data_nef_c19498_2mdp 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 . . . 2 A 2 GLY . . . 3 A 3 ARG . . . 4 A 4 LEU . . . 5 A 5 TYR . . . 6 A 6 SER . . . 7 A 7 GLY . . . 8 A 8 ASN . . . 9 A 9 LEU . . . 10 A 10 ALA . . . 11 A 11 ALA . . . 12 A 12 PHE . . . 13 A 13 LYS . . . 14 A 14 ALA . . . 15 A 15 ALA . . . 16 A 16 THR . . . 17 A 17 ASN . . . 18 A 18 LYS . . . 19 A 19 LEU . . . 20 A 20 PHE . . . 21 A 21 GLN . . . 22 A 22 LEU . . . 23 A 23 ASP . . . 24 A 24 LEU . . . 25 A 25 ALA . . . 26 A 26 VAL . . . 27 A 27 ILE . . . 28 A 28 TYR . . . 29 A 29 ASP . . . 30 A 30 ASP . . . 31 A 31 TRP . . . 32 A 32 TYR . . . 33 A 33 ASP . . . 34 A 34 ALA . . . 35 A 35 TYR . . . 36 A 36 THR . . . 37 A 37 ARG . . . 38 A 38 LYS . . . 39 A 39 ASP . . . 40 A 40 CYS . . . 41 A 41 ILE . . . 42 A 42 ARG . . . 43 A 43 LEU . . . 44 A 44 ARG . . . 45 A 45 ILE . . . 46 A 46 GLU . . . 47 A 47 ASP . . . 48 A 48 ARG . . . 49 A 49 SER . . . 50 A 50 GLY . . . 51 A 51 ASN . . . 52 A 52 LEU . . . 53 A 53 ILE . . . 54 A 54 ASP . . . 55 A 55 THR . . . 56 A 56 SER . . . 57 A 57 THR . . . 58 A 58 PHE . . . 59 A 59 TYR . . . 60 A 60 HIS . . . 61 A 61 HIS . . . 62 A 62 ASP . . . 63 A 63 GLU . . . 64 A 64 ASP . . . 65 A 65 VAL . . . 66 A 66 LEU . . . 67 A 67 PHE . . . 68 A 68 ASN . . . 69 A 69 MET . . . 70 A 70 CYS . . . 71 A 71 THR . . . 72 A 72 ASP . . . 73 A 73 TRP . . . 74 A 74 LEU . . . 75 A 75 ASN . . . 76 A 76 HIS . . . 77 A 77 MET . . . 78 A 78 TYR . . . 79 A 79 ASP . . . 80 A 80 GLN . . . 81 A 81 LEU . . . 82 A 82 LYS . . . 83 A 83 ASP . . . 84 A 84 TRP . . . 85 A 85 LYS . . . 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 HE% H 1 1.944 0.000 A 1 MET CE C 13 17.040 0.000 A 6 SER CA C 13 56.008 0.000 A 7 GLY H H 1 8.432 0.000 A 7 GLY HAy H 1 3.940 0.000 A 7 GLY HAx H 1 3.770 0.000 A 7 GLY CA C 13 46.042 0.000 A 7 GLY N N 15 109.496 0.000 A 8 ASN H H 1 8.367 0.000 A 8 ASN HA H 1 4.685 0.000 A 8 ASN HB2 H 1 2.782 0.000 A 8 ASN HB3 H 1 2.782 0.000 A 8 ASN CA C 13 53.922 0.000 A 8 ASN CB C 13 37.970 0.000 A 8 ASN N N 15 119.432 0.000 A 9 LEU H H 1 7.922 0.000 A 9 LEU HA H 1 3.984 0.000 A 9 LEU HB2 H 1 1.624 0.000 A 9 LEU HB3 H 1 1.624 0.000 A 9 LEU HDx% H 1 0.544 0.000 A 9 LEU HDy% H 1 0.419 0.000 A 9 LEU HG H 1 1.359 0.000 A 9 LEU CA C 13 56.417 0.000 A 9 LEU CB C 13 41.566 0.000 A 9 LEU CDx C 13 24.053 0.000 A 9 LEU CDy C 13 24.081 0.000 A 9 LEU CG C 13 27.051 0.000 A 9 LEU N N 15 123.537 0.000 A 10 ALA H H 1 8.064 0.000 A 10 ALA HA H 1 4.127 0.000 A 10 ALA HB% H 1 1.416 0.000 A 10 ALA CA C 13 55.912 0.000 A 10 ALA CB C 13 17.998 0.000 A 10 ALA N N 15 122.287 0.000 A 11 ALA H H 1 8.143 0.000 A 11 ALA HA H 1 4.207 0.000 A 11 ALA HB% H 1 1.505 0.000 A 11 ALA CA C 13 54.960 0.000 A 11 ALA CB C 13 17.998 0.000 A 11 ALA N N 15 121.326 0.000 A 12 PHE H H 1 7.779 0.000 A 12 PHE HA H 1 4.411 0.000 A 12 PHE HB2 H 1 3.107 0.000 A 12 PHE HB3 H 1 3.107 0.000 A 12 PHE HDx H 1 7.017 0.000 A 12 PHE HDy H 1 7.017 0.000 A 12 PHE HEx H 1 6.932 0.000 A 12 PHE HEy H 1 6.932 0.000 A 12 PHE CA C 13 61.007 0.000 A 12 PHE CB C 13 39.499 0.000 A 12 PHE CDx C 13 130.571 0.000 A 12 PHE CDy C 13 130.571 0.000 A 12 PHE CEx C 13 130.522 0.000 A 12 PHE CEy C 13 130.522 0.000 A 12 PHE N N 15 122.913 0.000 A 13 LYS H H 1 8.614 0.000 A 13 LYS HA H 1 3.861 0.000 A 13 LYS HB2 H 1 1.885 0.000 A 13 LYS HB3 H 1 1.885 0.000 A 13 LYS HD2 H 1 1.697 0.000 A 13 LYS HD3 H 1 1.697 0.000 A 13 LYS HE2 H 1 2.929 0.000 A 13 LYS HE3 H 1 2.929 0.000 A 13 LYS HG2 H 1 1.416 0.000 A 13 LYS HG3 H 1 1.416 0.000 A 13 LYS CA C 13 59.099 0.000 A 13 LYS CB C 13 31.867 0.000 A 13 LYS CD C 13 28.960 0.000 A 13 LYS CE C 13 42.000 0.000 A 13 LYS CG C 13 25.477 0.000 A 13 LYS N N 15 120.689 0.000 A 14 ALA H H 1 8.178 0.000 A 14 ALA HA H 1 3.182 0.000 A 14 ALA HB% H 1 1.501 0.000 A 14 ALA CA C 13 55.108 0.000 A 14 ALA CB C 13 18.120 0.000 A 14 ALA N N 15 122.076 0.000 A 15 ALA H H 1 7.793 0.000 A 15 ALA HA H 1 4.040 0.000 A 15 ALA HB% H 1 1.440 0.000 A 15 ALA CA C 13 55.158 0.000 A 15 ALA CB C 13 19.042 0.000 A 15 ALA N N 15 121.714 0.000 A 16 THR H H 1 8.133 0.000 A 16 THR HA H 1 3.705 0.000 A 16 THR HB H 1 4.111 0.000 A 16 THR HG2% H 1 0.904 0.000 A 16 THR CA C 13 66.762 0.000 A 16 THR CB C 13 68.213 0.000 A 16 THR CG2 C 13 22.188 0.000 A 16 THR N N 15 111.959 0.000 A 17 ASN H H 1 8.152 0.000 A 17 ASN HA H 1 4.520 0.000 A 17 ASN HB2 H 1 2.833 0.000 A 17 ASN HB3 H 1 2.833 0.000 A 17 ASN CA C 13 56.191 0.000 A 17 ASN CB C 13 38.365 0.000 A 17 ASN N N 15 121.090 0.000 A 18 LYS H H 1 7.568 0.000 A 18 LYS HA H 1 3.914 0.000 A 18 LYS HB2 H 1 1.416 0.000 A 18 LYS HB3 H 1 1.416 0.000 A 18 LYS HD2 H 1 1.416 0.000 A 18 LYS HD3 H 1 1.416 0.000 A 18 LYS HE3 H 1 2.293 0.000 A 18 LYS HG2 H 1 1.177 0.000 A 18 LYS HG3 H 1 1.177 0.000 A 18 LYS CA C 13 59.865 0.000 A 18 LYS CB C 13 30.999 0.000 A 18 LYS N N 15 119.978 0.000 A 19 LEU H H 1 7.001 0.000 A 19 LEU HA H 1 4.135 0.000 A 19 LEU HB2 H 1 1.846 0.000 A 19 LEU HB3 H 1 1.846 0.000 A 19 LEU HD11 H 1 0.833 0.000 A 19 LEU HD12 H 1 1.475 0.000 A 19 LEU HD13 H 1 1.475 0.000 A 19 LEU HD21 H 1 0.839 0.000 A 19 LEU HD22 H 1 0.848 0.000 A 19 LEU HD23 H 1 0.848 0.000 A 19 LEU HG H 1 0.848 0.000 A 19 LEU CA C 13 58.001 0.000 A 19 LEU CB C 13 40.823 0.000 A 19 LEU CD1 C 13 24.370 0.000 A 19 LEU CD2 C 13 27.620 0.000 A 19 LEU CG C 13 27.499 0.000 A 19 LEU N N 15 117.558 0.000 A 20 PHE H H 1 8.193 0.000 A 20 PHE HA H 1 4.873 0.000 A 20 PHE HB2 H 1 3.424 0.000 A 20 PHE HB3 H 1 3.424 0.000 A 20 PHE HDx H 1 7.418 0.000 A 20 PHE HDy H 1 7.418 0.000 A 20 PHE HEx H 1 7.402 0.000 A 20 PHE HEy H 1 7.402 0.000 A 20 PHE CA C 13 60.375 0.000 A 20 PHE CB C 13 38.480 0.000 A 20 PHE CDx C 13 131.103 0.000 A 20 PHE CDy C 13 131.103 0.000 A 20 PHE CEx C 13 129.087 0.000 A 20 PHE CEy C 13 129.087 0.000 A 20 PHE N N 15 121.123 0.000 A 21 GLN H H 1 7.918 0.000 A 21 GLN HA H 1 4.208 0.000 A 21 GLN HBx H 1 2.381 0.000 A 21 GLN HBy H 1 2.472 0.000 A 21 GLN HG2 H 1 2.751 0.000 A 21 GLN HG3 H 1 2.751 0.000 A 21 GLN CA C 13 58.055 0.000 A 21 GLN CB C 13 28.284 0.000 A 21 GLN CG C 13 34.251 0.000 A 21 GLN N N 15 118.591 0.000 A 22 LEU H H 1 7.561 0.000 A 22 LEU HA H 1 4.534 0.000 A 22 LEU HBx H 1 1.781 0.000 A 22 LEU HBy H 1 2.051 0.000 A 22 LEU HDx% H 1 0.757 0.000 A 22 LEU HDy% H 1 0.901 0.000 A 22 LEU HG H 1 2.034 0.000 A 22 LEU CA C 13 54.033 0.000 A 22 LEU CB C 13 41.469 0.000 A 22 LEU CDx C 13 21.992 0.000 A 22 LEU CDy C 13 25.943 0.000 A 22 LEU CG C 13 26.353 0.000 A 22 LEU N N 15 118.477 0.000 A 23 ASP H H 1 8.163 0.000 A 23 ASP HA H 1 4.280 0.000 A 23 ASP HBx H 1 2.942 0.000 A 23 ASP HBy H 1 3.072 0.000 A 23 ASP CA C 13 55.494 0.000 A 23 ASP CB C 13 39.317 0.000 A 23 ASP N N 15 115.410 0.000 A 24 LEU H H 1 7.136 0.000 A 24 LEU HA H 1 4.790 0.000 A 24 LEU HBx H 1 1.107 0.000 A 24 LEU HBy H 1 1.480 0.000 A 24 LEU HDx% H 1 0.602 0.000 A 24 LEU HDy% H 1 1.085 0.000 A 24 LEU HG H 1 1.502 0.000 A 24 LEU CA C 13 53.030 0.000 A 24 LEU CB C 13 43.867 0.000 A 24 LEU CDy C 13 27.442 0.000 A 24 LEU CDx C 13 22.503 0.000 A 24 LEU CG C 13 27.434 0.000 A 24 LEU N N 15 116.367 0.000 A 25 ALA H H 1 8.931 0.000 A 25 ALA HA H 1 4.480 0.000 A 25 ALA HB% H 1 1.298 0.000 A 25 ALA CA C 13 50.890 0.000 A 25 ALA CB C 13 21.655 0.000 A 25 ALA N N 15 123.243 0.000 A 26 VAL H H 1 7.575 0.000 A 26 VAL HA H 1 4.889 0.000 A 26 VAL HB H 1 2.053 0.000 A 26 VAL HGx% H 1 0.926 0.000 A 26 VAL HGy% H 1 0.988 0.000 A 26 VAL CA C 13 61.278 0.000 A 26 VAL CB C 13 33.310 0.000 A 26 VAL CGy C 13 22.777 0.000 A 26 VAL CGx C 13 21.810 0.000 A 26 VAL N N 15 119.587 0.000 A 27 ILE H H 1 9.437 0.000 A 27 ILE HA H 1 4.489 0.000 A 27 ILE HB H 1 1.795 0.000 A 27 ILE HD1% H 1 0.747 0.000 A 27 ILE HG1y H 1 1.363 0.000 A 27 ILE HG1x H 1 1.264 0.000 A 27 ILE HG2% H 1 0.946 0.000 A 27 ILE CA C 13 60.177 0.000 A 27 ILE CB C 13 40.019 0.000 A 27 ILE CD1 C 13 13.081 0.000 A 27 ILE CG1 C 13 28.203 0.000 A 27 ILE CG2 C 13 18.620 0.000 A 27 ILE N N 15 130.377 0.000 A 28 TYR H H 1 8.531 0.000 A 28 TYR HA H 1 5.709 0.000 A 28 TYR HB2 H 1 3.008 0.000 A 28 TYR HB3 H 1 3.008 0.000 A 28 TYR HDx H 1 6.987 0.000 A 28 TYR HDy H 1 6.987 0.000 A 28 TYR HEx H 1 6.556 0.000 A 28 TYR HEy H 1 6.556 0.000 A 28 TYR CA C 13 55.486 0.000 A 28 TYR CB C 13 42.019 0.000 A 28 TYR CDx C 13 132.863 0.000 A 28 TYR CDy C 13 132.863 0.000 A 28 TYR CEx C 13 116.816 0.000 A 28 TYR CEy C 13 116.816 0.000 A 28 TYR N N 15 126.844 0.000 A 29 ASP H H 1 8.614 0.000 A 29 ASP HA H 1 4.966 0.000 A 29 ASP HBx H 1 2.673 0.000 A 29 ASP HBy H 1 2.790 0.000 A 29 ASP CA C 13 53.659 0.000 A 29 ASP CB C 13 44.660 0.000 A 29 ASP N N 15 122.875 0.000 A 30 ASP H H 1 8.607 0.000 A 30 ASP HA H 1 5.447 0.000 A 30 ASP HBy H 1 2.775 0.000 A 30 ASP HBx H 1 2.628 0.000 A 30 ASP CA C 13 53.501 0.000 A 30 ASP CB C 13 43.921 0.000 A 30 ASP N N 15 119.325 0.000 A 31 TRP H H 1 8.673 0.000 A 31 TRP HA H 1 4.615 0.000 A 31 TRP HB2 H 1 3.130 0.000 A 31 TRP HB3 H 1 3.130 0.000 A 31 TRP HD1 H 1 6.932 0.000 A 31 TRP HE1 H 1 10.243 0.000 A 31 TRP HE3 H 1 7.176 0.000 A 31 TRP HH2 H 1 6.940 0.000 A 31 TRP HZ2 H 1 7.386 0.000 A 31 TRP HZ3 H 1 6.750 0.000 A 31 TRP CA C 13 58.000 0.000 A 31 TRP CB C 13 31.500 0.000 A 31 TRP CD1 C 13 126.474 0.000 A 31 TRP CE3 C 13 120.838 0.000 A 31 TRP CH2 C 13 123.344 0.000 A 31 TRP CZ2 C 13 113.860 0.000 A 31 TRP CZ3 C 13 120.822 0.000 A 31 TRP N N 15 120.552 0.000 A 31 TRP NE1 N 15 130.780 0.000 A 32 TYR CA C 13 52.400 0.000 A 32 TYR CB C 13 42.350 0.000 A 33 ASP CA C 13 52.400 0.000 A 33 ASP CB C 13 42.350 0.000 A 34 ALA H H 1 8.424 0.000 A 34 ALA HA H 1 3.845 0.000 A 34 ALA HB% H 1 1.393 0.000 A 34 ALA CA C 13 53.690 0.000 A 34 ALA CB C 13 18.610 0.000 A 34 ALA N N 15 126.709 0.000 A 35 TYR H H 1 8.334 0.000 A 35 TYR HA H 1 4.350 0.000 A 35 TYR HB2 H 1 3.166 0.000 A 35 TYR HB3 H 1 3.166 0.000 A 35 TYR HDx H 1 7.181 0.000 A 35 TYR HDy H 1 7.181 0.000 A 35 TYR HEx H 1 6.829 0.000 A 35 TYR HEy H 1 6.829 0.000 A 35 TYR CA C 13 60.466 0.000 A 35 TYR CB C 13 38.113 0.000 A 35 TYR CDx C 13 132.539 0.000 A 35 TYR CDy C 13 132.539 0.000 A 35 TYR CEx C 13 117.676 0.000 A 35 TYR CEy C 13 117.676 0.000 A 35 TYR N N 15 117.123 0.000 A 36 THR H H 1 7.563 0.000 A 36 THR HA H 1 4.018 0.000 A 36 THR HB H 1 4.036 0.000 A 36 THR HG2% H 1 1.111 0.000 A 36 THR CA C 13 61.809 0.000 A 36 THR CB C 13 69.926 0.000 A 36 THR CG2 C 13 22.108 0.000 A 36 THR N N 15 108.046 0.000 A 37 ARG H H 1 7.952 0.000 A 37 ARG CA C 13 57.001 0.000 A 37 ARG N N 15 118.456 0.000 A 40 CYS CA C 13 56.316 0.000 A 40 CYS CB C 13 29.999 0.000 A 41 ILE H H 1 8.459 0.000 A 41 ILE HA H 1 4.709 0.000 A 41 ILE HB H 1 1.347 0.000 A 41 ILE HD1% H 1 0.371 0.000 A 41 ILE HG1x H 1 1.273 0.000 A 41 ILE HG1y H 1 1.359 0.000 A 41 ILE HG2% H 1 0.709 0.000 A 41 ILE CA C 13 60.462 0.000 A 41 ILE CB C 13 42.309 0.000 A 41 ILE CD1 C 13 13.861 0.000 A 41 ILE CG1 C 13 28.290 0.000 A 41 ILE CG2 C 13 17.931 0.000 A 41 ILE N N 15 121.419 0.000 A 42 ARG H H 1 9.004 0.000 A 42 ARG HB2 H 1 2.067 0.000 A 42 ARG HB3 H 1 2.067 0.000 A 42 ARG HD2 H 1 3.021 0.000 A 42 ARG HD3 H 1 3.021 0.000 A 42 ARG HG2 H 1 1.306 0.000 A 42 ARG HG3 H 1 1.306 0.000 A 42 ARG CA C 13 54.501 0.000 A 42 ARG CB C 13 33.204 0.000 A 42 ARG CG C 13 26.420 0.000 A 42 ARG N N 15 127.916 0.000 A 43 LEU H H 1 8.757 0.000 A 43 LEU HA H 1 5.538 0.000 A 43 LEU HBx H 1 1.465 0.000 A 43 LEU HBy H 1 1.829 0.000 A 43 LEU HDx% H 1 1.134 0.000 A 43 LEU HDy% H 1 1.146 0.000 A 43 LEU HG H 1 1.771 0.000 A 43 LEU CA C 13 53.266 0.000 A 43 LEU CB C 13 46.163 0.000 A 43 LEU CDy C 13 27.312 0.000 A 43 LEU CDx C 13 25.572 0.000 A 43 LEU CG C 13 27.175 0.000 A 43 LEU N N 15 124.715 0.000 A 44 ARG H H 1 9.366 0.000 A 44 ARG HA H 1 5.004 0.000 A 44 ARG HB2 H 1 1.809 0.000 A 44 ARG HB3 H 1 1.809 0.000 A 44 ARG HDx H 1 3.012 0.000 A 44 ARG HDy H 1 3.263 0.000 A 44 ARG HG2 H 1 1.509 0.000 A 44 ARG HG3 H 1 1.509 0.000 A 44 ARG CA C 13 55.508 0.000 A 44 ARG CB C 13 34.543 0.000 A 44 ARG CD C 13 44.000 0.000 