data_nef_c15829_2k5d save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 MET middle . . 3 A 3 ARG middle . . 4 A 4 LEU middle . . 5 A 5 ALA middle . . 6 A 6 ASN middle . . 7 A 7 GLY middle . false 8 A 8 ILE middle . . 9 A 9 VAL middle . . 10 A 10 LEU middle . . 11 A 11 ASP middle . . 12 A 12 LYS middle . . 13 A 13 ASP middle . . 14 A 14 THR middle . . 15 A 15 THR middle . . 16 A 16 PHE middle . . 17 A 17 GLY middle . false 18 A 18 GLU middle . . 19 A 19 LEU middle . . 20 A 20 LYS middle . . 21 A 21 PHE middle . . 22 A 22 SER middle . . 23 A 23 ALA middle . . 24 A 24 LEU middle . . 25 A 25 ARG middle . . 26 A 26 ARG middle . . 27 A 27 GLU middle . . 28 A 28 VAL middle . . 29 A 29 ARG middle . . 30 A 30 ILE middle . . 31 A 31 GLN middle . . 32 A 32 ASN middle . . 33 A 33 GLU middle . . 34 A 34 ASP middle . . 35 A 35 GLY middle . false 36 A 36 SER middle . . 37 A 37 VAL middle . . 38 A 38 SER middle . . 39 A 39 ASP middle . . 40 A 40 GLU middle . . 41 A 41 ILE middle . . 42 A 42 LYS middle . . 43 A 43 GLU middle . . 44 A 44 ARG middle . . 45 A 45 THR middle . . 46 A 46 TYR middle . . 47 A 47 ASP middle . . 48 A 48 LEU middle . . 49 A 49 LYS middle . . 50 A 50 SER middle . . 51 A 51 LYS middle . . 52 A 52 GLY middle . false 53 A 53 GLN middle . . 54 A 54 GLY middle . false 55 A 55 ARG middle . . 56 A 56 MET middle . . 57 A 57 ILE middle . . 58 A 58 GLN middle . . 59 A 59 VAL middle . . 60 A 60 SER middle . . 61 A 61 ILE middle . . 62 A 62 PRO middle . false 63 A 63 ALA middle . . 64 A 64 SER middle . . 65 A 65 VAL middle . . 66 A 66 PRO middle . false 67 A 67 LEU middle . . 68 A 68 LYS middle . . 69 A 69 GLU middle . . 70 A 70 PHE middle . . 71 A 71 ASP middle . . 72 A 72 TYR middle . . 73 A 73 ASN middle . . 74 A 74 ALA middle . . 75 A 75 ARG middle . . 76 A 76 VAL middle . . 77 A 77 GLU middle . . 78 A 78 LEU middle . . 79 A 79 ILE middle . . 80 A 80 ASN middle . . 81 A 81 PRO middle . false 82 A 82 ILE middle . . 83 A 83 ALA middle . . 84 A 84 ASP middle . . 85 A 85 THR middle . . 86 A 86 VAL middle . . 87 A 87 ALA middle . . 88 A 88 THR middle . . 89 A 89 ALA middle . . 90 A 90 THR middle . . 91 A 91 TYR middle . . 92 A 92 GLN middle . . 93 A 93 GLY middle . false 94 A 94 ALA middle . . 95 A 95 ASP middle . . 96 A 96 VAL middle . . 97 A 97 ASP middle . . 98 A 98 TRP middle . . 99 A 99 TYR middle . . 100 A 100 ILE middle . . 101 A 101 LYS middle . . 102 A 102 ALA middle . . 103 A 103 ASP middle . . 104 A 104 ASP middle . . 105 A 105 ILE middle . . 106 A 106 VAL middle . . 107 A 107 LEU middle . . 108 A 108 THR middle . . 109 A 109 LEU middle . . 110 A 110 GLU middle . . 111 A 111 HIS middle . . 112 A 112 HIS middle . . 113 A 113 HIS middle . . 114 A 114 HIS middle . . 115 A 115 HIS middle . . 116 A 116 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.122 0.015 A 1 MET HBx H 1 2.118 0.015 A 1 MET HBy H 1 2.118 0.015 A 1 MET HGx H 1 2.541 0.015 A 1 MET HGy H 1 2.541 0.015 A 1 MET CA C 13 55.150 0.2 A 1 MET CB C 13 33.327 0.2 A 1 MET CG C 13 30.988 0.2 A 2 MET HA H 1 4.554 0.015 A 2 MET HBx H 1 1.998 0.015 A 2 MET HBy H 1 1.998 0.015 A 2 MET HGx H 1 2.483 0.015 A 2 MET HGy H 1 2.483 0.015 A 2 MET C C 13 174.749 0.2 A 2 MET CA C 13 55.354 0.2 A 2 MET CB C 13 33.729 0.2 A 2 MET CG C 13 31.788 0.2 A 3 ARG H H 1 8.518 0.015 A 3 ARG HA H 1 4.531 0.015 A 3 ARG HBy H 1 1.807 0.015 A 3 ARG HBx H 1 1.702 0.015 A 3 ARG HDx H 1 3.174 0.015 A 3 ARG HDy H 1 3.174 0.015 A 3 ARG HGy H 1 1.571 0.015 A 3 ARG HGx H 1 1.559 0.015 A 3 ARG C C 13 175.780 0.2 A 3 ARG CA C 13 55.854 0.2 A 3 ARG CB C 13 31.403 0.2 A 3 ARG CD C 13 43.418 0.2 A 3 ARG CG C 13 27.331 0.2 A 3 ARG N N 15 124.008 0.2 A 4 LEU H H 1 8.424 0.015 A 4 LEU HA H 1 4.457 0.015 A 4 LEU HBy H 1 1.622 0.015 A 4 LEU HBx H 1 1.478 0.015 A 4 LEU HD1% H 1 0.818 0.015 A 4 LEU HD2% H 1 0.781 0.015 A 4 LEU HG H 1 1.556 0.015 A 4 LEU C C 13 177.362 0.2 A 4 LEU CA C 13 54.511 0.2 A 4 LEU CB C 13 42.686 0.2 A 4 LEU CD1 C 13 25.116 0.2 A 4 LEU CD2 C 13 23.553 0.2 A 4 LEU CG C 13 27.084 0.2 A 4 LEU N N 15 124.389 0.2 A 5 ALA H H 1 8.418 0.015 A 5 ALA HA H 1 4.254 0.015 A 5 ALA HB% H 1 1.379 0.015 A 5 ALA C C 13 177.420 0.2 A 5 ALA CA C 13 52.931 0.2 A 5 ALA CB C 13 19.263 0.2 A 5 ALA N N 15 124.548 0.2 A 6 ASN H H 1 8.287 0.015 A 6 ASN HA H 1 4.616 0.015 A 6 ASN HBy H 1 2.899 0.015 A 6 ASN HBx H 1 2.843 0.015 A 6 ASN HD21 H 1 7.597 0.015 A 6 ASN HD22 H 1 6.790 0.015 A 6 ASN C C 13 175.837 0.2 A 6 ASN CA C 13 53.345 0.2 A 6 ASN CB C 13 38.571 0.2 A 6 ASN CG C 13 176.798 0.2 A 6 ASN N N 15 116.484 0.2 A 6 ASN ND2 N 15 111.608 0.2 A 7 GLY H H 1 8.351 0.015 A 7 GLY HAy H 1 4.130 0.015 A 7 GLY HAx H 1 3.808 0.015 A 7 GLY C C 13 173.750 0.2 A 7 GLY CA C 13 45.343 0.2 A 7 GLY N N 15 108.453 0.2 A 8 ILE H H 1 7.868 0.015 A 8 ILE HA H 1 4.130 0.015 A 8 ILE HB H 1 1.846 0.015 A 8 ILE HD1% H 1 0.824 0.015 A 8 ILE HG1y H 1 1.444 0.015 A 8 ILE HG1x H 1 1.130 0.015 A 8 ILE HG2% H 1 0.844 0.015 A 8 ILE C C 13 175.570 0.2 A 8 ILE CA C 13 61.095 0.2 A 8 ILE CB C 13 38.694 0.2 A 8 ILE CD1 C 13 12.944 0.2 A 8 ILE CG1 C 13 27.598 0.2 A 8 ILE CG2 C 13 17.248 0.2 A 8 ILE N N 15 120.848 0.2 A 9 VAL H H 1 8.220 0.015 A 9 VAL HA H 1 4.172 0.015 A 9 VAL HB H 1 2.001 0.015 A 9 VAL HG1% H 1 0.952 0.015 A 9 VAL HG2% H 1 0.879 0.015 A 9 VAL C C 13 175.898 0.2 A 9 VAL CA C 13 62.488 0.2 A 9 VAL CB C 13 32.460 0.2 A 9 VAL CG1 C 13 21.035 0.2 A 9 VAL CG2 C 13 21.210 0.2 A 9 VAL N N 15 125.805 0.2 A 10 LEU H H 1 8.437 0.015 A 10 LEU HA H 1 4.347 0.015 A 10 LEU HBx H 1 1.499 0.015 A 10 LEU HBy H 1 1.499 0.015 A 10 LEU HD1% H 1 0.817 0.015 A 10 LEU HD2% H 1 0.795 0.015 A 10 LEU HG H 1 1.575 0.015 A 10 LEU C C 13 176.398 0.2 A 10 LEU CA C 13 54.787 0.2 A 10 LEU CB C 13 42.639 0.2 A 10 LEU CD1 C 13 25.430 0.2 A 10 LEU CD2 C 13 23.550 0.2 A 10 LEU CG C 13 26.906 0.2 A 10 LEU N N 15 127.757 0.2 A 11 ASP H H 1 8.506 0.015 A 11 ASP HA H 1 4.683 0.015 A 11 ASP HBy H 1 2.767 0.015 A 11 ASP HBx H 1 2.635 0.015 A 11 ASP C C 13 176.672 0.2 A 11 ASP CA C 13 53.586 0.2 A 11 ASP CB C 13 41.123 0.2 A 11 ASP N N 15 121.539 0.2 A 12 LYS H H 1 8.578 0.015 A 12 LYS HA H 1 3.943 0.015 A 12 LYS HBx H 1 1.894 0.015 A 12 LYS HBy H 1 1.894 0.015 A 12 LYS HDx H 1 1.739 0.015 A 12 LYS HDy H 1 1.739 0.015 A 12 LYS HEx H 1 3.065 0.015 A 12 LYS HEy H 1 3.065 0.015 A 12 LYS HGy H 1 1.507 0.015 A 12 LYS HGx H 1 1.443 0.015 A 12 LYS C C 13 176.917 0.2 A 12 LYS CA C 13 58.542 0.2 A 12 LYS CB C 13 32.703 0.2 A 12 LYS CD C 13 29.508 0.2 A 12 LYS CE C 13 42.106 0.2 A 12 LYS CG C 13 24.554 0.2 A 12 LYS N N 15 123.635 0.2 A 13 ASP H H 1 8.523 0.015 A 13 ASP HA H 1 4.566 0.015 A 13 ASP HBx H 1 2.721 0.015 A 13 ASP HBy H 1 2.721 0.015 A 13 ASP C C 13 177.535 0.2 A 13 ASP CA C 13 56.034 0.2 A 13 ASP CB C 13 41.051 0.2 A 13 ASP N N 15 120.448 0.2 A 14 THR H H 1 7.964 0.015 A 14 THR HA H 1 4.146 0.015 A 14 THR HB H 1 4.107 0.015 A 14 THR HG2% H 1 1.102 0.015 A 14 THR C C 13 175.440 0.2 A 14 THR CA C 13 63.245 0.2 A 14 THR CB C 13 69.092 0.2 A 14 THR CG2 C 13 21.873 0.2 A 14 THR N N 15 113.711 0.2 A 15 THR H H 1 7.921 0.015 A 15 THR HA H 1 3.920 0.015 A 15 THR HB H 1 3.546 0.015 A 15 THR HG2% H 1 0.596 0.015 A 15 THR C C 13 174.750 0.2 A 15 THR CA C 13 64.562 0.2 A 15 THR CB C 13 69.166 0.2 A 15 THR CG2 C 13 21.312 0.2 A 15 THR N N 15 116.710 0.2 A 16 PHE H H 1 8.191 0.015 A 16 PHE HA H 1 4.628 0.015 A 16 PHE HBy H 1 3.124 0.015 A 16 PHE HBx H 1 3.085 0.015 A 16 PHE HDx H 1 7.140 0.015 A 16 PHE HDy H 1 7.140 0.015 A 16 PHE HEx H 1 6.907 0.015 A 16 PHE HEy H 1 6.907 0.015 A 16 PHE HZ H 1 6.805 0.015 A 16 PHE C C 13 177.754 0.2 A 16 PHE CA C 13 57.975 0.2 A 16 PHE CB C 13 39.553 0.2 A 16 PHE CDx C 13 131.345 0.2 A 16 PHE CDy C 13 131.345 0.2 A 16 PHE CEx C 13 131.266 0.2 A 16 PHE CEy C 13 131.266 0.2 A 16 PHE CZ C 13 129.346 0.2 A 16 PHE N N 15 117.124 0.2 A 17 GLY H H 1 8.110 0.015 A 17 GLY HAy H 1 4.017 0.015 A 17 GLY HAx H 1 3.849 0.015 A 17 GLY C C 13 172.231 0.2 A 17 GLY CA C 13 45.633 0.2 A 17 GLY N N 15 109.951 0.2 A 18 GLU H H 1 8.304 0.015 A 18 GLU HA H 1 4.078 0.015 A 18 GLU HBx H 1 1.961 0.015 A 18 GLU HBy H 1 1.961 0.015 A 18 GLU HGy H 1 2.250 0.015 A 18 GLU HGx H 1 2.028 0.015 A 18 GLU C C 13 175.588 0.2 A 18 GLU CA C 13 57.446 0.2 A 18 GLU CB C 13 30.767 0.2 A 18 GLU CG C 13 36.825 0.2 A 18 GLU N N 15 121.640 0.2 A 19 LEU H H 1 8.799 0.015 A 19 LEU HA H 1 5.416 0.015 A 19 LEU HBy H 1 2.098 0.015 A 19 LEU HBx H 1 0.891 0.015 A 19 LEU HD1% H 1 0.710 0.015 A 19 LEU HD2% H 1 0.747 0.015 A 19 LEU HG H 1 1.847 0.015 A 19 LEU C C 13 176.875 0.2 A 19 LEU CA C 13 53.281 0.2 A 19 LEU CB C 13 45.508 0.2 A 19 LEU CD1 C 13 26.608 0.2 A 19 LEU CD2 C 13 24.503 0.2 A 19 LEU CG C 13 25.978 0.2 A 19 LEU N N 15 127.101 0.2 A 20 LYS H H 1 8.494 0.015 A 20 LYS HA H 1 5.200 0.015 A 20 LYS HBy H 1 1.430 0.015 A 20 LYS HBx H 1 1.358 0.015 A 20 LYS HDy H 1 1.505 0.015 A 20 LYS HDx H 1 1.437 0.015 A 20 LYS HEx H 1 2.811 0.015 A 20 LYS HEy H 1 2.811 0.015 A 20 LYS HGy H 1 1.357 0.015 A 20 LYS HGx H 1 1.092 0.015 A 20 LYS C C 13 176.163 0.2 A 20 LYS CA C 13 53.575 0.2 A 20 LYS CB C 13 36.835 0.2 A 20 LYS CD C 13 29.193 0.2 A 20 LYS CE C 13 41.915 0.2 A 20 LYS CG C 13 25.948 0.2 A 20 LYS N N 15 118.828 0.2 A 21 PHE H H 1 9.658 0.015 A 21 PHE HA H 1 4.038 0.015 A 21 PHE HBy H 1 3.214 0.015 A 21 PHE HBx H 1 2.855 0.015 A 21 PHE HDy H 1 6.904 0.015 A 21 PHE HDx H 1 6.902 0.015 A 21 PHE HEx H 1 7.122 0.015 A 21 PHE HEy H 1 7.122 0.015 A 21 PHE HZ H 1 7.347 0.015 A 21 PHE C C 13 174.296 0.2 A 21 PHE CA C 13 60.462 0.2 A 21 PHE CB C 13 40.359 0.2 A 21 PHE CDx C 13 131.607 0.2 A 21 PHE CDy C 13 131.607 0.2 A 21 PHE CEx C 13 131.861 0.2 A 21 PHE CEy C 13 131.861 0.2 A 21 PHE CZ C 13 129.539 0.2 A 21 PHE N N 15 124.322 0.2 A 22 SER H H 1 7.199 0.015 A 22 SER HA H 1 5.046 0.015 A 22 SER HBy H 1 3.883 0.015 A 22 SER HBx H 1 3.277 0.015 A 22 SER C C 13 173.080 0.2 A 22 SER CA C 13 58.547 0.2 A 22 SER CB C 13 63.591 0.2 A 22 SER N N 15 120.109 0.2 A 23 ALA H H 1 7.269 0.015 A 23 ALA HA H 1 4.426 0.015 A 23 ALA HB% H 1 1.457 0.015 A 23 ALA C C 13 176.568 0.2 A 23 ALA CA C 13 52.458 0.2 A 23 ALA CB C 13 22.728 0.2 A 23 ALA N N 15 114.102 0.2 A 24 LEU H H 1 8.819 0.015 A 24 LEU HA H 1 4.060 0.015 A 24 LEU HBy H 1 1.813 0.015 A 24 LEU HBx H 1 1.634 0.015 A 24 LEU HD1% H 1 0.344 0.015 A 24 LEU HD2% H 1 0.835 0.015 A 24 LEU HG H 1 1.146 0.015 A 24 LEU C C 13 175.363 0.2 A 24 LEU CA C 13 56.901 0.2 A 24 LEU CB C 13 42.065 0.2 A 24 LEU CD1 C 13 22.956 0.2 A 24 LEU CD2 C 13 26.440 0.2 A 24 LEU CG C 13 27.076 0.2 A 24 LEU N N 15 120.865 0.2 A 25 ARG H H 1 9.473 0.015 A 25 ARG HA H 1 4.428 0.015 A 25 ARG HBx H 1 1.673 0.015 A 25 ARG HBy H 1 1.673 0.015 A 25 ARG HDy H 1 3.221 0.015 A 25 ARG HDx H 1 3.061 0.015 A 25 ARG HE H 1 8.327 0.015 A 25 ARG HGy H 1 1.398 0.015 A 25 ARG HGx H 1 1.347 0.015 A 25 ARG C C 13 175.729 0.2 A 25 ARG CA C 13 56.721 0.2 A 25 ARG CB C 13 31.109 0.2 A 25 ARG CD C 13 42.102 0.2 A 25 ARG CG C 13 27.242 0.2 A 25 ARG N N 15 130.455 0.2 A 25 ARG NE N 15 84.853 0.2 A 26 ARG H H 1 7.711 0.015 A 26 ARG HA H 1 4.559 0.015 A 26 ARG HBy H 1 1.882 0.015 A 26 ARG HBx H 1 1.683 0.015 A 26 ARG HDy H 1 3.208 0.015 A 26 ARG HDx H 1 3.132 0.015 A 26 ARG HGy H 1 1.330 0.015 A 26 ARG HGx H 1 1.302 0.015 A 26 ARG C C 13 173.724 0.2 A 26 ARG CA C 13 55.737 0.2 A 26 ARG CB C 13 33.261 0.2 A 26 ARG CD C 13 43.236 0.2 A 26 ARG CG C 13 26.424 0.2 A 26 ARG N N 15 113.305 0.2 A 27 GLU H H 1 8.848 0.015 A 27 GLU HA H 1 4.615 0.015 A 27 GLU HBy H 1 2.110 0.015 A 27 GLU HBx H 1 1.872 0.015 A 27 GLU HGy H 1 2.375 0.015 A 27 GLU HGx H 1 1.927 0.015 A 27 GLU C C 13 174.836 0.2 A 27 GLU CA C 13 55.901 0.2 A 27 GLU CB C 13 30.755 0.2 A 27 GLU CG C 13 38.349 0.2 A 27 GLU N N 15 121.934 0.2 A 28 VAL H H 1 8.603 0.015 A 28 VAL HA H 1 4.013 0.015 A 28 VAL HB H 1 1.999 0.015 A 28 VAL HG1% H 1 0.846 0.015 A 28 VAL HG2% H 1 0.949 0.015 A 28 VAL C C 13 175.561 0.2 A 28 VAL CA C 13 62.791 0.2 A 28 VAL CB C 13 32.710 0.2 A 28 VAL CG1 C 13 21.10 0.2 A 28 VAL CG2 C 13 21.18 0.2 A 28 VAL N N 15 125.545 0.2 A 29 ARG H H 1 8.735 0.015 A 29 ARG HA H 1 4.774 0.015 A 29 ARG HBy H 1 2.110 0.015 A 29 ARG HBx H 1 1.571 0.015 A 29 ARG HDx H 1 3.165 0.015 A 29 ARG HDy H 1 3.165 0.015 A 29 ARG HGy H 1 1.625 0.015 A 29 ARG HGx H 1 1.500 0.015 A 29 ARG C C 13 176.580 0.2 A 29 ARG CA C 13 55.481 0.2 A 29 ARG CB C 13 31.963 0.2 A 29 ARG CD C 13 43.213 0.2 A 29 ARG CG C 13 28.188 0.2 A 29 ARG N N 15 128.327 0.2 A 30 ILE H H 1 8.358 0.015 A 30 ILE HA H 1 3.882 0.015 A 30 ILE HB H 1 1.734 0.015 A 30 ILE HD1% H 1 0.794 0.015 A 30 ILE HG1y H 1 1.411 0.015 A 30 ILE HG1x H 1 1.063 0.015 A 30 ILE HG2% H 1 0.831 0.015 A 30 ILE C C 13 175.093 0.2 A 30 ILE CA C 13 61.669 0.2 A 30 ILE CB C 13 38.806 0.2 A 30 ILE CD1 C 13 12.608 0.2 A 30 ILE CG1 C 13 28.274 0.2 A 30 ILE CG2 C 13 16.983 0.2 A 30 ILE N N 15 121.957 0.2 A 31 GLN H H 1 8.560 0.015 A 31 GLN HA H 1 4.647 0.015 A 31 GLN HBy H 1 2.060 0.015 A 31 GLN HBx H 1 1.919 0.015 A 31 GLN HE21 H 1 7.561 0.015 A 31 GLN HE22 H 1 6.808 0.015 A 31 GLN HGy H 1 2.374 0.015 A 31 GLN HGx H 1 2.259 0.015 A 31 GLN C C 13 175.954 0.2 A 31 GLN CA C 13 54.833 0.2 A 31 GLN CB C 13 30.584 0.2 A 31 GLN CD C 13 180.369 0.2 A 31 GLN CG C 13 34.157 0.2 A 31 GLN N N 15 126.348 0.2 A 31 GLN NE2 N 15 112.189 0.2 A 32 ASN H H 1 8.994 0.015 A 32 ASN HA H 1 4.784 0.015 A 32 ASN HBy H 1 2.864 0.015 A 32 ASN HBx H 1 2.852 0.015 A 32 ASN HD21 H 1 7.544 0.015 A 32 ASN HD22 H 1 6.749 0.015 A 32 ASN C C 13 177.296 0.2 A 32 ASN CA C 13 53.206 0.2 A 32 ASN CB C 13 39.472 0.2 A 32 ASN CG C 13 175.983 0.2 A 32 ASN N N 15 122.834 0.2 A 32 ASN ND2 N 15 113.808 0.2 A 33 GLU H H 1 9.180 0.015 A 33 GLU HA H 1 4.063 0.015 A 33 GLU HBx H 1 2.068 0.015 A 33 GLU HBy H 1 2.068 0.015 A 33 GLU HGy H 1 2.365 0.015 A 33 GLU HGx H 1 2.354 0.015 A 33 GLU C C 13 176.787 0.2 A 33 GLU CA C 13 59.347 0.2 A 33 GLU CB C 13 29.294 0.2 A 33 GLU CG C 13 36.357 0.2 A 33 GLU N N 15 122.736 0.2 A 34 ASP H H 1 7.969 0.015 A 34 ASP HA H 1 4.499 0.015 A 34 ASP HBy H 1 3.067 0.015 A 34 ASP HBx H 1 2.639 0.015 A 34 ASP C C 13 177.111 0.2 A 34 ASP CA C 13 53.632 0.2 A 34 ASP CB C 13 39.807 0.2 A 34 ASP N N 15 115.921 0.2 A 35 GLY H H 1 8.083 0.015 A 35 GLY HAy H 1 4.366 0.015 A 35 GLY HAx H 1 3.657 0.015 A 35 GLY C C 13 174.584 0.2 A 35 GLY CA C 13 45.134 0.2 A 35 GLY N N 15 108.874 0.2 A 36 SER H H 1 8.274 0.015 A 36 SER HA H 1 4.389 0.015 A 36 SER HBy H 1 4.041 0.015 A 36 SER HBx H 1 3.965 0.015 A 36 SER C C 13 173.284 0.2 A 36 SER CA C 13 58.383 0.2 A 36 SER CB C 13 64.576 0.2 A 36 SER N N 15 117.428 0.2 A 37 VAL H H 1 8.508 0.015 A 37 VAL HA H 1 4.346 0.015 A 37 VAL HB H 1 2.011 0.015 A 37 VAL HG1% H 1 0.988 0.015 A 37 VAL HG2% H 1 0.974 0.015 A 37 VAL C C 13 176.370 0.2 A 37 VAL CA C 13 62.410 0.2 A 37 VAL CB C 13 33.086 0.2 A 37 VAL CG1 C 13 21.806 0.2 A 37 VAL CG2 C 13 20.855 0.2 A 37 VAL N N 15 119.189 0.2 A 38 SER H H 1 8.461 0.015 A 38 SER HA H 1 4.586 0.015 A 38 SER HBy H 1 4.016 0.015 A 38 SER HBx H 1 3.872 0.015 A 38 SER C C 13 173.829 0.2 A 38 SER CA C 13 57.618 0.2 A 38 SER CB C 13 64.537 0.2 A 38 SER N N 15 121.629 0.2 A 39 ASP H H 1 8.512 0.015 A 39 ASP HA H 1 4.606 0.015 A 39 ASP HBy H 1 2.743 0.015 A 39 ASP HBx H 1 2.605 0.015 A 39 ASP C C 13 176.557 0.2 A 39 ASP CA C 13 54.833 0.2 A 39 ASP CB C 13 41.123 0.2 A 39 ASP N N 15 120.305 0.2 A 40 GLU H H 1 8.311 0.015 A 40 GLU HA H 1 4.235 0.015 A 40 GLU HBx H 1 1.885 0.015 A 40 GLU HBy H 1 1.885 0.015 A 40 GLU HGy H 1 2.261 0.015 A 40 GLU HGx H 1 2.110 0.015 A 40 GLU C C 13 175.327 0.2 A 40 GLU CA C 13 56.215 0.2 A 40 GLU CB C 13 30.788 0.2 A 40 GLU CG C 13 36.099 0.2 A 40 GLU N N 15 120.680 0.2 A 41 ILE H H 1 8.465 0.015 A 41 ILE HA H 1 4.127 0.015 A 41 ILE HB H 1 1.746 0.015 A 41 ILE HD1% H 1 0.740 0.015 A 41 ILE HG1y H 1 1.540 0.015 A 41 ILE HG1x H 1 1.084 0.015 A 41 ILE HG2% H 1 0.794 0.015 A 41 ILE C C 13 175.380 0.2 A 41 ILE CA C 13 60.670 0.2 A 41 ILE CB C 13 38.805 0.2 A 41 ILE CD1 C 13 12.796 0.2 A 41 ILE CG1 C 13 28.108 0.2 A 41 ILE CG2 C 13 18.281 0.2 A 41 ILE N N 15 123.665 0.2 A 42 LYS H H 1 9.556 0.015 A 42 LYS HA H 1 4.428 0.015 A 42 LYS HBy H 1 1.709 0.015 A 42 LYS HBx H 1 1.620 0.015 A 42 LYS HDy H 1 1.677 0.015 A 42 LYS HDx H 1 1.546 0.015 A 42 LYS HEx H 1 2.922 0.015 A 42 LYS HEy H 1 2.922 0.015 A 42 LYS HGy H 1 1.428 0.015 A 42 LYS HGx H 1 1.285 0.015 A 42 LYS C C 13 177.277 0.2 A 42 LYS CA C 13 57.274 0.2 A 42 LYS CB C 13 35.169 0.2 A 42 LYS CD C 13 29.424 0.2 A 42 LYS CE C 13 42.125 0.2 A 42 LYS CG C 13 24.815 0.2 A 42 LYS N N 15 125.597 0.2 A 43 GLU H H 1 7.809 0.015 A 43 GLU HA H 1 4.886 0.015 A 43 GLU HBy H 1 2.185 0.015 A 43 GLU HBx H 1 1.856 0.015 A 43 GLU HGy H 1 1.992 0.015 A 43 GLU HGx H 1 1.953 0.015 A 43 GLU C C 13 173.593 0.2 A 43 GLU CA C 13 54.669 0.2 A 43 GLU CB C 13 32.882 0.2 A 43 GLU CG C 13 34.745 0.2 A 43 GLU N N 15 115.292 0.2 A 44 ARG H H 1 8.879 0.015 A 44 ARG HA H 1 4.917 0.015 A 44 ARG HBy H 1 1.615 0.015 A 44 ARG HBx H 1 1.242 0.015 A 44 ARG HDy H 1 3.307 0.015 A 44 ARG HDx H 1 3.106 0.015 A 44 ARG HE H 1 8.844 0.015 A 44 ARG HGy H 1 1.766 0.015 A 44 ARG HGx H 1 1.382 0.015 A 44 ARG C C 13 173.708 0.2 A 44 ARG CA C 13 55.965 0.2 A 44 ARG CB C 13 33.579 0.2 A 44 ARG CD C 13 43.228 0.2 A 44 ARG CG C 13 30.914 0.2 A 44 ARG N N 15 118.233 0.2 A 44 ARG NE N 15 85.385 0.2 A 45 THR H H 1 8.892 0.015 A 45 THR HA H 1 5.308 0.015 A 45 THR HB H 1 3.650 0.015 A 45 THR HG2% H 1 1.107 0.015 A 45 THR C C 13 173.357 0.2 A 45 THR CA C 13 60.939 0.2 A 45 THR CB C 13 70.054 0.2 A 45 THR CG2 C 13 22.692 0.2 A 45 THR N N 15 118.457 0.2 A 46 TYR H H 1 9.625 0.015 A 46 TYR HA H 1 4.771 0.015 A 46 TYR HBy H 1 2.744 0.015 A 46 TYR HBx H 1 2.556 0.015 A 46 TYR HDx H 1 7.079 0.015 A 46 TYR HDy H 1 7.079 0.015 A 46 TYR HEx H 1 6.836 0.015 A 46 TYR HEy H 1 6.836 0.015 A 46 TYR HH H 1 10.81 0.015 A 46 TYR C C 13 173.735 0.2 A 46 TYR CA C 13 57.480 0.2 A 46 TYR CB C 13 41.724 0.2 A 46 TYR CDx C 13 133.603 0.2 A 46 TYR CDy C 13 133.603 0.2 A 46 TYR CEx C 13 118.045 0.2 A 46 TYR CEy C 13 118.045 0.2 A 46 TYR N N 15 125.916 0.2 A 47 ASP H H 1 9.006 0.015 A 47 ASP HA H 1 5.399 0.015 A 47 ASP HBy H 1 2.915 0.015 A 47 ASP HBx H 1 2.558 0.015 A 47 ASP C C 13 175.094 0.2 A 47 ASP CA C 13 53.460 0.2 A 47 ASP CB C 13 41.947 0.2 A 47 ASP N N 15 122.109 0.2 A 48 LEU H H 1 9.066 0.015 A 48 LEU HA H 1 4.831 0.015 A 48 LEU HBy H 1 1.482 0.015 A 48 LEU HBx H 1 1.191 0.015 A 48 LEU HD1% H 1 0.783 0.015 A 48 LEU HD2% H 1 0.942 0.015 A 48 LEU HG H 1 1.636 0.015 A 48 LEU C C 13 174.977 0.2 A 48 LEU CA C 13 52.724 0.2 A 48 LEU CB C 13 44.844 0.2 A 48 LEU CD1 C 13 28.004 0.2 A 48 LEU CD2 C 13 25.791 0.2 A 48 LEU CG C 13 27.806 0.2 A 48 LEU N N 15 121.879 0.2 A 49 LYS H H 1 9.401 0.015 A 49 LYS HA H 1 4.477 0.015 A 49 LYS HBy H 1 1.841 0.015 A 49 LYS HBx H 1 1.619 0.015 A 49 LYS HDy H 1 1.626 0.015 A 49 LYS HDx H 1 1.556 0.015 A 49 LYS HEy H 1 2.904 0.015 A 49 LYS HEx H 1 2.779 0.015 A 49 LYS HGy H 1 1.391 0.015 A 49 LYS HGx H 1 1.241 0.015 A 49 LYS C C 13 176.225 0.2 A 49 LYS CA C 13 56.017 0.2 A 49 LYS CB C 13 33.838 0.2 A 49 LYS CD C 13 29.480 0.2 A 49 LYS CE C 13 42.146 0.2 A 49 LYS CG C 13 25.419 0.2 A 49 LYS N N 15 122.218 0.2 A 50 SER H H 1 8.266 0.015 A 50 SER HA H 1 5.222 0.015 A 50 SER HBy H 1 3.987 0.015 A 50 SER HBx H 1 3.773 0.015 A 50 SER C C 