data_nef_c15246_2jpi 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 -21 MET start . . 2 A -20 GLY middle . false 3 A -19 THR middle . . 4 A -18 SER middle . . 5 A -17 HIS middle . . 6 A -16 HIS middle . . 7 A -15 HIS middle . . 8 A -14 HIS middle . . 9 A -13 HIS middle . . 10 A -12 HIS middle . . 11 A -11 SER middle . . 12 A -10 SER middle . . 13 A -9 GLY middle . false 14 A -8 ARG middle . . 15 A -7 GLU middle . . 16 A -6 ASN middle . . 17 A -5 LEU middle . . 18 A -4 TYR middle . . 19 A -3 PHE middle . . 20 A -2 GLN middle . . 21 A -1 GLY middle . false 22 A 0 HIS middle . . 23 A 1 MET middle . . 24 A 2 PHE middle . . 25 A 3 ARG middle . . 26 A 4 SER middle . . 27 A 5 THR middle . . 28 A 6 SER middle . . 29 A 7 HIS middle . . 30 A 8 VAL middle . . 31 A 9 ARG middle . . 32 A 10 THR middle . . 33 A 11 GLU middle . . 34 A 12 SER middle . . 35 A 13 ALA middle . . 36 A 14 ALA middle . . 37 A 15 ARG middle . . 38 A 16 TYR middle . . 39 A 17 VAL middle . . 40 A 18 ASN middle . . 41 A 19 ARG middle . . 42 A 20 LEU middle . . 43 A 21 CYS middle . . 44 A 22 LYS middle . . 45 A 23 HIS middle . . 46 A 24 TRP middle . . 47 A 25 GLY middle . false 48 A 26 HIS middle . . 49 A 27 LYS middle . . 50 A 28 PHE middle . . 51 A 29 GLU middle . . 52 A 30 VAL middle . . 53 A 31 GLU middle . . 54 A 32 LEU middle . . 55 A 33 THR middle . . 56 A 34 PRO middle . false 57 A 35 GLU middle . . 58 A 36 ARG middle . . 59 A 37 GLY middle . false 60 A 38 PHE middle . . 61 A 39 ILE middle . . 62 A 40 ASP middle . . 63 A 41 PHE middle . . 64 A 42 GLY middle . false 65 A 43 ASP middle . . 66 A 44 SER middle . . 67 A 45 ASN middle . . 68 A 46 CYS middle . . 69 A 47 GLU middle . . 70 A 48 LEU middle . . 71 A 49 LEU middle . . 72 A 50 ALA middle . . 73 A 51 HIS middle . . 74 A 52 PRO middle . false 75 A 53 ASP middle . . 76 A 54 HIS middle . . 77 A 55 VAL middle . . 78 A 56 LEU middle . . 79 A 57 MET middle . . 80 A 58 ILE middle . . 81 A 59 LEU middle . . 82 A 60 ASN middle . . 83 A 61 SER middle . . 84 A 62 PRO middle . false 85 A 63 ASP middle . . 86 A 64 GLU middle . . 87 A 65 ASP middle . . 88 A 66 SER middle . . 89 A 67 LEU middle . . 90 A 68 ALA middle . . 91 A 69 HIS middle . . 92 A 70 MET middle . . 93 A 71 GLN middle . . 94 A 72 ASN middle . . 95 A 73 VAL middle . . 96 A 74 VAL middle . . 97 A 75 ALA middle . . 98 A 76 ASP middle . . 99 A 77 HIS middle . . 100 A 78 LEU middle . . 101 A 79 GLN middle . . 102 A 80 ARG middle . . 103 A 81 MET middle . . 104 A 82 ALA middle . . 105 A 83 ASN middle . . 106 A 84 SER middle . . 107 A 85 GLU middle . . 108 A 86 SER middle . . 109 A 87 LEU middle . . 110 A 88 GLU middle . . 111 A 89 ILE middle . . 112 A 90 ALA middle . . 113 A 91 TRP middle . . 114 A 92 GLN middle . . 115 A 93 PRO middle . false 116 A 94 ALA middle . . 117 A 95 GLU middle . . 118 A 96 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.564 0.006 A 1 MET HBx H 1 1.890 0.006 A 1 MET HBy H 1 1.890 0.006 A 1 MET HGx H 1 2.363 0.006 A 1 MET HGy H 1 2.363 0.006 A 1 MET C C 13 175.320 0.25 A 1 MET CA C 13 54.705 0.25 A 1 MET CB C 13 34.498 0.25 A 1 MET CG C 13 32.618 0.25 A 1 MET N N 15 120.277 0.20 A 2 PHE H H 1 8.940 0.006 A 2 PHE HA H 1 4.540 0.006 A 2 PHE HBy H 1 2.910 0.006 A 2 PHE HBx H 1 2.747 0.006 A 2 PHE HDx H 1 7.123 0.006 A 2 PHE HEx H 1 7.410 0.006 A 2 PHE C C 13 173.640 0.25 A 2 PHE CA C 13 58.262 0.25 A 2 PHE CB C 13 40.639 0.25 A 2 PHE N N 15 121.410 0.20 A 3 ARG H H 1 8.559 0.006 A 3 ARG HA H 1 5.932 0.006 A 3 ARG HBy H 1 1.814 0.006 A 3 ARG HBx H 1 1.666 0.006 A 3 ARG HDy H 1 3.143 0.006 A 3 ARG HDx H 1 3.067 0.006 A 3 ARG HGy H 1 1.714 0.006 A 3 ARG HGx H 1 1.436 0.006 A 3 ARG C C 13 175.870 0.25 A 3 ARG CA C 13 53.965 0.25 A 3 ARG CB C 13 34.959 0.25 A 3 ARG CD C 13 44.058 0.25 A 3 ARG CG C 13 27.327 0.25 A 3 ARG N N 15 123.288 0.20 A 4 SER H H 1 9.096 0.006 A 4 SER HA H 1 5.306 0.006 A 4 SER HBy H 1 3.939 0.006 A 4 SER HBx H 1 3.741 0.006 A 4 SER C C 13 173.230 0.25 A 4 SER CA C 13 56.908 0.25 A 4 SER CB C 13 66.846 0.25 A 4 SER N N 15 120.152 0.20 A 5 THR H H 1 8.889 0.006 A 5 THR HA H 1 6.172 0.006 A 5 THR HB H 1 4.252 0.006 A 5 THR HG2% H 1 1.321 0.006 A 5 THR C C 13 173.740 0.25 A 5 THR CA C 13 59.621 0.25 A 5 THR CB C 13 75.444 0.25 A 5 THR CG2 C 13 21.767 0.25 A 5 THR N N 15 112.196 0.20 A 6 SER H H 1 8.945 0.006 A 6 SER HA H 1 4.643 0.006 A 6 SER HBy H 1 2.265 0.006 A 6 SER HBx H 1 2.035 0.006 A 6 SER C C 13 173.400 0.25 A 6 SER CA C 13 57.727 0.25 A 6 SER CB C 13 65.115 0.25 A 6 SER N N 15 115.468 0.20 A 7 HIS H H 1 8.713 0.006 A 7 HIS HA H 1 5.046 0.006 A 7 HIS HBy H 1 3.033 0.006 A 7 HIS HBx H 1 2.823 0.006 A 7 HIS HD2 H 1 6.423 0.006 A 7 HIS C C 13 175.330 0.25 A 7 HIS CA C 13 55.507 0.25 A 7 HIS CB C 13 31.214 0.25 A 7 HIS N N 15 130.131 0.20 A 8 VAL H H 1 9.318 0.006 A 8 VAL HA H 1 4.431 0.006 A 8 VAL HB H 1 2.152 0.006 A 8 VAL HGx% H 1 0.804 0.006 A 8 VAL HGy% H 1 0.804 0.006 A 8 VAL C C 13 175.620 0.25 A 8 VAL CA C 13 61.142 0.25 A 8 VAL CB C 13 33.063 0.25 A 8 VAL CG1 C 13 22.265 0.25 A 8 VAL CG2 C 13 22.265 0.25 A 8 VAL N N 15 128.679 0.20 A 9 ARG H H 1 9.212 0.006 A 9 ARG HA H 1 4.517 0.006 A 9 ARG HBy H 1 1.971 0.006 A 9 ARG HBx H 1 1.924 0.006 A 9 ARG HDx H 1 3.335 0.006 A 9 ARG HDy H 1 3.335 0.006 A 9 ARG HGy H 1 1.965 0.006 A 9 ARG HGx H 1 1.811 0.006 A 9 ARG C C 13 176.520 0.25 A 9 ARG CA C 13 57.458 0.25 A 9 ARG CB C 13 29.842 0.25 A 9 ARG CD C 13 43.017 0.25 A 9 ARG CG C 13 27.408 0.25 A 9 ARG N N 15 128.640 0.20 A 10 THR H H 1 7.941 0.006 A 10 THR HA H 1 4.627 0.006 A 10 THR HG2% H 1 1.089 0.006 A 10 THR C C 13 172.560 0.25 A 10 THR CA C 13 61.473 0.25 A 10 THR CB C 13 66.191 0.25 A 10 THR CG2 C 13 17.911 0.25 A 10 THR N N 15 120.036 0.20 A 11 GLU H H 1 9.022 0.006 A 11 GLU HA H 1 4.731 0.006 A 11 GLU HBx H 1 1.921 0.006 A 11 GLU HBy H 1 1.921 0.006 A 11 GLU HGx H 1 2.416 0.006 A 11 GLU HGy H 1 2.416 0.006 A 11 GLU C C 13 177.810 0.25 A 11 GLU CA C 13 57.466 0.25 A 11 GLU CB C 13 30.044 0.25 A 11 GLU CG C 13 37.571 0.25 A 11 GLU N N 15 126.859 0.20 A 12 SER H H 1 8.930 0.006 A 12 SER HA H 1 4.795 0.006 A 12 SER HBy H 1 3.458 0.006 A 12 SER HBx H 1 3.123 0.006 A 12 SER C C 13 173.360 0.25 A 12 SER CA C 13 56.842 0.25 A 12 SER CB C 13 63.756 0.25 A 12 SER N N 15 119.717 0.20 A 13 ALA H H 1 8.756 0.006 A 13 ALA HA H 1 3.542 0.006 A 13 ALA HB% H 1 1.390 0.006 A 13 ALA C C 13 178.560 0.25 A 13 ALA CA C 13 56.288 0.25 A 13 ALA CB C 13 21.558 0.25 A 13 ALA N N 15 121.856 0.20 A 14 ALA H H 1 8.442 0.006 A 14 ALA HA H 1 3.691 0.006 A 14 ALA HB% H 1 1.356 0.006 A 14 ALA C C 13 179.900 0.25 A 14 ALA CA C 13 55.754 0.25 A 14 ALA CB C 13 17.368 0.25 A 14 ALA N N 15 117.191 0.20 A 15 ARG H H 1 7.513 0.006 A 15 ARG HA H 1 4.097 0.006 A 15 ARG HBy H 1 1.787 0.006 A 15 ARG HBx H 1 1.623 0.006 A 15 ARG HDx H 1 3.215 0.006 A 15 ARG HDy H 1 3.215 0.006 A 15 ARG HGx H 1 1.475 0.006 A 15 ARG HGy H 1 1.475 0.006 A 15 ARG C C 13 178.720 0.25 A 15 ARG CA C 13 58.699 0.25 A 15 ARG CB C 13 30.024 0.25 A 15 ARG CD C 13 43.858 0.25 A 15 ARG CG C 13 27.067 0.25 A 15 ARG N N 15 118.952 0.20 A 16 TYR H H 1 7.632 0.006 A 16 TYR HA H 1 4.433 0.006 A 16 TYR HBy H 1 3.004 0.006 A 16 TYR HBx H 1 2.834 0.006 A 16 TYR HDx H 1 6.600 0.006 A 16 TYR C C 13 178.110 0.25 A 16 TYR CA C 13 58.473 0.25 A 16 TYR CB C 13 36.286 0.25 A 16 TYR N N 15 118.516 0.20 A 17 VAL H H 1 8.680 0.006 A 17 VAL HA H 1 3.491 0.006 A 17 VAL HB H 1 2.107 0.006 A 17 VAL HGx% H 1 0.983 0.006 A 17 VAL HGy% H 1 0.900 0.006 A 17 VAL C C 13 177.450 0.25 A 17 VAL CA C 13 68.093 0.25 A 17 VAL CB C 13 31.943 0.25 A 17 VAL CG1 C 13 24.369 0.25 A 17 VAL CG2 C 13 21.770 0.25 A 17 VAL N N 15 119.126 0.20 A 18 ASN H H 1 7.813 0.006 A 18 ASN HA H 1 4.280 0.006 A 18 ASN HBy H 1 2.959 0.006 A 18 ASN HBx H 1 2.864 0.006 A 18 ASN C C 13 177.190 0.25 A 18 ASN CA C 13 57.525 0.25 A 18 ASN CB C 13 39.474 0.25 A 18 ASN N N 15 118.013 0.20 A 19 ARG H H 1 8.425 0.006 A 19 ARG HA H 1 4.010 0.006 A 19 ARG HBy H 1 2.200 0.006 A 19 ARG HBx H 1 1.939 0.006 A 19 ARG HDx H 1 3.334 0.006 A 19 ARG HDy H 1 3.334 0.006 A 19 ARG HGy H 1 2.131 0.006 A 19 ARG HGx H 1 1.921 0.006 A 19 ARG C C 13 180.050 0.25 A 19 ARG CA C 13 59.734 0.25 A 19 ARG CB C 13 30.877 0.25 A 19 ARG CD C 13 43.973 0.25 A 19 ARG CG C 13 27.935 0.25 A 19 ARG N N 15 116.687 0.20 A 20 LEU H H 1 8.731 0.006 A 20 LEU HA H 1 3.904 0.006 A 20 LEU HBy H 1 1.819 0.006 A 20 LEU HBx H 1 1.671 0.006 A 20 LEU HDx% H 1 0.613 0.006 A 20 LEU HDy% H 1 0.531 0.006 A 20 LEU HG H 1 1.656 0.006 A 20 LEU C C 13 178.690 0.25 A 20 LEU CA C 13 58.238 0.25 A 20 LEU CB C 13 41.659 0.25 A 20 LEU CD1 C 13 25.085 0.25 A 20 LEU CD2 C 13 24.028 0.25 A 20 LEU CG C 13 27.053 0.25 A 20 LEU N N 15 120.849 0.20 A 21 CYS H H 1 8.241 0.006 A 21 CYS HA H 1 4.268 0.006 A 21 CYS HBy H 1 3.179 0.006 A 21 CYS HBx H 1 2.770 0.006 A 21 CYS C C 13 177.530 0.25 A 21 CYS CA C 13 65.374 0.25 A 21 CYS CB C 13 27.962 0.25 A 21 CYS N N 15 115.952 0.20 A 22 LYS H H 1 8.364 0.006 A 22 LYS HA H 1 4.091 0.006 A 22 LYS HBx H 1 1.930 0.006 A 22 LYS HBy H 1 1.930 0.006 A 22 LYS HDx H 1 1.687 0.006 A 22 LYS HDy H 1 1.687 0.006 A 22 LYS HEx H 1 2.994 0.006 A 22 LYS HEy H 1 2.994 0.006 A 22 LYS HGy H 1 1.591 0.006 A 22 LYS HGx H 1 1.487 0.006 A 22 LYS C C 13 179.020 0.25 A 22 LYS CA C 13 59.004 0.25 A 22 LYS CB C 13 31.921 0.25 A 22 LYS CD C 13 28.841 0.25 A 22 LYS CE C 13 42.399 0.25 A 22 LYS CG C 13 25.488 0.25 A 22 LYS N N 15 119.823 0.20 A 23 HIS H H 1 8.036 0.006 A 23 HIS HA H 1 4.408 0.006 A 23 HIS HBx H 1 3.100 0.006 A 23 HIS HBy H 1 3.100 0.006 A 23 HIS HD2 H 1 7.206 0.006 A 23 HIS C C 13 177.870 0.25 A 23 HIS CA C 13 60.404 0.25 A 23 HIS CB C 13 30.954 0.25 A 23 HIS N N 15 118.729 0.20 A 24 TRP H H 1 8.426 0.006 A 24 TRP HA H 1 4.903 0.006 A 24 TRP HBy H 1 3.357 0.006 A 24 TRP HBx H 1 3.237 0.006 A 24 TRP HD1 H 1 7.527 0.006 A 24 TRP HE1 H 1 10.009 0.006 A 24 TRP C C 13 177.900 0.25 A 24 TRP CA C 13 58.973 0.25 A 24 TRP CB C 13 29.328 0.25 A 24 TRP N N 15 117.297 0.20 A 24 TRP NE1 N 15 128.860 0.20 A 25 GLY H H 1 8.254 0.006 A 25 GLY HAy H 1 4.362 0.006 A 25 GLY HAx H 1 3.936 0.006 A 25 GLY CA C 13 46.812 0.25 A 25 GLY N N 15 108.683 0.20 A 26 HIS C C 13 176.030 0.25 A 26 HIS CA C 13 58.358 0.25 A 26 HIS CB C 13 30.438 0.25 A 27 LYS H H 1 7.544 0.006 A 27 LYS HA H 1 4.236 0.006 A 27 LYS HBy H 1 1.191 0.006 A 27 LYS HBx H 1 1.017 0.006 A 27 LYS HDx H 1 1.514 0.006 A 27 LYS HDy H 1 1.514 0.006 A 27 LYS HEx H 1 2.892 0.006 A 27 LYS HEy H 1 2.892 0.006 A 27 LYS HGy H 1 0.922 0.006 A 27 LYS HGx H 1 0.723 0.006 A 27 LYS C C 13 174.880 0.25 A 27 LYS CA C 13 56.572 0.25 A 27 LYS CB C 13 35.793 0.25 A 27 LYS CD C 13 29.137 0.25 A 27 LYS CE C 13 42.108 0.25 A 27 LYS CG C 13 24.589 0.25 A 27 LYS N N 15 117.278 0.20 A 28 PHE H H 1 8.178 0.006 A 28 PHE HA H 1 5.016 0.006 A 28 PHE HBy H 1 3.129 0.006 A 28 PHE HBx H 1 2.091 0.006 A 28 PHE HDx H 1 7.212 0.006 A 28 PHE HEx H 1 7.353 0.006 A 28 PHE C C 13 174.190 0.25 A 28 PHE CA C 13 55.756 0.25 A 28 PHE CB C 13 41.140 0.25 A 28 PHE N N 15 118.846 0.20 A 29 GLU H H 1 7.812 0.006 A 29 GLU HA H 1 4.449 0.006 A 29 GLU HBy H 1 2.148 0.006 A 29 GLU HBx H 1 2.091 0.006 A 29 GLU HGy H 1 2.393 0.006 A 29 GLU HGx H 1 2.362 0.006 A 29 GLU C C 13 175.570 0.25 A 29 GLU CA C 13 56.852 0.25 A 29 GLU CB C 13 30.207 0.25 A 29 GLU CG C 13 36.156 0.25 A 29 GLU N N 15 120.355 0.20 A 30 VAL H H 1 8.395 0.006 A 30 VAL HA H 1 5.383 0.006 A 30 VAL HB H 1 2.048 0.006 A 30 VAL HGx% H 1 0.996 0.006 A 30 VAL HGy% H 1 0.956 0.006 A 30 VAL C C 13 175.850 0.25 A 30 VAL CA C 13 59.969 0.25 A 30 VAL CB C 13 36.173 0.25 A 30 VAL CG1 C 13 21.629 0.25 A 30 VAL CG2 C 13 21.083 0.25 A 30 VAL N N 15 124.120 0.20 A 31 GLU H H 1 9.289 0.006 A 31 GLU HA H 1 4.717 0.006 A 31 GLU HBy H 1 2.158 0.006 A 31 GLU HBx H 1 2.067 0.006 A 31 GLU HGy H 1 2.366 0.006 A 31 GLU HGx H 1 2.282 0.006 A 31 GLU C C 13 174.370 0.25 A 31 GLU CA C 13 55.415 0.25 A 31 GLU CB C 13 33.211 0.25 A 31 GLU CG C 13 36.156 0.25 A 31 GLU N N 15 126.346 0.20 A 32 LEU H H 1 8.763 0.006 A 32 LEU HA H 1 5.375 0.006 A 32 LEU HBy H 1 1.835 0.006 A 32 LEU HBx H 1 1.350 0.006 A 32 LEU HDx% H 1 1.097 0.006 A 32 LEU HDy% H 1 1.097 0.006 A 32 LEU HG H 1 0.952 0.006 A 32 LEU C C 13 175.100 0.25 A 32 LEU CA C 13 55.010 0.25 A 32 LEU CB C 13 45.485 0.25 A 32 LEU CD1 C 13 23.668 0.25 A 32 LEU CD2 C 13 23.668 0.25 A 32 LEU CG C 13 26.361 0.25 A 32 LEU N N 15 126.898 0.20 A 33 THR H H 1 9.159 0.006 A 33 THR HA H 1 4.886 0.006 A 33 THR HB H 1 4.775 0.006 A 33 THR HG2% H 1 1.303 0.006 A 33 THR CA C 13 59.489 0.25 A 33 THR CB C 13 69.241 0.25 A 33 THR CG2 C 13 22.450 0.25 A 33 THR N N 15 121.246 0.20 A 34 PRO HA H 1 4.269 0.006 A 34 PRO HBy H 1 2.380 0.006 A 34 PRO HBx H 1 1.847 0.006 A 34 PRO HDy H 1 3.887 0.006 A 34 PRO HDx H 1 3.802 0.006 A 34 PRO HGy H 1 2.199 0.006 A 34 PRO HGx H 1 1.970 0.006 A 34 PRO C C 13 177.750 0.25 A 34 PRO CA C 13 65.968 0.25 A 34 PRO CB C 13 31.786 0.25 A 34 PRO CD C 13 50.616 0.25 A 34 PRO CG C 13 28.408 0.25 A 35 GLU H H 1 8.148 0.006 A 35 GLU HA H 1 4.351 0.006 A 35 GLU HBy H 1 2.176 0.006 A 35 GLU HBx H 1 1.998 0.006 A 35 GLU HGy H 1 2.246 0.006 A 35 GLU HGx H 1 2.170 0.006 A 35 GLU C C 13 175.720 0.25 A 35 GLU CA C 13 57.085 0.25 A 35 GLU CB C 13 30.299 0.25 A 35 GLU CG C 13 36.704 0.25 A 35 GLU N N 15 112.303 0.20 A 36 ARG H H 1 7.777 0.006 A 36 ARG HA H 1 5.418 0.006 A 36 ARG HBy H 1 1.721 0.006 A 36 ARG HBx H 1 1.580 0.006 A 36 ARG HDx H 1 3.022 0.006 A 36 ARG HDy H 1 3.022 0.006 A 36 ARG HGy H 1 1.585 0.006 A 36 ARG HGx H 1 1.307 0.006 A 36 ARG C C 13 173.610 0.25 A 36 ARG CA C 13 55.576 0.25 A 36 ARG CB C 13 33.324 0.25 A 36 ARG CD C 13 43.714 0.25 A 36 ARG CG C 13 28.347 0.25 A 36 ARG N N 15 122.018 0.20 A 37 GLY H H 1 9.650 0.006 A 37 GLY HAy H 1 5.484 0.006 A 37 GLY HAx H 1 3.554 0.006 A 37 GLY C C 13 171.630 0.25 A 37 GLY CA C 13 44.563 0.25 A 37 GLY N N 15 113.745 0.20 A 38 PHE H H 1 9.138 0.006 A 38 PHE HA H 1 5.472 0.006 A 38 PHE HBx H 1 2.934 0.006 A 38 PHE HBy H 1 2.934 0.006 A 38 PHE HDx H 1 7.031 0.006 A 38 PHE HEx H 1 7.180 0.006 A 38 PHE C C 13 173.180 0.25 A 38 PHE CA C 13 57.234 0.25 A 38 PHE CB C 13 43.107 0.25 A 38 PHE N N 15 124.144 0.20 A 39 ILE H H 1 8.618 0.006 A 39 ILE HA H 1 4.226 0.006 A 39 ILE HB H 1 0.854 0.006 A 39 ILE HD1% H 1 0.984 0.006 A 39 ILE HG12 H 1 1.445 0.006 