A 44 ARG CG C 13 28.069 0.000 A 44 ARG N N 15 123.499 0.000 A 45 ILE H H 1 8.938 0.000 A 45 ILE HA H 1 5.260 0.000 A 45 ILE HB H 1 1.622 0.000 A 45 ILE HD1% H 1 0.558 0.000 A 45 ILE HG1x H 1 1.019 0.000 A 45 ILE HG1y H 1 1.768 0.000 A 45 ILE HG2% H 1 0.766 0.000 A 45 ILE CA C 13 59.933 0.000 A 45 ILE CB C 13 39.751 0.000 A 45 ILE CD1 C 13 15.236 0.000 A 45 ILE CG1 C 13 27.655 0.000 A 45 ILE CG2 C 13 18.671 0.000 A 45 ILE N N 15 122.919 0.000 A 46 GLU H H 1 9.097 0.000 A 46 GLU HA H 1 5.465 0.000 A 46 GLU HB2 H 1 2.057 0.000 A 46 GLU HB3 H 1 2.057 0.000 A 46 GLU CA C 13 53.707 0.000 A 46 GLU CB C 13 35.276 0.000 A 46 GLU N N 15 126.745 0.000 A 47 ASP H H 1 8.209 0.000 A 47 ASP HA H 1 4.976 0.000 A 47 ASP HBx H 1 2.596 0.000 A 47 ASP HBy H 1 3.697 0.000 A 47 ASP CA C 13 52.411 0.000 A 47 ASP CB C 13 41.609 0.000 A 47 ASP N N 15 117.988 0.000 A 48 ARG H H 1 8.872 0.000 A 48 ARG HA H 1 4.129 0.000 A 48 ARG HB2 H 1 1.979 0.000 A 48 ARG HB3 H 1 1.979 0.000 A 48 ARG HD2 H 1 3.200 0.000 A 48 ARG HD3 H 1 3.200 0.000 A 48 ARG HG2 H 1 1.783 0.000 A 48 ARG HG3 H 1 1.783 0.000 A 48 ARG CA C 13 58.323 0.000 A 48 ARG CB C 13 29.511 0.000 A 48 ARG CD C 13 43.175 0.000 A 48 ARG CG C 13 27.076 0.000 A 48 ARG N N 15 117.098 0.000 A 49 SER H H 1 8.142 0.000 A 49 SER HA H 1 4.614 0.000 A 49 SER HBx H 1 3.878 0.000 A 49 SER HBy H 1 4.040 0.000 A 49 SER CA C 13 58.411 0.000 A 49 SER CB C 13 63.806 0.000 A 49 SER N N 15 115.006 0.000 A 50 GLY H H 1 8.035 0.000 A 50 GLY HAx H 1 3.742 0.000 A 50 GLY HAy H 1 4.191 0.000 A 50 GLY CA C 13 44.997 0.000 A 50 GLY N N 15 109.042 0.000 A 51 ASN H H 1 8.613 0.000 A 51 ASN HA H 1 4.546 0.000 A 51 ASN HBx H 1 2.520 0.000 A 51 ASN HBy H 1 2.818 0.000 A 51 ASN CA C 13 53.419 0.000 A 51 ASN CB C 13 38.422 0.000 A 51 ASN N N 15 119.842 0.000 A 52 LEU H H 1 8.631 0.000 A 52 LEU HA H 1 4.142 0.000 A 52 LEU HBx H 1 1.497 0.000 A 52 LEU HBy H 1 1.868 0.000 A 52 LEU HG H 1 1.958 0.000 A 52 LEU CA C 13 56.023 0.000 A 52 LEU CB C 13 42.353 0.000 A 52 LEU CG C 13 26.459 0.000 A 52 LEU N N 15 124.085 0.000 A 53 ILE H H 1 9.432 0.000 A 53 ILE HA H 1 4.137 0.000 A 53 ILE HB H 1 1.595 0.000 A 53 ILE HD1% H 1 0.589 0.000 A 53 ILE HG1x H 1 1.260 0.000 A 53 ILE HG1y H 1 1.311 0.000 A 53 ILE HG2% H 1 0.734 0.000 A 53 ILE CA C 13 61.800 0.000 A 53 ILE CB C 13 37.256 0.000 A 53 ILE CD1 C 13 11.238 0.000 A 53 ILE CG1 C 13 27.518 0.000 A 53 ILE CG2 C 13 17.274 0.000 A 53 ILE N N 15 129.362 0.000 A 54 ASP H H 1 7.761 0.000 A 54 ASP HA H 1 4.847 0.000 A 54 ASP HBx H 1 2.660 0.000 A 54 ASP HBy H 1 2.770 0.000 A 54 ASP CA C 13 53.586 0.000 A 54 ASP CB C 13 44.500 0.000 A 54 ASP N N 15 113.575 0.000 A 55 THR H H 1 10.106 0.000 A 55 THR HA H 1 5.427 0.000 A 55 THR HB H 1 4.287 0.000 A 55 THR HG2% H 1 1.169 0.000 A 55 THR CA C 13 59.185 0.000 A 55 THR CB C 13 70.551 0.000 A 55 THR CG2 C 13 18.358 0.000 A 55 THR N N 15 115.783 0.000 A 56 SER H H 1 7.872 0.000 A 56 SER HA H 1 4.135 0.000 A 56 SER HBx H 1 1.956 0.000 A 56 SER HBy H 1 2.535 0.000 A 56 SER CA C 13 58.001 0.000 A 56 SER CB C 13 65.039 0.000 A 56 SER N N 15 119.808 0.000 A 57 THR H H 1 7.524 0.000 A 57 THR HA H 1 4.964 0.000 A 57 THR HB H 1 3.676 0.000 A 57 THR HG2% H 1 0.840 0.000 A 57 THR CA C 13 61.001 0.000 A 57 THR CB C 13 70.881 0.000 A 57 THR CG2 C 13 21.615 0.000 A 57 THR N N 15 117.962 0.000 A 58 PHE H H 1 8.861 0.000 A 58 PHE HA H 1 4.603 0.000 A 58 PHE HBy H 1 2.896 0.000 A 58 PHE HBx H 1 2.374 0.000 A 58 PHE HDx H 1 7.040 0.000 A 58 PHE HDy H 1 7.040 0.000 A 58 PHE HEx H 1 6.786 0.000 A 58 PHE HEy H 1 6.786 0.000 A 58 PHE CA C 13 56.648 0.000 A 58 PHE CB C 13 43.583 0.000 A 58 PHE CDx C 13 132.526 0.000 A 58 PHE CDy C 13 132.526 0.000 A 58 PHE CEx C 13 129.960 0.000 A 58 PHE CEy C 13 129.960 0.000 A 58 PHE N N 15 123.853 0.000 A 59 TYR H H 1 8.328 0.000 A 59 TYR HA H 1 5.328 0.000 A 59 TYR HBx H 1 2.720 0.000 A 59 TYR HBy H 1 2.820 0.000 A 59 TYR HDx H 1 6.960 0.000 A 59 TYR HDy H 1 6.960 0.000 A 59 TYR HEx H 1 6.686 0.000 A 59 TYR HEy H 1 6.686 0.000 A 59 TYR CA C 13 56.221 0.000 A 59 TYR CB C 13 42.106 0.000 A 59 TYR CDx C 13 133.620 0.000 A 59 TYR CDy C 13 133.620 0.000 A 59 TYR CEx C 13 117.399 0.000 A 59 TYR CEy C 13 117.399 0.000 A 59 TYR N N 15 117.898 0.000 A 60 HIS HD2 H 1 7.149 0.000 A 60 HIS CA C 13 60.065 0.000 A 60 HIS CB C 13 34.284 0.000 A 60 HIS CD2 C 13 117.250 0.000 A 61 HIS H H 1 7.734 0.000 A 61 HIS HD2 H 1 7.247 0.000 A 61 HIS CA C 13 58.001 0.000 A 61 HIS CB C 13 29.999 0.000 A 61 HIS CD2 C 13 119.761 0.000 A 61 HIS N N 15 121.880 0.000 A 62 ASP HA H 1 4.870 0.000 A 62 ASP HBx H 1 2.516 0.000 A 62 ASP HBy H 1 2.517 0.000 A 62 ASP CA C 13 53.348 0.000 A 62 ASP CB C 13 42.600 0.000 A 62 ASP N N 15 128.148 0.000 A 63 GLU H H 1 8.982 0.000 A 63 GLU HA H 1 3.795 0.000 A 63 GLU HBx H 1 2.113 0.000 A 63 GLU HBy H 1 2.206 0.000 A 63 GLU HG2 H 1 2.295 0.000 A 63 GLU HG3 H 1 2.295 0.000 A 63 GLU CA C 13 59.863 0.000 A 63 GLU CB C 13 34.007 0.000 A 63 GLU CG C 13 36.622 0.000 A 63 GLU N N 15 126.564 0.000 A 64 ASP H H 1 8.272 0.000 A 64 ASP HA H 1 4.401 0.000 A 64 ASP HBy H 1 2.780 0.000 A 64 ASP HBx H 1 2.646 0.000 A 64 ASP CA C 13 57.664 0.000 A 64 ASP CB C 13 40.369 0.000 A 64 ASP N N 15 117.779 0.000 A 65 VAL H H 1 7.335 0.000 A 65 VAL HA H 1 3.386 0.000 A 65 VAL HB H 1 1.334 0.000 A 65 VAL HGx% H 1 0.300 0.000 A 65 VAL HGy% H 1 0.757 0.000 A 65 VAL CA C 13 65.913 0.000 A 65 VAL CB C 13 31.465 0.000 A 65 VAL CGx C 13 20.656 0.000 A 65 VAL CGy C 13 21.992 0.000 A 65 VAL N N 15 121.948 0.000 A 66 LEU H H 1 8.164 0.000 A 66 LEU HA H 1 3.905 0.000 A 66 LEU HBx H 1 1.368 0.000 A 66 LEU HBy H 1 1.883 0.000 A 66 LEU HDx% H 1 0.649 0.000 A 66 LEU HDy% H 1 0.589 0.000 A 66 LEU HG H 1 1.411 0.000 A 66 LEU CA C 13 58.076 0.000 A 66 LEU CB C 13 42.160 0.000 A 66 LEU CDx C 13 23.668 0.000 A 66 LEU CDy C 13 26.334 0.000 A 66 LEU CG C 13 26.916 0.000 A 66 LEU N N 15 120.747 0.000 A 67 PHE H H 1 8.350 0.000 A 67 PHE HA H 1 3.900 0.000 A 67 PHE HB2 H 1 2.892 0.000 A 67 PHE HB3 H 1 2.892 0.000 A 67 PHE HDx H 1 6.805 0.000 A 67 PHE HDy H 1 6.805 0.000 A 67 PHE HEx H 1 6.670 0.000 A 67 PHE HEy H 1 6.670 0.000 A 67 PHE CA C 13 62.849 0.000 A 67 PHE CB C 13 38.003 0.000 A 67 PHE CDx C 13 129.229 0.000 A 67 PHE CDy C 13 129.229 0.000 A 67 PHE CEx C 13 128.054 0.000 A 67 PHE CEy C 13 128.054 0.000 A 67 PHE N N 15 116.553 0.000 A 68 ASN H H 1 8.001 0.000 A 68 ASN HA H 1 4.415 0.000 A 68 ASN HB2 H 1 2.914 0.000 A 68 ASN HB3 H 1 2.914 0.000 A 68 ASN CA C 13 56.725 0.000 A 68 ASN CB C 13 38.071 0.000 A 68 ASN N N 15 121.020 0.000 A 69 MET H H 1 8.465 0.000 A 69 MET HA H 1 4.011 0.000 A 69 MET HB2 H 1 2.585 0.000 A 69 MET HB3 H 1 2.585 0.000 A 69 MET HE% H 1 2.285 0.000 A 69 MET HGx H 1 2.493 0.000 A 69 MET HGy H 1 2.740 0.000 A 69 MET CA C 13 59.605 0.000 A 69 MET CB C 13 31.867 0.000 A 69 MET CE C 13 17.077 0.000 A 69 MET CG C 13 31.630 0.000 A 69 MET N N 15 120.402 0.000 A 70 CYS H H 1 7.616 0.000 A 70 CYS HBx H 1 2.482 0.000 A 70 CYS HBy H 1 3.080 0.000 A 70 CYS CA C 13 63.145 0.000 A 70 CYS CB C 13 27.510 0.000 A 70 CYS N N 15 117.496 0.000 A 71 THR H H 1 8.509 0.000 A 71 THR HA H 1 4.270 0.000 A 71 THR HB H 1 3.620 0.000 A 71 THR HG2% H 1 1.070 0.000 A 71 THR CA C 13 67.980 0.000 A 71 THR CB C 13 67.949 0.000 A 71 THR CG2 C 13 22.330 0.000 A 71 THR N N 15 118.640 0.000 A 72 ASP HA H 1 4.430 0.000 A 72 ASP HBx H 1 2.635 0.000 A 72 ASP HBy H 1 2.767 0.000 A 72 ASP CA C 13 57.590 0.000 A 72 ASP CB C 13 40.415 0.000 A 73 TRP H H 1 7.780 0.000 A 73 TRP HA H 1 4.407 0.000 A 73 TRP HB2 H 1 3.481 0.000 A 73 TRP HB3 H 1 3.481 0.000 A 73 TRP HD1 H 1 7.604 0.000 A 73 TRP HE1 H 1 10.563 0.000 A 73 TRP HE3 H 1 7.435 0.000 A 73 TRP HH2 H 1 6.687 0.000 A 73 TRP HZ2 H 1 7.282 0.000 A 73 TRP HZ3 H 1 6.857 0.000 A 73 TRP CA C 13 62.951 0.000 A 73 TRP CB C 13 29.114 0.000 A 73 TRP CD1 C 13 127.414 0.000 A 73 TRP CE3 C 13 119.203 0.000 A 73 TRP CH2 C 13 121.469 0.000 A 73 TRP CZ2 C 13 114.509 0.000 A 73 TRP CZ3 C 13 120.805 0.000 A 73 TRP N N 15 121.657 0.000 A 73 TRP NE1 N 15 132.344 0.000 A 74 LEU H H 1 8.490 0.000 A 74 LEU HA H 1 3.582 0.000 A 74 LEU HBx H 1 1.080 0.000 A 74 LEU HBy H 1 2.688 0.000 A 74 LEU HDx% H 1 0.647 0.000 A 74 LEU HDy% H 1 1.061 0.000 A 74 LEU HG H 1 2.185 0.000 A 74 LEU CA C 13 58.184 0.000 A 74 LEU CB C 13 37.610 0.000 A 74 LEU CDy C 13 27.686 0.000 A 74 LEU CDx C 13 24.061 0.000 A 74 LEU CG C 13 26.701 0.000 A 74 LEU N N 15 118.727 0.000 A 75 ASN H H 1 8.639 0.000 A 75 ASN HA H 1 4.527 0.000 A 75 ASN HBx H 1 2.729 0.000 A 75 ASN HBy H 1 2.928 0.000 A 75 ASN CA C 13 56.501 0.000 A 75 ASN CB C 13 37.999 0.000 A 75 ASN N N 15 117.962 0.000 A 76 HIS H H 1 8.158 0.000 A 76 HIS HA H 1 4.450 0.000 A 76 HIS HB2 H 1 3.337 0.000 A 76 HIS HB3 H 1 3.337 0.000 A 76 HIS HD2 H 1 7.015 0.000 A 76 HIS CA C 13 58.737 0.000 A 76 HIS CB C 13 28.007 0.000 A 76 HIS CD2 C 13 119.580 0.000 A 76 HIS N N 15 120.823 0.000 A 77 MET H H 1 8.404 0.000 A 77 MET HA H 1 4.071 0.000 A 77 MET HB2 H 1 1.151 0.000 A 77 MET HB3 H 1 1.151 0.000 A 77 MET HE% H 1 1.678 0.000 A 77 MET HGx H 1 0.831 0.000 A 77 MET HGy H 1 1.138 0.000 A 77 MET CA C 13 55.827 0.000 A 77 MET CB C 13 29.541 0.000 A 77 MET CE C 13 16.220 0.000 A 77 MET CG C 13 29.695 0.000 A 77 MET N N 15 118.749 0.000 A 78 TYR H H 1 8.322 0.000 A 78 TYR HA H 1 3.662 0.000 A 78 TYR HBx H 1 3.010 0.000 A 78 TYR HBy H 1 3.146 0.000 A 78 TYR HDx H 1 6.937 0.000 A 78 TYR HDy H 1 6.937 0.000 A 78 TYR HEx H 1 6.788 0.000 A 78 TYR HEy H 1 6.788 0.000 A 78 TYR CA C 13 62.640 0.000 A 78 TYR CB C 13 37.545 0.000 A 78 TYR CDx C 13 133.023 0.000 A 78 TYR CDy C 13 133.023 0.000 A 78 TYR CEx C 13 117.807 0.000 A 78 TYR CEy C 13 117.807 0.000 A 78 TYR N N 15 120.762 0.000 A 79 ASP H H 1 7.460 0.000 A 79 ASP HA H 1 4.106 0.000 A 79 ASP HB2 H 1 2.715 0.000 A 79 ASP HB3 H 1 2.715 0.000 A 79 ASP CA C 13 57.410 0.000 A 79 ASP CB C 13 40.503 0.000 A 79 ASP N N 15 116.578 0.000 A 80 GLN H H 1 7.552 0.000 A 80 GLN HA H 1 4.056 0.000 A 80 GLN HB2 H 1 2.036 0.000 A 80 GLN HB3 H 1 2.036 0.000 A 80 GLN HG2 H 1 2.160 0.000 A 80 GLN HG3 H 1 2.160 0.000 A 80 GLN CA C 13 57.629 0.000 A 80 GLN CB C 13 29.662 0.000 A 80 GLN N N 15 116.175 0.000 A 81 LEU H H 1 7.957 0.000 A 81 LEU HA H 1 4.233 0.000 A 81 LEU HB2 H 1 1.325 0.000 A 81 LEU HB3 H 1 1.325 0.000 A 81 LEU HDx% H 1 0.466 0.000 A 81 LEU HDy% H 1 1.287 0.000 A 81 LEU HG H 1 1.492 0.000 A 81 LEU CA C 13 55.461 0.000 A 81 LEU CB C 13 42.406 0.000 A 81 LEU CDy C 13 26.072 0.000 A 81 LEU CDx C 13 21.786 0.000 A 81 LEU CG C 13 26.255 0.000 A 81 LEU N N 15 118.398 0.000 A 82 LYS H H 1 7.664 0.000 A 82 LYS HA H 1 3.841 0.000 A 82 LYS HB2 H 1 1.433 0.000 A 82 LYS HB3 H 1 1.433 0.000 A 82 LYS HD2 H 1 1.220 0.000 A 82 LYS HD3 H 1 1.220 0.000 A 82 LYS HE2 H 1 2.917 0.000 A 82 LYS HE3 H 1 2.917 0.000 A 82 LYS HG2 H 1 1.020 0.000 A 82 LYS HG3 H 1 1.020 0.000 A 82 LYS CA C 13 58.510 0.000 A 82 LYS CB C 13 30.922 0.000 A 82 LYS CD C 13 29.499 0.000 A 82 LYS CE C 13 42.317 0.000 A 82 LYS CG C 13 23.341 0.000 A 82 LYS N N 15 119.114 0.000 A 83 ASP H H 1 7.862 0.000 A 83 ASP HA H 1 4.819 0.000 A 83 ASP HBx H 1 2.479 0.000 A 83 ASP HBy H 1 2.751 0.000 A 83 ASP CA C 13 53.886 0.000 A 83 ASP CB C 13 40.986 0.000 A 83 ASP N N 15 118.655 0.000 A 84 TRP H H 1 7.925 0.000 A 84 TRP HB2 H 1 3.375 0.000 A 84 TRP HB3 H 1 3.375 0.000 A 84 TRP HD1 H 1 7.365 0.000 A 84 TRP HE1 H 1 10.173 0.000 A 84 TRP HE3 H 1 7.612 0.000 A 84 TRP HH2 H 1 7.259 0.000 A 84 TRP HZ2 H 1 7.485 0.000 A 84 TRP HZ3 H 1 7.131 0.000 A 84 TRP CA C 13 58.462 0.000 A 84 TRP CB C 13 28.934 0.000 A 84 TRP CD1 C 13 126.257 0.000 A 84 TRP CE3 C 13 120.533 0.000 A 84 TRP CH2 C 13 123.911 0.000 A 84 TRP CZ2 C 13 113.950 0.000 A 84 TRP CZ3 C 13 120.898 0.000 A 84 TRP N N 15 121.757 0.000 A 84 TRP NE1 N 15 129.051 0.000 A 85 LYS H H 1 7.333 0.000 A 85 LYS CA C 13 57.415 0.000 A 85 LYS CB C 13 34.017 0.000 A 85 LYS N N 15 126.975 0.000 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 