13 175.57 0.2 A 50 SER CA C 13 55.770 0.2 A 50 SER CB C 13 64.738 0.2 A 50 SER N N 15 117.388 0.2 A 51 LYS H H 1 9.276 0.015 A 51 LYS HA H 1 4.208 0.015 A 51 LYS HBy H 1 2.049 0.015 A 51 LYS HBx H 1 2.003 0.015 A 51 LYS HDx H 1 1.706 0.015 A 51 LYS HDy H 1 1.706 0.015 A 51 LYS HEx H 1 2.983 0.015 A 51 LYS HEy H 1 2.983 0.015 A 51 LYS HGy H 1 1.477 0.015 A 51 LYS HGx H 1 1.461 0.015 A 51 LYS C C 13 178.773 0.2 A 51 LYS CA C 13 58.674 0.2 A 51 LYS CB C 13 33.383 0.2 A 51 LYS CD C 13 29.210 0.2 A 51 LYS CE C 13 42.224 0.2 A 51 LYS CG C 13 25.078 0.2 A 51 LYS N N 15 130.55 0.2 A 52 GLY H H 1 8.320 0.015 A 52 GLY HAy H 1 3.875 0.015 A 52 GLY HAx H 1 3.628 0.015 A 52 GLY C C 13 175.108 0.2 A 52 GLY CA C 13 46.322 0.2 A 52 GLY N N 15 107.053 0.2 A 53 GLN H H 1 7.859 0.015 A 53 GLN HA H 1 4.409 0.015 A 53 GLN HBy H 1 2.315 0.015 A 53 GLN HBx H 1 1.730 0.015 A 53 GLN HE21 H 1 7.505 0.015 A 53 GLN HE22 H 1 6.844 0.015 A 53 GLN HGy H 1 2.407 0.015 A 53 GLN HGx H 1 2.213 0.015 A 53 GLN C C 13 176.469 0.2 A 53 GLN CA C 13 54.911 0.2 A 53 GLN CB C 13 29.675 0.2 A 53 GLN CD C 13 178.956 0.2 A 53 GLN CG C 13 33.733 0.2 A 53 GLN N N 15 115.482 0.2 A 53 GLN NE2 N 15 113.837 0.2 A 54 GLY H H 1 7.992 0.015 A 54 GLY HAx H 1 3.934 0.015 A 54 GLY HAy H 1 3.934 0.015 A 54 GLY C C 13 173.897 0.2 A 54 GLY CA C 13 46.574 0.2 A 54 GLY N N 15 110.111 0.2 A 55 ARG H H 1 7.652 0.015 A 55 ARG HA H 1 4.665 0.015 A 55 ARG HBy H 1 1.994 0.015 A 55 ARG HBx H 1 1.799 0.015 A 55 ARG HDy H 1 3.046 0.015 A 55 ARG HDx H 1 3.043 0.015 A 55 ARG HE H 1 7.215 0.015 A 55 ARG HGy H 1 1.444 0.015 A 55 ARG HGx H 1 1.370 0.015 A 55 ARG C C 13 174.649 0.2 A 55 ARG CA C 13 54.631 0.2 A 55 ARG CB C 13 32.166 0.2 A 55 ARG CD C 13 43.218 0.2 A 55 ARG CG C 13 25.279 0.2 A 55 ARG N N 15 114.214 0.2 A 55 ARG NE N 15 84.379 0.2 A 56 MET H H 1 8.593 0.015 A 56 MET HA H 1 5.012 0.015 A 56 MET HBy H 1 2.023 0.015 A 56 MET HBx H 1 1.955 0.015 A 56 MET HGy H 1 2.533 0.015 A 56 MET HGx H 1 2.408 0.015 A 56 MET C C 13 176.216 0.2 A 56 MET CA C 13 54.595 0.2 A 56 MET CB C 13 33.466 0.2 A 56 MET CG C 13 32.344 0.2 A 56 MET N N 15 121.270 0.2 A 57 ILE H H 1 9.393 0.015 A 57 ILE HA H 1 4.717 0.015 A 57 ILE HB H 1 1.740 0.015 A 57 ILE HD1% H 1 0.462 0.015 A 57 ILE HG1y H 1 1.267 0.015 A 57 ILE HG1x H 1 0.969 0.015 A 57 ILE HG2% H 1 0.820 0.015 A 57 ILE C C 13 173.883 0.2 A 57 ILE CA C 13 59.713 0.2 A 57 ILE CB C 13 40.933 0.2 A 57 ILE CD1 C 13 14.305 0.2 A 57 ILE CG1 C 13 26.517 0.2 A 57 ILE CG2 C 13 17.757 0.2 A 57 ILE N N 15 120.811 0.2 A 58 GLN H H 1 8.218 0.015 A 58 GLN HA H 1 5.407 0.015 A 58 GLN HBy H 1 1.933 0.015 A 58 GLN HBx H 1 1.682 0.015 A 58 GLN HE21 H 1 7.673 0.015 A 58 GLN HE22 H 1 6.545 0.015 A 58 GLN HGy H 1 2.354 0.015 A 58 GLN HGx H 1 2.232 0.015 A 58 GLN C C 13 175.368 0.2 A 58 GLN CA C 13 55.163 0.2 A 58 GLN CB C 13 30.841 0.2 A 58 GLN CD C 13 179.750 0.2 A 58 GLN CG C 13 34.769 0.2 A 58 GLN N N 15 122.281 0.2 A 58 GLN NE2 N 15 111.625 0.2 A 59 VAL H H 1 9.188 0.015 A 59 VAL HA H 1 5.025 0.015 A 59 VAL HB H 1 1.847 0.015 A 59 VAL HG1% H 1 0.784 0.015 A 59 VAL HG2% H 1 0.767 0.015 A 59 VAL C C 13 175.330 0.2 A 59 VAL CA C 13 59.975 0.2 A 59 VAL CB C 13 34.818 0.2 A 59 VAL CG1 C 13 21.897 0.2 A 59 VAL CG2 C 13 21.790 0.2 A 59 VAL N N 15 122.421 0.2 A 60 SER H H 1 9.022 0.015 A 60 SER HA H 1 5.811 0.015 A 60 SER HBy H 1 3.711 0.015 A 60 SER HBx H 1 3.665 0.015 A 60 SER C C 13 173.234 0.2 A 60 SER CA C 13 57.634 0.2 A 60 SER CB C 13 64.891 0.2 A 60 SER N N 15 124.709 0.2 A 61 ILE H H 1 9.226 0.015 A 61 ILE HA H 1 5.572 0.015 A 61 ILE HB H 1 2.139 0.015 A 61 ILE HD1% H 1 0.942 0.015 A 61 ILE HG1y H 1 1.586 0.015 A 61 ILE HG1x H 1 1.544 0.015 A 61 ILE HG2% H 1 0.958 0.015 A 61 ILE C C 13 173.955 0.2 A 61 ILE CA C 13 56.937 0.2 A 61 ILE CB C 13 39.596 0.2 A 61 ILE CD1 C 13 13.960 0.2 A 61 ILE CG1 C 13 25.793 0.2 A 61 ILE CG2 C 13 17.304 0.2 A 61 ILE N N 15 121.648 0.2 A 62 PRO HA H 1 4.606 0.015 A 62 PRO HBy H 1 2.655 0.015 A 62 PRO HBx H 1 2.162 0.015 A 62 PRO HDy H 1 4.478 0.015 A 62 PRO HDx H 1 3.784 0.015 A 62 PRO HGy H 1 2.240 0.015 A 62 PRO HGx H 1 2.159 0.015 A 62 PRO C C 13 178.143 0.2 A 62 PRO CA C 13 63.740 0.2 A 62 PRO CB C 13 33.303 0.2 A 62 PRO CD C 13 51.755 0.2 A 62 PRO CG C 13 27.925 0.2 A 63 ALA H H 1 7.803 0.015 A 63 ALA HA H 1 4.037 0.015 A 63 ALA HB% H 1 1.251 0.015 A 63 ALA C C 13 175.942 0.2 A 63 ALA CA C 13 54.417 0.2 A 63 ALA CB C 13 19.345 0.2 A 63 ALA N N 15 123.695 0.2 A 64 SER H H 1 7.719 0.015 A 64 SER HA H 1 4.097 0.015 A 64 SER HBy H 1 4.011 0.015 A 64 SER HBx H 1 3.878 0.015 A 64 SER C C 13 175.199 0.2 A 64 SER CA C 13 59.474 0.2 A 64 SER CB C 13 62.125 0.2 A 64 SER N N 15 110.001 0.2 A 65 VAL H H 1 7.790 0.015 A 65 VAL HA H 1 4.360 0.015 A 65 VAL HB H 1 2.154 0.015 A 65 VAL HG1% H 1 1.171 0.015 A 65 VAL HG2% H 1 1.103 0.015 A 65 VAL C C 13 174.433 0.2 A 65 VAL CA C 13 60.335 0.2 A 65 VAL CB C 13 32.714 0.2 A 65 VAL CG1 C 13 21.151 0.2 A 65 VAL CG2 C 13 21.468 0.2 A 65 VAL N N 15 126.142 0.2 A 66 PRO HA H 1 4.369 0.015 A 66 PRO HBy H 1 2.366 0.015 A 66 PRO HBx H 1 1.806 0.015 A 66 PRO HDy H 1 4.100 0.015 A 66 PRO HDx H 1 3.704 0.015 A 66 PRO HGy H 1 2.046 0.015 A 66 PRO HGx H 1 1.984 0.015 A 66 PRO C C 13 177.412 0.2 A 66 PRO CA C 13 63.104 0.2 A 66 PRO CB C 13 32.558 0.2 A 66 PRO CD C 13 51.303 0.2 A 66 PRO CG C 13 27.500 0.2 A 67 LEU H H 1 8.578 0.015 A 67 LEU HA H 1 3.875 0.015 A 67 LEU HBy H 1 1.632 0.015 A 67 LEU HBx H 1 1.430 0.015 A 67 LEU HD1% H 1 1.121 0.015 A 67 LEU HD2% H 1 0.919 0.015 A 67 LEU HG H 1 1.498 0.015 A 67 LEU C C 13 176.077 0.2 A 67 LEU CA C 13 56.413 0.2 A 67 LEU CB C 13 43.279 0.2 A 67 LEU CD1 C 13 24.284 0.2 A 67 LEU CD2 C 13 25.824 0.2 A 67 LEU CG C 13 26.888 0.2 A 67 LEU N N 15 124.236 0.2 A 68 LYS H H 1 7.994 0.015 A 68 LYS HA H 1 3.793 0.015 A 68 LYS HBy H 1 1.325 0.015 A 68 LYS HBx H 1 -0.079 0.015 A 68 LYS HDx H 1 0.88 0.015 A 68 LYS HDy H 1 0.88 0.015 A 68 LYS HEy H 1 3.069 0.015 A 68 LYS HEx H 1 2.753 0.015 A 68 LYS HGy H 1 1.189 0.015 A 68 LYS HGx H 1 0.460 0.015 A 68 LYS C C 13 175.601 0.2 A 68 LYS CA C 13 53.350 0.2 A 68 LYS CB C 13 31.035 0.2 A 68 LYS CD C 13 27.08 0.2 A 68 LYS CE C 13 42.77 0.2 A 68 LYS CG C 13 23.178 0.2 A 68 LYS N N 15 124.053 0.2 A 69 GLU H H 1 8.347 0.015 A 69 GLU HA H 1 4.501 0.015 A 69 GLU HBy H 1 2.117 0.015 A 69 GLU HBx H 1 1.688 0.015 A 69 GLU HGx H 1 1.975 0.015 A 69 GLU HGy H 1 1.975 0.015 A 69 GLU C C 13 175.304 0.2 A 69 GLU CA C 13 54.291 0.2 A 69 GLU CB C 13 29.285 0.2 A 69 GLU CG C 13 36.818 0.2 A 69 GLU N N 15 123.876 0.2 A 70 PHE H H 1 5.549 0.015 A 70 PHE HA H 1 4.592 0.015 A 70 PHE HBy H 1 2.600 0.015 A 70 PHE HBx H 1 1.107 0.015 A 70 PHE HDx H 1 6.412 0.015 A 70 PHE HDy H 1 6.412 0.015 A 70 PHE HEx H 1 6.887 0.015 A 70 PHE HEy H 1 6.887 0.015 A 70 PHE HZ H 1 7.278 0.015 A 70 PHE C C 13 174.443 0.2 A 70 PHE CA C 13 53.313 0.2 A 70 PHE CB C 13 38.335 0.2 A 70 PHE CDx C 13 130.072 0.2 A 70 PHE CDy C 13 130.072 0.2 A 70 PHE CEx C 13 130.158 0.2 A 70 PHE CEy C 13 130.158 0.2 A 70 PHE CZ C 13 129.994 0.2 A 70 PHE N N 15 117.781 0.2 A 71 ASP H H 1 8.791 0.015 A 71 ASP HA H 1 4.535 0.015 A 71 ASP HBy H 1 2.704 0.015 A 71 ASP HBx H 1 2.447 0.015 A 71 ASP C C 13 175.867 0.2 A 71 ASP CA C 13 54.248 0.2 A 71 ASP CB C 13 41.166 0.2 A 71 ASP N N 15 120.385 0.2 A 72 TYR H H 1 8.701 0.015 A 72 TYR HA H 1 4.283 0.015 A 72 TYR HBy H 1 3.376 0.015 A 72 TYR HBx H 1 2.857 0.015 A 72 TYR HDx H 1 7.443 0.015 A 72 TYR HDy H 1 7.443 0.015 A 72 TYR HEx H 1 6.938 0.015 A 72 TYR HEy H 1 6.938 0.015 A 72 TYR C C 13 177.470 0.2 A 72 TYR CA C 13 60.513 0.2 A 72 TYR CB C 13 38.320 0.2 A 72 TYR CDx C 13 133.539 0.2 A 72 TYR CDy C 13 133.539 0.2 A 72 TYR CEx C 13 118.585 0.2 A 72 TYR CEy C 13 118.585 0.2 A 72 TYR N N 15 121.876 0.2 A 73 ASN H H 1 8.819 0.015 A 73 ASN HA H 1 4.096 0.015 A 73 ASN HBy H 1 2.986 0.015 A 73 ASN HBx H 1 2.886 0.015 A 73 ASN HD21 H 1 7.527 0.015 A 73 ASN HD22 H 1 6.802 0.015 A 73 ASN C C 13 174.362 0.2 A 73 ASN CA C 13 54.289 0.2 A 73 ASN CB C 13 36.907 0.2 A 73 ASN CG C 13 176.901 0.2 A 73 ASN N N 15 121.726 0.2 A 73 ASN ND2 N 15 110.987 0.2 A 74 ALA H H 1 8.059 0.015 A 74 ALA HA H 1 4.100 0.015 A 74 ALA HB% H 1 1.193 0.015 A 74 ALA C C 13 177.757 0.2 A 74 ALA CA C 13 53.153 0.2 A 74 ALA CB C 13 19.412 0.2 A 74 ALA N N 15 122.292 0.2 A 75 ARG H H 1 8.500 0.015 A 75 ARG HA H 1 4.758 0.015 A 75 ARG HBy H 1 1.885 0.015 A 75 ARG HBx H 1 1.767 0.015 A 75 ARG HDy H 1 3.232 0.015 A 75 ARG HDx H 1 3.178 0.015 A 75 ARG HGy H 1 1.823 0.015 A 75 ARG HGx H 1 1.594 0.015 A 75 ARG C C 13 176.812 0.2 A 75 ARG CA C 13 56.646 0.2 A 75 ARG CB C 13 29.375 0.2 A 75 ARG CD C 13 43.057 0.2 A 75 ARG CG C 13 28.003 0.2 A 75 ARG N N 15 122.871 0.2 A 76 VAL H H 1 7.965 0.015 A 76 VAL HA H 1 5.230 0.015 A 76 VAL HB H 1 1.958 0.015 A 76 VAL HG1% H 1 0.397 0.015 A 76 VAL HG2% H 1 0.498 0.015 A 76 VAL C C 13 173.758 0.2 A 76 VAL CA C 13 58.193 0.2 A 76 VAL CB C 13 36.536 0.2 A 76 VAL CG1 C 13 22.243 0.2 A 76 VAL CG2 C 13 18.907 0.2 A 76 VAL N N 15 116.220 0.2 A 77 GLU H H 1 9.166 0.015 A 77 GLU HA H 1 4.663 0.015 A 77 GLU HBy H 1 1.866 0.015 A 77 GLU HBx H 1 1.605 0.015 A 77 GLU HGy H 1 2.084 0.015 A 77 GLU HGx H 1 2.024 0.015 A 77 GLU C C 13 174.940 0.2 A 77 GLU CA C 13 53.546 0.2 A 77 GLU CB C 13 33.395 0.2 A 77 GLU CG C 13 35.698 0.2 A 77 GLU N N 15 116.413 0.2 A 78 LEU H H 1 8.670 0.015 A 78 LEU HA H 1 4.677 0.015 A 78 LEU HBy H 1 1.684 0.015 A 78 LEU HBx H 1 0.890 0.015 A 78 LEU HD1% H 1 0.390 0.015 A 78 LEU HD2% H 1 0.608 0.015 A 78 LEU HG H 1 1.487 0.015 A 78 LEU C C 13 176.036 0.2 A 78 LEU CA C 13 53.091 0.2 A 78 LEU CB C 13 43.276 0.2 A 78 LEU CD1 C 13 25.746 0.2 A 78 LEU CD2 C 13 24.554 0.2 A 78 LEU CG C 13 26.321 0.2 A 78 LEU N N 15 117.927 0.2 A 79 ILE H H 1 7.900 0.015 A 79 ILE HA H 1 4.312 0.015 A 79 ILE HB H 1 1.809 0.015 A 79 ILE HD1% H 1 0.648 0.015 A 79 ILE HG1y H 1 1.326 0.015 A 79 ILE HG1x H 1 1.209 0.015 A 79 ILE HG2% H 1 0.942 0.015 A 79 ILE C C 13 175.179 0.2 A 79 ILE CA C 13 58.294 0.2 A 79 ILE CB C 13 36.086 0.2 A 79 ILE CD1 C 13 9.456 0.2 A 79 ILE CG1 C 13 26.608 0.2 A 79 ILE CG2 C 13 16.927 0.2 A 79 ILE N N 15 121.667 0.2 A 80 ASN H H 1 9.412 0.015 A 80 ASN HA H 1 4.516 0.015 A 80 ASN HBy H 1 2.967 0.015 A 80 ASN HBx H 1 2.752 0.015 A 80 ASN HD21 H 1 7.984 0.015 A 80 ASN HD22 H 1 6.830 0.015 A 80 ASN C C 13 170.300 0.2 A 80 ASN CA C 13 54.198 0.2 A 80 ASN CB C 13 37.450 0.2 A 80 ASN CG C 13 177.660 0.2 A 80 ASN N N 15 123.831 0.2 A 80 ASN ND2 N 15 113.668 0.2 A 81 PRO HA H 1 5.185 0.015 A 81 PRO HBx H 1 1.781 0.015 A 81 PRO HBy H 1 1.781 0.015 A 81 PRO HDy H 1 3.867 0.015 A 81 PRO HDx H 1 3.237 0.015 A 81 PRO HGy H 1 2.432 0.015 A 81 PRO HGx H 1 1.997 0.015 A 81 PRO C C 13 176.865 0.2 A 81 PRO CA C 13 62.637 0.2 A 81 PRO CB C 13 32.965 0.2 A 81 PRO CD C 13 50.168 0.2 A 81 PRO CG C 13 27.506 0.2 A 82 ILE H H 1 9.374 0.015 A 82 ILE HA H 1 4.524 0.015 A 82 ILE HB H 1 1.812 0.015 A 82 ILE HD1% H 1 0.838 0.015 A 82 ILE HG1y H 1 1.472 0.015 A 82 ILE HG1x H 1 1.101 0.015 A 82 ILE HG2% H 1 0.887 0.015 A 82 ILE C C 13 174.731 0.2 A 82 ILE CA C 13 60.205 0.2 A 82 ILE CB C 13 41.737 0.2 A 82 ILE CD1 C 13 13.132 0.2 A 82 ILE CG1 C 13 26.957 0.2 A 82 ILE CG2 C 13 17.369 0.2 A 82 ILE N N 15 121.658 0.2 A 83 ALA H H 1 8.819 0.015 A 83 ALA HA H 1 4.773 0.015 A 83 ALA HB% H 1 1.425 0.015 A 83 ALA C C 13 176.550 0.2 A 83 ALA CA C 13 52.069 0.2 A 83 ALA CB C 13 20.374 0.2 A 83 ALA N N 15 127.933 0.2 A 84 ASP H H 1 8.710 0.015 A 84 ASP HA H 1 4.894 0.015 A 84 ASP HBy H 1 2.815 0.015 A 84 ASP HBx H 1 2.485 0.015 A 84 ASP C C 13 175.997 0.2 A 84 ASP CA C 13 53.334 0.2 A 84 ASP CB C 13 42.104 0.2 A 84 ASP N N 15 122.009 0.2 A 85 THR H H 1 8.349 0.015 A 85 THR HA H 1 4.420 0.015 A 85 THR HB H 1 4.181 0.015 A 85 THR HG2% H 1 1.086 0.015 A 85 THR C C 13 175.085 0.2 A 85 THR CA C 13 62.304 0.2 A 85 THR CB C 13 69.718 0.2 A 85 THR CG2 C 13 21.762 0.2 A 85 THR N N 15 114.986 0.2 A 86 VAL H H 1 8.188 0.015 A 86 VAL HA H 1 4.021 0.015 A 86 VAL HB H 1 2.024 0.015 A 86 VAL HGx% H 1 0.865 0.015 A 86 VAL HGy% H 1 0.856 0.015 A 86 VAL C C 13 176.519 0.2 A 86 VAL CA C 13 63.046 0.2 A 86 VAL CB C 13 32.526 0.2 A 86 VAL CGy C 13 21.21 0.2 A 86 VAL CGx C 13 21.08 0.2 A 86 VAL N N 15 122.275 0.2 A 87 ALA H H 1 8.194 0.015 A 87 ALA HA H 1 4.212 0.015 A 87 ALA HB% H 1 1.271 0.015 A 87 ALA C C 13 178.118 0.2 A 87 ALA CA C 13 53.153 0.2 A 87 ALA CB C 13 19.165 0.2 A 87 ALA N N 15 126.609 0.2 A 88 THR H H 1 7.914 0.015 A 88 THR HA H 1 4.173 0.015 A 88 THR HB H 1 4.214 0.015 A 88 THR HG2% H 1 1.193 0.015 A 88 THR C C 13 174.516 0.2 A 88 THR CA C 13 62.785 0.2 A 88 THR CB C 13 69.582 0.2 A 88 THR CG2 C 13 21.797 0.2 A 88 THR N N 15 112.328 0.2 A 89 ALA H H 1 8.076 0.015 A 89 ALA HA H 1 4.320 0.015 A 89 ALA HB% H 1 1.361 0.015 A 89 ALA C C 13 178.014 0.2 A 89 ALA CA C 13 53.079 0.2 A 89 ALA CB C 13 19.335 0.2 A 89 ALA N N 15 124.632 0.2 A 90 THR H H 1 7.976 0.015 A 90 THR HA H 1 4.203 0.015 A 90 THR HB H 1 4.069 0.015 A 90 THR HG2% H 1 1.025 0.015 A 90 THR C C 13 174.427 0.2 A 90 THR CA C 13 62.519 0.2 A 90 THR CB C 13 69.721 0.2 A 90 THR CG2 C 13 21.448 0.2 A 90 THR N N 15 112.047 0.2 A 91 TYR H H 1 7.959 0.015 A 91 TYR HA H 1 4.564 0.015 A 91 TYR HBy H 1 3.034 0.015 A 91 TYR HBx H 1 2.925 0.015 A 91 TYR HDx H 1 7.048 0.015 A 91 TYR HDy H 1 7.048 0.015 A 91 TYR HEx H 1 6.759 0.015 A 91 TYR HEy H 1 6.759 0.015 A 91 TYR C C 13 175.522 0.2 A 91 TYR CA C 13 57.874 0.2 A 91 TYR CB C 13 38.584 0.2 A 91 TYR CDx C 13 133.359 0.2 A 91 TYR CDy C 13 133.359 0.2 A 91 TYR CEx C 13 118.148 0.2 A 91 TYR CEy C 13 118.148 0.2 A 91 TYR N N 15 121.184 0.2 A 92 GLN H H 1 8.310 0.015 A 92 GLN HA H 1 4.258 0.015 A 92 GLN HBy H 1 2.094 0.015 A 92 GLN HBx H 1 1.916 0.015 A 92 GLN HE21 H 1 7.479 0.015 A 92 GLN HE22 H 1 6.836 0.015 A 92 GLN HGx H 1 2.248 0.015 A 92 GLN HGy H 1 2.248 0.015 A 92 GLN C C 13 176.099 0.2 A 92 GLN CA C 13 56.109 0.2 A 92 GLN CB C 13 29.112 0.2 A 92 GLN CD C 13 180.499 0.2 A 92 GLN CG C 13 33.780 0.2 A 92 GLN N N 15 121.631 0.2 A 92 GLN NE2 N 15 112.421 0.2 A 93 GLY H H 1 8.052 0.015 A 93 GLY HAy H 1 4.023 0.015 A 93 GLY HAx H 1 3.856 0.015 A 93 GLY C C 13 173.791 0.2 A 93 GLY CA C 13 45.382 0.2 A 93 GLY N N 15 109.847 0.2 A 94 ALA H H 1 8.162 0.015 A 94 ALA HA H 1 4.329 0.015 A 94 ALA HB% H 1 1.344 0.015 A 94 ALA C C 13 177.392 0.2 A 94 ALA CA C 13 52.558 0.2 A 94 ALA CB C 13 19.526 0.2 A 94 ALA N N 15 123.424 0.2 A 95 ASP H H 1 8.457 0.015 A 95 ASP HA H 1 4.608 0.015 A 95 ASP HBy H 1 2.703 0.015 A 95 ASP HBx H 1 2.616 0.015 A 95 ASP C C 13 175.630 0.2 A 95 ASP CA C 13 54.450 0.2 A 95 ASP CB C 13 40.871 0.2 A 95 ASP N N 15 118.814 0.2 A 96 VAL H H 1 7.776 0.015 A 96 VAL HA H 1 4.141 0.015 A 96 VAL HB H 1 1.936 0.015 A 96 VAL HG1% H 1 0.646 0.015 A 96 VAL HG2% H 1 0.746 0.015 A 96 VAL C C 13 175.301 0.2 A 96 VAL CA C 13 61.435 0.2 A 96 VAL CB C 13 33.517 0.2 A 96 VAL CG1 C 13 21.404 0.2 A 96 VAL CG2 C 13 20.127 0.2 A 96 VAL N N 15 118.395 0.2 A 97 ASP H H 1 8.315 0.015 A 97 ASP HA H 1 4.681 0.015 A 97 ASP HBx H 1 2.484 0.015 A 97 ASP HBy H 1 2.484 0.015 A 97 ASP C C 13 175.151 0.2 A 97 ASP CA C 13 54.324 0.2 A 97 ASP CB C 13 41.963 0.2 A 97 ASP N N 15 123.905 0.2 A 98 TRP H H 1 8.21 0.015 A 98 TRP HA H 1 4.916 0.015 A 98 TRP HBy H 1 3.203 0.015 A 98 TRP HBx H 1 3.090 0.015 A 98 TRP HD1 H 1 7.214 0.015 A 98 TRP HE1 H 1 10.090 0.015 A 98 TRP HE3 H 1 7.478 0.015 A 98 TRP HH2 H 1 7.052 0.015 A 98 TRP HZ2 H 1 7.375 0.015 A 98 TRP HZ3 H 1 6.936 0.015 A 98 TRP C C 13 174.585 0.2 A 98 TRP CA C 13 56.164 0.2 A 98 TRP CB C 13 31.466 0.2 A 98 TRP CD1 C 13 126.256 0.2 A 98 TRP CE3 C 13 120.315 0.2 A 98 TRP CH2 C 13 124.288 0.2 A 98 TRP CZ2 C 13 114.638 0.2 A 98 TRP CZ3 C 13 121.311 0.2 A 98 TRP N N 15 120.34 0.2 A 98 TRP NE1 N 15 128.965 0.2 A 99 TYR H H 1 8.760 0.015 A 99 TYR HA H 1 5.119 0.015 A 99 TYR HBy H 1 3.015 0.015 A 99 TYR HBx H 1 2.986 0.015 A 99 TYR HDx H 1 7.087 0.015 A 99 TYR HDy H 1 7.087 0.015 A 99 TYR HEx H 1 6.704 0.015 A 99 TYR HEy H 1 6.704 0.015 A 99 TYR C C 13 174.599 0.2 A 99 TYR CA C 13 57.021 0.2 A 99 TYR CB C 13 39.526 0.2 A 99 TYR CDx C 13 133.296 0.2 A 99 TYR CDy C 13 133.296 0.2 A 99 TYR CEx C 13 118.238 0.2 A 99 TYR CEy C 13 118.238 0.2 A 99 TYR N N 15 123.319 0.2 A 100 ILE H H 1 8.936 0.015 A 100 ILE HA H 1 4.850 0.015 A 100 ILE HB H 1 2.061 0.015 A 100 ILE HD1% H 1 0.677 0.015 A 100 ILE HG1y H 1 1.368 0.015 A 100 ILE HG1x H 1 1.167 0.015 A 100 ILE HG2% H 1 0.821 0.015 A 100 ILE C C 13 175.070 0.2 A 100 ILE CA C 13 58.998 0.2 A 100 ILE CB C 13 40.667 0.2 A 100 ILE CD1 C 13 13.329 0.2 A 100 ILE CG1 C 13 27.744 0.2 A 100 ILE CG2 C 13 18.519 0.2 A 100 ILE N N 15 123.281 0.2 A 101 LYS H H 1 8.987 0.015 A 101 LYS HA H 1 5.313 0.015 A 101 LYS HBy H 1 1.969 0.015 A 101 LYS HBx H 1 1.749 0.015 A 101 LYS HDx H 1 1.700 0.015 A 101 LYS HDy H 1 1.700 0.015 A 101 LYS HEx H 1 2.980 0.015 A 101 LYS HEy H 1 2.980 0.015 A 101 LYS HGy H 1 1.486 0.015 A 101 LYS HGx H 1 1.412 0.015 A 101 LYS C C 13 174.440 0.2 A 101 LYS CA C 13 54.763 0.2 A 101 LYS CB C 13 34.880 0.2 A 101 LYS CD C 13 29.398 0.2 A 101 LYS CE C 13 42.030 0.2 A 101 LYS CG C 13 25.300 0.2 A 101 LYS N N 15 126.210 0.2 A 102 ALA H H 1 8.531 0.015 A 102 ALA HA H 1 4.957 0.015 A 102 ALA HB% H 1 1.188 0.015 A 102 ALA C C 13 175.024 0.2 A 102 ALA CA C 13 50.701 0.2 A 102 ALA CB C 13 21.618 0.2 A 102 ALA N N 15 121.424 0.2 A 103 ASP H H 1 8.339 0.015 A 103 ASP HA H 1 4.603 0.015 A 103 ASP HBy H 1 2.722 0.015 A 103 ASP HBx H 1 2.359 0.015 A 103 ASP C C 13 176.188 0.2 A 103 ASP CA C 13 56.049 0.2 A 103 ASP CB C 13 40.932 0.2 A 103 ASP N N 15 117.773 0.2 A 104 ASP H H 1 7.482 0.015 A 104 ASP HA H 1 4.727 0.015 A 104 ASP HBy H 1 2.705 0.015 A 104 ASP HBx H 1 2.185 0.015 A 104 ASP C C 13 174.261 0.2 A 104 ASP CA C 13 52.768 0.2 A 104 ASP CB C 13 42.587 0.2 A 104 ASP N N 15 110.673 0.2 A 105 ILE H H 1 9.267 0.015 A 105 ILE HA H 1 4.631 0.015 A 105 ILE HB H 1 1.326 0.015 A 105 ILE HD1% H 1 0.627 0.015 A 105 ILE HG1y H 1 1.572 0.015 A 105 ILE HG1x H 1 0.740 0.015 A 105 ILE HG2% H 1 0.778 0.015 A 105 ILE C C 13 173.922 0.2 A 105 ILE CA C 13 61.114 0.2 A 105 ILE CB C 13 42.522 0.2 A 105 ILE CD1 C 13 14.954 0.2 A 105 ILE CG1 C 13 26.623 0.2 A 105 ILE CG2 C 13 17.952 0.2 A 105 ILE N N 15 121.380 0.2 A 106 VAL H H 1 8.592 0.015 A 106 VAL HA H 1 4.975 0.015 A 106 VAL HB H 1 2.135 0.015 A 106 VAL HG1% H 1 0.748 0.015 A 106 VAL HG2% H 1 0.591 0.015 A 106 VAL C C 13 175.049 0.2 A 106 VAL CA C 13 58.028 0.2 A 106 VAL CB C 13 35.388 0.2 A 106 VAL CG1 C 13 21.666 0.2 A 106 VAL CG2 C 13 18.815 0.2 A 106 VAL N N 15 116.356 0.2 A 107 LEU H H 1 8.360 0.015 A 107 LEU HA H 1 4.167 0.015 A 107 LEU HBy H 1 1.357 0.015 A 107 LEU HBx H 1 1.300 0.015 A 107 LEU HD1% H 1 0.672 0.015 A 107 LEU HD2% H 1 0.194 0.015 A 107 LEU HG H 1 0.954 0.015 A 107 LEU C C 13 178.338 0.2 A 107 LEU CA C 13 55.077 0.2 A 107 LEU CB C 13 42.394 0.2 A 107 LEU CD1 C 13 25.255 0.2 A 107 LEU CD2 C 13 22.795 0.2 A 107 LEU CG C 13 26.195 0.2 A 107 LEU N N 15 121.368 0.2 A 108 THR H H 1 7.977 0.015 A 108 THR HA H 1 4.039 0.015 A 108 THR HB H 1 3.703 0.015 A 108 THR HG2% H 1 1.053 0.015 A 108 THR C C 13 174.725 0.2 A 108 THR CA C 13 63.513 0.2 A 108 THR CB C 13 69.194 0.2 A 108 THR CG2 C 13 21.784 0.2 A 108 THR N N 15 118.728 0.2 A 109 LEU H H 1 8.378 0.015 A 109 LEU HA H 1 