A 39 ILE HG13 H 1 1.113 0.006 A 39 ILE HG2% H 1 -0.570 0.006 A 39 ILE C C 13 172.950 0.25 A 39 ILE CA C 13 60.357 0.25 A 39 ILE CB C 13 41.488 0.25 A 39 ILE CD1 C 13 17.349 0.25 A 39 ILE CG1 C 13 29.274 0.25 A 39 ILE CG2 C 13 19.414 0.25 A 39 ILE N N 15 126.753 0.20 A 40 ASP H H 1 8.192 0.006 A 40 ASP HA H 1 4.464 0.006 A 40 ASP HBy H 1 3.039 0.006 A 40 ASP HBx H 1 2.422 0.006 A 40 ASP C C 13 176.240 0.25 A 40 ASP CA C 13 52.208 0.25 A 40 ASP CB C 13 41.489 0.25 A 40 ASP N N 15 124.314 0.20 A 41 PHE H H 1 8.165 0.006 A 41 PHE HA H 1 4.007 0.006 A 41 PHE HBy H 1 2.849 0.006 A 41 PHE HBx H 1 2.417 0.006 A 41 PHE HDx H 1 5.532 0.006 A 41 PHE C C 13 175.640 0.25 A 41 PHE CA C 13 58.407 0.25 A 41 PHE CB C 13 38.486 0.25 A 41 PHE N N 15 123.395 0.20 A 42 GLY H H 1 9.003 0.006 A 42 GLY HAy H 1 4.675 0.006 A 42 GLY HAx H 1 3.484 0.006 A 42 GLY CA C 13 45.938 0.25 A 42 GLY N N 15 112.196 0.20 A 43 ASP HA H 1 4.675 0.006 A 43 ASP HBx H 1 2.723 0.006 A 43 ASP HBy H 1 2.723 0.006 A 43 ASP C C 13 176.170 0.25 A 43 ASP CA C 13 55.415 0.25 A 43 ASP CB C 13 41.379 0.25 A 44 SER H H 1 7.743 0.006 A 44 SER HA H 1 5.292 0.006 A 44 SER HBy H 1 3.920 0.006 A 44 SER HBx H 1 3.580 0.006 A 44 SER C C 13 172.190 0.25 A 44 SER CA C 13 57.890 0.25 A 44 SER CB C 13 66.054 0.25 A 44 SER N N 15 112.796 0.20 A 45 ASN H H 1 9.075 0.006 A 45 ASN HA H 1 5.126 0.006 A 45 ASN HBy H 1 2.851 0.006 A 45 ASN HBx H 1 2.458 0.006 A 45 ASN C C 13 172.300 0.25 A 45 ASN CA C 13 52.997 0.25 A 45 ASN CB C 13 42.047 0.25 A 45 ASN N N 15 114.955 0.20 A 46 CYS H H 1 8.757 0.006 A 46 CYS HA H 1 5.652 0.006 A 46 CYS HBx H 1 2.621 0.006 A 46 CYS HBy H 1 2.621 0.006 A 46 CYS C C 13 170.650 0.25 A 46 CYS CA C 13 56.668 0.25 A 46 CYS CB C 13 31.195 0.25 A 46 CYS N N 15 119.184 0.20 A 47 GLU H H 1 9.587 0.006 A 47 GLU HA H 1 5.283 0.006 A 47 GLU HBy H 1 2.407 0.006 A 47 GLU HBx H 1 2.140 0.006 A 47 GLU HGy H 1 2.417 0.006 A 47 GLU HGx H 1 2.330 0.006 A 47 GLU C C 13 174.190 0.25 A 47 GLU CA C 13 54.401 0.25 A 47 GLU CB C 13 33.607 0.25 A 47 GLU CG C 13 36.836 0.25 A 47 GLU N N 15 131.612 0.20 A 48 LEU H H 1 9.523 0.006 A 48 LEU HA H 1 5.314 0.006 A 48 LEU HBy H 1 1.795 0.006 A 48 LEU HBx H 1 1.296 0.006 A 48 LEU HDx% H 1 0.929 0.006 A 48 LEU HDy% H 1 0.929 0.006 A 48 LEU HG H 1 1.030 0.006 A 48 LEU C C 13 174.730 0.25 A 48 LEU CA C 13 53.570 0.25 A 48 LEU CB C 13 46.109 0.25 A 48 LEU CD1 C 13 26.430 0.25 A 48 LEU CD2 C 13 26.430 0.25 A 48 LEU CG C 13 28.518 0.25 A 48 LEU N N 15 125.069 0.20 A 49 LEU H H 1 9.493 0.006 A 49 LEU HA H 1 5.001 0.006 A 49 LEU HBy H 1 1.962 0.006 A 49 LEU HBx H 1 1.504 0.006 A 49 LEU HDx% H 1 1.029 0.006 A 49 LEU HDy% H 1 1.029 0.006 A 49 LEU HG H 1 1.705 0.006 A 49 LEU C C 13 175.310 0.25 A 49 LEU CA C 13 53.809 0.25 A 49 LEU CB C 13 42.880 0.25 A 49 LEU CD1 C 13 25.270 0.25 A 49 LEU CD2 C 13 25.270 0.25 A 49 LEU CG C 13 27.643 0.25 A 49 LEU N N 15 123.714 0.20 A 50 ALA H H 1 8.255 0.006 A 50 ALA HA H 1 4.307 0.006 A 50 ALA HB% H 1 1.117 0.006 A 50 ALA C C 13 174.800 0.25 A 50 ALA CA C 13 51.618 0.25 A 50 ALA CB C 13 18.634 0.25 A 50 ALA N N 15 125.398 0.20 A 51 HIS H H 1 8.053 0.006 A 51 HIS HA H 1 4.953 0.006 A 51 HIS HBy H 1 3.074 0.006 A 51 HIS HBx H 1 2.239 0.006 A 51 HIS HD2 H 1 6.485 0.006 A 51 HIS CA C 13 54.682 0.25 A 51 HIS CB C 13 31.150 0.25 A 51 HIS N N 15 123.172 0.20 A 52 PRO HA H 1 4.385 0.006 A 52 PRO HBx H 1 1.977 0.006 A 52 PRO HBy H 1 2.535 0.006 A 52 PRO HDy H 1 4.000 0.006 A 52 PRO HDx H 1 3.835 0.006 A 52 PRO HGy H 1 2.213 0.006 A 52 PRO HGx H 1 2.097 0.006 A 52 PRO C C 13 176.370 0.25 A 52 PRO CA C 13 65.625 0.25 A 52 PRO CB C 13 32.014 0.25 A 52 PRO CD C 13 51.109 0.25 A 52 PRO CG C 13 28.037 0.25 A 53 ASP H H 1 8.303 0.006 A 53 ASP HA H 1 4.955 0.006 A 53 ASP HBy H 1 3.136 0.006 A 53 ASP HBx H 1 2.695 0.006 A 53 ASP C C 13 177.380 0.25 A 53 ASP CA C 13 52.034 0.25 A 53 ASP CB C 13 41.826 0.25 A 53 ASP N N 15 109.961 0.20 A 54 HIS H H 1 7.379 0.006 A 54 HIS HA H 1 5.421 0.006 A 54 HIS HBy H 1 3.222 0.006 A 54 HIS HBx H 1 2.469 0.006 A 54 HIS HD2 H 1 5.929 0.006 A 54 HIS C C 13 172.470 0.25 A 54 HIS CA C 13 56.943 0.25 A 54 HIS CB C 13 29.909 0.25 A 54 HIS N N 15 114.752 0.20 A 55 VAL H H 1 8.933 0.006 A 55 VAL HA H 1 4.837 0.006 A 55 VAL HB H 1 1.927 0.006 A 55 VAL HGx% H 1 0.901 0.006 A 55 VAL HGy% H 1 0.901 0.006 A 55 VAL C C 13 173.420 0.25 A 55 VAL CA C 13 59.429 0.25 A 55 VAL CB C 13 35.121 0.25 A 55 VAL CG1 C 13 22.098 0.25 A 55 VAL CG2 C 13 22.098 0.25 A 55 VAL N N 15 117.287 0.20 A 56 LEU H H 1 9.004 0.006 A 56 LEU HA H 1 5.466 0.006 A 56 LEU HBy H 1 2.138 0.006 A 56 LEU HBx H 1 1.602 0.006 A 56 LEU HDx% H 1 0.874 0.006 A 56 LEU HDy% H 1 0.874 0.006 A 56 LEU HG H 1 1.095 0.006 A 56 LEU C C 13 175.140 0.25 A 56 LEU CA C 13 53.084 0.25 A 56 LEU CB C 13 44.499 0.25 A 56 LEU CD1 C 13 22.767 0.25 A 56 LEU CD2 C 13 22.767 0.25 A 56 LEU CG C 13 26.172 0.25 A 56 LEU N N 15 130.334 0.20 A 57 MET H H 1 9.381 0.006 A 57 MET HA H 1 5.678 0.006 A 57 MET HBy H 1 2.188 0.006 A 57 MET HBx H 1 1.759 0.006 A 57 MET HGy H 1 2.356 0.006 A 57 MET HGx H 1 2.166 0.006 A 57 MET C C 13 175.160 0.25 A 57 MET CA C 13 54.216 0.25 A 57 MET CB C 13 37.309 0.25 A 57 MET CG C 13 32.374 0.25 A 57 MET N N 15 124.304 0.20 A 58 ILE H H 1 9.552 0.006 A 58 ILE HA H 1 4.957 0.006 A 58 ILE HB H 1 2.072 0.006 A 58 ILE HD1% H 1 0.947 0.006 A 58 ILE HG12 H 1 1.567 0.006 A 58 ILE HG13 H 1 1.098 0.006 A 58 ILE HG2% H 1 0.963 0.006 A 58 ILE C C 13 175.160 0.25 A 58 ILE CA C 13 61.338 0.25 A 58 ILE CB C 13 41.092 0.25 A 58 ILE CD1 C 13 14.599 0.25 A 58 ILE CG1 C 13 27.529 0.25 A 58 ILE CG2 C 13 18.353 0.25 A 58 ILE N N 15 122.359 0.20 A 59 LEU H H 1 9.549 0.006 A 59 LEU HA H 1 5.274 0.006 A 59 LEU HBy H 1 1.545 0.006 A 59 LEU HBx H 1 1.478 0.006 A 59 LEU HDx% H 1 0.431 0.006 A 59 LEU HDy% H 1 0.431 0.006 A 59 LEU HG H 1 0.508 0.006 A 59 LEU C C 13 174.280 0.25 A 59 LEU CA C 13 53.621 0.25 A 59 LEU CB C 13 46.837 0.25 A 59 LEU CD1 C 13 24.474 0.25 A 59 LEU CD2 C 13 24.474 0.25 A 59 LEU CG C 13 26.110 0.25 A 59 LEU N N 15 131.901 0.20 A 60 ASN H H 1 8.516 0.006 A 60 ASN HA H 1 5.851 0.006 A 60 ASN HBy H 1 2.777 0.006 A 60 ASN HBx H 1 2.384 0.006 A 60 ASN C C 13 174.840 0.25 A 60 ASN CA C 13 52.549 0.25 A 60 ASN CB C 13 43.188 0.25 A 60 ASN N N 15 120.142 0.20 A 61 SER H H 1 9.176 0.006 A 61 SER HA H 1 5.295 0.006 A 61 SER HBy H 1 3.824 0.006 A 61 SER HBx H 1 3.387 0.006 A 61 SER CA C 13 57.388 0.25 A 61 SER CB C 13 68.052 0.25 A 61 SER N N 15 116.871 0.20 A 62 PRO HA H 1 4.907 0.006 A 62 PRO HBy H 1 2.371 0.006 A 62 PRO HBx H 1 2.162 0.006 A 62 PRO HDy H 1 3.830 0.006 A 62 PRO HDx H 1 3.691 0.006 A 62 PRO HGy H 1 2.055 0.006 A 62 PRO HGx H 1 2.013 0.006 A 62 PRO C C 13 175.210 0.25 A 62 PRO CA C 13 64.539 0.25 A 62 PRO CB C 13 32.726 0.25 A 62 PRO CD C 13 51.173 0.25 A 62 PRO CG C 13 27.495 0.25 A 63 ASP H H 1 7.228 0.006 A 63 ASP HA H 1 4.630 0.006 A 63 ASP HBx H 1 2.825 0.006 A 63 ASP HBy H 1 2.825 0.006 A 63 ASP C C 13 174.540 0.25 A 63 ASP CA C 13 53.119 0.25 A 63 ASP CB C 13 42.880 0.25 A 63 ASP N N 15 112.313 0.20 A 64 GLU H H 1 8.761 0.006 A 64 GLU HA H 1 3.321 0.006 A 64 GLU HBy H 1 1.750 0.006 A 64 GLU HBx H 1 1.637 0.006 A 64 GLU HGy H 1 1.762 0.006 A 64 GLU HGx H 1 1.513 0.006 A 64 GLU C C 13 178.440 0.25 A 64 GLU CA C 13 59.937 0.25 A 64 GLU CB C 13 29.707 0.25 A 64 GLU CG C 13 37.096 0.25 A 64 GLU N N 15 120.055 0.20 A 65 ASP H H 1 8.332 0.006 A 65 ASP HA H 1 4.414 0.006 A 65 ASP HBx H 1 2.582 0.006 A 65 ASP HBy H 1 2.629 0.006 A 65 ASP C C 13 179.400 0.25 A 65 ASP CA C 13 57.203 0.25 A 65 ASP CB C 13 40.323 0.25 A 65 ASP N N 15 121.933 0.20 A 66 SER H H 1 8.949 0.006 A 66 SER HA H 1 4.169 0.006 A 66 SER HBx H 1 3.776 0.006 A 66 SER HBy H 1 3.776 0.006 A 66 SER C C 13 176.110 0.25 A 66 SER CA C 13 62.032 0.25 A 66 SER CB C 13 62.178 0.25 A 66 SER N N 15 119.726 0.20 A 67 LEU H H 1 7.737 0.006 A 67 LEU HA H 1 4.017 0.006 A 67 LEU HBy H 1 1.760 0.006 A 67 LEU HBx H 1 1.298 0.006 A 67 LEU HDx% H 1 0.714 0.006 A 67 LEU HDy% H 1 0.714 0.006 A 67 LEU HG H 1 0.767 0.006 A 67 LEU C C 13 177.790 0.25 A 67 LEU CA C 13 57.958 0.25 A 67 LEU CB C 13 42.394 0.25 A 67 LEU CD1 C 13 22.655 0.25 A 67 LEU CD2 C 13 22.655 0.25 A 67 LEU CG C 13 26.697 0.25 A 67 LEU N N 15 122.942 0.20 A 68 ALA H H 1 7.483 0.006 A 68 ALA HA H 1 3.780 0.006 A 68 ALA HB% H 1 1.433 0.006 A 68 ALA C C 13 180.410 0.25 A 68 ALA CA C 13 54.782 0.25 A 68 ALA CB C 13 17.857 0.25 A 68 ALA N N 15 119.446 0.20 A 69 HIS H H 1 7.707 0.006 A 69 HIS HA H 1 4.377 0.006 A 69 HIS HBx H 1 3.095 0.006 A 69 HIS HBy H 1 3.095 0.006 A 69 HIS HD2 H 1 6.892 0.006 A 69 HIS C C 13 177.865 0.25 A 69 HIS CA C 13 59.518 0.25 A 69 HIS CB C 13 30.954 0.25 A 69 HIS N N 15 116.881 0.20 A 70 MET H H 1 8.467 0.006 A 70 MET HA H 1 4.087 0.006 A 70 MET HBy H 1 2.003 0.006 A 70 MET HBx H 1 1.515 0.006 A 70 MET HGy H 1 2.547 0.006 A 70 MET HGx H 1 2.240 0.006 A 70 MET C C 13 178.390 0.25 A 70 MET CA C 13 55.584 0.25 A 70 MET CB C 13 29.773 0.25 A 70 MET CG C 13 31.733 0.25 A 70 MET N N 15 116.968 0.20 A 71 GLN H H 1 8.309 0.006 A 71 GLN HA H 1 2.874 0.006 A 71 GLN HBy H 1 1.720 0.006 A 71 GLN HBx H 1 0.766 0.006 A 71 GLN HGy H 1 1.858 0.006 A 71 GLN HGx H 1 -0.214 0.006 A 71 GLN C C 13 178.420 0.25 A 71 GLN CA C 13 58.852 0.25 A 71 GLN CB C 13 27.658 0.25 A 71 GLN CG C 13 34.522 0.25 A 71 GLN N N 15 120.665 0.20 A 72 ASN H H 1 6.899 0.006 A 72 ASN HA H 1 4.596 0.006 A 72 ASN HBy H 1 3.033 0.006 A 72 ASN HBx H 1 2.888 0.006 A 72 ASN C C 13 177.380 0.25 A 72 ASN CA C 13 56.037 0.25 A 72 ASN CB C 13 38.219 0.25 A 72 ASN N N 15 116.271 0.20 A 73 VAL H H 1 8.050 0.006 A 73 VAL HA H 1 3.983 0.006 A 73 VAL HB H 1 1.930 0.006 A 73 VAL HGx% H 1 0.932 0.006 A 73 VAL HGy% H 1 0.716 0.006 A 73 VAL C C 13 180.050 0.25 A 73 VAL CA C 13 66.515 0.25 A 73 VAL CB C 13 32.587 0.25 A 73 VAL CG1 C 13 21.195 0.25 A 73 VAL CG2 C 13 22.655 0.25 A 73 VAL N N 15 121.798 0.20 A 74 VAL H H 1 9.082 0.006 A 74 VAL HA H 1 3.986 0.006 A 74 VAL HB H 1 2.423 0.006 A 74 VAL HGx% H 1 1.375 0.006 A 74 VAL HGy% H 1 1.158 0.006 A 74 VAL C C 13 177.490 0.25 A 74 VAL CA C 13 67.947 0.25 A 74 VAL CB C 13 31.966 0.25 A 74 VAL CG1 C 13 23.032 0.25 A 74 VAL CG2 C 13 23.435 0.25 A 74 VAL N N 15 120.549 0.20 A 75 ALA H H 1 8.285 0.006 A 75 ALA HA H 1 4.108 0.006 A 75 ALA HB% H 1 1.838 0.006 A 75 ALA C C 13 179.320 0.25 A 75 ALA CA C 13 56.117 0.25 A 75 ALA CB C 13 19.867 0.25 A 75 ALA N N 15 120.375 0.20 A 76 ASP H H 1 8.522 0.006 A 76 ASP HA H 1 4.356 0.006 A 76 ASP HBy H 1 2.964 0.006 A 76 ASP HBx H 1 2.764 0.006 A 76 ASP C C 13 179.100 0.25 A 76 ASP CA C 13 57.252 0.25 A 76 ASP CB C 13 41.335 0.25 A 76 ASP N N 15 116.871 0.20 A 77 HIS H H 1 8.162 0.006 A 77 HIS HA H 1 3.847 0.006 A 77 HIS HBy H 1 3.073 0.006 A 77 HIS HBx H 1 2.519 0.006 A 77 HIS HD2 H 1 6.536 0.006 A 77 HIS C C 13 177.440 0.25 A 77 HIS CA C 13 61.636 0.25 A 77 HIS CB C 13 29.328 0.25 A 77 HIS N N 15 116.758 0.20 A 78 LEU H H 1 8.718 0.006 A 78 LEU HA H 1 3.862 0.006 A 78 LEU HBy H 1 1.883 0.006 A 78 LEU HBx H 1 1.427 0.006 A 78 LEU HDx% H 1 0.706 0.006 A 78 LEU HDy% H 1 0.706 0.006 A 78 LEU HG H 1 0.891 0.006 A 78 LEU C C 13 177.720 0.25 A 78 LEU CA C 13 58.746 0.25 A 78 LEU CB C 13 40.324 0.25 A 78 LEU CD1 C 13 22.791 0.25 A 78 LEU CD2 C 13 22.791 0.25 A 78 LEU CG C 13 26.211 0.25 A 78 LEU N N 15 120.332 0.20 A 79 GLN H H 1 8.167 0.006 A 79 GLN HA H 1 3.973 0.006 A 79 GLN HBy H 1 2.263 0.006 A 79 GLN HBx H 1 2.093 0.006 A 79 GLN HGy H 1 2.451 0.006 A 79 GLN HGx H 1 2.311 0.006 A 79 GLN C C 13 178.990 0.25 A 79 GLN CA C 13 58.359 0.25 A 79 GLN CB C 13 29.575 0.25 A 79 GLN CG C 13 34.482 0.25 A 79 GLN N N 15 115.715 0.20 A 80 ARG H H 1 7.835 0.006 A 80 ARG HA H 1 3.990 0.006 A 80 ARG HBx H 1 1.770 0.006 A 80 ARG HBy H 1 1.770 0.006 A 80 ARG HDy H 1 3.001 0.006 A 80 ARG HDx H 1 2.831 0.006 A 80 ARG HGy H 1 1.718 0.006 A 80 ARG HGx H 1 1.516 0.006 A 80 ARG C C 13 178.540 0.25 A 80 ARG CA C 13 58.789 0.25 A 80 ARG CB C 13 30.218 0.25 A 80 ARG CD C 13 43.638 0.25 A 80 ARG CG C 13 27.699 0.25 A 80 ARG N N 15 118.207 0.20 A 81 MET H H 1 7.645 0.006 A 81 MET HA H 1 4.353 0.006 A 81 MET HBy H 1 2.103 0.006 A 81 MET HBx H 1 1.822 0.006 A 81 MET HGy H 1 2.841 0.006 A 81 MET HGx H 1 2.435 0.006 A 81 MET C C 13 176.300 0.25 A 81 MET CA C 13 55.646 0.25 A 81 MET CB C 13 32.620 0.25 A 81 MET CG C 13 32.864 0.25 A 81 MET N N 15 116.250 0.20 A 82 ALA H H 1 7.324 0.006 A 82 ALA HA H 1 4.386 0.006 A 82 ALA HB% H 1 0.913 0.006 A 82 ALA CA C 13 51.004 0.25 A 82 ALA CB C 13 17.678 0.25 A 82 ALA N N 15 123.602 0.20 A 84 SER HA H 1 4.610 0.006 A 84 SER HBy H 1 4.050 0.006 A 84 SER HBx H 1 3.895 0.006 A 84 SER C C 13 173.480 0.25 A 84 SER CA C 13 58.041 0.25 A 84 SER CB C 13 64.139 0.25 A 85 GLU H H 1 7.443 0.006 A 85 GLU HA H 1 4.640 0.006 A 85 GLU HBx H 1 1.958 0.006 A 85 GLU HBy H 1 1.958 0.006 A 85 GLU HGx H 1 2.176 0.006 A 85 GLU HGy H 1 2.176 0.006 A 85 GLU CA C 13 55.058 0.25 A 85 GLU CB C 13 32.203 0.25 A 85 GLU CG C 13 35.322 0.25 A 85 GLU N N 15 119.316 0.20 A 86 SER HA H 1 4.549 0.006 A 86 SER HBy H 1 3.892 0.006 A 86 SER HBx H 1 3.775 0.006 A 86 SER C C 13 174.220 0.25 A 86 SER CA C 13 57.291 0.25 A 86 SER CB C 13 62.819 0.25 A 87 LEU H H 1 9.011 0.006 A 87 LEU HA H 1 4.606 0.006 A 87 LEU HBy H 1 1.581 0.006 A 87 LEU HBx H 1 1.007 0.006 A 87 LEU HDx% H 1 0.814 0.006 A 87 LEU HDy% H 1 0.814 0.006 A 87 LEU HG H 1 0.511 0.006 A 87 LEU C C 13 176.720 0.25 A 87 LEU CA C 13 54.024 0.25 A 87 LEU CB C 13 43.358 0.25 A 87 LEU CD1 C 13 22.190 0.25 A 87 LEU CD2 C 13 22.190 0.25 A 87 LEU CG C 13 26.282 0.25 A 87 LEU N N 15 126.582 0.20 A 88 GLU H H 1 8.530 0.006 A 88 GLU HA H 1 4.541 0.006 A 88 GLU HBx H 1 1.963 0.006 A 88 GLU HBy H 1 1.963 0.006 A 88 GLU HGy H 1 2.224 0.006 A 88 GLU HGx H 1 2.140 0.006 A 88 GLU C C 13 175.340 0.25 A 88 GLU CA C 13 55.555 0.25 A 88 GLU CB C 13 29.970 0.25 A 88 GLU CG C 13 36.003 0.25 A 88 GLU N N 15 123.263 0.20 A 89 ILE H H 1 8.842 0.006 A 89 ILE HA H 1 3.911 0.006 A 89 ILE HB H 1 1.713 0.006 A 89 ILE HD1% H 1 0.894 0.006 A 89 ILE HG12 H 1 1.279 0.006 A 89 ILE HG13 H 1 0.712 0.006 A 89 ILE HG2% H 1 0.352 0.006 A 89 ILE C C 13 173.250 0.25 A 89 ILE CA C 13 61.207 0.25 A 89 ILE CB C 13 38.989 0.25 A 89 ILE CD1 C 13 15.534 0.25 A 89 ILE CG1 C 13 26.866 0.25 A 89 ILE CG2 C 13 16.807 0.25 A 89 ILE N N 