 THR H A 89 LEU HDx% 1.0 . 5.16 1964 1519 A 92 THR HG2% A 89 LEU HDy% 1.0 . 4.29 1965 1519 A 92 THR HG2% A 89 LEU HDx% 1.0 . 4.29 1966 1520 A 93 GLY H A 89 LEU HDy% 1.0 . 4.45 1967 1520 A 93 GLY H A 89 LEU HDx% 1.0 . 4.45 1968 1521 A 94 SER H A 89 LEU HDy% 1.0 . 4.46 1969 1521 A 94 SER H A 89 LEU HDx% 1.0 . 4.46 1970 1522 A 94 SER HA A 89 LEU HDy% 1.0 . 4.93 1971 1522 A 94 SER HA A 89 LEU HDx% 1.0 . 4.93 1972 1523 A 95 VAL H A 89 LEU HDy% 1.0 . 4.12 1973 1523 A 95 VAL H A 89 LEU HDx% 1.0 . 4.12 1974 1524 A 95 VAL HA A 89 LEU HDy% 1.0 . 3.08 1975 1524 A 95 VAL HA A 89 LEU HDx% 1.0 . 3.08 1976 1525 A 95 VAL HB A 89 LEU HDy% 1.0 . 4.18 1977 1525 A 95 VAL HB A 89 LEU HDx% 1.0 . 4.18 1978 1526 A 89 LEU HDx% A 95 VAL HGy% 1.0 . 2.92 1979 1526 A 89 LEU HDy% A 95 VAL HGy% 1.0 . 2.92 1980 1526 A 95 VAL HGx% A 89 LEU HDy% 1.0 . 2.92 1981 1526 A 89 LEU HDx% A 95 VAL HGx% 1.0 . 2.92 1982 1527 A 97 GLU H A 89 LEU HDy% 1.0 . 5.40 1983 1527 A 97 GLU H A 89 LEU HDx% 1.0 . 5.40 1984 1528 A 98 THR H A 89 LEU HDy% 1.0 . 4.05 1985 1528 A 98 THR H A 89 LEU HDx% 1.0 . 4.05 1986 1529 A 98 THR HB A 89 LEU HDy% 1.0 . 3.96 1987 1529 A 98 THR HB A 89 LEU HDx% 1.0 . 3.96 1988 1530 A 98 THR HG2% A 89 LEU HDy% 1.0 . 3.42 1989 1530 A 98 THR HG2% A 89 LEU HDx% 1.0 . 3.42 1990 1531 A 99 VAL H A 89 LEU HDy% 1.0 . 5.44 1991 1531 A 99 VAL H A 89 LEU HDx% 1.0 . 5.44 1992 1532 A 108 PHE HE% A 89 LEU HDy% 1.0 . 5.44 1993 1532 A 108 PHE HE% A 89 LEU HDx% 1.0 . 5.44 1994 1533 A 90 GLU H A 90 GLU HGy 1.0 . 3.37 1995 1533 A 90 GLU H A 90 GLU HGx 1.0 . 3.37 1996 1534 A 90 GLU HA A 90 GLU HGy 1.0 . 3.39 1997 1534 A 90 GLU HA A 90 GLU HGx 1.0 . 3.39 1998 1535 A 92 THR H A 93 GLY HAy 1.0 . 4.60 1999 1535 A 92 THR H A 93 GLY HAx 1.0 . 4.60 2000 1536 A 92 THR HB A 94 SER HBx 1.0 . 4.52 2001 1536 A 92 THR HB A 94 SER HBy 1.0 . 4.52 2002 1537 A 93 GLY H A 93 GLY HAy 1.0 . 2.49 2003 1537 A 93 GLY H A 93 GLY HAx 1.0 . 2.49 2004 1538 A 94 SER H A 94 SER HBx 1.0 . 2.99 2005 1538 A 94 SER H A 94 SER HBy 1.0 . 2.99 2006 1539 A 94 SER HA A 95 VAL HGy% 1.0 . 4.45 2007 1539 A 94 SER HA A 95 VAL HGx% 1.0 . 4.45 2008 1540 A 95 VAL H A 94 SER HBx 1.0 . 3.87 2009 1540 A 95 VAL H A 94 SER HBy 1.0 . 