4.274 0.015 A 109 LEU HBy H 1 1.524 0.015 A 109 LEU HBx H 1 1.463 0.015 A 109 LEU HD1% H 1 0.861 0.015 A 109 LEU HD2% H 1 0.806 0.015 A 109 LEU HG H 1 1.535 0.015 A 109 LEU C C 13 177.058 0.2 A 109 LEU CA C 13 55.045 0.2 A 109 LEU CB C 13 42.620 0.2 A 109 LEU CD1 C 13 24.943 0.2 A 109 LEU CD2 C 13 23.548 0.2 A 109 LEU CG C 13 27.053 0.2 A 109 LEU N N 15 124.847 0.2 A 110 GLU H H 1 8.145 0.015 A 110 GLU HA H 1 4.146 0.015 A 110 GLU HBy H 1 1.905 0.015 A 110 GLU HBx H 1 1.830 0.015 A 110 GLU HGy H 1 2.172 0.015 A 110 GLU HGx H 1 2.107 0.015 A 110 GLU C C 13 176.273 0.2 A 110 GLU CA C 13 56.628 0.2 A 110 GLU CB C 13 30.371 0.2 A 110 GLU CG C 13 36.241 0.2 A 110 GLU N N 15 120.886 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 32 ASN HD22 A 38 SER HA 1.0 1.8 4.83 2 2 A 38 SER HA A 32 ASN HD21 1.0 1.8 4.83 3 3 A 32 ASN HD22 A 38 SER HBy 1.0 1.8 4.96 4 4 A 32 ASN HD21 A 38 SER HBy 1.0 1.8 4.96 5 5 A 32 ASN HD21 A 32 ASN HBy 1.0 1.8 3.94 6 6 A 32 ASN HD22 A 32 ASN HA 1.0 1.8 5.02 7 7 A 32 ASN HD21 A 32 ASN HA 1.0 1.8 5.02 8 8 A 72 TYR HE% A 73 ASN HD21 1.0 1.8 4.66 9 9 A 72 TYR HE% A 73 ASN HD22 1.0 1.8 4.66 10 10 A 31 GLN HE21 A 35 GLY HAy 1.0 1.8 5.10 11 11 A 92 GLN HE21 A 92 GLN HGx 1.0 1.8 4.43 12 11 A 92 GLN HGy A 92 GLN HE21 1.0 1.8 4.43 13 12 A 2 MET HA A 3 ARG H 1.0 1.8 3.41 14 13 A 30 ILE H A 38 SER HBx 1.0 1.8 4.66 15 14 A 38 SER HA A 39 ASP H 1.0 1.8 3.09 16 15 A 44 ARG HA A 45 THR H 1.0 1.8 3.70 17 16 A 20 LYS HA A 76 VAL H 1.0 1.8 4.81 18 17 A 5 ALA H A 5 ALA HB% 1.0 1.8 3.65 19 18 A 8 ILE H A 8 ILE HB 1.0 1.8 4.15 20 19 A 9 VAL H A 9 VAL HB 1.0 1.8 3.70 21 20 A 14 THR H A 14 THR HB 1.0 1.8 4.22 22 21 A 15 THR H A 15 THR HB 1.0 1.8 4.30 23 22 A 23 ALA H A 23 ALA HB% 1.0 1.8 4.05 24 23 A 28 VAL H A 28 VAL HB 1.0 1.8 4.21 25 24 A 30 ILE H A 30 ILE HB 1.0 1.8 3.52 26 25 A 37 VAL H A 37 VAL HB 1.0 1.8 3.49 27 26 A 41 ILE H A 41 ILE HB 1.0 1.8 3.59 28 27 A 45 THR H A 45 THR HB 1.0 1.8 4.17 29 28 A 59 VAL H A 59 VAL HB 1.0 1.8 4.41 30 29 A 63 ALA H A 63 ALA HB% 1.0 1.8 3.55 31 30 A 65 VAL H A 65 VAL HB 1.0 1.8 3.73 32 31 A 74 ALA H A 74 ALA HB% 1.0 1.8 3.33 33 32 A 79 ILE H A 79 ILE HB 1.0 1.8 4.25 34 33 A 82 ILE H A 82 ILE HB 1.0 1.8 4.43 35 34 A 83 ALA H A 83 ALA HB% 1.0 1.8 3.67 36 35 A 86 VAL H A 86 VAL HB 1.0 1.8 4.23 37 36 A 87 ALA H A 87 ALA HB% 1.0 1.8 3.60 38 37 A 89 ALA H A 89 ALA HB% 1.0 1.8 3.71 39 38 A 90 THR H A 90 THR HB 1.0 1.8 4.18 40 39 A 94 ALA H A 94 ALA HB% 1.0 1.8 3.40 41 40 A 96 VAL H A 96 VAL HB 1.0 1.8 4.23 42 41 A 102 ALA H A 102 ALA HB% 1.0 1.8 3.95 43 42 A 105 ILE H A 105 ILE HB 1.0 1.8 4.30 44 43 A 108 THR H A 108 THR HB 1.0 1.8 4.11 45 44 A 3 ARG H A 3 ARG HBy 1.0 1.8 4.18 46 45 A 10 LEU H A 10 LEU HBx 1.0 1.8 4.16 47 45 A 10 LEU H A 10 LEU HBy 1.0 1.8 4.16 48 46 A 11 ASP H A 11 ASP HBy 1.0 1.8 4.26 49 47 A 12 LYS H A 12 LYS HBx 1.0 1.8 4.48 50 47 A 12 LYS H A 12 LYS HBy 1.0 1.8 4.48 51 48 A 13 ASP H A 13 ASP HBx 1.0 1.8 3.62 52 48 A 13 ASP H A 13 ASP HBy 1.0 1.8 3.62 53 49 A 16 PHE H A 16 PHE HBy 1.0 1.8 4.59 54 50 A 18 GLU H A 18 GLU HBx 1.0 1.8 3.39 55 50 A 18 GLU H A 18 GLU HBy 1.0 1.8 3.39 56 51 A 21 PHE H A 21 PHE HBx 1.0 1.8 4.28 57 52 A 24 LEU H A 24 LEU HBy 1.0 1.8 3.86 58 53 A 27 GLU H A 27 GLU HBx 1.0 1.8 4.36 59 54 A 29 ARG H A 29 ARG HBy 1.0 1.8 4.17 60 55 A 31 GLN H A 31 GLN HBx 1.0 1.8 3.78 61 56 A 33 GLU H A 33 GLU HBx 1.0 1.8 3.43 62 56 A 33 GLU H A 33 GLU HBy 1.0 1.8 3.43 63 57 A 34 ASP H A 34 ASP HBy 1.0 1.8 3.96 64 58 A 36 SER H A 36 SER HBy 1.0 1.8 4.37 65 59 A 42 LYS H A 42 LYS HBy 1.0 1.8 4.20 66 60 A 49 LYS H A 49 LYS HBy 1.0 1.8 4.62 67 61 A 55 ARG H A 55 ARG HBy 1.0 1.8 4.57 68 62 A 60 SER H A 60 SER HBy 1.0 1.8 4.62 69 63 A 64 SER H A 64 SER HBy 1.0 1.8 4.57 70 64 A 67 LEU H A 67 LEU HBy 1.0 1.8 3.71 71 65 A 68 LYS H A 68 LYS HBx 1.0 1.8 4.50 72 66 A 69 GLU H A 69 GLU HBx 1.0 1.8 4.60 73 67 A 70 PHE H A 70 PHE HBy 1.0 1.8 4.18 74 68 A 71 ASP H A 71 ASP HBy 1.0 1.8 3.98 75 69 A 72 TYR H A 72 TYR HBy 1.0 1.8 3.83 76 70 A 75 ARG H A 75 ARG HBy 1.0 1.8 4.07 77 71 A 77 GLU H A 77 GLU HBy 1.0 1.8 4.55 78 72 A 78 LEU H A 78 LEU HBy 1.0 1.8 4.54 79 73 A 84 ASP H A 84 ASP HBy 1.0 1.8 4.15 80 74 A 91 TYR H A 91 TYR HBy 1.0 1.8 4.28 81 75 A 92 GLN H A 92 GLN HBy 1.0 1.8 4.10 82 76 A 95 ASP H A 95 ASP HBy 1.0 1.8 4.38 83 77 A 97 ASP H A 97 ASP HBx 1.0 1.8 3.96 84 77 A 97 ASP H A 97 ASP HBy 1.0 1.8 3.96 85 78 A 103 ASP H A 103 ASP HBx 1.0 1.8 4.02 86 79 A 103 ASP HBx A 104 ASP H 1.0 1.8 4.18 87 80 A 107 LEU H A 107 LEU HBy 1.0 1.8 4.04 88 81 A 109 LEU H A 109 LEU HG 1.0 1.8 3.44 89 82 A 110 GLU H A 110 GLU HBy 1.0 1.8 4.20 90 83 A 3 ARG H A 3 ARG HBx 1.0 1.8 4.18 91 84 A 11 ASP H A 11 ASP HBx 1.0 1.8 4.26 92 85 A 16 PHE H A 16 PHE HBx 1.0 1.8 4.59 93 86 A 20 LYS H A 20 LYS HGy 1.0 1.8 5.15 94 87 A 21 PHE H A 21 PHE HBy 1.0 1.8 4.23 95 88 A 24 LEU H A 24 LEU HBx 1.0 1.8 3.98 96 89 A 26 ARG H A 25 ARG HBx 1.0 1.8 4.41 97 89 A 25 ARG HBy A 26 ARG H 1.0 1.8 4.41 98 90 A 27 GLU H A 27 GLU HBy 1.0 1.8 3.87 99 91 A 29 ARG H A 29 ARG HBx 1.0 1.8 4.17 100 92 A 31 GLN H A 31 GLN HBy 1.0 1.8 3.60 101 93 A 32 ASN HBy A 32 ASN H 1.0 1.8 3.58 102 94 A 34 ASP H A 34 ASP HBx 1.0 1.8 3.96 103 95 A 36 SER H A 36 SER HBx 1.0 1.8 4.37 104 96 A 38 SER HBx A 38 SER H 1.0 1.8 3.79 105 97 A 39 ASP H A 39 ASP HBx 1.0 1.8 3.96 106 98 A 40 GLU H A 40 GLU HBx 1.0 1.8 3.23 107 98 A 40 GLU H A 40 GLU HBy 1.0 1.8 3.23 108 99 A 42 LYS H A 42 LYS HBx 1.0 1.8 4.20 109 100 A 47 ASP H A 46 TYR HBx 1.0 1.8 4.77 110 101 A 55 ARG H A 55 ARG HBx 1.0 1.8 4.57 111 102 A 57 ILE HB A 58 GLN H 1.0 1.8 4.20 112 103 A 60 SER H A 60 SER HBx 1.0 1.8 4.62 113 104 A 64 SER H A 64 SER HBx 1.0 1.8 4.57 114 105 A 67 LEU H A 67 LEU HBx 1.0 1.8 3.71 115 106 A 69 GLU H A 69 GLU HBy 1.0 1.8 3.95 116 107 A 70 PHE H A 70 PHE HBx 1.0 1.8 4.18 117 108 A 71 ASP H A 71 ASP HBx 1.0 1.8 3.98 118 109 A 72 TYR H A 72 TYR HBx 1.0 1.8 3.83 119 110 A 75 ARG H A 75 ARG HBx 1.0 1.8 4.07 120 111 A 77 GLU H A 77 GLU HBx 1.0 1.8 4.55 121 112 A 78 LEU H A 78 LEU HBx 1.0 1.8 4.54 122 113 A 103 ASP HBx A 80 ASN H 1.0 1.8 5.62 123 114 A 84 ASP H A 84 ASP HBx 1.0 1.8 4.15 124 115 A 91 TYR H A 91 TYR HBx 1.0 1.8 4.28 125 116 A 92 GLN H A 92 GLN HBx 1.0 1.8 4.10 126 117 A 103 ASP H A 103 ASP HBy 1.0 1.8 4.22 127 118 A 107 LEU H A 107 LEU HBx 1.0 1.8 4.04 128 119 A 109 LEU H A 109 LEU HBx 1.0 1.8 4.35 129 120 A 110 GLU H A 110 GLU HBx 1.0 1.8 4.20 130 121 A 5 ALA H A 6 ASN H 1.0 1.8 5.04 131 122 A 15 THR H A 16 PHE H 1.0 1.8 4.69 132 123 A 23 ALA H A 24 LEU H 1.0 1.8 5.10 133 124 A 26 ARG H A 25 ARG H 1.0 1.8 4.28 134 125 A 27 GLU H A 26 ARG H 1.0 1.8 5.14 135 126 A 28 VAL H A 27 GLU H 1.0 1.8 4.62 136 127 A 28 VAL H A 29 ARG H 1.0 1.8 5.32 137 128 A 30 ILE H A 29 ARG H 1.0 1.8 5.12 138 129 A 30 ILE H A 31 GLN H 1.0 1.8 5.09 139 130 A 31 GLN H A 32 ASN H 1.0 1.8 4.98 140 131 A 33 GLU H A 32 ASN H 1.0 1.8 5.25 141 132 A 33 GLU H A 34 ASP H 1.0 1.8 4.18 142 133 A 36 SER H A 35 GLY H 1.0 1.8 3.67 143 134 A 39 ASP H A 40 GLU H 1.0 1.8 3.45 144 135 A 41 ILE H A 40 GLU H 1.0 1.8 5.08 145 136 A 42 LYS H A 43 GLU H 1.0 1.8 3.81 146 137 A 43 GLU H A 44 ARG H 1.0 1.8 4.84 147 138 A 49 LYS H A 50 SER H 1.0 1.8 5.59 148 139 A 50 SER H A 57 ILE H 1.0 1.8 5.90 149 140 A 53 GLN H A 54 GLY H 1.0 1.8 4.66 150 141 A 55 ARG H A 54 GLY H 1.0 1.8 4.23 151 142 A 55 ARG H A 56 MET H 1.0 1.8 5.32 152 143 A 59 VAL H A 60 SER H 1.0 1.8 5.26 153 144 A 63 ALA H A 64 SER H 1.0 1.8 3.48 154 145 A 65 VAL H A 64 SER H 1.0 1.8 3.82 155 146 A 68 LYS H A 69 GLU H 1.0 1.8 5.27 156 147 A 69 GLU H A 70 PHE H 1.0 1.8 3.97 157 148 A 74 ALA H A 73 ASN H 1.0 1.8 4.05 158 149 A 108 THR H A 77 GLU H 1.0 1.8 4.69 159 150 A 84 ASP H A 85 THR H 1.0 1.8 5.15 160 151 A 86 VAL H A 85 THR H 1.0 1.8 4.09 161 152 A 87 ALA H A 88 THR H 1.0 1.8 4.46 162 153 A 91 TYR H A 92 GLN H 1.0 1.8 5.08 163 154 A 92 GLN H A 93 GLY H 1.0 1.8 5.13 164 155 A 94 ALA H A 95 ASP H 1.0 1.8 4.59 165 156 A 99 TYR H A 100 ILE H 1.0 1.8 5.21 166 157 A 102 ALA H A 60 SER H 1.0 1.8 5.18 167 158 A 102 ALA H A 101 LYS H 1.0 1.8 5.74 168 159 A 102 ALA H A 103 ASP H 1.0 1.8 5.15 169 160 A 103 ASP H A 104 ASP H 1.0 1.8 3.83 170 161 A 107 LEU H A 106 VAL H 1.0 1.8 5.04 171 162 A 108 THR H A 109 LEU H 1.0 1.8 5.22 172 163 A 109 LEU H A 110 GLU H 1.0 1.8 4.37 173 164 A 3 ARG HA A 4 LEU H 1.0 1.8 3.76 174 165 A 9 VAL H A 8 ILE HA 1.0 1.8 3.25 175 166 A 10 LEU H A 9 VAL HA 1.0 1.8 3.77 176 167 A 18 GLU HA A 19 LEU H 1.0 1.8 3.69 177 168 A 20 LYS H A 19 LEU HA 1.0 1.8 3.79 178 169 A 21 PHE HA A 22 SER H 1.0 1.8 3.87 179 170 A 24 LEU H A 23 ALA HA 1.0 1.8 3.59 180 171 A 27 GLU H A 26 ARG HA 1.0 1.8 3.31 181 172 A 28 VAL H A 27 GLU HA 1.0 1.8 3.70 182 173 A 29 ARG H A 28 VAL HA 1.0 1.8 3.29 183 174 A 30 ILE H A 29 ARG HA 1.0 1.8 3.71 184 175 A 31 GLN H A 30 ILE HA 1.0 1.8 3.06 185 176 A 32 ASN H A 31 GLN HA 1.0 1.8 3.15 186 177 A 32 ASN HA A 33 GLU H 1.0 1.8 3.50 187 178 A 37 VAL H A 36 SER HA 1.0 1.8 3.17 188 179 A 38 SER H A 37 VAL HA 1.0 1.8 3.11 189 180 A 41 ILE H A 40 GLU HA 1.0 1.8 3.23 190 181 A 42 LYS H A 41 ILE HA 1.0 1.8 3.90 191 182 A 44 ARG H A 43 GLU HA 1.0 1.8 3.56 192 183 A 47 ASP HA A 48 LEU H 1.0 1.8 3.63 193 184 A 56 MET H A 55 ARG HA 1.0 1.8 3.69 194 185 A 59 VAL H A 58 GLN HA 1.0 1.8 3.82 195 186 A 63 ALA H A 62 PRO HA 1.0 1.8 3.63 196 187 A 67 LEU H A 66 PRO HA 1.0 1.8 3.49 197 188 A 70 PHE H A 69 GLU HA 1.0 1.8 3.48 198 189 A 71 ASP H A 70 PHE HA 1.0 1.8 3.42 199 190 A 72 TYR H A 71 ASP HA 1.0 1.8 3.36 200 191 A 73 ASN H A 72 TYR HA 1.0 1.8 3.83 201 192 A 74 ALA H A 73 ASN HA 1.0 1.8 3.88 202 193 A 75 ARG H A 74 ALA HA 1.0 1.8 3.42 203 194 A 76 VAL H A 75 ARG HA 1.0 1.8 3.78 204 195 A 77 GLU H A 76 VAL HA 1.0 1.8 3.86 205 196 A 78 LEU H A 77 GLU HA 1.0 1.8 3.63 206 197 A 79 ILE H A 78 LEU HA 1.0 1.8 3.77 207 198 A 82 ILE H A 81 PRO HA 1.0 1.8 3.74 208 199 A 83 ALA H A 82 ILE HA 1.0 1.8 3.60 209 200 A 84 ASP H A 83 ALA HA 1.0 1.8 3.73 210 201 A 85 THR H A 84 ASP HA 1.0 1.8 3.86 211 202 A 87 ALA H A 86 VAL HA 1.0 1.8 3.90 212 203 A 89 ALA H A 88 THR HA 1.0 1.8 3.87 213 204 A 92 GLN H A 91 TYR HA 1.0 1.8 3.65 214 205 A 93 GLY H A 92 GLN HA 1.0 1.8 3.90 215 206 A 95 ASP H A 94 ALA HA 1.0 1.8 3.49 216 207 A 97 ASP H A 96 VAL HA 1.0 1.8 3.84 217 208 A 102 ALA H A 101 LYS HA 1.0 1.8 3.60 218 209 A 105 ILE H A 104 ASP HA 1.0 1.8 3.87 219 210 A 106 VAL H A 105 ILE HA 1.0 1.8 3.63 220 211 A 107 LEU H A 106 VAL HA 1.0 1.8 3.63 221 212 A 108 THR H A 107 LEU HA 1.0 1.8 3.63 222 213 A 109 LEU H A 108 THR HA 1.0 1.8 3.48 223 214 A 110 GLU H A 109 LEU HA 1.0 1.8 3.40 224 215 A 4 LEU H A 4 LEU HG 1.0 1.8 5.04 225 216 A 10 LEU H A 10 LEU HG 1.0 1.8 4.15 226 217 A 19 LEU H A 19 LEU HG 1.0 1.8 4.48 227 218 A 24 LEU H A 24 LEU HG 1.0 1.8 5.12 228 219 A 48 LEU H A 48 LEU HG 1.0 1.8 4.69 229 220 A 78 LEU H A 78 LEU HG 1.0 1.8 4.09 230 221 A 107 LEU H A 107 LEU HG 1.0 1.8 3.92 231 222 A 12 LYS H A 12 LYS HGy 1.0 1.8 5.33 232 223 A 14 THR H A 14 THR HG2% 1.0 1.8 4.23 233 224 A 15 THR H A 15 THR HG2% 1.0 1.8 4.68 234 225 A 25 ARG H A 25 ARG HGy 1.0 1.8 5.48 235 226 A 27 GLU H A 27 GLU HGy 1.0 1.8 4.36 236 227 A 29 ARG H A 29 ARG HGy 1.0 1.8 3.98 237 228 A 30 ILE H A 30 ILE HG2% 1.0 1.8 4.31 238 229 A 37 VAL H A 37 VAL HG2% 1.0 1.8 3.37 239 230 A 41 ILE H A 30 ILE HD1% 1.0 1.8 3.98 240 231 A 43 GLU H A 43 GLU HGy 1.0 1.8 3.93 241 232 A 44 ARG H A 44 ARG HGy 1.0 1.8 5.38 242 233 A 45 THR H A 45 THR HG2% 1.0 1.8 4.58 243 234 A 53 GLN H A 53 GLN HGy 1.0 1.8 5.25 244 235 A 55 ARG H A 55 ARG HGy 1.0 1.8 4.44 245 236 A 56 MET H A 56 MET HGy 1.0 1.8 5.02 246 237 A 57 ILE H A 57 ILE HG2% 1.0 1.8 4.68 247 238 A 59 VAL H A 59 VAL HG2% 1.0 1.8 3.97 248 239 A 61 ILE H A 61 ILE HG2% 1.0 1.8 4.39 249 240 A 61 ILE H A 61 ILE HD1% 1.0 1.8 5.07 250 241 A 65 VAL H A 65 VAL HG2% 1.0 1.8 3.53 251 242 A 68 LYS H A 68 LYS HGy 1.0 1.8 5.16 252 243 A 75 ARG H A 75 ARG HGy 1.0 1.8 4.51 253 244 A 76 VAL H A 76 VAL HG2% 1.0 1.8 3.85 254 245 A 77 GLU H A 77 GLU HGy 1.0 1.8 4.50 255 246 A 79 ILE H A 79 ILE HG2% 1.0 1.8 4.21 256 247 A 82 ILE H A 82 ILE HG2% 1.0 1.8 4.09 257 248 A 85 THR H A 85 THR HG2% 1.0 1.8 4.25 258 249 A 88 THR H A 88 THR HG2% 1.0 1.8 4.10 259 250 A 90 THR H A 90 THR HG2% 1.0 1.8 4.44 260 251 A 96 VAL H A 96 VAL HG2% 1.0 1.8 4.47 261 252 A 100 ILE H A 100 ILE HG2% 1.0 1.8 4.50 262 253 A 101 LYS H A 101 LYS HGy 1.0 1.8 4.77 263 254 A 105 ILE H A 105 ILE HG2% 1.0 1.8 4.37 264 255 A 106 VAL H A 106 VAL HG2% 1.0 1.8 3.61 265 256 A 108 THR H A 108 THR HG2% 1.0 1.8 4.23 266 257 A 110 GLU H A 110 GLU HGy 1.0 1.8 4.65 267 258 A 12 LYS H A 12 LYS HGx 1.0 1.8 5.33 268 259 A 20 LYS H A 20 LYS HGx 1.0 1.8 5.15 269 260 A 25 ARG H A 25 ARG HGx 1.0 1.8 5.48 270 261 A 26 ARG H A 26 ARG HGy 1.0 1.8 5.03 271 262 A 27 GLU H A 27 GLU HGx 1.0 1.8 3.98 272 263 A 29 ARG H A 29 ARG HGx 1.0 1.8 3.98 273 264 A 31 GLN H A 31 GLN HGx 1.0 1.8 4.98 274 265 A 33 GLU H A 33 GLU HGy 1.0 1.8 5.63 275 266 A 33 GLU H A 33 GLU HGx 1.0 1.8 5.63 276 267 A 43 GLU H A 43 GLU HGx 1.0 1.8 3.93 277 268 A 44 ARG H A 44 ARG HGx 1.0 1.8 5.38 278 269 A 53 GLN H A 53 GLN HGx 1.0 1.8 5.25 279 270 A 55 ARG H A 55 ARG HGx 1.0 1.8 4.44 280 271 A 56 MET H A 56 MET HGx 1.0 1.8 5.02 281 272 A 68 LYS H A 68 LYS HGx 1.0 1.8 5.16 282 273 A 69 GLU H A 69 GLU HGx 1.0 1.8 3.84 283 273 A 69 GLU H A 69 GLU HGy 1.0 1.8 3.84 284 274 A 77 GLU H A 77 GLU HGx 1.0 1.8 4.50 285 275 A 101 LYS H A 101 LYS HGx 1.0 1.8 4.73 286 276 A 110 GLU H A 110 GLU HGx 1.0 1.8 4.65 287 277 A 5 ALA H A 4 LEU HD1% 1.0 1.8 4.30 288 278 A 8 ILE H A 8 ILE HG2% 1.0 1.8 4.17 289 279 A 10 LEU H A 10 LEU HD2% 1.0 1.8 4.63 290 280 A 16 PHE H A 16 PHE HD% 1.0 1.8 4.97 291 281 A 19 LEU H A 19 LEU HD1% 1.0 1.8 4.43 292 282 A 24 LEU H A 24 LEU HD1% 1.0 1.8 4.79 293 283 A 30 ILE H A 30 ILE HD1% 1.0 1.8 4.32 294 284 A 41 ILE H A 41 ILE HD1% 1.0 1.8 4.80 295 285 A 48 LEU H A 48 LEU HD1% 1.0 1.8 4.74 296 286 A 67 LEU H A 67 LEU HD1% 1.0 1.8 4.77 297 287 A 78 LEU H A 78 LEU HD1% 1.0 1.8 4.61 298 288 A 79 ILE H A 78 LEU HD2% 1.0 1.8 4.35 299 289 A 79 ILE H A 79 ILE HD1% 1.0 1.8 4.69 300 290 A 82 ILE H A 100 ILE HG2% 1.0 1.8 3.97 301 291 A 105 ILE H A 78 LEU HD2% 1.0 1.8 5.05 302 292 A 105 ILE H A 105 ILE HD1% 1.0 1.8 5.30 303 293 A 107 LEU H A 107 LEU HD1% 1.0 1.8 4.28 304 294 A 109 LEU H A 109 LEU HD1% 1.0 1.8 4.44 305 295 A 4 LEU H A 4 LEU HD2% 1.0 1.8 4.15 306 296 A 19 LEU H A 19 LEU HD2% 1.0 1.8 4.41 307 297 A 21 PHE H A 21 PHE HD% 1.0 1.8 5.03 308 298 A 24 LEU H A 24 LEU HD2% 1.0 1.8 4.70 309 299 A 42 LYS H A 42 LYS HDy 1.0 1.8 5.14 310 300 A 48 LEU H A 48 LEU HD2% 1.0 1.8 4.91 311 301 A 49 LYS H A 49 LYS HBx 1.0 1.8 4.62 312 302 A 67 LEU H A 67 LEU HD2% 1.0 1.8 4.91 313 303 A 70 PHE H A 70 PHE HD% 1.0 1.8 4.03 314 304 A 75 ARG H A 75 ARG HDy 1.0 1.8 5.69 315 305 A 78 LEU H A 106 VAL HG2% 1.0 1.8 5.56 316 306 A 109 LEU H A 109 LEU HD2% 1.0 1.8 4.44 317 307 A 29 ARG H A 29 ARG HDx 1.0 1.8 5.06 318 307 A 29 ARG H A 29 ARG HDy 1.0 1.8 5.06 319 308 A 42 LYS H A 42 LYS HDx 1.0 1.8 5.14 320 309 A 75 ARG H A 75 ARG HDx 1.0 1.8 5.69 321 310 A 101 LYS H A 101 LYS HDx 1.0 1.8 4.82 322 310 A 101 LYS H A 101 LYS HDy 1.0 1.8 4.82 323 311 A 8 ILE H A 8 ILE HG1y 1.0 1.8 4.48 324 312 A 30 ILE H A 30 ILE HG1y 1.0 1.8 4.16 325 313 A 57 ILE H A 57 ILE HG1y 1.0 1.8 4.87 326 314 A 61 ILE H A 61 ILE HG1y 1.0 1.8 4.57 327 315 A 79 ILE H A 79 ILE HG1y 1.0 1.8 4.73 328 316 A 82 ILE H A 82 ILE HG1y 1.0 1.8 4.55 329 317 A 100 ILE H A 100 ILE HG1y 1.0 1.8 4.96 330 318 A 105 ILE H A 105 ILE HG1y 1.0 1.8 4.70 331 319 A 8 ILE H A 8 ILE HG1x 1.0 1.8 4.48 332 320 A 30 ILE H A 30 ILE HG1x 1.0 1.8 4.16 333 321 A 57 ILE H A 57 ILE HG1x 1.0 1.8 4.87 334 322 A 61 ILE H A 61 ILE HG1x 1.0 1.8 4.57 335 323 A 79 ILE H A 79 ILE HG1x 1.0 1.8 4.73 336 324 A 82 ILE H A 82 ILE HG1x 1.0 1.8 4.55 337 325 A 100 ILE H A 100 ILE HG1x 1.0 1.8 4.96 338 326 A 105 ILE H A 105 ILE HG1x 1.0 1.8 4.70 339 327 A 70 PHE H A 21 PHE HD% 1.0 1.8 4.80 340 328 A 32 ASN HD21 A 32 ASN H 1.0 1.8 4.94 341 329 A 32 ASN HD22 A 32 ASN H 1.0 1.8 4.94 342 330 A 65 VAL H A 65 VAL HG1% 1.0 1.8 4.25 343 331 A 96 VAL H A 96 VAL HG1% 1.0 1.8 4.47 344 332 A 106 VAL H A 106 VAL HG1% 1.0 1.8 3.73 345 333 A 32 ASN HD22 A 32 ASN HBy 1.0 1.8 3.94 346 334 A 92 GLN HE22 A 92 GLN HGx 1.0 1.8 4.43 347 334 A 92 GLN HGy A 92 GLN HE22 1.0 1.8 4.43 348 335 A 7 GLY H A 6 ASN HBx 1.0 1.8 4.98 349 336 A 8 ILE HG2% A 7 GLY H 1.0 1.8 6.05 350 337 A 8 ILE H A 7 GLY H 1.0 1.8 4.37 351 338 A 35 GLY H A 33 GLU HA 1.0 1.8 4.46 352 339 A 35 GLY H A 34 ASP HBy 1.0 1.8 5.22 353 340 A 32 ASN HBy A 35 GLY H 1.0 1.8 4.88 354 341 A 35 GLY H A 32 ASN HBx 1.0 1.8 5.46 355 342 A 35 GLY H A 34 ASP HBx 1.0 1.8 5.22 356 343 A 35 GLY H A 31 GLN HGy 1.0 1.8 5.01 357 344 A 35 GLY H A 33 GLU HBx 1.0 1.8 5.47 358 344 A 33 GLU HBy A 35 GLY H 1.0 1.8 5.47 359 345 A 32 ASN H A 35 GLY H 1.0 1.8 5.09 360 346 A 93 GLY H A 92 GLN HGx 1.0 1.8 5.12 361 346 A 92 GLN HGy A 93 GLY H 1.0 1.8 5.12 362 347 A 93 GLY H A 92 GLN HBy 1.0 1.8 5.05 363 348 A 93 GLY H A 92 GLN HBx 1.0 1.8 5.05 364 349 A 64 SER H A 62 PRO HA 1.0 1.8 4.72 365 350 A 64 SER H A 62 PRO HBx 1.0 1.8 4.68 366 351 A 64 SER H A 62 PRO HBy 1.0 1.8 3.85 367 352 A 63 ALA HB% A 64 SER H 1.0 1.8 3.97 368 353 A 64 SER H A 65 VAL HG2% 1.0 1.8 4.92 369 354 A 104 ASP H A 103 ASP HBy 1.0 1.8 4.57 370 355 A 79 ILE HB A 104 ASP H 1.0 1.8 4.04 371 356 A 102 ALA HB% A 104 ASP H 1.0 1.8 3.72 372 357 A 104 ASP H A 61 ILE HG2% 1.0 1.8 5.30 373 358 A 104 ASP H A 79 ILE HG2% 1.0 1.8 5.67 374 359 A 104 ASP H A 106 VAL HG1% 1.0 1.8 6.05 375 360 A 104 ASP H A 78 LEU HD2% 1.0 1.8 4.99 376 361 A 104 ASP H A 79 ILE HD1% 1.0 1.8 5.59 377 362 A 79 ILE H A 104 ASP H 1.0 1.8 4.31 378 363 A 89 ALA HB% A 90 THR H 1.0 1.8 3.89 379 364 A 31 GLN HE21 A 37 VAL HG2% 1.0 1.8 4.72 380 365 A 31 GLN HE21 A 37 VAL HA 1.0 1.8 4.89 381 366 A 45 THR HB A 26 ARG H 1.0 1.8 4.79 382 367 A 26 ARG H A 24 LEU HA 1.0 1.8 5.18 383 368 A 26 ARG H A 24 LEU HG 1.0 1.8 4.68 384 369 A 26 ARG H A 45 THR HG2% 1.0 1.8 5.07 385 370 A 26 ARG H A 24 LEU HD2% 1.0 1.8 5.06 386 371 A 26 ARG H A 24 LEU HD1% 1.0 1.8 4.54 387 372 A 45 THR H A 26 ARG H 1.0 1.8 4.48 388 373 A 79 ILE HG2% A 80 ASN HD21 1.0 1.8 4.39 389 374 A 79 ILE HG2% A 80 ASN HD22 1.0 1.8 4.39 390 375 A 23 ALA H A 21 PHE HA 1.0 1.8 4.94 391 376 A 23 ALA H A 22 SER HBy 1.0 1.8 4.38 392 377 A 23 ALA H A 22 SER HBx 1.0 1.8 4.38 393 378 A 23 ALA H A 47 ASP HBy 1.0 1.8 4.72 394 379 A 23 ALA H A 47 ASP HBx 1.0 1.8 4.31 395 380 A 23 ALA H A 48 LEU HD2% 1.0 1.8 5.08 396 381 A 23 ALA H A 47 ASP H 1.0 1.8 4.44 397 382 A 85 THR H A 84 ASP HBy 1.0 1.8 5.17 398 383 A 85 THR H A 84 ASP HBx 1.0 1.8 5.17 399 384 A 85 THR H A 86 VAL HGx% 1.0 1.8 6.05 400 385 A 85 THR H A 86 VAL HGy% 1.0 1.8 6.05 401 386 A 43 GLU H A 41 ILE HA 1.0 1.8 4.85 402 387 A 43 GLU H A 42 LYS HBy 1.0 1.8 4.04 403 388 A 43 GLU H A 42 LYS HBx 1.0 1.8 4.04 404 389 A 43 GLU H A 42 LYS HGy 1.0 1.8 5.08 405 390 A 43 GLU H A 42 LYS HGx 1.0 1.8 5.08 406 391 A 63 ALA HB% A 43 GLU H 1.0 1.8 5.40 407 392 A 43 GLU H A 28 VAL HG2% 1.0 1.8 4.47 408 393 A 43 GLU H A 41 ILE HG2% 1.0 1.8 3.74 409 394 A 34 ASP H A 32 ASN HBx 1.0 1.8 3.87 410 395 A 34 ASP H A 33 GLU HBx 1.0 1.8 3.78 411 395 A 33 GLU HBy A 34 ASP H 1.0 1.8 3.78 412 396 A 34 ASP H A 36 SER H 1.0 1.8 5.03 413 397 A 106 VAL H A 76 VAL HB 1.0 1.8 5.02 414 398 A 105 ILE