15 128.558 0.20 A 90 ALA H H 1 8.651 0.006 A 90 ALA HA H 1 4.733 0.006 A 90 ALA HB% H 1 1.370 0.006 A 90 ALA C C 13 177.040 0.25 A 90 ALA CA C 13 50.598 0.25 A 90 ALA CB C 13 21.517 0.25 A 90 ALA N N 15 131.215 0.20 A 91 TRP H H 1 9.084 0.006 A 91 TRP HA H 1 5.129 0.006 A 91 TRP HBy H 1 3.172 0.006 A 91 TRP HBx H 1 2.867 0.006 A 91 TRP HD1 H 1 6.483 0.006 A 91 TRP HE1 H 1 8.940 0.006 A 91 TRP C C 13 176.725 0.25 A 91 TRP CA C 13 56.263 0.25 A 91 TRP CB C 13 31.282 0.25 A 91 TRP N N 15 125.391 0.20 A 91 TRP NE1 N 15 127.462 0.20 A 92 GLN H H 1 9.712 0.006 A 92 GLN HA H 1 5.078 0.006 A 92 GLN HBy H 1 2.235 0.006 A 92 GLN HBx H 1 2.136 0.006 A 92 GLN HGx H 1 2.470 0.006 A 92 GLN HGy H 1 2.470 0.006 A 92 GLN CA C 13 52.872 0.25 A 92 GLN CB C 13 30.288 0.25 A 92 GLN CG C 13 33.680 0.25 A 92 GLN N N 15 122.696 0.20 A 93 PRO HA H 1 4.689 0.006 A 93 PRO HBy H 1 2.522 0.006 A 93 PRO HBx H 1 2.039 0.006 A 93 PRO HDy H 1 3.966 0.006 A 93 PRO HDx H 1 3.848 0.006 A 93 PRO HGy H 1 2.198 0.006 A 93 PRO HGx H 1 2.152 0.006 A 93 PRO C C 13 176.690 0.25 A 93 PRO CA C 13 63.246 0.25 A 93 PRO CB C 13 32.152 0.25 A 93 PRO CD C 13 51.058 0.25 A 93 PRO CG C 13 27.563 0.25 A 94 ALA H H 1 8.429 0.006 A 94 ALA HA H 1 4.615 0.006 A 94 ALA HB% H 1 1.412 0.006 A 94 ALA C C 13 177.230 0.25 A 94 ALA CA C 13 51.966 0.25 A 94 ALA CB C 13 20.497 0.25 A 94 ALA N N 15 125.566 0.20 A 95 GLU H H 1 8.754 0.006 A 95 GLU HA H 1 4.479 0.006 A 95 GLU HBy H 1 2.139 0.006 A 95 GLU HBx H 1 2.009 0.006 A 95 GLU HGx H 1 2.356 0.006 A 95 GLU HGy H 1 2.356 0.006 A 95 GLU CA C 13 56.146 0.25 A 95 GLU CB C 13 30.856 0.25 A 95 GLU CG C 13 36.223 0.25 A 95 GLU N N 15 121.044 0.20 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 10 THR HA A 10 THR HG2% 1.0 3.0 4.4 2 2 A 10 THR HA A 11 GLU H 1.0 1.8 6.0 3 3 A 10 THR HA A 82 ALA HB% 1.0 3.8 5.2 4 4 A 10 THR HG2% A 10 THR H 1.0 2.9 4.5 5 5 A 10 THR HG2% A 13 ALA HA 1.0 2.7 4.1 6 6 A 10 THR HG2% A 13 ALA H 1.0 2.7 4.2 7 7 A 10 THR HG2% A 16 TYR HBy 1.0 4.5 5.9 8 8 A 10 THR HG2% A 16 TYR HD% 1.0 2.9 4.3 9 9 A 10 THR HG2% A 53 ASP HA 1.0 2.5 3.9 10 10 A 10 THR HG2% A 54 HIS HA 1.0 3.1 4.5 11 11 A 10 THR HG2% A 54 HIS HBy 1.0 3.4 5.3 12 11 A 10 THR HG2% A 54 HIS HBx 1.0 3.4 5.3 13 12 A 10 THR HG2% A 54 HIS H 1.0 3.3 5.6 14 13 A 10 THR HG2% A 55 VAL HB 1.0 2.5 4.5 15 14 A 10 THR HG2% A 55 VAL H 1.0 2.6 4.5 16 15 A 10 THR HG2% A 81 MET HGy 1.0 3.1 4.5 17 16 A 10 THR H A 53 ASP HA 1.0 3.3 4.7 18 17 A 10 THR H A 54 HIS HA 1.0 1.8 6.0 19 18 A 10 THR H A 54 HIS HBx 1.0 2.7 4.3 20 19 A 10 THR H A 54 HIS HBy 1.0 2.8 4.5 21 20 A 10 THR H A 54 HIS H 1.0 3.2 5.2 22 21 A 10 THR H A 55 VAL H 1.0 2.8 4.3 23 22 A 10 THR H A 9 ARG HBx 1.0 1.8 6.0 24 23 A 10 THR H A 9 ARG HGx 1.0 1.8 6.0 25 24 A 11 GLU H A 11 GLU HBx 1.0 1.8 6.0 26 24 A 11 GLU H A 11 GLU HBy 1.0 1.8 6.0 27 25 A 12 SER H A 11 GLU HBx 1.0 3.2 4.6 28 25 A 11 GLU HBy A 12 SER H 1.0 3.2 4.6 29 26 A 13 ALA H A 11 GLU HBx 1.0 3.2 4.6 30 26 A 13 ALA H A 11 GLU HBy 1.0 3.2 4.6 31 27 A 11 GLU H A 11 GLU HGx 1.0 2.5 3.9 32 27 A 11 GLU H A 11 GLU HGy 1.0 2.5 3.9 33 28 A 12 SER H A 11 GLU HGx 1.0 2.8 4.3 34 28 A 12 SER H A 11 GLU HGy 1.0 2.8 4.3 35 29 A 12 SER H A 11 GLU HGx 1.0 3.1 4.5 36 29 A 12 SER H A 11 GLU HGy 1.0 3.1 4.5 37 30 A 13 ALA H A 11 GLU HGx 1.0 3.3 4.7 38 30 A 13 ALA H A 11 GLU HGy 1.0 3.3 4.7 39 31 A 53 ASP HA A 11 GLU HGx 1.0 2.7 4.1 40 31 A 53 ASP HA A 11 GLU HGy 1.0 2.7 4.1 41 32 A 11 GLU HGx A 53 ASP HBy 1.0 3.4 4.8 42 32 A 11 GLU HGy A 53 ASP HBy 1.0 3.4 4.8 43 32 A 53 ASP HBx A 11 GLU HGx 1.0 3.4 4.8 44 32 A 11 GLU HGy A 53 ASP HBx 1.0 3.4 4.8 45 33 A 11 GLU H A 82 ALA HB% 1.0 4.2 5.6 46 34 A 12 SER H A 12 SER HBx 1.0 2.8 4.5 47 35 A 15 ARG HBy A 12 SER HBx 1.0 3.4 5.1 48 35 A 12 SER HBx A 15 ARG HBx 1.0 3.4 5.1 49 36 A 15 ARG H A 12 SER HBx 1.0 3.2 5.5 50 37 A 13 ALA H A 12 SER HBy 1.0 1.8 6.0 51 37 A 13 ALA H A 12 SER HBx 1.0 1.8 6.0 52 38 A 15 ARG HBy A 12 SER HBy 1.0 2.9 5.0 53 38 A 15 ARG HBy A 12 SER HBx 1.0 2.9 5.0 54 39 A 16 TYR HD% A 12 SER HBy 1.0 4.0 5.4 55 39 A 16 TYR HD% A 12 SER HBx 1.0 4.0 5.4 56 40 A 12 SER H A 12 SER HBy 1.0 2.6 4.4 57 41 A 13 ALA H A 12 SER HBy 1.0 3.3 5.2 58 42 A 52 PRO HA A 12 SER HBy 1.0 3.3 4.7 59 43 A 13 ALA H A 12 SER H 1.0 2.7 4.2 60 44 A 13 ALA HA A 13 ALA H 1.0 2.4 4.0 61 45 A 13 ALA HA A 14 ALA H 1.0 3.0 5.2 62 46 A 13 ALA HA A 16 TYR HA 1.0 1.8 6.0 63 47 A 13 ALA HA A 16 TYR HBy 1.0 3.2 4.7 64 48 A 13 ALA HA A 16 TYR HD% 1.0 2.9 4.3 65 49 A 13 ALA HA A 50 ALA HA 1.0 3.5 4.9 66 50 A 13 ALA HA A 50 ALA HB% 1.0 2.9 4.3 67 51 A 13 ALA HA A 51 HIS H 1.0 3.9 5.3 68 52 A 13 ALA HA A 55 VAL HB 1.0 3.1 4.5 69 53 A 13 ALA HA A 55 VAL HGx% 1.0 2.4 3.8 70 53 A 13 ALA HA A 55 VAL HGy% 1.0 2.4 3.8 71 54 A 13 ALA H A 13 ALA HB% 1.0 2.3 3.7 72 55 A 15 ARG H A 13 ALA HB% 1.0 4.2 5.6 73 56 A 16 TYR HD% A 13 ALA HB% 1.0 4.3 5.7 74 57 A 50 ALA HA A 13 ALA HB% 1.0 2.5 4.0 75 58 A 13 ALA HB% A 50 ALA H 1.0 3.5 4.9 76 59 A 13 ALA HB% A 51 HIS HBy 1.0 3.6 5.0 77 59 A 13 ALA HB% A 51 HIS HBx 1.0 3.6 5.0 78 60 A 51 HIS H A 13 ALA HB% 1.0 2.6 4.3 79 61 A 54 HIS HA A 13 ALA HB% 1.0 4.1 5.5 80 62 A 54 HIS H A 13 ALA HB% 1.0 3.3 4.7 81 63 A 55 VAL HB A 13 ALA HB% 1.0 2.5 4.2 82 64 A 13 ALA HB% A 55 VAL HGx% 1.0 2.0 3.4 83 64 A 55 VAL HGy% A 13 ALA HB% 1.0 2.0 3.4 84 65 A 13 ALA H A 14 ALA H 1.0 2.8 4.5 85 66 A 13 ALA H A 15 ARG H 1.0 3.5 4.9 86 67 A 13 ALA H A 50 ALA HA 1.0 1.8 6.0 87 68 A 13 ALA H A 51 HIS HA 1.0 4.0 5.4 88 69 A 13 ALA H A 51 HIS H 1.0 3.9 5.4 89 70 A 13 ALA H A 54 HIS H 1.0 4.3 5.7 90 71 A 14 ALA H A 14 ALA HA 1.0 2.8 4.2 91 72 A 15 ARG H A 14 ALA HA 1.0 2.8 4.6 92 73 A 14 ALA HA A 17 VAL HA 1.0 1.8 6.0 93 74 A 14 ALA HA A 17 VAL HGx% 1.0 2.6 4.5 94 75 A 14 ALA HA A 17 VAL HGy% 1.0 2.9 5.0 95 76 A 14 ALA HA A 17 VAL H 1.0 3.2 4.7 96 77 A 14 ALA HA A 18 ASN H 1.0 3.4 5.0 97 78 A 50 ALA HA A 14 ALA HA 1.0 3.0 4.4 98 79 A 50 ALA HB% A 14 ALA HA 1.0 1.8 6.0 99 80 A 50 ALA H A 14 ALA HA 1.0 3.9 5.3 100 81 A 15 ARG H A 14 ALA HB% 1.0 2.3 4.0 101 82 A 14 ALA HB% A 16 TYR H 1.0 3.1 5.1 102 83 A 18 ASN H A 14 ALA HB% 1.0 3.3 5.2 103 84 A 14 ALA HB% A 34 PRO HA 1.0 3.2 4.6 104 85 A 50 ALA HA A 14 ALA HB% 1.0 3.2 4.6 105 86 A 50 ALA HB% A 14 ALA HB% 1.0 2.2 3.6 106 87 A 50 ALA H A 14 ALA HB% 1.0 3.2 5.3 107 88 A 15 ARG H A 14 ALA H 1.0 2.9 4.3 108 89 A 14 ALA H A 50 ALA HB% 1.0 2.8 4.6 109 90 A 15 ARG HA A 15 ARG HGx 1.0 2.3 3.7 110 90 A 15 ARG HA A 15 ARG HGy 1.0 2.3 3.7 111 91 A 15 ARG H A 15 ARG HA 1.0 2.4 3.8 112 92 A 16 TYR H A 15 ARG HA 1.0 2.9 4.4 113 93 A 17 VAL H A 15 ARG HA 1.0 3.3 5.5 114 94 A 15 ARG HA A 18 ASN HBy 1.0 2.3 3.8 115 95 A 18 ASN H A 15 ARG HA 1.0 2.7 4.1 116 96 A 15 ARG HA A 19 ARG H 1.0 2.4 3.8 117 97 A 16 TYR H A 15 ARG HBx 1.0 2.7 4.1 118 98 A 17 VAL H A 15 ARG HBx 1.0 3.4 4.8 119 99 A 15 ARG HBx A 15 ARG HDx 1.0 2.4 3.8 120 99 A 15 ARG HDy A 15 ARG HBx 1.0 2.4 3.8 121 99 A 15 ARG HBy A 15 ARG HDy 1.0 2.4 3.8 122 99 A 15 ARG HBy A 15 ARG HDx 1.0 2.4 3.8 123 100 A 15 ARG H A 15 ARG HBx 1.0 2.2 3.8 124 100 A 15 ARG HBy A 15 ARG H 1.0 2.2 3.8 125 101 A 15 ARG HBy A 15 ARG H 1.0 2.1 4.0 126 102 A 15 ARG HBy A 16 TYR H 1.0 2.4 3.8 127 103 A 15 ARG H A 15 ARG HDx 1.0 2.8 4.2 128 103 A 15 ARG H A 15 ARG HDy 1.0 2.8 4.2 129 104 A 16 TYR HA A 15 ARG HDx 1.0 3.0 4.4 130 104 A 16 TYR HA A 15 ARG HDy 1.0 3.0 4.4 131 105 A 16 TYR HD% A 15 ARG HDx 1.0 2.9 4.3 132 105 A 16 TYR HD% A 15 ARG HDy 1.0 2.9 4.3 133 106 A 16 TYR H A 15 ARG HDx 1.0 3.2 4.6 134 106 A 16 TYR H A 15 ARG HDy 1.0 3.2 4.6 135 107 A 15 ARG HDy A 18 ASN HBy 1.0 2.5 3.9 136 107 A 15 ARG HDx A 18 ASN HBy 1.0 2.5 3.9 137 108 A 18 ASN H A 15 ARG HDx 1.0 3.8 5.2 138 108 A 18 ASN H A 15 ARG HDy 1.0 3.8 5.2 139 109 A 15 ARG HDy A 19 ARG HDx 1.0 1.8 3.0 140 109 A 15 ARG HDx A 19 ARG HDx 1.0 1.8 3.0 141 109 A 19 ARG HDy A 15 ARG HDx 1.0 1.8 3.0 142 109 A 15 ARG HDy A 19 ARG HDy 1.0 1.8 3.0 143 110 A 15 ARG HDy A 19 ARG HGx 1.0 2.2 4.0 144 110 A 15 ARG HDx A 19 ARG HGx 1.0 2.2 4.0 145 111 A 19 ARG HGy A 15 ARG HDx 1.0 2.1 4.1 146 111 A 15 ARG HDy A 19 ARG HGy 1.0 2.1 4.1 147 112 A 19 ARG H A 15 ARG HDx 1.0 3.1 4.5 148 112 A 19 ARG H A 15 ARG HDy 1.0 3.1 4.5 149 113 A 20 LEU H A 15 ARG HDx 1.0 3.2 5.1 150 113 A 15 ARG HDy A 20 LEU H 1.0 3.2 5.1 151 114 A 15 ARG H A 15 ARG HGx 1.0 3.1 4.5 152 114 A 15 ARG H A 15 ARG HGy 1.0 3.1 4.5 153 115 A 16 TYR HD% A 15 ARG HGx 1.0 3.5 4.9 154 115 A 16 TYR HD% A 15 ARG HGy 1.0 3.5 4.9 155 116 A 16 TYR H A 15 ARG HGx 1.0 2.9 4.3 156 116 A 16 TYR H A 15 ARG HGy 1.0 2.9 4.3 157 117 A 15 ARG HGy A 19 ARG HDx 1.0 3.2 4.6 158 117 A 19 ARG HDy A 15 ARG HGx 1.0 3.2 4.6 159 117 A 15 ARG HGy A 19 ARG HDy 1.0 3.2 4.6 160 117 A 15 ARG HGx A 19 ARG HDx 1.0 3.2 4.6 161 118 A 15 ARG H A 16 TYR H 1.0 2.4 3.9 162 119 A 15 ARG H A 17 VAL H 1.0 3.3 4.8 163 120 A 16 TYR HD% A 16 TYR HA 1.0 2.3 3.7 164 121 A 16 TYR HA A 16 TYR H 1.0 2.8 4.2 165 122 A 16 TYR HA A 17 VAL H 1.0 3.5 4.9 166 123 A 16 TYR H A 16 TYR HBx 1.0 2.6 4.5 167 124 A 17 VAL H A 16 TYR HBx 1.0 2.9 5.4 168 125 A 16 TYR H A 16 TYR HBy 1.0 2.5 4.6 169 126 A 17 VAL H A 16 TYR HBy 1.0 2.8 5.6 170 127 A 78 LEU HDy% A 16 TYR HBy 1.0 2.2 5.1 171 127 A 16 TYR HBy A 78 LEU HDx% 1.0 2.2 5.1 172 128 A 16 TYR HBy A 55 VAL HGx% 1.0 3.8 5.2 173 128 A 16 TYR HBx A 55 VAL HGx% 1.0 3.8 5.2 174 128 A 55 VAL HGy% A 16 TYR HBx 1.0 3.8 5.2 175 128 A 55 VAL HGy% A 16 TYR HBy 1.0 3.8 5.2 176 129 A 16 TYR HBx A 78 LEU HDx% 1.0 2.3 4.7 177 129 A 16 TYR HBy A 78 LEU HDx% 1.0 2.3 4.7 178 129 A 78 LEU HDy% A 16 TYR HBx 1.0 2.3 4.7 179 129 A 78 LEU HDy% A 16 TYR HBy 1.0 2.3 4.7 180 130 A 16 TYR HD% A 16 TYR H 1.0 3.1 4.5 181 131 A 16 TYR HD% A 55 VAL HGx% 1.0 3.2 4.6 182 131 A 16 TYR HD% A 55 VAL HGy% 1.0 3.2 4.6 183 132 A 16 TYR HD% A 78 LEU HDx% 1.0 2.8 4.2 184 132 A 16 TYR HD% A 78 LEU HDy% 1.0 2.8 4.2 185 133 A 17 VAL HA A 16 TYR H 1.0 2.9 5.4 186 134 A 16 TYR H A 17 VAL HB 1.0 3.2 4.6 187 135 A 17 VAL H A 16 TYR H 1.0 2.6 4.2 188 136 A 17 VAL HA A 17 VAL HGx% 1.0 2.0 3.8 189 137 A 17 VAL HA A 17 VAL HGy% 1.0 2.0 3.6 190 138 A 17 VAL HA A 17 VAL H 1.0 2.6 4.1 191 139 A 17 VAL HA A 18 ASN H 1.0 3.1 4.6 192 140 A 17 VAL HA A 19 ARG H 1.0 3.9 5.3 193 141 A 17 VAL HA A 20 LEU HDx% 1.0 2.9 4.9 194 142 A 17 VAL HA A 20 LEU HDy% 1.0 4.1 5.5 195 143 A 17 VAL HA A 20 LEU H 1.0 3.6 5.0 196 144 A 17 VAL HA A 21 CYS H 1.0 3.8 5.2 197 145 A 17 VAL HA A 48 LEU HG 1.0 2.5 3.9 198 146 A 17 VAL H A 17 VAL HB 1.0 2.4 3.8 199 147 A 18 ASN H A 17 VAL HB 1.0 2.3 4.1 200 148 A 17 VAL HB A 37 GLY H 1.0 3.6 5.0 201 149 A 17 VAL HB A 48 LEU HG 1.0 2.9 4.3 202 150 A 17 VAL HGx% A 17 VAL H 1.0 2.3 3.9 203 151 A 17 VAL HGx% A 18 ASN H 1.0 3.2 4.6 204 152 A 17 VAL HGx% A 21 CYS H 1.0 2.6 4.6 205 153 A 17 VAL HGx% A 48 LEU HBx 1.0 2.1 3.5 206 153 A 17 VAL HGx% A 48 LEU HBy 1.0 2.1 3.5 207 154 A 17 VAL HGx% A 48 LEU H 1.0 3.1 4.5 208 155 A 50 ALA HB% A 17 VAL HGx% 1.0 1.8 3.1 209 156 A 17 VAL HGy% A 17 VAL H 1.0 2.4 3.8 210 157 A 17 VAL HGy% A 18 ASN H 1.0 2.8 4.2 211 158 A 17 VAL HGy% A 35 GLU H 1.0 4.6 6.0 212 159 A 17 VAL HGy% A 36 ARG HA 1.0 2.6 4.0 213 160 A 17 VAL HGy% A 36 ARG H 1.0 3.5 4.9 214 161 A 17 VAL HGy% A 37 GLY HAx 1.0 2.7 4.1 215 162 A 17 VAL HGy% A 37 GLY HAx 1.0 2.8 4.2 216 162 A 17 VAL HGy% A 37 GLY HAy 1.0 2.8 4.2 217 163 A 17 VAL HGy% A 37 GLY H 1.0 2.8 4.3 218 164 A 17 VAL HGy% A 48 LEU H 1.0 2.6 4.1 219 165 A 17 VAL HGy% A 49 LEU HBx 1.0 3.3 4.7 220 165 A 17 VAL HGy% A 49 LEU HBy 1.0 3.3 4.7 221 166 A 50 ALA H A 17 VAL HGy% 1.0 2.9 4.3 222 167 A 17 VAL H A 19 ARG H 1.0 3.7 5.1 223 168 A 18 ASN H A 18 ASN HA 1.0 2.5 3.9 224 169 A 19 ARG H A 18 ASN HA 1.0 2.6 4.0 225 170 A 20 LEU H A 18 ASN HA 1.0 3.3 4.7 226 171 A 18 ASN HA A 32 LEU HDx% 1.0 2.5 3.9 227 171 A 18 ASN HA A 32 LEU HDy% 1.0 2.5 3.9 228 172 A 18 ASN H A 18 ASN HBx 1.0 2.2 3.7 229 173 A 19 ARG H A 18 ASN HBx 1.0 2.4 4.1 230 174 A 18 ASN H A 18 ASN HBy 1.0 2.1 3.6 231 175 A 19 ARG H A 18 ASN HBy 1.0 2.2 4.0 232 176 A 18 ASN H A 19 ARG H 1.0 2.7 4.2 233 177 A 18 ASN H A 20 LEU H 1.0 3.7 5.1 234 178 A 18 ASN H A 32 LEU HDx% 1.0 3.4 4.8 235 178 A 18 ASN H A 32 LEU HDy% 1.0 3.4 4.8 236 179 A 18 ASN H A 32 LEU HG 1.0 2.1 4.7 237 180 A 19 ARG HA A 19 ARG HDx 1.0 3.1 4.5 238 180 A 19 ARG HDy A 19 ARG HA 1.0 3.1 4.5 239 181 A 19 ARG HA A 19 ARG HGx 1.0 1.9 3.4 240 182 A 19 ARG H A 19 ARG HA 1.0 2.3 3.7 241 183 A 20 LEU H A 19 ARG HA 1.0 3.0 4.9 242 184 A 21 CYS H A 19 ARG HA 1.0 3.1 4.5 243 185 A 19 ARG HA A 23 HIS H 1.0 3.4 4.8 244 186 A 19 ARG H A 19 ARG HBx 1.0 1.8 6.0 245 186 A 19 ARG H A 19 ARG HBy 1.0 1.8 6.0 246 187 A 19 ARG HDy A 19 ARG HBy 1.0 1.9 4.3 247 187 A 19 ARG HBy A 19 ARG HDx 1.0 1.9 4.3 248 188 A 20 LEU H A 19 ARG HBy 1.0 2.5 4.8 249 189 A 19 ARG H A 19 ARG HDx 1.0 3.1 4.6 250 189 A 19 ARG H A 19 ARG HDy 1.0 3.1 4.6 251 190 A 19 ARG HDy A 22 LYS HDx 1.0 2.8 4.2 252 190 A 19 ARG HDx A 22 LYS HDx 1.0 2.8 4.2 253 190 A 22 LYS HDy A 19 ARG HDx 1.0 2.8 4.2 254 190 A 19 ARG HDy A 22 LYS HDy 1.0 2.8 4.2 255 191 A 19 ARG H A 19 ARG HGx 1.0 2.1 3.9 256 191 A 19 ARG H A 19 ARG HGy 1.0 2.1 3.9 257 192 A 19 ARG H A 19 ARG HBy 1.0 1.8 6.0 258 193 A 19 ARG H A 19 ARG HGy 1.0 1.8 6.0 259 194 A 19 ARG H A 20 LEU HG 1.0 2.5 3.9 260 195 A 19 ARG H A 20 LEU H 1.0 2.6 4.0 261 196 A 1 MET HA A 2 PHE H 1.0 2.0 3.5 262 197 A 1 MET HA A 60 ASN HA 1.0 3.8 5.2 263 198 A 1 MET HA A 61 SER H 1.0 3.1 4.5 264 199 A 1 MET HA A 62 PRO HA 1.0 2.2 3.6 265 200 A 1 MET HA A 62 PRO HBx 1.0 2.3 3.8 266 200 A 1 MET HA A 62 PRO HBy 1.0 2.3 3.8 267 201 A 2 PHE H A 1 MET HBx 1.0 2.3 3.7 268 201 A 2 PHE H A 1 MET HBy 1.0 2.3 3.7 269 202 A 1 MET HBy A 60 ASN HBy 1.0 2.6 4.0 270 202 A 1 MET HBx A 60 ASN HBy 1.0 2.6 4.0 271 202 A 60 ASN HBx A 1 MET HBx 1.0 2.6 4.0 272 202 A 1 MET HBy A 60 ASN HBx 1.0 2.6 4.0 273 203 A 61 SER H A 1 MET HBx 1.0 2.9 4.3 274 203 A 61 SER H A 1 MET HBy 1.0 2.9 4.3 275 204 A 1 MET HBx A 62 PRO HBx 1.0 1.8 3.4 276 204 A 1 MET HBy A 62 PRO HBx 1.0 1.8 3.4 277 204 A 62 PRO HBy A 1 MET HBx 1.0 1.8 3.4 278 204 A 62 PRO HBy A 1 MET HBy 1.0 1.8 3.4 279 205 A 2 PHE H A 1 MET HGx 1.0 2.8 4.2 280 205 A 2 PHE H A 1 MET HGy 1.0 2.8 4.2 281 206 A 20 LEU HDx% A 20 LEU HA 1.0 2.4 3.8 282 207 A 20 LEU HDy% A 20 LEU HA 1.0 2.1 3.6 283 208 A 20 LEU HG A 20 LEU HA 1.0 1.9 4.2 284 209 A 20 LEU H A 20 LEU HA 1.0 2.5 4.2 285 210 A 21 CYS H A 20 LEU HA 1.0 3.0 4.4 286 211 A 20 LEU HA A 23 