73 TRP HA A 73 TRP HD1 1.0 1.8 5.0 2 2 A 84 TRP H A 84 TRP HD1 1.0 1.8 5.2 3 3 A 55 THR HA A 73 TRP HH2 1.0 1.8 5.0 4 4 A 73 TRP HZ3 A 76 HIS HD2 1.0 1.8 6.0 5 5 A 58 PHE HE% A 73 TRP HE3 1.0 1.8 5.0 6 6 A 76 HIS HD2 A 73 TRP HE3 1.0 1.8 5.0 7 7 A 73 TRP HE3 A 73 TRP HB2 1.0 1.8 5.0 8 7 A 73 TRP HE3 A 73 TRP HB3 1.0 1.8 5.0 9 8 A 73 TRP HE3 A 74 LEU HG 1.0 1.8 5.0 10 9 A 73 TRP HE3 A 43 LEU HDy% 1.0 1.8 5.5 11 10 A 19 LEU HA A 78 TYR HE% 1.0 1.8 5.0 12 11 A 78 TYR HE% A 82 LYS HE2 1.0 1.8 5.0 13 11 A 78 TYR HE% A 82 LYS HE3 1.0 1.8 5.0 14 12 A 78 TYR HE% A 22 LEU HBy 1.0 1.8 5.0 15 13 A 78 TYR HE% A 15 ALA HB% 1.0 1.8 5.0 16 14 A 78 TYR HE% A 18 LYS HB2 1.0 1.8 5.0 17 14 A 78 TYR HE% A 18 LYS HB3 1.0 1.8 5.0 18 15 A 78 TYR HE% A 18 LYS HG2 1.0 1.8 5.0 19 15 A 78 TYR HE% A 18 LYS HG3 1.0 1.8 5.0 20 16 A 35 TYR HE% A 36 THR HG2% 1.0 1.8 6.5 21 17 A 60 HIS HD2 A 69 MET HE% 1.0 1.8 5.0 22 18 A 57 THR HG2% A 59 TYR HE% 1.0 1.8 5.5 23 19 A 60 HIS HD2 A 65 VAL HGy% 1.0 1.8 5.5 24 20 A 60 HIS HD2 A 65 VAL HGx% 1.0 1.8 5.5 25 21 A 55 THR H A 73 TRP HZ2 1.0 1.8 5.2 26 22 A 76 HIS HD2 A 73 TRP HZ2 1.0 1.8 5.0 27 23 A 28 TYR HD% A 29 ASP H 1.0 1.8 6.2 28 24 A 28 TYR HD% A 30 ASP H 1.0 1.8 6.2 29 25 A 77 MET H A 78 TYR HD% 1.0 1.8 5.2 30 26 A 78 TYR HD% A 78 TYR H 1.0 1.8 5.2 31 27 A 78 TYR HD% A 76 HIS H 1.0 1.8 5.2 32 28 A 19 LEU HA A 78 TYR HD% 1.0 1.8 5.0 33 29 A 78 TYR HD% A 18 LYS HA 1.0 1.8 6.0 34 30 A 78 TYR HD% A 82 LYS HE2 1.0 1.8 5.0 35 30 A 82 LYS HE3 A 78 TYR HD% 1.0 1.8 5.0 36 31 A 22 LEU HBy A 78 TYR HD% 1.0 1.8 5.0 37 32 A 78 TYR HD% A 22 LEU HG 1.0 1.8 6.0 38 33 A 78 TYR HD% A 22 LEU HBx 1.0 1.8 5.0 39 34 A 78 TYR HD% A 82 LYS HD2 1.0 1.8 5.0 40 34 A 78 TYR HD% A 82 LYS HD3 1.0 1.8 5.0 41 35 A 78 TYR HD% A 18 LYS HB2 1.0 1.8 5.0 42 35 A 18 LYS HB3 A 78 TYR HD% 1.0 1.8 5.0 43 36 A 28 TYR HD% A 26 VAL HGx% 1.0 1.8 5.5 44 37 A 28 TYR HD% A 26 VAL HGy% 1.0 1.8 5.5 45 38 A 35 TYR HA A 35 TYR HD% 1.0 1.8 5.0 46 39 A 58 PHE HD% A 42 ARG HB2 1.0 1.8 6.0 47 39 A 42 ARG HB3 A 58 PHE HD% 1.0 1.8 6.0 48 40 A 28 TYR HD% A 43 LEU HDx% 1.0 1.8 5.5 49 41 A 36 THR HG2% A 35 TYR HD% 1.0 1.8 5.5 50 42 A 12 PHE HD% A 67 PHE HE% 1.0 1.8 5.0 51 43 A 20 PHE HA A 20 PHE HD% 1.0 1.8 5.0 52 44 A 12 PHE HD% A 67 PHE HD% 1.0 1.8 3.3 53 45 A 43 LEU HDx% A 67 PHE HD% 1.0 1.8 6.5 54 46 A 29 ASP H A 28 TYR HA 1.0 1.8 5.2 55 47 A 67 PHE HE% A 12 PHE HE% 1.0 1.8 5.0 56 48 A 43 LEU HDx% A 67 PHE HE% 1.0 1.8 6.5 57 49 A 18 LYS HB3 A 18 LYS HG2 1.0 1.8 3.3 58 49 A 18 LYS HB2 A 18 LYS HG2 1.0 1.8 3.3 59 49 A 18 LYS HG3 A 18 LYS HB2 1.0 1.8 3.3 60 49 A 18 LYS HB3 A 18 LYS HG3 1.0 1.8 3.3 61 50 A 82 LYS HB2 A 82 LYS HD2 1.0 1.8 3.3 62 50 A 82 LYS HB3 A 82 LYS HD2 1.0 1.8 3.3 63 50 A 82 LYS HD3 A 82 LYS HB2 1.0 1.8 3.3 64 50 A 82 LYS HD3 A 82 LYS HB3 1.0 1.8 3.3 65 51 A 79 ASP HB3 A 82 LYS HD2 1.0 1.8 5.0 66 51 A 79 ASP HB2 A 82 LYS HD2 1.0 1.8 5.0 67 51 A 82 LYS HD3 A 79 ASP HB2 1.0 1.8 5.0 68 51 A 82 LYS HD3 A 79 ASP HB3 1.0 1.8 5.0 69 52 A 77 MET HE% A 77 MET HB2 1.0 1.8 5.0 70 52 A 77 MET HB3 A 77 MET HE% 1.0 1.8 5.0 71 53 A 77 MET HE% A 77 MET HGx 1.0 1.8 5.0 72 54 A 77 MET HB3 A 80 GLN HB2 1.0 1.8 5.0 73 54 A 80 GLN HB3 A 77 MET HB2 1.0 1.8 5.0 74 54 A 77 MET HB3 A 80 GLN HB3 1.0 1.8 5.0 75 54 A 77 MET HB2 A 80 GLN HB2 1.0 1.8 5.0 76 55 A 24 LEU HDy% A 77 MET HGy 1.0 1.8 5.5 77 56 A 77 MET HGx A 45 ILE HD1% 1.0 1.8 5.5 78 57 A 71 THR H A 73 TRP HB2 1.0 1.8 6.2 79 57 A 73 TRP HB3 A 71 THR H 1.0 1.8 6.2 80 58 A 41 ILE H A 41 ILE HG1x 1.0 1.8 6.2 81 59 A 41 ILE H A 41 ILE HG1y 1.0 1.8 6.2 82 60 A 84 TRP HE3 A 84 TRP HB2 1.0 1.8 5.0 83 60 A 84 TRP HB3 A 84 TRP HE3 1.0 1.8 5.0 84 61 A 58 PHE HE% A 73 TRP HB2 1.0 1.8 5.0 85 61 A 58 PHE HE% A 73 TRP HB3 1.0 1.8 5.0 86 62 A 81 LEU HB3 A 84 TRP HB2 1.0 1.8 6.0 87 62 A 81 LEU HB2 A 84 TRP HB2 1.0 1.8 6.0 88 62 A 84 TRP HB3 A 81 LEU HB2 1.0 1.8 6.0 89 62 A 84 TRP HB3 A 81 LEU HB3 1.0 1.8 6.0 90 63 A 27 ILE HG2% A 27 ILE HG1x 1.0 1.8 3.8 91 64 A 27 ILE H A 27 ILE HG1x 1.0 1.8 5.2 92 65 A 21 GLN H A 21 GLN HBy 1.0 1.8 5.2 93 66 A 21 GLN H A 21 GLN HBx 1.0 1.8 5.2 94 67 A 21 GLN HBx A 22 LEU H 1.0 1.8 5.2 95 68 A 73 TRP HH2 A 45 ILE HG1x 1.0 1.8 5.0 96 69 A 44 ARG HA A 44 ARG HG2 1.0 1.8 5.0 97 69 A 44 ARG HA A 44 ARG HG3 1.0 1.8 5.0 98 70 A 18 LYS HA A 21 GLN HBy 1.0 1.8 5.0 99 71 A 22 LEU HBy A 21 GLN HBx 1.0 1.8 6.0 100 72 A 24 LEU HDy% A 22 LEU HDy% 1.0 1.8 6.0 101 73 A 53 ILE H A 53 ILE HG1y 1.0 1.8 5.2 102 74 A 71 THR H A 70 CYS HBy 1.0 1.8 5.2 103 75 A 73 TRP HH2 A 45 ILE HG1y 1.0 1.8 5.0 104 76 A 58 PHE HE% A 43 LEU HDy% 1.0 1.8 5.5 105 77 A 43 LEU HDy% A 58 PHE HD% 1.0 1.8 5.5 106 78 A 53 ILE HG1y A 46 GLU HA 1.0 1.8 5.0 107 79 A 24 LEU HDy% A 24 LEU HA 1.0 1.8 5.5 108 80 A 52 LEU HA A 53 ILE HG1x 1.0 1.8 5.0 109 81 A 53 ILE HG1y A 53 ILE HA 1.0 1.8 5.0 110 82 A 43 LEU HDy% A 28 TYR HB2 1.0 1.8 6.5 111 82 A 43 LEU HDy% A 28 TYR HB3 1.0 1.8 6.5 112 83 A 74 LEU HG A 43 LEU HG 1.0 1.8 5.0 113 84 A 48 ARG HB2 A 48 ARG HG2 1.0 1.8 3.3 114 84 A 48 ARG HB3 A 48 ARG HG2 1.0 1.8 3.3 115 84 A 48 ARG HG3 A 48 ARG HB2 1.0 1.8 3.3 116 84 A 48 ARG HB3 A 48 ARG HG3 1.0 1.8 3.3 117 85 A 53 ILE HG1y A 46 GLU HB2 1.0 1.8 6.0 118 85 A 53 ILE HG1y A 46 GLU HB3 1.0 1.8 6.0 119 86 A 74 LEU HG A 43 LEU HDy% 1.0 1.8 5.5 120 87 A 22 LEU HBy A 24 LEU HDy% 1.0 1.8 5.5 121 88 A 22 LEU HG A 24 LEU HDy% 1.0 1.8 5.5 122 89 A 22 LEU HBx A 24 LEU HG 1.0 1.8 5.0 123 90 A 22 LEU HBx A 24 LEU HDy% 1.0 1.8 5.5 124 91 A 43 LEU HDy% A 43 LEU HBx 1.0 1.8 3.8 125 92 A 24 LEU HDy% A 81 LEU HDx% 1.0 1.8 4.3 126 93 A 43 LEU HDy% A 43 LEU HBy 1.0 1.8 5.5 127 94 A 24 LEU HDy% A 24 LEU HBx 1.0 1.8 5.5 128 95 A 45 ILE HG1y A 45 ILE HG2% 1.0 1.8 5.5 129 96 A 45 ILE HG1x A 45 ILE HG2% 1.0 1.8 3.8 130 97 A 24 LEU HDy% A 22 LEU HDx% 1.0 1.8 6.0 131 98 A 66 LEU H A 66 LEU HG 1.0 1.8 5.2 132 99 A 22 LEU HG A 22 LEU H 1.0 1.8 5.2 133 100 A 78 TYR HE% A 22 LEU HG 1.0 1.8 6.0 134 101 A 57 THR HA A 42 ARG HG2 1.0 1.8 5.0 135 101 A 42 ARG HG3 A 57 THR HA 1.0 1.8 5.0 136 102 A 81 LEU HG A 80 GLN HB2 1.0 1.8 5.0 137 102 A 80 GLN HB3 A 81 LEU HG 1.0 1.8 5.0 138 103 A 74 LEU HG A 43 LEU HBy 1.0 1.8 6.0 139 104 A 22 LEU HG A 24 LEU HG 1.0 1.8 5.0 140 105 A 81 LEU HG A 22 LEU HDx% 1.0 1.8 6.5 141 106 A 43 LEU HDx% A 27 ILE H 1.0 1.8 6.7 142 107 A 43 LEU HDx% A 44 ARG H 1.0 1.8 5.7 143 108 A 43 LEU HDx% A 12 PHE HE% 1.0 1.8 5.5 144 109 A 43 LEU HDx% A 28 TYR HE% 1.0 1.8 6.5 145 110 A 43 LEU HDx% A 28 TYR HA 1.0 1.8 5.5 146 111 A 81 LEU HA A 81 LEU HDy% 1.0 1.8 5.5 147 112 A 13 LYS HA A 13 LYS HG2 1.0 1.8 5.0 148 112 A 13 LYS HA A 13 LYS HG3 1.0 1.8 5.0 149 113 A 43 LEU HDx% A 28 TYR HB2 1.0 1.8 5.5 150 113 A 43 LEU HDx% A 28 TYR HB3 1.0 1.8 5.5 151 114 A 43 LEU HDx% A 26 VAL HB 1.0 1.8 6.5 152 115 A 43 LEU HDx% A 42 ARG HB2 1.0 1.8 6.5 153 115 A 42 ARG HB3 A 43 LEU HDx% 1.0 1.8 6.5 154 116 A 9 LEU HB2 A 13 LYS HG2 1.0 1.8 3.3 155 116 A 9 LEU HB3 A 13 LYS HG2 1.0 1.8 3.3 156 116 A 13 LYS HG3 A 9 LEU HB2 1.0 1.8 3.3 157 116 A 13 LYS HG3 A 9 LEU HB3 1.0 1.8 3.3 158 117 A 43 LEU HDx% A 43 LEU HBx 1.0 1.8 5.5 159 118 A 81 LEU HG A 77 MET HB2 1.0 1.8 5.0 160 118 A 77 MET HB3 A 81 LEU HG 1.0 1.8 5.0 161 119 A 81 LEU HDy% A 81 LEU HB2 1.0 1.8 3.8 162 119 A 81 LEU HB3 A 81 LEU HDy% 1.0 1.8 3.8 163 120 A 43 LEU HDx% A 43 LEU HBy 1.0 1.8 5.5 164 121 A 16 THR HG2% A 13 LYS HG2 1.0 1.8 6.5 165 121 A 13 LYS HG3 A 16 THR HG2% 1.0 1.8 6.5 166 122 A 81 LEU HG A 22 LEU HDy% 1.0 1.8 6.5 167 123 A 81 LEU HDy% A 53 ILE HG2% 1.0 1.8 4.3 168 124 A 12 PHE HD% A 9 LEU HDy% 1.0 1.8 5.5 169 125 A 12 PHE HD% A 9 LEU HDx% 1.0 1.8 5.5 170 126 A 9 LEU HA A 9 LEU HDy% 1.0 1.8 5.5 171 127 A 9 LEU HA A 9 LEU HDx% 1.0 1.8 5.5 172 128 A 13 LYS HA A 9 LEU HDx% 1.0 1.8 6.5 173 129 A 13 LYS HA A 9 LEU HDy% 1.0 1.8 6.5 174 130 A 12 PHE HB3 A 9 LEU HDy% 1.0 1.8 5.5 175 130 A 9 LEU HDy% A 12 PHE HB2 1.0 1.8 5.5 176 131 A 12 PHE HB3 A 9 LEU HDx% 1.0 1.8 5.5 177 131 A 9 LEU HDx% A 12 PHE HB2 1.0 1.8 5.5 178 132 A 9 LEU HB2 A 9 LEU HDy% 1.0 1.8 5.5 179 132 A 9 LEU HB3 A 9 LEU HDy% 1.0 1.8 5.5 180 133 A 9 LEU HB3 A 9 LEU HDx% 1.0 1.8 5.5 181 133 A 9 LEU HDx% A 9 LEU HB2 1.0 1.8 5.5 182 134 A 83 ASP H A 82 LYS HG2 1.0 1.8 5.2 183 134 A 82 LYS HG3 A 83 ASP H 1.0 1.8 5.2 184 135 A 59 TYR HA A 66 LEU HDx% 1.0 1.8 5.5 185 136 A 79 ASP HA A 82 LYS HG2 1.0 1.8 5.0 186 136 A 82 LYS HG3 A 79 ASP HA 1.0 1.8 5.0 187 137 A 66 LEU HA A 66 LEU HDx% 1.0 1.8 5.5 188 138 A 66 LEU HBx A 66 LEU HDx% 1.0 1.8 5.5 189 139 A 82 LYS HB3 A 82 LYS HG2 1.0 1.8 3.3 190 139 A 82 LYS HB2 A 82 LYS HG2 1.0 1.8 3.3 191 139 A 82 LYS HG3 A 82 LYS HB2 1.0 1.8 3.3 192 139 A 82 LYS HB3 A 82 LYS HG3 1.0 1.8 3.3 193 140 A 82 LYS HD3 A 82 LYS HG2 1.0 1.8 3.3 194 140 A 82 LYS HD2 A 82 LYS HG2 1.0 1.8 3.3 195 140 A 82 LYS HG3 A 82 LYS HD2 1.0 1.8 3.3 196 140 A 82 LYS HD3 A 82 LYS HG3 1.0 1.8 3.3 197 141 A 57 THR H A 57 THR HB 1.0 1.8 5.2 198 142 A 12 PHE H A 71 THR HG2% 1.0 1.8 5.7 199 143 A 71 THR HG2% A 73 TRP H 1.0 1.8 6.7 200 144 A 78 TYR HE% A 24 LEU HDx% 1.0 1.8 5.5 201 145 A 26 VAL HA A 26 VAL HGx% 1.0 1.8 5.5 202 146 A 57 THR HB A 56 SER HA 1.0 1.8 6.0 203 147 A 71 THR HG2% A 68 ASN HA 1.0 1.8 5.5 204 148 A 71 THR HG2% A 71 THR HA 1.0 1.8 5.5 205 149 A 71 THR HG2% A 67 PHE HB2 1.0 1.8 6.5 206 149 A 71 THR HG2% A 67 PHE HB3 1.0 1.8 6.5 207 150 A 74 LEU HG A 26 VAL HGx% 1.0 1.8 5.5 208 151 A 22 LEU HBy A 24 LEU HDx% 1.0 1.8 5.5 209 152 A 24 LEU HDx% A 22 LEU HDy% 1.0 1.8 6.0 210 153 A 43 LEU HBy A 44 ARG H 1.0 1.8 5.2 211 154 A 27 ILE H A 26 VAL HGy% 1.0 1.8 5.7 212 155 A 25 ALA HB% A 46 GLU H 1.0 1.8 6.2 213 156 A 43 LEU HBx A 58 PHE H 1.0 1.8 6.2 214 157 A 25 ALA HB% A 25 ALA H 1.0 1.8 3.5 215 158 A 22 LEU H A 22 LEU HDx% 1.0 1.8 5.7 216 159 A 36 THR HG2% A 36 THR H 1.0 1.8 5.7 217 160 A 25 ALA HB% A 26 VAL H 1.0 1.8 5.2 218 161 A 26 VAL H A 26 VAL HGy% 1.0 1.8 5.7 219 162 A 24 LEU HDx% A 24 LEU H 1.0 1.8 5.7 220 163 A 65 VAL H A 65 VAL HGy% 1.0 1.8 5.7 221 164 A 58 PHE HE% A 43 LEU HBx 1.0 1.8 5.0 222 165 A 58 PHE HE% A 43 LEU HBy 1.0 1.8 5.0 223 166 A 26 VAL HA A 26 VAL HGy% 1.0 1.8 5.5 224 167 A 24 LEU HA A 25 ALA HB% 1.0 1.8 5.0 225 168 A 24 LEU HA A 24 LEU HDx% 1.0 1.8 5.5 226 169 A 36 THR HG2% A 36 THR HA 1.0 1.8 3.8 227 170 A 65 VAL HA A 65 VAL HGy% 1.0 1.8 3.8 228 171 A 71 THR HG2% A 12 PHE HB2 1.0 1.8 6.5 229 171 A 12 PHE HB3 A 71 THR HG2% 1.0 1.8 6.5 230 172 A 74 LEU HG A 26 VAL HGy% 1.0 1.8 5.5 231 173 A 22 LEU HG A 81 LEU HDx% 1.0 1.8 5.5 232 174 A 81 LEU HDx% A 80 GLN HB2 1.0 1.8 5.5 233 174 A 80 GLN HB3 A 81 LEU HDx% 1.0 1.8 5.5 234 175 A 43 LEU HG A 26 VAL HGx% 1.0 1.8 5.5 235 176 A 43 LEU HG A 26 VAL HGy% 1.0 1.8 5.5 236 177 A 24 LEU HDx% A 22 LEU HDx% 1.0 1.8 6.0 237 178 A 81 LEU HB3 A 22 LEU HDx% 1.0 1.8 5.5 238 178 A 22 LEU HDx% A 81 LEU HB2 1.0 1.8 5.5 239 179 A 81 LEU HDx% A 22 LEU HDx% 1.0 1.8 6.0 240 180 A 81 LEU HDx% A 77 MET HB2 1.0 1.8 3.8 241 180 A 77 MET HB3 A 81 LEU HDx% 1.0 1.8 3.8 242 181 A 77 MET HGy A 81 LEU HDx% 1.0 1.8 5.5 243 182 A 81 LEU HDx% A 22 LEU HDy% 1.0 1.8 6.0 244 183 A 57 THR HG2% A 59 TYR HD% 1.0 1.8 5.5 245 184 A 57 THR HG2% A 57 THR HA 1.0 1.8 3.8 246 185 A 57 THR HG2% A 42 ARG HB2 1.0 1.8 5.5 247 185 A 57 THR HG2% A 42 ARG HB3 1.0 1.8 5.5 248 186 A 57 THR HG2% A 42 ARG HG2 1.0 1.8 5.5 249 186 A 57 THR HG2% A 42 ARG HG3 1.0 1.8 5.5 250 187 A 65 VAL H A 65 VAL HGx% 1.0 1.8 5.7 251 188 A 42 ARG HD3 A 29 ASP HBx 1.0 1.8 5.0 252 188 A 29 ASP HBx A 42 ARG HD2 1.0 1.8 5.0 253 189 A 42 ARG HD3 A 29 ASP HBy 1.0 1.8 5.0 254 189 A 29 ASP HBy A 42 ARG HD2 1.0 1.8 5.0 255 190 A 45 ILE HD1% A 54 ASP HBx 1.0 1.8 6.5 256 191 A 25 ALA H A 24 LEU HBy 1.0 1.8 5.2 257 192 A 24 LEU H A 24 LEU HBy 1.0 1.8 5.2 258 193 A 12 PHE HA A 71 THR HB 1.0 1.8 5.0 259 194 A 71 THR HB A 12 PHE HB2 1.0 1.8 5.0 260 194 A 12 PHE HB3 A 71 THR HB 1.0 1.8 5.0 261 195 A 15 ALA HB% A 14 ALA HA 1.0 1.8 6.0 262 196 A 22 LEU HBy A 24 LEU HBy 1.0 1.8 5.0 263 197 A 22 LEU HG A 24 LEU HBy 1.0 1.8 6.0 264 198 A 