HB A 106 VAL H 1.0 1.8 4.97 415 399 A 77 GLU H A 107 LEU HA 1.0 1.8 4.98 416 400 A 77 GLU H A 105 ILE HG2% 1.0 1.8 4.49 417 401 A 77 GLU H A 106 VAL HG2% 1.0 1.8 4.29 418 402 A 77 GLU H A 76 VAL HG1% 1.0 1.8 4.31 419 403 A 77 GLU H A 76 VAL HG2% 1.0 1.8 4.37 420 404 A 77 GLU H A 106 VAL H 1.0 1.8 4.35 421 405 A 5 ALA HB% A 6 ASN H 1.0 1.8 4.40 422 406 A 15 THR H A 14 THR HG2% 1.0 1.8 4.87 423 407 A 15 THR HB A 16 PHE H 1.0 1.8 4.57 424 408 A 16 PHE H A 15 THR HG2% 1.0 1.8 5.01 425 409 A 37 VAL H A 36 SER H 1.0 1.8 5.04 426 410 A 50 SER H A 56 MET HA 1.0 1.8 4.83 427 411 A 32 ASN HBy A 36 SER H 1.0 1.8 4.31 428 412 A 79 ILE HB A 103 ASP H 1.0 1.8 4.82 429 413 A 102 ALA HB% A 103 ASP H 1.0 1.8 3.77 430 414 A 103 ASP H A 61 ILE HG2% 1.0 1.8 6.02 431 415 A 103 ASP H A 79 ILE HG2% 1.0 1.8 6.05 432 416 A 70 PHE H A 21 PHE HE% 1.0 1.8 4.79 433 417 A 70 PHE H A 71 ASP H 1.0 1.8 5.10 434 418 A 70 PHE H A 68 LYS HA 1.0 1.8 4.77 435 419 A 70 PHE H A 69 GLU HGx 1.0 1.8 5.16 436 419 A 70 PHE H A 69 GLU HGy 1.0 1.8 5.16 437 420 A 68 LYS HBx A 70 PHE H 1.0 1.8 4.68 438 421 A 70 PHE H A 69 GLU HBy 1.0 1.8 4.96 439 422 A 70 PHE H A 68 LYS HBy 1.0 1.8 4.85 440 423 A 69 GLU HBx A 70 PHE H 1.0 1.8 5.03 441 424 A 78 LEU H A 77 GLU HGx 1.0 1.8 5.50 442 425 A 78 LEU H A 77 GLU HBy 1.0 1.8 4.26 443 426 A 78 LEU H A 77 GLU HBx 1.0 1.8 4.26 444 427 A 78 LEU H A 19 LEU HD1% 1.0 1.8 4.54 445 428 A 44 ARG H A 61 ILE H 1.0 1.8 4.44 446 429 A 45 THR H A 24 LEU HD1% 1.0 1.8 4.49 447 430 A 96 VAL H A 97 ASP H 1.0 1.8 5.18 448 431 A 44 ARG H A 43 GLU HBy 1.0 1.8 4.20 449 432 A 44 ARG H A 43 GLU HBx 1.0 1.8 4.20 450 433 A 44 ARG H A 28 VAL HG2% 1.0 1.8 5.80 451 434 A 44 ARG H A 61 ILE HD1% 1.0 1.8 6.05 452 435 A 45 THR H A 24 LEU HD2% 1.0 1.8 6.05 453 436 A 45 THR H A 28 VAL HG1% 1.0 1.8 6.05 454 437 A 45 THR H A 27 GLU HA 1.0 1.8 4.40 455 438 A 108 THR H A 76 VAL HB 1.0 1.8 5.48 456 439 A 108 THR H A 107 LEU HD1% 1.0 1.8 5.26 457 440 A 108 THR H A 76 VAL HG1% 1.0 1.8 4.40 458 441 A 108 THR H A 107 LEU HD2% 1.0 1.8 4.31 459 442 A 108 THR H A 76 VAL HA 1.0 1.8 4.00 460 443 A 94 ALA HB% A 95 ASP H 1.0 1.8 3.98 461 444 A 96 VAL H A 95 ASP H 1.0 1.8 4.68 462 445 A 20 LYS H A 19 LEU HD2% 1.0 1.8 4.46 463 446 A 49 LYS H A 20 LYS H 1.0 1.8 4.53 464 447 A 37 VAL H A 36 SER HBy 1.0 1.8 4.06 465 448 A 37 VAL H A 36 SER HBx 1.0 1.8 4.06 466 449 A 21 PHE HBy A 22 SER H 1.0 1.8 5.14 467 450 A 22 SER H A 48 LEU HD2% 1.0 1.8 4.15 468 451 A 49 LYS H A 22 SER H 1.0 1.8 6.05 469 452 A 38 SER HBy A 39 ASP H 1.0 1.8 4.10 470 453 A 14 THR H A 13 ASP H 1.0 1.8 4.30 471 454 A 13 ASP H A 12 LYS HBx 1.0 1.8 4.08 472 454 A 12 LYS HBy A 13 ASP H 1.0 1.8 4.08 473 455 A 13 ASP H A 12 LYS HGx 1.0 1.8 5.13 474 456 A 71 ASP H A 70 PHE HBy 1.0 1.8 4.14 475 457 A 74 ALA HB% A 71 ASP H 1.0 1.8 3.94 476 458 A 71 ASP H A 70 PHE HBx 1.0 1.8 4.14 477 459 A 71 ASP H A 70 PHE HD% 1.0 1.8 4.35 478 460 A 40 GLU H A 30 ILE HD1% 1.0 1.8 4.72 479 461 A 40 GLU H A 39 ASP HBx 1.0 1.8 4.72 480 462 A 38 SER HBy A 40 GLU H 1.0 1.8 4.96 481 463 A 38 SER HBx A 40 GLU H 1.0 1.8 4.42 482 464 A 57 ILE H A 56 MET HBy 1.0 1.8 4.98 483 465 A 57 ILE H A 49 LYS HA 1.0 1.8 5.21 484 466 A 57 ILE H A 48 LEU H 1.0 1.8 5.18 485 467 A 8 ILE H A 9 VAL H 1.0 1.8 5.09 486 468 A 23 ALA HB% A 24 LEU H 1.0 1.8 3.65 487 469 A 24 LEU H A 46 TYR HD% 1.0 1.8 5.20 488 470 A 110 GLU H A 109 LEU HBx 1.0 1.8 5.01 489 471 A 110 GLU H A 108 THR HG2% 1.0 1.8 4.93 490 472 A 110 GLU H A 109 LEU HD2% 1.0 1.8 5.02 491 473 A 90 THR HB A 91 TYR H 1.0 1.8 4.66 492 474 A 89 ALA HB% A 91 TYR H 1.0 1.8 4.84 493 475 A 91 TYR H A 90 THR HG2% 1.0 1.8 4.61 494 476 A 56 MET H A 55 ARG HBx 1.0 1.8 4.63 495 477 A 107 LEU H A 106 VAL HB 1.0 1.8 3.81 496 478 A 107 LEU H A 70 PHE HZ 1.0 1.8 4.86 497 479 A 105 ILE H A 106 VAL H 1.0 1.8 5.08 498 480 A 105 ILE H A 104 ASP HBy 1.0 1.8 4.74 499 481 A 105 ILE H A 104 ASP HBx 1.0 1.8 4.74 500 482 A 105 ILE H A 65 VAL HG1% 1.0 1.8 4.60 501 483 A 105 ILE H A 61 ILE HG2% 1.0 1.8 4.41 502 484 A 102 ALA H A 61 ILE HA 1.0 1.8 4.82 503 485 A 102 ALA H A 101 LYS HBy 1.0 1.8 4.38 504 486 A 102 ALA H A 101 LYS HBx 1.0 1.8 4.38 505 487 A 102 ALA H A 101 LYS HGy 1.0 1.8 4.75 506 488 A 102 ALA H A 61 ILE HG2% 1.0 1.8 4.41 507 489 A 11 ASP H A 10 LEU HD2% 1.0 1.8 4.36 508 490 A 102 ALA H A 59 VAL HG1% 1.0 1.8 4.59 509 491 A 11 ASP H A 10 LEU HBx 1.0 1.8 4.41 510 491 A 10 LEU HBy A 11 ASP H 1.0 1.8 4.41 511 492 A 38 SER H A 37 VAL HG1% 1.0 1.8 3.63 512 493 A 18 GLU H A 17 GLY HAx 1.0 1.8 3.84 513 494 A 18 GLU H A 17 GLY HAy 1.0 1.8 3.84 514 495 A 92 GLN H A 91 TYR HBy 1.0 1.8 4.82 515 496 A 92 GLN H A 91 TYR HBx 1.0 1.8 4.82 516 497 A 92 GLN H A 91 TYR HD% 1.0 1.8 4.88 517 498 A 18 GLU H A 19 LEU H 1.0 1.8 5.27 518 499 A 73 ASN H A 21 PHE HD% 1.0 1.8 5.84 519 500 A 72 TYR H A 71 ASP HBy 1.0 1.8 4.37 520 501 A 47 ASP H A 46 TYR HBy 1.0 1.8 4.77 521 502 A 47 ASP H A 46 TYR HD% 1.0 1.8 4.99 522 503 A 47 ASP H A 25 ARG H 1.0 1.8 4.85 523 504 A 49 LYS H A 48 LEU HD2% 1.0 1.8 4.69 524 505 A 49 LYS H A 19 LEU HD2% 1.0 1.8 5.36 525 506 A 49 LYS H A 48 LEU HD1% 1.0 1.8 5.97 526 507 A 86 VAL H A 85 THR HG2% 1.0 1.8 4.83 527 508 A 86 VAL H A 86 VAL HGx% 1.0 1.8 4.59 528 509 A 86 VAL H A 85 THR HB 1.0 1.8 5.04 529 510 A 58 GLN H A 57 ILE HG2% 1.0 1.8 4.09 530 511 A 74 ALA H A 21 PHE HBx 1.0 1.8 4.29 531 512 A 74 ALA H A 72 TYR HA 1.0 1.8 4.70 532 513 A 74 ALA H A 21 PHE HD% 1.0 1.8 4.85 533 514 A 74 ALA H A 75 ARG H 1.0 1.8 4.98 534 515 A 74 ALA H A 21 PHE H 1.0 1.8 4.77 535 516 A 59 VAL H A 45 THR HG2% 1.0 1.8 4.69 536 517 A 33 GLU H A 32 ASN HBx 1.0 1.8 3.95 537 518 A 32 ASN H A 38 SER H 1.0 1.8 4.52 538 519 A 32 ASN H A 37 VAL HA 1.0 1.8 4.11 539 520 A 32 ASN H A 31 GLN HGy 1.0 1.8 4.61 540 521 A 32 ASN H A 31 GLN HGx 1.0 1.8 4.63 541 522 A 31 GLN HBx A 32 ASN H 1.0 1.8 4.41 542 523 A 31 GLN HBy A 32 ASN H 1.0 1.8 4.96 543 524 A 32 ASN H A 37 VAL HG1% 1.0 1.8 5.92 544 525 A 32 ASN H A 37 VAL HG2% 1.0 1.8 6.05 545 526 A 32 ASN H A 30 ILE HG2% 1.0 1.8 5.06 546 527 A 74 ALA HB% A 75 ARG H 1.0 1.8 3.87 547 528 A 100 ILE H A 99 TYR HBy 1.0 1.8 5.33 548 529 A 100 ILE H A 99 TYR HBx 1.0 1.8 5.33 549 530 A 41 ILE H A 40 GLU HGy 1.0 1.8 5.18 550 531 A 41 ILE H A 40 GLU HBx 1.0 1.8 3.92 551 531 A 41 ILE H A 40 GLU HBy 1.0 1.8 3.92 552 532 A 41 ILE H A 63 ALA HB% 1.0 1.8 4.92 553 533 A 63 ALA H A 43 GLU HA 1.0 1.8 4.26 554 534 A 63 ALA H A 62 PRO HBx 1.0 1.8 4.50 555 535 A 63 ALA H A 62 PRO HBy 1.0 1.8 4.20 556 536 A 80 ASN H A 81 PRO HDx 1.0 1.8 4.49 557 537 A 80 ASN H A 79 ILE HG2% 1.0 1.8 4.11 558 538 A 80 ASN H A 81 PRO HDy 1.0 1.8 4.49 559 539 A 68 LYS HBx A 69 GLU H 1.0 1.8 4.33 560 540 A 69 GLU H A 68 LYS HDx 1.0 1.8 5.48 561 540 A 69 GLU H A 68 LYS HDy 1.0 1.8 5.48 562 541 A 69 GLU H A 68 LYS HBy 1.0 1.8 4.83 563 542 A 96 VAL HB A 97 ASP H 1.0 1.8 4.54 564 543 A 97 ASP H A 96 VAL HG2% 1.0 1.8 4.61 565 544 A 97 ASP H A 96 VAL HG1% 1.0 1.8 4.61 566 545 A 68 LYS H A 67 LEU HBx 1.0 1.8 5.22 567 546 A 68 LYS H A 68 LYS HDx 1.0 1.8 4.92 568 546 A 68 LYS H A 68 LYS HDy 1.0 1.8 4.92 569 547 A 68 LYS H A 67 LEU HD1% 1.0 1.8 4.09 570 548 A 68 LYS H A 46 TYR HE% 1.0 1.8 4.88 571 549 A 68 LYS H A 46 TYR HH 1.0 1.8 4.69 572 550 A 67 LEU H A 66 PRO HBx 1.0 1.8 4.30 573 551 A 67 LEU H A 66 PRO HBy 1.0 1.8 4.30 574 552 A 74 ALA HB% A 21 PHE H 1.0 1.8 4.74 575 553 A 21 PHE H A 76 VAL HG2% 1.0 1.8 4.66 576 554 A 21 PHE H A 76 VAL HG1% 1.0 1.8 4.64 577 555 A 89 ALA H A 88 THR HG2% 1.0 1.8 4.92 578 556 A 60 SER H A 101 LYS HA 1.0 1.8 4.31 579 557 A 60 SER H A 59 VAL HG1% 1.0 1.8 4.02 580 558 A 108 THR HB A 109 LEU H 1.0 1.8 4.25 581 559 A 28 VAL H A 27 GLU HBy 1.0 1.8 4.84 582 560 A 28 VAL H A 28 VAL HG1% 1.0 1.8 3.61 583 561 A 28 VAL H A 28 VAL HG2% 1.0 1.8 4.23 584 562 A 44 ARG HA A 28 VAL H 1.0 1.8 4.68 585 563 A 28 VAL H A 43 GLU H 1.0 1.8 4.62 586 564 A 42 LYS H A 41 ILE HG2% 1.0 1.8 4.05 587 565 A 8 ILE HB A 9 VAL H 1.0 1.8 4.58 588 566 A 45 THR HG2% A 46 TYR H 1.0 1.8 4.39 589 567 A 48 LEU HD1% A 46 TYR H 1.0 1.8 6.05 590 568 A 59 VAL HG1% A 46 TYR H 1.0 1.8 6.05 591 569 A 59 VAL HG2% A 46 TYR H 1.0 1.8 6.05 592 570 A 59 VAL H A 46 TYR H 1.0 1.8 4.68 593 571 A 65 VAL H A 63 ALA HA 1.0 1.8 4.38 594 572 A 65 VAL H A 61 ILE HD1% 1.0 1.8 5.12 595 573 A 101 LYS H A 100 ILE HG2% 1.0 1.8 4.09 596 574 A 30 ILE HB A 31 GLN H 1.0 1.8 4.61 597 575 A 31 GLN H A 30 ILE HG1y 1.0 1.8 5.83 598 576 A 31 GLN H A 30 ILE HG1x 1.0 1.8 5.83 599 577 A 31 GLN H A 30 ILE HG2% 1.0 1.8 3.47 600 578 A 86 VAL HB A 87 ALA H 1.0 1.8 4.50 601 579 A 87 ALA H A 86 VAL HGx% 1.0 1.8 4.91 602 580 A 19 LEU H A 18 GLU HGy 1.0 1.8 5.65 603 581 A 82 ILE HB A 83 ALA H 1.0 1.8 4.36 604 582 A 83 ALA H A 82 ILE HG2% 1.0 1.8 4.18 605 583 A 29 ARG H A 28 VAL HG1% 1.0 1.8 4.46 606 584 A 57 ILE HG2% A 98 TRP HE1 1.0 1.8 4.94 607 585 A 98 TRP HE1 A 100 ILE HD1% 1.0 1.8 4.89 608 586 A 25 ARG H A 24 LEU HG 1.0 1.8 4.88 609 587 A 25 ARG H A 24 LEU HD1% 1.0 1.8 4.55 610 588 A 89 ALA H A 90 THR H 1.0 1.8 3.93 611 589 A 89 ALA H A 88 THR H 1.0 1.8 4.09 612 590 A 88 THR H A 86 VAL HGx% 1.0 1.8 6.05 613 591 A 88 THR H A 86 VAL HGy% 1.0 1.8 6.05 614 592 A 87 ALA HB% A 88 THR H 1.0 1.8 4.19 615 593 A 34 ASP H A 35 GLY H 1.0 1.8 3.70 616 594 A 107 LEU H A 106 VAL HG2% 1.0 1.8 4.18 617 595 A 11 ASP H A 10 LEU HD1% 1.0 1.8 4.36 618 596 A 61 ILE H A 45 THR HA 1.0 1.8 5.13 619 597 A 61 ILE H A 60 SER HBx 1.0 1.8 5.47 620 598 A 79 ILE H A 106 VAL HG1% 1.0 1.8 5.29 621 599 A 82 ILE H A 101 LYS H 1.0 1.8 4.75 622 600 A 82 ILE H A 102 ALA HA 1.0 1.8 4.65 623 601 A 82 ILE H A 102 ALA HB% 1.0 1.8 4.46 624 602 A 27 GLU H A 26 ARG HBx 1.0 1.8 4.64 625 603 A 27 GLU H A 26 ARG HGx 1.0 1.8 4.44 626 604 A 27 GLU H A 24 LEU HD2% 1.0 1.8 4.58 627 605 A 74 ALA HB% A 73 ASN H 1.0 1.8 5.06 628 606 A 49 LYS H A 48 LEU H 1.0 1.8 5.51 629 607 A 48 LEU H A 47 ASP HBx 1.0 1.8 4.75 630 608 A 48 LEU H A 47 ASP HBy 1.0 1.8 5.16 631 609 A 72 TYR H A 71 ASP HBx 1.0 1.8 4.37 632 610 A 83 ALA HB% A 84 ASP H 1.0 1.8 4.04 633 611 A 84 ASP H A 100 ILE HG2% 1.0 1.8 4.69 634 612 A 30 ILE H A 42 LYS H 1.0 1.8 4.88 635 613 A 30 ILE H A 41 ILE HA 1.0 1.8 4.32 636 614 A 30 ILE H A 40 GLU HBx 1.0 1.8 4.51 637 614 A 30 ILE H A 40 GLU HBy 1.0 1.8 4.51 638 615 A 30 ILE H A 29 ARG HBy 1.0 1.8 4.14 639 616 A 30 ILE H A 29 ARG HBx 1.0 1.8 4.14 640 617 A 47 ASP H A 24 LEU HA 1.0 1.8 5.05 641 618 A 3 ARG H A 2 MET HGx 1.0 1.8 4.82 642 618 A 3 ARG H A 2 MET HGy 1.0 1.8 4.82 643 619 A 20 LYS H A 48 LEU HA 1.0 1.8 5.18 644 620 A 23 ALA H A 48 LEU HA 1.0 1.8 5.86 645 621 A 43 GLU H A 29 ARG HA 1.0 1.8 5.41 646 622 A 44 ARG H A 60 SER HA 1.0 1.8 5.33 647 623 A 22 SER H A 48 LEU HA 1.0 1.8 4.41 648 624 A 21 PHE H A 75 ARG HA 1.0 1.8 5.27 649 625 A 42 LYS H A 29 ARG HA 1.0 1.8 4.55 650 626 A 46 TYR H A 60 SER HA 1.0 1.8 5.29 651 627 A 25 ARG H A 46 TYR HA 1.0 1.8 4.74 652 628 A 23 ALA H A 22 SER H 1.0 1.8 3.58 653 629 A 51 LYS H A 52 GLY H 1.0 1.8 5.22 654 630 A 7 GLY H A 6 ASN HBy 1.0 1.8 4.98 655 631 A 36 SER H A 32 ASN H 1.0 1.8 5.18 656 632 A 18 GLU H A 17 GLY H 1.0 1.8 5.04 657 633 A 104 ASP H A 78 LEU HA 1.0 1.8 5.46 658 634 A 37 VAL HG2% A 31 GLN HE22 1.0 1.8 5.35 659 635 A 14 THR H A 13 ASP HBx 1.0 1.8 4.33 660 635 A 14 THR H A 13 ASP HBy 1.0 1.8 4.33 661 636 A 103 ASP H A 81 PRO HA 1.0 1.8 5.22 662 637 A 57 ILE H A 56 MET HBx 1.0 1.8 4.98 663 638 A 76 VAL H A 75 ARG H 1.0 1.8 5.09 664 639 A 28 VAL H A 27 GLU HBx 1.0 1.8 4.79 665 640 A 84 ASP H A 100 ILE HA 1.0 1.8 3.92 666 641 A 101 LYS H A 83 ALA HA 1.0 1.8 4.41 667 642 A 104 ASP H A 102 ALA HA 1.0 1.8 5.28 668 643 A 105 ILE H A 104 ASP H 1.0 1.8 5.27 669 644 A 108 THR H A 107 LEU H 1.0 1.8 5.17 670 645 A 107 LEU H A 70 PHE HE% 1.0 1.8 5.29 671 646 A 106 VAL H A 78 LEU HA 1.0 1.8 3.88 672 647 A 79 ILE H A 105 ILE HA 1.0 1.8 4.57 673 648 A 79 ILE H A 78 LEU H 1.0 1.8 5.35 674 649 A 79 ILE H A 106 VAL H 1.0 1.8 5.38 675 650 A 100 ILE H A 59 VAL HA 1.0 1.8 4.65 676 651 A 68 LYS H A 67 LEU HBy 1.0 1.8 5.22 677 652 A 77 GLU H A 76 VAL HB 1.0 1.8 3.85 678 653 A 57 ILE H A 57 ILE HD1% 1.0 1.8 5.37 679 654 A 82 ILE H A 81 PRO HBx 1.0 1.8 3.95 680 654 A 82 ILE H A 81 PRO HBy 1.0 1.8 3.95 681 655 A 99 TYR H A 98 TRP HBy 1.0 1.8 5.39 682 656 A 99 TYR H A 98 TRP HBx 1.0 1.8 5.39 683 657 A 68 LYS H A 67 LEU HG 1.0 1.8 4.79 684 658 A 100 ILE H A 59 VAL HG1% 1.0 1.8 6.05 685 659 A 100 ILE H A 59 VAL HG2% 1.0 1.8 6.05 686 660 A 32 ASN HBy A 34 ASP H 1.0 1.8 4.87 687 661 A 9 VAL HA A 9 VAL HG2% 1.0 1.8 3.86 688 662 A 15 THR HG2% A 15 THR HA 1.0 1.8 4.09 689 663 A 61 ILE HG2% A 61 ILE HA 1.0 1.8 4.11 690 664 A 92 GLN HA A 92 GLN HGx 1.0 1.8 3.81 691 664 A 92 GLN HGy A 92 GLN HA 1.0 1.8 3.81 692 665 A 53 GLN HA A 53 GLN HGx 1.0 1.8 4.57 693 666 A 10 LEU HG A 10 LEU HA 1.0 1.8 4.11 694 667 A 19 LEU HA A 19 LEU HD1% 1.0 1.8 4.44 695 668 A 42 LYS HA A 42 LYS HDy 1.0 1.8 4.54 696 669 A 12 LYS HA A 12 LYS HDx 1.0 1.8 5.24 697 669 A 12 LYS HA A 12 LYS HDy 1.0 1.8 5.24 698 670 A 8 ILE HA A 8 ILE HG1y 1.0 1.8 4.29 699 671 A 72 TYR HA A 21 PHE HD% 1.0 1.8 5.24 700 672 A 88 THR H A 88 THR HB 1.0 1.8 4.28 701 673 A 27 GLU HBx A 44 ARG HE 1.0 1.8 5.78 702 674 A 38 SER HBy A 38 SER H 1.0 1.8 3.82 703 675 A 39 ASP H A 39 ASP HBy 1.0 1.8 3.96 704 676 A 109 LEU H A 109 LEU HBy 1.0 1.8 4.35 705 677 A 14 THR HB A 14 THR HA 1.0 1.8 2.92 706 678 A 13 ASP HA A 13 ASP HBx 1.0 1.8 3.31 707 678 A 13 ASP HBy A 13 ASP HA 1.0 1.8 3.31 708 679 A 27 GLU HBy A 27 GLU HGx 1.0 1.8 2.80 709 680 A 8 ILE HB A 8 ILE HD1% 1.0 1.8 3.97 710 681 A 105 ILE HB A 105 ILE HD1% 1.0 1.8 4.04 711 682 A 67 LEU H A 67 LEU HG 1.0 1.8 5.22 712 683 A 42 LYS HA A 42 LYS HGy 1.0 1.8 4.61 713 684 A 65 VAL HA A 66 PRO HGx 1.0 1.8 5.24 714 685 A 3 ARG H A 3 ARG HGy 1.0 1.8 4.39 715 685 A 3 ARG H A 3 ARG HGx 1.0 1.8 4.39 716 686 A 31 GLN H A 31 GLN HGy 1.0 1.8 5.19 717 687 A 40 GLU H A 40 GLU HGy 1.0 1.8 4.62 718 688 A 49 LYS H A 49 LYS HGy 1.0 1.8 5.28 719 689 A 92 GLN H A 92 GLN HGx 1.0 1.8 4.69 720 689 A 92 GLN HGy A 92 GLN H 1.0 1.8 4.69 721 690 A 26 ARG H A 26 ARG HGx 1.0 1.8 5.54 722 691 A 40 GLU H A 40 GLU HGx 1.0 1.8 4.62 723 692 A 49 LYS H A 49 LYS HGx 1.0 1.8 5.28 724 693 A 75 ARG H A 75 ARG HGx 1.0 1.8 4.51 725 694 A 19 LEU HD1% A 19 LEU HBy 1.0 1.8 4.49 726 695 A 30 ILE HG2% A 30 ILE HG1y 1.0 1.8 3.67 727 696 A 41 ILE HG2% A 41 ILE HG1x 1.0 1.8 3.69 728 697 A 82 ILE HG2% A 82 ILE HG1x 1.0 1.8 3.55 729 698 A 100 ILE HG2% A 100 ILE HG1x 1.0 1.8 4.13 730 699 A 52 GLY H A 51 LYS HDx 1.0 1.8 5.09 731 699 A 52 GLY H A 51 LYS HDy 1.0 1.8 5.09 732 700 A 95 ASP H A 95 ASP HBx 1.0 1.8 4.38 733 701 A 42 LYS HDy A 42 LYS HBx 1.0 1.8 4.39 734 702 A 49 LYS HEy A 49 LYS HGy 1.0 1.8 4.50 735 703 A 49 LYS HGx A 49 LYS HEy 1.0 1.8 4.50 736 704 A 20 LYS HEy A 20 LYS HGx 1.0 1.8 4.37 737 704 A 20 LYS HGx A 20 LYS HEx 1.0 1.8 4.37 738 705 A 49 LYS HGx A 49 LYS HEx 1.0 1.8 4.50 739 706 A 67 LEU HD1% A 68 LYS HDx 1.0 1.8 3.98 740 706 A 67 LEU HD1% A 68 LYS HDy 1.0 1.8 3.98 741 707 A 10 LEU HD1% A 10 LEU HBx 1.0 1.8 3.32 742 707 A 10 LEU HBy A 10 LEU HD1% 1.0 1.8 3.32 743 708 A 107 LEU HD1% A 107 LEU HBy 1.0 1.8 3.71 744 709 A 4 LEU HD2% A 4 LEU HBy 1.0 1.8 3.69 745 710 A 67 LEU HD2% A 67 LEU HBy 1.0 1.8 3.63 746 711 A 78 LEU HD2% A 78 LEU HBy 1.0 1.8 4.41 747 712 A 107 LEU HD2% A 107 LEU HBy 1.0 1.8 3.84 748 713 A 19 LEU HD1% A 19 LEU HBx 1.0 1.8 4.49 749 714 A 48 LEU HD1% A 48 LEU HBx 1.0 1.8 4.35 750 715 A 67 LEU HD1% A 67 LEU HBx 1.0 1.8 3.88 751 716 A 10 LEU HBy A 10 LEU HD2% 1.0 1.8 3.32 752 716 A 10 LEU HBx A 10 LEU HD2% 1.0 1.8 3.32 753 717 A 24 LEU HBx A 24 LEU HD2% 1.0 1.8 4.06 754 718 A 67 LEU HD2% A 67 LEU HBx 1.0 1.8 3.63 755 719 A 61 ILE HG2% A 78 LEU HD2% 1.0 1.8 4.08 756 720 A 109 LEU HD2% A 109 LEU HBx 1.0 1.8 3.52 757 721 A 12 LYS HBy A 12 LYS HDx 1.0 1.8 3.60 758 721 A 12 LYS HBx A 12 LYS HDx 1.0 1.8 3.60 759 721 A 12 LYS HDy A 12 LYS HBx 1.0 1.8 3.60 760 721 A 12 LYS HBy A 12 LYS HDy 1.0 1.8 3.60 761 722 A 25 ARG HBy A 25 ARG HDx 1.0 1.8 4.59 762 722 A 25 ARG HDx A 25 ARG HBx 1.0 1.8 4.59 763 723 A 3 ARG HDy A 3 ARG HBy 1.0 1.8 3.77 764 723 A 3 ARG HBy A 3 ARG HDx 1.0 1.8 3.77 765 724 A 75 ARG HDx A 75 ARG HBy 1.0 1.8 4.25 766 725 A 61 ILE HB A 62 PRO HDy 1.0 1.8 4.91 767 726 A 69 GLU HBy A 69 GLU HGx 1.0 1.8 3.26 768 726 A 69 GLU HBy A 69 GLU HGy 1.0 1.8 3.26 769 727 A 3 ARG HDy A 3 ARG HGy 1.0 1.8 3.25 770 727 A 3 ARG HGx A 3 ARG HDx 1.0 1.8 3.25 771 727 A 3 ARG HGx A 3 ARG HDy 1.0 1.8 3.25 772 727 A 3 ARG HDx A 3 ARG HGy 1.0 1.8 3.25 773 728 A 57 ILE HB A 57 ILE HD1% 1.0 1.8 4.42 774 729 A 82 ILE HB A 82 ILE HD1% 1.0 1.8 3.64 775 730 A 100 ILE HD1% A 100 ILE HB 1.0 1.8 4.38 776 731 A 57 ILE HG2% A 57 ILE HD1% 1.0 1.8 3.59 777 732 A 79 ILE HG2% A 79 ILE HD1% 1.0 1.8 3.56 778 733 A 100 ILE HG2% A 100 ILE HD1% 1.0 1.8 3.40 779 734 A 105 ILE HD1% A 59 VAL HG1% 1.0 1.8 3.63 780 735 A 100 ILE HD1% A 100 ILE HA 1.0 1.8 4.40 781 736 A 105 ILE HG2% A 105 ILE HD1% 1.0 1.8 3.45 782 737 A 14 THR HG2% A 14 THR HA 1.0 1.8 3.53 783 738 A 76 VAL HA A 76 VAL HG2% 1.0 1.8 4.43 784 739 A 85 THR HG2% A 85 THR HA 1.0 1.8 4.02 785 740 A 100 ILE HG2% A 100 ILE HA 1.0 1.8 4.09 786 741 A 9 VAL H A 9 VAL HG2% 1.0 1.8 4.66 787 742 A 41 ILE H A 41 ILE HG2% 1.0 1.8 4.64 788 743 A 87 ALA H A 88 THR HG2% 1.0 1.8 4.97 789 744 A 109 LEU H A 108 THR HG2% 1.0 1.8 4.05 790 745 A 8 ILE HG2% A 8 ILE HG1y 1.0 1.8 3.59 791 746 A 79 ILE HG2% A 79 ILE HG1y 1.0 1.8 3.98 792 747 A 100 ILE HG2% A 100 ILE HG1y 1.0 1.8 4.13 793 748 A 8 ILE HG2% A 8 ILE HG1x 1.0 1.8 3.59 794 749 A 30 ILE HG2% A 30 ILE HG1x 1.0 1.8 3.67 795 750 A 61 ILE HG2% A 61 ILE HG1x 1.0 1.8 4.14 796 751 A 79 ILE HG2% A 79 ILE HG1x 1.0 1.8 3.98 797 752 A 10 LEU H A 10 LEU HD1% 1.0 1.8 4.63 798 753 A 27 GLU H A 24 LEU HD1% 1.0 1.8 5.78 799 754 A 24 LEU HD1% A 44 ARG HE 1.0 1.8 6.05 800 755 A 105 ILE H A 61 ILE HD1% 1.0 1.8 4.66 801 756 A 100 ILE H A 100 ILE HD1% 1.0 1.8 4.86 802 757 A 91 TYR H A 89 ALA HA 1.0 1.8 4.94 803 758 A 96 VAL H A 95 ASP HA 1.0 1.8 3.90 804 759 A 34 ASP HA A 35 GLY HAx 1.0 1.8 5.14 805 760 A 3 ARG H A 2 MET HBx 1.0 1.8 4.05 806 760 A 3 ARG H A 2 MET HBy 1.0 1.8 4.05 807 761 A 4 LEU H A 3 ARG HBx 1.0 1.8 5.37 808 762 A 12 LYS H A 11 ASP HBx 1.0 1.8 5.43 809 763 A 19 LEU H A 18 GLU HBx 1.0 1.8 5.44 810 763 A 18 GLU HBy A 19 LEU H 1.0 1.8 5.44 811 764 A 38 SER HBx A 39 ASP H 1.0 1.8 3.95 812 765 A 52 GLY H A 51 LYS HBx 1.0 1.8 4.92 813 766 A 65 VAL H A 64 SER HBx 1.0 1.8 5.37 814 767 A 96 VAL H A 95 ASP HBx 1.0 1.8 5.27 815 768 A 4 LEU H A 3 ARG HBy 1.0 1.8 5.37 816 769 A 11 ASP HBy A 12 LYS H 1.0 1.8 5.43 817 770 A 27 GLU H A 26 ARG HBy 1.0 1.8 4.64 818 771 A 32 ASN HBy A 33 GLU H 1.0 1.8 4.95 819 772 A 40 GLU H A 39 ASP HBy 1.0 1.8 4.72 820 773 A 52 GLY H A 51 LYS HBy 1.0 1.8 4.92 821 774 A 56 MET H A 55 ARG HBy 1.0 1.8 4.63 822 775 A 61 ILE H A 60 SER HBy 1.0 1.8 5.47 823 776 A 65 VAL H A 64 SER HBy 1.0 1.8 5.37 824 777 A 96 VAL H A 95 ASP HBy 1.0 1.8 5.27 825 778 A 110 GLU H A 109 LEU HBy 1.0 1.8 5.01 826 779 A 9 VAL HB A 10 LEU H 1.0 1.8 4.80 827 780 A 14 THR HB A 15 THR H 1.0 1.8 4.26 828 781 A 37 VAL HB A 38 SER H 1.0 1.8 4.19 829 782 A 41 ILE HB A 42 LYS H 1.0 1.8 5.38 830 783 A 89 ALA H A 88 THR HB 1.0 1.8 4.75 831 784 A 101 LYS H A 100 ILE HB 1.0 1.8 5.03 832 785 A 4 LEU H A 3 ARG HGy 1.0 1.8 4.18 833 785 A 4 LEU H A 3 ARG HGx 1.0 1.8 4.18 834 786 A 13 ASP H A 12 