HIS HBx 1.0 2.2 3.6 287 211 A 20 LEU HA A 23 HIS HBy 1.0 2.2 3.6 288 212 A 23 HIS H A 20 LEU HA 1.0 2.8 4.3 289 213 A 20 LEU HA A 24 TRP H 1.0 2.4 4.3 290 214 A 20 LEU HDy% A 20 LEU HBx 1.0 2.6 4.2 291 215 A 20 LEU H A 20 LEU HBx 1.0 2.2 4.2 292 216 A 21 CYS H A 20 LEU HBx 1.0 2.6 5.2 293 217 A 21 CYS H A 20 LEU HBy 1.0 2.5 4.9 294 218 A 39 ILE HD1% A 20 LEU HBy 1.0 2.4 4.2 295 219 A 30 VAL HGx% A 20 LEU HBx 1.0 2.9 4.5 296 219 A 20 LEU HBy A 30 VAL HGx% 1.0 2.9 4.5 297 220 A 20 LEU H A 20 LEU HDx% 1.0 3.2 4.6 298 221 A 20 LEU HDx% A 24 TRP H 1.0 4.0 5.4 299 222 A 20 LEU HDx% A 48 LEU HG 1.0 2.4 3.8 300 223 A 20 LEU HDx% A 74 VAL HA 1.0 3.2 4.6 301 224 A 20 LEU HDx% A 77 HIS HBy 1.0 3.0 4.4 302 225 A 20 LEU H A 20 LEU HDy% 1.0 3.0 4.4 303 226 A 20 LEU HDy% A 21 CYS H 1.0 3.4 5.2 304 227 A 20 LEU HDy% A 23 HIS H 1.0 4.0 5.4 305 228 A 20 LEU HDy% A 24 TRP H 1.0 4.0 5.4 306 229 A 20 LEU HDy% A 77 HIS HBx 1.0 2.8 4.4 307 230 A 20 LEU H A 20 LEU HG 1.0 2.2 4.1 308 231 A 20 LEU H A 21 CYS H 1.0 2.4 4.1 309 232 A 20 LEU H A 22 LYS H 1.0 3.8 5.2 310 233 A 20 LEU H A 23 HIS H 1.0 3.8 5.2 311 234 A 21 CYS H A 21 CYS HA 1.0 2.5 4.0 312 235 A 22 LYS H A 21 CYS HA 1.0 3.0 4.4 313 236 A 23 HIS H A 21 CYS HA 1.0 3.2 4.6 314 237 A 24 TRP H A 21 CYS HA 1.0 2.6 4.0 315 238 A 39 ILE HD1% A 21 CYS HA 1.0 2.2 3.9 316 239 A 21 CYS HA A 39 ILE HG2% 1.0 4.1 5.5 317 240 A 21 CYS H A 21 CYS HBx 1.0 2.5 4.4 318 240 A 21 CYS H A 21 CYS HBy 1.0 2.5 4.4 319 241 A 21 CYS H A 21 CYS HBy 1.0 2.5 4.6 320 242 A 22 LYS H A 21 CYS HBy 1.0 2.9 5.0 321 243 A 22 LYS H A 21 CYS HBx 1.0 2.8 4.8 322 243 A 22 LYS H A 21 CYS HBy 1.0 2.8 4.8 323 244 A 32 LEU HDy% A 21 CYS HBy 1.0 2.9 4.9 324 244 A 21 CYS HBy A 32 LEU HDx% 1.0 2.9 4.9 325 245 A 21 CYS HBy A 32 LEU HDx% 1.0 3.2 4.7 326 245 A 21 CYS HBx A 32 LEU HDx% 1.0 3.2 4.7 327 245 A 32 LEU HDy% A 21 CYS HBx 1.0 3.2 4.7 328 245 A 32 LEU HDy% A 21 CYS HBy 1.0 3.2 4.7 329 246 A 21 CYS H A 22 LYS H 1.0 2.3 4.0 330 247 A 21 CYS H A 23 HIS H 1.0 2.9 4.9 331 248 A 21 CYS H A 32 LEU HDx% 1.0 3.3 4.7 332 248 A 21 CYS H A 32 LEU HDy% 1.0 3.3 4.7 333 249 A 22 LYS HA A 22 LYS HEx 1.0 3.1 4.5 334 249 A 22 LYS HA A 22 LYS HEy 1.0 3.1 4.5 335 250 A 22 LYS HA A 22 LYS HGy 1.0 2.0 3.8 336 251 A 22 LYS HA A 22 LYS HGy 1.0 2.5 3.9 337 251 A 22 LYS HA A 22 LYS HGx 1.0 2.5 3.9 338 252 A 22 LYS H A 22 LYS HA 1.0 2.3 3.8 339 253 A 23 HIS H A 22 LYS HA 1.0 2.8 4.2 340 254 A 22 LYS HA A 25 GLY H 1.0 2.7 4.3 341 255 A 22 LYS HBx A 22 LYS HDx 1.0 2.1 3.5 342 255 A 22 LYS HBy A 22 LYS HDx 1.0 2.1 3.5 343 255 A 22 LYS HDy A 22 LYS HBx 1.0 2.1 3.5 344 255 A 22 LYS HDy A 22 LYS HBy 1.0 2.1 3.5 345 256 A 22 LYS HBy A 22 LYS HEx 1.0 2.2 4.0 346 256 A 22 LYS HBx A 22 LYS HEx 1.0 2.2 4.0 347 256 A 22 LYS HEy A 22 LYS HBx 1.0 2.2 4.0 348 256 A 22 LYS HEy A 22 LYS HBy 1.0 2.2 4.0 349 257 A 22 LYS H A 22 LYS HBx 1.0 2.1 3.6 350 257 A 22 LYS H A 22 LYS HBy 1.0 2.1 3.6 351 258 A 23 HIS H A 22 LYS HBx 1.0 2.4 3.8 352 258 A 23 HIS H A 22 LYS HBy 1.0 2.4 3.8 353 259 A 22 LYS HEy A 22 LYS HGy 1.0 1.9 4.0 354 259 A 22 LYS HEx A 22 LYS HGy 1.0 1.9 4.0 355 260 A 22 LYS HEy A 22 LYS HGy 1.0 2.6 4.0 356 260 A 22 LYS HEx A 22 LYS HGy 1.0 2.6 4.0 357 260 A 22 LYS HGx A 22 LYS HEx 1.0 2.6 4.0 358 260 A 22 LYS HEy A 22 LYS HGx 1.0 2.6 4.0 359 261 A 22 LYS H A 22 LYS HEx 1.0 3.2 4.7 360 261 A 22 LYS H A 22 LYS HEy 1.0 3.2 4.7 361 262 A 23 HIS H A 22 LYS HEx 1.0 4.2 5.6 362 262 A 23 HIS H A 22 LYS HEy 1.0 4.2 5.6 363 263 A 22 LYS HEy A 32 LEU HDx% 1.0 3.0 4.5 364 263 A 22 LYS HEx A 32 LEU HDx% 1.0 3.0 4.5 365 263 A 32 LEU HDy% A 22 LYS HEx 1.0 3.0 4.5 366 263 A 32 LEU HDy% A 22 LYS HEy 1.0 3.0 4.5 367 264 A 22 LYS H A 22 LYS HGy 1.0 2.6 4.1 368 265 A 23 HIS H A 22 LYS HGy 1.0 3.3 6.0 369 266 A 22 LYS H A 22 LYS HGy 1.0 2.5 4.2 370 266 A 22 LYS H A 22 LYS HGx 1.0 2.5 4.2 371 267 A 23 HIS H A 22 LYS HGy 1.0 4.2 5.6 372 267 A 23 HIS H A 22 LYS HGx 1.0 4.2 5.6 373 268 A 32 LEU HG A 22 LYS HGy 1.0 3.3 4.7 374 268 A 32 LEU HG A 22 LYS HGx 1.0 3.3 4.7 375 269 A 23 HIS H A 22 LYS H 1.0 2.4 4.1 376 270 A 32 LEU HG A 22 LYS H 1.0 1.8 6.0 377 271 A 23 HIS HA A 23 HIS HD2 1.0 2.9 4.3 378 271 A 23 HIS HA A 23 HIS HD1 1.0 2.9 4.3 379 272 A 23 HIS H A 23 HIS HA 1.0 2.3 3.8 380 273 A 24 TRP H A 23 HIS HA 1.0 2.5 3.9 381 274 A 25 GLY H A 23 HIS HA 1.0 3.1 4.5 382 275 A 23 HIS H A 23 HIS HBx 1.0 2.0 3.6 383 275 A 23 HIS H A 23 HIS HBy 1.0 2.0 3.6 384 276 A 24 TRP H A 23 HIS HBx 1.0 2.0 3.6 385 276 A 23 HIS HBy A 24 TRP H 1.0 2.0 3.6 386 277 A 25 GLY H A 23 HIS HBx 1.0 2.8 4.2 387 277 A 23 HIS HBy A 25 GLY H 1.0 2.8 4.2 388 278 A 25 GLY H A 23 HIS HD2 1.0 4.1 5.5 389 278 A 25 GLY H A 23 HIS HD1 1.0 4.1 5.5 390 279 A 21 CYS H A 23 HIS H 1.0 1.8 6.0 391 280 A 23 HIS H A 24 TRP H 1.0 2.6 4.0 392 281 A 23 HIS H A 25 GLY H 1.0 1.8 6.0 393 282 A 23 HIS H A 30 VAL HGy% 1.0 3.5 4.9 394 283 A 25 GLY H A 24 TRP HA 1.0 3.5 4.9 395 284 A 39 ILE HG2% A 24 TRP HA 1.0 4.4 5.8 396 285 A 25 GLY H A 24 TRP HBx 1.0 3.3 4.7 397 286 A 25 GLY H A 24 TRP HBy 1.0 2.9 4.3 398 287 A 39 ILE HG2% A 24 TRP HBy 1.0 3.3 5.2 399 288 A 24 TRP H A 24 TRP HBy 1.0 2.4 4.4 400 288 A 24 TRP H A 24 TRP HBx 1.0 2.4 4.4 401 289 A 28 PHE HD% A 24 TRP HBy 1.0 3.7 5.1 402 289 A 24 TRP HBx A 28 PHE HD% 1.0 3.7 5.1 403 290 A 30 VAL HGy% A 24 TRP HBy 1.0 3.4 4.8 404 290 A 30 VAL HGy% A 24 TRP HBx 1.0 3.4 4.8 405 291 A 39 ILE HG2% A 24 TRP HBy 1.0 3.5 5.2 406 291 A 39 ILE HG2% A 24 TRP HBx 1.0 3.5 5.2 407 292 A 24 TRP H A 25 GLY H 1.0 2.3 4.1 408 293 A 24 TRP H A 39 ILE HD1% 1.0 2.5 4.8 409 294 A 24 TRP H A 39 ILE HG2% 1.0 4.0 5.4 410 295 A 25 GLY H A 25 GLY HAx 1.0 2.1 3.9 411 296 A 28 PHE H A 25 GLY HAx 1.0 3.2 4.6 412 297 A 25 GLY H A 25 GLY HAy 1.0 2.1 3.8 413 298 A 28 PHE H A 25 GLY HAy 1.0 3.2 4.6 414 299 A 30 VAL HB A 25 GLY HAy 1.0 3.0 4.5 415 300 A 30 VAL HGx% A 25 GLY HAy 1.0 2.8 4.2 416 301 A 30 VAL H A 25 GLY HAy 1.0 3.3 5.1 417 302 A 39 ILE HD1% A 25 GLY HAy 1.0 2.6 4.8 418 303 A 30 VAL H A 25 GLY HAx 1.0 3.8 5.2 419 303 A 30 VAL H A 25 GLY HAy 1.0 3.8 5.2 420 304 A 39 ILE HG2% A 25 GLY H 1.0 4.3 5.7 421 305 A 27 LYS HA A 27 LYS HDx 1.0 2.5 3.9 422 305 A 27 LYS HA A 27 LYS HDy 1.0 2.5 3.9 423 306 A 27 LYS HA A 27 LYS HGy 1.0 2.1 3.9 424 307 A 27 LYS HA A 27 LYS HGy 1.0 2.6 4.0 425 307 A 27 LYS HA A 27 LYS HGx 1.0 2.6 4.0 426 308 A 27 LYS HA A 27 LYS H 1.0 3.0 5.4 427 309 A 28 PHE HD% A 27 LYS HA 1.0 3.5 4.9 428 310 A 28 PHE H A 27 LYS HA 1.0 2.8 4.6 429 311 A 27 LYS HDy A 27 LYS HBx 1.0 2.0 4.1 430 311 A 27 LYS HBx A 27 LYS HDx 1.0 2.0 4.1 431 312 A 27 LYS HEy A 27 LYS HBx 1.0 2.6 4.7 432 312 A 27 LYS HBx A 27 LYS HEx 1.0 2.6 4.7 433 313 A 28 PHE HD% A 27 LYS HBx 1.0 3.0 4.4 434 313 A 28 PHE HD% A 27 LYS HBy 1.0 3.0 4.4 435 314 A 28 PHE HE% A 27 LYS HBx 1.0 3.0 4.4 436 314 A 27 LYS HBy A 28 PHE HE% 1.0 3.0 4.4 437 315 A 28 PHE H A 27 LYS HBx 1.0 2.9 4.8 438 315 A 28 PHE H A 27 LYS HBy 1.0 2.9 4.8 439 316 A 27 LYS H A 27 LYS HDx 1.0 3.2 4.6 440 316 A 27 LYS HDy A 27 LYS H 1.0 3.2 4.6 441 317 A 28 PHE HD% A 27 LYS HDx 1.0 2.6 4.0 442 317 A 28 PHE HD% A 27 LYS HDy 1.0 2.6 4.0 443 318 A 28 PHE HE% A 27 LYS HDx 1.0 2.4 3.8 444 318 A 27 LYS HDy A 28 PHE HE% 1.0 2.4 3.8 445 319 A 28 PHE H A 27 LYS HDx 1.0 3.7 5.1 446 319 A 28 PHE H A 27 LYS HDy 1.0 3.7 5.1 447 320 A 27 LYS HGx A 27 LYS HEy 1.0 2.0 3.9 448 320 A 27 LYS HGx A 27 LYS HEx 1.0 2.0 3.9 449 321 A 27 LYS HEx A 27 LYS HGy 1.0 2.1 3.9 450 321 A 27 LYS HEy A 27 LYS HGy 1.0 2.1 3.9 451 322 A 27 LYS H A 27 LYS HEx 1.0 3.6 5.0 452 322 A 27 LYS H A 27 LYS HEy 1.0 3.6 5.0 453 323 A 28 PHE HD% A 27 LYS HEx 1.0 2.6 4.0 454 323 A 28 PHE HD% A 27 LYS HEy 1.0 2.6 4.0 455 324 A 28 PHE HE% A 27 LYS HEx 1.0 2.4 3.8 456 324 A 27 LYS HEy A 28 PHE HE% 1.0 2.4 3.8 457 325 A 28 PHE H A 27 LYS HGy 1.0 3.5 5.2 458 326 A 27 LYS H A 27 LYS HGy 1.0 4.2 5.6 459 326 A 27 LYS HGx A 27 LYS H 1.0 4.2 5.6 460 327 A 28 PHE HD% A 27 LYS HGy 1.0 3.4 4.8 461 327 A 28 PHE HD% A 27 LYS HGx 1.0 3.4 4.8 462 328 A 28 PHE HE% A 27 LYS HGy 1.0 3.4 4.8 463 328 A 27 LYS HGx A 28 PHE HE% 1.0 3.4 4.8 464 329 A 28 PHE H A 27 LYS HGy 1.0 3.8 5.2 465 329 A 28 PHE H A 27 LYS HGx 1.0 3.8 5.2 466 330 A 39 ILE HG2% A 27 LYS H 1.0 4.4 5.8 467 331 A 28 PHE HD% A 28 PHE HA 1.0 2.4 3.8 468 332 A 28 PHE H A 28 PHE HA 1.0 2.7 4.1 469 333 A 28 PHE HA A 29 GLU H 1.0 2.3 3.9 470 334 A 30 VAL HGy% A 28 PHE HA 1.0 3.6 5.0 471 335 A 39 ILE HG2% A 28 PHE HA 1.0 3.9 5.3 472 336 A 28 PHE H A 28 PHE HBx 1.0 2.5 4.5 473 337 A 29 GLU H A 28 PHE HBx 1.0 2.4 4.2 474 338 A 28 PHE H A 28 PHE HBy 1.0 2.6 4.7 475 339 A 39 ILE HG2% A 28 PHE HBy 1.0 2.8 4.8 476 340 A 28 PHE HE% A 28 PHE HBx 1.0 3.2 4.6 477 340 A 28 PHE HE% A 28 PHE HBy 1.0 3.2 4.6 478 341 A 30 VAL HGy% A 28 PHE HBx 1.0 3.3 4.7 479 341 A 30 VAL HGy% A 28 PHE HBy 1.0 3.3 4.7 480 342 A 39 ILE HG2% A 28 PHE HBx 1.0 1.8 6.0 481 342 A 39 ILE HG2% A 28 PHE HBy 1.0 1.8 6.0 482 343 A 28 PHE HD% A 28 PHE H 1.0 3.0 4.4 483 344 A 28 PHE HD% A 29 GLU HBy 1.0 4.0 5.4 484 344 A 28 PHE HD% A 29 GLU HBx 1.0 4.0 5.4 485 345 A 28 PHE HD% A 29 GLU HGy 1.0 3.1 4.5 486 345 A 28 PHE HD% A 29 GLU HGx 1.0 3.1 4.5 487 346 A 30 VAL HGx% A 28 PHE HD% 1.0 3.7 5.1 488 347 A 30 VAL HGy% A 28 PHE HD% 1.0 1.8 6.0 489 348 A 39 ILE HG2% A 28 PHE HD% 1.0 2.9 4.3 490 349 A 28 PHE HD% A 40 ASP H 1.0 3.7 5.1 491 350 A 28 PHE HD% A 41 PHE HA 1.0 2.2 3.6 492 351 A 28 PHE HD% A 42 GLY H 1.0 3.8 5.2 493 352 A 28 PHE H A 29 GLU HGy 1.0 1.8 6.0 494 352 A 28 PHE H A 29 GLU HGx 1.0 1.8 6.0 495 353 A 28 PHE H A 29 GLU H 1.0 3.1 4.5 496 354 A 28 PHE H A 30 VAL H 1.0 4.1 5.5 497 355 A 39 ILE HG2% A 28 PHE H 1.0 2.8 5.4 498 356 A 29 GLU HGx A 29 GLU HA 1.0 1.8 6.0 499 357 A 29 GLU HA A 29 GLU HGy 1.0 1.8 6.0 500 358 A 29 GLU HA A 29 GLU HGy 1.0 2.0 3.4 501 358 A 29 GLU HGx A 29 GLU HA 1.0 2.0 3.4 502 359 A 29 GLU H A 29 GLU HA 1.0 2.2 4.1 503 360 A 30 VAL H A 29 GLU HA 1.0 1.9 3.3 504 361 A 29 GLU H A 29 GLU HBy 1.0 2.0 3.7 505 362 A 29 GLU H A 29 GLU HBy 1.0 2.4 3.8 506 362 A 29 GLU H A 29 GLU HBx 1.0 2.4 3.8 507 363 A 30 VAL H A 29 GLU HBy 1.0 2.5 3.9 508 363 A 30 VAL H A 29 GLU HBx 1.0 2.5 3.9 509 364 A 40 ASP H A 29 GLU HBy 1.0 2.7 4.1 510 364 A 29 GLU HBx A 40 ASP H 1.0 2.7 4.1 511 365 A 29 GLU H A 29 GLU HGy 1.0 2.1 3.7 512 366 A 38 PHE HD% A 29 GLU HGy 1.0 3.0 4.4 513 366 A 29 GLU HGx A 38 PHE HD% 1.0 3.0 4.4 514 367 A 30 VAL H A 29 GLU H 1.0 3.1 4.6 515 368 A 29 GLU H A 39 ILE HA 1.0 3.5 4.9 516 369 A 39 ILE HG2% A 29 GLU H 1.0 3.6 5.2 517 370 A 29 GLU H A 40 ASP H 1.0 3.4 4.8 518 371 A 29 GLU H A 41 PHE HA 1.0 3.4 4.8 519 372 A 2 PHE HA A 3 ARG H 1.0 1.8 3.4 520 373 A 3 ARG H A 2 PHE HBx 1.0 2.8 4.2 521 374 A 2 PHE H A 2 PHE HBy 1.0 2.5 4.3 522 375 A 3 ARG H A 2 PHE HBy 1.0 2.9 4.3 523 376 A 67 LEU HG A 2 PHE HBy 1.0 1.8 6.0 524 377 A 2 PHE HE% A 2 PHE HBx 1.0 3.4 4.8 525 377 A 2 PHE HBy A 2 PHE HE% 1.0 3.4 4.8 526 378 A 2 PHE H A 2 PHE HBx 1.0 2.7 4.6 527 378 A 2 PHE H A 2 PHE HBy 1.0 2.7 4.6 528 379 A 67 LEU HG A 2 PHE HBx 1.0 2.2 3.9 529 379 A 67 LEU HG A 2 PHE HBy 1.0 2.2 3.9 530 380 A 2 PHE H A 2 PHE HD% 1.0 3.0 4.4 531 381 A 3 ARG H A 2 PHE HD% 1.0 3.7 5.1 532 382 A 2 PHE HD% A 64 GLU HA 1.0 1.8 6.0 533 383 A 2 PHE HD% A 64 GLU HGy 1.0 3.1 4.5 534 383 A 2 PHE HD% A 64 GLU HGx 1.0 3.1 4.5 535 384 A 67 LEU HG A 2 PHE HD% 1.0 2.6 4.0 536 385 A 2 PHE HD% A 94 ALA HB% 1.0 3.8 5.2 537 386 A 2 PHE H A 2 PHE HE% 1.0 3.9 5.3 538 387 A 2 PHE HE% A 63 ASP HBx 1.0 2.7 4.1 539 387 A 2 PHE HE% A 63 ASP HBy 1.0 2.7 4.1 540 388 A 2 PHE HE% A 64 GLU HGy 1.0 2.8 4.2 541 388 A 2 PHE HE% A 64 GLU HGx 1.0 2.8 4.2 542 389 A 2 PHE H A 3 ARG H 1.0 3.2 4.7 543 390 A 2 PHE H A 60 ASN HA 1.0 3.7 5.1 544 391 A 2 PHE H A 61 SER H 1.0 3.0 4.4 545 392 A 2 PHE H A 62 PRO HA 1.0 3.4 4.8 546 393 A 2 PHE H A 62 PRO HDx 1.0 3.6 5.0 547 393 A 2 PHE H A 62 PRO HDy 1.0 3.6 5.0 548 394 A 2 PHE H A 67 LEU HDx% 1.0 1.8 6.0 549 394 A 2 PHE H A 67 LEU HDy% 1.0 1.8 6.0 550 395 A 2 PHE H A 67 LEU HG 1.0 1.8 6.0 551 396 A 30 VAL HGx% A 30 VAL HA 1.0 1.8 6.0 552 397 A 30 VAL HGx% A 30 VAL HA 1.0 2.3 3.9 553 398 A 30 VAL HGy% A 30 VAL HA 1.0 1.8 6.0 554 399 A 30 VAL H A 30 VAL HA 1.0 2.7 4.2 555 400 A 30 VAL HA A 31 GLU H 1.0 2.2 3.7 556 401 A 30 VAL HA A 38 PHE H 1.0 3.4 4.8 557 402 A 39 ILE HA A 30 VAL HA 1.0 2.5 4.0 558 403 A 39 ILE HG2% A 30 VAL HA 1.0 3.3 4.7 559 404 A 40 ASP H A 30 VAL HA 1.0 2.9 4.5 560 405 A 39 ILE HG2% A 30 VAL HB 1.0 4.0 5.4 561 406 A 30 VAL HGx% A 30 VAL H 1.0 2.6 4.0 562 407 A 30 VAL HGx% A 38 PHE H 1.0 3.2 4.6 563 408 A 30 VAL HGy% A 30 VAL H 1.0 1.8 6.0 564 409 A 30 VAL H A 29 GLU HBy 1.0 1.8 6.0 565 410 A 30 VAL H A 29 GLU HGx 1.0 1.8 6.0 566 411 A 30 VAL HB A 30 VAL H 1.0 1.8 6.0 567 412 A 30 VAL H A 31 GLU HGx 1.0 1.8 6.0 568 413 A 30 VAL H A 31 GLU H 1.0 3.3 4.9 569 414 A 31 GLU H A 31 GLU HBx 1.0 2.4 4.3 570 415 A 31 GLU HBx A 32 LEU H 1.0 3.0 4.6 571 416 A 32 LEU H A 31 GLU HBy 1.0 3.2 4.6 572 417 A 31 GLU H A 31 GLU HGx 1.0 2.9 4.3 573 418 A 31 GLU HGx A 32 LEU H 1.0 3.2 4.6 574 419 A 30 VAL HB A 31 GLU H 1.0 1.8 6.0 575 420 A 30 VAL HGx% A 31 GLU H 1.0 1.8 6.0 576 421 A 30 VAL HGy% A 31 GLU H 1.0 1.8 6.0 577 422 A 31 GLU H A 31 GLU HBy 1.0 1.8 6.0 578 423 A 31 GLU H A 32 LEU H 1.0 3.8 5.5 579 424 A 31 GLU H A 38 PHE H 1.0 2.6 4.4 580 425 A 39 ILE HA A 31 GLU H 1.0 3.0 4.7 581 426 A 39 ILE HD1% A 31 GLU H 1.0 1.8 6.0 582 427 A 31 GLU H A 39 ILE HG13 1.0 3.8 5.2 583 427 A 31 GLU H A 39 ILE HG12 1.0 3.8 5.2 584 428 A 39 ILE HG2% A 31 GLU H 1.0 4.3 5.8 585 429 A 40 ASP H A 31 GLU H 1.0 3.5 5.3 586 430 A 32 LEU HA A 32 LEU HDx% 1.0 2.3 3.8 587 430 A 32 LEU HDy% A 32 LEU HA 1.0 2.3 3.8 588 431 A 32 LEU HG A 32 LEU HA 1.0 2.2 3.7 589 432 A 32 LEU H A 32 LEU HA 1.0 1.8 6.0 590 433 A 32 LEU HA A 33 THR H 1.0 2.1 3.5 591 434 A 37 GLY HAy A 32 LEU HA 1.0 2.5 4.0 592 435 A 32 LEU HA A 37 GLY HAx 1.0 2.5 3.9 593 435 A 37 GLY HAy A 32 LEU HA 1.0 2.5 3.9 594 436 A 32 LEU H A 32 LEU HBx 1.0 2.9 4.5 595 437 A 33 THR H A 32 LEU HBx 1.0 2.9 4.3 596 438 A 33 THR H A 32 LEU HBx 1.0 3.6 5.0 597 439 A 32 LEU HBy A 32 LEU HDx% 1.0 2.0 4.1 598 439 A 32 LEU HDy% A 32 LEU HBy 1.0 2.0 4.1 599 440 A 32 LEU H A 32 LEU HBy 1.0 2.7 4.7 600 441 A 32 LEU HBy A 37 GLY HAx 1.0 3.4 4.8 601 441 A 37 GLY HAy A 32 LEU HBy 1.0 3.4 4.8 602 442 A 18 ASN HBx A 32 LEU HDx% 1.0 1.8 6.0 603 442 A 18 ASN HBy A 32 LEU HDx% 1.0 1.8 6.0 604 442 A 32 LEU HDy% A 18 ASN HBy 1.0 