44 ARG HDx A 44 ARG HB2 1.0 1.8 5.0 265 198 A 44 ARG HB3 A 44 ARG HDx 1.0 1.8 5.0 266 199 A 15 ALA HB% A 71 THR HB 1.0 1.8 5.0 267 200 A 44 ARG HB2 A 44 ARG HDy 1.0 1.8 5.0 268 200 A 44 ARG HB3 A 44 ARG HDy 1.0 1.8 5.0 269 201 A 24 LEU HBx A 19 LEU HB2 1.0 1.8 6.0 270 201 A 24 LEU HBx A 19 LEU HB3 1.0 1.8 6.0 271 202 A 81 LEU HDx% A 24 LEU HBy 1.0 1.8 5.5 272 203 A 24 LEU HBx A 25 ALA HB% 1.0 1.8 5.0 273 204 A 45 ILE HG2% A 24 LEU HBy 1.0 1.8 5.5 274 205 A 24 LEU HBx A 45 ILE HG2% 1.0 1.8 5.5 275 206 A 24 LEU HDy% A 24 LEU HBy 1.0 1.8 5.5 276 207 A 27 ILE H A 45 ILE HG2% 1.0 1.8 6.7 277 208 A 53 ILE H A 45 ILE HG2% 1.0 1.8 6.7 278 209 A 45 ILE HG2% A 46 GLU H 1.0 1.8 5.7 279 210 A 15 ALA HB% A 75 ASN H 1.0 1.8 5.2 280 211 A 45 ILE HG2% A 25 ALA H 1.0 1.8 5.7 281 212 A 45 ILE HG2% A 45 ILE H 1.0 1.8 5.7 282 213 A 34 ALA H A 34 ALA HB% 1.0 1.8 3.5 283 214 A 15 ALA HB% A 18 LYS H 1.0 1.8 5.2 284 215 A 45 ILE HG2% A 54 ASP H 1.0 1.8 5.7 285 216 A 16 THR HA A 19 LEU H 1.0 1.8 5.2 286 217 A 46 GLU HA A 45 ILE HG2% 1.0 1.8 5.5 287 218 A 45 ILE HG2% A 26 VAL HA 1.0 1.8 5.5 288 219 A 15 ALA HB% A 12 PHE HA 1.0 1.8 5.0 289 220 A 48 ARG HB2 A 48 ARG HD2 1.0 1.8 5.0 290 220 A 48 ARG HB3 A 48 ARG HD2 1.0 1.8 5.0 291 220 A 48 ARG HD3 A 48 ARG HB2 1.0 1.8 5.0 292 220 A 48 ARG HB3 A 48 ARG HD3 1.0 1.8 5.0 293 221 A 16 THR HA A 19 LEU HB2 1.0 1.8 5.0 294 221 A 19 LEU HB3 A 16 THR HA 1.0 1.8 5.0 295 222 A 45 ILE HG2% A 26 VAL HB 1.0 1.8 5.5 296 223 A 45 ILE HG2% A 46 GLU HB2 1.0 1.8 6.5 297 223 A 46 GLU HB3 A 45 ILE HG2% 1.0 1.8 6.5 298 224 A 48 ARG HD2 A 48 ARG HG2 1.0 1.8 3.3 299 224 A 48 ARG HD3 A 48 ARG HG2 1.0 1.8 3.3 300 224 A 48 ARG HG3 A 48 ARG HD2 1.0 1.8 3.3 301 224 A 48 ARG HG3 A 48 ARG HD3 1.0 1.8 3.3 302 225 A 15 ALA HB% A 74 LEU HDy% 1.0 1.8 5.5 303 226 A 16 THR HG2% A 16 THR HA 1.0 1.8 3.8 304 227 A 15 ALA HB% A 74 LEU HDx% 1.0 1.8 5.5 305 228 A 55 THR H A 55 THR HG2% 1.0 1.8 5.7 306 229 A 27 ILE HG2% A 27 ILE H 1.0 1.8 5.7 307 230 A 29 ASP H A 28 TYR HB2 1.0 1.8 5.2 308 230 A 29 ASP H A 28 TYR HB3 1.0 1.8 5.2 309 231 A 66 LEU HBy A 67 PHE H 1.0 1.8 5.2 310 232 A 11 ALA H A 11 ALA HB% 1.0 1.8 5.2 311 233 A 66 LEU H A 66 LEU HBy 1.0 1.8 5.2 312 234 A 79 ASP H A 82 LYS HE2 1.0 1.8 6.2 313 234 A 82 LYS HE3 A 79 ASP H 1.0 1.8 6.2 314 235 A 82 LYS H A 81 LEU HB2 1.0 1.8 5.2 315 235 A 81 LEU HB3 A 82 LYS H 1.0 1.8 5.2 316 236 A 14 ALA HB% A 15 ALA H 1.0 1.8 5.2 317 237 A 58 PHE HD% A 41 ILE HB 1.0 1.8 6.0 318 238 A 58 PHE HD% A 41 ILE HG2% 1.0 1.8 5.5 319 239 A 67 PHE HD% A 41 ILE HG2% 1.0 1.8 5.5 320 240 A 30 ASP HA A 28 TYR HB2 1.0 1.8 6.0 321 240 A 28 TYR HB3 A 30 ASP HA 1.0 1.8 6.0 322 241 A 41 ILE HG2% A 30 ASP HA 1.0 1.8 5.5 323 242 A 44 ARG HA A 55 THR HG2% 1.0 1.8 5.5 324 243 A 55 THR HG2% A 54 ASP HA 1.0 1.8 5.5 325 244 A 27 ILE HG2% A 27 ILE HA 1.0 1.8 3.8 326 245 A 41 ILE HG2% A 41 ILE HA 1.0 1.8 5.5 327 246 A 79 ASP HA A 82 LYS HE2 1.0 1.8 5.0 328 246 A 82 LYS HE3 A 79 ASP HA 1.0 1.8 5.0 329 247 A 12 PHE HA A 11 ALA HB% 1.0 1.8 5.0 330 248 A 14 ALA HB% A 11 ALA HA 1.0 1.8 5.0 331 249 A 13 LYS HA A 13 LYS HE2 1.0 1.8 6.0 332 249 A 13 LYS HA A 13 LYS HE3 1.0 1.8 6.0 333 250 A 82 LYS HA A 82 LYS HE2 1.0 1.8 6.0 334 250 A 82 LYS HE3 A 82 LYS HA 1.0 1.8 6.0 335 251 A 9 LEU HA A 11 ALA HB% 1.0 1.8 6.0 336 252 A 66 LEU HBy A 67 PHE HA 1.0 1.8 5.0 337 253 A 82 LYS HA A 81 LEU HB2 1.0 1.8 5.0 338 253 A 81 LEU HB3 A 82 LYS HA 1.0 1.8 5.0 339 254 A 66 LEU HBx A 63 GLU HA 1.0 1.8 5.0 340 255 A 11 ALA HB% A 12 PHE HB2 1.0 1.8 5.0 341 255 A 12 PHE HB3 A 11 ALA HB% 1.0 1.8 5.0 342 256 A 10 ALA HB% A 12 PHE HB2 1.0 1.8 6.0 343 256 A 12 PHE HB3 A 10 ALA HB% 1.0 1.8 6.0 344 257 A 66 LEU HBx A 63 GLU HBx 1.0 1.8 6.0 345 258 A 66 LEU HBx A 63 GLU HBy 1.0 1.8 6.0 346 259 A 41 ILE HG2% A 42 ARG HB2 1.0 1.8 5.5 347 259 A 42 ARG HB3 A 41 ILE HG2% 1.0 1.8 5.5 348 260 A 43 LEU HG A 28 TYR HB2 1.0 1.8 5.0 349 260 A 28 TYR HB3 A 43 LEU HG 1.0 1.8 5.0 350 261 A 9 LEU HB2 A 13 LYS HE2 1.0 1.8 3.3 351 261 A 9 LEU HB3 A 13 LYS HE2 1.0 1.8 3.3 352 261 A 13 LYS HE3 A 9 LEU HB2 1.0 1.8 3.3 353 261 A 9 LEU HB3 A 13 LYS HE3 1.0 1.8 3.3 354 262 A 81 LEU HG A 81 LEU HB2 1.0 1.8 3.3 355 262 A 81 LEU HB3 A 81 LEU HG 1.0 1.8 3.3 356 263 A 27 ILE HG2% A 44 ARG HG2 1.0 1.8 5.5 357 263 A 27 ILE HG2% A 44 ARG HG3 1.0 1.8 5.5 358 264 A 55 THR HG2% A 44 ARG HB2 1.0 1.8 5.5 359 264 A 44 ARG HB3 A 55 THR HG2% 1.0 1.8 5.5 360 265 A 55 THR HG2% A 44 ARG HG2 1.0 1.8 5.5 361 265 A 44 ARG HG3 A 55 THR HG2% 1.0 1.8 5.5 362 266 A 13 LYS HE3 A 13 LYS HG2 1.0 1.8 3.3 363 266 A 13 LYS HE2 A 13 LYS HG2 1.0 1.8 3.3 364 266 A 13 LYS HG3 A 13 LYS HE2 1.0 1.8 3.3 365 266 A 13 LYS HG3 A 13 LYS HE3 1.0 1.8 3.3 366 267 A 24 LEU HDx% A 19 LEU HD11 1.0 1.8 6.0 367 268 A 71 THR HG2% A 11 ALA HB% 1.0 1.8 5.5 368 269 A 27 ILE HG2% A 27 ILE HG1y 1.0 1.8 3.8 369 270 A 45 ILE HG2% A 77 MET HB2 1.0 1.8 5.5 370 270 A 77 MET HB3 A 45 ILE HG2% 1.0 1.8 5.5 371 271 A 77 MET HGy A 45 ILE HG2% 1.0 1.8 6.5 372 272 A 24 LEU HDx% A 19 LEU HD21 1.0 1.8 6.0 373 273 A 43 LEU HDx% A 41 ILE HG2% 1.0 1.8 6.0 374 274 A 82 LYS HE3 A 82 LYS HG2 1.0 1.8 5.0 375 274 A 82 LYS HE2 A 82 LYS HG2 1.0 1.8 5.0 376 274 A 82 LYS HG3 A 82 LYS HE2 1.0 1.8 5.0 377 274 A 82 LYS HE3 A 82 LYS HG3 1.0 1.8 5.0 378 275 A 41 ILE HG2% A 28 TYR HB2 1.0 1.8 5.5 379 275 A 28 TYR HB3 A 41 ILE HG2% 1.0 1.8 5.5 380 276 A 81 LEU HB3 A 82 LYS HG2 1.0 1.8 5.0 381 276 A 81 LEU HB2 A 82 LYS HG2 1.0 1.8 5.0 382 276 A 82 LYS HG3 A 81 LEU HB2 1.0 1.8 5.0 383 276 A 81 LEU HB3 A 82 LYS HG3 1.0 1.8 5.0 384 277 A 81 LEU HB3 A 22 LEU HDy% 1.0 1.8 5.5 385 277 A 22 LEU HDy% A 81 LEU HB2 1.0 1.8 5.5 386 278 A 66 LEU HBx A 66 LEU HDy% 1.0 1.8 5.5 387 279 A 53 ILE H A 53 ILE HG2% 1.0 1.8 5.7 388 280 A 48 ARG H A 47 ASP HBy 1.0 1.8 5.2 389 281 A 14 ALA HB% A 13 LYS H 1.0 1.8 5.2 390 282 A 11 ALA H A 10 ALA HB% 1.0 1.8 3.5 391 283 A 19 LEU HA A 22 LEU HBy 1.0 1.8 5.0 392 284 A 53 ILE HA A 53 ILE HG2% 1.0 1.8 3.8 393 285 A 22 LEU HBx A 78 TYR HBy 1.0 1.8 6.0 394 286 A 9 LEU HB3 A 12 PHE HB2 1.0 1.8 5.0 395 286 A 9 LEU HB2 A 12 PHE HB2 1.0 1.8 5.0 396 286 A 12 PHE HB3 A 9 LEU HB2 1.0 1.8 5.0 397 286 A 9 LEU HB3 A 12 PHE HB3 1.0 1.8 5.0 398 287 A 65 VAL HA A 68 ASN HB2 1.0 1.8 5.0 399 287 A 65 VAL HA A 68 ASN HB3 1.0 1.8 5.0 400 288 A 65 VAL HA A 69 MET HGy 1.0 1.8 5.0 401 289 A 22 LEU HBy A 24 LEU HG 1.0 1.8 5.0 402 290 A 22 LEU HBy A 81 LEU HB2 1.0 1.8 6.0 403 290 A 22 LEU HBy A 81 LEU HB3 1.0 1.8 6.0 404 291 A 22 LEU HBy A 81 LEU HDx% 1.0 1.8 6.5 405 292 A 53 ILE HG1y A 53 ILE HG2% 1.0 1.8 3.8 406 293 A 81 LEU HDx% A 53 ILE HG2% 1.0 1.8 6.0 407 294 A 53 ILE HG2% A 53 ILE HD1% 1.0 1.8 4.3 408 295 A 65 VAL HA A 65 VAL HGx% 1.0 1.8 3.8 409 296 A 69 MET HE% A 59 TYR H 1.0 1.8 5.2 410 297 A 20 PHE H A 19 LEU HB2 1.0 1.8 5.2 411 297 A 19 LEU HB3 A 20 PHE H 1.0 1.8 5.2 412 298 A 69 MET HE% A 58 PHE HA 1.0 1.8 5.0 413 299 A 69 MET HE% A 66 LEU HA 1.0 1.8 5.0 414 300 A 69 MET HE% A 69 MET HGx 1.0 1.8 5.0 415 301 A 69 MET HE% A 69 MET HGy 1.0 1.8 3.3 416 302 A 22 LEU HBx A 21 GLN HBx 1.0 1.8 5.0 417 303 A 19 LEU HB3 A 19 LEU HD11 1.0 1.8 5.5 418 303 A 19 LEU HD11 A 19 LEU HB2 1.0 1.8 5.5 419 304 A 45 ILE HG1y A 53 ILE HG2% 1.0 1.8 6.5 420 305 A 69 MET HE% A 65 VAL HB 1.0 1.8 6.0 421 306 A 69 MET HE% A 66 LEU HBy 1.0 1.8 6.0 422 307 A 24 LEU HDx% A 19 LEU HB2 1.0 1.8 5.5 423 307 A 24 LEU HDx% A 19 LEU HB3 1.0 1.8 5.5 424 308 A 19 LEU HB3 A 19 LEU HD21 1.0 1.8 5.5 425 308 A 19 LEU HB2 A 19 LEU HD21 1.0 1.8 5.5 426 309 A 69 MET HE% A 66 LEU HDx% 1.0 1.8 5.5 427 310 A 69 MET HE% A 66 LEU HDy% 1.0 1.8 5.5 428 311 A 24 LEU HDy% A 19 LEU HB2 1.0 1.8 5.5 429 311 A 24 LEU HDy% A 19 LEU HB3 1.0 1.8 5.5 430 312 A 77 MET HE% A 73 TRP HE1 1.0 1.8 5.0 431 313 A 27 ILE H A 27 ILE HB 1.0 1.8 5.2 432 314 A 45 ILE H A 45 ILE HB 1.0 1.8 5.2 433 315 A 64 ASP H A 64 ASP HBx 1.0 1.8 5.2 434 316 A 64 ASP H A 64 ASP HBy 1.0 1.8 5.2 435 317 A 49 SER H A 49 SER HBx 1.0 1.8 5.2 436 318 A 65 VAL H A 64 ASP HBy 1.0 1.8 5.2 437 319 A 73 TRP HZ2 A 77 MET HE% 1.0 1.8 5.0 438 320 A 76 HIS HD2 A 77 MET HE% 1.0 1.8 5.0 439 321 A 27 ILE HB A 44 ARG HG2 1.0 1.8 6.0 440 321 A 44 ARG HG3 A 27 ILE HB 1.0 1.8 6.0 441 322 A 53 ILE HG1x A 45 ILE HB 1.0 1.8 5.0 442 323 A 77 MET HE% A 45 ILE HG2% 1.0 1.8 5.5 443 324 A 77 MET HE% A 45 ILE HD1% 1.0 1.8 5.5 444 325 A 45 ILE HD1% A 45 ILE HB 1.0 1.8 5.5 445 326 A 11 ALA H A 12 PHE HB2 1.0 1.8 5.2 446 326 A 12 PHE HB3 A 11 ALA H 1.0 1.8 5.2 447 327 A 67 PHE HD% A 12 PHE HB2 1.0 1.8 5.0 448 327 A 67 PHE HD% A 12 PHE HB3 1.0 1.8 5.0 449 328 A 73 TRP HH2 A 45 ILE HD1% 1.0 1.8 5.5 450 329 A 9 LEU HA A 12 PHE HB2 1.0 1.8 5.0 451 329 A 9 LEU HA A 12 PHE HB3 1.0 1.8 5.0 452 330 A 45 ILE HD1% A 74 LEU HA 1.0 1.8 5.5 453 331 A 45 ILE HD1% A 54 ASP HBy 1.0 1.8 6.5 454 332 A 74 LEU HG A 45 ILE HD1% 1.0 1.8 5.5 455 333 A 43 LEU HDy% A 45 ILE HD1% 1.0 1.8 6.0 456 334 A 45 ILE HD1% A 45 ILE HG2% 1.0 1.8 4.3 457 335 A 20 PHE H A 20 PHE HB2 1.0 1.8 3.5 458 335 A 20 PHE H A 20 PHE HB3 1.0 1.8 3.5 459 336 A 21 GLN H A 20 PHE HB2 1.0 1.8 5.2 460 336 A 21 GLN H A 20 PHE HB3 1.0 1.8 5.2 461 337 A 22 LEU H A 20 PHE HB2 1.0 1.8 5.2 462 337 A 22 LEU H A 20 PHE HB3 1.0 1.8 5.2 463 338 A 67 PHE HD% A 67 PHE HA 1.0 1.8 5.0 464 339 A 78 TYR HD% A 78 TYR HA 1.0 1.8 5.0 465 340 A 16 THR HB A 17 ASN HB2 1.0 1.8 5.0 466 340 A 16 THR HB A 17 ASN HB3 1.0 1.8 5.0 467 341 A 18 LYS HA A 20 PHE HB2 1.0 1.8 6.0 468 341 A 18 LYS HA A 20 PHE HB3 1.0 1.8 6.0 469 342 A 18 LYS HA A 17 ASN HB2 1.0 1.8 5.0 470 342 A 18 LYS HA A 17 ASN HB3 1.0 1.8 5.0 471 343 A 69 MET HGy A 68 ASN HB2 1.0 1.8 5.0 472 343 A 68 ASN HB3 A 69 MET HGy 1.0 1.8 5.0 473 344 A 17 ASN HB2 A 18 LYS HB2 1.0 1.8 6.0 474 344 A 17 ASN HB3 A 18 LYS HB2 1.0 1.8 6.0 475 344 A 18 LYS HB3 A 17 ASN HB2 1.0 1.8 6.0 476 344 A 18 LYS HB3 A 17 ASN HB3 1.0 1.8 6.0 477 345 A 17 ASN HB2 A 18 LYS HD2 1.0 1.8 6.0 478 345 A 18 LYS HD3 A 17 ASN HB2 1.0 1.8 6.0 479 345 A 17 ASN HB3 A 18 LYS HD3 1.0 1.8 6.0 480 345 A 17 ASN HB3 A 18 LYS HD2 1.0 1.8 6.0 481 346 A 78 TYR HA A 81 LEU HB2 1.0 1.8 5.0 482 346 A 81 LEU HB3 A 78 TYR HA 1.0 1.8 5.0 483 347 A 81 LEU HDx% A 78 TYR HA 1.0 1.8 5.5 484 348 A 81 LEU HDy% A 78 TYR HA 1.0 1.8 6.5 485 349 A 53 ILE HD1% A 51 ASN HBy 1.0 1.8 5.5 486 350 A 8 ASN H A 8 ASN HB2 1.0 1.8 5.2 487 350 A 8 ASN H A 8 ASN HB3 1.0 1.8 5.2 488 351 A 67 PHE H A 68 ASN HB2 1.0 1.8 5.2 489 351 A 67 PHE H A 68 ASN HB3 1.0 1.8 5.2 490 352 A 36 THR H A 35 TYR HB2 1.0 1.8 5.2 491 352 A 36 THR H A 35 TYR HB3 1.0 1.8 5.2 492 353 A 18 LYS H A 17 ASN HB2 1.0 1.8 5.2 493 353 A 18 LYS H A 17 ASN HB3 1.0 1.8 5.2 494 354 A 67 PHE HD% A 8 ASN HB2 1.0 1.8 5.0 495 354 A 67 PHE HD% A 8 ASN HB3 1.0 1.8 5.0 496 355 A 28 TYR HD% A 41 ILE HD1% 1.0 1.8 5.5 497 356 A 67 PHE HD% A 41 ILE HD1% 1.0 1.8 5.5 498 357 A 67 PHE HE% A 41 ILE HD1% 1.0 1.8 5.5 499 358 A 75 ASN HA A 78 TYR HBx 1.0 1.8 5.0 500 359 A 8 ASN HA A 67 PHE HB2 1.0 1.8 6.0 501 359 A 67 PHE HB3 A 8 ASN HA 1.0 1.8 6.0 502 360 A 41 ILE HA A 41 ILE HD1% 1.0 1.8 5.5 503 361 A 66 LEU HA A 68 ASN HB2 1.0 1.8 6.0 504 361 A 66 LEU HA A 68 ASN HB3 1.0 1.8 6.0 505 362 A 67 PHE HA A 68 ASN HB2 1.0 1.8 6.0 506 362 A 67 PHE HA A 68 ASN HB3 1.0 1.8 6.0 507 363 A 12 PHE HB3 A 67 PHE HB2 1.0 1.8 5.0 508 363 A 12 PHE HB2 A 67 PHE HB2 1.0 1.8 5.0 509 363 A 67 PHE HB3 A 12 PHE HB2 1.0 1.8 5.0 510 363 A 12 PHE HB3 A 67 PHE HB3 1.0 1.8 5.0 511 364 A 41 ILE HD1% A 28 TYR HB2 1.0 1.8 5.5 512 364 A 28 TYR HB3 A 41 ILE HD1% 1.0 1.8 5.5 513 365 A 78 TYR HBx A 79 ASP HB2 1.0 1.8 6.0 514 365 A 79 ASP HB3 A 78 TYR HBx 1.0 1.8 6.0 515 366 A 36 THR HG2% A 35 TYR HB2 1.0 1.8 5.5 516 366 A 36 THR HG2% A 35 TYR HB3 1.0 1.8 5.5 517 367 A 77 MET HGy A 78 TYR HBx 1.0 1.8 6.0 518 368 A 43 LEU HDx% A 41 ILE HD1% 1.0 1.8 6.0 519 369 A 41 ILE HG2% A 41 ILE HD1% 1.0 1.8 4.3 520 370 A 27 ILE H A 27 ILE HD1% 1.0 1.8 5.7 521 371 A 46 GLU HA A 53 ILE HB 1.0 1.8 5.0 522 372 A 27 ILE HA A 27 ILE HD1% 1.0 1.8 5.5 523 373 A 27 ILE HD1% A 