3.87 2010 1541 A 95 VAL HB A 94 SER HBx 1.0 . 5.34 2011 1541 A 95 VAL HB A 94 SER HBy 1.0 . 5.34 2012 1542 A 96 GLU H A 94 SER HBx 1.0 . 4.18 2013 1542 A 96 GLU H A 94 SER HBy 1.0 . 4.18 2014 1543 A 94 SER HBy A 96 GLU HGy 1.0 . 3.57 2015 1543 A 96 GLU HGx A 94 SER HBx 1.0 . 3.57 2016 1543 A 94 SER HBy A 96 GLU HGx 1.0 . 3.57 2017 1543 A 94 SER HBx A 96 GLU HGy 1.0 . 3.57 2018 1544 A 97 GLU H A 94 SER HBx 1.0 . 3.08 2019 1544 A 97 GLU H A 94 SER HBy 1.0 . 3.08 2020 1545 A 97 GLU HBy A 94 SER HBx 1.0 . 3.93 2021 1545 A 97 GLU HBy A 94 SER HBy 1.0 . 3.93 2022 1546 A 97 GLU HBx A 94 SER HBx 1.0 . 3.68 2023 1546 A 97 GLU HBx A 94 SER HBy 1.0 . 3.68 2024 1547 A 94 SER HBy A 97 GLU HGx 1.0 . 4.81 2025 1547 A 97 GLU HGy A 94 SER HBx 1.0 . 4.81 2026 1547 A 97 GLU HGy A 94 SER HBy 1.0 . 4.81 2027 1547 A 94 SER HBx A 97 GLU HGx 1.0 . 4.81 2028 1548 A 98 THR H A 94 SER HBx 1.0 . 4.58 2029 1548 A 98 THR H A 94 SER HBy 1.0 . 4.58 2030 1549 A 95 VAL H A 95 VAL HGy% 1.0 . 2.78 2031 1549 A 95 VAL H A 95 VAL HGx% 1.0 . 2.78 2032 1550 A 95 VAL HA A 95 VAL HGy% 1.0 . 3.06 2033 1550 A 95 VAL HA A 95 VAL HGx% 1.0 . 3.06 2034 1551 A 95 VAL HB A 99 VAL HGy% 1.0 . 5.08 2035 1551 A 95 VAL HB A 99 VAL HGx% 1.0 . 5.08 2036 1552 A 96 GLU H A 95 VAL HGy% 1.0 . 3.33 2037 1552 A 96 GLU H A 95 VAL HGx% 1.0 . 3.33 2038 1553 A 96 GLU HA A 95 VAL HGy% 1.0 . 3.86 2039 1553 A 96 GLU HA A 95 VAL HGx% 1.0 . 3.86 2040 1554 A 95 VAL HGy% A 96 GLU HGy 1.0 . 5.28 2041 1554 A 95 VAL HGx% A 96 GLU HGy 1.0 . 5.28 2042 1554 A 96 GLU HGx A 95 VAL HGy% 1.0 . 5.28 2043 1554 A 95 VAL HGx% A 96 GLU HGx 1.0 . 5.28 2044 1555 A 98 THR HG2% A 95 VAL HGy% 1.0 . 4.46 2045 1555 A 98 THR HG2% A 95 VAL HGx% 1.0 . 4.46 2046 1556 A 99 VAL H A 95 VAL HGy% 1.0 . 3.86 2047 1556 A 99 VAL H A 95 VAL HGx% 1.0 . 3.86 2048 1557 A 95 VAL HGy% A 99 VAL HGy% 1.0 . 2.91 2049 1557 A 95 VAL HGx% A 99 VAL HGy% 1.0 . 2.91 2050 1557 A 99 VAL HGx% A 95 VAL HGy% 1.0 . 2.91 2051 1557 A 95 VAL HGx% A 99 VAL HGx% 1.0 . 2.91 2052 1558 A 96 GLU HA A 99 VAL HGy% 1.0 . 3.99 2053 1558 A 96 GLU HA A 99 VAL HGx% 1.0 . 3.99 2054 1559 A 96 GLU HBx A 99 VAL HGy% 1.0 . 5.44 2055 1559 A 96 GLU HBy A 99 VAL HGy% 1.0 . 