1.8 6.0 605 442 A 32 LEU HDy% A 18 ASN HBx 1.0 1.8 6.0 606 443 A 22 LYS HEy A 32 LEU HDx% 1.0 1.8 6.0 607 443 A 22 LYS HEx A 32 LEU HDx% 1.0 1.8 6.0 608 443 A 32 LEU HDy% A 22 LYS HEx 1.0 1.8 6.0 609 443 A 32 LEU HDy% A 22 LYS HEy 1.0 1.8 6.0 610 444 A 32 LEU H A 32 LEU HDx% 1.0 3.6 5.1 611 444 A 32 LEU HDy% A 32 LEU H 1.0 3.6 5.1 612 445 A 33 THR H A 32 LEU HDx% 1.0 2.4 4.0 613 445 A 32 LEU HDy% A 33 THR H 1.0 2.4 4.0 614 446 A 32 LEU HDx% A 35 GLU HGy 1.0 1.8 6.0 615 446 A 32 LEU HDy% A 35 GLU HGy 1.0 1.8 6.0 616 446 A 35 GLU HGx A 32 LEU HDx% 1.0 1.8 6.0 617 446 A 32 LEU HDy% A 35 GLU HGx 1.0 1.8 6.0 618 447 A 37 GLY HAy A 32 LEU HDx% 1.0 2.9 4.5 619 447 A 37 GLY HAy A 32 LEU HDy% 1.0 2.9 4.5 620 448 A 32 LEU HDy% A 37 GLY HAx 1.0 3.1 4.5 621 448 A 32 LEU HDx% A 37 GLY HAx 1.0 3.1 4.5 622 448 A 37 GLY HAy A 32 LEU HDx% 1.0 3.1 4.5 623 448 A 37 GLY HAy A 32 LEU HDy% 1.0 3.1 4.5 624 449 A 32 LEU HG A 18 ASN HBy 1.0 1.8 6.0 625 449 A 32 LEU HG A 18 ASN HBx 1.0 1.8 6.0 626 450 A 32 LEU HG A 22 LYS HEx 1.0 1.8 6.0 627 450 A 32 LEU HG A 22 LYS HEy 1.0 1.8 6.0 628 451 A 32 LEU H A 33 THR H 1.0 3.6 5.1 629 452 A 33 THR HA A 33 THR HG2% 1.0 2.2 4.0 630 453 A 33 THR H A 33 THR HA 1.0 3.1 4.5 631 454 A 33 THR HA A 34 PRO HDx 1.0 1.8 6.0 632 454 A 33 THR HA A 34 PRO HDy 1.0 1.8 6.0 633 455 A 33 THR HA A 34 PRO HGx 1.0 3.0 4.4 634 455 A 33 THR HA A 34 PRO HGy 1.0 3.0 4.4 635 456 A 33 THR H A 33 THR HG2% 1.0 2.5 4.2 636 457 A 33 THR HG2% A 34 PRO HDx 1.0 2.6 4.3 637 458 A 33 THR HG2% A 34 PRO HDy 1.0 2.5 4.2 638 459 A 33 THR HG2% A 34 PRO HGx 1.0 3.1 4.5 639 459 A 33 THR HG2% A 34 PRO HGy 1.0 3.1 4.5 640 460 A 36 ARG H A 33 THR HG2% 1.0 2.9 5.4 641 461 A 34 PRO HA A 33 THR H 1.0 3.6 5.0 642 462 A 33 THR H A 34 PRO HDx 1.0 3.7 5.1 643 462 A 33 THR H A 34 PRO HDy 1.0 3.7 5.1 644 463 A 33 THR H A 35 GLU HBy 1.0 3.9 5.3 645 464 A 35 GLU H A 33 THR H 1.0 1.8 6.0 646 465 A 36 ARG H A 33 THR H 1.0 2.9 4.5 647 466 A 37 GLY HAy A 33 THR H 1.0 3.2 4.6 648 467 A 34 PRO HA A 34 PRO HDx 1.0 2.8 4.2 649 467 A 34 PRO HA A 34 PRO HDy 1.0 2.8 4.2 650 468 A 34 PRO HA A 34 PRO HGx 1.0 2.4 4.0 651 469 A 34 PRO HA A 34 PRO HGy 1.0 2.1 3.9 652 470 A 34 PRO HBx A 34 PRO HDx 1.0 3.0 4.4 653 470 A 34 PRO HDy A 34 PRO HBx 1.0 3.0 4.4 654 471 A 35 GLU H A 34 PRO HBx 1.0 3.1 4.5 655 472 A 34 PRO HBy A 34 PRO HDx 1.0 2.6 4.0 656 472 A 34 PRO HDy A 34 PRO HBy 1.0 2.6 4.0 657 473 A 35 GLU H A 34 PRO HBy 1.0 3.0 4.4 658 474 A 35 GLU H A 34 PRO HDx 1.0 3.3 4.7 659 475 A 35 GLU H A 34 PRO HDy 1.0 3.2 4.6 660 476 A 36 ARG H A 34 PRO HDy 1.0 3.7 5.1 661 477 A 35 GLU HA A 35 GLU HGy 1.0 2.2 3.6 662 477 A 35 GLU HGx A 35 GLU HA 1.0 2.2 3.6 663 478 A 35 GLU H A 35 GLU HA 1.0 2.2 3.8 664 479 A 36 ARG H A 35 GLU HA 1.0 2.6 4.1 665 480 A 35 GLU H A 35 GLU HBy 1.0 2.6 4.5 666 481 A 36 ARG H A 35 GLU HBy 1.0 2.8 4.6 667 482 A 35 GLU H A 35 GLU HGy 1.0 3.0 4.4 668 482 A 35 GLU H A 35 GLU HGx 1.0 3.0 4.4 669 483 A 36 ARG H A 35 GLU HGy 1.0 3.5 4.9 670 483 A 36 ARG H A 35 GLU HGx 1.0 3.5 4.9 671 484 A 35 GLU H A 35 GLU HBx 1.0 1.8 6.0 672 485 A 35 GLU H A 35 GLU HGy 1.0 1.8 6.0 673 486 A 35 GLU H A 36 ARG HGy 1.0 3.1 4.5 674 487 A 35 GLU H A 49 LEU HG 1.0 1.8 6.0 675 488 A 36 ARG HA A 36 ARG HDx 1.0 3.0 4.4 676 488 A 36 ARG HA A 36 ARG HDy 1.0 3.0 4.4 677 489 A 36 ARG HA A 36 ARG HGy 1.0 2.2 4.3 678 490 A 36 ARG HA A 36 ARG H 1.0 2.5 4.4 679 491 A 37 GLY H A 36 ARG HA 1.0 2.2 3.6 680 492 A 36 ARG HA A 49 LEU HA 1.0 2.8 4.2 681 493 A 36 ARG HA A 49 LEU HDx% 1.0 2.3 4.6 682 493 A 36 ARG HA A 49 LEU HDy% 1.0 2.3 4.6 683 494 A 50 ALA H A 36 ARG HA 1.0 3.0 4.5 684 495 A 36 ARG H A 36 ARG HBx 1.0 2.6 4.9 685 496 A 37 GLY H A 36 ARG HBx 1.0 2.7 4.9 686 497 A 48 LEU H A 36 ARG HBx 1.0 2.5 3.9 687 498 A 36 ARG H A 36 ARG HBy 1.0 2.4 4.9 688 499 A 49 LEU HA A 36 ARG HBy 1.0 2.9 4.3 689 500 A 36 ARG HBy A 49 LEU HDx% 1.0 2.2 4.4 690 500 A 36 ARG HBx A 49 LEU HDx% 1.0 2.2 4.4 691 500 A 49 LEU HDy% A 36 ARG HBx 1.0 2.2 4.4 692 500 A 49 LEU HDy% A 36 ARG HBy 1.0 2.2 4.4 693 501 A 36 ARG H A 36 ARG HDx 1.0 3.0 4.4 694 501 A 36 ARG H A 36 ARG HDy 1.0 3.0 4.4 695 502 A 37 GLY H A 36 ARG HDx 1.0 3.5 4.9 696 502 A 37 GLY H A 36 ARG HDy 1.0 3.5 4.9 697 503 A 36 ARG HDx A 49 LEU HDx% 1.0 2.4 4.7 698 503 A 36 ARG HDy A 49 LEU HDx% 1.0 2.4 4.7 699 503 A 49 LEU HDy% A 36 ARG HDx 1.0 2.4 4.7 700 503 A 36 ARG HDy A 49 LEU HDy% 1.0 2.4 4.7 701 504 A 48 LEU H A 36 ARG HGx 1.0 3.2 4.6 702 505 A 37 GLY H A 36 ARG HGy 1.0 2.7 4.9 703 506 A 36 ARG H A 35 GLU HBx 1.0 1.8 6.0 704 507 A 36 ARG H A 35 GLU HGy 1.0 1.8 6.0 705 508 A 37 GLY H A 36 ARG H 1.0 3.3 5.1 706 509 A 37 GLY H A 37 GLY HAy 1.0 2.8 4.2 707 510 A 37 GLY HAy A 38 PHE H 1.0 2.4 3.9 708 511 A 37 GLY H A 36 ARG HBy 1.0 1.8 6.0 709 512 A 37 GLY H A 36 ARG HGx 1.0 1.8 6.0 710 513 A 37 GLY H A 38 PHE H 1.0 3.4 4.9 711 514 A 37 GLY H A 49 LEU HA 1.0 3.5 4.9 712 515 A 37 GLY H A 49 LEU HDx% 1.0 2.9 5.5 713 515 A 37 GLY H A 49 LEU HDy% 1.0 2.9 5.5 714 516 A 50 ALA H A 37 GLY H 1.0 3.7 5.2 715 517 A 38 PHE HD% A 38 PHE HA 1.0 2.5 3.9 716 518 A 38 PHE H A 38 PHE HA 1.0 2.1 4.2 717 519 A 38 PHE HA A 39 ILE H 1.0 2.2 3.8 718 520 A 38 PHE HA A 46 CYS H 1.0 3.0 4.4 719 521 A 38 PHE HA A 47 GLU HA 1.0 2.1 4.2 720 522 A 38 PHE HA A 47 GLU HGx 1.0 1.8 6.0 721 523 A 38 PHE HA A 47 GLU HGy 1.0 1.8 6.0 722 524 A 48 LEU H A 38 PHE HA 1.0 2.7 4.3 723 525 A 38 PHE HD% A 38 PHE HBx 1.0 2.2 3.6 724 525 A 38 PHE HD% A 38 PHE HBy 1.0 2.2 3.6 725 526 A 38 PHE HE% A 38 PHE HBx 1.0 3.0 4.4 726 526 A 38 PHE HBy A 38 PHE HE% 1.0 3.0 4.4 727 527 A 38 PHE H A 38 PHE HBx 1.0 2.3 4.0 728 527 A 38 PHE H A 38 PHE HBy 1.0 2.3 4.0 729 528 A 39 ILE H A 38 PHE HBx 1.0 2.7 4.7 730 528 A 39 ILE H A 38 PHE HBy 1.0 2.7 4.7 731 529 A 47 GLU HA A 38 PHE HBx 1.0 3.1 4.5 732 529 A 47 GLU HA A 38 PHE HBy 1.0 3.1 4.5 733 530 A 48 LEU H A 38 PHE HBx 1.0 3.7 5.1 734 530 A 48 LEU H A 38 PHE HBy 1.0 3.7 5.1 735 531 A 38 PHE HD% A 39 ILE H 1.0 3.0 4.4 736 532 A 38 PHE HD% A 40 ASP HBy 1.0 3.1 4.5 737 532 A 38 PHE HD% A 40 ASP HBx 1.0 3.1 4.5 738 533 A 38 PHE HD% A 45 ASN HBy 1.0 2.4 3.8 739 533 A 38 PHE HD% A 45 ASN HBx 1.0 2.4 3.8 740 534 A 38 PHE HD% A 46 CYS H 1.0 3.1 4.5 741 535 A 38 PHE HD% A 47 GLU HA 1.0 2.5 3.9 742 536 A 38 PHE HD% A 47 GLU HBy 1.0 3.1 4.5 743 536 A 38 PHE HD% A 47 GLU HBx 1.0 3.1 4.5 744 537 A 38 PHE HD% A 47 GLU HGy 1.0 2.9 4.3 745 537 A 38 PHE HD% A 47 GLU HGx 1.0 2.9 4.3 746 538 A 48 LEU H A 38 PHE HD% 1.0 4.0 5.4 747 539 A 39 ILE H A 38 PHE HE% 1.0 3.7 5.1 748 540 A 38 PHE HE% A 40 ASP HBy 1.0 3.4 4.8 749 540 A 38 PHE HE% A 40 ASP HBx 1.0 3.4 4.8 750 541 A 38 PHE HE% A 45 ASN HBy 1.0 2.9 4.3 751 541 A 38 PHE HE% A 45 ASN HBx 1.0 2.9 4.3 752 542 A 46 CYS H A 38 PHE HE% 1.0 3.7 5.1 753 543 A 38 PHE H A 37 GLY HAx 1.0 1.8 6.0 754 544 A 38 PHE H A 38 PHE HA 1.0 1.8 6.0 755 545 A 38 PHE H A 39 ILE H 1.0 3.5 5.0 756 546 A 39 ILE HA A 39 ILE HG13 1.0 2.7 4.2 757 547 A 39 ILE HA A 39 ILE HG12 1.0 1.8 6.0 758 548 A 39 ILE HG2% A 39 ILE HA 1.0 1.8 6.0 759 549 A 39 ILE HA A 39 ILE H 1.0 3.0 5.2 760 550 A 40 ASP H A 39 ILE HA 1.0 2.3 3.7 761 551 A 39 ILE HD1% A 39 ILE HB 1.0 2.7 4.1 762 552 A 39 ILE H A 39 ILE HB 1.0 2.6 4.3 763 553 A 40 ASP H A 39 ILE HB 1.0 3.9 5.3 764 554 A 39 ILE HB A 46 CYS HBx 1.0 2.9 4.4 765 554 A 39 ILE HB A 46 CYS HBy 1.0 2.9 4.4 766 555 A 39 ILE HD1% A 46 CYS HBx 1.0 2.7 4.2 767 555 A 39 ILE HD1% A 46 CYS HBy 1.0 2.7 4.2 768 556 A 39 ILE H A 39 ILE HG13 1.0 2.9 4.7 769 557 A 46 CYS HBy A 39 ILE HG13 1.0 2.5 3.9 770 557 A 39 ILE HG13 A 46 CYS HBx 1.0 2.5 3.9 771 558 A 39 ILE HG12 A 39 ILE H 1.0 3.4 5.4 772 559 A 40 ASP H A 39 ILE HG12 1.0 3.6 5.9 773 560 A 39 ILE HG2% A 39 ILE H 1.0 3.4 5.0 774 561 A 39 ILE HG2% A 40 ASP H 1.0 2.9 4.3 775 562 A 39 ILE HG2% A 41 PHE HA 1.0 3.5 5.1 776 563 A 39 ILE HG2% A 41 PHE H 1.0 4.0 5.4 777 564 A 39 ILE HG2% A 46 CYS HBx 1.0 3.7 5.1 778 564 A 39 ILE HG2% A 46 CYS HBy 1.0 3.7 5.1 779 565 A 30 VAL HGx% A 39 ILE H 1.0 1.8 6.0 780 566 A 39 ILE HD1% A 39 ILE H 1.0 1.8 6.0 781 567 A 40 ASP H A 39 ILE H 1.0 3.5 5.1 782 568 A 39 ILE H A 45 ASN HA 1.0 1.8 6.0 783 569 A 39 ILE H A 46 CYS HBx 1.0 3.2 5.1 784 569 A 39 ILE H A 46 CYS HBy 1.0 3.2 5.1 785 570 A 39 ILE H A 46 CYS H 1.0 3.1 4.7 786 571 A 39 ILE H A 47 GLU HA 1.0 2.8 4.2 787 572 A 39 ILE H A 47 GLU HBy 1.0 3.3 4.7 788 573 A 39 ILE H A 47 GLU HGx 1.0 3.0 4.4 789 574 A 48 LEU H A 39 ILE H 1.0 1.8 6.0 790 575 A 3 ARG HA A 3 ARG HDx 1.0 1.8 6.0 791 576 A 3 ARG HA A 3 ARG HDy 1.0 1.8 6.0 792 577 A 3 ARG HA A 3 ARG HGy 1.0 2.7 4.6 793 578 A 3 ARG H A 3 ARG HA 1.0 2.9 4.3 794 579 A 3 ARG HA A 4 SER H 1.0 2.2 3.6 795 580 A 3 ARG HA A 58 ILE HG2% 1.0 4.1 5.7 796 581 A 3 ARG HA A 59 LEU H 1.0 3.8 5.2 797 582 A 3 ARG HA A 5 THR HG2% 1.0 4.5 6.0 798 583 A 3 ARG HA A 67 LEU HDx% 1.0 3.2 4.6 799 583 A 67 LEU HDy% A 3 ARG HA 1.0 3.2 4.6 800 584 A 67 LEU HG A 3 ARG HA 1.0 3.4 4.8 801 585 A 3 ARG H A 3 ARG HBy 1.0 2.4 4.5 802 586 A 3 ARG HBy A 3 ARG HDx 1.0 1.8 6.0 803 586 A 3 ARG HBx A 3 ARG HDx 1.0 1.8 6.0 804 587 A 3 ARG HDy A 3 ARG HBx 1.0 1.8 6.0 805 587 A 3 ARG HBy A 3 ARG HDy 1.0 1.8 6.0 806 588 A 3 ARG H A 3 ARG HBx 1.0 2.9 4.3 807 588 A 3 ARG H A 3 ARG HBy 1.0 2.9 4.3 808 589 A 4 SER H A 3 ARG HBx 1.0 3.1 4.5 809 589 A 4 SER H A 3 ARG HBy 1.0 3.1 4.5 810 590 A 58 ILE HD1% A 3 ARG HBx 1.0 3.8 5.2 811 590 A 3 ARG HBy A 58 ILE HD1% 1.0 3.8 5.2 812 591 A 58 ILE HG2% A 3 ARG HDy 1.0 2.6 4.2 813 592 A 3 ARG H A 3 ARG HDx 1.0 4.2 5.6 814 592 A 3 ARG H A 3 ARG HDy 1.0 4.2 5.6 815 593 A 4 SER H A 3 ARG HDx 1.0 3.7 5.1 816 593 A 4 SER H A 3 ARG HDy 1.0 3.7 5.1 817 594 A 58 ILE HG2% A 3 ARG HDx 1.0 2.9 4.3 818 594 A 58 ILE HG2% A 3 ARG HDy 1.0 2.9 4.3 819 595 A 58 ILE HD1% A 3 ARG HGx 1.0 3.0 4.4 820 596 A 58 ILE HG2% A 3 ARG HGx 1.0 2.7 4.1 821 597 A 60 ASN HA A 3 ARG HGx 1.0 3.0 4.4 822 598 A 61 SER H A 3 ARG HGx 1.0 3.2 4.6 823 599 A 4 SER H A 3 ARG HGy 1.0 2.1 4.2 824 600 A 61 SER H A 3 ARG HGy 1.0 1.8 6.0 825 601 A 3 ARG H A 3 ARG HGx 1.0 3.1 4.5 826 601 A 3 ARG H A 3 ARG HGy 1.0 3.1 4.5 827 602 A 4 SER H A 3 ARG HGx 1.0 2.4 4.3 828 602 A 4 SER H A 3 ARG HGy 1.0 2.4 4.3 829 603 A 3 ARG H A 3 ARG HDx 1.0 1.8 6.0 830 604 A 3 ARG H A 3 ARG HDy 1.0 1.8 6.0 831 605 A 3 ARG H A 4 SER H 1.0 3.1 4.7 832 606 A 3 ARG H A 94 ALA HB% 1.0 3.0 4.6 833 607 A 3 ARG H A 95 GLU HGx 1.0 4.1 5.5 834 607 A 3 ARG H A 95 GLU HGy 1.0 4.1 5.5 835 608 A 40 ASP H A 40 ASP HA 1.0 2.3 4.2 836 609 A 42 GLY H A 40 ASP HA 1.0 2.7 4.1 837 610 A 45 ASN HA A 40 ASP HA 1.0 1.8 6.0 838 611 A 40 ASP HA A 45 ASN HBy 1.0 2.9 4.3 839 611 A 45 ASN HBx A 40 ASP HA 1.0 2.9 4.3 840 612 A 46 CYS H A 40 ASP HA 1.0 3.0 4.4 841 613 A 40 ASP H A 40 ASP HBx 1.0 2.5 3.9 842 614 A 40 ASP HBx A 41 PHE H 1.0 3.3 4.7 843 615 A 42 GLY H A 40 ASP HBx 1.0 3.4 4.8 844 616 A 44 SER H A 40 ASP HBy 1.0 3.2 4.6 845 617 A 29 GLU HGx A 40 ASP H 1.0 1.8 6.0 846 618 A 40 ASP H A 40 ASP HBy 1.0 1.8 6.0 847 619 A 41 PHE HA A 41 PHE HD% 1.0 2.3 3.7 848 620 A 41 PHE HA A 41 PHE H 1.0 2.4 4.3 849 621 A 41 PHE HA A 42 GLY H 1.0 2.9 4.3 850 622 A 41 PHE H A 41 PHE HBx 1.0 2.5 4.4 851 623 A 42 GLY H A 41 PHE HBx 1.0 2.8 4.2 852 624 A 41 PHE HBx A 44 SER HBy 1.0 3.5 4.9 853 624 A 41 PHE HBx A 44 SER HBx 1.0 3.5 4.9 854 625 A 42 GLY H A 41 PHE HBy 1.0 2.6 4.0 855 626 A 41 PHE HBy A 44 SER HBy 1.0 3.4 4.8 856 626 A 44 SER HBx A 41 PHE HBy 1.0 3.4 4.8 857 627 A 41 PHE H A 41 PHE HD% 1.0 3.1 4.5 858 628 A 42 GLY H A 41 PHE HD% 1.0 3.6 5.0 859 629 A 41 PHE HD% A 44 SER HBy 1.0 3.5 4.9 860 629 A 41 PHE HD% A 44 SER HBx 1.0 3.5 4.9 861 630 A 41 PHE H A 40 ASP HBy 1.0 1.8 6.0 862 631 A 41 PHE H A 41 PHE HBy 1.0 1.8 6.0 863 632 A 41 PHE H A 42 GLY HAy 1.0 3.2 4.8 864 633 A 42 GLY H A 41 PHE H 1.0 2.3 3.9 865 634 A 41 PHE H A 44 SER H 1.0 4.1 5.7 866 635 A 41 PHE H A 45 ASN HA 1.0 2.7 4.3 867 636 A 46 CYS H A 41 PHE H 1.0 3.2 4.8 868 637 A 42 GLY H A 42 GLY HAx 1.0 2.2 3.6 869 638 A 42 GLY H A 42 GLY HAy 1.0 2.2 3.7 870 639 A 42 GLY H A 44 SER H 1.0 3.4 4.8 871 640 A 42 GLY H A 45 ASN HA 1.0 3.4 4.8 872 641 A 44 SER H A 43 ASP HBx 1.0 2.8 4.6 873 641 A 44 SER H A 43 ASP HBy 1.0 2.8 4.6 874 642 A 62 PRO HDy A 43 ASP HBy 1.0 3.2 4.9 875 642 A 62 PRO HDy A 43 ASP HBx 1.0 3.2 4.9 876 643 A 43 ASP HBx A 62 PRO HDx 1.0 3.6 5.0 877 643 A 43 ASP HBy A 62 PRO HDx 1.0 3.6 5.0 878 643 A 62 PRO HDy A 43 ASP HBx 1.0 3.6 5.0 879 643 A 62 PRO HDy A 43 ASP HBy 1.0 3.6 5.0 880 644 A 62 PRO HGy A 43 ASP HBx 1.0 1.9 3.8 881 644 A 43 ASP HBy A 62 PRO HGy 1.0 1.9 3.8 882 645 A 43 ASP HBx A 62 PRO HGx 1.0 2.5 3.9 883 645 A 43 ASP HBy A 62 PRO HGx 1.0 2.5 3.9 884 645 A 62 PRO HGy A 43 ASP HBx 1.0 2.5 3.9 885 645 A 43 ASP HBy A 62 PRO HGy 1.0 2.5 3.9 886 646 A 44 SER HA A 45 ASN H 1.0 2.2 3.6 887 647 A 44 SER HA A 61 SER HBx 1.0 2.0 4.3 888 648 A 44 SER HA A 62 PRO HGx 1.0 3.1 4.5 889 648 A 62 PRO HGy A 44 SER HA 1.0 3.1 4.5 890 649 A 44 SER H A 44 SER HBx 1.0 3.1 4.8 891 650 A 44 SER HBx A 61 SER HA 1.0 2.1 3.7 892 651 A 44 SER H A 44 SER HBy 1.0 3.2 5.1 893 652 A 45 ASN H A 44 SER HBy 1.0 2.8 4.6 894 653 A 59 LEU HDy% A 44 SER HBy 1.0 4.3 5.8 895 653 A 44 SER HBy A 59 LEU HDx% 1.0 4.3 5.8 896 654 A 61 SER HA A 44 SER HBy 1.0 2.5 4.1 897 655 A 45 ASN H A 44 SER HBy 1.0 2.5 4.0 898 655 A 44 SER HBx A 45 ASN H 1.0 2.5 4.0 899 656 A 44 SER HBx A 59 LEU HDx% 1.0 3.0 5.4 900 656 A 44 SER HBy A 59 LEU HDx% 1.0 3.0 5.4 901 656 A 59 LEU HDy% A 44 SER HBy 1.0 3.0 5.4 902 656 A 44 SER HBx A 59 LEU HDy% 1.0 3.0 5.4 903 657 A 44 SER HBx A 62 PRO HGy 1.0 2.9 4.3 904 657 A 62 PRO HGy A 44 SER HBy 1.0 2.9 4.3 905 658 A 44 SER HBx A 70 MET HGx 1.0 3.5 4.9 906 658 A 44 SER HBy A 70 MET HGx 1.0 3.5 4.9 907 659 A 70 MET HGy A 44 SER HBy 1.0 3.9 5.3 908 659 A 44 SER HBx A 70 MET HGy 1.0 3.9 5.3 909 660 A 44 SER H A 45 ASN H 1.0 3.3 4.9 910 661 A 45 ASN HA A 45 ASN H 1.0 2.8 4.2 911 662 A 46 CYS H A 45 ASN HA 1.0 2.5 4.1 912 663 A 46 CYS H A 45 ASN HBx 1.0 2.6 4.1 913 664 A 46 CYS H A 45 ASN HBy 1.0 2.4 4.4 914 665 A 46 CYS H A 45 ASN H 1.0 3.6 5.1 915 666 A 45 ASN H A 59 LEU HBy 1.0 1.8 6.0 916 667 A 45 ASN H A 59 LEU HBy 1.0 3.3 4.8 917 668 A 45 ASN H A 59 LEU HBx 1.0 3.3 4.7 918 668 A 45 ASN H A 59 LEU HBy 1.0 3.3 4.7 919 669 A 45 ASN H A 59 LEU HDx% 1.0 3.2 4.9 920 669 A 45 ASN H A 59 LEU HDy% 1.0 3.2 4.9 921 670 A 45 ASN H A 60 ASN H 1.0 2.8 4.3 922 671 A 45 ASN H A 61 SER HBy 1.0 3.9 5.3 923 672 A 45 ASN H