LYS HGy 1.0 1.8 5.13 835 787 A 27 GLU H A 26 ARG HGy 1.0 1.8 5.21 836 788 A 28 VAL H A 27 GLU HGy 1.0 1.8 5.70 837 789 A 52 GLY H A 51 LYS HGy 1.0 1.8 6.05 838 790 A 52 GLY H A 51 LYS HGx 1.0 1.8 6.05 839 791 A 76 VAL H A 75 ARG HGy 1.0 1.8 5.49 840 792 A 78 LEU H A 77 GLU HGy 1.0 1.8 5.50 841 793 A 19 LEU H A 18 GLU HGx 1.0 1.8 5.65 842 794 A 28 VAL H A 27 GLU HGx 1.0 1.8 6.01 843 795 A 34 ASP H A 33 GLU HGy 1.0 1.8 6.05 844 796 A 34 ASP H A 33 GLU HGx 1.0 1.8 6.05 845 797 A 41 ILE H A 40 GLU HGx 1.0 1.8 5.18 846 798 A 76 VAL H A 75 ARG HGx 1.0 1.8 5.49 847 799 A 102 ALA H A 101 LYS HGx 1.0 1.8 5.59 848 800 A 11 ASP H A 10 LEU HG 1.0 1.8 5.14 849 801 A 20 LYS H A 19 LEU HG 1.0 1.8 6.05 850 802 A 61 ILE HD1% A 61 ILE HA 1.0 1.8 4.75 851 803 A 61 ILE HA A 62 PRO HDx 1.0 1.8 4.50 852 804 A 58 GLN HA A 59 VAL HG2% 1.0 1.8 4.83 853 805 A 101 LYS HA A 59 VAL HG1% 1.0 1.8 4.86 854 806 A 101 LYS HA A 100 ILE HG2% 1.0 1.8 5.30 855 807 A 76 VAL HG1% A 107 LEU HD2% 1.0 1.8 3.73 856 808 A 107 LEU H A 107 LEU HD2% 1.0 1.8 4.49 857 809 A 26 ARG HA A 24 LEU HD1% 1.0 1.8 5.14 858 810 A 102 ALA HB% A 78 LEU HD1% 1.0 1.8 4.94 859 811 A 78 LEU HD1% A 59 VAL HG1% 1.0 1.8 4.14 860 812 A 78 LEU HD1% A 81 PRO HBx 1.0 1.8 4.60 861 812 A 78 LEU HD1% A 81 PRO HBy 1.0 1.8 4.60 862 813 A 48 LEU HD2% A 76 VAL HG1% 1.0 1.8 5.10 863 814 A 107 LEU HG A 76 VAL HG1% 1.0 1.8 5.30 864 815 A 105 ILE HG2% A 76 VAL HG1% 1.0 1.8 3.94 865 816 A 21 PHE HBx A 76 VAL HG1% 1.0 1.8 5.25 866 817 A 21 PHE HBy A 76 VAL HG1% 1.0 1.8 4.89 867 818 A 76 VAL HG1% A 70 PHE HE% 1.0 1.8 4.33 868 819 A 76 VAL H A 76 VAL HG1% 1.0 1.8 4.51 869 820 A 19 LEU HD2% A 57 ILE HD1% 1.0 1.8 3.52 870 821 A 16 PHE HD% A 57 ILE HD1% 1.0 1.8 4.91 871 822 A 57 ILE HD1% A 16 PHE HE% 1.0 1.8 5.06 872 823 A 76 VAL HG2% A 48 LEU HD2% 1.0 1.8 3.75 873 824 A 76 VAL HG2% A 48 LEU HD1% 1.0 1.8 3.78 874 825 A 76 VAL HG2% A 21 PHE HD% 1.0 1.8 5.37 875 826 A 76 VAL HG2% A 70 PHE HE% 1.0 1.8 5.98 876 827 A 106 VAL HG2% A 79 ILE HG1x 1.0 1.8 4.68 877 828 A 78 LEU HA A 106 VAL HG2% 1.0 1.8 5.07 878 829 A 78 LEU HD2% A 59 VAL HG1% 1.0 1.8 3.09 879 830 A 102 ALA HB% A 78 LEU HD2% 1.0 1.8 4.13 880 831 A 78 LEU H A 78 LEU HD2% 1.0 1.8 4.88 881 832 A 61 ILE HG2% A 105 ILE HD1% 1.0 1.8 3.89 882 833 A 61 ILE HD1% A 105 ILE HD1% 1.0 1.8 4.20 883 834 A 59 VAL HB A 105 ILE HD1% 1.0 1.8 4.59 884 835 A 105 ILE HD1% A 70 PHE HE% 1.0 1.8 5.52 885 836 A 105 ILE HD1% A 65 VAL HG1% 1.0 1.8 5.46 886 837 A 102 ALA HB% A 105 ILE HD1% 1.0 1.8 5.93 887 838 A 103 ASP HBx A 79 ILE HD1% 1.0 1.8 5.50 888 839 A 79 ILE HD1% A 104 ASP HBx 1.0 1.8 5.44 889 840 A 78 LEU HA A 79 ILE HD1% 1.0 1.8 5.22 890 841 A 80 ASN H A 79 ILE HD1% 1.0 1.8 4.93 891 842 A 100 ILE HD1% A 57 ILE HD1% 1.0 1.8 4.20 892 843 A 57 ILE HB A 100 ILE HD1% 1.0 1.8 4.61 893 844 A 100 ILE HD1% A 16 PHE HE% 1.0 1.8 4.52 894 845 A 100 ILE HD1% A 16 PHE HZ 1.0 1.8 4.71 895 846 A 19 LEU HD1% A 78 LEU HD1% 1.0 1.8 4.08 896 847 A 78 LEU HG A 19 LEU HD1% 1.0 1.8 4.29 897 848 A 29 ARG HA A 41 ILE HD1% 1.0 1.8 5.32 898 849 A 41 ILE HD1% A 44 ARG HE 1.0 1.8 4.86 899 850 A 19 LEU HD2% A 16 PHE HBx 1.0 1.8 5.22 900 851 A 107 LEU H A 106 VAL HG1% 1.0 1.8 4.53 901 852 A 76 VAL HG2% A 105 ILE HG2% 1.0 1.8 3.83 902 853 A 105 ILE HG2% A 76 VAL HB 1.0 1.8 3.79 903 854 A 105 ILE HG2% A 70 PHE HE% 1.0 1.8 4.09 904 855 A 106 VAL H A 105 ILE HG2% 1.0 1.8 4.28 905 856 A 48 LEU HD1% A 105 ILE HD1% 1.0 1.8 3.72 906 857 A 48 LEU HD1% A 57 ILE HD1% 1.0 1.8 4.38 907 858 A 59 VAL HB A 48 LEU HD1% 1.0 1.8 4.59 908 859 A 30 ILE HD1% A 40 GLU HBx 1.0 1.8 3.67 909 859 A 40 GLU HBy A 30 ILE HD1% 1.0 1.8 3.67 910 860 A 31 GLN H A 30 ILE HD1% 1.0 1.8 5.67 911 861 A 4 LEU HD1% A 2 MET HBx 1.0 1.8 5.33 912 861 A 4 LEU HD1% A 2 MET HBy 1.0 1.8 5.33 913 862 A 9 VAL H A 8 ILE HG2% 1.0 1.8 4.16 914 863 A 82 ILE HD1% A 101 LYS HEx 1.0 1.8 4.74 915 863 A 82 ILE HD1% A 101 LYS HEy 1.0 1.8 4.74 916 864 A 83 ALA H A 82 ILE HD1% 1.0 1.8 5.09 917 865 A 86 VAL H A 86 VAL HGy% 1.0 1.8 4.59 918 866 A 87 ALA H A 86 VAL HGy% 1.0 1.8 4.91 919 867 A 28 VAL HA A 28 VAL HG2% 1.0 1.8 3.84 920 868 A 67 LEU HD2% A 69 GLU HGx 1.0 1.8 4.10 921 868 A 69 GLU HGy A 67 LEU HD2% 1.0 1.8 4.10 922 869 A 21 PHE HA A 48 LEU HD2% 1.0 1.8 4.03 923 870 A 21 PHE HD% A 48 LEU HD2% 1.0 1.8 4.17 924 871 A 105 ILE HB A 61 ILE HD1% 1.0 1.8 4.54 925 872 A 61 ILE HD1% A 68 LYS HEy 1.0 1.8 5.10 926 873 A 104 ASP HA A 61 ILE HD1% 1.0 1.8 4.94 927 874 A 103 ASP HBy A 79 ILE HG2% 1.0 1.8 4.31 928 875 A 79 ILE HG2% A 80 ASN HBx 1.0 1.8 4.83 929 876 A 103 ASP HBx A 79 ILE HG2% 1.0 1.8 4.46 930 877 A 9 VAL H A 9 VAL HG1% 1.0 1.8 4.66 931 878 A 29 ARG H A 28 VAL HG2% 1.0 1.8 4.32 932 879 A 61 ILE HG2% A 62 PRO HDx 1.0 1.8 4.65 933 880 A 40 GLU HBy A 30 ILE HG1x 1.0 1.8 4.68 934 880 A 30 ILE HG1x A 40 GLU HBx 1.0 1.8 4.68 935 881 A 24 LEU HD1% A 67 LEU HD1% 1.0 1.8 4.22 936 882 A 67 LEU HD1% A 44 ARG HE 1.0 1.8 4.98 937 883 A 61 ILE HD1% A 65 VAL HG1% 1.0 1.8 3.41 938 884 A 65 VAL HG1% A 65 VAL HA 1.0 1.8 4.17 939 885 A 102 ALA HB% A 59 VAL HG1% 1.0 1.8 3.58 940 886 A 74 ALA HB% A 76 VAL HG1% 1.0 1.8 4.32 941 887 A 74 ALA HB% A 21 PHE HBx 1.0 1.8 4.80 942 888 A 74 ALA HB% A 21 PHE HBy 1.0 1.8 4.97 943 889 A 74 ALA HB% A 71 ASP HBx 1.0 1.8 4.51 944 890 A 74 ALA HB% A 70 PHE HA 1.0 1.8 4.88 945 891 A 74 ALA HB% A 21 PHE HD% 1.0 1.8 4.88 946 892 A 74 ALA HB% A 70 PHE HD% 1.0 1.8 5.06 947 893 A 79 ILE HG1x A 104 ASP HBx 1.0 1.8 5.93 948 894 A 79 ILE HG1y A 104 ASP HBx 1.0 1.8 5.93 949 895 A 24 LEU HD1% A 44 ARG HBx 1.0 1.8 5.81 950 896 A 63 ALA HB% A 62 PRO HA 1.0 1.8 4.70 951 897 A 63 ALA HB% A 42 LYS HA 1.0 1.8 4.39 952 898 A 105 ILE HB A 70 PHE HE% 1.0 1.8 5.37 953 899 A 105 ILE HB A 68 LYS HEy 1.0 1.8 5.17 954 900 A 42 LYS HA A 30 ILE HG1x 1.0 1.8 5.22 955 901 A 83 ALA HB% A 100 ILE HG2% 1.0 1.8 3.77 956 902 A 23 ALA HB% A 21 PHE HE% 1.0 1.8 5.17 957 903 A 72 TYR HE% A 23 ALA HB% 1.0 1.8 5.97 958 904 A 100 ILE HA A 101 LYS HDx 1.0 1.8 5.47 959 904 A 101 LYS HDy A 100 ILE HA 1.0 1.8 5.47 960 905 A 48 LEU HA A 49 LYS HDx 1.0 1.8 6.05 961 906 A 82 ILE HD1% A 101 LYS HBx 1.0 1.8 4.76 962 907 A 79 ILE HB A 103 ASP HBx 1.0 1.8 4.98 963 908 A 61 ILE HA A 62 PRO HDy 1.0 1.8 4.50 964 909 A 61 ILE HG2% A 62 PRO HDy 1.0 1.8 4.65 965 910 A 65 VAL HG2% A 62 PRO HDx 1.0 1.8 5.46 966 911 A 41 ILE HG2% A 42 LYS HA 1.0 1.8 5.31 967 912 A 36 SER HA A 37 VAL HG2% 1.0 1.8 4.36 968 913 A 65 VAL HA A 66 PRO HGy 1.0 1.8 5.24 969 914 A 65 VAL HA A 66 PRO HDy 1.0 1.8 4.20 970 915 A 40 GLU HA A 30 ILE HD1% 1.0 1.8 4.74 971 916 A 9 VAL HA A 10 LEU HG 1.0 1.8 4.96 972 917 A 88 THR HA A 91 TYR HD% 1.0 1.8 6.01 973 918 A 8 ILE HG2% A 7 GLY HAy 1.0 1.8 5.29 974 919 A 65 VAL HG1% A 66 PRO HDy 1.0 1.8 4.58 975 920 A 73 ASN HA A 20 LYS HBy 1.0 1.8 4.49 976 921 A 38 SER HBx A 37 VAL HA 1.0 1.8 5.71 977 922 A 38 SER HBy A 37 VAL HA 1.0 1.8 4.96 978 923 A 38 SER HBx A 30 ILE HG2% 1.0 1.8 4.53 979 924 A 38 SER HBx A 30 ILE HD1% 1.0 1.8 4.95 980 925 A 19 LEU HD2% A 50 SER HBx 1.0 1.8 5.08 981 926 A 31 GLN HBx A 30 ILE HA 1.0 1.8 5.91 982 927 A 31 GLN HBy A 30 ILE HA 1.0 1.8 5.02 983 928 A 65 VAL HG1% A 66 PRO HDx 1.0 1.8 4.58 984 929 A 65 VAL HA A 66 PRO HDx 1.0 1.8 4.20 985 930 A 108 THR HB A 75 ARG HBy 1.0 1.8 4.69 986 931 A 28 VAL HG2% A 42 LYS HEx 1.0 1.8 6.00 987 931 A 28 VAL HG2% A 42 LYS HEy 1.0 1.8 6.00 988 932 A 98 TRP H A 97 ASP HBx 1.0 1.8 4.83 989 932 A 97 ASP HBy A 98 TRP H 1.0 1.8 4.83 990 933 A 4 LEU HD2% A 2 MET HGx 1.0 1.8 5.86 991 933 A 4 LEU HD2% A 2 MET HGy 1.0 1.8 5.86 992 934 A 74 ALA HB% A 71 ASP HBy 1.0 1.8 4.51 993 935 A 37 VAL HG2% A 31 GLN HGy 1.0 1.8 5.10 994 936 A 30 ILE HD1% A 40 GLU HGx 1.0 1.8 4.54 995 937 A 67 LEU HG A 69 GLU HGx 1.0 1.8 4.55 996 937 A 69 GLU HGy A 67 LEU HG 1.0 1.8 4.55 997 938 A 61 ILE HB A 62 PRO HDx 1.0 1.8 4.91 998 939 A 65 VAL HG2% A 61 ILE HB 1.0 1.8 5.16 999 940 A 30 ILE HB A 29 ARG HA 1.0 1.8 5.93 1000 941 A 41 ILE HB A 29 ARG HA 1.0 1.8 6.05 1001 942 A 108 THR HG2% A 77 GLU HGy 1.0 1.8 4.93 1002 943 A 35 GLY HAy A 31 GLN HGy 1.0 1.8 5.17 1003 944 A 35 GLY HAy A 31 GLN HGx 1.0 1.8 6.05 1004 945 A 18 GLU HBy A 17 GLY HAy 1.0 1.8 5.44 1005 945 A 17 GLY HAy A 18 GLU HBx 1.0 1.8 5.44 1006 946 A 18 GLU HBy A 17 GLY HAx 1.0 1.8 5.44 1007 946 A 17 GLY HAx A 18 GLU HBx 1.0 1.8 5.44 1008 947 A 105 ILE HG2% A 68 LYS HEy 1.0 1.8 5.37 1009 948 A 103 ASP HBy A 80 ASN HBy 1.0 1.8 5.42 1010 949 A 63 ALA HB% A 62 PRO HBx 1.0 1.8 5.79 1011 950 A 65 VAL HG2% A 62 PRO HBx 1.0 1.8 5.59 1012 951 A 63 ALA HB% A 62 PRO HBy 1.0 1.8 5.01 1013 952 A 103 ASP H A 80 ASN HBy 1.0 1.8 5.28 1014 953 A 103 ASP H A 80 ASN HBx 1.0 1.8 5.28 1015 954 A 105 ILE HB A 68 LYS HDx 1.0 1.8 4.91 1016 954 A 105 ILE HB A 68 LYS HDy 1.0 1.8 4.91 1017 955 A 105 ILE HB A 68 LYS HEx 1.0 1.8 5.17 1018 956 A 61 ILE HD1% A 68 LYS HEx 1.0 1.8 5.10 1019 957 A 105 ILE HG2% A 68 LYS HEx 1.0 1.8 5.37 1020 958 A 108 THR HG2% A 77 GLU HGx 1.0 1.8 4.93 1021 959 A 109 LEU HG A 108 THR HG2% 1.0 1.8 4.63 1022 960 A 46 TYR HH A 67 LEU HA 1.0 1.8 5.37 1023 961 A 31 GLN HBx A 30 ILE HG2% 1.0 1.8 5.36 1024 962 A 28 VAL HB A 43 GLU H 1.0 1.8 5.59 1025 963 A 44 ARG H A 41 ILE HG2% 1.0 1.8 5.87 1026 964 A 41 ILE HG2% A 44 ARG HE 1.0 1.8 6.05 1027 965 A 27 GLU HGy A 24 LEU HD2% 1.0 1.8 4.39 1028 966 A 27 GLU HGx A 24 LEU HD1% 1.0 1.8 5.20 1029 967 A 28 VAL HG1% A 26 ARG HGx 1.0 1.8 4.04 1030 968 A 38 SER H A 37 VAL HG2% 1.0 1.8 4.52 1031 969 A 37 VAL H A 37 VAL HG1% 1.0 1.8 4.30 1032 970 A 27 GLU HBy A 41 ILE HG2% 1.0 1.8 4.49 1033 971 A 109 LEU HG A 108 THR HA 1.0 1.8 4.73 1034 972 A 108 THR HA A 77 GLU HGy 1.0 1.8 4.72 1035 973 A 104 ASP HBy A 79 ILE HG1y 1.0 1.8 5.93 1036 974 A 104 ASP HBy A 79 ILE HG1x 1.0 1.8 5.93 1037 975 A 106 VAL HG1% A 104 ASP HBy 1.0 1.8 5.48 1038 976 A 79 ILE HD1% A 104 ASP HBy 1.0 1.8 5.44 1039 977 A 106 VAL HG1% A 104 ASP HBx 1.0 1.8 5.48 1040 978 A 79 ILE HB A 104 ASP HBx 1.0 1.8 5.43 1041 979 A 79 ILE HB A 104 ASP HBy 1.0 1.8 5.43 1042 980 A 79 ILE HB A 78 LEU HD2% 1.0 1.8 5.27 1043 981 A 48 LEU HG A 59 VAL HG2% 1.0 1.8 4.50 1044 982 A 108 THR HA A 77 GLU HGx 1.0 1.8 4.72 1045 983 A 102 ALA HB% A 81 PRO HBx 1.0 1.8 4.17 1046 983 A 102 ALA HB% A 81 PRO HBy 1.0 1.8 4.17 1047 984 A 100 ILE HG2% A 81 PRO HBx 1.0 1.8 5.08 1048 984 A 100 ILE HG2% A 81 PRO HBy 1.0 1.8 5.08 1049 985 A 98 TRP H A 98 TRP HD1 1.0 1.8 4.54 1050 986 A 99 TYR H A 98 TRP HD1 1.0 1.8 5.64 1051 987 A 98 TRP HD1 A 98 TRP HA 1.0 1.8 4.47 1052 988 A 57 ILE HG2% A 98 TRP HZ2 1.0 1.8 4.61 1053 989 A 100 ILE HD1% A 98 TRP HZ2 1.0 1.8 4.86 1054 990 A 57 ILE HG2% A 98 TRP HH2 1.0 1.8 5.71 1055 991 A 100 ILE HG2% A 98 TRP HH2 1.0 1.8 5.93 1056 992 A 100 ILE HG2% A 98 TRP HZ3 1.0 1.8 4.62 1057 993 A 83 ALA HB% A 98 TRP HE3 1.0 1.8 4.83 1058 994 A 100 ILE HG2% A 98 TRP HE3 1.0 1.8 5.97 1059 995 A 70 PHE HA A 70 PHE HD% 1.0 1.8 3.93 1060 996 A 105 ILE HG2% A 70 PHE HD% 1.0 1.8 4.58 1061 997 A 107 LEU HD1% A 70 PHE HD% 1.0 1.8 4.42 1062 998 A 70 PHE HD% A 76 VAL HG1% 1.0 1.8 4.38 1063 999 A 70 PHE HD% A 107 LEU HD2% 1.0 1.8 4.59 1064 1000 A 68 LYS HBx A 70 PHE HE% 1.0 1.8 4.83 1065 1001 A 107 LEU HG A 70 PHE HZ 1.0 1.8 4.95 1066 1002 A 99 TYR HA A 99 TYR HD% 1.0 1.8 4.04 1067 1003 A 91 TYR HA A 91 TYR HD% 1.0 1.8 3.50 1068 1004 A 91 TYR H A 91 TYR HD% 1.0 1.8 3.98 1069 1005 A 100 ILE H A 99 TYR HD% 1.0 1.8 4.40 1070 1006 A 99 TYR H A 99 TYR HD% 1.0 1.8 4.09 1071 1007 A 87 ALA HB% A 91 TYR HD% 1.0 1.8 3.89 1072 1008 A 24 LEU HD2% A 46 TYR HD% 1.0 1.8 4.85 1073 1009 A 90 THR HG2% A 91 TYR HD% 1.0 1.8 4.43 1074 1010 A 24 LEU HG A 46 TYR HD% 1.0 1.8 5.28 1075 1011 A 45 THR HG2% A 99 TYR HD% 1.0 1.8 5.47 1076 1012 A 105 ILE HD1% A 46 TYR HD% 1.0 1.8 3.93 1077 1013 A 46 TYR HD% A 46 TYR HA 1.0 1.8 4.30 1078 1014 A 72 TYR HE% A 22 SER HA 1.0 1.8 4.26 1079 1015 A 73 ASN H A 72 TYR HD% 1.0 1.8 4.28 1080 1016 A 72 TYR H A 72 TYR HD% 1.0 1.8 4.71 1081 1017 A 22 SER HA A 72 TYR HD% 1.0 1.8 3.99 1082 1018 A 72 TYR HA A 72 TYR HD% 1.0 1.8 3.90 1083 1019 A 59 VAL H A 46 TYR HD% 1.0 1.8 6.05 1084 1020 A 61 ILE H A 46 TYR HD% 1.0 1.8 6.05 1085 1021 A 46 TYR HD% A 46 TYR H 1.0 1.8 4.57 1086 1022 A 25 ARG H A 46 TYR HD% 1.0 1.8 4.73 1087 1023 A 57 ILE HG2% A 16 PHE HD% 1.0 1.8 4.59 1088 1024 A 21 PHE HD% A 21 PHE HZ 1.0 1.8 4.33 1089 1025 A 24 LEU H A 21 PHE HZ 1.0 1.8 4.94 1090 1026 A 57 ILE HG2% A 16 PHE HZ 1.0 1.8 4.80 1091 1027 A 100 ILE HG2% A 16 PHE HZ 1.0 1.8 5.07 1092 1028 A 16 PHE HD% A 19 LEU HD1% 1.0 1.8 5.14 1093 1029 A 16 PHE HD% A 100 ILE HD1% 1.0 1.8 5.46 1094 1030 A 107 LEU HG A 70 PHE HE% 1.0 1.8 4.64 1095 1031 A 107 LEU HD1% A 70 PHE HE% 1.0 1.8 4.52 1096 1032 A 46 TYR HE% A 21 PHE HZ 1.0 1.8 4.95 1097 1033 A 24 LEU HD1% A 46 TYR HE% 1.0 1.8 4.38 1098 1034 A 61 ILE HD1% A 46 TYR HE% 1.0 1.8 4.19 1099 1035 A 105 ILE HB A 46 TYR HE% 1.0 1.8 5.21 1100 1036 A 67 LEU HD1% A 46 TYR HE% 1.0 1.8 4.33 1101 1037 A 24 LEU HBy A 46 TYR HE% 1.0 1.8 4.80 1102 1038 A 24 LEU HD2% A 46 TYR HE% 1.0 1.8 4.75 1103 1039 A 91 TYR H A 91 TYR HE% 1.0 1.8 5.84 1104 1040 A 91 TYR HE% A 87 ALA HA 1.0 1.8 4.86 1105 1041 A 87 ALA HB% A 91 TYR HE% 1.0 1.8 4.26 1106 1042 A 90 THR HG2% A 91 TYR HE% 1.0 1.8 4.85 1107 1043 A 99 TYR HE% A 58 GLN HBy 1.0 1.8 4.83 1108 1044 A 99 TYR HE% A 58 GLN HBx 1.0 1.8 4.83 1109 1045 A 45 THR HG2% A 99 TYR HE% 1.0 1.8 4.71 1110 1046 A 98 TRP HD1 A 97 ASP HBx 1.0 1.8 5.19 1111 1046 A 97 ASP HBy A 98 TRP HD1 1.0 1.8 5.19 1112 1047 A 23 ALA HA A 21 PHE HZ 1.0 1.8 4.98 1113 1048 A 98 TRP HA A 99 TYR HD% 1.0 1.8 4.40 1114 1049 A 91 TYR HD% A 87 ALA HA 1.0 1.8 5.09 1115 1050 A 24 LEU HA A 46 TYR HD% 1.0 1.8 4.07 1116 1051 A 88 THR HA A 88 THR HB 1.0 1.8 2.85 1117 1052 A 33 GLU HA A 33 GLU HBx 1.0 1.8 3.23 1118 1052 A 33 GLU HBy A 33 GLU HA 1.0 1.8 3.23 1119 1053 A 1 MET HA A 1 MET HGx 1.0 1.8 4.29 1120 1053 A 1 MET HA A 1 MET HGy 1.0 1.8 4.29 1121 1054 A 25 ARG HA A 25 ARG HGy 1.0 1.8 4.32 1122 1055 A 26 ARG HA A 26 ARG HGx 1.0 1.8 4.50 1123 1056 A 29 ARG HA A 29 ARG HGy 1.0 1.8 4.33 1124 1057 A 30 ILE HA A 30 ILE HG2% 1.0 1.8 3.55 1125 1058 A 40 GLU HA A 40 GLU HGy 1.0 1.8 4.05 1126 1059 A 41 ILE HA A 41 ILE HG2% 1.0 1.8 3.60 1127 1060 A 42 LYS HA A 30 ILE HG1y 1.0 1.8 5.22 1128 1061 A 51 LYS HA A 51 LYS HGy 1.0 1.8 4.61 1129 1062 A 53 GLN HA A 53 GLN HGy 1.0 1.8 4.57 1130 1063 A 57 ILE HG2% A 57 ILE HA 1.0 1.8 4.07 1131 1064 A 69 GLU HA A 69 GLU HGx 1.0 1.8 3.64 1132 1064 A 69 GLU HA A 69 GLU HGy 1.0 1.8 3.64 1133 1065 A 77 GLU HA A 77 GLU HGy 1.0 1.8 4.49 1134 1066 A 90 THR HG2% A 90 THR HA 1.0 1.8 3.72 1135 1067 A 96 VAL HA A 96 VAL HG2% 1.0 1.8 3.98 1136 1068 A 101 LYS HA A 101 LYS HGy 1.0 1.8 4.60 1137 1069 A 106 VAL HA A 106 VAL HG2% 1.0 1.8 4.42 1138 1070 A 110 GLU HA A 110 GLU HGy 1.0 1.8 4.30 1139 1071 A 2 MET HA A 2 MET HGx 1.0 1.8 4.08 1140 1071 A 2 MET HA A 2 MET HGy 1.0 1.8 4.08 1141 1072 A 18 GLU HA A 18 GLU HGx 1.0 1.8 4.36 1142 1073 A 25 ARG HA A 25 ARG HGx 1.0 1.8 4.32 1143 1074 A 27 GLU HA A 27 GLU HGx 1.0 1.8 4.52 1144 1075 A 29 ARG HA A 29 ARG HGx 1.0 1.8 4.33 1145 1076 A 40 GLU HA A 40 GLU HGx 1.0 1.8 4.05 1146 1077 A 42 LYS HA A 42 LYS HGx 1.0 1.8 4.61 1147 1078 A 51 LYS HA A 51 LYS HGx 1.0 1.8 4.61 1148 1079 A 77 GLU HA A 77 GLU HGx 1.0 1.8 4.49 1149 1080 A 101 LYS HA A 101 LYS HGx 1.0 1.8 4.58 1150 1081 A 4 LEU HG A 4 LEU HA 1.0 1.8 4.17 1151 1082 A 48 LEU HA A 49 LYS HDy 1.0 1.8 6.05 1152 1083 A 67 LEU HG A 67 LEU HA 1.0 1.8 4.68 1153 1084 A 78 LEU HA A 78 LEU HG 1.0 1.8 4.64 1154 1085 A 4 LEU HD1% A 4 LEU HA 1.0 1.8 3.98 1155 1086 A 8 ILE HA A 8 ILE HG2% 1.0 1.8 3.49 1156 1087 A 30 ILE HA A 30 ILE HD1% 1.0 1.8 4.37 1157 1088 A 48 LEU HD1% A 48 LEU HA 1.0 1.8 4.65 1158 1089 A 57 ILE HD1% A 57 ILE HA 1.0 1.8 5.28 1159 1090 A 78 LEU HA A 78 LEU HD1% 1.0 1.8 5.09 1160 1091 A 82 ILE HA A 100 ILE HG2% 1.0 1.8 5.41 1161 1092 A 105 ILE HA A 78 LEU HD2% 1.0 1.8 4.39 1162 1093 A 4 LEU HD2% A 4 LEU HA 1.0 1.8 3.89 1163 1094 A 10 LEU HA A 10 LEU HD2% 1.0 1.8 4.86 1164 1095 A 16 PHE HD% A 16 PHE HA 1.0 1.8 4.44 1165 1096 A 20 LYS HA A 20 LYS HDy 1.0 1.8 5.53 1166 1097 A 21 PHE HA A 21 PHE HD% 1.0 1.8 4.85 1167 1098 A 24 LEU HD2% A 24 LEU HA 1.0 1.8 5.16 1168 1099 A 25 ARG HA A 25 ARG HDy 1.0 1.8 4.00 1169 1100 A 51 LYS HA A 51 LYS HDx 1.0 1.8 4.52 1170 1100 A 51 LYS HDy A 51 LYS HA 1.0 1.8 4.52 1171 1101 A 25 ARG HA A 25 ARG HDx 1.0 1.8 4.00 1172 1102 A 42 LYS HA A 42 LYS HDx 1.0 1.8 4.54 1173 1103 A 55 ARG HA A 55 ARG HDy 1.0 1.8 4.99 1174 1103 A 55 ARG HA A 55 ARG HDx 1.0 1.8 4.99 1175 1104 A 41 ILE HA A 41 ILE HG1y 1.0 1.8 4.37 1176 1105 A 83 ALA HB% A 82 ILE HA 1.0 1.8 5.71 1177 1106 A 8 ILE HA A 8 ILE HG1x 1.0 1.8 4.29 1178 1107 A 30 ILE HA A 30 ILE HG1x 1.0 1.8 4.27 1179 1108 A 41 ILE HA A 41 ILE HG1x 1.0 1.8 4.37 1180 1109 A 9 VAL HA A 9 VAL HG1% 1.0 1.8 3.86 1181 1110 A 37 VAL HA A 37 VAL HG1% 1.0 1.8 3.52 1182 1111 A 96 VAL HA A 96 VAL HG1% 1.0 1.8 3.98 1183 1112 A 70 PHE HA A 70 PHE HE% 1.0 1.8 5.03 1184 1113 A 72 TYR HE% A 72 TYR HA 1.0 1.8 6.05 1185 1114 A 91 TYR HA A 91 TYR HE% 1.0 1.8 5.37 1186 1115 A 98 TRP HA A 98 TRP HE3 1.0 1.8 5.48 1187 1116 A 47 ASP HA A 25 ARG HBx 1.0 1.8 6.05 1188 1116 A 25 ARG HBy A 47 ASP HA 1.0 1.8 6.05 1189 1117 A 24 LEU HBy A 24 LEU HD2% 1.0 1.8 3.65 1190 1118 A 42 LYS HBx A 42 LYS HDx 1.0 1.8 4.39 1191 1119 A 109 LEU HG A 109 LEU HA 1.0 1.8 4.53 1192 1120 A 3 ARG HA A 3 ARG HGy 1.0 1.8 4.19 1193 1120 A 3 ARG HA A 3 ARG HGx 1.0 1.8 4.19 1194 1121 A 18 GLU HA A 18 GLU HGy 1.0 1.8 4.36 1195 1122 A 31 GLN HA A 31 GLN HGy 1.0 1.8 4.23 1196 1123 A 31 GLN HA A 31 GLN HGx 1.0 1.8 4.27 1197 1124 A 110 GLU HA A 110 GLU HGx 1.0 1.8 4.30 1198 1125 A 41 ILE HG2% A 41 ILE HG1y 1.0 1.8 3.69 1199 1126 A 82 ILE HG2% A 82 ILE HG1y 1.0 1.8 3.55 1200 1127 A 4 LEU HD2% A 4 LEU HBx 1.0 1.8 3.69 1201 1128 A 51 LYS HDy A 51 LYS HBx 1.0 1.8 4.14 1202 1128 A 51 LYS HBx A 51 LYS HDx 1.0 1.8 4.14 1203 1129 A 12 LYS HEx A 12 LYS HGy 1.0 1.8 3.74 1204 1129 A 12 LYS HEy A 12 LYS HGy 1.0 1.8 3.74 1205 1130 A 20 LYS HEx A 20 LYS HGy 1.0 1.8 4.37 1206 1130 A 20 LYS HEy A 20 LYS HGy 1.0 1.8 4.37 1207 1131 A 51 LYS HEx A 51 LYS HGy 1.0 1.8 3.82 1208 1131 A 51 LYS HEy A 51 LYS HGy 1.0 1.8 3.82 1209 1132 A 51 LYS HGx A 51 LYS HEx 1.0 1.8 3.82 1210 1132 A 51 LYS HEy A 51 LYS HGx 1.0 1.8 3.82 1211 1133 A 12 LYS HEy A 12 LYS HGx 1.0 1.8 3.74 1212 1133 A 12 LYS HGx A 12 LYS HEx 1.0 1.8 3.74 1213 1134 A 101 LYS HGx A 101 LYS HEx 1.0 1.8 3.75 1214 1134 A 101 LYS HGx A 101 LYS HEy 1.0 1.8 3.75 1215 1135 A 42 LYS HEx A 42 LYS HGy 1.0 1.8 4.09 1216 1135 A 42 LYS HEy A 42 LYS HGy 1.0 1.8 4.09 1217 1136 A 49 LYS HEx A 49 LYS HGy 1.0 1.8 4.50 1218 1137 A 42 LYS HGx A 42 LYS HEx 1.0 1.8 4.09 1219 1137 A 42 LYS HEy A 42 LYS HGx 1.0 1.8 4.09 1220 1138 A 51 LYS HDx A 51 LYS HEx 1.0 1.8 3.09 1221 1138 A 51 LYS HDy A 51 LYS HEx 1.0 1.8 3.09 1222 1138 A 51 LYS HEy A 51 LYS HDx 1.0 1.8 3.09 1223 1138 A 51 LYS HDy A 51 LYS HEy 1.0 1.8 3.09 1224 1139 A 78 LEU HD1% A 105 ILE HD1% 1.0 1.8 4.93 1225 1140 A 109 LEU HD1% A 109 LEU HBy 1.0 1.8 3.52 1226 1141 A 109 LEU HD2% A 109 LEU HBy 1.0 1.8 3.52 1227 1142 A 4 LEU HD1% A 4 LEU HBy 1.0 1.8 3.63 1228 1143 A 24 LEU HBy A 24 LEU HD1% 1.0 1.8 4.30 1229 1144 A 48 LEU HD1% A 48 LEU HBy 1.0 1.8 4.35 1230 1145 A 67 LEU HD1% A 67 LEU HBy 1.0 1.8 3.88 1231 1146 A 48 LEU HD2% A 48 LEU HBy 1.0 1.8 4.02 1232 1147 A 4 LEU HD1% A 4 LEU HBx 