5.44 2056 1559 A 99 VAL HGx% A 96 GLU HBx 1.0 . 5.44 2057 1559 A 96 GLU HBy A 99 VAL HGx% 1.0 . 5.44 2058 1560 A 97 GLU H A 96 GLU HGy 1.0 . 3.11 2059 1560 A 97 GLU H A 96 GLU HGx 1.0 . 3.11 2060 1561 A 97 GLU HBy A 96 GLU HGy 1.0 . 4.10 2061 1561 A 97 GLU HBy A 96 GLU HGx 1.0 . 4.10 2062 1562 A 97 GLU H A 99 VAL HGy% 1.0 . 5.44 2063 1562 A 97 GLU H A 99 VAL HGx% 1.0 . 5.44 2064 1563 A 97 GLU HA A 100 GLU HBx 1.0 . 3.36 2065 1563 A 97 GLU HA A 100 GLU HBy 1.0 . 3.36 2066 1564 A 97 GLU HA A 100 GLU HGy 1.0 . 4.50 2067 1564 A 97 GLU HA A 100 GLU HGx 1.0 . 4.50 2068 1565 A 98 THR HB A 99 VAL HGy% 1.0 . 4.33 2069 1565 A 98 THR HB A 99 VAL HGx% 1.0 . 4.33 2070 1566 A 98 THR HG2% A 99 VAL HGy% 1.0 . 3.64 2071 1566 A 98 THR HG2% A 99 VAL HGx% 1.0 . 3.64 2072 1567 A 99 VAL H A 99 VAL HGy% 1.0 . 2.56 2073 1567 A 99 VAL H A 99 VAL HGx% 1.0 . 2.56 2074 1568 A 99 VAL HA A 99 VAL HGy% 1.0 . 2.86 2075 1568 A 99 VAL HA A 99 VAL HGx% 1.0 . 2.86 2076 1569 A 100 GLU H A 99 VAL HGy% 1.0 . 3.45 2077 1569 A 100 GLU H A 99 VAL HGx% 1.0 . 3.45 2078 1570 A 100 GLU HA A 99 VAL HGy% 1.0 . 4.25 2079 1570 A 100 GLU HA A 99 VAL HGx% 1.0 . 4.25 2080 1571 A 99 VAL HGx% A 100 GLU HGy 1.0 . 4.44 2081 1571 A 99 VAL HGy% A 100 GLU HGy 1.0 . 4.44 2082 1571 A 100 GLU HGx A 99 VAL HGy% 1.0 . 4.44 2083 1571 A 99 VAL HGx% A 100 GLU HGx 1.0 . 4.44 2084 1572 A 102 TYR HBy A 99 VAL HGy% 1.0 . 4.86 2085 1572 A 102 TYR HBy A 99 VAL HGx% 1.0 . 4.86 2086 1573 A 102 TYR HD% A 99 VAL HGy% 1.0 . 2.93 2087 1573 A 102 TYR HD% A 99 VAL HGx% 1.0 . 2.93 2088 1574 A 102 TYR HE% A 99 VAL HGy% 1.0 . 3.86 2089 1574 A 102 TYR HE% A 99 VAL HGx% 1.0 . 3.86 2090 1575 A 100 GLU H A 100 GLU HBx 1.0 . 2.44 2091 1575 A 100 GLU H A 100 GLU HBy 1.0 . 2.44 2092 1576 A 100 GLU H A 100 GLU HGy 1.0 . 3.24 2093 1576 A 100 GLU H A 100 GLU HGx 1.0 . 3.24 2094 1577 A 103 LEU HG A 100 GLU HBx 1.0 . 4.61 2095 1577 A 103 LEU HG A 100 GLU HBy 1.0 . 4.61 2096 1578 A 101 ARG HA A 104 ARG HGx 1.0 . 3.51 2097 1578 A 101 ARG HA A 104 ARG HGy 1.0 . 3.51 2098 1579 A 104 ARG H A 104 ARG HGx 1.0 . 3.32 2099 1579 A 104 ARG H A 104 ARG HGy 1.0 . 3.32 2100 1580 A 104 ARG H A 105 GLY HAy 1.0 . 