A 70 MET HBx 1.0 3.0 4.4 924 673 A 45 ASN H A 70 MET HGy 1.0 3.7 5.1 925 674 A 46 CYS H A 46 CYS HA 1.0 2.8 4.8 926 675 A 46 CYS HA A 47 GLU H 1.0 2.2 3.7 927 676 A 46 CYS HA A 59 LEU HA 1.0 2.4 3.9 928 677 A 59 LEU HBy A 46 CYS HA 1.0 2.5 5.8 929 678 A 46 CYS HA A 59 LEU HDx% 1.0 3.1 4.5 930 678 A 59 LEU HDy% A 46 CYS HA 1.0 3.1 4.5 931 679 A 60 ASN H A 46 CYS HA 1.0 3.1 4.7 932 680 A 46 CYS H A 46 CYS HBx 1.0 2.5 4.3 933 680 A 46 CYS H A 46 CYS HBy 1.0 2.5 4.3 934 681 A 47 GLU H A 46 CYS HBx 1.0 2.9 4.3 935 681 A 46 CYS HBy A 47 GLU H 1.0 2.9 4.3 936 682 A 59 LEU HA A 46 CYS HBx 1.0 2.8 4.2 937 682 A 46 CYS HBy A 59 LEU HA 1.0 2.8 4.2 938 683 A 60 ASN H A 46 CYS HBx 1.0 3.5 4.9 939 683 A 46 CYS HBy A 60 ASN H 1.0 3.5 4.9 940 684 A 74 VAL HGy% A 46 CYS HBx 1.0 3.2 5.0 941 684 A 46 CYS HBy A 74 VAL HGy% 1.0 3.2 5.0 942 685 A 46 CYS H A 47 GLU H 1.0 3.5 4.9 943 686 A 47 GLU HA A 47 GLU HGx 1.0 1.8 6.0 944 687 A 47 GLU HA A 47 GLU HGy 1.0 2.3 4.4 945 687 A 47 GLU HA A 47 GLU HGx 1.0 2.3 4.4 946 688 A 48 LEU H A 47 GLU HA 1.0 2.0 3.7 947 689 A 47 GLU HBx A 47 GLU H 1.0 2.4 4.0 948 690 A 47 GLU HBx A 58 ILE HB 1.0 2.4 3.8 949 691 A 48 LEU H A 47 GLU HGy 1.0 2.6 4.2 950 691 A 48 LEU H A 47 GLU HGx 1.0 2.6 4.2 951 692 A 47 GLU H A 59 LEU HA 1.0 2.5 3.9 952 693 A 48 LEU HA A 48 LEU HDx% 1.0 2.1 3.9 953 693 A 48 LEU HA A 48 LEU HDy% 1.0 2.1 3.9 954 694 A 48 LEU HG A 48 LEU HA 1.0 2.6 4.0 955 695 A 48 LEU HA A 49 LEU H 1.0 2.1 3.7 956 696 A 48 LEU HA A 56 LEU H 1.0 3.7 5.1 957 697 A 48 LEU HA A 57 MET HA 1.0 2.6 4.0 958 698 A 48 LEU HA A 57 MET HGx 1.0 2.3 4.2 959 698 A 48 LEU HA A 57 MET HGy 1.0 2.3 4.2 960 699 A 48 LEU HA A 58 ILE H 1.0 3.0 4.4 961 700 A 48 LEU HBy A 48 LEU H 1.0 2.8 4.2 962 701 A 48 LEU HBy A 49 LEU H 1.0 3.0 4.4 963 702 A 48 LEU HBy A 48 LEU HDx% 1.0 2.0 3.4 964 702 A 48 LEU HDy% A 48 LEU HBx 1.0 2.0 3.4 965 702 A 48 LEU HBy A 48 LEU HDy% 1.0 2.0 3.4 966 702 A 48 LEU HBx A 48 LEU HDx% 1.0 2.0 3.4 967 703 A 48 LEU H A 48 LEU HBx 1.0 2.8 4.2 968 703 A 48 LEU HBy A 48 LEU H 1.0 2.8 4.2 969 704 A 57 MET HA A 48 LEU HDx% 1.0 2.5 4.3 970 704 A 48 LEU HDy% A 57 MET HA 1.0 2.5 4.3 971 705 A 49 LEU HA A 49 LEU HDx% 1.0 2.4 3.8 972 705 A 49 LEU HA A 49 LEU HDy% 1.0 2.4 3.8 973 706 A 49 LEU HG A 49 LEU HA 1.0 2.4 4.2 974 707 A 49 LEU HA A 49 LEU H 1.0 3.0 4.4 975 708 A 50 ALA H A 49 LEU HA 1.0 2.1 3.6 976 709 A 49 LEU HDy% A 49 LEU HBx 1.0 1.8 6.0 977 709 A 49 LEU HBx A 49 LEU HDx% 1.0 1.8 6.0 978 710 A 49 LEU H A 49 LEU HBx 1.0 2.7 4.6 979 711 A 50 ALA H A 49 LEU HBx 1.0 2.8 5.2 980 712 A 56 LEU HA A 49 LEU HBx 1.0 4.0 5.4 981 713 A 56 LEU HG A 49 LEU HBx 1.0 2.6 4.0 982 714 A 49 LEU HBy A 49 LEU H 1.0 2.6 4.6 983 715 A 50 ALA H A 49 LEU HBy 1.0 2.7 4.8 984 716 A 49 LEU H A 49 LEU HDx% 1.0 2.6 4.1 985 716 A 49 LEU HDy% A 49 LEU H 1.0 2.6 4.1 986 717 A 50 ALA H A 49 LEU HDx% 1.0 2.5 4.5 987 717 A 50 ALA H A 49 LEU HDy% 1.0 2.5 4.5 988 718 A 51 HIS HD1 A 49 LEU HDx% 1.0 4.5 5.9 989 718 A 49 LEU HDy% A 51 HIS HD2 1.0 4.5 5.9 990 718 A 51 HIS HD2 A 49 LEU HDx% 1.0 4.5 5.9 991 718 A 49 LEU HDy% A 51 HIS HD1 1.0 4.5 5.9 992 719 A 50 ALA H A 49 LEU HG 1.0 2.5 4.2 993 720 A 50 ALA H A 49 LEU H 1.0 3.4 5.1 994 721 A 49 LEU H A 55 VAL HGx% 1.0 2.5 3.9 995 721 A 55 VAL HGy% A 49 LEU H 1.0 2.5 3.9 996 722 A 49 LEU H A 56 LEU H 1.0 3.0 4.5 997 723 A 49 LEU H A 57 MET HA 1.0 3.4 4.8 998 724 A 49 LEU H A 57 MET HGx 1.0 3.7 5.1 999 725 A 49 LEU H A 57 MET HGy 1.0 2.9 4.3 1000 726 A 4 SER H A 4 SER HA 1.0 2.9 4.3 1001 727 A 4 SER HA A 5 THR H 1.0 2.3 3.7 1002 728 A 4 SER HA A 92 GLN H 1.0 3.7 5.1 1003 729 A 4 SER HA A 93 PRO HBx 1.0 1.8 6.0 1004 729 A 4 SER HA A 93 PRO HBy 1.0 1.8 6.0 1005 730 A 94 ALA HB% A 4 SER HA 1.0 3.1 4.6 1006 731 A 4 SER HA A 94 ALA H 1.0 2.7 4.4 1007 732 A 5 THR H A 4 SER HBx 1.0 2.7 4.1 1008 733 A 94 ALA H A 4 SER HBx 1.0 1.8 6.0 1009 734 A 4 SER H A 4 SER HBy 1.0 3.2 4.8 1010 735 A 5 THR H A 4 SER HBy 1.0 2.8 4.3 1011 736 A 92 GLN H A 4 SER HBy 1.0 3.7 5.4 1012 737 A 94 ALA H A 4 SER HBy 1.0 3.1 4.9 1013 738 A 4 SER HBy A 59 LEU HBx 1.0 3.1 4.5 1014 738 A 4 SER HBx A 59 LEU HBx 1.0 3.1 4.5 1015 738 A 59 LEU HBy A 4 SER HBy 1.0 3.1 4.5 1016 738 A 59 LEU HBy A 4 SER HBx 1.0 3.1 4.5 1017 739 A 64 GLU HGx A 4 SER HBx 1.0 1.8 6.0 1018 739 A 64 GLU HGx A 4 SER HBy 1.0 1.8 6.0 1019 740 A 67 LEU HG A 4 SER HBy 1.0 1.9 3.3 1020 740 A 67 LEU HG A 4 SER HBx 1.0 1.9 3.3 1021 741 A 92 GLN H A 4 SER HBy 1.0 3.5 4.9 1022 741 A 92 GLN H A 4 SER HBx 1.0 3.5 4.9 1023 742 A 93 PRO HA A 4 SER HBy 1.0 3.0 4.4 1024 742 A 4 SER HBx A 93 PRO HA 1.0 3.0 4.4 1025 743 A 93 PRO HBy A 4 SER HBy 1.0 3.5 4.9 1026 743 A 93 PRO HBy A 4 SER HBx 1.0 3.5 4.9 1027 744 A 94 ALA HB% A 4 SER HBx 1.0 2.8 4.8 1028 744 A 94 ALA HB% A 4 SER HBy 1.0 2.8 4.8 1029 745 A 4 SER H A 3 ARG HDx 1.0 1.8 6.0 1030 746 A 4 SER H A 3 ARG HDy 1.0 1.8 6.0 1031 747 A 4 SER H A 58 ILE HA 1.0 4.1 5.5 1032 748 A 4 SER H A 58 ILE HD1% 1.0 4.2 5.6 1033 749 A 4 SER H A 58 ILE HG2% 1.0 3.4 4.8 1034 750 A 4 SER H A 59 LEU H 1.0 2.9 4.5 1035 751 A 4 SER H A 5 THR H 1.0 3.3 4.8 1036 752 A 4 SER H A 67 LEU HDx% 1.0 2.6 4.0 1037 752 A 67 LEU HDy% A 4 SER H 1.0 2.6 4.0 1038 753 A 50 ALA HA A 50 ALA H 1.0 2.6 4.3 1039 754 A 50 ALA HA A 51 HIS H 1.0 2.1 3.5 1040 755 A 55 VAL HB A 50 ALA HA 1.0 3.5 4.9 1041 756 A 50 ALA HA A 56 LEU H 1.0 3.3 4.7 1042 757 A 50 ALA HB% A 50 ALA H 1.0 2.4 3.8 1043 758 A 50 ALA HB% A 51 HIS H 1.0 2.7 4.2 1044 759 A 51 HIS H A 50 ALA H 1.0 3.3 4.8 1045 760 A 51 HIS H A 51 HIS HA 1.0 2.7 4.1 1046 761 A 51 HIS HA A 52 PRO HDx 1.0 2.2 3.7 1047 762 A 51 HIS HA A 52 PRO HDy 1.0 2.2 3.8 1048 763 A 54 HIS H A 51 HIS HA 1.0 1.8 6.0 1049 764 A 51 HIS H A 51 HIS HBx 1.0 2.4 4.2 1050 765 A 51 HIS HBx A 52 PRO HDy 1.0 2.7 4.1 1051 765 A 51 HIS HBx A 52 PRO HDx 1.0 2.7 4.1 1052 766 A 54 HIS H A 51 HIS HBx 1.0 2.5 4.4 1053 767 A 51 HIS H A 51 HIS HBy 1.0 2.6 4.2 1054 768 A 54 HIS H A 51 HIS HBy 1.0 2.4 4.4 1055 769 A 51 HIS HD2 A 51 HIS HBy 1.0 3.2 4.6 1056 769 A 51 HIS HBx A 51 HIS HD2 1.0 3.2 4.6 1057 770 A 53 ASP H A 51 HIS HBy 1.0 2.6 4.0 1058 770 A 51 HIS HBx A 53 ASP H 1.0 2.6 4.0 1059 771 A 51 HIS H A 51 HIS HD2 1.0 3.8 5.2 1060 772 A 51 HIS H A 52 PRO HDx 1.0 3.3 4.7 1061 773 A 51 HIS H A 52 PRO HDy 1.0 3.4 4.8 1062 774 A 51 HIS H A 53 ASP H 1.0 4.1 5.5 1063 775 A 54 HIS H A 51 HIS H 1.0 2.9 4.5 1064 776 A 55 VAL HB A 51 HIS H 1.0 3.3 4.7 1065 777 A 51 HIS H A 55 VAL HGx% 1.0 3.0 4.6 1066 777 A 51 HIS H A 55 VAL HGy% 1.0 3.0 4.6 1067 778 A 51 HIS H A 56 LEU H 1.0 3.3 5.0 1068 779 A 52 PRO HA A 52 PRO HDx 1.0 3.0 4.7 1069 780 A 52 PRO HA A 52 PRO HGx 1.0 2.4 4.1 1070 781 A 52 PRO HA A 52 PRO HGy 1.0 2.3 3.8 1071 782 A 52 PRO HA A 53 ASP H 1.0 3.3 4.7 1072 783 A 53 ASP H A 52 PRO HBy 1.0 3.0 4.4 1073 784 A 53 ASP H A 52 PRO HBx 1.0 3.1 4.5 1074 785 A 52 PRO HDy A 52 PRO HBx 1.0 2.4 3.8 1075 785 A 52 PRO HDy A 52 PRO HBy 1.0 2.4 3.8 1076 786 A 53 ASP HA A 52 PRO HBy 1.0 3.5 4.9 1077 786 A 53 ASP HA A 52 PRO HBx 1.0 3.5 4.9 1078 787 A 53 ASP H A 52 PRO HDx 1.0 3.6 5.1 1079 788 A 54 HIS H A 52 PRO HDx 1.0 1.8 6.0 1080 789 A 52 PRO HDy A 53 ASP H 1.0 3.2 5.0 1081 790 A 54 HIS H A 52 PRO HDy 1.0 3.1 4.5 1082 791 A 53 ASP H A 52 PRO HGx 1.0 2.8 6.0 1083 792 A 53 ASP H A 52 PRO HGy 1.0 3.3 4.7 1084 793 A 53 ASP HA A 53 ASP H 1.0 2.7 4.1 1085 794 A 53 ASP HBx A 53 ASP H 1.0 2.6 4.0 1086 795 A 53 ASP H A 53 ASP HBy 1.0 3.0 4.4 1087 796 A 54 HIS H A 53 ASP HBy 1.0 3.1 4.5 1088 797 A 54 HIS H A 53 ASP H 1.0 1.8 6.0 1089 798 A 54 HIS HA A 54 HIS H 1.0 2.8 4.8 1090 799 A 54 HIS HA A 55 VAL H 1.0 2.5 3.9 1091 800 A 54 HIS HBx A 54 HIS H 1.0 2.9 4.3 1092 801 A 54 HIS HBx A 55 VAL H 1.0 2.6 4.1 1093 802 A 54 HIS H A 54 HIS HBy 1.0 2.7 4.1 1094 803 A 55 VAL H A 54 HIS HBy 1.0 2.6 4.1 1095 804 A 54 HIS HBx A 9 ARG HBx 1.0 1.8 6.0 1096 804 A 9 ARG HBx A 54 HIS HBy 1.0 1.8 6.0 1097 805 A 54 HIS HBx A 9 ARG HBy 1.0 1.8 6.0 1098 805 A 9 ARG HBy A 54 HIS HBy 1.0 1.8 6.0 1099 806 A 54 HIS HD2 A 56 LEU HBx 1.0 4.1 5.5 1100 806 A 54 HIS HD1 A 56 LEU HBx 1.0 4.1 5.5 1101 806 A 56 LEU HBy A 54 HIS HD2 1.0 4.1 5.5 1102 806 A 54 HIS HD1 A 56 LEU HBy 1.0 4.1 5.5 1103 807 A 54 HIS HD1 A 56 LEU HDx% 1.0 3.2 4.6 1104 807 A 54 HIS HD2 A 56 LEU HDx% 1.0 3.2 4.6 1105 807 A 56 LEU HDy% A 54 HIS HD2 1.0 3.2 4.6 1106 807 A 54 HIS HD1 A 56 LEU HDy% 1.0 3.2 4.6 1107 808 A 56 LEU HG A 54 HIS HD2 1.0 3.0 4.4 1108 808 A 56 LEU HG A 54 HIS HD1 1.0 3.0 4.4 1109 809 A 54 HIS H A 55 VAL H 1.0 3.2 5.3 1110 810 A 56 LEU H A 55 VAL HA 1.0 2.2 3.6 1111 811 A 55 VAL HB A 55 VAL H 1.0 2.4 4.1 1112 812 A 55 VAL HB A 56 LEU H 1.0 2.8 4.2 1113 813 A 55 VAL H A 55 VAL HGx% 1.0 2.6 4.0 1114 813 A 55 VAL H A 55 VAL HGy% 1.0 2.6 4.0 1115 814 A 56 LEU H A 55 VAL HGx% 1.0 2.5 3.9 1116 814 A 55 VAL HGy% A 56 LEU H 1.0 2.5 3.9 1117 815 A 56 LEU HA A 56 LEU HDx% 1.0 2.3 3.7 1118 815 A 56 LEU HA A 56 LEU HDy% 1.0 2.3 3.7 1119 816 A 56 LEU HA A 56 LEU HG 1.0 2.7 4.2 1120 817 A 56 LEU H A 56 LEU HA 1.0 2.9 4.6 1121 818 A 56 LEU HA A 57 MET H 1.0 2.2 3.8 1122 819 A 56 LEU HDy% A 56 LEU HBx 1.0 2.2 4.3 1123 819 A 56 LEU HBx A 56 LEU HDx% 1.0 2.2 4.3 1124 820 A 56 LEU H A 56 LEU HBx 1.0 2.7 4.5 1125 821 A 56 LEU H A 56 LEU HBy 1.0 2.5 4.6 1126 822 A 56 LEU HBy A 57 MET H 1.0 2.5 4.9 1127 823 A 56 LEU HBy A 58 ILE HG13 1.0 2.3 3.7 1128 823 A 56 LEU HBx A 58 ILE HG13 1.0 2.3 3.7 1129 824 A 57 MET H A 56 LEU HDx% 1.0 2.3 3.9 1130 824 A 56 LEU HDy% A 57 MET H 1.0 2.3 3.9 1131 825 A 56 LEU HDy% A 58 ILE HG13 1.0 1.9 3.3 1132 825 A 56 LEU HDx% A 58 ILE HG13 1.0 1.9 3.3 1133 826 A 56 LEU H A 56 LEU HG 1.0 2.6 4.1 1134 827 A 56 LEU HG A 57 MET H 1.0 2.7 4.3 1135 828 A 56 LEU H A 57 MET H 1.0 3.6 5.0 1136 829 A 57 MET HA A 57 MET HGx 1.0 2.8 4.5 1137 830 A 57 MET HA A 57 MET H 1.0 2.9 4.6 1138 831 A 57 MET HA A 58 ILE H 1.0 2.3 3.8 1139 832 A 57 MET H A 57 MET HBy 1.0 2.9 5.0 1140 833 A 58 ILE H A 57 MET HBy 1.0 2.9 4.6 1141 834 A 57 MET H A 57 MET HBx 1.0 2.4 5.0 1142 834 A 57 MET H A 57 MET HBy 1.0 2.4 5.0 1143 835 A 58 ILE H A 57 MET HBx 1.0 3.5 4.9 1144 835 A 58 ILE H A 57 MET HBy 1.0 3.5 4.9 1145 836 A 57 MET HGy A 78 LEU HG 1.0 2.9 4.3 1146 837 A 58 ILE H A 57 MET HGx 1.0 3.2 4.6 1147 837 A 57 MET HGy A 58 ILE H 1.0 3.2 4.6 1148 838 A 57 MET H A 57 MET HBx 1.0 1.8 6.0 1149 839 A 57 MET HGy A 57 MET H 1.0 1.8 6.0 1150 840 A 58 ILE H A 57 MET H 1.0 3.2 4.8 1151 841 A 58 ILE HG2% A 58 ILE HA 1.0 2.4 4.1 1152 842 A 58 ILE H A 58 ILE HA 1.0 2.4 4.6 1153 843 A 58 ILE HD1% A 58 ILE HB 1.0 2.1 3.6 1154 844 A 58 ILE HB A 58 ILE H 1.0 2.4 3.9 1155 845 A 58 ILE H A 58 ILE HG12 1.0 3.0 4.4 1156 846 A 58 ILE HG2% A 59 LEU H 1.0 2.4 4.0 1157 847 A 58 ILE H A 58 ILE HG13 1.0 2.3 4.2 1158 847 A 58 ILE H A 58 ILE HG12 1.0 2.3 4.2 1159 848 A 58 ILE H A 74 VAL HGx% 1.0 4.1 5.5 1160 849 A 59 LEU HA A 59 LEU HDx% 1.0 2.6 4.1 1161 849 A 59 LEU HDy% A 59 LEU HA 1.0 2.6 4.1 1162 850 A 59 LEU HA A 59 LEU HG 1.0 1.8 6.0 1163 851 A 59 LEU H A 59 LEU HA 1.0 2.8 4.2 1164 852 A 60 ASN H A 59 LEU HA 1.0 2.2 3.6 1165 853 A 60 ASN H A 59 LEU HBx 1.0 1.8 6.0 1166 853 A 59 LEU HBy A 60 ASN H 1.0 1.8 6.0 1167 854 A 74 VAL HGy% A 59 LEU HBx 1.0 3.6 5.0 1168 854 A 59 LEU HBy A 74 VAL HGy% 1.0 3.6 5.0 1169 855 A 59 LEU HDy% A 59 LEU HBx 1.0 1.8 6.0 1170 855 A 59 LEU HBx A 59 LEU HDx% 1.0 1.8 6.0 1171 856 A 59 LEU HDy% A 59 LEU HBy 1.0 1.8 6.0 1172 856 A 59 LEU HBy A 59 LEU HDx% 1.0 1.8 6.0 1173 857 A 60 ASN H A 59 LEU HDx% 1.0 2.8 4.4 1174 857 A 59 LEU HDy% A 60 ASN H 1.0 2.8 4.4 1175 858 A 59 LEU HDx% A 70 MET HBx 1.0 2.9 4.3 1176 858 A 59 LEU HDy% A 70 MET HBx 1.0 2.9 4.3 1177 858 A 70 MET HBy A 59 LEU HDx% 1.0 2.9 4.3 1178 858 A 59 LEU HDy% A 70 MET HBy 1.0 2.9 4.3 1179 859 A 59 LEU HDx% A 70 MET HBx 1.0 3.1 4.5 1180 859 A 59 LEU HDy% A 70 MET HBx 1.0 3.1 4.5 1181 859 A 70 MET HBy A 59 LEU HDx% 1.0 3.1 4.5 1182 859 A 59 LEU HDy% A 70 MET HBy 1.0 3.1 4.5 1183 860 A 71 GLN HA A 59 LEU HDx% 1.0 2.6 4.2 1184 860 A 59 LEU HDy% A 71 GLN HA 1.0 2.6 4.2 1185 861 A 59 LEU H A 59 LEU HG 1.0 2.9 4.3 1186 862 A 60 ASN H A 59 LEU HG 1.0 1.8 6.0 1187 863 A 59 LEU HG A 67 LEU H 1.0 3.8 5.2 1188 864 A 59 LEU HG A 68 ALA H 1.0 3.4 4.8 1189 865 A 59 LEU HG A 71 GLN HGx 1.0 2.2 3.6 1190 866 A 59 LEU HG A 71 GLN HGy 1.0 2.5 3.9 1191 867 A 59 LEU HG A 71 GLN H 1.0 2.5 4.1 1192 868 A 59 LEU H A 60 ASN H 1.0 3.2 5.0 1193 869 A 59 LEU H A 67 LEU HDx% 1.0 3.7 5.3 1194 869 A 67 LEU HDy% A 59 LEU H 1.0 3.7 5.3 1195 870 A 94 ALA HB% A 59 LEU H 1.0 4.3 5.7 1196 871 A 5 THR HA A 56 LEU HDx% 1.0 3.7 5.1 1197 871 A 56 LEU HDy% A 5 THR HA 1.0 3.7 5.1 1198 872 A 57 MET H A 5 THR HA 1.0 3.8 5.2 1199 873 A 58 ILE HA A 5 THR HA 1.0 2.7 4.1 1200 874 A 58 ILE HD1% A 5 THR HA 1.0 2.8 5.5 1201 875 A 58 ILE HG12 A 5 THR HA 1.0 3.3 4.7 1202 876 A 59 LEU H A 5 THR HA 1.0 3.0 4.6 1203 877 A 5 THR HG2% A 5 THR HA 1.0 2.6 4.0 1204 878 A 5 THR H A 5 THR HA 1.0 1.8 6.0 1205 879 A 5 THR HA A 6 SER H 1.0 2.2 3.8 1206 880 A 5 THR HB A 56 LEU HDx% 1.0 2.5 4.0 1207 880 A 56 LEU HDy% A 5 THR HB 1.0 2.5 4.0 1208 881 A 57 MET H A 5 THR HB 1.0 4.0 5.4 1209 882 A 5 THR HB A 58 ILE HG13 1.0 3.1 4.5 1210 883 A 5 THR H A 5 THR HB 1.0 3.4 4.8 1211 884 A 6 SER H A 5 THR HB 1.0 2.4 4.1 1212 885 A 5 THR HG2% A 57 MET HA 1.0 3.7 6.0 1213 886 A 5 THR HG2% A 57 MET H 1.0 3.7 5.1 1214 887 A 5 THR HG2% A 58 ILE HA 1.0 2.4 4.4 1215 888 A 5 THR HG2% A 58 ILE HG13 1.0 2.3 4.5 1216 889 A 58 ILE HG2% A 5 THR HG2% 1.0 1.9 3.7 1217 890 A 5 THR HG2% A 5 THR H 1.0 3.1 4.5 1218 891 A 5 THR HG2% A 6 SER H 1.0 2.5 4.4 1219 892 A 5 THR H A 91 TRP HBy 1.0 3.8 5.2 1220 892 A 5 THR H A 91 TRP HBx 1.0 3.8 5.2 1221 893 A 5 THR H A 92 GLN H 1.0 2.9 4.3 1222 894 A 5 THR H A 94 ALA H 1.0 3.2 4.7 1223 895 A 60 ASN HA A 60 ASN H 1.0 2.7 4.3 1224 896 A 60 ASN HA A 61 SER H 1.0 2.1 3.6 1225 897 A 60 ASN HBx A 60 ASN H 1.0 2.7 5.1 1226 898 A 61 SER H A 60 ASN HBx 1.0 2.9 5.0 1227 899 A 60 ASN H A 60 ASN HBy 1.0 2.7 4.5 1228 900 A 61 SER H A 60 ASN HBy 1.0 2.7 5.0 1229 901 A 60 ASN H A 59 LEU HBx 1.0 1.8 6.0 1230 902 A 59 LEU HBy A 60 ASN H 1.0 1.8 6.0 1231 903 A 61 SER H A 60 ASN H 1.0 3.4 4.8 1232 904 A 61 SER H A 61 SER HA 1.0 3.0 4.4 1233 905 A 61 SER H A 61 SER HBx 1.0 2.8 5.1 1234 906 A 67 LEU HBy A 61 SER HBx 1.0 2.9 5.4 1235 906 A 61 SER HBx A 67 LEU HBx 1.0 2.9 5.4 1236 907 A 61 SER H A 61 SER HBy 1.0 3.1 4.8 1237 908 A 63 ASP H A 61 SER HBy 1.0 2.8 4.8 1238 