1.0 1.8 3.63 1233 1148 A 24 LEU HBx A 24 LEU HD1% 1.0 1.8 4.09 1234 1149 A 107 LEU HD1% A 107 LEU HBx 1.0 1.8 3.71 1235 1150 A 109 LEU HD1% A 109 LEU HBx 1.0 1.8 3.52 1236 1151 A 48 LEU HD2% A 48 LEU HBx 1.0 1.8 4.02 1237 1152 A 78 LEU HD2% A 78 LEU HBx 1.0 1.8 4.41 1238 1153 A 107 LEU HD2% A 107 LEU HBx 1.0 1.8 3.84 1239 1154 A 3 ARG HDy A 3 ARG HBx 1.0 1.8 3.77 1240 1154 A 3 ARG HBx A 3 ARG HDx 1.0 1.8 3.77 1241 1155 A 26 ARG HDx A 26 ARG HBx 1.0 1.8 4.32 1242 1156 A 75 ARG HDx A 75 ARG HBx 1.0 1.8 4.25 1243 1157 A 26 ARG HBy A 26 ARG HDx 1.0 1.8 4.32 1244 1158 A 42 LYS HBy A 42 LYS HDx 1.0 1.8 4.39 1245 1159 A 51 LYS HDy A 51 LYS HBy 1.0 1.8 4.14 1246 1159 A 51 LYS HBy A 51 LYS HDx 1.0 1.8 4.14 1247 1160 A 25 ARG HBx A 25 ARG HDy 1.0 1.8 4.59 1248 1160 A 25 ARG HBy A 25 ARG HDy 1.0 1.8 4.59 1249 1161 A 26 ARG HBx A 26 ARG HDy 1.0 1.8 4.32 1250 1162 A 75 ARG HBx A 75 ARG HDy 1.0 1.8 4.25 1251 1163 A 26 ARG HBy A 26 ARG HDy 1.0 1.8 4.32 1252 1164 A 29 ARG HDy A 29 ARG HBy 1.0 1.8 4.18 1253 1164 A 29 ARG HBy A 29 ARG HDx 1.0 1.8 4.18 1254 1165 A 42 LYS HBy A 42 LYS HDy 1.0 1.8 4.39 1255 1166 A 75 ARG HBy A 75 ARG HDy 1.0 1.8 4.25 1256 1167 A 29 ARG HDy A 29 ARG HBx 1.0 1.8 4.18 1257 1167 A 29 ARG HBx A 29 ARG HDx 1.0 1.8 4.18 1258 1168 A 30 ILE HB A 30 ILE HD1% 1.0 1.8 3.58 1259 1169 A 41 ILE HB A 41 ILE HD1% 1.0 1.8 3.76 1260 1170 A 61 ILE HD1% A 61 ILE HB 1.0 1.8 4.27 1261 1171 A 79 ILE HB A 79 ILE HD1% 1.0 1.8 4.30 1262 1172 A 82 ILE HG2% A 82 ILE HD1% 1.0 1.8 2.64 1263 1173 A 8 ILE HA A 8 ILE HD1% 1.0 1.8 4.72 1264 1174 A 41 ILE HA A 41 ILE HD1% 1.0 1.8 4.28 1265 1175 A 109 LEU HA A 109 LEU HD1% 1.0 1.8 4.50 1266 1176 A 30 ILE HG2% A 30 ILE HD1% 1.0 1.8 2.64 1267 1177 A 41 ILE HD1% A 41 ILE HG2% 1.0 1.8 2.64 1268 1178 A 37 VAL HA A 37 VAL HG2% 1.0 1.8 3.51 1269 1179 A 45 THR HG2% A 45 THR HA 1.0 1.8 4.20 1270 1180 A 59 VAL HG1% A 59 VAL HA 1.0 1.8 4.17 1271 1181 A 59 VAL HG2% A 59 VAL HA 1.0 1.8 4.54 1272 1182 A 65 VAL HG2% A 65 VAL HA 1.0 1.8 3.87 1273 1183 A 20 LYS HA A 76 VAL HG2% 1.0 1.8 4.70 1274 1184 A 79 ILE HG2% A 79 ILE HA 1.0 1.8 3.92 1275 1185 A 82 ILE HA A 82 ILE HG2% 1.0 1.8 3.93 1276 1186 A 88 THR HA A 88 THR HG2% 1.0 1.8 3.61 1277 1187 A 105 ILE HA A 105 ILE HG2% 1.0 1.8 3.99 1278 1188 A 108 THR HA A 108 THR HG2% 1.0 1.8 3.61 1279 1189 A 61 ILE HG2% A 61 ILE HG1y 1.0 1.8 4.14 1280 1190 A 100 ILE HG2% A 101 LYS HGx 1.0 1.8 5.28 1281 1191 A 102 ALA HB% A 100 ILE HG2% 1.0 1.8 4.81 1282 1192 A 10 LEU HA A 10 LEU HD1% 1.0 1.8 4.86 1283 1193 A 24 LEU HD1% A 24 LEU HA 1.0 1.8 4.25 1284 1194 A 67 LEU HD1% A 67 LEU HA 1.0 1.8 3.79 1285 1195 A 79 ILE HD1% A 79 ILE HA 1.0 1.8 3.76 1286 1196 A 82 ILE HA A 82 ILE HD1% 1.0 1.8 4.72 1287 1197 A 105 ILE HA A 105 ILE HD1% 1.0 1.8 5.01 1288 1198 A 107 LEU HA A 107 LEU HD1% 1.0 1.8 4.62 1289 1199 A 19 LEU HA A 19 LEU HD2% 1.0 1.8 4.19 1290 1200 A 48 LEU HD2% A 48 LEU HA 1.0 1.8 4.06 1291 1201 A 67 LEU HD2% A 67 LEU HA 1.0 1.8 4.71 1292 1202 A 78 LEU HA A 78 LEU HD2% 1.0 1.8 3.87 1293 1203 A 107 LEU HA A 107 LEU HD2% 1.0 1.8 3.77 1294 1204 A 109 LEU HA A 109 LEU HD2% 1.0 1.8 3.47 1295 1205 A 45 THR HA A 60 SER HA 1.0 1.8 4.07 1296 1206 A 58 GLN HA A 45 THR HG2% 1.0 1.8 5.16 1297 1207 A 65 VAL HG2% A 61 ILE HA 1.0 1.8 5.63 1298 1208 A 76 VAL HA A 108 THR HG2% 1.0 1.8 5.42 1299 1209 A 76 VAL HA A 105 ILE HG2% 1.0 1.8 4.95 1300 1210 A 19 LEU HA A 50 SER HA 1.0 1.8 5.16 1301 1211 A 20 LYS HA A 75 ARG HA 1.0 1.8 4.52 1302 1212 A 81 PRO HA A 100 ILE HG2% 1.0 1.8 5.04 1303 1213 A 59 VAL HA A 100 ILE HB 1.0 1.8 5.09 1304 1214 A 56 MET HA A 49 LYS HA 1.0 1.8 4.33 1305 1215 A 106 VAL HA A 70 PHE HZ 1.0 1.8 4.65 1306 1216 A 106 VAL HA A 70 PHE HE% 1.0 1.8 5.26 1307 1217 A 102 ALA HA A 81 PRO HBx 1.0 1.8 5.16 1308 1217 A 102 ALA HA A 81 PRO HBy 1.0 1.8 5.16 1309 1218 A 102 ALA HA A 82 ILE HD1% 1.0 1.8 5.78 1310 1219 A 100 ILE HG2% A 102 ALA HA 1.0 1.8 6.05 1311 1220 A 81 PRO HA A 102 ALA HA 1.0 1.8 4.29 1312 1221 A 44 ARG HA A 24 LEU HD2% 1.0 1.8 6.05 1313 1222 A 44 ARG HA A 28 VAL HG1% 1.0 1.8 6.05 1314 1223 A 44 ARG HA A 45 THR HG2% 1.0 1.8 6.05 1315 1224 A 44 ARG HA A 27 GLU HBy 1.0 1.8 6.05 1316 1225 A 44 ARG HA A 27 GLU HGx 1.0 1.8 6.05 1317 1226 A 83 ALA HB% A 84 ASP HA 1.0 1.8 5.06 1318 1227 A 84 ASP HA A 82 ILE HD1% 1.0 1.8 5.56 1319 1228 A 63 ALA HB% A 43 GLU HA 1.0 1.8 4.55 1320 1229 A 29 ARG HA A 28 VAL HG2% 1.0 1.8 5.28 1321 1230 A 29 ARG HA A 37 VAL HG1% 1.0 1.8 6.05 1322 1231 A 29 ARG HA A 41 ILE HG2% 1.0 1.8 4.64 1323 1232 A 24 LEU HA A 46 TYR HA 1.0 1.8 4.55 1324 1233 A 104 ASP HA A 61 ILE HG2% 1.0 1.8 3.99 1325 1234 A 104 ASP HA A 65 VAL HG1% 1.0 1.8 4.93 1326 1235 A 102 ALA HB% A 104 ASP HA 1.0 1.8 5.43 1327 1236 A 100 ILE HD1% A 57 ILE HA 1.0 1.8 5.47 1328 1237 A 16 PHE HE% A 16 PHE HA 1.0 1.8 5.60 1329 1238 A 65 VAL HG2% A 62 PRO HDy 1.0 1.8 5.46 1330 1239 A 23 ALA HA A 21 PHE HE% 1.0 1.8 4.58 1331 1240 A 23 ALA HA A 21 PHE HD% 1.0 1.8 5.30 1332 1241 A 109 LEU HA A 108 THR HG2% 1.0 1.8 5.05 1333 1242 A 76 VAL HA A 107 LEU HA 1.0 1.8 4.38 1334 1243 A 29 ARG HA A 41 ILE HA 1.0 1.8 3.99 1335 1244 A 74 ALA HB% A 107 LEU HD2% 1.0 1.8 3.58 1336 1245 A 76 VAL HA A 107 LEU HD2% 1.0 1.8 4.68 1337 1246 A 107 LEU HD2% A 70 PHE HE% 1.0 1.8 4.74 1338 1247 A 27 GLU HGy A 24 LEU HD1% 1.0 1.8 5.04 1339 1248 A 44 ARG HA A 24 LEU HD1% 1.0 1.8 5.16 1340 1249 A 24 LEU HD1% A 46 TYR HA 1.0 1.8 5.08 1341 1250 A 27 GLU HA A 24 LEU HD1% 1.0 1.8 5.91 1342 1251 A 70 PHE HA A 107 LEU HD2% 1.0 1.8 5.68 1343 1252 A 24 LEU HD1% A 46 TYR HD% 1.0 1.8 4.74 1344 1253 A 59 VAL HG2% A 78 LEU HD1% 1.0 1.8 4.32 1345 1254 A 105 ILE HB A 76 VAL HG1% 1.0 1.8 6.05 1346 1255 A 107 LEU HA A 76 VAL HG1% 1.0 1.8 4.37 1347 1256 A 76 VAL HA A 76 VAL HG1% 1.0 1.8 4.07 1348 1257 A 106 VAL HG2% A 79 ILE HG1y 1.0 1.8 4.68 1349 1258 A 105 ILE HA A 106 VAL HG2% 1.0 1.8 5.36 1350 1259 A 59 VAL HB A 78 LEU HD2% 1.0 1.8 5.37 1351 1260 A 105 ILE HD1% A 46 TYR HE% 1.0 1.8 5.04 1352 1261 A 79 ILE HD1% A 106 VAL HB 1.0 1.8 4.74 1353 1262 A 83 ALA HB% A 100 ILE HD1% 1.0 1.8 4.23 1354 1263 A 77 GLU HA A 19 LEU HD1% 1.0 1.8 4.57 1355 1264 A 63 ALA HB% A 41 ILE HD1% 1.0 1.8 4.60 1356 1265 A 27 GLU HBx A 41 ILE HD1% 1.0 1.8 4.47 1357 1266 A 27 GLU HBy A 41 ILE HD1% 1.0 1.8 4.42 1358 1267 A 41 ILE HD1% A 29 ARG HDx 1.0 1.8 4.57 1359 1267 A 41 ILE HD1% A 29 ARG HDy 1.0 1.8 4.57 1360 1268 A 27 GLU HA A 41 ILE HD1% 1.0 1.8 5.63 1361 1269 A 19 LEU HD2% A 16 PHE HBy 1.0 1.8 5.22 1362 1270 A 19 LEU HD2% A 50 SER HBy 1.0 1.8 5.08 1363 1271 A 19 LEU HD2% A 16 PHE HA 1.0 1.8 5.20 1364 1272 A 19 LEU HD2% A 50 SER HA 1.0 1.8 4.25 1365 1273 A 106 VAL HA A 106 VAL HG1% 1.0 1.8 3.66 1366 1274 A 30 ILE HD1% A 42 LYS HA 1.0 1.8 4.53 1367 1275 A 48 LEU HD2% A 21 PHE HE% 1.0 1.8 5.36 1368 1276 A 48 LEU HD2% A 46 TYR HD% 1.0 1.8 5.80 1369 1277 A 61 ILE HD1% A 59 VAL HG1% 1.0 1.8 5.71 1370 1278 A 61 ILE HD1% A 105 ILE HG2% 1.0 1.8 6.05 1371 1279 A 79 ILE HG2% A 80 ASN HBy 1.0 1.8 4.83 1372 1280 A 61 ILE HG2% A 46 TYR HD% 1.0 1.8 5.42 1373 1281 A 61 ILE HG2% A 46 TYR HE% 1.0 1.8 5.37 1374 1282 A 37 VAL HG1% A 29 ARG HBx 1.0 1.8 4.35 1375 1283 A 45 THR HG2% A 25 ARG HBx 1.0 1.8 4.13 1376 1283 A 25 ARG HBy A 45 THR HG2% 1.0 1.8 4.13 1377 1284 A 45 THR HG2% A 60 SER HA 1.0 1.8 4.76 1378 1285 A 67 LEU HD1% A 69 GLU HGx 1.0 1.8 5.20 1379 1285 A 69 GLU HGy A 67 LEU HD1% 1.0 1.8 5.20 1380 1286 A 24 LEU HBy A 67 LEU HD1% 1.0 1.8 5.19 1381 1287 A 67 LEU HD1% A 44 ARG HDy 1.0 1.8 4.63 1382 1288 A 67 LEU HD1% A 44 ARG HDx 1.0 1.8 4.63 1383 1289 A 102 ALA HB% A 81 PRO HA 1.0 1.8 4.29 1384 1290 A 74 ALA HB% A 107 LEU HD1% 1.0 1.8 4.81 1385 1291 A 63 ALA HB% A 41 ILE HG2% 1.0 1.8 3.61 1386 1292 A 41 ILE HB A 63 ALA HB% 1.0 1.8 4.07 1387 1293 A 87 ALA HB% A 99 TYR HD% 1.0 1.8 4.85 1388 1294 A 87 ALA HB% A 99 TYR HE% 1.0 1.8 5.96 1389 1295 A 45 THR HB A 26 ARG HGx 1.0 1.8 5.67 1390 1296 A 68 LYS HBx A 69 GLU HBy 1.0 1.8 5.57 1391 1297 A 5 ALA HB% A 4 LEU HD1% 1.0 1.8 4.65 1392 1298 A 30 ILE HA A 30 ILE HG1y 1.0 1.8 4.27 1393 1299 A 83 ALA HB% A 98 TRP HZ3 1.0 1.8 5.26 1394 1300 A 20 LYS HA A 20 LYS HDx 1.0 1.8 5.53 1395 1301 A 84 ASP HA A 101 LYS HDx 1.0 1.8 5.25 1396 1301 A 84 ASP HA A 101 LYS HDy 1.0 1.8 5.25 1397 1302 A 106 VAL HG2% A 77 GLU HBx 1.0 1.8 4.60 1398 1303 A 101 LYS HA A 101 LYS HDx 1.0 1.8 4.76 1399 1303 A 101 LYS HA A 101 LYS HDy 1.0 1.8 4.76 1400 1304 A 45 THR HB A 26 ARG HBy 1.0 1.8 5.51 1401 1305 A 45 THR HB A 26 ARG HBx 1.0 1.8 5.51 1402 1306 A 105 ILE HA A 61 ILE HG2% 1.0 1.8 5.21 1403 1307 A 44 ARG HA A 27 GLU HA 1.0 1.8 3.99 1404 1308 A 62 PRO HA A 43 GLU HGy 1.0 1.8 6.05 1405 1309 A 62 PRO HA A 43 GLU HGx 1.0 1.8 6.05 1406 1310 A 45 THR HB A 26 ARG HGy 1.0 1.8 4.69 1407 1311 A 45 THR HB A 25 ARG HBx 1.0 1.8 5.40 1408 1311 A 45 THR HB A 25 ARG HBy 1.0 1.8 5.40 1409 1312 A 108 THR HB A 75 ARG HBx 1.0 1.8 4.69 1410 1313 A 68 LYS HA A 68 LYS HDx 1.0 1.8 4.63 1411 1313 A 68 LYS HA A 68 LYS HDy 1.0 1.8 4.63 1412 1314 A 67 LEU HA A 44 ARG HDy 1.0 1.8 5.24 1413 1315 A 67 LEU HA A 44 ARG HDx 1.0 1.8 5.24 1414 1316 A 47 ASP HBy A 22 SER HBx 1.0 1.8 6.05 1415 1317 A 47 ASP HBx A 22 SER HBx 1.0 1.8 5.61 1416 1318 A 21 PHE HA A 48 LEU HA 1.0 1.8 5.07 1417 1319 A 21 PHE HA A 48 LEU HD1% 1.0 1.8 5.21 1418 1320 A 21 PHE HA A 76 VAL HG2% 1.0 1.8 5.44 1419 1321 A 21 PHE HA A 76 VAL HG1% 1.0 1.8 5.54 1420 1322 A 32 ASN HA A 31 GLN HBx 1.0 1.8 5.93 1421 1323 A 32 ASN HA A 33 GLU HBx 1.0 1.8 6.05 1422 1323 A 32 ASN HA A 33 GLU HBy 1.0 1.8 6.05 1423 1324 A 32 ASN HA A 31 GLN HGy 1.0 1.8 6.05 1424 1325 A 32 ASN HA A 30 ILE HG2% 1.0 1.8 4.57 1425 1326 A 43 GLU HA A 63 ALA HA 1.0 1.8 4.99 1426 1327 A 31 GLN HA A 37 VAL HA 1.0 1.8 3.58 1427 1328 A 85 THR HA A 86 VAL HGx% 1.0 1.8 6.05 1428 1329 A 85 THR HA A 86 VAL HGy% 1.0 1.8 6.05 1429 1330 A 26 ARG HA A 24 LEU HD2% 1.0 1.8 4.50 1430 1331 A 28 VAL HA A 28 VAL HG1% 1.0 1.8 3.61 1431 1332 A 86 VAL HA A 86 VAL HGx% 1.0 1.8 4.08 1432 1333 A 86 VAL HA A 86 VAL HGy% 1.0 1.8 4.08 1433 1334 A 38 SER HBx A 40 GLU HBx 1.0 1.8 4.83 1434 1334 A 38 SER HBx A 40 GLU HBy 1.0 1.8 4.83 1435 1335 A 38 SER HBy A 40 GLU HBx 1.0 1.8 5.29 1436 1335 A 38 SER HBy A 40 GLU HBy 1.0 1.8 5.29 1437 1336 A 38 SER HBy A 30 ILE HB 1.0 1.8 4.32 1438 1337 A 38 SER HBx A 30 ILE HB 1.0 1.8 4.02 1439 1338 A 38 SER HBx A 37 VAL HG1% 1.0 1.8 5.17 1440 1339 A 38 SER HBy A 30 ILE HG2% 1.0 1.8 4.11 1441 1340 A 30 ILE HD1% A 42 LYS HEx 1.0 1.8 5.31 1442 1340 A 30 ILE HD1% A 42 LYS HEy 1.0 1.8 5.31 1443 1341 A 27 GLU HGy A 41 ILE HD1% 1.0 1.8 5.75 1444 1342 A 82 ILE HD1% A 101 LYS HDx 1.0 1.8 4.20 1445 1342 A 101 LYS HDy A 82 ILE HD1% 1.0 1.8 4.20 1446 1343 A 83 ALA HA A 100 ILE HD1% 1.0 1.8 5.29 1447 1344 A 61 ILE HD1% A 46 TYR HD% 1.0 1.8 5.49 1448 1345 A 61 ILE HG2% A 59 VAL HG1% 1.0 1.8 3.86 1449 1346 A 108 THR HG2% A 77 GLU HBy 1.0 1.8 4.20 1450 1347 A 108 THR HG2% A 77 GLU HBx 1.0 1.8 4.20 1451 1348 A 45 THR HG2% A 25 ARG HDy 1.0 1.8 5.33 1452 1349 A 45 THR HG2% A 25 ARG HDx 1.0 1.8 5.33 1453 1350 A 45 THR HG2% A 58 GLN HGy 1.0 1.8 4.96 1454 1351 A 45 THR HG2% A 58 GLN HGx 1.0 1.8 4.96 1455 1352 A 4 LEU HD2% A 2 MET HBx 1.0 1.8 4.65 1456 1352 A 4 LEU HD2% A 2 MET HBy 1.0 1.8 4.65 1457 1353 A 101 LYS HGy A 101 LYS HEx 1.0 1.8 3.89 1458 1353 A 101 LYS HGy A 101 LYS HEy 1.0 1.8 3.89 1459 1354 A 65 VAL HG2% A 62 PRO HGy 1.0 1.8 5.18 1460 1355 A 65 VAL HG2% A 62 PRO HGx 1.0 1.8 5.18 1461 1356 A 40 GLU HBy A 30 ILE HG1y 1.0 1.8 4.68 1462 1356 A 30 ILE HG1y A 40 GLU HBx 1.0 1.8 4.68 1463 1357 A 65 VAL HB A 61 ILE HD1% 1.0 1.8 4.22 1464 1358 A 37 VAL HG1% A 29 ARG HBy 1.0 1.8 4.35 1465 1359 A 37 VAL HB A 29 ARG HDx 1.0 1.8 5.37 1466 1359 A 37 VAL HB A 29 ARG HDy 1.0 1.8 5.37 1467 1360 A 24 LEU HD1% A 44 ARG HBy 1.0 1.8 5.81 1468 1361 A 37 VAL HG2% A 31 GLN HGx 1.0 1.8 4.51 1469 1362 A 37 VAL HA A 31 GLN HGy 1.0 1.8 4.60 1470 1363 A 37 VAL HA A 31 GLN HGx 1.0 1.8 4.64 1471 1364 A 82 ILE HD1% A 101 LYS HBy 1.0 1.8 4.76 1472 1365 A 30 ILE HD1% A 40 GLU HGy 1.0 1.8 4.54 1473 1366 A 72 TYR HD% A 73 ASN HBy 1.0 1.8 5.89 1474 1367 A 72 TYR HD% A 73 ASN HBx 1.0 1.8 5.89 1475 1368 A 103 ASP HBy A 80 ASN HBx 1.0 1.8 5.42 1476 1369 A 27 GLU HGx A 24 LEU HD2% 1.0 1.8 4.54 1477 1370 A 38 SER HA A 30 ILE HB 1.0 1.8 6.05 1478 1371 A 87 ALA HB% A 99 TYR HBx 1.0 1.8 5.89 1479 1372 A 87 ALA HB% A 99 TYR HBy 1.0 1.8 5.89 1480 1373 A 21 PHE HBx A 48 LEU HD2% 1.0 1.8 5.69 1481 1374 A 48 LEU HD1% A 46 TYR HBx 1.0 1.8 5.48 1482 1375 A 48 LEU HD1% A 46 TYR HBy 1.0 1.8 5.48 1483 1376 A 47 ASP HBy A 22 SER HBy 1.0 1.8 6.05 1484 1377 A 30 ILE HA A 42 LYS HEx 1.0 1.8 6.05 1485 1377 A 30 ILE HA A 42 LYS HEy 1.0 1.8 6.05 1486 1378 A 23 ALA HA A 47 ASP HBy 1.0 1.8 5.33 1487 1379 A 48 LEU HD2% A 47 ASP HBy 1.0 1.8 5.33 1488 1380 A 30 ILE HG2% A 42 LYS HEx 1.0 1.8 4.74 1489 1380 A 30 ILE HG2% A 42 LYS HEy 1.0 1.8 4.74 1490 1381 A 12 LYS HBx A 12 LYS HEx 1.0 1.8 4.06 1491 1381 A 12 LYS HBy A 12 LYS HEx 1.0 1.8 4.06 1492 1381 A 12 LYS HEy A 12 LYS HBx 1.0 1.8 4.06 1493 1381 A 12 LYS HBy A 12 LYS HEy 1.0 1.8 4.06 1494 1382 A 29 ARG HA A 29 ARG HDx 1.0 1.8 4.13 1495 1382 A 29 ARG HA A 29 ARG HDy 1.0 1.8 4.13 1496 1383 A 3 ARG HA A 3 ARG HDx 1.0 1.8 4.47 1497 1383 A 3 ARG HA A 3 ARG HDy 1.0 1.8 4.47 1498 1384 A 41 ILE HA A 29 ARG HDx 1.0 1.8 4.89 1499 1384 A 41 ILE HA A 29 ARG HDy 1.0 1.8 4.89 1500 1385 A 31 GLN HGy A 35 GLY HAx 1.0 1.8 6.05 1501 1386 A 8 ILE HG2% A 7 GLY HAx 1.0 1.8 5.29 1502 1387 A 68 LYS HBx A 68 LYS HDx 1.0 1.8 4.23 1503 1387 A 68 LYS HBx A 68 LYS HDy 1.0 1.8 4.23 1504 1388 A 20 LYS HA A 73 ASN HA 1.0 1.8 5.38 1505 1389 A 32 ASN HA A 33 GLU HA 1.0 1.8 5.24 1506 1390 A 26 ARG HA A 27 GLU HGx 1.0 1.8 3.87 1507 1391 A 43 GLU HA A 62 PRO HA 1.0 1.8 4.14 1508 1392 A 38 SER HBy A 37 VAL HG1% 1.0 1.8 4.93 1509 1393 A 47 ASP HBx A 22 SER HBy 1.0 1.8 5.61 1510 1394 A 66 PRO HA A 65 VAL HG1% 1.0 1.8 5.01 1511 1395 A 89 ALA HB% A 90 THR HA 1.0 1.8 5.50 1512 1396 A 26 ARG HA A 24 LEU HG 1.0 1.8 4.70 1513 1397 A 83 ALA HA A 100 ILE HA 1.0 1.8 4.33 1514 1398 A 31 GLN HA A 37 VAL HG1% 1.0 1.8 4.13 1515 1399 A 41 ILE HG2% A 63 ALA HA 1.0 1.8 4.77 1516 1400 A 41 ILE HB A 63 ALA HA 1.0 1.8 5.19 1517 1401 A 69 GLU HA A 67 LEU HD2% 1.0 1.8 5.05 1518 1402 A 73 ASN HA A 20 LYS HBx 1.0 1.8 4.49 1519 1403 A 28 VAL HG1% A 26 ARG HDy 1.0 1.8 5.05 1520 1404 A 28 VAL HG1% A 26 ARG HDx 1.0 1.8 5.05 1521 1405 A 37 VAL HG1% A 29 ARG HDx 1.0 1.8 3.79 1522 1405 A 29 ARG HDy A 37 VAL HG1% 1.0 1.8 3.79 1523 1406 A 41 ILE HG2% A 29 ARG HDx 1.0 1.8 4.73 1524 1406 A 29 ARG HDy A 41 ILE HG2% 1.0 1.8 4.73 1525 1407 A 61 ILE HG2% A 104 ASP HBy 1.0 1.8 6.05 1526 1408 A 79 ILE HG2% A 104 ASP HBy 1.0 1.8 6.05 1527 1409 A 30 ILE HB A 40 GLU HBx 1.0 1.8 4.22 1528 1409 A 30 ILE HB A 40 GLU HBy 1.0 1.8 4.22 1529 1410 A 106 VAL HG2% A 77 GLU HGx 1.0 1.8 4.54 1530 1411 A 106 VAL HG2% A 77 GLU HGy 1.0 1.8 4.54 1531 1412 A 106 VAL HG2% A 77 GLU HBy 1.0 1.8 4.60 1532 1413 A 104 ASP HA A 105 ILE HD1% 1.0 1.8 5.42 1533 1414 A 104 ASP HA A 78 LEU HD2% 1.0 1.8 4.95 1534 1415 A 83 ALA HB% A 100 ILE HA 1.0 1.8 4.73 1535 1416 A 78 LEU HA A 106 VAL HG1% 1.0 1.8 5.44 1536 1417 A 20 LYS HA A 20 LYS HEx 1.0 1.8 5.33 1537 1417 A 20 LYS HA A 20 LYS HEy 1.0 1.8 5.33 1538 1418 A 75 ARG HA A 20 LYS HEx 1.0 1.8 6.05 1539 1418 A 75 ARG HA A 20 LYS HEy 1.0 1.8 6.05 1540 1419 A 61 ILE HA A 62 PRO HGy 1.0 1.8 5.53 1541 1420 A 61 ILE HA A 62 PRO HGx 1.0 1.8 5.53 1542 1421 A 27 GLU HBx A 41 ILE HG2% 1.0 1.8 4.41 1543 1422 A 67 LEU HD2% A 68 LYS HBy 1.0 1.8 6.05 1544 1423 A 26 ARG HGy A 28 VAL HG1% 1.0 1.8 3.94 1545 1424 A 61 ILE HG2% A 104 ASP HBx 1.0 1.8 6.05 1546 1425 A 79 ILE HG2% A 104 ASP HBx 1.0 1.8 6.05 1547 1426 A 23 ALA HB% A 21 PHE HZ 1.0 1.8 5.50 1548 1427 A 59 VAL HG1% A 100 ILE HB 1.0 1.8 5.20 1549 1428 A 59 VAL HG2% A 100 ILE HB 1.0 1.8 4.21 1550 1429 A 3 ARG H A 3 ARG HBx 1.0 1.8 3.66 1551 1429 A 3 ARG H A 3 ARG HBy 1.0 1.8 3.66 1552 1430 A 3 ARG HBx A 3 ARG HGy 1.0 1.8 2.66 1553 1430 A 3 ARG HGx A 3 ARG HBx 1.0 1.8 2.66 1554 1430 A 3 ARG HGx A 3 ARG HBy 1.0 1.8 2.66 1555 1430 A 3 ARG HBy A 3 ARG HGy 1.0 1.8 2.66 1556 1431 A 4 LEU H A 3 ARG HBx 1.0 1.8 4.61 1557 1431 A 4 LEU H A 3 ARG HBy 1.0 1.8 4.61 1558 1432 A 4 LEU HD2% A 3 ARG HBx 1.0 1.8 5.09 1559 1432 A 4 LEU HD2% A 3 ARG HBy 1.0 1.8 5.09 1560 1433 A 4 LEU H A 4 LEU HBx 1.0 1.8 3.70 1561 1433 A 4 LEU H A 4 LEU HBy 1.0 1.8 3.70 1562 1434 A 4 LEU HD1% A 4 LEU HBx 1.0 1.8 3.11 1563 1434 A 4 LEU HD1% A 4 LEU HBy 1.0 1.8 3.11 1564 1435 A 5 ALA H A 4 LEU HBx 1.0 1.8 4.08 1565 1435 A 5 ALA H A 4 LEU HBy 1.0 1.8 4.08 1566 1436 A 6 ASN HBy A 6 ASN HD22 1.0 1.8 3.37 1567 1436 A 6 ASN HBx A 6 ASN HD22 1.0 1.8 3.37 1568 1436 A 6 ASN HD21 A 6 ASN HBx 1.0 1.8 3.37 1569 1436 A 6 ASN HBy A 6 ASN HD21 1.0 1.8 3.37 1570 1437 A 7 GLY H A 6 ASN HBx 1.0 1.8 4.27 1571 1437 A 7 GLY H A 6 ASN HBy 1.0 1.8 4.27 1572 1438 A 8 ILE HG2% A 7 GLY HAx 1.0 1.8 4.63 1573 1438 A 8 ILE HG2% A 7 GLY HAy 1.0 1.8 4.63 1574 1439 A 8 ILE H A 8 ILE HG1x 1.0 1.8 3.86 1575 1439 A 8 ILE H A 8 ILE HG1y 1.0 1.8 3.86 1576 1440 A 9 VAL H A 8 ILE HG1x 1.0 1.8 4.86 1577 1440 A 9 VAL H A 8 ILE HG1y 1.0 1.8 4.86 1578 1441 A 9 VAL HB A 8 ILE HG1x 1.0 1.8 5.70 1579 1441 A 9 VAL HB A 8 ILE HG1y 1.0 1.8 5.70 1580 1442 A 9 VAL H A 9 VAL HG1% 1.0 1.8 3.95 1581 1442 A 9 VAL H A 9 VAL HG2% 1.0 1.8 3.95 1582 1443 A 10 LEU H A 9 VAL HG1% 1.0 1.8 4.44 1583 1443 A 10 LEU H A 9 VAL HG2% 1.0 1.8 4.44 1584 1444 A 10 LEU HG A 9 VAL HG1% 1.0 1.8 4.65 1585 1444 A 10 LEU HG A 9 VAL HG2% 1.0 1.8 4.65 1586 1445 A 10 LEU HA A 10 LEU HD2% 1.0 1.8 3.70 1587 1445 A 10 LEU HA A 10 LEU HD1% 1.0 1.8 3.70 1588 1446 A 11 ASP H A 10 LEU HD2% 1.0 1.8 3.76 1589 1446 A 11 ASP H A 10 LEU HD1% 1.0 1.8 3.76 1590 1447 A 12 LYS H A 12 LYS HGy 1.0 1.8 4.53 1591 1447 A 12 LYS H A 12 LYS HGx 1.0 1.8 4.53 1592 1448 A 13 ASP H A 12 LYS HGy 1.0 1.8 4.36 1593 1448 A 13 ASP H A 12 LYS HGx 1.0 1.8 4.36 1594 1449 A 17 GLY H A 16 PHE HBx 1.0 1.8 4.63 1595 1449 A 17 GLY H A 16 PHE HBy 1.0 1.8 4.63 1596 1450 A 19 LEU HD1% A 16 PHE HBx 1.0 1.8 4.68 1597 1450 A 19 LEU HD1% A 16 PHE HBy 1.0 1.8 4.68 1598 1451 A 19 LEU HD2% A 16 PHE HBx 1.0 1.8 4.27 1599 1451 A 19 LEU HD2% A 16 PHE HBy 1.0 1.8 4.27 1600 1452 A 17 GLY HAy A 18 GLU HBx 1.0 1.8 4.70 1601 1452 A 17 GLY HAx A 18 GLU HBx 1.0 1.8 4.70 1602 1452 A 18 GLU HBy A 17 GLY HAx 1.0 1.8 4.70 1603 1452 A 18 GLU HBy A 17 GLY HAy 1.0 1.8 4.70 1604 1453 A 19 LEU HD2% A 17 GLY HAx 1.0 1.8 5.51 1605 1453 A 19 LEU HD2% A 17 GLY HAy 1.0 1.8 5.51 1606 1454 A 18 GLU H A 18 GLU HGx 1.0 1.8 3.87 1607 1454 A 18 GLU H A 18 GLU HGy 1.0 1.8 3.87 1608 1455 A 18 GLU HA A 18 GLU HGx 1.0 1.8 3.81 1609 1455 A 18 GLU HA A 18 GLU HGy 1.0 1.8 3.81 1610 1456 A 19 LEU H A 18 GLU HGx 1.0 1.8 4.70 1611 1456 A 19 LEU H A 18 GLU HGy 1.0 1.8 4.70 1612 1457 A 18 GLU HGx A 75 ARG HDy 1.0 1.8 5.10 1613 1457 A 18 GLU HGy A 75 ARG HDy 1.0 1.8 5.10 1614 1457 A 75 ARG HDx A 18 GLU HGx 1.0 1.8 5.10 1615 1457 A 18 GLU HGy A 75 ARG HDx 1.0 1.8 5.10 1616 1458 A 19 LEU HD1% A 19 LEU HBx 1.0 1.8 3.74 1617 1458 A 19 LEU HD1% A 19 LEU HBy 1.0 1.8 3.74 1618 1459 A 19 LEU HD2% A 19 LEU HBx 1.0 1.8 3.47 1619 1459 A 19 LEU HD2% A 19 LEU HBy 1.0 1.8 3.47 1620 1460 A 57 ILE HD1% A 19 LEU HBx 1.0 1.8 5.57 1621 1460 A 57 ILE HD1% A 19 LEU HBy 1.0 1.8 5.57 1622 1461 A 76 VAL HG2% A 19 LEU HBx 1.0 1.8 4.31 1623 1461 A 76 VAL HG2% A 19 