5.26 2101 1580 A 104 ARG H A 105 GLY HAx 1.0 . 5.26 2102 1581 A 104 ARG HA A 104 ARG HGx 1.0 . 3.62 2103 1581 A 104 ARG HA A 104 ARG HGy 1.0 . 3.62 2104 1582 A 104 ARG HA A 105 GLY HAy 1.0 . 4.83 2105 1582 A 104 ARG HA A 105 GLY HAx 1.0 . 4.83 2106 1583 A 104 ARG HE A 104 ARG HGx 1.0 . 3.47 2107 1583 A 104 ARG HE A 104 ARG HGy 1.0 . 3.47 2108 1584 A 105 GLY H A 104 ARG HGx 1.0 . 4.04 2109 1584 A 105 GLY H A 104 ARG HGy 1.0 . 4.04 2110 1585 A 106 ASP H A 104 ARG HGx 1.0 . 3.48 2111 1585 A 106 ASP H A 104 ARG HGy 1.0 . 3.48 2112 1586 A 104 ARG HGy A 106 ASP HBx 1.0 . 4.65 2113 1586 A 104 ARG HGx A 106 ASP HBx 1.0 . 4.65 2114 1586 A 106 ASP HBy A 104 ARG HGx 1.0 . 4.65 2115 1586 A 106 ASP HBy A 104 ARG HGy 1.0 . 4.65 2116 1587 A 105 GLY H A 105 GLY HAy 1.0 . 2.51 2117 1587 A 105 GLY H A 105 GLY HAx 1.0 . 2.51 2118 1588 A 106 ASP H A 105 GLY HAy 1.0 . 3.05 2119 1588 A 106 ASP H A 105 GLY HAx 1.0 . 3.05 2120 1589 A 106 ASP HA A 105 GLY HAy 1.0 . 4.30 2121 1589 A 106 ASP HA A 105 GLY HAx 1.0 . 4.30 2122 1590 A 107 GLU H A 107 GLU HGy 1.0 . 3.41 2123 1590 A 107 GLU H A 107 GLU HGx 1.0 . 3.41 2124 1591 A 108 PHE H A 107 GLU HGy 1.0 . 4.38 2125 1591 A 108 PHE H A 107 GLU HGx 1.0 . 4.38 2126 1592 A 109 SER H A 109 SER HB3 1.0 . 3.10 2127 1592 A 109 SER H A 109 SER HB2 1.0 . 3.10 2128 1593 A 110 PHE H A 109 SER HB3 1.0 . 2.97 2129 1593 A 110 PHE H A 109 SER HB2 1.0 . 2.97 2130 1594 A 111 PRO HA A 112 PRO HGy 1.0 . 5.01 2131 1594 A 111 PRO HA A 112 PRO HGx 1.0 . 5.01 2132 1595 A 111 PRO HA A 112 PRO HDx 1.0 . 3.08 2133 1595 A 111 PRO HA A 112 PRO HDy 1.0 . 3.08 2134 1596 A 111 PRO HBy A 112 PRO HDx 1.0 . 3.76 2135 1596 A 111 PRO HBy A 112 PRO HDy 1.0 . 3.76 2136 1597 A 111 PRO HBx A 112 PRO HDx 1.0 . 3.76 2137 1597 A 111 PRO HBx A 112 PRO HDy 1.0 . 3.76 2138 1598 A 113 GLY H A 112 PRO HBx 1.0 . 4.12 2139 1598 A 113 GLY H A 112 PRO HBy 1.0 . 4.12 2140 1599 A 114 PHE H A 112 PRO HBx 1.0 . 5.34 2141 1599 A 114 PHE H A 112 PRO HBy 1.0 . 5.34 2142 1600 A 113 GLY H A 112 PRO HGy 1.0 . 5.03 2143 1600 A 113 GLY H A 112 PRO HGx 1.0 . 5.03 2144 1601 A 113 GLY H A 115 GLU HBx 1.0 . 5.31 2145 1601 A 113 GLY H A 115 GLU HBy 1.0 . 5.31 2146 1602 A 114 PHE H A 113 GLY HAy 1.0 . 