909 A 67 LEU HDy% A 61 SER HBy 1.0 2.7 4.2 1239 909 A 61 SER HBy A 67 LEU HDx% 1.0 2.7 4.2 1240 910 A 61 SER HBx A 62 PRO HDx 1.0 2.6 4.3 1241 910 A 61 SER HBy A 62 PRO HDx 1.0 2.6 4.3 1242 910 A 62 PRO HDy A 61 SER HBy 1.0 2.6 4.3 1243 910 A 62 PRO HDy A 61 SER HBx 1.0 2.6 4.3 1244 911 A 63 ASP H A 61 SER HBy 1.0 2.1 4.8 1245 911 A 63 ASP H A 61 SER HBx 1.0 2.1 4.8 1246 912 A 66 SER H A 61 SER HBy 1.0 4.0 5.4 1247 912 A 61 SER HBx A 66 SER H 1.0 4.0 5.4 1248 913 A 67 LEU HA A 61 SER HBy 1.0 2.6 4.4 1249 913 A 61 SER HBx A 67 LEU HA 1.0 2.6 4.4 1250 914 A 61 SER HBx A 67 LEU HDx% 1.0 3.0 4.4 1251 914 A 61 SER HBy A 67 LEU HDx% 1.0 3.0 4.4 1252 914 A 67 LEU HDy% A 61 SER HBy 1.0 3.0 4.4 1253 914 A 67 LEU HDy% A 61 SER HBx 1.0 3.0 4.4 1254 915 A 68 ALA H A 61 SER HBy 1.0 3.9 5.3 1255 915 A 68 ALA H A 61 SER HBx 1.0 3.9 5.3 1256 916 A 61 SER H A 63 ASP H 1.0 3.9 5.4 1257 917 A 61 SER H A 67 LEU HBy 1.0 4.0 5.4 1258 918 A 61 SER H A 67 LEU HDx% 1.0 3.1 4.5 1259 918 A 61 SER H A 67 LEU HDy% 1.0 3.1 4.5 1260 919 A 62 PRO HA A 62 PRO HGx 1.0 2.8 4.2 1261 919 A 62 PRO HA A 62 PRO HGy 1.0 2.8 4.2 1262 920 A 62 PRO HA A 63 ASP H 1.0 3.3 4.7 1263 921 A 63 ASP H A 62 PRO HBx 1.0 2.8 4.3 1264 922 A 62 PRO HBy A 62 PRO HDx 1.0 2.3 4.4 1265 922 A 62 PRO HBx A 62 PRO HDx 1.0 2.3 4.4 1266 923 A 62 PRO HDy A 62 PRO HBx 1.0 2.8 4.4 1267 923 A 62 PRO HBy A 62 PRO HDy 1.0 2.8 4.4 1268 924 A 62 PRO HGy A 66 SER HBy 1.0 2.6 4.0 1269 924 A 62 PRO HGy A 66 SER HBx 1.0 2.6 4.0 1270 925 A 63 ASP H A 63 ASP HA 1.0 2.4 3.9 1271 926 A 63 ASP HA A 64 GLU H 1.0 2.4 4.0 1272 927 A 63 ASP HA A 65 ASP H 1.0 4.4 5.8 1273 928 A 63 ASP H A 63 ASP HBx 1.0 2.4 4.1 1274 928 A 63 ASP HBy A 63 ASP H 1.0 2.4 4.1 1275 929 A 64 GLU H A 63 ASP HBx 1.0 2.2 3.9 1276 929 A 63 ASP HBy A 64 GLU H 1.0 2.2 3.9 1277 930 A 65 ASP H A 63 ASP HBx 1.0 2.9 4.3 1278 930 A 63 ASP HBy A 65 ASP H 1.0 2.9 4.3 1279 931 A 66 SER H A 63 ASP HBx 1.0 3.1 4.5 1280 931 A 63 ASP HBy A 66 SER H 1.0 3.1 4.5 1281 932 A 63 ASP H A 61 SER HBy 1.0 1.8 6.0 1282 932 A 63 ASP H A 61 SER HBx 1.0 1.8 6.0 1283 933 A 63 ASP H A 62 PRO HGx 1.0 1.8 6.0 1284 934 A 62 PRO HGy A 63 ASP H 1.0 1.8 6.0 1285 935 A 63 ASP H A 64 GLU H 1.0 3.2 4.9 1286 936 A 63 ASP H A 65 ASP H 1.0 4.1 5.6 1287 937 A 63 ASP H A 66 SER HA 1.0 4.2 5.6 1288 938 A 63 ASP H A 66 SER HBx 1.0 1.8 6.0 1289 938 A 63 ASP H A 66 SER HBy 1.0 1.8 6.0 1290 939 A 63 ASP H A 66 SER H 1.0 3.2 4.8 1291 940 A 63 ASP H A 67 LEU HA 1.0 3.6 5.0 1292 941 A 63 ASP H A 67 LEU HBx 1.0 3.2 4.6 1293 942 A 67 LEU HBy A 63 ASP H 1.0 3.4 4.8 1294 943 A 63 ASP H A 67 LEU HDx% 1.0 3.5 4.9 1295 943 A 67 LEU HDy% A 63 ASP H 1.0 3.5 4.9 1296 944 A 67 LEU H A 63 ASP H 1.0 3.2 4.8 1297 945 A 64 GLU HA A 64 GLU HGy 1.0 1.9 3.8 1298 945 A 64 GLU HA A 64 GLU HGx 1.0 1.9 3.8 1299 946 A 64 GLU HA A 64 GLU HGy 1.0 2.2 3.9 1300 947 A 64 GLU HA A 64 GLU H 1.0 3.0 4.5 1301 948 A 64 GLU HA A 65 ASP H 1.0 3.3 5.2 1302 949 A 64 GLU HA A 66 SER HBx 1.0 3.4 4.8 1303 949 A 64 GLU HA A 66 SER HBy 1.0 3.4 4.8 1304 950 A 64 GLU HA A 66 SER H 1.0 3.3 5.5 1305 951 A 64 GLU HA A 67 LEU HA 1.0 3.5 4.9 1306 952 A 64 GLU HA A 67 LEU HBy 1.0 2.6 4.4 1307 953 A 67 LEU HG A 64 GLU HA 1.0 2.4 3.9 1308 954 A 64 GLU HA A 67 LEU H 1.0 2.6 4.3 1309 955 A 64 GLU HA A 68 ALA HB% 1.0 3.8 5.2 1310 956 A 64 GLU HA A 68 ALA H 1.0 2.8 4.3 1311 957 A 64 GLU H A 64 GLU HBy 1.0 2.5 4.4 1312 958 A 65 ASP H A 64 GLU HBy 1.0 2.8 4.7 1313 959 A 64 GLU H A 64 GLU HGy 1.0 2.6 4.3 1314 960 A 64 GLU H A 64 GLU HGy 1.0 2.2 4.4 1315 960 A 64 GLU HGx A 64 GLU H 1.0 2.2 4.4 1316 961 A 65 ASP H A 64 GLU HGy 1.0 2.6 5.0 1317 961 A 64 GLU HGx A 65 ASP H 1.0 2.6 5.0 1318 962 A 64 GLU HGx A 67 LEU HBy 1.0 3.2 4.6 1319 962 A 67 LEU HBy A 64 GLU HGy 1.0 3.2 4.6 1320 963 A 67 LEU HG A 64 GLU HGy 1.0 2.8 4.2 1321 963 A 67 LEU HG A 64 GLU HGx 1.0 2.8 4.2 1322 964 A 64 GLU H A 64 GLU HBx 1.0 1.8 6.0 1323 965 A 64 GLU HGx A 64 GLU H 1.0 1.8 6.0 1324 966 A 64 GLU H A 65 ASP HBy 1.0 1.8 6.0 1325 967 A 64 GLU H A 65 ASP HBx 1.0 1.8 6.0 1326 968 A 64 GLU H A 65 ASP H 1.0 2.9 4.6 1327 969 A 66 SER H A 64 GLU H 1.0 3.9 5.3 1328 970 A 65 ASP H A 65 ASP HA 1.0 2.2 3.9 1329 971 A 66 SER H A 65 ASP HA 1.0 2.8 4.4 1330 972 A 67 LEU H A 65 ASP HA 1.0 3.9 5.3 1331 973 A 68 ALA HB% A 65 ASP HA 1.0 2.4 3.8 1332 974 A 68 ALA H A 65 ASP HA 1.0 2.6 4.2 1333 975 A 67 LEU H A 65 ASP HBy 1.0 3.3 4.7 1334 976 A 69 HIS H A 65 ASP HBy 1.0 1.8 6.0 1335 977 A 68 ALA HB% A 65 ASP HBx 1.0 3.1 5.0 1336 977 A 68 ALA HB% A 65 ASP HBy 1.0 3.1 5.0 1337 978 A 65 ASP H A 65 ASP HBy 1.0 1.8 6.0 1338 979 A 65 ASP H A 65 ASP HBx 1.0 1.8 6.0 1339 980 A 66 SER H A 65 ASP H 1.0 2.6 4.0 1340 981 A 67 LEU H A 65 ASP H 1.0 3.5 5.0 1341 982 A 68 ALA H A 65 ASP H 1.0 3.5 5.2 1342 983 A 66 SER H A 66 SER HA 1.0 2.7 4.3 1343 984 A 67 LEU H A 66 SER HA 1.0 2.7 4.8 1344 985 A 66 SER HA A 68 ALA HB% 1.0 3.7 5.4 1345 986 A 66 SER HA A 69 HIS HBx 1.0 2.3 3.8 1346 986 A 66 SER HA A 69 HIS HBy 1.0 2.3 3.8 1347 987 A 66 SER HA A 70 MET H 1.0 3.4 4.8 1348 988 A 66 SER H A 66 SER HBx 1.0 2.3 3.8 1349 988 A 66 SER H A 66 SER HBy 1.0 2.3 3.8 1350 989 A 66 SER H A 65 ASP HBy 1.0 1.8 6.0 1351 990 A 66 SER H A 65 ASP HBx 1.0 1.8 6.0 1352 991 A 67 LEU H A 66 SER H 1.0 2.8 4.2 1353 992 A 68 ALA H A 66 SER H 1.0 3.2 4.8 1354 993 A 66 SER H A 69 HIS H 1.0 4.4 5.8 1355 994 A 67 LEU HA A 67 LEU HDx% 1.0 1.9 3.6 1356 994 A 67 LEU HDy% A 67 LEU HA 1.0 1.9 3.6 1357 995 A 67 LEU H A 67 LEU HA 1.0 2.5 4.1 1358 996 A 68 ALA H A 67 LEU HA 1.0 2.8 4.4 1359 997 A 67 LEU HA A 69 HIS H 1.0 3.4 4.8 1360 998 A 67 LEU HA A 70 MET H 1.0 3.3 4.7 1361 999 A 71 GLN H A 67 LEU HA 1.0 3.9 5.3 1362 1000 A 67 LEU H A 67 LEU HBx 1.0 2.5 4.4 1363 1001 A 68 ALA H A 67 LEU HBx 1.0 2.2 4.3 1364 1002 A 69 HIS H A 67 LEU HBx 1.0 3.2 4.6 1365 1003 A 67 LEU H A 67 LEU HBy 1.0 1.8 6.0 1366 1004 A 68 ALA H A 67 LEU HBy 1.0 2.2 4.9 1367 1005 A 67 LEU H A 67 LEU HDx% 1.0 2.8 4.2 1368 1005 A 67 LEU HDy% A 67 LEU H 1.0 2.8 4.2 1369 1006 A 69 HIS H A 67 LEU HDx% 1.0 2.6 4.8 1370 1006 A 67 LEU HDy% A 69 HIS H 1.0 2.6 4.8 1371 1007 A 70 MET H A 67 LEU HDx% 1.0 3.0 4.4 1372 1007 A 67 LEU HDy% A 70 MET H 1.0 3.0 4.4 1373 1008 A 71 GLN H A 67 LEU HDx% 1.0 3.1 4.5 1374 1008 A 67 LEU HDy% A 71 GLN H 1.0 3.1 4.5 1375 1009 A 67 LEU HG A 71 GLN H 1.0 1.8 6.0 1376 1010 A 67 LEU HG A 94 ALA HB% 1.0 2.5 3.9 1377 1011 A 67 LEU H A 68 ALA H 1.0 2.7 4.1 1378 1012 A 69 HIS H A 68 ALA HA 1.0 2.7 4.2 1379 1013 A 71 GLN HA A 68 ALA HA 1.0 3.6 5.2 1380 1014 A 68 ALA HA A 71 GLN HBy 1.0 2.6 4.0 1381 1015 A 71 GLN H A 68 ALA HA 1.0 2.8 4.4 1382 1016 A 68 ALA HA A 72 ASN H 1.0 3.3 4.8 1383 1017 A 94 ALA HB% A 68 ALA HA 1.0 3.8 5.2 1384 1018 A 68 ALA H A 68 ALA HB% 1.0 2.1 3.6 1385 1019 A 68 ALA HB% A 69 HIS HBx 1.0 2.8 4.3 1386 1019 A 68 ALA HB% A 69 HIS HBy 1.0 2.8 4.3 1387 1020 A 68 ALA HB% A 69 HIS H 1.0 2.4 4.0 1388 1021 A 68 ALA HB% A 70 MET H 1.0 3.8 5.2 1389 1022 A 68 ALA HB% A 71 GLN HGy 1.0 4.0 5.4 1390 1023 A 71 GLN H A 68 ALA HB% 1.0 3.4 4.8 1391 1024 A 68 ALA HB% A 72 ASN H 1.0 3.6 5.1 1392 1025 A 68 ALA H A 65 ASP HBy 1.0 1.8 6.0 1393 1026 A 68 ALA H A 65 ASP HBx 1.0 1.8 6.0 1394 1027 A 68 ALA H A 66 SER HBx 1.0 1.8 6.0 1395 1027 A 68 ALA H A 66 SER HBy 1.0 1.8 6.0 1396 1028 A 67 LEU HG A 68 ALA H 1.0 1.8 6.0 1397 1029 A 68 ALA H A 68 ALA HA 1.0 1.8 6.0 1398 1030 A 68 ALA H A 69 HIS H 1.0 2.6 4.0 1399 1031 A 68 ALA H A 70 MET H 1.0 3.6 5.0 1400 1032 A 68 ALA H A 72 ASN H 1.0 1.8 6.0 1401 1033 A 69 HIS H A 69 HIS HA 1.0 2.2 3.7 1402 1034 A 70 MET H A 69 HIS HA 1.0 2.8 4.2 1403 1035 A 69 HIS HA A 72 ASN HBy 1.0 3.3 4.7 1404 1035 A 69 HIS HA A 72 ASN HBx 1.0 3.3 4.7 1405 1036 A 72 ASN H A 69 HIS HA 1.0 2.5 4.6 1406 1037 A 69 HIS HD1 A 69 HIS HBx 1.0 2.4 3.8 1407 1037 A 69 HIS HD2 A 69 HIS HBx 1.0 2.4 3.8 1408 1037 A 69 HIS HBy A 69 HIS HD2 1.0 2.4 3.8 1409 1037 A 69 HIS HBy A 69 HIS HD1 1.0 2.4 3.8 1410 1038 A 69 HIS H A 69 HIS HBx 1.0 1.9 3.5 1411 1038 A 69 HIS H A 69 HIS HBy 1.0 1.9 3.5 1412 1039 A 70 MET H A 69 HIS HBx 1.0 2.2 4.2 1413 1039 A 69 HIS HBy A 70 MET H 1.0 2.2 4.2 1414 1040 A 73 VAL HA A 69 HIS HD2 1.0 3.3 4.7 1415 1040 A 69 HIS HD1 A 73 VAL HA 1.0 3.3 4.7 1416 1041 A 73 VAL HB A 69 HIS HD2 1.0 3.8 5.2 1417 1041 A 69 HIS HD1 A 73 VAL HB 1.0 3.8 5.2 1418 1042 A 69 HIS H A 70 MET H 1.0 2.5 4.0 1419 1043 A 71 GLN H A 69 HIS H 1.0 3.4 5.0 1420 1044 A 69 HIS H A 72 ASN H 1.0 3.3 4.9 1421 1045 A 6 SER H A 6 SER HA 1.0 1.8 6.0 1422 1046 A 6 SER HA A 7 HIS H 1.0 2.1 3.6 1423 1047 A 92 GLN H A 6 SER HA 1.0 3.2 4.6 1424 1048 A 6 SER H A 6 SER HBy 1.0 2.9 4.8 1425 1049 A 7 HIS H A 6 SER HBy 1.0 3.0 4.7 1426 1050 A 6 SER HBx A 71 GLN HBy 1.0 3.4 4.8 1427 1050 A 6 SER HBy A 71 GLN HBy 1.0 3.4 4.8 1428 1050 A 71 GLN HBx A 6 SER HBy 1.0 3.4 4.8 1429 1050 A 6 SER HBx A 71 GLN HBx 1.0 3.4 4.8 1430 1051 A 74 VAL HGx% A 6 SER HBy 1.0 4.1 5.5 1431 1051 A 74 VAL HGx% A 6 SER HBx 1.0 4.1 5.5 1432 1052 A 7 HIS H A 6 SER HBy 1.0 3.1 5.0 1433 1052 A 7 HIS H A 6 SER HBx 1.0 3.1 5.0 1434 1053 A 89 ILE HG2% A 6 SER HBy 1.0 4.0 5.4 1435 1053 A 6 SER HBx A 89 ILE HG2% 1.0 4.0 5.4 1436 1054 A 91 TRP HA A 6 SER HBy 1.0 2.8 5.2 1437 1054 A 6 SER HBx A 91 TRP HA 1.0 2.8 5.2 1438 1055 A 56 LEU HA A 6 SER H 1.0 3.7 5.1 1439 1056 A 6 SER H A 56 LEU HDx% 1.0 2.9 4.3 1440 1056 A 56 LEU HDy% A 6 SER H 1.0 2.9 4.3 1441 1057 A 57 MET H A 6 SER H 1.0 2.8 4.4 1442 1058 A 58 ILE HA A 6 SER H 1.0 3.2 4.6 1443 1059 A 58 ILE HD1% A 6 SER H 1.0 3.5 4.9 1444 1060 A 58 ILE HG12 A 6 SER H 1.0 3.3 4.7 1445 1061 A 58 ILE HG2% A 6 SER H 1.0 3.9 5.3 1446 1062 A 6 SER H A 58 ILE HG13 1.0 2.6 4.2 1447 1062 A 58 ILE HG12 A 6 SER H 1.0 2.6 4.2 1448 1063 A 59 LEU H A 6 SER H 1.0 1.8 6.0 1449 1064 A 71 GLN HA A 6 SER H 1.0 1.8 6.0 1450 1065 A 6 SER H A 71 GLN HBy 1.0 3.0 4.7 1451 1065 A 6 SER H A 71 GLN HBx 1.0 3.0 4.7 1452 1066 A 6 SER H A 7 HIS H 1.0 3.5 5.0 1453 1067 A 70 MET HA A 70 MET HGx 1.0 2.8 4.6 1454 1068 A 70 MET HA A 70 MET HGy 1.0 3.0 4.5 1455 1069 A 70 MET H A 70 MET HA 1.0 2.4 4.0 1456 1070 A 72 ASN H A 70 MET HA 1.0 3.2 4.6 1457 1071 A 73 VAL HB A 70 MET HA 1.0 1.9 3.3 1458 1072 A 70 MET HA A 73 VAL HGx% 1.0 2.5 3.9 1459 1073 A 70 MET HA A 73 VAL HGy% 1.0 2.3 3.7 1460 1074 A 70 MET HA A 73 VAL H 1.0 2.6 4.0 1461 1075 A 70 MET HA A 74 VAL H 1.0 3.1 4.5 1462 1076 A 70 MET H A 70 MET HBx 1.0 1.8 6.0 1463 1076 A 70 MET HBy A 70 MET H 1.0 1.8 6.0 1464 1077 A 70 MET H A 70 MET HGx 1.0 2.6 4.0 1465 1078 A 71 GLN H A 70 MET HGx 1.0 3.6 5.2 1466 1079 A 70 MET H A 70 MET HGy 1.0 1.8 6.0 1467 1080 A 70 MET HGy A 59 LEU HBx 1.0 1.8 6.0 1468 1080 A 59 LEU HBx A 70 MET HGx 1.0 1.8 6.0 1469 1081 A 59 LEU HBy A 70 MET HGy 1.0 1.8 6.0 1470 1081 A 59 LEU HBy A 70 MET HGx 1.0 1.8 6.0 1471 1082 A 71 GLN H A 70 MET H 1.0 2.8 4.2 1472 1083 A 70 MET H A 72 ASN H 1.0 3.3 5.0 1473 1084 A 71 GLN HA A 71 GLN HGy 1.0 2.5 4.4 1474 1085 A 71 GLN HA A 71 GLN HGx 1.0 2.5 4.1 1475 1085 A 71 GLN HA A 71 GLN HGy 1.0 2.5 4.1 1476 1086 A 71 GLN HA A 71 GLN H 1.0 2.4 4.0 1477 1087 A 71 GLN HA A 74 VAL HB 1.0 3.3 4.7 1478 1088 A 74 VAL HGx% A 71 GLN HA 1.0 3.3 5.3 1479 1089 A 74 VAL HGy% A 71 GLN HA 1.0 3.4 4.8 1480 1090 A 71 GLN HA A 74 VAL H 1.0 3.2 5.0 1481 1091 A 72 ASN H A 71 GLN HBx 1.0 2.5 4.4 1482 1092 A 71 GLN H A 71 GLN HBy 1.0 2.5 3.9 1483 1092 A 71 GLN H A 71 GLN HBx 1.0 2.5 3.9 1484 1093 A 71 GLN H A 71 GLN HGx 1.0 2.1 4.5 1485 1094 A 72 ASN H A 71 GLN HGx 1.0 2.6 4.0 1486 1095 A 71 GLN H A 71 GLN HGy 1.0 2.7 4.9 1487 1096 A 72 ASN H A 71 GLN HGy 1.0 3.3 4.7 1488 1097 A 71 GLN H A 67 LEU HDx% 1.0 1.8 6.0 1489 1097 A 67 LEU HDy% A 71 GLN H 1.0 1.8 6.0 1490 1098 A 67 LEU HG A 71 GLN H 1.0 1.8 6.0 1491 1099 A 71 GLN H A 71 GLN HBy 1.0 1.8 6.0 1492 1100 A 71 GLN H A 72 ASN H 1.0 2.7 4.1 1493 1101 A 71 GLN H A 73 VAL H 1.0 3.3 4.7 1494 1102 A 72 ASN H A 72 ASN HA 1.0 2.0 3.9 1495 1103 A 72 ASN HA A 75 ALA HB% 1.0 2.3 4.1 1496 1104 A 72 ASN HA A 75 ALA H 1.0 3.0 4.4 1497 1105 A 72 ASN HA A 76 ASP H 1.0 3.5 4.9 1498 1106 A 72 ASN H A 72 ASN HBx 1.0 2.3 3.7 1499 1107 A 72 ASN HBx A 73 VAL H 1.0 2.5 4.2 1500 1108 A 73 VAL H A 72 ASN HBy 1.0 2.5 4.0 1501 1109 A 75 ALA HB% A 72 ASN HBy 1.0 3.3 5.0 1502 1110 A 75 ALA HB% A 72 ASN HBy 1.0 3.7 5.1 1503 1110 A 72 ASN HBx A 75 ALA HB% 1.0 3.7 5.1 1504 1111 A 71 GLN HA A 72 ASN H 1.0 1.8 6.0 1505 1112 A 72 ASN H A 72 ASN HBy 1.0 1.8 6.0 1506 1113 A 72 ASN H A 73 VAL HGy% 1.0 1.8 6.0 1507 1114 A 72 ASN H A 73 VAL H 1.0 2.5 3.9 1508 1115 A 72 ASN H A 74 VAL H 1.0 3.2 5.0 1509 1116 A 73 VAL HA A 73 VAL HGx% 1.0 2.1 3.8 1510 1117 A 73 VAL HA A 73 VAL HGy% 1.0 2.1 3.5 1511 1118 A 73 VAL HA A 73 VAL H 1.0 2.3 3.9 1512 1119 A 73 VAL HA A 76 ASP HBx 1.0 2.4 4.0 1513 1120 A 73 VAL HA A 76 ASP HBy 1.0 2.5 3.9 1514 1121 A 73 VAL HA A 76 ASP H 1.0 2.7 4.3 1515 1122 A 73 VAL HB A 73 VAL H 1.0 2.3 3.8 1516 1123 A 73 VAL HB A 74 VAL H 1.0 2.6 4.4 1517 1124 A 73 VAL HGx% A 73 VAL H 1.0 2.6 4.4 1518 1125 A 73 VAL HGx% A 77 HIS HD2 1.0 2.5 3.9 1519 1125 A 73 VAL HGx% A 77 HIS HD1 1.0 2.5 3.9 1520 1126 A 73 VAL HGy% A 73 VAL H 1.0 2.4 3.8 1521 1127 A 73 VAL HGy% A 74 VAL H 1.0 2.7 4.1 1522 1128 A 74 VAL HGy% A 73 VAL H 1.0 3.5 5.3 1523 1129 A 73 VAL H A 74 VAL H 1.0 2.9 4.3 1524 1130 A 73 VAL H A 75 ALA H 1.0 3.3 4.7 1525 1131 A 73 VAL H A 76 ASP H 1.0 3.9 5.3 1526 1132 A 74 VAL HA A 74 VAL HGx% 1.0 2.5 3.9 1527 1133 A 74 VAL HA A 74 VAL HGy% 1.0 2.3 3.8 1528 1134 A 74 VAL HA A 74 VAL H 1.0 2.4 4.6 1529 1135 A 74 VAL HA A 75 ALA H 1.0 2.6 4.6 1530 1136 A 74 VAL HA A 77 HIS HBx 1.0 2.9 4.3 1531 1137 A 74 VAL HA A 77 HIS HBy 1.0 3.0 5.3 1532 1138 A 74 VAL HA A 77 HIS HD2 1.0 2.9 4.3 1533 1138 A 74 VAL HA A 77 HIS HD1 1.0 2.9 4.3 1534 1139 A 74 VAL HA A 77 HIS H 1.0 2.9 4.6 1535 1140 A 74 VAL HA A 78 LEU H 1.0 2.9 4.3 1536 1141 A 74 VAL H A 74 VAL HB 1.0 2.5 3.9 1537 1142 A 74 VAL HB A 75 ALA H 1.0 2.6 4.1 1538 1143 A 74 VAL HB A 76 ASP H 1.0 3.2 4.6 1539 1144 A 74 VAL HGx% A 74 VAL H 1.0 2.7 4.4 1540 1145 A 74 VAL HGx% A 75 ALA H 1.0 2.7 4.5 1541 1146 A 74 VAL HGx% A 76 ASP H 1.0 3.2 5.4 1542 1147 A 77 HIS HBx A 74 VAL HGx% 1.0 4.1 5.5 1543 1148 A 74 VAL HGx% A 77 HIS HD2 1.0 3.6 5.0 1544 1148 A 74 VAL HGx% A 77 HIS HD1 1.0 3.6 5.0 1545 1149 A 74 VAL HGx% A 77 HIS H 1.0 3.6 5.0 1546 1150 A 74 VAL HGx% A 78 LEU HDx% 1.0 2.9 4.3 1547 1150 A 78 LEU HDy% A 74 VAL HGx% 1.0 2.9 4.3 1548 1151 A 74 VAL