LEU HBy 1.0 1.8 4.31 1624 1462 A 19 LEU HD2% A 48 LEU HBx 1.0 1.8 4.47 1625 1462 A 19 LEU HD2% A 48 LEU HBy 1.0 1.8 4.47 1626 1463 A 19 LEU HD2% A 50 SER HBx 1.0 1.8 4.33 1627 1463 A 19 LEU HD2% A 50 SER HBy 1.0 1.8 4.33 1628 1464 A 20 LYS H A 20 LYS HBx 1.0 1.8 3.95 1629 1464 A 20 LYS H A 20 LYS HBy 1.0 1.8 3.95 1630 1465 A 20 LYS H A 20 LYS HDx 1.0 1.8 5.87 1631 1465 A 20 LYS H A 20 LYS HDy 1.0 1.8 5.87 1632 1466 A 20 LYS H A 48 LEU HBx 1.0 1.8 5.87 1633 1466 A 20 LYS H A 48 LEU HBy 1.0 1.8 5.87 1634 1467 A 20 LYS H A 49 LYS HBx 1.0 1.8 4.91 1635 1467 A 20 LYS H A 49 LYS HBy 1.0 1.8 4.91 1636 1468 A 20 LYS HA A 20 LYS HDx 1.0 1.8 4.79 1637 1468 A 20 LYS HA A 20 LYS HDy 1.0 1.8 4.79 1638 1469 A 20 LYS HA A 75 ARG HGx 1.0 1.8 5.42 1639 1469 A 20 LYS HA A 75 ARG HGy 1.0 1.8 5.42 1640 1470 A 20 LYS HBx A 20 LYS HDx 1.0 1.8 3.49 1641 1470 A 20 LYS HBy A 20 LYS HDx 1.0 1.8 3.49 1642 1470 A 20 LYS HDy A 20 LYS HBx 1.0 1.8 3.49 1643 1470 A 20 LYS HBy A 20 LYS HDy 1.0 1.8 3.49 1644 1471 A 20 LYS HBy A 20 LYS HEx 1.0 1.8 4.18 1645 1471 A 20 LYS HBx A 20 LYS HEx 1.0 1.8 4.18 1646 1471 A 20 LYS HEy A 20 LYS HBx 1.0 1.8 4.18 1647 1471 A 20 LYS HEy A 20 LYS HBy 1.0 1.8 4.18 1648 1472 A 21 PHE H A 20 LYS HBx 1.0 1.8 4.47 1649 1472 A 21 PHE H A 20 LYS HBy 1.0 1.8 4.47 1650 1473 A 49 LYS H A 20 LYS HBx 1.0 1.8 5.17 1651 1473 A 49 LYS H A 20 LYS HBy 1.0 1.8 5.17 1652 1474 A 73 ASN H A 20 LYS HBx 1.0 1.8 5.04 1653 1474 A 73 ASN H A 20 LYS HBy 1.0 1.8 5.04 1654 1475 A 73 ASN HA A 20 LYS HBx 1.0 1.8 3.83 1655 1475 A 73 ASN HA A 20 LYS HBy 1.0 1.8 3.83 1656 1476 A 20 LYS HBy A 73 ASN HBx 1.0 1.8 5.70 1657 1476 A 20 LYS HBx A 73 ASN HBx 1.0 1.8 5.70 1658 1476 A 73 ASN HBy A 20 LYS HBx 1.0 1.8 5.70 1659 1476 A 20 LYS HBy A 73 ASN HBy 1.0 1.8 5.70 1660 1477 A 75 ARG HA A 20 LYS HBx 1.0 1.8 5.87 1661 1477 A 75 ARG HA A 20 LYS HBy 1.0 1.8 5.87 1662 1478 A 20 LYS HEx A 20 LYS HGy 1.0 1.8 3.75 1663 1478 A 20 LYS HEy A 20 LYS HGy 1.0 1.8 3.75 1664 1478 A 20 LYS HGx A 20 LYS HEx 1.0 1.8 3.75 1665 1478 A 20 LYS HEy A 20 LYS HGx 1.0 1.8 3.75 1666 1479 A 21 PHE H A 20 LYS HGy 1.0 1.8 5.20 1667 1479 A 21 PHE H A 20 LYS HGx 1.0 1.8 5.20 1668 1480 A 75 ARG HA A 20 LYS HGy 1.0 1.8 4.92 1669 1480 A 75 ARG HA A 20 LYS HGx 1.0 1.8 4.92 1670 1481 A 20 LYS HGy A 75 ARG HGx 1.0 1.8 4.97 1671 1481 A 20 LYS HGx A 75 ARG HGx 1.0 1.8 4.97 1672 1481 A 75 ARG HGy A 20 LYS HGy 1.0 1.8 4.97 1673 1481 A 75 ARG HGy A 20 LYS HGx 1.0 1.8 4.97 1674 1482 A 20 LYS HDx A 73 ASN HBx 1.0 1.8 4.84 1675 1482 A 20 LYS HDy A 73 ASN HBx 1.0 1.8 4.84 1676 1482 A 73 ASN HBy A 20 LYS HDx 1.0 1.8 4.84 1677 1482 A 20 LYS HDy A 73 ASN HBy 1.0 1.8 4.84 1678 1483 A 75 ARG HA A 20 LYS HDx 1.0 1.8 5.87 1679 1483 A 75 ARG HA A 20 LYS HDy 1.0 1.8 5.87 1680 1484 A 21 PHE HA A 48 LEU HBx 1.0 1.8 5.39 1681 1484 A 21 PHE HA A 48 LEU HBy 1.0 1.8 5.39 1682 1485 A 21 PHE HD% A 70 PHE HBx 1.0 1.8 5.73 1683 1485 A 21 PHE HD% A 70 PHE HBy 1.0 1.8 5.73 1684 1486 A 23 ALA H A 22 SER HBx 1.0 1.8 3.83 1685 1486 A 23 ALA H A 22 SER HBy 1.0 1.8 3.83 1686 1487 A 47 ASP HBy A 22 SER HBx 1.0 1.8 5.32 1687 1487 A 47 ASP HBy A 22 SER HBy 1.0 1.8 5.32 1688 1488 A 47 ASP HBx A 22 SER HBx 1.0 1.8 4.94 1689 1488 A 47 ASP HBx A 22 SER HBy 1.0 1.8 4.94 1690 1489 A 24 LEU HD1% A 44 ARG HBx 1.0 1.8 4.92 1691 1489 A 24 LEU HD1% A 44 ARG HBy 1.0 1.8 4.92 1692 1490 A 24 LEU HD1% A 44 ARG HDy 1.0 1.8 4.68 1693 1490 A 24 LEU HD1% A 44 ARG HDx 1.0 1.8 4.68 1694 1491 A 24 LEU HD2% A 44 ARG HDy 1.0 1.8 5.38 1695 1491 A 24 LEU HD2% A 44 ARG HDx 1.0 1.8 5.38 1696 1492 A 25 ARG H A 25 ARG HGx 1.0 1.8 4.53 1697 1492 A 25 ARG H A 25 ARG HGy 1.0 1.8 4.53 1698 1493 A 25 ARG HA A 25 ARG HGx 1.0 1.8 3.64 1699 1493 A 25 ARG HA A 25 ARG HGy 1.0 1.8 3.64 1700 1494 A 25 ARG HA A 25 ARG HDy 1.0 1.8 3.51 1701 1494 A 25 ARG HA A 25 ARG HDx 1.0 1.8 3.51 1702 1495 A 25 ARG HBx A 25 ARG HDy 1.0 1.8 3.69 1703 1495 A 25 ARG HBy A 25 ARG HDy 1.0 1.8 3.69 1704 1495 A 25 ARG HDx A 25 ARG HBx 1.0 1.8 3.69 1705 1495 A 25 ARG HBy A 25 ARG HDx 1.0 1.8 3.69 1706 1496 A 26 ARG H A 25 ARG HGx 1.0 1.8 3.97 1707 1496 A 26 ARG H A 25 ARG HGy 1.0 1.8 3.97 1708 1497 A 25 ARG HGy A 26 ARG HBx 1.0 1.8 4.81 1709 1497 A 25 ARG HGx A 26 ARG HBx 1.0 1.8 4.81 1710 1497 A 26 ARG HBy A 25 ARG HGx 1.0 1.8 4.81 1711 1497 A 25 ARG HGy A 26 ARG HBy 1.0 1.8 4.81 1712 1498 A 45 THR HB A 25 ARG HGx 1.0 1.8 4.23 1713 1498 A 45 THR HB A 25 ARG HGy 1.0 1.8 4.23 1714 1499 A 26 ARG HA A 25 ARG HDy 1.0 1.8 5.87 1715 1499 A 26 ARG HA A 25 ARG HDx 1.0 1.8 5.87 1716 1500 A 26 ARG HA A 26 ARG HDy 1.0 1.8 4.64 1717 1500 A 26 ARG HA A 26 ARG HDx 1.0 1.8 4.64 1718 1501 A 26 ARG HBx A 26 ARG HDy 1.0 1.8 3.26 1719 1501 A 26 ARG HBy A 26 ARG HDy 1.0 1.8 3.26 1720 1501 A 26 ARG HDx A 26 ARG HBx 1.0 1.8 3.26 1721 1501 A 26 ARG HBy A 26 ARG HDx 1.0 1.8 3.26 1722 1502 A 28 VAL HG1% A 26 ARG HBx 1.0 1.8 4.64 1723 1502 A 28 VAL HG1% A 26 ARG HBy 1.0 1.8 4.64 1724 1503 A 45 THR HB A 26 ARG HBx 1.0 1.8 4.73 1725 1503 A 45 THR HB A 26 ARG HBy 1.0 1.8 4.73 1726 1504 A 27 GLU H A 26 ARG HDy 1.0 1.8 5.68 1727 1504 A 27 GLU H A 26 ARG HDx 1.0 1.8 5.68 1728 1505 A 28 VAL HG1% A 26 ARG HDy 1.0 1.8 4.09 1729 1505 A 28 VAL HG1% A 26 ARG HDx 1.0 1.8 4.09 1730 1506 A 28 VAL HG1% A 42 LYS HBx 1.0 1.8 5.09 1731 1506 A 28 VAL HG1% A 42 LYS HBy 1.0 1.8 5.09 1732 1507 A 28 VAL HG2% A 42 LYS HBx 1.0 1.8 3.90 1733 1507 A 28 VAL HG2% A 42 LYS HBy 1.0 1.8 3.90 1734 1508 A 28 VAL HG2% A 42 LYS HDx 1.0 1.8 5.87 1735 1508 A 28 VAL HG2% A 42 LYS HDy 1.0 1.8 5.87 1736 1509 A 29 ARG H A 29 ARG HBx 1.0 1.8 3.48 1737 1509 A 29 ARG H A 29 ARG HBy 1.0 1.8 3.48 1738 1510 A 29 ARG H A 29 ARG HGx 1.0 1.8 3.45 1739 1510 A 29 ARG H A 29 ARG HGy 1.0 1.8 3.45 1740 1511 A 29 ARG HBy A 29 ARG HGx 1.0 1.8 2.57 1741 1511 A 29 ARG HBx A 29 ARG HGx 1.0 1.8 2.57 1742 1511 A 29 ARG HGy A 29 ARG HBx 1.0 1.8 2.57 1743 1511 A 29 ARG HBy A 29 ARG HGy 1.0 1.8 2.57 1744 1512 A 29 ARG HBy A 29 ARG HDx 1.0 1.8 3.34 1745 1512 A 29 ARG HBx A 29 ARG HDx 1.0 1.8 3.34 1746 1512 A 29 ARG HDy A 29 ARG HBx 1.0 1.8 3.34 1747 1512 A 29 ARG HDy A 29 ARG HBy 1.0 1.8 3.34 1748 1513 A 30 ILE HA A 29 ARG HBx 1.0 1.8 5.48 1749 1513 A 30 ILE HA A 29 ARG HBy 1.0 1.8 5.48 1750 1514 A 30 ILE HB A 29 ARG HBx 1.0 1.8 5.70 1751 1514 A 30 ILE HB A 29 ARG HBy 1.0 1.8 5.70 1752 1515 A 29 ARG HBy A 30 ILE HG1x 1.0 1.8 5.70 1753 1515 A 29 ARG HBx A 30 ILE HG1x 1.0 1.8 5.70 1754 1515 A 30 ILE HG1y A 29 ARG HBx 1.0 1.8 5.70 1755 1515 A 29 ARG HBy A 30 ILE HG1y 1.0 1.8 5.70 1756 1516 A 37 VAL HG1% A 29 ARG HBx 1.0 1.8 3.50 1757 1516 A 37 VAL HG1% A 29 ARG HBy 1.0 1.8 3.50 1758 1517 A 29 ARG HBx A 41 ILE HG1x 1.0 1.8 5.15 1759 1517 A 29 ARG HBy A 41 ILE HG1x 1.0 1.8 5.15 1760 1517 A 41 ILE HG1y A 29 ARG HBx 1.0 1.8 5.15 1761 1517 A 29 ARG HBy A 41 ILE HG1y 1.0 1.8 5.15 1762 1518 A 30 ILE H A 29 ARG HGx 1.0 1.8 5.09 1763 1518 A 30 ILE H A 29 ARG HGy 1.0 1.8 5.09 1764 1519 A 41 ILE HA A 29 ARG HGx 1.0 1.8 4.60 1765 1519 A 41 ILE HA A 29 ARG HGy 1.0 1.8 4.60 1766 1520 A 30 ILE HA A 30 ILE HG1x 1.0 1.8 3.72 1767 1520 A 30 ILE HA A 30 ILE HG1y 1.0 1.8 3.72 1768 1521 A 30 ILE HB A 40 GLU HGx 1.0 1.8 5.87 1769 1521 A 30 ILE HB A 40 GLU HGy 1.0 1.8 5.87 1770 1522 A 30 ILE HG2% A 30 ILE HG1x 1.0 1.8 3.21 1771 1522 A 30 ILE HG2% A 30 ILE HG1y 1.0 1.8 3.21 1772 1523 A 30 ILE HG2% A 42 LYS HDx 1.0 1.8 4.91 1773 1523 A 30 ILE HG2% A 42 LYS HDy 1.0 1.8 4.91 1774 1524 A 31 GLN H A 30 ILE HG1x 1.0 1.8 4.99 1775 1524 A 31 GLN H A 30 ILE HG1y 1.0 1.8 4.99 1776 1525 A 38 SER HBy A 30 ILE HG1x 1.0 1.8 5.87 1777 1525 A 38 SER HBy A 30 ILE HG1y 1.0 1.8 5.87 1778 1526 A 38 SER HBx A 30 ILE HG1x 1.0 1.8 5.44 1779 1526 A 38 SER HBx A 30 ILE HG1y 1.0 1.8 5.44 1780 1527 A 41 ILE H A 30 ILE HG1x 1.0 1.8 5.04 1781 1527 A 41 ILE H A 30 ILE HG1y 1.0 1.8 5.04 1782 1528 A 41 ILE HA A 30 ILE HG1x 1.0 1.8 4.72 1783 1528 A 41 ILE HA A 30 ILE HG1y 1.0 1.8 4.72 1784 1529 A 42 LYS H A 30 ILE HG1x 1.0 1.8 5.57 1785 1529 A 42 LYS H A 30 ILE HG1y 1.0 1.8 5.57 1786 1530 A 42 LYS HA A 30 ILE HG1x 1.0 1.8 4.38 1787 1530 A 42 LYS HA A 30 ILE HG1y 1.0 1.8 4.38 1788 1531 A 30 ILE HG1x A 42 LYS HBx 1.0 1.8 4.92 1789 1531 A 30 ILE HG1y A 42 LYS HBx 1.0 1.8 4.92 1790 1531 A 42 LYS HBy A 30 ILE HG1x 1.0 1.8 4.92 1791 1531 A 42 LYS HBy A 30 ILE HG1y 1.0 1.8 4.92 1792 1532 A 30 ILE HG1x A 42 LYS HDx 1.0 1.8 3.28 1793 1532 A 30 ILE HG1y A 42 LYS HDx 1.0 1.8 3.28 1794 1532 A 42 LYS HDy A 30 ILE HG1x 1.0 1.8 3.28 1795 1532 A 42 LYS HDy A 30 ILE HG1y 1.0 1.8 3.28 1796 1533 A 30 ILE HD1% A 40 GLU HGx 1.0 1.8 3.89 1797 1533 A 30 ILE HD1% A 40 GLU HGy 1.0 1.8 3.89 1798 1534 A 30 ILE HD1% A 42 LYS HBx 1.0 1.8 5.87 1799 1534 A 30 ILE HD1% A 42 LYS HBy 1.0 1.8 5.87 1800 1535 A 32 ASN HD21 A 32 ASN H 1.0 1.8 4.21 1801 1535 A 32 ASN HD22 A 32 ASN H 1.0 1.8 4.21 1802 1536 A 32 ASN HA A 33 GLU HGx 1.0 1.8 5.87 1803 1536 A 32 ASN HA A 33 GLU HGy 1.0 1.8 5.87 1804 1537 A 32 ASN HD21 A 32 ASN HBy 1.0 1.8 3.44 1805 1537 A 32 ASN HD22 A 32 ASN HBy 1.0 1.8 3.44 1806 1538 A 38 SER HA A 32 ASN HD21 1.0 1.8 4.11 1807 1538 A 32 ASN HD22 A 38 SER HA 1.0 1.8 4.11 1808 1539 A 32 ASN HD21 A 38 SER HBy 1.0 1.8 4.27 1809 1539 A 32 ASN HD22 A 38 SER HBy 1.0 1.8 4.27 1810 1540 A 32 ASN HD21 A 38 SER HBx 1.0 1.8 5.18 1811 1540 A 32 ASN HD22 A 38 SER HBx 1.0 1.8 5.18 1812 1541 A 33 GLU H A 33 GLU HGx 1.0 1.8 4.70 1813 1541 A 33 GLU H A 33 GLU HGy 1.0 1.8 4.70 1814 1542 A 33 GLU HA A 33 GLU HGx 1.0 1.8 4.07 1815 1542 A 33 GLU HA A 33 GLU HGy 1.0 1.8 4.07 1816 1543 A 34 ASP H A 34 ASP HBx 1.0 1.8 3.41 1817 1543 A 34 ASP H A 34 ASP HBy 1.0 1.8 3.41 1818 1544 A 35 GLY H A 34 ASP HBx 1.0 1.8 4.58 1819 1544 A 35 GLY H A 34 ASP HBy 1.0 1.8 4.58 1820 1545 A 36 SER H A 36 SER HBx 1.0 1.8 3.71 1821 1545 A 36 SER H A 36 SER HBy 1.0 1.8 3.71 1822 1546 A 37 VAL H A 36 SER HBx 1.0 1.8 3.37 1823 1546 A 37 VAL H A 36 SER HBy 1.0 1.8 3.37 1824 1547 A 37 VAL HG2% A 36 SER HBx 1.0 1.8 4.26 1825 1547 A 37 VAL HG2% A 36 SER HBy 1.0 1.8 4.26 1826 1548 A 39 ASP H A 39 ASP HBx 1.0 1.8 3.34 1827 1548 A 39 ASP H A 39 ASP HBy 1.0 1.8 3.34 1828 1549 A 40 GLU H A 40 GLU HGx 1.0 1.8 4.04 1829 1549 A 40 GLU H A 40 GLU HGy 1.0 1.8 4.04 1830 1550 A 41 ILE H A 40 GLU HGx 1.0 1.8 4.28 1831 1550 A 41 ILE H A 40 GLU HGy 1.0 1.8 4.28 1832 1551 A 41 ILE H A 41 ILE HG1x 1.0 1.8 3.88 1833 1551 A 41 ILE H A 41 ILE HG1y 1.0 1.8 3.88 1834 1552 A 41 ILE HG2% A 41 ILE HG1x 1.0 1.8 3.22 1835 1552 A 41 ILE HG2% A 41 ILE HG1y 1.0 1.8 3.22 1836 1553 A 41 ILE HG2% A 42 LYS HBx 1.0 1.8 4.81 1837 1553 A 41 ILE HG2% A 42 LYS HBy 1.0 1.8 4.81 1838 1554 A 42 LYS H A 42 LYS HGy 1.0 1.8 4.92 1839 1554 A 42 LYS H A 42 LYS HGx 1.0 1.8 4.92 1840 1555 A 42 LYS HA A 42 LYS HGy 1.0 1.8 3.76 1841 1555 A 42 LYS HA A 42 LYS HGx 1.0 1.8 3.76 1842 1556 A 42 LYS HA A 42 LYS HDx 1.0 1.8 3.74 1843 1556 A 42 LYS HA A 42 LYS HDy 1.0 1.8 3.74 1844 1557 A 42 LYS HBx A 42 LYS HDx 1.0 1.8 2.53 1845 1557 A 42 LYS HBy A 42 LYS HDx 1.0 1.8 2.53 1846 1557 A 42 LYS HDy A 42 LYS HBx 1.0 1.8 2.53 1847 1557 A 42 LYS HBy A 42 LYS HDy 1.0 1.8 2.53 1848 1558 A 42 LYS HBy A 43 GLU HGx 1.0 1.8 4.80 1849 1558 A 42 LYS HBx A 43 GLU HGx 1.0 1.8 4.80 1850 1558 A 43 GLU HGy A 42 LYS HBx 1.0 1.8 4.80 1851 1558 A 42 LYS HBy A 43 GLU HGy 1.0 1.8 4.80 1852 1559 A 43 GLU H A 42 LYS HGy 1.0 1.8 4.46 1853 1559 A 43 GLU H A 42 LYS HGx 1.0 1.8 4.46 1854 1560 A 43 GLU HA A 43 GLU HGx 1.0 1.8 4.10 1855 1560 A 43 GLU HA A 43 GLU HGy 1.0 1.8 4.10 1856 1561 A 62 PRO HA A 43 GLU HBx 1.0 1.8 5.21 1857 1561 A 62 PRO HA A 43 GLU HBy 1.0 1.8 5.21 1858 1562 A 44 ARG H A 43 GLU HGx 1.0 1.8 4.62 1859 1562 A 44 ARG H A 43 GLU HGy 1.0 1.8 4.62 1860 1563 A 44 ARG H A 44 ARG HBx 1.0 1.8 4.07 1861 1563 A 44 ARG H A 44 ARG HBy 1.0 1.8 4.07 1862 1564 A 44 ARG H A 44 ARG HGx 1.0 1.8 4.51 1863 1564 A 44 ARG H A 44 ARG HGy 1.0 1.8 4.51 1864 1565 A 44 ARG H A 61 ILE HG1x 1.0 1.8 5.05 1865 1565 A 44 ARG H A 61 ILE HG1y 1.0 1.8 5.05 1866 1566 A 45 THR H A 44 ARG HBx 1.0 1.8 4.84 1867 1566 A 45 THR H A 44 ARG HBy 1.0 1.8 4.84 1868 1567 A 46 TYR HE% A 44 ARG HBx 1.0 1.8 5.12 1869 1567 A 46 TYR HE% A 44 ARG HBy 1.0 1.8 5.12 1870 1568 A 45 THR H A 44 ARG HGx 1.0 1.8 5.52 1871 1568 A 45 THR H A 44 ARG HGy 1.0 1.8 5.52 1872 1569 A 45 THR HA A 60 SER HBx 1.0 1.8 5.86 1873 1569 A 45 THR HA A 60 SER HBy 1.0 1.8 5.86 1874 1570 A 45 THR HG2% A 58 GLN HBx 1.0 1.8 4.29 1875 1570 A 45 THR HG2% A 58 GLN HBy 1.0 1.8 4.29 1876 1571 A 45 THR HG2% A 58 GLN HGy 1.0 1.8 4.20 1877 1571 A 45 THR HG2% A 58 GLN HGx 1.0 1.8 4.20 1878 1572 A 47 ASP H A 46 TYR HBy 1.0 1.8 4.02 1879 1572 A 47 ASP H A 46 TYR HBx 1.0 1.8 4.02 1880 1573 A 48 LEU HD2% A 46 TYR HBy 1.0 1.8 5.53 1881 1573 A 48 LEU HD2% A 46 TYR HBx 1.0 1.8 5.53 1882 1574 A 105 ILE HD1% A 46 TYR HBy 1.0 1.8 4.86 1883 1574 A 105 ILE HD1% A 46 TYR HBx 1.0 1.8 4.86 1884 1575 A 46 TYR HE% A 61 ILE HG1x 1.0 1.8 4.17 1885 1575 A 46 TYR HE% A 61 ILE HG1y 1.0 1.8 4.17 1886 1576 A 48 LEU H A 57 ILE HG1x 1.0 1.8 5.36 1887 1576 A 48 LEU H A 57 ILE HG1y 1.0 1.8 5.36 1888 1577 A 48 LEU HA A 49 LYS HDx 1.0 1.8 5.17 1889 1577 A 48 LEU HA A 49 LYS HDy 1.0 1.8 5.17 1890 1578 A 49 LYS H A 48 LEU HBx 1.0 1.8 4.26 1891 1578 A 49 LYS H A 48 LEU HBy 1.0 1.8 4.26 1892 1579 A 48 LEU HBy A 57 ILE HG1x 1.0 1.8 4.85 1893 1579 A 48 LEU HBx A 57 ILE HG1x 1.0 1.8 4.85 1894 1579 A 57 ILE HG1y A 48 LEU HBx 1.0 1.8 4.85 1895 1579 A 48 LEU HBy A 57 ILE HG1y 1.0 1.8 4.85 1896 1580 A 57 ILE HD1% A 48 LEU HBx 1.0 1.8 4.89 1897 1580 A 57 ILE HD1% A 48 LEU HBy 1.0 1.8 4.89 1898 1581 A 48 LEU HD2% A 49 LYS HDx 1.0 1.8 5.87 1899 1581 A 48 LEU HD2% A 49 LYS HDy 1.0 1.8 5.87 1900 1582 A 49 LYS H A 49 LYS HBx 1.0 1.8 3.97 1901 1582 A 49 LYS H A 49 LYS HBy 1.0 1.8 3.97 1902 1583 A 49 LYS H A 49 LYS HGy 1.0 1.8 4.57 1903 1583 A 49 LYS H A 49 LYS HGx 1.0 1.8 4.57 1904 1584 A 49 LYS H A 49 LYS HDx 1.0 1.8 4.53 1905 1584 A 49 LYS H A 49 LYS HDy 1.0 1.8 4.53 1906 1585 A 49 LYS HA A 49 LYS HDx 1.0 1.8 4.83 1907 1585 A 49 LYS HA A 49 LYS HDy 1.0 1.8 4.83 1908 1586 A 49 LYS HBy A 49 LYS HDx 1.0 1.8 3.16 1909 1586 A 49 LYS HBx A 49 LYS HDx 1.0 1.8 3.16 1910 1586 A 49 LYS HDy A 49 LYS HBx 1.0 1.8 3.16 1911 1586 A 49 LYS HBy A 49 LYS HDy 1.0 1.8 3.16 1912 1587 A 49 LYS HBy A 49 LYS HEy 1.0 1.8 4.81 1913 1587 A 49 LYS HBx A 49 LYS HEy 1.0 1.8 4.81 1914 1587 A 49 LYS HEx A 49 LYS HBx 1.0 1.8 4.81 1915 1587 A 49 LYS HBy A 49 LYS HEx 1.0 1.8 4.81 1916 1588 A 49 LYS HEy A 49 LYS HGy 1.0 1.8 3.28 1917 1588 A 49 LYS HEx A 49 LYS HGy 1.0 1.8 3.28 1918 1588 A 49 LYS HGx A 49 LYS HEy 1.0 1.8 3.28 1919 1588 A 49 LYS HGx A 49 LYS HEx 1.0 1.8 3.28 1920 1589 A 50 SER H A 50 SER HBx 1.0 1.8 3.99 1921 1589 A 50 SER H A 50 SER HBy 1.0 1.8 3.99 1922 1590 A 51 LYS HA A 51 LYS HGy 1.0 1.8 3.74 1923 1590 A 51 LYS HA A 51 LYS HGx 1.0 1.8 3.74 1924 1591 A 51 LYS HBy A 51 LYS HDx 1.0 1.8 3.36 1925 1591 A 51 LYS HDy A 51 LYS HBx 1.0 1.8 3.36 1926 1591 A 51 LYS HDy A 51 LYS HBy 1.0 1.8 3.36 1927 1591 A 51 LYS HBx A 51 LYS HDx 1.0 1.8 3.36 1928 1592 A 52 GLY H A 51 LYS HBx 1.0 1.8 4.26 1929 1592 A 52 GLY H A 51 LYS HBy 1.0 1.8 4.26 1930 1593 A 51 LYS HEx A 51 LYS HGy 1.0 1.8 3.30 1931 1593 A 51 LYS HEy A 51 LYS HGy 1.0 1.8 3.30 1932 1593 A 51 LYS HGx A 51 LYS HEx 1.0 1.8 3.30 1933 1593 A 51 LYS HEy A 51 LYS HGx 1.0 1.8 3.30 1934 1594 A 52 GLY H A 51 LYS HGy 1.0 1.8 5.31 1935 1594 A 52 GLY H A 51 LYS HGx 1.0 1.8 5.31 1936 1595 A 53 GLN HA A 53 GLN HGy 1.0 1.8 4.02 1937 1595 A 53 GLN HA A 53 GLN HGx 1.0 1.8 4.02 1938 1596 A 53 GLN HBx A 53 GLN HGy 1.0 1.8 2.49 1939 1596 A 53 GLN HBy A 53 GLN HGy 1.0 1.8 2.49 1940 1596 A 53 GLN HGx A 53 GLN HBy 1.0 1.8 2.49 1941 1596 A 53 GLN HGx A 53 GLN HBx 1.0 1.8 2.49 1942 1597 A 55 ARG H A 53 GLN HBy 1.0 1.8 4.30 1943 1597 A 55 ARG H A 53 GLN HBx 1.0 1.8 4.30 1944 1598 A 56 MET H A 55 ARG HBx 1.0 1.8 3.83 1945 1598 A 56 MET H A 55 ARG HBy 1.0 1.8 3.83 1946 1599 A 56 MET H A 55 ARG HGx 1.0 1.8 4.74 1947 1599 A 56 MET H A 55 ARG HGy 1.0 1.8 4.74 1948 1600 A 56 MET H A 56 MET HBx 1.0 1.8 3.52 1949 1600 A 56 MET H A 56 MET HBy 1.0 1.8 3.52 1950 1601 A 56 MET H A 56 MET HGx 1.0 1.8 4.35 1951 1601 A 56 MET H A 56 MET HGy 1.0 1.8 4.35 1952 1602 A 57 ILE H A 56 MET HGx 1.0 1.8 4.83 1953 1602 A 57 ILE H A 56 MET HGy 1.0 1.8 4.83 1954 1603 A 57 ILE HG2% A 57 ILE HG1x 1.0 1.8 3.69 1955 1603 A 57 ILE HG2% A 57 ILE HG1y 1.0 1.8 3.69 1956 1604 A 58 GLN H A 58 GLN HGy 1.0 1.8 5.15 1957 1604 A 58 GLN H A 58 GLN HGx 1.0 1.8 5.15 1958 1605 A 99 TYR HD% A 58 GLN HBx 1.0 1.8 4.27 1959 1605 A 99 TYR HD% A 58 GLN HBy 1.0 1.8 4.27 1960 1606 A 61 ILE H A 60 SER HBx 1.0 1.8 4.52 1961 1606 A 61 ILE H A 60 SER HBy 1.0 1.8 4.52 1962 1607 A 101 LYS HA A 60 SER HBx 1.0 1.8 4.81 1963 1607 A 101 LYS HA A 60 SER HBy 1.0 1.8 4.81 1964 1608 A 61 ILE H A 61 ILE HG1x 1.0 1.8 3.99 1965 1608 A 61 ILE H A 61 ILE HG1y 1.0 1.8 3.99 1966 1609 A 61 ILE HA A 62 PRO HDx 1.0 1.8 3.92 1967 1609 A 61 ILE HA A 62 PRO HDy 1.0 1.8 3.92 1968 1610 A 61 ILE HB A 62 PRO HDx 1.0 1.8 4.13 1969 1610 A 61 ILE HB A 62 PRO HDy 1.0 1.8 4.13 1970 1611 A 61 ILE HG2% A 105 ILE HG1x 1.0 1.8 4.65 1971 1611 A 61 ILE HG2% A 105 ILE HG1y 1.0 1.8 4.65 1972 1612 A 61 ILE HD1% A 68 LYS HEy 1.0 1.8 4.29 1973 1612 A 61 ILE HD1% A 68 LYS HEx 1.0 1.8 4.29 1974 1613 A 63 ALA H A 62 PRO HGy 1.0 1.8 5.53 1975 1613 A 63 ALA H A 62 PRO HGx 1.0 1.8 5.53 1976 1614 A 65 VAL H A 62 PRO HGy 1.0 1.8 5.06 1977 1614 A 65 VAL H A 62 PRO HGx 1.0 1.8 5.06 1978 1615 A 65 VAL HG2% A 62 PRO HDx 1.0 1.8 4.65 1979 1615 A 65 VAL HG2% A 62 PRO HDy 1.0 1.8 4.65 1980 1616 A 64 SER H A 64 SER HBx 1.0 1.8 3.82 1981 1616 A 64 SER H A 64 SER HBy 1.0 1.8 3.82 1982 1617 A 65 VAL HA A 66 PRO HGy 1.0 1.8 4.46 1983 1617 A 65 VAL HA A 66 PRO HGx 1.0 1.8 4.46 1984 1618 A 65 VAL HA A 66 PRO HDx 1.0 1.8 3.64 1985 1618 A 65 VAL HA A 66 PRO HDy 1.0 1.8 3.64 1986 1619 A 65 VAL HG1% A 68 LYS HEy 1.0 1.8 4.41 1987 1619 A 65 VAL HG1% A 68 LYS HEx 1.0 1.8 4.41 1988 1620 A 66 PRO HA A 67 LEU HBx 1.0 1.8 5.19 1989 1620 A 66 PRO HA A 67 LEU HBy 1.0 1.8 5.19 1990 1621 A 67 LEU H A 66 PRO HGy 1.0 1.8 4.84 1991 1621 A 67 LEU H A 66 PRO HGx 1.0 1.8 4.84 1992 1622 A 67 LEU HD1% A 67 LEU HBx 1.0 1.8 3.34 1993 1622 A 67 LEU HD1% A 67 LEU HBy 1.0 1.8 3.34 1994 1623 A 68 LYS H A 67 LEU HBx 1.0 1.8 4.41 1995 1623 A 68 LYS H A 67 LEU HBy 1.0 1.8 4.41 1996 1624 A 68 LYS H A 68 LYS HGy 1.0 1.8 4.33 1997 1624 A 68 LYS H A 68 LYS HGx 1.0 1.8 4.33 1998 1625 A 68 LYS HBx A 68 LYS HEy 1.0 1.8 5.54 1999 1625 A 68 LYS HBx A 68 LYS HEx 1.0 1.8 5.54 2000 1626 A 68 LYS HBx A 70 PHE HBx 1.0 1.8 5.06 2001 1626 A 68 LYS HBx A 70 PHE HBy 1.0 1.8 5.06 2002 1627 A 68 LYS HEx A 68 LYS HGy 1.0 1.8 3.67 2003 1627 A 68 LYS HEy A 68 LYS HGy 1.0 1.8 3.67 2004 1627 A 68 LYS HGx A 68 LYS HEy 1.0 1.8 3.67 2005 1627 A 68 LYS HEx A 68 LYS HGx 1.0 1.8 3.67 2006 1628 A 105 ILE HG2% A 68 LYS HGy 1.0 1.8 3.83 2007 1628 A 105 ILE HG2% A 68 LYS HGx 1.0 1.8 3.83 2008 1629 A 105 ILE H A 68 LYS HEy 1.0 1.8 4.71 2009 1629 A 105 ILE H A 68 LYS HEx 1.0 1.8 4.71 2010 1630 A 105 ILE HB A 68 LYS HEy 1.0 1.8 4.21 2011 1630 A 105 ILE HB A 68 LYS HEx 1.0 1.8 4.21 2012 1631 A 105 ILE HG2% A 68 LYS HEy 1.0 1.8 4.57 2013 1631 A 105 ILE HG2% A 68 LYS HEx 1.0 1.8 4.57 2014 1632 A 68 LYS HEy A 105 ILE HG1x 1.0 1.8 5.56 2015 1632 A 68 LYS HEx A 105 ILE HG1x 1.0 1.8 5.56 2016 1632 A 105 ILE HG1y A 68 LYS HEy 1.0 1.8 5.56 2017 1632 A 105 ILE HG1y A 68 