3.08 2147 1602 A 114 PHE H A 113 GLY HAx 1.0 . 3.08 2148 1603 A 114 PHE H A 115 GLU HBx 1.0 . 4.89 2149 1603 A 114 PHE H A 115 GLU HBy 1.0 . 4.89 2150 1604 A 115 GLU H A 115 GLU HBx 1.0 . 3.36 2151 1604 A 115 GLU H A 115 GLU HBy 1.0 . 3.36 2152 1605 A 115 GLU HBy A 115 GLU HGx 1.0 . 2.41 2153 1605 A 115 GLU HBx A 115 GLU HGx 1.0 . 2.41 2154 1605 A 115 GLU HGy A 115 GLU HBx 1.0 . 2.41 2155 1605 A 115 GLU HGy A 115 GLU HBy 1.0 . 2.41 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 67 THR O A 71 GLU N 1.0 . 3.1 2 2 A 71 GLU H A 67 THR O 1.0 . 2.1 3 3 A 68 GLN O A 72 THR N 1.0 . 3.1 4 4 A 72 THR H A 68 GLN O 1.0 . 2.1 5 5 A 69 MET O A 73 VAL N 1.0 . 3.1 6 6 A 73 VAL H A 69 MET O 1.0 . 2.1 7 7 A 70 VAL O A 74 GLN N 1.0 . 3.1 8 8 A 74 GLN H A 70 VAL O 1.0 . 2.1 9 9 A 71 GLU O A 75 ASN N 1.0 . 3.1 10 10 A 75 ASN H A 71 GLU O 1.0 . 2.1 11 11 A 72 THR O A 76 LEU N 1.0 . 3.1 12 12 A 76 LEU H A 72 THR O 1.0 . 2.1 13 13 A 84 GLN O A 88 SER N 1.0 . 3.1 14 14 A 88 SER H A 84 GLN O 1.0 . 2.1 15 15 A 85 ILE O A 89 LEU N 1.0 . 3.1 16 16 A 89 LEU H A 85 ILE O 1.0 . 2.1 17 17 A 86 ARG O A 90 GLU N 1.0 . 3.1 18 18 A 90 GLU H A 86 ARG O 1.0 . 2.1 19 19 A 87 TYR O A 91 ASN N 1.0 . 3.1 20 20 A 91 ASN H A 87 TYR O 1.0 . 2.1 21 21 A 88 SER O A 92 THR N 1.0 . 3.1 22 22 A 92 THR H A 88 SER O 1.0 . 2.1 23 23 A 89 LEU O A 93 GLY N 1.0 . 3.1 24 24 A 93 GLY H A 89 LEU O 1.0 . 2.1 25 25 A 95 VAL O A 99 VAL N 1.0 . 3.1 26 26 A 99 VAL H A 95 VAL O 1.0 . 2.1 27 27 A 96 GLU O A 100 GLU N 1.0 . 3.1 28 28 A 100 GLU H A 96 GLU O 1.0 . 2.1 29 29 A 97 GLU O A 101 ARG N 1.0 . 3.1 30 30 A 101 ARG H A 97 GLU O 1.0 . 2.1 31 31 A 98 THR O A 102 TYR N 1.0 . 3.1 32 32 A 102 TYR H A 98 THR O 1.0 . 2.1 33 33 A 99 VAL O A 103 LEU N 1.0 . 3.1 34 34 A 103 LEU H A 99 VAL O 1.0 . 2.1 35 35 A 81 HIS ND1 A 83 GLU N 1.0 . 3.1 36 36 A 83 GLU H A 81 HIS ND1 1.0 . 