44 ARG HDx 1.0 1.8 5.5 524 374 A 27 ILE HD1% A 44 ARG HDy 1.0 1.8 5.5 525 375 A 27 ILE HD1% A 46 GLU HB2 1.0 1.8 5.5 526 375 A 46 GLU HB3 A 27 ILE HD1% 1.0 1.8 5.5 527 376 A 45 ILE HG1y A 53 ILE HB 1.0 1.8 5.0 528 377 A 27 ILE HB A 27 ILE HD1% 1.0 1.8 5.5 529 378 A 27 ILE HD1% A 44 ARG HB2 1.0 1.8 5.5 530 378 A 44 ARG HB3 A 27 ILE HD1% 1.0 1.8 5.5 531 379 A 27 ILE HD1% A 44 ARG HG2 1.0 1.8 5.5 532 379 A 44 ARG HG3 A 27 ILE HD1% 1.0 1.8 5.5 533 380 A 27 ILE HG2% A 27 ILE HD1% 1.0 1.8 4.3 534 381 A 67 PHE H A 63 GLU HA 1.0 1.8 5.2 535 382 A 53 ILE H A 53 ILE HD1% 1.0 1.8 5.7 536 383 A 53 ILE HD1% A 47 ASP H 1.0 1.8 5.7 537 384 A 66 LEU H A 63 GLU HA 1.0 1.8 5.2 538 385 A 46 GLU HA A 53 ILE HD1% 1.0 1.8 5.5 539 386 A 53 ILE HD1% A 47 ASP HA 1.0 1.8 5.5 540 387 A 19 LEU HA A 18 LYS HA 1.0 1.8 6.0 541 388 A 53 ILE HA A 53 ILE HD1% 1.0 1.8 3.8 542 389 A 69 MET HGx A 69 MET HA 1.0 1.8 5.0 543 390 A 53 ILE HD1% A 51 ASN HBx 1.0 1.8 5.5 544 391 A 69 MET HGy A 69 MET HA 1.0 1.8 5.0 545 392 A 18 LYS HA A 21 GLN HBx 1.0 1.8 5.0 546 393 A 63 GLU HA A 63 GLU HG2 1.0 1.8 5.0 547 393 A 63 GLU HA A 63 GLU HG3 1.0 1.8 5.0 548 394 A 53 ILE HD1% A 46 GLU HB2 1.0 1.8 6.5 549 394 A 46 GLU HB3 A 53 ILE HD1% 1.0 1.8 6.5 550 395 A 53 ILE HD1% A 53 ILE HB 1.0 1.8 5.5 551 396 A 66 LEU HBy A 63 GLU HA 1.0 1.8 5.0 552 397 A 18 LYS HA A 18 LYS HG2 1.0 1.8 5.0 553 397 A 18 LYS HG3 A 18 LYS HA 1.0 1.8 5.0 554 398 A 53 ILE HG1x A 46 GLU HB2 1.0 1.8 5.0 555 398 A 53 ILE HG1x A 46 GLU HB3 1.0 1.8 5.0 556 399 A 81 LEU HDy% A 53 ILE HD1% 1.0 1.8 6.0 557 400 A 27 ILE H A 44 ARG HB2 1.0 1.8 5.2 558 400 A 27 ILE H A 44 ARG HB3 1.0 1.8 5.2 559 401 A 13 LYS HA A 16 THR HB 1.0 1.8 5.0 560 402 A 13 LYS HA A 9 LEU HB2 1.0 1.8 5.0 561 402 A 13 LYS HA A 9 LEU HB3 1.0 1.8 5.0 562 403 A 82 LYS HA A 82 LYS HB2 1.0 1.8 3.3 563 403 A 82 LYS HB3 A 82 LYS HA 1.0 1.8 3.3 564 404 A 82 LYS HA A 82 LYS HD2 1.0 1.8 5.0 565 404 A 82 LYS HD3 A 82 LYS HA 1.0 1.8 5.0 566 405 A 23 ASP H A 21 GLN HG2 1.0 1.8 6.2 567 405 A 21 GLN HG3 A 23 ASP H 1.0 1.8 6.2 568 406 A 73 TRP HE3 A 74 LEU HA 1.0 1.8 5.0 569 407 A 20 PHE HD% A 21 GLN HG2 1.0 1.8 5.0 570 407 A 20 PHE HD% A 21 GLN HG3 1.0 1.8 5.0 571 408 A 18 LYS HA A 21 GLN HG2 1.0 1.8 5.0 572 408 A 18 LYS HA A 21 GLN HG3 1.0 1.8 5.0 573 409 A 20 PHE HB2 A 21 GLN HG2 1.0 1.8 5.0 574 409 A 20 PHE HB3 A 21 GLN HG2 1.0 1.8 5.0 575 409 A 21 GLN HG3 A 20 PHE HB2 1.0 1.8 5.0 576 409 A 20 PHE HB3 A 21 GLN HG3 1.0 1.8 5.0 577 410 A 74 LEU HG A 74 LEU HA 1.0 1.8 5.0 578 411 A 42 ARG HB2 A 44 ARG HB2 1.0 1.8 5.0 579 411 A 42 ARG HB3 A 44 ARG HB2 1.0 1.8 5.0 580 411 A 44 ARG HB3 A 42 ARG HB2 1.0 1.8 5.0 581 411 A 42 ARG HB3 A 44 ARG HB3 1.0 1.8 5.0 582 412 A 77 MET HE% A 74 LEU HA 1.0 1.8 5.0 583 413 A 15 ALA HB% A 74 LEU HA 1.0 1.8 6.0 584 414 A 74 LEU HA A 74 LEU HDy% 1.0 1.8 5.5 585 415 A 77 MET HGx A 74 LEU HA 1.0 1.8 3.3 586 416 A 74 LEU HA A 74 LEU HDx% 1.0 1.8 5.5 587 417 A 66 LEU HA A 66 LEU HDy% 1.0 1.8 5.5 588 418 A 58 PHE H A 42 ARG HB2 1.0 1.8 5.2 589 418 A 42 ARG HB3 A 58 PHE H 1.0 1.8 5.2 590 419 A 26 VAL HB A 26 VAL H 1.0 1.8 5.2 591 420 A 26 VAL HB A 25 ALA HA 1.0 1.8 5.0 592 421 A 26 VAL HB A 27 ILE HA 1.0 1.8 6.0 593 422 A 69 MET HGy A 69 MET H 1.0 1.8 5.2 594 423 A 69 MET HGx A 68 ASN HB2 1.0 1.8 5.0 595 423 A 68 ASN HB3 A 69 MET HGx 1.0 1.8 5.0 596 424 A 9 LEU HB3 A 13 LYS HB2 1.0 1.8 5.0 597 424 A 9 LEU HB2 A 13 LYS HB2 1.0 1.8 5.0 598 424 A 13 LYS HB3 A 9 LEU HB2 1.0 1.8 5.0 599 424 A 9 LEU HB3 A 13 LYS HB3 1.0 1.8 5.0 600 425 A 81 LEU HG A 81 LEU HA 1.0 1.8 5.0 601 426 A 77 MET HE% A 77 MET HA 1.0 1.8 5.0 602 427 A 81 LEU HA A 80 GLN HB2 1.0 1.8 5.0 603 427 A 80 GLN HB3 A 81 LEU HA 1.0 1.8 5.0 604 428 A 24 LEU HA A 23 ASP HA 1.0 1.8 5.0 605 429 A 24 LEU H A 23 ASP HA 1.0 1.8 5.2 606 430 A 59 TYR HA A 59 TYR HD% 1.0 1.8 5.0 607 431 A 41 ILE H A 59 TYR HA 1.0 1.8 5.2 608 432 A 59 TYR HA A 66 LEU HDy% 1.0 1.8 5.5 609 433 A 66 LEU HG A 59 TYR HA 1.0 1.8 5.0 610 434 A 78 TYR HE% A 75 ASN HA 1.0 1.8 5.0 611 435 A 19 LEU H A 17 ASN HA 1.0 1.8 5.2 612 436 A 79 ASP HA A 82 LYS HD2 1.0 1.8 5.0 613 436 A 82 LYS HD3 A 79 ASP HA 1.0 1.8 5.0 614 437 A 79 ASP HA A 82 LYS HB2 1.0 1.8 3.3 615 437 A 82 LYS HB3 A 79 ASP HA 1.0 1.8 3.3 616 438 A 23 ASP H A 21 GLN HA 1.0 1.8 5.2 617 439 A 19 LEU HA A 24 LEU HDy% 1.0 1.8 5.5 618 440 A 48 ARG HA A 48 ARG HB2 1.0 1.8 3.3 619 440 A 48 ARG HB3 A 48 ARG HA 1.0 1.8 3.3 620 441 A 57 THR H A 56 SER HA 1.0 1.8 3.5 621 442 A 48 ARG HA A 48 ARG HD2 1.0 1.8 5.0 622 442 A 48 ARG HD3 A 48 ARG HA 1.0 1.8 5.0 623 443 A 76 HIS HA A 76 HIS HB2 1.0 1.8 3.3 624 443 A 76 HIS HA A 76 HIS HB3 1.0 1.8 3.3 625 444 A 55 THR HA A 56 SER H 1.0 1.8 5.2 626 445 A 55 THR HA A 44 ARG HA 1.0 1.8 5.0 627 446 A 55 THR HA A 44 ARG HB2 1.0 1.8 5.0 628 446 A 55 THR HA A 44 ARG HB3 1.0 1.8 5.0 629 447 A 55 THR HA A 55 THR HG2% 1.0 1.8 5.5 630 448 A 48 ARG HA A 48 ARG HG2 1.0 1.8 5.0 631 448 A 48 ARG HG3 A 48 ARG HA 1.0 1.8 5.0 632 449 A 55 THR HA A 45 ILE H 1.0 1.8 5.2 633 450 A 45 ILE HG2% A 45 ILE HA 1.0 1.8 3.8 634 451 A 46 GLU H A 45 ILE HA 1.0 1.8 3.5 635 452 A 45 ILE HD1% A 45 ILE HA 1.0 1.8 5.5 636 453 A 45 ILE HG1x A 45 ILE HA 1.0 1.8 5.0 637 454 A 45 ILE HG1y A 45 ILE HA 1.0 1.8 5.0 638 455 A 26 VAL HA A 45 ILE HA 1.0 1.8 5.0 639 456 A 27 ILE H A 45 ILE HA 1.0 1.8 5.2 640 457 A 53 ILE HG1x A 53 ILE HA 1.0 1.8 5.0 641 458 A 53 ILE HA A 54 ASP HA 1.0 1.8 5.0 642 459 A 71 THR HA A 71 THR HB 1.0 1.8 3.3 643 460 A 71 THR HA A 12 PHE HA 1.0 1.8 5.0 644 461 A 71 THR HA A 74 LEU H 1.0 1.8 5.2 645 462 A 55 THR HB A 44 ARG HG2 1.0 1.8 5.0 646 462 A 44 ARG HG3 A 55 THR HB 1.0 1.8 5.0 647 463 A 44 ARG HA A 55 THR HB 1.0 1.8 5.0 648 464 A 53 ILE H A 46 GLU HA 1.0 1.8 5.2 649 465 A 46 GLU HA A 53 ILE HG1x 1.0 1.8 5.0 650 466 A 81 LEU HA A 81 LEU HB2 1.0 1.8 3.3 651 466 A 81 LEU HB3 A 81 LEU HA 1.0 1.8 3.3 652 467 A 81 LEU HA A 84 TRP HB2 1.0 1.8 5.0 653 467 A 84 TRP HB3 A 81 LEU HA 1.0 1.8 5.0 654 468 A 18 LYS H A 15 ALA HA 1.0 1.8 5.2 655 469 A 15 ALA HA A 18 LYS HG2 1.0 1.8 5.0 656 469 A 18 LYS HG3 A 15 ALA HA 1.0 1.8 5.0 657 470 A 27 ILE H A 26 VAL HA 1.0 1.8 5.2 658 471 A 27 ILE H A 27 ILE HG1y 1.0 1.8 5.2 659 472 A 27 ILE H A 26 VAL HGx% 1.0 1.8 5.7 660 473 A 53 ILE H A 53 ILE HB 1.0 1.8 5.2 661 474 A 53 ILE H A 53 ILE HG1x 1.0 1.8 5.2 662 475 A 46 GLU H A 25 ALA H 1.0 1.8 5.4 663 476 A 64 ASP H A 63 GLU H 1.0 1.8 5.4 664 477 A 63 GLU H A 62 ASP HA 1.0 1.8 5.2 665 478 A 85 LYS H A 84 TRP HB2 1.0 1.8 5.2 666 478 A 84 TRP HB3 A 85 LYS H 1.0 1.8 5.2 667 479 A 46 GLU H A 46 GLU HB2 1.0 1.8 5.2 668 479 A 46 GLU HB3 A 46 GLU H 1.0 1.8 5.2 669 480 A 63 GLU H A 63 GLU HG2 1.0 1.8 5.2 670 480 A 63 GLU HG3 A 63 GLU H 1.0 1.8 5.2 671 481 A 53 ILE HG1x A 46 GLU H 1.0 1.8 5.2 672 482 A 53 ILE HG1y A 46 GLU H 1.0 1.8 6.2 673 483 A 45 ILE HG1x A 46 GLU H 1.0 1.8 6.2 674 484 A 12 PHE H A 11 ALA H 1.0 1.8 5.4 675 485 A 12 PHE H A 9 LEU H 1.0 1.8 6.4 676 486 A 58 PHE HD% A 58 PHE H 1.0 1.8 5.2 677 487 A 57 THR HA A 43 LEU H 1.0 1.8 5.2 678 488 A 57 THR HA A 58 PHE H 1.0 1.8 5.2 679 489 A 44 ARG HA A 45 ILE H 1.0 1.8 5.2 680 490 A 24 LEU HA A 25 ALA H 1.0 1.8 3.5 681 491 A 51 ASN HA A 52 LEU H 1.0 1.8 3.5 682 492 A 9 LEU HA A 12 PHE H 1.0 1.8 5.2 683 493 A 52 LEU H A 51 ASN HBx 1.0 1.8 5.2 684 494 A 12 PHE H A 12 PHE HB2 1.0 1.8 3.5 685 494 A 12 PHE HB3 A 12 PHE H 1.0 1.8 3.5 686 495 A 52 LEU H A 51 ASN HBy 1.0 1.8 5.2 687 496 A 52 LEU H A 52 LEU HBx 1.0 1.8 5.2 688 497 A 44 ARG H A 44 ARG HB2 1.0 1.8 5.2 689 497 A 44 ARG H A 44 ARG HB3 1.0 1.8 5.2 690 498 A 44 ARG H A 44 ARG HG2 1.0 1.8 6.2 691 498 A 44 ARG HG3 A 44 ARG H 1.0 1.8 6.2 692 499 A 24 LEU HBx A 25 ALA H 1.0 1.8 5.2 693 500 A 45 ILE H A 44 ARG HG2 1.0 1.8 5.2 694 500 A 44 ARG HG3 A 45 ILE H 1.0 1.8 5.2 695 501 A 52 LEU H A 52 LEU HBy 1.0 1.8 5.2 696 502 A 53 ILE HG1x A 52 LEU H 1.0 1.8 6.2 697 503 A 9 LEU H A 9 LEU HB2 1.0 1.8 5.2 698 503 A 9 LEU HB3 A 9 LEU H 1.0 1.8 5.2 699 504 A 9 LEU H A 9 LEU HG 1.0 1.8 5.2 700 505 A 10 ALA HB% A 9 LEU H 1.0 1.8 5.2 701 506 A 12 PHE H A 11 ALA HB% 1.0 1.8 5.2 702 507 A 57 THR HG2% A 58 PHE H 1.0 1.8 5.7 703 508 A 57 THR HG2% A 43 LEU H 1.0 1.8 5.7 704 509 A 45 ILE HD1% A 45 ILE H 1.0 1.8 5.7 705 510 A 9 LEU H A 10 ALA H 1.0 1.8 5.4 706 511 A 15 ALA H A 14 ALA H 1.0 1.8 5.4 707 512 A 21 GLN H A 20 PHE H 1.0 1.8 5.4 708 513 A 69 MET H A 68 ASN H 1.0 1.8 5.4 709 514 A 73 TRP H A 74 LEU H 1.0 1.8 5.4 710 515 A 65 VAL H A 64 ASP H 1.0 1.8 5.4 711 516 A 18 LYS H A 17 ASN H 1.0 1.8 5.4 712 517 A 66 LEU H A 65 VAL H 1.0 1.8 5.4 713 518 A 84 TRP H A 85 LYS H 1.0 1.8 5.4 714 519 A 73 TRP HD1 A 73 TRP H 1.0 1.8 6.2 715 520 A 19 LEU H A 17 ASN H 1.0 1.8 5.4 716 521 A 76 HIS HD2 A 76 HIS H 1.0 1.8 5.2 717 522 A 78 TYR H A 76 HIS HA 1.0 1.8 5.2 718 523 A 16 THR HB A 17 ASN H 1.0 1.8 5.2 719 524 A 84 TRP H A 81 LEU HA 1.0 1.8 5.2 720 525 A 9 LEU HA A 10 ALA H 1.0 1.8 5.2 721 526 A 9 LEU HA A 11 ALA H 1.0 1.8 5.2 722 527 A 18 LYS HA A 20 PHE H 1.0 1.8 6.2 723 528 A 84 TRP H A 84 TRP HB2 1.0 1.8 3.5 724 528 A 84 TRP H A 84 TRP HB3 1.0 1.8 3.5 725 529 A 65 VAL HA A 68 ASN H 1.0 1.8 5.2 726 530 A 73 TRP H A 73 TRP HB2 1.0 1.8 5.2 727 530 A 73 TRP HB3 A 73 TRP H 1.0 1.8 5.2 728 531 A 17 ASN H A 17 ASN HB2 1.0 1.8 5.2 729 531 A 17 ASN HB3 A 17 ASN H 1.0 1.8 5.2 730 532 A 68 ASN H A 68 ASN HB2 1.0 1.8 3.5 731 532 A 68 ASN HB3 A 68 ASN H 1.0 1.8 3.5 732 533 A 73 TRP H A 72 ASP HBx 1.0 1.8 5.2 733 534 A 73 TRP H A 72 ASP HBy 1.0 1.8 5.2 734 535 A 65 VAL H A 64 ASP HBx 1.0 1.8 5.2 735 536 A 66 LEU H A 66 LEU HBx 1.0 1.8 5.2 736 537 A 45 ILE H A 44 ARG HB2 1.0 1.8 5.2 737 537 A 44 ARG HB3 A 45 ILE H 1.0 1.8 5.2 738 538 A 45 ILE HG1y A 45 ILE H 1.0 1.8 5.2 739 539 A 41 ILE H A 41 ILE HB 1.0 1.8 5.2 740 540 A 10 ALA H A 9 LEU HB2 1.0 1.8 5.2 741 540 A 9 LEU HB3 A 10 ALA H 1.0 1.8 5.2 742 541 A 10 ALA HB% A 10 ALA H 1.0 1.8 3.5 743 542 A 14 ALA HB% A 14 ALA H 1.0 1.8 3.5 744 543 A 66 LEU H A 65 VAL HB 1.0 1.8 5.2 745 544 A 15 ALA HB% A 15 ALA H 1.0 1.8 3.5 746 545 A 65 VAL H A 65 VAL HB 1.0 1.8 5.2 747 546 A 16 THR HG2% A 17 ASN H 1.0 1.8 5.7 748 547 A 48 ARG H A 51 ASN H 1.0 1.8 6.4 749 548 A 76 HIS H A 75 ASN H 1.0 1.8 5.4 750 549 A 13 LYS H A 14 ALA H 1.0 1.8 5.4 751 550 A 51 ASN H A 50 GLY H 1.0 1.8 5.4 752 551 A 66 LEU H A 67 PHE H 1.0 1.8 5.4 753 552 A 82 LYS H A 81 LEU H 1.0 1.8 5.4 754 553 A 21 GLN H A 18 LYS H 1.0 1.8 6.4 755 554 A 12 PHE H A 13 LYS H 1.0 1.8 5.4 756 555 A 12 PHE HD% A 13 LYS H 1.0 1.8 5.2 757 556 A 30 ASP H A 29 ASP HA 1.0 1.8 5.2 758 557 A 30 ASP H A 41 ILE HA 1.0 1.8 6.2 759 558 A 26 VAL H A 25 ALA HA 1.0 1.8 3.5 760 559 A 76 HIS H A 76 HIS HB2 1.0 1.8 5.2 761 559 A 76 HIS H A 76 HIS HB3 1.0 1.8 5.2 762 560 A 13 LYS H A 12 PHE HB2 1.0 1.8 5.2 763 560 A 12 PHE HB3 A 13 LYS H 1.0 1.8 5.2 764 561 A 51 ASN H A 51 ASN HBx 1.0 1.8 5.2 765 562 A 78 TYR H A 78 TYR HBx 1.0 1.8 5.2 766 563 A 69 MET H A 68 ASN HB2 1.0 1.8 5.2 767 563 A 68 ASN HB3 A 69 MET H 1.0 1.8 5.2 768 564 A 69 MET HGx A 69 MET H 1.0 1.8 5.2 769 565 A 51 ASN H A 51 ASN HBy 1.0 1.8 5.2 770 566 A 13 LYS H A 9 LEU HB2 1.0 1.8 5.2 771 566 A 9 LEU HB3 A 13 LYS H 1.0 1.8 5.2 772 567 A 13 LYS H A 13 LYS HG2 1.0 1.8 5.2 773 567 A 13 LYS HG3 A 13 LYS H 1.0 1.8 5.2 774 568 A 82 LYS H A 82 LYS HB2 1.0 1.8 5.2 775 568 A 82 LYS HB3 A 82 LYS H 1.0 1.8 5.2 776 569 A 82 LYS H A 82 LYS HD2 1.0 1.8 5.2 777 569 A 82 LYS HD3 A 82 LYS H 1.0 1.8 5.2 778 570 A 78 TYR H A 77 MET HGx 1.0 1.8 5.2 779 571 A 82 LYS H A 82 LYS HG2 1.0 1.8 5.2 780 571 A 82 LYS HG3 A 82 LYS H 1.0 1.8 5.2 781 572 A 26 VAL H A 26 VAL HGx% 1.0 1.8 5.7 782 573 A 47 ASP H A 51 ASN H 1.0 1.8 5.4 783 574 A 58 PHE H A 59 TYR H 1.0 1.8 5.4 784 575 A 78 TYR H A 75 ASN H 1.0 1.8 5.4 785 576 A 77 MET H A 76 HIS H 1.0 1.8 5.4 786 577 A 69 MET H A 70 CYS H 1.0 1.8 5.4 787 578 A 71 THR H A 70 CYS H 1.0 1.8 5.4 788 579 A 19 LEU H A 20 PHE H 1.0 1.8 5.4 789 580 A 21 GLN H A 22 LEU H 1.0 1.8 5.4 790 581 A 36 THR H A 37 ARG H 1.0 1.8 5.4 791 