LYS HEx 1.0 1.8 5.56 2018 1633 A 105 ILE HD1% A 68 LYS HEy 1.0 1.8 5.04 2019 1633 A 105 ILE HD1% A 68 LYS HEx 1.0 1.8 5.04 2020 1634 A 70 PHE H A 70 PHE HBx 1.0 1.8 3.59 2021 1634 A 70 PHE H A 70 PHE HBy 1.0 1.8 3.59 2022 1635 A 74 ALA HB% A 70 PHE HBx 1.0 1.8 4.35 2023 1635 A 74 ALA HB% A 70 PHE HBy 1.0 1.8 4.35 2024 1636 A 107 LEU HD2% A 70 PHE HBx 1.0 1.8 5.02 2025 1636 A 107 LEU HD2% A 70 PHE HBy 1.0 1.8 5.02 2026 1637 A 71 ASP H A 71 ASP HBx 1.0 1.8 3.45 2027 1637 A 71 ASP H A 71 ASP HBy 1.0 1.8 3.45 2028 1638 A 72 TYR H A 71 ASP HBx 1.0 1.8 3.67 2029 1638 A 72 TYR H A 71 ASP HBy 1.0 1.8 3.67 2030 1639 A 73 ASN H A 72 TYR HBy 1.0 1.8 4.84 2031 1639 A 73 ASN H A 72 TYR HBx 1.0 1.8 4.84 2032 1640 A 73 ASN HD21 A 73 ASN HBx 1.0 1.8 3.48 2033 1640 A 73 ASN HD21 A 73 ASN HBy 1.0 1.8 3.48 2034 1640 A 73 ASN HD22 A 73 ASN HBx 1.0 1.8 3.48 2035 1640 A 73 ASN HD22 A 73 ASN HBy 1.0 1.8 3.48 2036 1641 A 75 ARG H A 75 ARG HGx 1.0 1.8 3.66 2037 1641 A 75 ARG H A 75 ARG HGy 1.0 1.8 3.66 2038 1642 A 75 ARG H A 75 ARG HDy 1.0 1.8 4.84 2039 1642 A 75 ARG H A 75 ARG HDx 1.0 1.8 4.84 2040 1643 A 75 ARG HA A 75 ARG HGx 1.0 1.8 4.09 2041 1643 A 75 ARG HA A 75 ARG HGy 1.0 1.8 4.09 2042 1644 A 75 ARG HA A 75 ARG HDy 1.0 1.8 4.81 2043 1644 A 75 ARG HA A 75 ARG HDx 1.0 1.8 4.81 2044 1645 A 75 ARG HBy A 75 ARG HDy 1.0 1.8 3.29 2045 1645 A 75 ARG HBx A 75 ARG HDy 1.0 1.8 3.29 2046 1645 A 75 ARG HDx A 75 ARG HBx 1.0 1.8 3.29 2047 1645 A 75 ARG HDx A 75 ARG HBy 1.0 1.8 3.29 2048 1646 A 108 THR H A 75 ARG HBx 1.0 1.8 5.87 2049 1646 A 108 THR H A 75 ARG HBy 1.0 1.8 5.87 2050 1647 A 108 THR HB A 75 ARG HBx 1.0 1.8 4.08 2051 1647 A 108 THR HB A 75 ARG HBy 1.0 1.8 4.08 2052 1648 A 108 THR HB A 75 ARG HGx 1.0 1.8 5.15 2053 1648 A 108 THR HB A 75 ARG HGy 1.0 1.8 5.15 2054 1649 A 76 VAL HG1% A 107 LEU HBx 1.0 1.8 5.87 2055 1649 A 76 VAL HG1% A 107 LEU HBy 1.0 1.8 5.87 2056 1650 A 77 GLU H A 77 GLU HBx 1.0 1.8 3.98 2057 1650 A 77 GLU H A 77 GLU HBy 1.0 1.8 3.98 2058 1651 A 77 GLU H A 77 GLU HGx 1.0 1.8 3.90 2059 1651 A 77 GLU H A 77 GLU HGy 1.0 1.8 3.90 2060 1652 A 77 GLU HA A 77 GLU HGx 1.0 1.8 3.78 2061 1652 A 77 GLU HA A 77 GLU HGy 1.0 1.8 3.78 2062 1653 A 79 ILE HD1% A 77 GLU HBx 1.0 1.8 5.87 2063 1653 A 79 ILE HD1% A 77 GLU HBy 1.0 1.8 5.87 2064 1654 A 106 VAL HG2% A 77 GLU HBx 1.0 1.8 3.97 2065 1654 A 106 VAL HG2% A 77 GLU HBy 1.0 1.8 3.97 2066 1655 A 108 THR HG2% A 77 GLU HBx 1.0 1.8 3.65 2067 1655 A 108 THR HG2% A 77 GLU HBy 1.0 1.8 3.65 2068 1656 A 78 LEU H A 77 GLU HGx 1.0 1.8 4.64 2069 1656 A 78 LEU H A 77 GLU HGy 1.0 1.8 4.64 2070 1657 A 78 LEU HA A 77 GLU HGx 1.0 1.8 5.48 2071 1657 A 78 LEU HA A 77 GLU HGy 1.0 1.8 5.48 2072 1658 A 79 ILE HD1% A 77 GLU HGx 1.0 1.8 4.83 2073 1658 A 79 ILE HD1% A 77 GLU HGy 1.0 1.8 4.83 2074 1659 A 106 VAL H A 77 GLU HGx 1.0 1.8 5.10 2075 1659 A 106 VAL H A 77 GLU HGy 1.0 1.8 5.10 2076 1660 A 106 VAL HG2% A 77 GLU HGx 1.0 1.8 3.89 2077 1660 A 106 VAL HG2% A 77 GLU HGy 1.0 1.8 3.89 2078 1661 A 108 THR HA A 77 GLU HGx 1.0 1.8 4.04 2079 1661 A 108 THR HA A 77 GLU HGy 1.0 1.8 4.04 2080 1662 A 108 THR HG2% A 77 GLU HGx 1.0 1.8 4.08 2081 1662 A 108 THR HG2% A 77 GLU HGy 1.0 1.8 4.08 2082 1663 A 78 LEU H A 78 LEU HBx 1.0 1.8 3.90 2083 1663 A 78 LEU H A 78 LEU HBy 1.0 1.8 3.90 2084 1664 A 78 LEU HD2% A 78 LEU HBx 1.0 1.8 3.72 2085 1664 A 78 LEU HD2% A 78 LEU HBy 1.0 1.8 3.72 2086 1665 A 102 ALA HB% A 78 LEU HBx 1.0 1.8 5.24 2087 1665 A 102 ALA HB% A 78 LEU HBy 1.0 1.8 5.24 2088 1666 A 78 LEU HD2% A 104 ASP HBx 1.0 1.8 5.87 2089 1666 A 78 LEU HD2% A 104 ASP HBy 1.0 1.8 5.87 2090 1667 A 78 LEU HD2% A 105 ILE HG1x 1.0 1.8 4.38 2091 1667 A 78 LEU HD2% A 105 ILE HG1y 1.0 1.8 4.38 2092 1668 A 79 ILE H A 79 ILE HG1x 1.0 1.8 3.85 2093 1668 A 79 ILE H A 79 ILE HG1y 1.0 1.8 3.85 2094 1669 A 79 ILE HG2% A 79 ILE HG1x 1.0 1.8 3.41 2095 1669 A 79 ILE HG2% A 79 ILE HG1y 1.0 1.8 3.41 2096 1670 A 79 ILE HG2% A 80 ASN HBx 1.0 1.8 3.96 2097 1670 A 79 ILE HG2% A 80 ASN HBy 1.0 1.8 3.96 2098 1671 A 79 ILE HG2% A 80 ASN HD21 1.0 1.8 3.79 2099 1671 A 79 ILE HG2% A 80 ASN HD22 1.0 1.8 3.79 2100 1672 A 103 ASP HBx A 79 ILE HG1x 1.0 1.8 4.94 2101 1672 A 103 ASP HBx A 79 ILE HG1y 1.0 1.8 4.94 2102 1673 A 104 ASP H A 79 ILE HG1x 1.0 1.8 5.14 2103 1673 A 104 ASP H A 79 ILE HG1y 1.0 1.8 5.14 2104 1674 A 79 ILE HG1y A 104 ASP HBx 1.0 1.8 4.31 2105 1674 A 79 ILE HG1x A 104 ASP HBx 1.0 1.8 4.31 2106 1674 A 104 ASP HBy A 79 ILE HG1x 1.0 1.8 4.31 2107 1674 A 104 ASP HBy A 79 ILE HG1y 1.0 1.8 4.31 2108 1675 A 106 VAL HG1% A 79 ILE HG1x 1.0 1.8 3.97 2109 1675 A 106 VAL HG1% A 79 ILE HG1y 1.0 1.8 3.97 2110 1676 A 80 ASN HD22 A 80 ASN HBy 1.0 1.8 3.19 2111 1676 A 80 ASN HD21 A 80 ASN HBx 1.0 1.8 3.19 2112 1676 A 80 ASN HD21 A 80 ASN HBy 1.0 1.8 3.19 2113 1676 A 80 ASN HD22 A 80 ASN HBx 1.0 1.8 3.19 2114 1677 A 103 ASP H A 80 ASN HBx 1.0 1.8 4.63 2115 1677 A 103 ASP H A 80 ASN HBy 1.0 1.8 4.63 2116 1678 A 103 ASP HBy A 80 ASN HBx 1.0 1.8 4.72 2117 1678 A 103 ASP HBy A 80 ASN HBy 1.0 1.8 4.72 2118 1679 A 82 ILE HG2% A 82 ILE HG1x 1.0 1.8 3.07 2119 1679 A 82 ILE HG2% A 82 ILE HG1y 1.0 1.8 3.07 2120 1680 A 83 ALA H A 82 ILE HG1x 1.0 1.8 5.12 2121 1680 A 83 ALA H A 82 ILE HG1y 1.0 1.8 5.12 2122 1681 A 82 ILE HG1y A 101 LYS HBx 1.0 1.8 4.64 2123 1681 A 82 ILE HG1x A 101 LYS HBx 1.0 1.8 4.64 2124 1681 A 101 LYS HBy A 82 ILE HG1x 1.0 1.8 4.64 2125 1681 A 82 ILE HG1y A 101 LYS HBy 1.0 1.8 4.64 2126 1682 A 82 ILE HD1% A 84 ASP HBx 1.0 1.8 4.97 2127 1682 A 82 ILE HD1% A 84 ASP HBy 1.0 1.8 4.97 2128 1683 A 82 ILE HD1% A 101 LYS HBx 1.0 1.8 4.15 2129 1683 A 82 ILE HD1% A 101 LYS HBy 1.0 1.8 4.15 2130 1684 A 83 ALA HA A 84 ASP HBx 1.0 1.8 5.87 2131 1684 A 83 ALA HA A 84 ASP HBy 1.0 1.8 5.87 2132 1685 A 86 VAL H A 86 VAL HGx% 1.0 1.8 3.95 2133 1685 A 86 VAL H A 86 VAL HGy% 1.0 1.8 3.95 2134 1686 A 87 ALA HB% A 91 TYR HBy 1.0 1.8 5.87 2135 1686 A 87 ALA HB% A 91 TYR HBx 1.0 1.8 5.87 2136 1687 A 87 ALA HB% A 99 TYR HBy 1.0 1.8 4.97 2137 1687 A 87 ALA HB% A 99 TYR HBx 1.0 1.8 4.97 2138 1688 A 91 TYR H A 91 TYR HBy 1.0 1.8 3.67 2139 1688 A 91 TYR H A 91 TYR HBx 1.0 1.8 3.67 2140 1689 A 92 GLN H A 91 TYR HBy 1.0 1.8 4.23 2141 1689 A 92 GLN H A 91 TYR HBx 1.0 1.8 4.23 2142 1690 A 92 GLN H A 92 GLN HBx 1.0 1.8 3.33 2143 1690 A 92 GLN H A 92 GLN HBy 1.0 1.8 3.33 2144 1691 A 92 GLN HE21 A 92 GLN HGx 1.0 1.8 3.63 2145 1691 A 92 GLN HGy A 92 GLN HE21 1.0 1.8 3.63 2146 1691 A 92 GLN HGy A 92 GLN HE22 1.0 1.8 3.63 2147 1691 A 92 GLN HE22 A 92 GLN HGx 1.0 1.8 3.63 2148 1692 A 94 ALA HB% A 93 GLY HAy 1.0 1.8 5.67 2149 1692 A 94 ALA HB% A 93 GLY HAx 1.0 1.8 5.67 2150 1693 A 95 ASP H A 95 ASP HBx 1.0 1.8 3.76 2151 1693 A 95 ASP H A 95 ASP HBy 1.0 1.8 3.76 2152 1694 A 96 VAL H A 95 ASP HBx 1.0 1.8 4.64 2153 1694 A 96 VAL H A 95 ASP HBy 1.0 1.8 4.64 2154 1695 A 96 VAL HA A 95 ASP HBx 1.0 1.8 5.62 2155 1695 A 96 VAL HA A 95 ASP HBy 1.0 1.8 5.62 2156 1696 A 96 VAL HA A 96 VAL HG1% 1.0 1.8 3.45 2157 1696 A 96 VAL HA A 96 VAL HG2% 1.0 1.8 3.45 2158 1697 A 97 ASP H A 96 VAL HG1% 1.0 1.8 4.04 2159 1697 A 97 ASP H A 96 VAL HG2% 1.0 1.8 4.04 2160 1698 A 100 ILE H A 99 TYR HBy 1.0 1.8 4.46 2161 1698 A 100 ILE H A 99 TYR HBx 1.0 1.8 4.46 2162 1699 A 100 ILE HG2% A 100 ILE HG1x 1.0 1.8 3.53 2163 1699 A 100 ILE HG2% A 100 ILE HG1y 1.0 1.8 3.53 2164 1700 A 101 LYS H A 101 LYS HBx 1.0 1.8 4.07 2165 1700 A 101 LYS H A 101 LYS HBy 1.0 1.8 4.07 2166 1701 A 101 LYS HBy A 101 LYS HDx 1.0 1.8 2.60 2167 1701 A 101 LYS HBx A 101 LYS HDx 1.0 1.8 2.60 2168 1701 A 101 LYS HDy A 101 LYS HBx 1.0 1.8 2.60 2169 1701 A 101 LYS HDy A 101 LYS HBy 1.0 1.8 2.60 2170 1702 A 101 LYS HBy A 101 LYS HEx 1.0 1.8 3.81 2171 1702 A 101 LYS HBx A 101 LYS HEx 1.0 1.8 3.81 2172 1702 A 101 LYS HEy A 101 LYS HBx 1.0 1.8 3.81 2173 1702 A 101 LYS HEy A 101 LYS HBy 1.0 1.8 3.81 2174 1703 A 102 ALA H A 101 LYS HBx 1.0 1.8 3.83 2175 1703 A 102 ALA H A 101 LYS HBy 1.0 1.8 3.83 2176 1704 A 104 ASP H A 105 ILE HG1x 1.0 1.8 5.78 2177 1704 A 104 ASP H A 105 ILE HG1y 1.0 1.8 5.78 2178 1705 A 105 ILE H A 104 ASP HBx 1.0 1.8 4.10 2179 1705 A 105 ILE H A 104 ASP HBy 1.0 1.8 4.10 2180 1706 A 106 VAL HG1% A 104 ASP HBx 1.0 1.8 4.66 2181 1706 A 106 VAL HG1% A 104 ASP HBy 1.0 1.8 4.66 2182 1707 A 105 ILE H A 105 ILE HG1x 1.0 1.8 3.86 2183 1707 A 105 ILE H A 105 ILE HG1y 1.0 1.8 3.86 2184 1708 A 105 ILE HG2% A 105 ILE HG1x 1.0 1.8 3.74 2185 1708 A 105 ILE HG2% A 105 ILE HG1y 1.0 1.8 3.74 2186 1709 A 106 VAL H A 105 ILE HG1x 1.0 1.8 5.27 2187 1709 A 106 VAL H A 105 ILE HG1y 1.0 1.8 5.27 2188 1710 A 107 LEU H A 107 LEU HBx 1.0 1.8 3.50 2189 1710 A 107 LEU H A 107 LEU HBy 1.0 1.8 3.50 2190 1711 A 108 THR H A 107 LEU HBx 1.0 1.8 4.19 2191 1711 A 108 THR H A 107 LEU HBy 1.0 1.8 4.19 2192 1712 A 109 LEU H A 109 LEU HBx 1.0 1.8 3.53 2193 1712 A 109 LEU H A 109 LEU HBy 1.0 1.8 3.53 2194 1713 A 109 LEU HG A 109 LEU HBx 1.0 1.8 2.71 2195 1713 A 109 LEU HG A 109 LEU HBy 1.0 1.8 2.71 2196 1714 A 109 LEU HD1% A 109 LEU HBx 1.0 1.8 3.03 2197 1714 A 109 LEU HD1% A 109 LEU HBy 1.0 1.8 3.03 2198 1715 A 109 LEU HD2% A 109 LEU HBx 1.0 1.8 3.07 2199 1715 A 109 LEU HD2% A 109 LEU HBy 1.0 1.8 3.07 2200 1716 A 110 GLU H A 109 LEU HBx 1.0 1.8 4.36 2201 1716 A 110 GLU H A 109 LEU HBy 1.0 1.8 4.36 2202 1717 A 110 GLU H A 110 GLU HBx 1.0 1.8 3.41 2203 1717 A 110 GLU H A 110 GLU HBy 1.0 1.8 3.41 2204 1718 A 110 GLU H A 110 GLU HGx 1.0 1.8 4.04 2205 1718 A 110 GLU H A 110 GLU HGy 1.0 1.8 4.04 2206 1719 A 110 GLU HBy A 110 GLU HGx 1.0 1.8 2.57 2207 1719 A 110 GLU HBx A 110 GLU HGx 1.0 1.8 2.57 2208 1719 A 110 GLU HGy A 110 GLU HBx 1.0 1.8 2.57 2209 1719 A 110 GLU HBy A 110 GLU HGy 1.0 1.8 2.57 2210 1720 A 78 LEU HA A 105 ILE HA 1.0 1.8 4.40 2211 1721 A 47 ASP HA A 58 GLN HA 1.0 1.8 4.40 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 20 LYS O A 49 LYS N 1.0 2.4 3.3 2 2 A 49 LYS H A 20 LYS O 1.0 1.5 2.3 3 3 A 26 ARG O A 45 THR N 1.0 2.4 3.3 4 4 A 45 THR H A 26 ARG O 1.0 1.5 2.3 5 5 A 44 ARG O A 61 ILE N 1.0 2.4 3.3 6 6 A 61 ILE H A 44 ARG O 1.0 1.5 2.3 7 7 A 46 TYR O A 59 VAL N 1.0 2.4 3.3 8 8 A 59 VAL H A 46 TYR O 1.0 1.5 2.3 9 9 A 48 LEU O A 57 ILE N 1.0 2.4 3.3 10 10 A 57 ILE H A 48 LEU O 1.0 1.5 2.3 11 11 A 49 LYS O A 20 LYS N 1.0 2.4 3.3 12 12 A 20 LYS H A 49 LYS O 1.0 1.5 2.3 13 13 A 57 ILE O A 48 LEU N 1.0 2.4 3.3 14 14 A 48 LEU H A 57 ILE O 1.0 1.5 2.3 15 15 A 58 GLN O A 100 ILE N 1.0 2.4 3.3 16 16 A 100 ILE H A 58 GLN O 1.0 1.5 2.3 17 17 A 59 VAL O A 46 TYR N 1.0 2.4 3.3 18 18 A 46 TYR H A 59 VAL O 1.0 1.5 2.3 19 19 A 60 SER O A 102 ALA N 1.0 2.4 3.3 20 20 A 102 ALA H A 60 SER O 1.0 1.5 2.3 21 21 A 61 ILE O A 44 ARG N 1.0 2.4 3.3 22 22 A 44 ARG H A 61 ILE O 1.0 1.5 2.3 23 23 A 77 GLU O A 106 VAL N 1.0 2.4 3.3 24 24 A 106 VAL H A 77 GLU O 1.0 1.5 2.3 25 25 A 82 ILE O A 101 LYS N 1.0 2.4 3.3 26 26 A 101 LYS H A 82 ILE O 1.0 1.5 2.3 27 27 A 98 TRP O A 58 GLN N 1.0 2.4 3.3 28 28 A 58 GLN H A 98 TRP O 1.0 1.5 2.3 29 29 A 99 TYR O A 84 ASP N 1.0 2.4 3.3 30 30 A 84 ASP H A 99 TYR O 1.0 1.5 2.3 31 31 A 100 ILE O A 60 SER N 1.0 2.4 3.3 32 32 A 60 SER H A 100 ILE O 1.0 1.5 2.3 33 33 A 101 LYS O A 82 ILE N 1.0 2.4 3.3 34 34 A 82 ILE H A 101 LYS O 1.0 1.5 2.3 35 35 A 104 ASP O A 79 ILE N 1.0 2.4 3.3 36 36 A 79 ILE H A 104 ASP O 1.0 1.5 2.3 37 37 A 106 VAL O A 77 GLU N 1.0 2.4 3.3 38 38 A 77 GLU H A 106 VAL O 1.0 1.5 2.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 17 GLY C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -103.54 -43.54 PHI 2 2 A 18 GLU N A 18 GLU CA A 18 GLU C A 19 LEU N 1.0 109.48 169.48 PSI 3 3 A 18 GLU C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -133.86 -73.86 PHI 4 4 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 LYS N 1.0 109.77 169.77 PSI 5 5 A 19 LEU C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -162.69 -102.69 PHI 6 6 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 PHE N 1.0 105.89 165.89 PSI 7 7 A 20 LYS C A 21 PHE N A 21 PHE CA A 21 PHE C 1.0 -111.49 -51.49 PHI 8 8 A 21 PHE N A 21 PHE CA A 21 PHE C A 22 SER N 1.0 101.11 161.11 PSI 9 9 A 23 ALA C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -105.82 -45.82 PHI 10 10 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 ARG N 1.0 100.08 160.08 PSI 11 11 A 25 ARG C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -176.46 -116.46 PHI 12 12 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 GLU N 1.0 124.83 184.83 PSI 13 13 A 26 ARG C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -136.62 -76.62 PHI 14 14 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 VAL N 1.0 99.19 159.19 PSI 15 15 A 31 GLN C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -113.04 -53.04 PHI 16 16 A 32 ASN N A 32 ASN CA A 32 ASN C A 33 GLU N 1.0 116.62 176.62 PSI 17 17 A 32 ASN C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -90.38 -30.38 PHI 18 18 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 ASP N 1.0 -56.18 3.82 PSI 19 19 A 42 LYS C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -188.55 -128.55 PHI 20 20 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 ARG N 1.0 125.36 185.36 PSI 21 21 A 43 GLU C A 44 ARG N A 44 ARG CA A 44 ARG C 1.0 -167.84 -107.84 PHI 22 22 A 44 ARG N A 44 ARG CA A 44 ARG C A 45 THR N 1.0 111.67 171.67 PSI 23 23 A 44 ARG C A 45 THR N A 45 THR CA A 45 THR C 1.0 -134.26 -74.26 PHI 24 24 A 45 THR N A 45 THR CA A 45 THR C A 46 TYR N 1.0 98.96 158.96 PSI 25 25 A 45 THR C A 46 TYR N A 46 TYR CA A 46 TYR C 1.0 -146.66 -86.66 PHI 26 26 A 46 TYR N A 46 TYR CA A 46 TYR C A 47 ASP N 1.0 111.44 171.44 PSI 27 27 A 46 TYR C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -128.45 -68.45 PHI 28 28 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 LEU N 1.0 107.83 167.83 PSI 29 29 A 47 ASP C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -168.81 -108.81 PHI 30 30 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 LYS N 1.0 121.64 181.64 PSI 31 31 A 48 LEU C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -133.59 -73.59 PHI 32 32 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 SER N 1.0 105.11 165.11 PSI 33 33 A 49 LYS C A 50 SER N A 50 SER CA A 50 SER C 1.0 -130.24 -70.24 PHI 34 34 A 50 SER N A 50 SER CA A 50 SER C A 51 LYS N 1.0 105.78 165.78 PSI 35 35 A 52 GLY C A 53 GLN N A 53 GLN CA A 53 GLN C 1.0 -124.45 -64.45 PHI 36 36 A 53 GLN N A 53 GLN CA A 53 GLN C A 54 GLY N 1.0 -31.85 28.15 PSI 37 37 A 53 GLN C A 54 GLY N A 54 GLY CA A 54 GLY C 1.0 44.99 104.99 PHI 38 38 A 54 GLY N A 54 GLY CA A 54 GLY C A 55 ARG N 1.0 -7.82 52.18 PSI 39 39 A 54 GLY C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -139.76 -79.76 PHI 40 40 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 MET N 1.0 119.64 179.64 PSI 41 41 A 56 MET C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -155.65 -95.65 PHI 42 42 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 GLN N 1.0 114.89 174.89 PSI 43 43 A 57 ILE C A 58 GLN N A 58 GLN CA A 58 GLN C 1.0 -148.19 -88.19 PHI 44 44 A 58 GLN N A 58 GLN CA A 58 GLN C A 59 VAL N 1.0 106.28 166.28 PSI 45 45 A 58 GLN C A 59 VAL N A 59 VAL CA A 59 VAL C 1.0 -154.80 -94.80 PHI 46 46 A 59 VAL N A 59 VAL CA A 59 VAL C A 60 SER N 1.0 98.04 158.04 PSI 47 47 A 59 VAL C A 60 SER N A 60 SER CA A 60 SER C 1.0 -149.38 -89.38 PHI 48 48 A 60 SER N A 60 SER CA A 60 SER C A 61 ILE N 1.0 105.77 165.77 PSI 49 49 A 60 SER C A 61 ILE N A 61 ILE CA A 61 ILE C 1.0 -151.33 -91.33 PHI 50 50 A 61 ILE N A 61 ILE CA A 61 ILE C A 62 PRO N 1.0 107.28 167.28 PSI 51 51 A 75 ARG C A 76 VAL N A 76 VAL CA A 76 VAL C 1.0 -168.25 -108.25 PHI 52 52 A 76 VAL N A 76 VAL CA A 76 VAL C A 77 GLU N 1.0 141.06 201.06 PSI 53 53 A 76 VAL C A 77 GLU N A 77 GLU CA A 77 GLU C 1.0 -163.76 -103.76 PHI 54 54 A 77 GLU N A 77 GLU CA A 77 GLU C A 78 LEU N 1.0 119.29 179.29 PSI 55 55 A 81 PRO N A 81 PRO CA A 81 PRO C A 82 ILE N 1.0 129.11 169.11 PSI 56 56 A 81 PRO C A 82 ILE N A 82 ILE CA A 82 ILE C 1.0 -152.35 -92.35 PHI 57 57 A 82 ILE N A 82 ILE CA A 82 ILE C A 83 ALA N 1.0 100.65 160.65 PSI 58 58 A 82 ILE C A 83 ALA N A 83 ALA CA A 83 ALA C 1.0 -125.57 -65.57 PHI 59 59 A 83 ALA N A 83 ALA CA A 83 ALA C A 84 ASP N 1.0 99.71 159.71 PSI 60 60 A 98 TRP C A 99 TYR N A 99 TYR CA A 99 TYR C 1.0 -139.89 -79.89 PHI 61 61 A 99 TYR N A 99 TYR CA A 99 TYR C A 100 ILE N 1.0 100.35 160.35 PSI 62 62 A 99 TYR C A 100 ILE N A 100 ILE CA A 100 ILE C 1.0 -144.94 -84.94 PHI 63 63 A 100 ILE N A 100 ILE CA A 100 ILE C A 101 LYS N 1.0 105.01 165.01 PSI 64 64 A 101 LYS C A 102 ALA N A 102 ALA CA A 102 ALA C 1.0 -160.21 -100.21 PHI 65 65 A 102 ALA N A 102 ALA CA A 102 ALA C A 103 ASP N 1.0 120.99 180.99 PSI 66 66 A 105 ILE C A 106 VAL N A 106 VAL CA A 106 VAL C 1.0 -153.24 -93.24 PHI 67 67 A 106 VAL N A 106 VAL CA A 106 VAL C A 107 LEU N 1.0 120.25 180.25 PSI 68 68 A 21 PHE C A 22 SER N A 22 SER CA A 22 SER C 1.0 -133.68 -73.68 PHI 69 69 A 22 SER N A 22 SER CA A 22 SER C A 23 ALA N 1.0 -62.35 -2.35 PSI 70 70 A 22 SER C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -157.99 -97.99 PHI 71 71 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 LEU N 1.0 125.89 185.89 PSI 72 72 A 41 ILE C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -132.65 -72.65 PHI 73 73 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 GLU N 1.0 -57.33 2.67 PSI 74 74 A 24 LEU N A 24 LEU CA A 24 LEU CB A 24 LEU CG 1.0 160.00 200.00 CHI1 75 75 A 24 LEU CA A 24 LEU CB A 24 LEU CG A 24 LEU CD1 1.0 40.00 80.00 CHI2 76 76 A 25 ARG N A 25 ARG CA A 25 ARG CB A 25 ARG CG 1.0 160.00 200.00 CHI1 77 77 A 25 ARG CA A 25 ARG CB A 25 ARG CG A 25 ARG CD 1.0 40.00 80.00 CHI2 78 78 A 26 ARG N A 26 ARG CA A 26 ARG CB A 26 ARG CG 1.0 160.00 200.00 CHI1 79 79 A 26 ARG CA A 26 ARG CB A 26 ARG CG A 26 ARG CD 1.0 160.00 200.00 CHI2 80 80 A 27 GLU N A 27 GLU CA A 27 GLU CB A 27 GLU CG 1.0 -80.00 -40.00 CHI1 81 81 A 27 GLU CA A 27 GLU CB A 27 GLU CG A 27 GLU CD 1.0 160.00 200.00 CHI2 82 82 A 47 ASP N A 47 ASP CA A 47 ASP CB A 47 ASP CG 1.0 -80.00 -40.00 CHI1 83 83 A 47 ASP CA A 47 ASP CB A 47 ASP CG A 47 ASP OD1 1.0 -50.00 -10.00 CHI2 84 84 A 82 ILE N A 82 ILE CA A 82 ILE CB A 82 ILE CG1 1.0 40.00 80.00 CHI1 85 85 A 82 ILE CA A 82 ILE CB A 82 ILE CG1 A 82 ILE CD1 1.0 160.00 200.00 CHI2 86 86 A 99 TYR N A 99 TYR CA A 99 TYR CB A 99 TYR CG 1.0 -80.00 -40.00 CHI1 87 87 A 99 TYR CA A 99 TYR CB A 99 TYR CG A 99 TYR CD1 1.0 40.00 80.00 CHI2 88 88 A 100 ILE N A 100 ILE CA A 100 ILE CB A 100 ILE CG1 1.0 -80.00 -40.00 CHI1 89 89 A 100 ILE CA A 100 ILE CB A 100 ILE CG1 A 100 ILE CD1 1.0 160.00 200.00 CHI2 90 90 A 101 LYS N A 101 LYS CA A 101 LYS CB A 101 LYS CG 1.0 -80.00 -40.00 CHI1 91 91 A 101 LYS CA A 101 LYS CB A 101 LYS CG A 101 LYS CD 1.0 160.00 200.00 CHI2 92 92 A 104 ASP N A 104 ASP CA A 104 ASP CB A 104 ASP CG 1.0 160.00 200.00 CHI1 93 93 A 104 ASP CA A 104 ASP CB A 104 ASP CG A 104 ASP OD1 1.0 10.00 50.00 CHI2 94 94 A 103 ASP N A 103 ASP CA A 103 ASP CB A 103 ASP CG 1.0 160.00 200.00 CHI1 95 95 A 103 ASP CA A 103 ASP CB A 103 ASP CG A 103 ASP OD1 1.0 10.00 50.00 CHI2 96 96 A 57 ILE N A 57 ILE CA A 57 ILE CB A 57 ILE CG1 1.0 40.00 80.00 CHI1 97 97 A 57 ILE CA A 57 ILE CB A 57 ILE CG1 A 57 ILE CD1 1.0 160.00 200.00 CHI2 98 98 A 105 ILE N A 105 ILE CA A 105 ILE CB A 105 ILE CG1 1.0 -80.00 -40.00 CHI1 99 99 A 105 ILE CA A 105 ILE CB A 105 ILE CG1 A 105 ILE CD1 1.0 160.00 200.00 CHI2 100 100 A 80 ASN C A 81 PRO N A 81 PRO CA A 81 PRO C 1.0 -80.00 -40.00 PHI stop_ save_