2.1 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _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 62 GLY C A 63 HIS N A 63 HIS CA A 63 HIS C 1.0 -129.4 -65.9 PHI 2 2 A 63 HIS N A 63 HIS CA A 63 HIS C A 64 PRO N 1.0 79.7 180.5 PSI 3 3 A 64 PRO N A 64 PRO CA A 64 PRO C A 65 VAL N 1.0 127.0 167.0 PSI 4 4 A 64 PRO C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -134.2 -59.3 PHI 5 5 A 65 VAL N A 65 VAL CA A 65 VAL C A 66 THR N 1.0 92.4 174.3 PSI 6 6 A 65 VAL C A 66 THR N A 66 THR CA A 66 THR C 1.0 -124.1 -60.8 PHI 7 7 A 66 THR N A 66 THR CA A 66 THR C A 67 THR N 1.0 144.1 184.1 PSI 8 8 A 66 THR C A 67 THR N A 67 THR CA A 67 THR C 1.0 -80.3 -40.3 PHI 9 9 A 67 THR N A 67 THR CA A 67 THR C A 68 GLN N 1.0 -58.8 -18.8 PSI 10 10 A 67 THR C A 68 GLN N A 68 GLN CA A 68 GLN C 1.0 -84.4 -44.4 PHI 11 11 A 68 GLN N A 68 GLN CA A 68 GLN C A 69 MET N 1.0 -60.4 -20.4 PSI 12 12 A 68 GLN C A 69 MET N A 69 MET CA A 69 MET C 1.0 -83.3 -43.3 PHI 13 13 A 69 MET N A 69 MET CA A 69 MET C A 70 VAL N 1.0 -63.2 -23.2 PSI 14 14 A 69 MET C A 70 VAL N A 70 VAL CA A 70 VAL C 1.0 -81.8 -41.8 PHI 15 15 A 70 VAL N A 70 VAL CA A 70 VAL C A 71 GLU N 1.0 -63.1 -20.6 PSI 16 16 A 70 VAL C A 71 GLU N A 71 GLU CA A 71 GLU C 1.0 -82.5 -42.5 PHI 17 17 A 71 GLU N A 71 GLU CA A 71 GLU C A 72 THR N 1.0 -61.4 -21.4 PSI 18 18 A 71 GLU C A 72 THR N A 72 THR CA A 72 THR C 1.0 -83.5 -43.5 PHI 19 19 A 72 THR N A 72 THR CA A 72 THR C A 73 VAL N 1.0 -64.6 -24.6 PSI 20 20 A 72 THR C A 73 VAL N A 73 VAL CA A 73 VAL C 1.0 -86.1 -46.1 PHI 21 21 A 73 VAL N A 73 VAL CA A 73 VAL C A 74 GLN N 1.0 -62.2 -22.2 PSI 22 22 A 73 VAL C A 74 GLN N A 74 GLN CA A 74 GLN C 1.0 -80.6 -40.6 PHI 23 23 A 74 GLN N A 74 GLN CA A 74 GLN C A 75 ASN N 1.0 -60.0 -20.0 PSI 24 24 A 74 GLN C A 75 ASN N A 75 ASN CA A 75 ASN C 1.0 -89.2 -49.2 PHI 25 25 A 75 ASN N A 75 ASN CA A 75 ASN C A 76 LEU N 1.0 -63.5 6.0 PSI 26 26 A 75 ASN C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -115.8 -59.3 PHI 27 27 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 ALA N 1.0 -45.7 16.3 PSI 28 28 A 76 LEU C A 77 ALA N A 77 ALA CA A 77 ALA C 1.0 -155.4 -58.0 PHI 29 29 A 77 ALA N A 77 ALA CA A 77 ALA C A 78 PRO N 1.0 33.8 160.5 PSI 30 30 A 78 PRO N A 78 PRO CA A 78 PRO C A 79 ASN N 1.0 -43.5 -1.0 PSI 31 31 A 78 PRO C A 79 ASN N A 79 ASN CA A 79 ASN C 1.0 -110.6 -68.9 PHI 32 32 A 79 ASN N A 79 ASN CA A 79 ASN C A 80 LEU N 1.0 -36.1 32.9 PSI 33 33 A 79 ASN C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -149.3 -33.7 PHI 34 34 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 HIS N 1.0 86.9 165.7 PSI 35 35 A 80 LEU C A 81 HIS N A 81 HIS CA A 81 HIS C 1.0 -150.1 -35.2 PHI 36 36 A 81 HIS N A 81 HIS CA A 81 HIS C A 82 PRO N 1.0 105.0 183.7 PSI 37 37 A 82 PRO C A 83 GLU N A 83 GLU CA A 83 GLU C 1.0 -86.1 -31.1 PHI 38 38 A 83 GLU N A 83 GLU CA A 83 GLU C A 84 GLN N 1.0 -58.0 -18.0 PSI 39 39 A 83 GLU C A 84 GLN N A 84 GLN CA A 84 GLN C 1.0 -84.2 -44.2 PHI 40 40 A 84 GLN N A 84 GLN CA A 84 GLN C A 85 ILE N 1.0 -61.5 -21.5 PSI 41 41 A 84 GLN C A 85 ILE N A 85 ILE CA A 85 ILE C 1.0 -85.1 -45.1 PHI 42 42 A 85 ILE N A 85 ILE CA A 85 ILE C A 86 ARG N 1.0 -63.4 -23.4 PSI 43 43 A 85 ILE C A 86 ARG N A 86 ARG CA A 86 ARG C 1.0 -80.4 -40.4 PHI 44 44 A 86 ARG N A 86 ARG CA A 86 ARG C A 87 TYR N 1.0 -64.0 -24.0 PSI 45 45 A 86 ARG C A 87 TYR N A 87 TYR CA A 87 TYR C 1.0 -82.5 -42.5 PHI 46 46 A 87 TYR N A 87 TYR CA A 87 TYR C A 88 SER N 1.0 -61.1 -21.1 PSI 47 47 A 87 TYR C A 88 SER N A 88 SER CA A 88 SER C 1.0 -84.7 -44.7 PHI 48 48 A 88 SER N A 88 SER CA A 88 SER C A 89 LEU N 1.0 -60.5 -20.5 PSI 49 49 A 88 SER C A 89 LEU N A 89 LEU CA A 89 LEU C 1.0 -84.9 -44.9 PHI 50 50 A 89 LEU N A 89 LEU CA A 89 LEU C A 90 GLU N 1.0 -61.6 -21.6 PSI 51 51 A 89 LEU C A 90 GLU N A 90 GLU CA A 90 GLU C 1.0 -85.4 -45.4 PHI 52 52 A 90 GLU N A 90 GLU CA A 90 GLU C A 91 ASN N 1.0 -63.9 -23.9 PSI 53 53 A 90 GLU C A 91 ASN N A 91 ASN CA A 91 ASN C 1.0 -99.2 -54.4 PHI 54 54 A 91 ASN N A 91 ASN CA A 91 ASN C A 92 THR N 1.0 -57.2 -12.1 PSI 55 55 A 91 ASN C A 92 THR N A 92 THR CA A 92 THR C 1.0 -114.3 -66.9 PHI 56 56 A 92 THR N A 92 THR CA A 92 THR C A 93 GLY N 1.0 -40.7 22.3 PSI 57 57 A 92 THR C A 93 GLY N A 93 GLY CA A 93 GLY C 1.0 61.5 101.6 PHI 58 58 A 93 GLY N A 93 GLY CA A 93 GLY C A 94 SER N 1.0 -17.2 62.0 PSI 59 59 A 93 GLY C A 94 SER N A 94 SER CA A 94 SER C 1.0 -144.1 -51.7 PHI 60 60 A 94 SER N A 94 SER CA A 94 SER C A 95 VAL N 1.0 67.3 181.4 PSI 61 61 A 94 SER C A 95 VAL N A 95 VAL CA A 95 VAL C 1.0 -74.7 -34.7 PHI 62 62 A 95 VAL N A 95 VAL CA A 95 VAL C A 96 GLU N 1.0 -68.6 -28.6 PSI 63 63 A 95 VAL C A 96 GLU N A 96 GLU CA A 96 GLU C 1.0 -80.1 -40.1 