582 A 35 TYR HD% A 37 ARG H 1.0 1.8 6.2 792 583 A 22 LEU H A 24 LEU H 1.0 1.8 5.4 793 584 A 18 LYS H A 19 LEU H 1.0 1.8 5.4 794 585 A 59 TYR HD% A 59 TYR H 1.0 1.8 5.2 795 586 A 46 GLU HA A 47 ASP H 1.0 1.8 3.5 796 587 A 71 THR H A 68 ASN HA 1.0 1.8 5.2 797 588 A 59 TYR H A 58 PHE HA 1.0 1.8 3.5 798 589 A 79 ASP HA A 82 LYS H 1.0 1.8 5.2 799 590 A 19 LEU HA A 22 LEU H 1.0 1.8 5.2 800 591 A 71 THR H A 71 THR HB 1.0 1.8 5.2 801 592 A 77 MET H A 74 LEU HA 1.0 1.8 5.2 802 593 A 77 MET H A 76 HIS HB2 1.0 1.8 5.2 803 593 A 77 MET H A 76 HIS HB3 1.0 1.8 5.2 804 594 A 18 LYS HA A 21 GLN H 1.0 1.8 5.2 805 595 A 67 PHE HA A 70 CYS H 1.0 1.8 5.2 806 596 A 71 THR H A 70 CYS HBx 1.0 1.8 5.2 807 597 A 21 GLN H A 21 GLN HG2 1.0 1.8 5.2 808 597 A 21 GLN H A 21 GLN HG3 1.0 1.8 5.2 809 598 A 83 ASP H A 83 ASP HBx 1.0 1.8 5.2 810 599 A 74 LEU HG A 74 LEU H 1.0 1.8 5.2 811 600 A 47 ASP H A 46 GLU HB2 1.0 1.8 5.2 812 600 A 46 GLU HB3 A 47 ASP H 1.0 1.8 5.2 813 601 A 83 ASP H A 83 ASP HBy 1.0 1.8 5.2 814 602 A 21 GLN HBy A 22 LEU H 1.0 1.8 5.2 815 603 A 22 LEU HBy A 22 LEU H 1.0 1.8 3.5 816 604 A 19 LEU H A 19 LEU HB2 1.0 1.8 5.2 817 604 A 19 LEU HB3 A 19 LEU H 1.0 1.8 5.2 818 605 A 71 THR H A 71 THR HG2% 1.0 1.8 5.7 819 606 A 77 MET H A 77 MET HE% 1.0 1.8 5.2 820 607 A 77 MET H A 77 MET HB2 1.0 1.8 5.2 821 607 A 77 MET H A 77 MET HB3 1.0 1.8 5.2 822 608 A 77 MET H A 77 MET HGy 1.0 1.8 5.2 823 609 A 53 ILE HG1x A 47 ASP H 1.0 1.8 5.2 824 610 A 83 ASP H A 82 LYS HB2 1.0 1.8 5.2 825 610 A 82 LYS HB3 A 83 ASP H 1.0 1.8 5.2 826 611 A 83 ASP H A 82 LYS HD2 1.0 1.8 5.2 827 611 A 82 LYS HD3 A 83 ASP H 1.0 1.8 5.2 828 612 A 81 LEU HG A 81 LEU H 1.0 1.8 5.2 829 613 A 81 LEU H A 81 LEU HB2 1.0 1.8 3.5 830 613 A 81 LEU HB3 A 81 LEU H 1.0 1.8 3.5 831 614 A 22 LEU HBx A 22 LEU H 1.0 1.8 5.2 832 615 A 77 MET HGx A 74 LEU H 1.0 1.8 6.2 833 616 A 77 MET H A 77 MET HGx 1.0 1.8 5.2 834 617 A 81 LEU HDy% A 81 LEU H 1.0 1.8 5.7 835 618 A 22 LEU H A 22 LEU HDy% 1.0 1.8 5.7 836 619 A 57 THR HG2% A 57 THR H 1.0 1.8 5.7 837 620 A 67 PHE H A 68 ASN H 1.0 1.8 5.4 838 621 A 78 TYR H A 79 ASP H 1.0 1.8 5.4 839 622 A 81 LEU H A 80 GLN H 1.0 1.8 5.4 840 623 A 36 THR H A 35 TYR H 1.0 1.8 5.4 841 624 A 24 LEU H A 23 ASP H 1.0 1.8 5.4 842 625 A 82 LYS H A 80 GLN H 1.0 1.8 5.4 843 626 A 67 PHE HD% A 67 PHE H 1.0 1.8 5.2 844 627 A 78 TYR HD% A 79 ASP H 1.0 1.8 5.2 845 628 A 23 ASP H A 23 ASP HA 1.0 1.8 3.5 846 629 A 79 ASP H A 76 HIS HA 1.0 1.8 6.2 847 630 A 48 ARG H A 47 ASP HBx 1.0 1.8 5.2 848 631 A 77 MET HA A 80 GLN H 1.0 1.8 5.2 849 632 A 35 TYR H A 35 TYR HB2 1.0 1.8 3.5 850 632 A 35 TYR HB3 A 35 TYR H 1.0 1.8 3.5 851 633 A 67 PHE H A 67 PHE HB2 1.0 1.8 5.2 852 633 A 67 PHE HB3 A 67 PHE H 1.0 1.8 5.2 853 634 A 79 ASP H A 78 TYR HBx 1.0 1.8 5.2 854 635 A 79 ASP H A 79 ASP HB2 1.0 1.8 3.5 855 635 A 79 ASP HB3 A 79 ASP H 1.0 1.8 3.5 856 636 A 80 GLN H A 79 ASP HB2 1.0 1.8 5.2 857 636 A 79 ASP HB3 A 80 GLN H 1.0 1.8 5.2 858 637 A 48 ARG H A 48 ARG HB2 1.0 1.8 3.5 859 637 A 48 ARG HB3 A 48 ARG H 1.0 1.8 3.5 860 638 A 66 LEU HBx A 67 PHE H 1.0 1.8 5.2 861 639 A 22 LEU HBy A 24 LEU H 1.0 1.8 5.2 862 640 A 48 ARG H A 48 ARG HG2 1.0 1.8 5.2 863 640 A 48 ARG HG3 A 48 ARG H 1.0 1.8 5.2 864 641 A 34 ALA HB% A 35 TYR H 1.0 1.8 5.2 865 642 A 24 LEU HG A 24 LEU H 1.0 1.8 5.2 866 643 A 24 LEU HDy% A 24 LEU H 1.0 1.8 5.7 867 644 A 53 ILE H A 54 ASP H 1.0 1.8 5.4 868 645 A 48 ARG H A 49 SER H 1.0 1.8 5.4 869 646 A 49 SER H A 51 ASN H 1.0 1.8 5.4 870 647 A 45 ILE H A 54 ASP H 1.0 1.8 5.4 871 648 A 22 LEU H A 23 ASP H 1.0 1.8 5.4 872 649 A 52 LEU HA A 54 ASP H 1.0 1.8 5.2 873 650 A 49 SER H A 49 SER HBy 1.0 1.8 5.2 874 651 A 49 SER H A 48 ARG HB2 1.0 1.8 5.2 875 651 A 48 ARG HB3 A 49 SER H 1.0 1.8 5.2 876 652 A 54 ASP H A 45 ILE HB 1.0 1.8 5.2 877 653 A 54 ASP H A 53 ILE HB 1.0 1.8 5.2 878 654 A 53 ILE HG1x A 54 ASP H 1.0 1.8 5.2 879 655 A 53 ILE HG2% A 54 ASP H 1.0 1.8 5.7 880 656 A 54 ASP H A 53 ILE HD1% 1.0 1.8 5.7 881 657 A 15 ALA H A 16 THR H 1.0 1.8 5.4 882 658 A 16 THR HB A 16 THR H 1.0 1.8 5.2 883 659 A 13 LYS HA A 16 THR H 1.0 1.8 5.2 884 660 A 15 ALA HB% A 16 THR H 1.0 1.8 5.2 885 661 A 16 THR HG2% A 16 THR H 1.0 1.8 5.7 886 662 A 10 ALA H A 7 GLY HAy 1.0 1.8 6.2 887 662 A 10 ALA H A 7 GLY HAx 1.0 1.8 6.2 888 663 A 10 ALA HB% A 7 GLY HAy 1.0 1.8 6.0 889 663 A 10 ALA HB% A 7 GLY HAx 1.0 1.8 6.0 890 664 A 9 LEU HA A 9 LEU HDy% 1.0 1.8 5.0 891 664 A 9 LEU HA A 9 LEU HDx% 1.0 1.8 5.0 892 665 A 9 LEU HDx% A 12 PHE HB2 1.0 1.8 5.0 893 665 A 9 LEU HDy% A 12 PHE HB2 1.0 1.8 5.0 894 665 A 12 PHE HB3 A 9 LEU HDy% 1.0 1.8 5.0 895 665 A 12 PHE HB3 A 9 LEU HDx% 1.0 1.8 5.0 896 666 A 12 PHE HD% A 9 LEU HDy% 1.0 1.8 5.0 897 666 A 12 PHE HD% A 9 LEU HDx% 1.0 1.8 5.0 898 667 A 13 LYS HA A 9 LEU HDy% 1.0 1.8 5.0 899 667 A 13 LYS HA A 9 LEU HDx% 1.0 1.8 5.0 900 668 A 9 LEU HDx% A 13 LYS HB2 1.0 1.8 5.0 901 668 A 9 LEU HDy% A 13 LYS HB2 1.0 1.8 5.0 902 668 A 13 LYS HB3 A 9 LEU HDy% 1.0 1.8 5.0 903 668 A 13 LYS HB3 A 9 LEU HDx% 1.0 1.8 5.0 904 669 A 9 LEU HDx% A 13 LYS HD2 1.0 1.8 5.0 905 669 A 9 LEU HDy% A 13 LYS HD2 1.0 1.8 5.0 906 669 A 13 LYS HD3 A 9 LEU HDy% 1.0 1.8 5.0 907 669 A 9 LEU HDx% A 13 LYS HD3 1.0 1.8 5.0 908 670 A 9 LEU HDy% A 13 LYS HE2 1.0 1.8 5.0 909 670 A 13 LYS HE3 A 9 LEU HDy% 1.0 1.8 5.0 910 670 A 13 LYS HE3 A 9 LEU HDx% 1.0 1.8 5.0 911 670 A 9 LEU HDx% A 13 LYS HE2 1.0 1.8 5.0 912 671 A 9 LEU HDy% A 67 PHE HB2 1.0 1.8 5.0 913 671 A 9 LEU HDx% A 67 PHE HB2 1.0 1.8 5.0 914 671 A 67 PHE HB3 A 9 LEU HDy% 1.0 1.8 5.0 915 671 A 67 PHE HB3 A 9 LEU HDx% 1.0 1.8 5.0 916 672 A 67 PHE HD% A 9 LEU HDy% 1.0 1.8 6.0 917 672 A 67 PHE HD% A 9 LEU HDx% 1.0 1.8 6.0 918 673 A 12 PHE HD% A 70 CYS HBy 1.0 1.8 6.0 919 673 A 12 PHE HD% A 70 CYS HBx 1.0 1.8 6.0 920 674 A 12 PHE HD% A 74 LEU HDy% 1.0 1.8 5.0 921 674 A 12 PHE HD% A 74 LEU HDx% 1.0 1.8 5.0 922 675 A 12 PHE HE% A 70 CYS HBy 1.0 1.8 5.0 923 675 A 12 PHE HE% A 70 CYS HBx 1.0 1.8 5.0 924 676 A 12 PHE HE% A 74 LEU HDy% 1.0 1.8 5.0 925 676 A 12 PHE HE% A 74 LEU HDx% 1.0 1.8 5.0 926 677 A 15 ALA HB% A 19 LEU HD21 1.0 1.8 5.0 927 677 A 15 ALA HB% A 19 LEU HD11 1.0 1.8 5.0 928 678 A 15 ALA HB% A 74 LEU HBx 1.0 1.8 5.0 929 678 A 15 ALA HB% A 74 LEU HBy 1.0 1.8 5.0 930 679 A 15 ALA HB% A 74 LEU HDy% 1.0 1.8 3.3 931 679 A 15 ALA HB% A 74 LEU HDx% 1.0 1.8 3.3 932 680 A 16 THR H A 19 LEU HD21 1.0 1.8 5.2 933 680 A 16 THR H A 19 LEU HD11 1.0 1.8 5.2 934 681 A 16 THR H A 74 LEU HDy% 1.0 1.8 5.2 935 681 A 16 THR H A 74 LEU HDx% 1.0 1.8 5.2 936 682 A 16 THR HA A 19 LEU HD21 1.0 1.8 5.0 937 682 A 16 THR HA A 19 LEU HD11 1.0 1.8 5.0 938 683 A 16 THR HG2% A 19 LEU HD21 1.0 1.8 5.5 939 683 A 16 THR HG2% A 19 LEU HD11 1.0 1.8 5.5 940 684 A 18 LYS HG2 A 19 LEU HD21 1.0 1.8 6.0 941 684 A 18 LYS HG3 A 19 LEU HD21 1.0 1.8 6.0 942 684 A 19 LEU HD11 A 18 LYS HG2 1.0 1.8 6.0 943 684 A 18 LYS HG3 A 19 LEU HD11 1.0 1.8 6.0 944 685 A 19 LEU H A 19 LEU HD21 1.0 1.8 5.2 945 685 A 19 LEU H A 19 LEU HD11 1.0 1.8 5.2 946 686 A 19 LEU HA A 19 LEU HD21 1.0 1.8 5.0 947 686 A 19 LEU HA A 19 LEU HD11 1.0 1.8 5.0 948 687 A 24 LEU HDx% A 19 LEU HD21 1.0 1.8 5.5 949 687 A 24 LEU HDx% A 19 LEU HD11 1.0 1.8 5.5 950 688 A 25 ALA HB% A 19 LEU HD21 1.0 1.8 5.0 951 688 A 25 ALA HB% A 19 LEU HD11 1.0 1.8 5.0 952 689 A 26 VAL H A 19 LEU HD21 1.0 1.8 5.2 953 689 A 26 VAL H A 19 LEU HD11 1.0 1.8 5.2 954 690 A 26 VAL HB A 19 LEU HD21 1.0 1.8 5.0 955 690 A 26 VAL HB A 19 LEU HD11 1.0 1.8 5.0 956 691 A 78 TYR HE% A 19 LEU HD21 1.0 1.8 5.0 957 691 A 78 TYR HE% A 19 LEU HD11 1.0 1.8 5.0 958 692 A 22 LEU H A 22 LEU HDy% 1.0 1.8 5.2 959 692 A 22 LEU H A 22 LEU HDx% 1.0 1.8 5.2 960 693 A 22 LEU HA A 22 LEU HDy% 1.0 1.8 3.3 961 693 A 22 LEU HDx% A 22 LEU HA 1.0 1.8 3.3 962 694 A 24 LEU HBy A 22 LEU HDy% 1.0 1.8 5.0 963 694 A 24 LEU HBy A 22 LEU HDx% 1.0 1.8 5.0 964 695 A 24 LEU HG A 22 LEU HDy% 1.0 1.8 5.0 965 695 A 24 LEU HG A 22 LEU HDx% 1.0 1.8 5.0 966 696 A 24 LEU HDx% A 22 LEU HDy% 1.0 1.8 5.5 967 696 A 24 LEU HDx% A 22 LEU HDx% 1.0 1.8 5.5 968 697 A 24 LEU HDy% A 22 LEU HDy% 1.0 1.8 3.8 969 697 A 24 LEU HDy% A 22 LEU HDx% 1.0 1.8 3.8 970 698 A 78 TYR HBy A 22 LEU HDy% 1.0 1.8 5.0 971 698 A 78 TYR HBy A 22 LEU HDx% 1.0 1.8 5.0 972 699 A 78 TYR HD% A 22 LEU HDy% 1.0 1.8 5.0 973 699 A 78 TYR HD% A 22 LEU HDx% 1.0 1.8 5.0 974 700 A 78 TYR HE% A 22 LEU HDy% 1.0 1.8 5.0 975 700 A 78 TYR HE% A 22 LEU HDx% 1.0 1.8 5.0 976 701 A 81 LEU HA A 22 LEU HDy% 1.0 1.8 5.0 977 701 A 81 LEU HA A 22 LEU HDx% 1.0 1.8 5.0 978 702 A 22 LEU HDx% A 81 LEU HB2 1.0 1.8 3.3 979 702 A 22 LEU HDy% A 81 LEU HB2 1.0 1.8 3.3 980 702 A 81 LEU HB3 A 22 LEU HDy% 1.0 1.8 3.3 981 702 A 81 LEU HB3 A 22 LEU HDx% 1.0 1.8 3.3 982 703 A 81 LEU HG A 22 LEU HDy% 1.0 1.8 5.0 983 703 A 81 LEU HG A 22 LEU HDx% 1.0 1.8 5.0 984 704 A 81 LEU HDx% A 22 LEU HDy% 1.0 1.8 3.8 985 704 A 81 LEU HDx% A 22 LEU HDx% 1.0 1.8 3.8 986 705 A 82 LYS H A 22 LEU HDy% 1.0 1.8 5.2 987 705 A 82 LYS H A 22 LEU HDx% 1.0 1.8 5.2 988 706 A 82 LYS HA A 22 LEU HDy% 1.0 1.8 5.0 989 706 A 82 LYS HA A 22 LEU HDx% 1.0 1.8 5.0 990 707 A 22 LEU HDx% A 82 LYS HB2 1.0 1.8 5.0 991 707 A 22 LEU HDy% A 82 LYS HB2 1.0 1.8 5.0 992 707 A 82 LYS HB3 A 22 LEU HDy% 1.0 1.8 5.0 993 707 A 82 LYS HB3 A 22 LEU HDx% 1.0 1.8 5.0 994 708 A 22 LEU HDy% A 82 LYS HE2 1.0 1.8 5.0 995 708 A 22 LEU HDx% A 82 LYS HE2 1.0 1.8 5.0 996 708 A 82 LYS HE3 A 22 LEU HDy% 1.0 1.8 5.0 997 708 A 82 LYS HE3 A 22 LEU HDx% 1.0 1.8 5.0 998 709 A 26 VAL H A 26 VAL HGy% 1.0 1.8 5.2 999 709 A 26 VAL H A 26 VAL HGx% 1.0 1.8 5.2 1000 710 A 27 ILE H A 26 VAL HGy% 1.0 1.8 5.2 1001 710 A 27 ILE H A 26 VAL HGx% 1.0 1.8 5.2 1002 711 A 28 TYR HA A 26 VAL HGy% 1.0 1.8 5.0 1003 711 A 28 TYR HA A 26 VAL HGx% 1.0 1.8 5.0 1004 712 A 26 VAL HGx% A 28 TYR HB2 1.0 1.8 6.0 1005 712 A 26 VAL HGy% A 28 TYR HB2 1.0 1.8 6.0 1006 712 A 28 TYR HB3 A 26 VAL HGy% 1.0 1.8 6.0 1007 712 A 28 TYR HB3 A 26 VAL HGx% 1.0 1.8 6.0 1008 713 A 28 TYR HD% A 26 VAL HGy% 1.0 1.8 5.0 1009 713 A 28 TYR HD% A 26 VAL HGx% 1.0 1.8 5.0 1010 714 A 43 LEU HBx A 26 VAL HGy% 1.0 1.8 5.0 1011 714 A 43 LEU HBx A 26 VAL HGx% 1.0 1.8 5.0 1012 715 A 43 LEU HG A 26 VAL HGy% 1.0 1.8 3.3 1013 715 A 43 LEU HG A 26 VAL HGx% 1.0 1.8 3.3 1014 716 A 43 LEU HDx% A 26 VAL HGy% 1.0 1.8 3.8 1015 716 A 43 LEU HDx% A 26 VAL HGx% 1.0 1.8 3.8 1016 717 A 43 LEU HDy% A 26 VAL HGy% 1.0 1.8 5.5 1017 717 A 43 LEU HDy% A 26 VAL HGx% 1.0 1.8 5.5 1018 718 A 26 VAL HGx% A 44 ARG HB2 1.0 1.8 5.0 1019 718 A 26 VAL HGy% A 44 ARG HB2 1.0 1.8 5.0 1020 718 A 44 ARG HB3 A 26 VAL HGy% 1.0 1.8 5.0 1021 718 A 44 ARG HB3 A 26 VAL HGx% 1.0 1.8 5.0 1022 719 A 45 ILE H A 26 VAL HGy% 1.0 1.8 5.2 1023 719 A 45 ILE H A 26 VAL HGx% 1.0 1.8 5.2 1024 720 A 45 ILE HA A 26 VAL HGy% 1.0 1.8 5.0 1025 720 A 45 ILE HA A 26 VAL HGx% 1.0 1.8 5.0 1026 721 A 45 ILE HD1% A 26 VAL HGy% 1.0 1.8 5.5 1027 721 A 45 ILE HD1% A 26 VAL HGx% 1.0 1.8 5.5 1028 722 A 26 VAL HGy% A 74 LEU HBx 1.0 1.8 6.0 1029 722 A 74 LEU HBy A 26 VAL HGy% 1.0 1.8 6.0 1030 722 A 74 LEU HBy A 26 VAL HGx% 1.0 1.8 6.0 1031 722 A 26 VAL HGx% A 74 LEU HBx 1.0 1.8 6.0 1032 723 A 74 LEU HG A 26 VAL HGy% 1.0 1.8 5.0 1033 723 A 74 LEU HG A 26 VAL HGx% 1.0 1.8 5.0 1034 724 A 26 VAL HGy% A 74 LEU HDy% 1.0 1.8 5.0 1035 724 A 74 LEU HDx% A 26 VAL HGy% 1.0 1.8 5.0 1036 724 A 74 LEU HDx% A 26 VAL HGx% 1.0 1.8 5.0 1037 724 A 26 VAL HGx% A 74 LEU HDy% 1.0 1.8 5.0 1038 725 A 27 ILE H A 27 ILE HG1x 1.0 1.8 5.7 1039 725 A 27 ILE H A 27 ILE HG1y 1.0 1.8 5.7 1040 726 A 27 ILE HA A 27 ILE HG1x 1.0 1.8 5.5 1041 726 A 27 ILE HA A 27 ILE HG1y 1.0 1.8 5.5 1042 727 A 27 ILE HG2% A 27 ILE HG1x 1.0 1.8 4.3 1043 727 A 27 ILE HG2% A 27 ILE HG1y 1.0 1.8 4.3 1044 728 A 27 ILE HG2% A 44 ARG HDy 1.0 1.8 5.5 1045 728 A 27 ILE HG2% A 44 ARG HDx 1.0 1.8 5.5 1046 729 A 27 ILE HG1x A 44 ARG HB2 1.0 1.8 5.5 1047 729 A 27 ILE HG1y A 44 ARG HB2 1.0 1.8 5.5 1048 729 A 44 ARG HB3 A 27 ILE HG1x 1.0 1.8 5.5 1049 729 A 44 ARG HB3 A 27 ILE HG1y 1.0 1.8 5.5 1050 730 A 27 ILE HG1y A 44 ARG HG2 1.0 1.8 5.5 1051 730 A 27 ILE HG1x A 44 ARG HG2 1.0 1.8 5.5 1052 730 A 44 ARG HG3 A 27 ILE HG1x 1.0 1.8 5.5 1053 730 A 44 ARG HG3 A 27 ILE HG1y 1.0 1.8 5.5 1054 731 A 27 ILE HG1x A 44 ARG HDy 1.0 1.8 5.5 1055 731 A 27 ILE HG1y A 44 ARG HDy 1.0 1.8 5.5 1056 731 A 44 ARG HDx A 27 ILE HG1x 1.0 1.8 5.5 1057 731 A 27 ILE HG1y A 44 ARG HDx 1.0 1.8 5.5 1058 732 A 27 ILE HG1y A 46 GLU HB2 1.0 1.8 6.5 1059 732 A 46 GLU HB3 A 27 ILE HG1x 1.0 1.8 6.5 1060 732 A 46 GLU HB3 A 27 ILE HG1y 1.0 1.8 6.5 1061 732 A 27 ILE HG1x A 46 GLU HB2 1.0 1.8 6.5 1062 733 A 27 ILE HD1% A 44 ARG HDy 1.0 1.8 5.5 1063 733 A 27 ILE HD1% A 44 ARG HDx 1.0 1.8 5.5 1064 734 A 29 ASP H A 29 ASP HBy 1.0 1.8 5.2 1065 734 A 29 ASP H A 29 ASP HBx 1.0 1.8 5.2 1066 735 A 29 ASP HBx A 42 ARG HB2 1.0 1.8 5.0 1067 735 A 29 ASP HBy A 42 ARG HB2 1.0 1.8 5.0 1068 735 A 42 ARG HB3 A 29 ASP HBy 1.0 1.8 5.0 1069 735 A 42 ARG HB3 A 29 ASP HBx 1.0 1.8 5.0 1070 736 A 29 ASP HBx A 42 ARG HD2 1.0 1.8 5.0 1071 736 A 29 ASP HBy A 42 ARG HD2 1.0 1.8 5.0 1072 736 A 42 ARG HD3 A 29 ASP HBy 1.0 1.8 5.0 1073 736 A 42 ARG HD3 A 29 ASP HBx 1.0 1.8 5.0 1074 737 A 41 ILE H A 41 ILE HG1y 1.0 1.8 5.7 1075 737 A 41 ILE H A 41 ILE HG1x 1.0 1.8 5.7 1076 738 A 41 ILE HB A 58 PHE HBy 1.0 1.8 6.0 1077 738 A 41 ILE HB A 58 PHE HBx 1.0 1.8 6.0 1078 739 A 41 ILE HB A 66 LEU HDy% 1.0 1.8 5.0 1079 739 A 41 ILE HB A 66 LEU HDx% 1.0 1.8 5.0 1080 740 A 41 ILE HG2% A 58 PHE HBy 1.0 1.8 5.5 1081 740 A 41 ILE HG2% A 58 PHE HBx 1.0 1.8 5.5 1082 741 A 43 LEU HBx A 56 SER HBx 1.0 1.8 5.0 1083 741 A 43 LEU HBx A 56 SER HBy 1.0 1.8 5.0 1084 742 A 43 LEU HBy A 56 SER HBx 1.0 1.8 5.0 1085 742 A 43 LEU HBy A 56 SER HBy 1.0 1.8 5.0 1086 743 A 43 LEU HDx% A 70 CYS HBy 1.0 1.8 5.5 1087 743 A 43 LEU HDx% A 70 CYS HBx 1.0 1.8 5.5 1088 744 A 43 LEU HDx% A 74 LEU HDy% 1.0 1.8 5.5 1089 744 A 43 LEU HDx% A 74 LEU HDx% 1.0 1.8 5.5 1090 745 A 43 LEU HDy% A 56 SER HBx 1.0 1.8 5.5 1091 745 A 43 LEU HDy% A 56 SER HBy 1.0 1.8 5.5 1092 746 A 43 LEU HDy% A 70 CYS HBy 1.0 1.8 5.5 1093 746 A 43 LEU HDy% A 70 CYS HBx 1.0 1.8 5.5 1094 747 A 43 LEU HDy% A 74 LEU HDy% 1.0 1.8 5.5 1095 747 A 43 LEU HDy% A 74 LEU HDx% 1.0 1.8 5.5 1096 748 A 55 THR HG2% A 44 ARG HDy 1.0 1.8 5.5 1097 748 A 55 THR HG2% A 44 ARG HDx 1.0 1.8 5.5 1098 749 A 45 ILE HG1x A 56 SER HBx 1.0 1.8 6.0 1099 749 A 45 ILE HG1x A 56 SER HBy 1.0 1.8 6.0 1100 750 A 45 ILE HD1% A 54 ASP HBy 1.0 1.8 5.5 1101 750 A 45 ILE HD1% A 54 ASP HBx 1.0 1.8 5.5 1102 751 A 45 ILE HD1% A 56 SER HBx 1.0 1.8 6.5 1103 751 A 45 ILE HD1% A 56 SER HBy 1.0 1.8 6.5 1104 752 A 45 ILE HD1% A 74 LEU HDy% 1.0 1.8 5.5 1105 752 A 45 ILE HD1% A 74 LEU HDx% 1.0 1.8 5.5 1106 753 A 46 GLU HB3 A 47 ASP HBy 1.0 1.8 5.0 1107 753 A 46 GLU HB2 A 47 ASP HBy 1.0 1.8 5.0 1108 753 A 47 ASP HBx A 46 GLU HB2 1.0 1.8 5.0 1109 753 A 46 GLU HB3 A 47 ASP HBx 1.0 1.8 5.0 1110 754 A 46 GLU HB3 A 52 LEU HBy 1.0 1.8 5.0 1111 754 A 46 GLU HB2 A 52 LEU HBy 1.0 1.8 5.0 1112 754 A 52 LEU HBx A 46 GLU HB2 1.0 1.8 5.0 1113 754 A 46 GLU HB3 A 52 LEU HBx 1.0 1.8 5.0 1114 755 A 47 ASP H A 47 ASP HBy 1.0 1.8 5.2 1115 755 A 47 ASP H A 47 ASP HBx 1.0 1.8 5.2 1116 756 A 48 ARG H A 47 ASP HBy 1.0 1.8 3.5 1117 756 A 48 ARG H A 47 ASP HBx 1.0 1.8 3.5 1118 757 A 47 ASP HBx A 48 ARG HD2 1.0 1.8 5.0 1119 757 A 47 ASP HBy A 48 ARG HD2 1.0 1.8 5.0 1120 757 A 48 ARG HD3 A 47 ASP HBy 1.0 1.8 5.0 1121 757 A 48 ARG HD3 A 47 ASP HBx 1.0 1.8 5.0 1122 758 A 49 SER H A 47 ASP HBy 1.0 1.8 5.2 1123 758 A 49 SER H A 47 ASP HBx 1.0 1.8 5.2 1124 759 A 47 ASP HBy A 49 SER HBx 1.0 1.8 5.0 1125 759 A 47 ASP HBx A 49 SER HBx 1.0 1.8 5.0 1126 759 A 49 SER HBy A 47 ASP HBy 1.0 1.8 5.0 1127 759 A 47 ASP HBx A 49 SER HBy 1.0 1.8 5.0 1128 760 A 51 ASN H A 47 ASP HBy 1.0 1.8 5.2 1129 760 A 51 ASN H A 47 ASP HBx 1.0 1.8 5.2 1130 761 A 47 ASP HBy A 51 ASN HBy 1.0 1.8 5.0 1131 761 A 51 ASN HBx A 47 ASP HBy 1.0 1.8 5.0 1132 761 A 47 ASP HBx A 51 ASN HBx 1.0 1.8 5.0 1133 761 A 47 ASP HBx A 51 ASN HBy 1.0 1.8 5.0 1134 762 A 53 ILE HG1x A 47 ASP HBy 1.0 1.8 5.0 1135 762 A 53 ILE HG1x A 47 ASP HBx 1.0 1.8 5.0 1136 763 A 53 ILE HG1y A 47 ASP HBy 1.0 1.8 6.0 1137 763 A 53 ILE HG1y A 47 ASP HBx 1.0 1.8 6.0 1138 764 A 53 ILE HD1% A 47 ASP HBy 1.0 1.8 5.5 1139 764 A 53 ILE HD1% A 47 ASP HBx 1.0 1.8 5.5 1140 765 A 48 ARG HD3 A 49 SER HBx 1.0 1.8 5.0 1141 765 A 48 ARG HD2 A 49 SER HBx 1.0 1.8 5.0 1142 765 A 49 SER HBy A 48 ARG HD2 1.0 1.8 5.0 1143 765 A 48 ARG HD3 A 49 SER HBy 1.0 1.8 5.0 1144 766 A 49 SER H A 49 SER HBx 1.0 1.8 3.5 1145 766 A 49 SER H A 49 SER HBy 1.0 1.8 3.5 1146 767 A 49 SER H A 51 ASN HBy 1.0 1.8 5.2 1147 767 A 49 SER H A 51 ASN HBx 1.0 1.8 5.2 1148 768 A 51 ASN H A 49 SER HBx 1.0 1.8 5.2 1149 768 A 51 ASN H A 49 SER HBy 1.0 1.8 5.2 1150 769 A 49 SER HBx A 51 ASN HBy 1.0 1.8 5.0 1151 769 A 49 SER HBy A 51 ASN HBy 1.0 1.8 5.0 1152 769 A 51 ASN HBx A 49 SER HBx 1.0 1.8 5.0 1153 769 A 49 SER HBy A 51 ASN HBx 1.0 1.8 5.0 1154 770 A 51 ASN H A 51 ASN HBy 1.0 1.8 3.5 1155 770 A 51 ASN H A 51 ASN HBx 1.0 1.8 3.5 1156 771 A 51 ASN HA A 52 LEU HBy 1.0 1.8 5.0 1157 771 A 51 ASN HA A 52 LEU HBx 1.0 1.8 5.0 1158 772 A 52 LEU H A 51 ASN HBy 1.0 1.8 5.2 1159 772 A 52 LEU H A 51 ASN HBx 1.0 1.8 5.2 1160 773 A 53 ILE HD1% A 51 ASN HBy 1.0 1.8 5.5 1161 773 A 53 ILE HD1% A 51 ASN HBx 1.0 1.8 5.5 1162 774 A 52 LEU H A 52 LEU HBy 1.0 1.8 3.5 1163 774 A 52 LEU H A 52 LEU HBx 1.0 1.8 3.5 1164 775 A 53 ILE HG2% A 54 ASP HBy 1.0 1.8 5.5 1165 775 A 53 ILE HG2% A 54 ASP HBx 1.0 1.8 5.5 1166 776 A 73 TRP HZ2 A 54 ASP HBy 1.0 1.8 5.0 1167 776 A 73 TRP HZ2 A 54 ASP HBx 1.0 1.8 5.0 1168 777 A 73 TRP HH2 A 54 ASP HBy 1.0 1.8 5.0 1169 777 A 73 TRP HH2 A 54 ASP HBx 1.0 1.8 5.0 1170 778 A 77 MET HE% A 54 ASP HBy 1.0 1.8 3.3 1171 778 A 77 MET HE% A 54 ASP HBx 1.0 1.8 3.3 1172 779 A 57 THR H A 56 SER HBx 1.0 1.8 5.2 1173 779 A 57 THR H A 56 SER HBy 1.0 1.8 5.2 1174 780 A 58 PHE HE% A 56 SER HBx 1.0 1.8 5.0 1175 780 A 58 PHE HE% A 56 SER HBy 1.0 1.8 5.0 1176 781 A 73 TRP HE1 A 56 SER HBx 1.0 1.8 5.0 1177 781 A 73 TRP HE1 A 56 SER HBy 1.0 1.8 5.0 1178 782 A 73 TRP HZ2 A 56 SER HBx 1.0 1.8 5.0 1179 782 A 73 TRP HZ2 A 56 SER HBy 1.0 1.8 5.0 1180 783 A 59 TYR H A 58 PHE HBy 1.0 1.8 5.2 1181 783 A 59 TYR H A 58 PHE HBx 1.0 1.8 5.2 1182 784 A 58 PHE HBy A 59 TYR HBx 1.0 1.8 6.0 1183 784 A 58 PHE HBx A 59 TYR HBx 1.0 1.8 6.0 1184 784 A 59 TYR HBy A 58 PHE HBy 1.0 1.8 6.0 1185 784 A 58 PHE HBx A 59 TYR HBy 1.0 1.8 6.0 1186 785 A 58 PHE HBy A 66 LEU HDy% 1.0 1.8 3.3 1187 785 A 58 PHE HBx A 66 LEU HDy% 1.0 1.8 3.3 1188 785 A 66 LEU HDx% A 58 PHE HBy 1.0 1.8 3.3 1189 785 A 58 PHE HBx A 66 LEU HDx% 1.0 1.8 3.3 1190 786 A 58 PHE HD% A 66 LEU HDy% 1.0 1.8 5.0 1191 786 A 58 PHE HD% A 66 LEU HDx% 1.0 1.8 5.0 1192 787 A 59 TYR HA A 66 LEU HDy% 1.0 1.8 5.0 1193 787 A 59 TYR HA A 66 LEU HDx% 1.0 1.8 5.0 1194 788 A 59 TYR HBx A 66 LEU HDy% 1.0 1.8 5.0 1195 788 A 66 LEU HDx% A 59 TYR HBx 1.0 1.8 5.0 1196 788 A 66 LEU HDx% A 59 TYR HBy 1.0 1.8 5.0 1197 788 A 59 TYR HBy A 66 LEU HDy% 1.0 1.8 5.0 1198 789 A 60 HIS HD2 A 65 VAL HGy% 1.0 1.8 5.0 1199 789 A 60 HIS HD2 A 65 VAL HGx% 1.0 1.8 5.0 1200 790 A 65 VAL H A 62 ASP HBx 1.0 1.8 5.2 1201 790 A 65 VAL H A 62 ASP HBy 1.0 1.8 5.2 1202 791 A 65 VAL HB A 62 ASP HBx 1.0 1.8 5.0 1203 791 A 65 VAL HB A 62 ASP HBy 1.0 1.8 5.0 1204 792 A 62 ASP HBy A 65 VAL HGy% 1.0 1.8 5.0 1205 792 A 62 ASP HBx A 65 VAL HGy% 1.0 1.8 5.0 1206 792 A 65 VAL HGx% A 62 ASP HBx 1.0 1.8 5.0 1207 792 A 65 VAL HGx% A 62 ASP HBy 1.0 1.8 5.0 1208 793 A 63 GLU HA A 66 LEU HDy% 1.0 1.8 5.0 1209 793 A 63 GLU HA A 66 LEU HDx% 1.0 1.8 5.0 1210 794 A 66 LEU HBx A 63 GLU HBy 1.0 1.8 5.0 1211 794 A 66 LEU HBx A 63 GLU HBx 1.0 1.8 5.0 1212 795 A 63 GLU HG3 A 66 LEU HDy% 1.0 1.8 6.0 1213 795 A 63 GLU HG2 A 66 LEU HDy% 1.0 1.8 6.0 1214 795 A 66 LEU HDx% A 63 GLU HG2 1.0 1.8 6.0 1215 795 A 63 GLU HG3 A 66 LEU HDx% 1.0 1.8 6.0 1216 796 A 64 ASP H A 64 ASP HBx 1.0 1.8 3.5 1217 796 A 64 ASP H A 64 ASP HBy 1.0 1.8 3.5 1218 797 A 65 VAL H A 64 ASP HBx 1.0 1.8 5.2 1219 797 A 65 VAL H A 64 ASP HBy 1.0 1.8 5.2 1220 798 A 65 VAL HA A 64 ASP HBx 1.0 1.8 5.0 1221 798 A 65 VAL HA A 64 ASP HBy 1.0 1.8 5.0 1222 799 A 64 ASP HBx A 65 VAL HGy% 1.0 1.8 5.0 1223 799 A 64 ASP HBy A 65 VAL HGy% 1.0 1.8 5.0 1224 799 A 65 VAL HGx% A 64 ASP HBx 1.0 1.8 5.0 1225 799 A 65 VAL HGx% A 64 ASP HBy 1.0 1.8 5.0 1226 800 A 65 VAL H A 65 VAL HGy% 1.0 1.8 3.5 1227 800 A 65 VAL H A 65 VAL HGx% 1.0 1.8 3.5 1228 801 A 66 LEU H A 65 VAL HGy% 1.0 1.8 5.2 1229 801 A 66 LEU H A 65 VAL HGx% 1.0 1.8 5.2 1230 802 A 65 VAL HGx% A 68 ASN HB2 1.0 1.8 5.0 1231 802 A 65 VAL HGy% A 68 ASN HB2 1.0 1.8 5.0 1232 802 A 68 ASN HB3 A 65 VAL HGy% 1.0 1.8 5.0 1233 802 A 68 ASN HB3 A 65 VAL HGx% 1.0 1.8 5.0 1234 803 A 69 MET HGx A 65 VAL HGy% 1.0 1.8 5.0 1235 803 A 69 MET HGx A 65 VAL HGx% 1.0 1.8 5.0 1236 804 A 69 MET HGy A 65 VAL HGy% 1.0 1.8 5.0 1237 804 A 69 MET HGy A 65 VAL HGx% 1.0 1.8 5.0 1238 805 A 69 MET HE% A 65 VAL HGy% 1.0 1.8 3.3 1239 805 A 69 MET HE% A 65 VAL HGx% 1.0 1.8 3.3 1240 806 A 66 LEU H A 66 LEU HDy% 1.0 1.8 5.2 1241 806 A 66 LEU H A 66 LEU HDx% 1.0 1.8 5.2 1242 807 A 66 LEU HA A 66 LEU HDy% 1.0 1.8 3.3 1243 807 A 66 LEU HA A 66 LEU HDx% 1.0 1.8 3.3 1244 808 A 67 PHE H A 66 LEU HDy% 1.0 1.8 5.2 1245 808 A 67 PHE H A 66 LEU HDx% 1.0 1.8 5.2 1246 809 A 67 PHE HD% A 66 LEU HDy% 1.0 1.8 5.0 1247 809 A 67 PHE HD% A 66 LEU HDx% 1.0 1.8 5.0 1248 810 A 69 MET HE% A 66 LEU HDy% 1.0 1.8 5.0 1249 810 A 69 MET HE% A 66 LEU HDx% 1.0 1.8 5.0 1250 811 A 67 PHE HA A 70 CYS HBy 1.0 1.8 5.0 1251 811 A 67 PHE HA A 70 CYS HBx 1.0 1.8 5.0 1252 812 A 71 THR H A 70 CYS HBy 1.0 1.8 5.2 1253 812 A 71 THR H A 70 CYS HBx 1.0 1.8 5.2 1254 813 A 70 CYS HBx A 74 LEU HDy% 1.0 1.8 5.0 1255 813 A 70 CYS HBy A 74 LEU HDy% 1.0 1.8 5.0 1256 813 A 74 LEU HDx% A 70 CYS HBy 1.0 1.8 5.0 1257 813 A 70 CYS HBx A 74 LEU HDx% 1.0 1.8 5.0 1258 814 A 71 THR H A 72 ASP HBy 1.0 1.8 5.2 1259 814 A 71 THR H A 72 ASP HBx 1.0 1.8 5.2 1260 815 A 71 THR HA A 74 LEU HDy% 1.0 1.8 5.0 1261 815 A 71 THR HA A 74 LEU HDx% 1.0 1.8 5.0 1262 816 A 71 THR HB A 74 LEU HDy% 1.0 1.8 5.0 1263 816 A 71 THR HB A 74 LEU HDx% 1.0 1.8 5.0 1264 817 A 71 THR HG2% A 72 ASP HBy 1.0 1.8 5.5 1265 817 A 71 THR HG2% A 72 ASP HBx 1.0 1.8 5.5 1266 818 A 75 ASN H A 74 LEU HBx 1.0 1.8 5.2 1267 818 A 75 ASN H A 74 LEU HBy 1.0 1.8 5.2 1268 819 A 76 HIS HA A 75 ASN HBx 1.0 1.8 5.0 1269 819 A 76 HIS HA A 75 ASN HBy 1.0 1.8 5.0 1270 820 A 78 TYR H A 75 ASN HBx 1.0 1.8 6.2 1271 820 A 78 TYR H A 75 ASN HBy 1.0 1.8 6.2 1272 821 A 78 TYR HBx A 75 ASN HBx 1.0 1.8 5.0 1273 821 A 78 TYR HBx A 75 ASN HBy 1.0 1.8 5.0 1274 822 A 78 TYR HD% A 75 ASN HBx 1.0 1.8 5.0 1275 822 A 78 TYR HD% A 75 ASN HBy 1.0 1.8 5.0 1276 823 A 79 ASP H A 75 ASN HBx 1.0 1.8 6.2 1277 823 A 79 ASP H A 75 ASN HBy 1.0 1.8 6.2 1278 824 A 83 ASP H A 83 ASP HBy 1.0 1.8 3.5 1279 824 A 83 ASP H A 83 ASP HBx 1.0 1.8 3.5 1280 825 A 84 TRP H A 83 ASP HBy 1.0 1.8 5.2 1281 825 A 84 TRP H A 83 ASP HBx 1.0 1.8 5.2 1282 826 A 41 ILE H A 59 TYR HA 1.0 1.8 5.2 1283 827 A 41 ILE H A 58 PHE H 1.0 1.8 5.4 1284 828 A 58 PHE H A 42 ARG HA 1.0 1.8 5.2 1285 829 A 57 THR HA A 43 LEU H 1.0 1.8 5.2 1286 830 A 56 SER H A 43 LEU H 1.0 1.8 5.4 1287 831 A 44 ARG HA A 56 SER H 1.0 1.8 5.2 1288 832 A 55 THR HA A 44 ARG HA 1.0 1.8 3.3 1289 833 A 55 THR HA A 45 ILE H 1.0 1.8 5.2 1290 834 A 45 ILE H A 54 ASP H 1.0 1.8 5.4 1291 835 A 30 ASP HA A 42 ARG H 1.0 1.8 5.2 1292 836 A 29 ASP H A 42 ARG H 1.0 1.8 5.4 1293 837 A 28 TYR HA A 43 LEU HA 1.0 1.8 3.3 1294 838 A 28 TYR HA A 44 ARG H 1.0 1.8 5.2 1295 839 A 27 ILE H A 45 ILE HA 1.0 1.8 5.2 1296 840 A 26 VAL HA A 45 ILE HA 1.0 1.8 3.3 1297 841 A 26 VAL HA A 46 GLU H 1.0 1.8 5.2 1298 842 A 46 GLU H A 25 ALA H 1.0 1.8 5.4 1299 843 A 73 TRP HH2 A 45 ILE HD1% 1.0 1.8 5.5 1300 844 A 73 TRP HH2 A 45 ILE HG2% 1.0 1.8 5.5 1301 845 A 73 TRP HE3 A 43 LEU HDx% 1.0 1.8 5.5 1302 846 A 73 TRP HE1 A 56 SER HBx 1.0 1.8 5.0 1303 846 A 73 TRP HE1 A 56 SER HBy 