PHI 64 64 A 96 GLU N A 96 GLU CA A 96 GLU C A 97 GLU N 1.0 -59.2 -19.2 PSI 65 65 A 96 GLU C A 97 GLU N A 97 GLU CA A 97 GLU C 1.0 -83.2 -43.2 PHI 66 66 A 97 GLU N A 97 GLU CA A 97 GLU C A 98 THR N 1.0 -61.3 -21.3 PSI 67 67 A 97 GLU C A 98 THR N A 98 THR CA A 98 THR C 1.0 -83.1 -43.1 PHI 68 68 A 98 THR N A 98 THR CA A 98 THR C A 99 VAL N 1.0 -63.5 -23.5 PSI 69 69 A 98 THR C A 99 VAL N A 99 VAL CA A 99 VAL C 1.0 -83.0 -43.0 PHI 70 70 A 99 VAL N A 99 VAL CA A 99 VAL C A 100 GLU N 1.0 -65.5 -25.5 PSI 71 71 A 99 VAL C A 100 GLU N A 100 GLU CA A 100 GLU C 1.0 -81.6 -41.6 PHI 72 72 A 100 GLU N A 100 GLU CA A 100 GLU C A 101 ARG N 1.0 -62.9 -22.9 PSI 73 73 A 100 GLU C A 101 ARG N A 101 ARG CA A 101 ARG C 1.0 -82.9 -42.9 PHI 74 74 A 101 ARG N A 101 ARG CA A 101 ARG C A 102 TYR N 1.0 -60.2 -20.2 PSI 75 75 A 101 ARG C A 102 TYR N A 102 TYR CA A 102 TYR C 1.0 -85.1 -45.1 PHI 76 76 A 102 TYR N A 102 TYR CA A 102 TYR C A 103 LEU N 1.0 -60.9 -20.9 PSI 77 77 A 102 TYR C A 103 LEU N A 103 LEU CA A 103 LEU C 1.0 -84.8 -44.8 PHI 78 78 A 103 LEU N A 103 LEU CA A 103 LEU C A 104 ARG N 1.0 -53.9 -6.1 PSI 79 79 A 103 LEU C A 104 ARG N A 104 ARG CA A 104 ARG C 1.0 -109.1 -69.1 PHI 80 80 A 104 ARG N A 104 ARG CA A 104 ARG C A 105 GLY N 1.0 -18.5 21.5 PSI 81 81 A 104 ARG C A 105 GLY N A 105 GLY CA A 105 GLY C 1.0 68.9 118.0 PHI 82 82 A 105 GLY N A 105 GLY CA A 105 GLY C A 106 ASP N 1.0 -32.4 36.6 PSI 83 83 A 106 ASP C A 107 GLU N A 107 GLU CA A 107 GLU C 1.0 -128.6 -51.9 PHI 84 84 A 107 GLU N A 107 GLU CA A 107 GLU C A 108 PHE N 1.0 84.2 153.7 PSI 85 85 A 107 GLU C A 108 PHE N A 108 PHE CA A 108 PHE C 1.0 -144.6 -60.9 PHI 86 86 A 108 PHE N A 108 PHE CA A 108 PHE C A 109 SER N 1.0 110.6 150.6 PSI 87 87 A 108 PHE C A 109 SER N A 109 SER CA A 109 SER C 1.0 -151.2 -49.5 PHI 88 88 A 109 SER N A 109 SER CA A 109 SER C A 110 PHE N 1.0 100.9 179.1 PSI 89 89 A 109 SER C A 110 PHE N A 110 PHE CA A 110 PHE C 1.0 -117.1 -37.3 PHI 90 90 A 110 PHE N A 110 PHE CA A 110 PHE C A 111 PRO N 1.0 101.3 178.6 PSI 91 91 A 111 PRO N A 111 PRO CA A 111 PRO C A 112 PRO N 1.0 135.5 175.5 PSI 92 92 A 112 PRO N A 112 PRO CA A 112 PRO C A 113 GLY N 1.0 117.1 165.3 PSI stop_ save_