1.0 1.8 5.0 1304 847 A 73 TRP HZ2 A 56 SER HBx 1.0 1.8 5.0 1305 847 A 73 TRP HZ2 A 56 SER HBy 1.0 1.8 5.0 1306 848 A 60 HIS HD2 A 65 VAL HGx% 1.0 1.8 5.5 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 8 ASN C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -111.54 -29.06 PHI 2 2 A 9 LEU C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -76.04 -55.24 PHI 3 3 A 10 ALA C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -81.58 -55.70 PHI 4 4 A 11 ALA C A 12 PHE N A 12 PHE CA A 12 PHE C 1.0 -76.32 -56.98 PHI 5 5 A 12 PHE C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -73.53 -55.01 PHI 6 6 A 13 LYS C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -73.16 -53.40 PHI 7 7 A 14 ALA C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -77.94 -54.10 PHI 8 8 A 15 ALA C A 16 THR N A 16 THR CA A 16 THR C 1.0 -77.80 -51.24 PHI 9 9 A 16 THR C A 17 ASN N A 17 ASN CA A 17 ASN C 1.0 -98.42 -35.02 PHI 10 10 A 17 ASN C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -69.12 -54.20 PHI 11 11 A 18 LYS C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -69.84 -53.84 PHI 12 12 A 19 LEU C A 20 PHE N A 20 PHE CA A 20 PHE C 1.0 -73.75 -61.23 PHI 13 13 A 20 PHE C A 21 GLN N A 21 GLN CA A 21 GLN C 1.0 -77.04 -50.74 PHI 14 14 A 21 GLN C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -111.11 -76.35 PHI 15 15 A 22 LEU C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 50.48 71.04 PHI 16 16 A 23 ASP C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -146.81 -62.25 PHI 17 17 A 24 LEU C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -157.09 -81.99 PHI 18 18 A 25 ALA C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -149.50 -71.68 PHI 19 19 A 26 VAL C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -140.99 -77.61 PHI 20 20 A 27 ILE C A 28 TYR N A 28 TYR CA A 28 TYR C 1.0 -138.09 -94.59 PHI 21 21 A 28 TYR C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -170.76 -75.72 PHI 22 22 A 29 ASP C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -172.81 -57.41 PHI 23 23 A 34 ALA C A 35 TYR N A 35 TYR CA A 35 TYR C 1.0 -93.52 -51.94 PHI 24 24 A 35 TYR C A 36 THR N A 36 THR CA A 36 THR C 1.0 -114.27 -68.13 PHI 25 25 A 41 ILE C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -156.23 -105.27 PHI 26 26 A 42 ARG C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -152.23 -98.57 PHI 27 27 A 43 LEU C A 44 ARG N A 44 ARG CA A 44 ARG C 1.0 -166.87 -107.53 PHI 28 28 A 44 ARG C A 45 ILE N A 45 ILE CA A 45 ILE C 1.0 -131.02 -97.80 PHI 29 29 A 45 ILE C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -165.84 -89.12 PHI 30 30 A 47 ASP C A 48 ARG N A 48 ARG CA A 48 ARG C 1.0 -93.76 -30.18 PHI 31 31 A 52 LEU C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -108.83 -65.59 PHI 32 32 A 53 ILE C A 54 ASP N A 54 ASP CA A 54 ASP C 1.0 -181.98 -146.72 PHI 33 33 A 54 ASP C A 55 THR N A 55 THR CA A 55 THR C 1.0 -149.77 -74.31 PHI 34 34 A 55 THR C A 56 SER N A 56 SER CA A 56 SER C 1.0 -150.52 -64.96 PHI 35 35 A 56 SER C A 57 THR N A 57 THR CA A 57 THR C 1.0 -155.26 -85.08 PHI 36 36 A 57 THR C A 58 PHE N A 58 PHE CA A 58 PHE C 1.0 -164.41 -85.09 PHI 37 37 A 58 PHE C A 59 TYR N A 59 TYR CA A 59 TYR C 1.0 -159.10 -120.88 PHI 38 38 A 60 HIS C A 61 HIS N A 61 HIS CA A 61 HIS C 1.0 -159.48 -63.58 PHI 39 39 A 61 HIS C A 62 ASP N A 62 ASP CA A 62 ASP C 1.0 -138.45 -47.53 PHI 40 40 A 62 ASP C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -72.28 -41.90 PHI 41 41 A 63 GLU C A 64 ASP N A 64 ASP CA A 64 ASP C 1.0 -80.00 -47.32 PHI 42 42 A 64 ASP C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -73.31 -54.03 PHI 43 43 A 65 VAL C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -73.27 -50.27 PHI 44 44 A 66 LEU C A 67 PHE N A 67 PHE CA A 67 PHE C 1.0 -71.09 -52.25 PHI 45 45 A 67 PHE C A 68 ASN N A 68 ASN CA A 68 ASN C 1.0 -75.91 -58.15 PHI 46 46 A 68 ASN C A 69 MET N A 69 MET CA A 69 MET C 1.0 -67.21 -53.81 PHI 47 47 A 69 MET C A 70 CYS N A 70 CYS CA A 70 CYS C 1.0 -80.31 -52.95 PHI 48 48 A 70 CYS C A 71 THR N A 71 THR CA A 71 THR C 1.0 -84.06 -52.20 PHI 49 49 A 71 THR C A 72 ASP N A 72 ASP CA A 72 ASP C 1.0 -75.17 -40.91 PHI 50 50 A 72 ASP C A 73 TRP N A 73 TRP CA A 73 TRP C 1.0 -69.35 -57.71 PHI 51 51 A 73 TRP C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -69.77 -56.21 PHI 52 52 A 74 LEU C A 75 ASN N A 75 ASN CA A 75 ASN C 1.0 -73.19 -53.85 PHI 53 53 A 75 ASN C A 76 HIS N A 76 HIS CA A 76 HIS C 1.0 -69.02 -56.58 PHI 54 54 A 76 HIS C A 77 MET N A 77 MET CA A 77 MET C 1.0 -76.56 -55.62 PHI 55 55 A 77 MET C A 78 TYR N A 78 TYR CA A 78 TYR C 1.0 -69.64 -49.26 PHI 56 56 A 78 TYR C A 79 ASP N A 79 ASP CA A 79 ASP C 1.0 -79.43 -45.67 PHI 57 57 A 79 ASP C A 80 GLN N A 80 GLN CA A 80 GLN C 1.0 -104.74 -37.44 PHI 58 58 A 80 GLN C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -106.54 -40.04 PHI 59 59 A 81 LEU C A 82 LYS N A 82 LYS CA A 82 LYS C 1.0 -82.38 -41.80 PHI 60 60 A 82 LYS C A 83 ASP N A 83 ASP CA A 83 ASP C 1.0 -133.77 -62.51 PHI 61 61 A 83 ASP C A 84 TRP N A 84 TRP CA A 84 TRP C 1.0 -155.74 -26.20 PHI 62 62 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 ALA N 1.0 -69.58 7.32 PSI 63 63 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 ALA N 1.0 -54.26 -28.26 PSI 64 64 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 PHE N 1.0 -45.08 -27.46 PSI 65 65 A 12 PHE N A 12 PHE CA A 12 PHE C A 13 LYS N 1.0 -55.19 -32.11 PSI 66 66 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 ALA N 1.0 -48.79 -34.31 PSI 67 67 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 ALA N 1.0 -51.51 -27.93 PSI 68 68 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 THR N 1.0 -54.76 -25.06 PSI 69 69 A 16 THR N A 16 THR CA A 16 THR C A 17 ASN N 1.0 -59.74 -24.46 PSI 70 70 A 17 ASN N A 17 ASN CA A 17 ASN C A 18 LYS N 1.0 -73.42 -1.48 PSI 71 71 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 LEU N 1.0 -54.17 -38.39 PSI 72 72 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 PHE N 1.0 -52.45 -28.89 PSI 73 73 A 20 PHE N A 20 PHE CA A 20 PHE C A 21 GLN N 1.0 -51.69 -31.17 PSI 74 74 A 21 GLN N A 21 GLN CA A 21 GLN C A 22 LEU N 1.0 -52.23 -9.77 PSI 75 75 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 ASP N 1.0 -0.34 26.68 PSI 76 76 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 LEU N 1.0 16.45 55.91 PSI 77 77 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 ALA N 1.0 119.12 188.34 PSI 78 78 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 VAL N 1.0 101.81 180.69 PSI 79 79 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 ILE N 1.0 102.21 147.23 PSI 80 80 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 TYR N 1.0 106.28 149.80 PSI 81 81 A 28 TYR N A 28 TYR CA A 28 TYR C A 29 ASP N 1.0 101.14 171.36 PSI 82 82 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 ASP N 1.0 123.55 164.15 PSI 83 83 A 30 ASP N A 30 ASP CA A 30 ASP C A 31 TRP N 1.0 119.06 178.18 PSI 84 84 A 35 TYR N A 35 TYR CA A 35 TYR C A 36 THR N 1.0 -66.05 -7.77 PSI 85 85 A 36 THR N A 36 THR CA A 36 THR C A 37 ARG N 1.0 -31.90 29.34 PSI 86 86 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 LEU N 1.0 114.10 156.20 PSI 87 87 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 ARG N 1.0 112.14 165.30 PSI 88 88 A 44 ARG N A 44 ARG CA A 44 ARG C A 45 ILE N 1.0 118.35 170.49 PSI 89 89 A 45 ILE N A 45 ILE CA A 45 ILE C A 46 GLU N 1.0 112.96 139.54 PSI 90 90 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 ASP N 1.0 126.55 189.67 PSI 91 91 A 48 ARG N A 48 ARG CA A 48 ARG C A 49 SER N 1.0 -53.99 11.35 PSI 92 92 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 ASP N 1.0 -60.92 -24.22 PSI 93 93 A 54 ASP N A 54 ASP CA A 54 ASP C A 55 THR N 1.0 139.33 174.63 PSI 94 94 A 55 THR N A 55 THR CA A 55 THR C A 56 SER N 1.0 112.18 169.54 PSI 95 95 A 56 SER N A 56 SER CA A 56 SER C A 57 THR N 1.0 119.81 166.71 PSI 96 96 A 57 THR N A 57 THR CA A 57 THR C A 58 PHE N 1.0 101.94 167.62 PSI 97 97 A 58 PHE N A 58 PHE CA A 58 PHE C A 59 TYR N 1.0 115.63 179.89 PSI 98 98 A 59 TYR N A 59 TYR CA A 59 TYR C A 60 HIS N 1.0 112.30 179.78 PSI 99 99 A 61 HIS N A 61 HIS CA A 61 HIS C A 62 ASP N 1.0 86.22 153.02 PSI 100 100 A 62 ASP N A 62 ASP CA A 62 ASP C A 63 GLU N 1.0 62.89 178.87 PSI 101 101 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 ASP N 1.0 -70.58 -0.98 PSI 102 102 A 64 ASP N A 64 ASP CA A 64 ASP C A 65 VAL N 1.0 -57.63 -19.67 PSI 103 103 A 65 VAL N A 65 VAL CA A 65 VAL C A 66 LEU N 1.0 -57.39 -32.75 PSI 104 104 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 PHE N 1.0 -55.44 -29.50 PSI 105 105 A 67 PHE N A 67 PHE CA A 67 PHE C A 68 ASN N 1.0 -56.93 -19.61 PSI 106 106 A 68 ASN N A 68 ASN CA A 68 ASN C A 69 MET N 1.0 -57.03 -27.79 PSI 107 107 A 69 MET N A 69 MET CA A 69 MET C A 70 CYS N 1.0 -55.70 -32.30 PSI 108 108 A 70 CYS N A 70 CYS CA A 70 CYS C A 71 THR N 1.0 -55.74 -16.44 PSI 109 109 A 71 THR N A 71 THR CA A 71 THR C A 72 ASP N 1.0 -55.55 -24.71 PSI 110 110 A 72 ASP N A 72 ASP CA A 72 ASP C A 73 TRP N 1.0 -54.47 -33.05 PSI 111 111 A 73 TRP N A 73 TRP CA A 73 TRP C A 74 LEU N 1.0 -53.12 -33.00 PSI 112 112 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 ASN N 1.0 -48.92 -28.12 PSI 113 113 A 75 ASN N A 75 ASN CA A 75 ASN C A 76 HIS N 1.0 -52.01 -20.41 PSI 114 114 A 76 HIS N A 76 HIS CA A 76 HIS C A 77 MET N 1.0 -57.81 -31.07 PSI 115 115 A 77 MET N A 77 MET CA A 77 MET C A 78 TYR N 1.0 -51.80 -23.36 PSI 116 116 A 78 TYR N A 78 TYR CA A 78 TYR C A 79 ASP N 1.0 -57.41 -36.75 PSI 117 117 A 79 ASP N A 79 ASP CA A 79 ASP C A 80 GLN N 1.0 -49.87 -24.63 PSI 118 118 A 80 GLN N A 80 GLN CA A 80 GLN C A 81 LEU N 1.0 -62.00 -4.12 PSI 119 119 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 LYS N 1.0 -71.45 4.55 PSI 120 120 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 ASP N 1.0 -58.33 -14.25 PSI 121 121 A 83 ASP N A 83 ASP CA A 83 ASP C A 84 TRP N 1.0 -37.20 35.98 PSI 122 122 A 84 TRP N A 84 TRP CA A 84 TRP C A 85 LYS N 1.0 52.11 182.65 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 8 ASN N A 8 ASN H 1.0 . . . 2 2 A 9 LEU N A 9 LEU H 1.0 . . . 3 3 A 12 PHE N A 12 PHE H 1.0 . . . 4 4 A 13 LYS N A 13 LYS H 1.0 . . . 5 5 A 16 THR N A 16 THR H 1.0 . . . 6 6 A 18 LYS N A 18 LYS H 1.0 . . . 7 7 A 22 LEU N A 22 LEU H 1.0 . . . 8 8 A 23 ASP N A 23 ASP H 1.0 . . . 9 9 A 24 LEU N A 24 LEU H 1.0 . . . 10 10 A 25 ALA N A 25 ALA H 1.0 . . . 11 11 A 26 VAL N A 26 VAL H 1.0 . . . 12 12 A 27 ILE N A 27 ILE H 1.0 . . . 13 13 A 28 TYR N A 28 TYR H 1.0 . . . 14 14 A 29 ASP N A 29 ASP H 1.0 . . . 15 15 A 30 ASP N A 30 ASP H 1.0 . . . 16 16 A 31 TRP N A 31 TRP H 1.0 . . . 17 17 A 34 ALA N A 34 ALA H 1.0 . . . 18 18 A 35 TYR N A 35 TYR H 1.0 . . . 19 19 A 36 THR N A 36 THR H 1.0 . . . 20 20 A 41 ILE N A 41 ILE H 1.0 . . . 21 21 A 42 ARG N A 42 ARG H 1.0 . . . 22 22 A 43 LEU N A 43 LEU H 1.0 . . . 23 23 A 44 ARG N A 44 ARG H 1.0 . . . 24 24 A 45 ILE N A 45 ILE H 1.0 . . . 25 25 A 46 GLU N A 46 GLU H 1.0 . . . 26 26 A 48 ARG N A 48 ARG H 1.0 . . . 27 27 A 49 SER N A 49 SER H 1.0 . . . 28 28 A 50 GLY N A 50 GLY H 1.0 . . . 29 29 A 51 ASN N A 51 ASN H 1.0 . . . 30 30 A 52 LEU N A 52 LEU H 1.0 . . . 31 31 A 53 ILE N A 53 ILE H 1.0 . . . 32 32 A 54 ASP N A 54 ASP H 1.0 . . . 33 33 A 55 THR N A 55 THR H 1.0 . . . 34 34 A 56 SER N A 56 SER H 1.0 . . . 35 35 A 57 THR N A 57 THR H 1.0 . . . 36 36 A 58 PHE N A 58 PHE H 1.0 . . . 37 37 A 63 GLU N A 63 GLU H 1.0 . . . 38 38 A 65 VAL N A 65 VAL H 1.0 . . . 39 39 A 67 PHE N A 67 PHE H 1.0 . . . 40 40 A 68 ASN N A 68 ASN H 1.0 . . . 41 41 A 69 MET N A 69 MET H 1.0 . . . 42 42 A 70 CYS N A 70 CYS H 1.0 . . . 43 43 A 71 THR N A 71 THR H 1.0 . . . 44 44 A 73 TRP N A 73 TRP H 1.0 . . . 45 45 A 74 LEU N A 74 LEU H 1.0 . . . 46 46 A 75 ASN N A 75 ASN H 1.0 . . . 47 47 A 80 GLN N A 80 GLN H 1.0 . . . 48 48 A 82 LYS N A 82 LYS H 1.0 . . . 49 49 A 84 TRP N A 84 TRP H 1.0 . . . 50 50 A 84 TRP N A 84 TRP H 1.0 . . . 51 51 A 85 LYS N A 85 LYS H 1.0 . . . stop_ save_