HGy% A 74 VAL H 1.0 2.5 4.0 1549 1152 A 74 VAL HGy% A 75 ALA H 1.0 3.0 4.5 1550 1153 A 74 VAL HGy% A 76 ASP H 1.0 3.7 5.1 1551 1154 A 74 VAL HGy% A 77 HIS HD2 1.0 3.4 4.8 1552 1154 A 74 VAL HGy% A 77 HIS HD1 1.0 3.4 4.8 1553 1155 A 74 VAL HGy% A 77 HIS H 1.0 4.3 5.7 1554 1156 A 74 VAL HGy% A 78 LEU H 1.0 4.4 5.8 1555 1157 A 74 VAL H A 75 ALA H 1.0 2.7 4.1 1556 1158 A 74 VAL H A 76 ASP H 1.0 3.8 5.2 1557 1159 A 75 ALA H A 75 ALA HA 1.0 2.4 4.0 1558 1160 A 76 ASP H A 75 ALA HA 1.0 2.8 4.4 1559 1161 A 78 LEU HG A 75 ALA HA 1.0 1.8 6.0 1560 1162 A 78 LEU HG A 75 ALA HA 1.0 3.6 5.0 1561 1163 A 78 LEU H A 75 ALA HA 1.0 3.1 4.7 1562 1164 A 75 ALA HA A 79 GLN H 1.0 3.7 5.1 1563 1165 A 75 ALA HA A 89 ILE HD1% 1.0 1.8 6.0 1564 1166 A 75 ALA HA A 89 ILE HD1% 1.0 2.7 4.1 1565 1167 A 89 ILE HG2% A 75 ALA HA 1.0 2.7 4.5 1566 1168 A 75 ALA HB% A 75 ALA H 1.0 2.3 3.8 1567 1169 A 75 ALA HB% A 76 ASP H 1.0 2.6 4.1 1568 1170 A 75 ALA HB% A 77 HIS H 1.0 3.3 4.7 1569 1171 A 75 ALA HB% A 78 LEU H 1.0 3.7 5.1 1570 1172 A 75 ALA HB% A 89 ILE HD1% 1.0 2.2 3.7 1571 1173 A 75 ALA HB% A 89 ILE HG12 1.0 2.6 4.0 1572 1174 A 89 ILE HG2% A 75 ALA HB% 1.0 2.3 3.7 1573 1175 A 75 ALA H A 76 ASP H 1.0 2.5 4.0 1574 1176 A 75 ALA H A 89 ILE HD1% 1.0 3.1 5.2 1575 1177 A 89 ILE HG2% A 75 ALA H 1.0 3.2 5.2 1576 1178 A 76 ASP H A 76 ASP HA 1.0 2.1 3.7 1577 1179 A 77 HIS H A 76 ASP HA 1.0 3.2 4.6 1578 1180 A 79 GLN H A 76 ASP HA 1.0 3.1 4.5 1579 1181 A 76 ASP H A 76 ASP HBx 1.0 2.1 3.5 1580 1182 A 76 ASP HBx A 77 HIS H 1.0 2.5 3.9 1581 1183 A 76 ASP H A 76 ASP HBy 1.0 2.1 3.6 1582 1184 A 76 ASP HBy A 77 HIS H 1.0 2.6 4.0 1583 1185 A 76 ASP H A 77 HIS H 1.0 2.4 4.0 1584 1186 A 76 ASP H A 78 LEU H 1.0 4.2 5.6 1585 1187 A 76 ASP H A 87 LEU HG 1.0 1.8 6.0 1586 1188 A 76 ASP H A 89 ILE HD1% 1.0 1.8 6.0 1587 1189 A 77 HIS H A 77 HIS HA 1.0 2.6 4.0 1588 1190 A 77 HIS HA A 80 ARG HBx 1.0 1.8 6.0 1589 1190 A 77 HIS HA A 80 ARG HBy 1.0 1.8 6.0 1590 1191 A 77 HIS HA A 80 ARG HDx 1.0 2.9 4.8 1591 1191 A 77 HIS HA A 80 ARG HDy 1.0 2.9 4.8 1592 1192 A 77 HIS HA A 80 ARG HGx 1.0 1.8 6.0 1593 1193 A 77 HIS HA A 80 ARG HGy 1.0 3.0 4.6 1594 1194 A 77 HIS HA A 80 ARG H 1.0 2.7 4.1 1595 1195 A 77 HIS HA A 81 MET HGx 1.0 2.8 4.7 1596 1195 A 77 HIS HA A 81 MET HGy 1.0 2.8 4.7 1597 1196 A 77 HIS HBx A 77 HIS H 1.0 2.6 4.2 1598 1197 A 77 HIS HBx A 78 LEU H 1.0 2.8 5.2 1599 1198 A 77 HIS HBy A 77 HIS H 1.0 2.5 4.4 1600 1199 A 77 HIS HBy A 78 LEU H 1.0 2.7 5.0 1601 1200 A 77 HIS H A 77 HIS HD2 1.0 3.5 4.9 1602 1201 A 77 HIS H A 78 LEU H 1.0 2.8 4.2 1603 1202 A 77 HIS H A 80 ARG H 1.0 4.3 5.7 1604 1203 A 78 LEU HA A 78 LEU HDx% 1.0 2.0 3.7 1605 1203 A 78 LEU HDy% A 78 LEU HA 1.0 2.0 3.7 1606 1204 A 78 LEU HG A 78 LEU HA 1.0 2.2 4.2 1607 1205 A 78 LEU H A 78 LEU HA 1.0 2.4 3.8 1608 1206 A 79 GLN H A 78 LEU HA 1.0 2.9 4.4 1609 1207 A 78 LEU HA A 81 MET HBx 1.0 3.4 4.8 1610 1207 A 78 LEU HA A 81 MET HBy 1.0 3.4 4.8 1611 1208 A 78 LEU HA A 81 MET H 1.0 2.7 4.8 1612 1209 A 78 LEU HA A 82 ALA H 1.0 3.2 4.6 1613 1210 A 78 LEU H A 78 LEU HBx 1.0 2.1 4.3 1614 1211 A 79 GLN H A 78 LEU HBx 1.0 2.6 4.9 1615 1212 A 78 LEU H A 78 LEU HBy 1.0 2.3 4.5 1616 1213 A 79 GLN H A 78 LEU HBy 1.0 2.9 5.0 1617 1214 A 78 LEU H A 78 LEU HDx% 1.0 3.0 4.4 1618 1214 A 78 LEU HDy% A 78 LEU H 1.0 3.0 4.4 1619 1215 A 79 GLN H A 78 LEU HDx% 1.0 3.5 4.9 1620 1215 A 78 LEU HDy% A 79 GLN H 1.0 3.5 4.9 1621 1216 A 82 ALA HB% A 78 LEU HDx% 1.0 3.4 4.8 1622 1216 A 82 ALA HB% A 78 LEU HDy% 1.0 3.4 4.8 1623 1217 A 78 LEU HG A 87 LEU HG 1.0 1.8 6.0 1624 1218 A 78 LEU HG A 89 ILE HD1% 1.0 1.8 6.0 1625 1219 A 78 LEU HG A 89 ILE HG2% 1.0 1.8 6.0 1626 1220 A 77 HIS H A 78 LEU H 1.0 1.8 6.0 1627 1221 A 78 LEU H A 79 GLN H 1.0 1.8 6.0 1628 1222 A 78 LEU H A 79 GLN H 1.0 1.8 6.0 1629 1223 A 78 LEU H A 80 ARG H 1.0 3.7 5.1 1630 1224 A 78 LEU H A 81 MET H 1.0 4.2 5.6 1631 1225 A 78 LEU H A 87 LEU HG 1.0 2.4 3.8 1632 1226 A 89 ILE HG2% A 78 LEU H 1.0 4.0 5.4 1633 1227 A 79 GLN HA A 79 GLN HGy 1.0 1.8 6.0 1634 1228 A 79 GLN HA A 79 GLN HGx 1.0 2.4 3.8 1635 1228 A 79 GLN HA A 79 GLN HGy 1.0 2.4 3.8 1636 1229 A 79 GLN H A 79 GLN HA 1.0 2.6 4.0 1637 1230 A 81 MET H A 79 GLN HA 1.0 2.4 4.2 1638 1231 A 82 ALA HB% A 79 GLN HA 1.0 2.3 4.2 1639 1232 A 82 ALA H A 79 GLN HA 1.0 2.9 4.3 1640 1233 A 80 ARG H A 79 GLN HBx 1.0 2.7 4.6 1641 1234 A 82 ALA H A 79 GLN HBx 1.0 3.9 5.3 1642 1235 A 79 GLN H A 79 GLN HBy 1.0 2.5 4.2 1643 1236 A 79 GLN H A 79 GLN HGx 1.0 2.7 4.7 1644 1237 A 80 ARG H A 79 GLN HGx 1.0 3.0 4.4 1645 1238 A 78 LEU HG A 79 GLN H 1.0 1.8 6.0 1646 1239 A 79 GLN H A 79 GLN HBx 1.0 1.8 6.0 1647 1240 A 79 GLN H A 79 GLN HGy 1.0 1.8 6.0 1648 1241 A 79 GLN H A 80 ARG H 1.0 2.7 4.1 1649 1242 A 79 GLN H A 81 MET H 1.0 3.4 5.2 1650 1243 A 79 GLN H A 82 ALA H 1.0 4.0 5.4 1651 1244 A 79 GLN H A 87 LEU HBx 1.0 3.1 4.5 1652 1244 A 79 GLN H A 87 LEU HBy 1.0 3.1 4.5 1653 1245 A 79 GLN H A 87 LEU HG 1.0 2.9 4.3 1654 1246 A 79 GLN H A 89 ILE HD1% 1.0 1.8 6.0 1655 1247 A 55 VAL H A 7 HIS HA 1.0 3.5 4.9 1656 1248 A 56 LEU HA A 7 HIS HA 1.0 2.7 4.1 1657 1249 A 7 HIS HA A 56 LEU HBx 1.0 4.0 5.4 1658 1249 A 56 LEU HBy A 7 HIS HA 1.0 4.0 5.4 1659 1250 A 7 HIS HA A 56 LEU HDx% 1.0 2.5 4.1 1660 1250 A 56 LEU HDy% A 7 HIS HA 1.0 2.5 4.1 1661 1251 A 57 MET H A 7 HIS HA 1.0 3.1 4.5 1662 1252 A 7 HIS H A 7 HIS HA 1.0 2.8 4.2 1663 1253 A 7 HIS HA A 8 VAL H 1.0 2.2 3.7 1664 1254 A 56 LEU HG A 7 HIS HBx 1.0 4.0 5.4 1665 1255 A 7 HIS H A 7 HIS HBy 1.0 2.5 4.1 1666 1256 A 8 VAL H A 7 HIS HBy 1.0 3.2 4.6 1667 1257 A 7 HIS H A 7 HIS HBy 1.0 2.5 4.1 1668 1257 A 7 HIS H A 7 HIS HBx 1.0 2.5 4.1 1669 1258 A 8 VAL H A 7 HIS HBy 1.0 3.2 4.6 1670 1258 A 8 VAL H A 7 HIS HBx 1.0 3.2 4.6 1671 1259 A 7 HIS HD1 A 56 LEU HDx% 1.0 3.3 4.7 1672 1259 A 7 HIS HD2 A 56 LEU HDx% 1.0 3.3 4.7 1673 1259 A 56 LEU HDy% A 7 HIS HD2 1.0 3.3 4.7 1674 1259 A 56 LEU HDy% A 7 HIS HD1 1.0 3.3 4.7 1675 1260 A 7 HIS HD1 A 9 ARG HDx 1.0 2.5 3.9 1676 1260 A 7 HIS HD2 A 9 ARG HDx 1.0 2.5 3.9 1677 1260 A 9 ARG HDy A 7 HIS HD2 1.0 2.5 3.9 1678 1260 A 7 HIS HD1 A 9 ARG HDy 1.0 2.5 3.9 1679 1261 A 7 HIS HD2 A 9 ARG HGx 1.0 3.5 4.9 1680 1261 A 7 HIS HD1 A 9 ARG HGx 1.0 3.5 4.9 1681 1261 A 9 ARG HGy A 7 HIS HD2 1.0 3.5 4.9 1682 1261 A 7 HIS HD1 A 9 ARG HGy 1.0 3.5 4.9 1683 1262 A 7 HIS H A 89 ILE HG2% 1.0 4.5 5.9 1684 1263 A 7 HIS H A 8 VAL H 1.0 3.3 4.8 1685 1264 A 92 GLN H A 7 HIS H 1.0 4.4 5.8 1686 1265 A 80 ARG HA A 80 ARG HDx 1.0 3.3 4.7 1687 1265 A 80 ARG HDy A 80 ARG HA 1.0 3.3 4.7 1688 1266 A 80 ARG HA A 80 ARG HGx 1.0 1.8 3.8 1689 1267 A 80 ARG HA A 80 ARG HGy 1.0 1.9 3.9 1690 1268 A 80 ARG H A 80 ARG HA 1.0 2.2 3.7 1691 1269 A 80 ARG HBy A 80 ARG HDx 1.0 2.4 3.8 1692 1269 A 80 ARG HBx A 80 ARG HDx 1.0 2.4 3.8 1693 1270 A 80 ARG HDy A 80 ARG HBx 1.0 2.3 3.7 1694 1270 A 80 ARG HBy A 80 ARG HDy 1.0 2.3 3.7 1695 1271 A 81 MET H A 80 ARG HBx 1.0 2.3 3.7 1696 1271 A 80 ARG HBy A 81 MET H 1.0 2.3 3.7 1697 1272 A 80 ARG H A 80 ARG HDx 1.0 3.0 4.4 1698 1272 A 80 ARG HDy A 80 ARG H 1.0 3.0 4.4 1699 1273 A 80 ARG H A 80 ARG HGy 1.0 2.6 4.2 1700 1274 A 81 MET H A 80 ARG HGy 1.0 3.0 4.4 1701 1275 A 80 ARG H A 80 ARG HGx 1.0 1.9 4.0 1702 1275 A 80 ARG H A 80 ARG HGy 1.0 1.9 4.0 1703 1276 A 80 ARG H A 81 MET H 1.0 2.4 4.0 1704 1277 A 80 ARG H A 82 ALA H 1.0 3.4 4.9 1705 1278 A 81 MET HA A 81 MET HGx 1.0 3.1 4.5 1706 1278 A 81 MET HGy A 81 MET HA 1.0 3.1 4.5 1707 1279 A 81 MET H A 81 MET HA 1.0 2.4 3.9 1708 1280 A 82 ALA H A 81 MET HA 1.0 3.4 4.8 1709 1281 A 82 ALA H A 81 MET HBx 1.0 2.8 4.2 1710 1282 A 81 MET H A 81 MET HBx 1.0 2.5 4.2 1711 1282 A 81 MET HBy A 81 MET H 1.0 2.5 4.2 1712 1283 A 81 MET HGy A 81 MET H 1.0 2.7 4.2 1713 1284 A 81 MET HGy A 82 ALA H 1.0 3.4 4.8 1714 1285 A 81 MET H A 81 MET HGx 1.0 1.8 6.0 1715 1285 A 81 MET HGy A 81 MET H 1.0 1.8 6.0 1716 1286 A 82 ALA H A 81 MET HGx 1.0 3.1 5.7 1717 1286 A 81 MET HGy A 82 ALA H 1.0 3.1 5.7 1718 1287 A 81 MET H A 80 ARG HBx 1.0 1.8 6.0 1719 1287 A 80 ARG HBy A 81 MET H 1.0 1.8 6.0 1720 1288 A 81 MET H A 82 ALA H 1.0 2.5 3.9 1721 1289 A 82 ALA H A 82 ALA HA 1.0 3.0 4.4 1722 1290 A 82 ALA HB% A 82 ALA H 1.0 2.4 3.9 1723 1291 A 82 ALA H A 81 MET HA 1.0 1.8 6.0 1724 1292 A 82 ALA H A 82 ALA HA 1.0 1.8 6.0 1725 1293 A 82 ALA H A 87 LEU HDx% 1.0 3.7 5.1 1726 1293 A 82 ALA H A 87 LEU HDy% 1.0 3.7 5.1 1727 1294 A 87 LEU HG A 82 ALA H 1.0 1.8 6.0 1728 1295 A 84 SER HA A 85 GLU H 1.0 3.3 4.7 1729 1296 A 85 GLU HA A 85 GLU HGx 1.0 2.8 4.2 1730 1296 A 85 GLU HA A 85 GLU HGy 1.0 2.8 4.2 1731 1297 A 85 GLU HGy A 87 LEU HDx% 1.0 2.4 3.8 1732 1297 A 85 GLU HGx A 87 LEU HDx% 1.0 2.4 3.8 1733 1297 A 87 LEU HDy% A 85 GLU HGx 1.0 2.4 3.8 1734 1297 A 87 LEU HDy% A 85 GLU HGy 1.0 2.4 3.8 1735 1298 A 87 LEU HG A 85 GLU HGx 1.0 1.8 6.0 1736 1298 A 87 LEU HG A 85 GLU HGy 1.0 1.8 6.0 1737 1299 A 86 SER HA A 87 LEU H 1.0 2.0 3.5 1738 1300 A 87 LEU H A 86 SER HBx 1.0 3.1 4.6 1739 1301 A 87 LEU H A 86 SER HBy 1.0 2.9 4.6 1740 1302 A 87 LEU HG A 87 LEU HA 1.0 2.5 3.9 1741 1303 A 87 LEU HA A 88 GLU H 1.0 2.0 4.0 1742 1304 A 87 LEU H A 87 LEU HBx 1.0 2.4 4.6 1743 1305 A 88 GLU H A 87 LEU HBx 1.0 2.5 3.9 1744 1306 A 89 ILE HA A 87 LEU HBx 1.0 3.6 5.0 1745 1307 A 87 LEU HBy A 87 LEU H 1.0 2.9 5.3 1746 1308 A 87 LEU HBy A 88 GLU H 1.0 1.8 6.0 1747 1309 A 89 ILE HG13 A 87 LEU HBx 1.0 2.1 5.1 1748 1309 A 87 LEU HBy A 89 ILE HG13 1.0 2.1 5.1 1749 1310 A 87 LEU H A 87 LEU HDx% 1.0 2.7 4.1 1750 1310 A 87 LEU HDy% A 87 LEU H 1.0 2.7 4.1 1751 1311 A 87 LEU HDx% A 88 GLU HBx 1.0 2.5 3.9 1752 1311 A 87 LEU HDy% A 88 GLU HBx 1.0 2.5 3.9 1753 1311 A 88 GLU HBy A 87 LEU HDx% 1.0 2.5 3.9 1754 1311 A 87 LEU HDy% A 88 GLU HBy 1.0 2.5 3.9 1755 1312 A 88 GLU H A 87 LEU HDx% 1.0 2.6 4.2 1756 1312 A 87 LEU HDy% A 88 GLU H 1.0 2.6 4.2 1757 1313 A 87 LEU HG A 87 LEU H 1.0 2.6 4.2 1758 1314 A 88 GLU HA A 88 GLU HGy 1.0 2.2 3.7 1759 1315 A 88 GLU H A 88 GLU HBx 1.0 2.3 3.9 1760 1315 A 88 GLU H A 88 GLU HBy 1.0 2.3 3.9 1761 1316 A 88 GLU H A 88 GLU HGy 1.0 2.9 4.3 1762 1316 A 88 GLU H A 88 GLU HGx 1.0 2.9 4.3 1763 1317 A 88 GLU H A 88 GLU HGx 1.0 1.8 6.0 1764 1318 A 88 GLU H A 88 GLU HGy 1.0 1.8 6.0 1765 1319 A 89 ILE HD1% A 89 ILE HA 1.0 1.8 6.0 1766 1320 A 89 ILE HA A 89 ILE HG13 1.0 2.9 4.4 1767 1321 A 89 ILE HG2% A 89 ILE HA 1.0 2.6 4.1 1768 1322 A 89 ILE HA A 90 ALA H 1.0 2.3 3.7 1769 1323 A 89 ILE HD1% A 89 ILE HB 1.0 2.2 3.8 1770 1324 A 90 ALA H A 89 ILE HB 1.0 3.4 4.8 1771 1325 A 89 ILE HG2% A 90 ALA H 1.0 2.9 4.4 1772 1326 A 89 ILE HG2% A 91 TRP H 1.0 3.7 5.9 1773 1327 A 8 VAL HA A 8 VAL HGx% 1.0 2.2 3.6 1774 1327 A 8 VAL HA A 8 VAL HGy% 1.0 2.2 3.6 1775 1328 A 8 VAL H A 8 VAL HA 1.0 2.9 4.3 1776 1329 A 8 VAL HA A 9 ARG H 1.0 2.1 3.6 1777 1330 A 8 VAL H A 8 VAL HB 1.0 2.4 4.0 1778 1331 A 9 ARG H A 8 VAL HB 1.0 3.4 4.8 1779 1332 A 89 ILE HA A 8 VAL HGx% 1.0 2.3 3.9 1780 1332 A 89 ILE HA A 8 VAL HGy% 1.0 2.3 3.9 1781 1333 A 8 VAL H A 8 VAL HGx% 1.0 2.4 4.1 1782 1333 A 8 VAL H A 8 VAL HGy% 1.0 2.4 4.1 1783 1334 A 90 ALA H A 8 VAL HGx% 1.0 2.7 4.3 1784 1334 A 90 ALA H A 8 VAL HGy% 1.0 2.7 4.3 1785 1335 A 54 HIS HBx A 8 VAL H 1.0 1.8 6.0 1786 1336 A 8 VAL H A 54 HIS HBy 1.0 3.3 4.7 1787 1337 A 55 VAL HB A 8 VAL H 1.0 3.1 5.2 1788 1338 A 55 VAL H A 8 VAL H 1.0 2.9 4.5 1789 1339 A 56 LEU HA A 8 VAL H 1.0 3.0 4.4 1790 1340 A 90 ALA H A 90 ALA HB% 1.0 2.5 4.0 1791 1341 A 91 TRP H A 90 ALA HB% 1.0 2.4 4.0 1792 1342 A 92 GLN H A 90 ALA HB% 1.0 3.6 5.1 1793 1343 A 90 ALA H A 91 TRP H 1.0 3.3 5.1 1794 1344 A 91 TRP HA A 91 TRP H 1.0 2.7 4.4 1795 1345 A 92 GLN H A 91 TRP HA 1.0 2.1 3.6 1796 1346 A 91 TRP HBx A 91 TRP H 1.0 2.7 4.6 1797 1347 A 92 GLN H A 91 TRP HBx 1.0 2.9 4.8 1798 1348 A 91 TRP H A 91 TRP HBy 1.0 2.5 4.4 1799 1349 A 92 GLN H A 91 TRP HBy 1.0 3.0 4.7 1800 1350 A 91 TRP H A 91 TRP HE3 1.0 3.6 5.0 1801 1350 A 91 TRP H A 91 TRP HE1 1.0 3.6 5.0 1802 1351 A 92 GLN H A 91 TRP H 1.0 3.4 4.8 1803 1352 A 92 GLN HA A 93 PRO HDx 1.0 2.0 3.4 1804 1353 A 92 GLN HA A 93 PRO HDy 1.0 2.0 3.4 1805 1354 A 92 GLN HA A 93 PRO HGx 1.0 2.6 4.0 1806 1354 A 92 GLN HA A 93 PRO HGy 1.0 2.6 4.0 1807 1355 A 92 GLN H A 92 GLN HBx 1.0 2.7 4.3 1808 1356 A 92 GLN H A 92 GLN HBy 1.0 2.4 4.2 1809 1357 A 92 GLN H A 92 GLN HGx 1.0 2.4 4.0 1810 1357 A 92 GLN H A 92 GLN HGy 1.0 2.4 4.0 1811 1358 A 92 GLN HGx A 93 PRO HDx 1.0 2.3 3.7 1812 1358 A 92 GLN HGy A 93 PRO HDx 1.0 2.3 3.7 1813 1359 A 92 GLN HGy A 93 PRO HDy 1.0 2.2 3.6 1814 1359 A 93 PRO HDy A 92 GLN HGx 1.0 2.2 3.6 1815 1360 A 94 ALA H A 92 GLN HGx 1.0 4.0 5.4 1816 1360 A 94 ALA H A 92 GLN HGy 1.0 4.0 5.4 1817 1361 A 92 GLN H A 4 SER HBx 1.0 1.8 6.0 1818 1362 A 92 GLN H A 93 PRO HDx 1.0 1.8 6.0 1819 1363 A 92 GLN H A 93 PRO HDx 1.0 4.0 5.4 1820 1363 A 92 GLN H A 93 PRO HDy 1.0 4.0 5.4 1821 1364 A 94 ALA HB% A 92 GLN H 1.0 4.6 6.0 1822 1365 A 93 PRO HA A 93 PRO HGx 1.0 2.4 3.8 1823 1365 A 93 PRO HA A 93 PRO HGy 1.0 2.4 3.8 1824 1366 A 94 ALA H A 93 PRO HA 1.0 1.9 3.6 1825 1367 A 94 ALA HB% A 93 PRO HBx 1.0 3.9 5.3 1826 1368 A 94 ALA H A 93 PRO HBx 1.0 2.6 4.0 1827 1369 A 93 PRO HBy A 94 ALA H 1.0 2.6 4.0 1828 1370 A 93 PRO HBy A 93 PRO HDx 1.0 2.2 3.6 1829 1370 A 93 PRO HBx A 93 PRO HDx 1.0 2.2 3.6 1830 1371 A 93 PRO HBy A 93 PRO HDy 1.0 2.1 3.5 1831 1371 A 93 PRO HDy A 93 PRO HBx 1.0 2.1 3.5 1832 1372 A 94 ALA H A 93 PRO HGx 1.0 2.8 4.8 1833 1372 A 94 ALA H A 93 PRO HGy 1.0 2.8 4.8 1834 1373 A 94 ALA H A 94 ALA HA 1.0 1.8 6.0 1835 1374 A 94 ALA HA A 95 GLU H 1.0 2.6 5.4 1836 1375 A 94 ALA HB% A 3 ARG HDx 1.0 1.8 6.0 1837 1376 A 94 ALA HB% A 3 ARG HDy 1.0 1.8 6.0 1838 1377 A 94 ALA HB% A 94 ALA H 1.0 2.4 3.9 1839 1378 A 94 ALA H A 93 PRO HGx 1.0 1.8 6.0 1840 1379 A 94 ALA H A 93 PRO HGy 1.0 1.8 6.0 1841 1380 A 95 GLU HA A 95 GLU HGx 1.0 1.8 3.2 1842 1380 A 95 GLU HGy A 95 GLU HA 1.0 1.8 3.2 1843 1381 A 95 GLU H A 95 GLU HBy 1.0 2.6 4.0 1844 1381 A 95 GLU H A 95 GLU HBx 1.0 2.6 4.0 1845 1382 A 95 GLU H A 95 GLU HGx 1.0 3.2 5.5 1846 1382 A 95 GLU HGy A 95 GLU H 1.0 3.2 5.5 1847 1383 A 10 THR H A 9 ARG HA 1.0 2.2 3.7 1848 1384 A 54 HIS HA A 9 ARG HA 1.0 2.8 4.2 1849 1385 A 9 ARG HA A 54 HIS HBy 1.0 2.3 3.7 1850 1385 A 54 HIS HBx A 9 ARG HA 1.0 2.3 3.7 1851 1386 A 55 VAL H A 9 ARG HA 1.0 2.8 4.2 1852 1387 A 9 ARG HA A 9 ARG HDx 1.0 2.4 3.8 1853 1387 A 9 ARG HDy A 9 ARG HA 1.0 2.4 3.8 1854 1388 A 9 ARG HA A 9 ARG HGx 1.0 2.3 4.2 1855 1389 A 9 ARG HGy A 9 ARG HA 1.0 2.3 4.1 1856 1390 A 10 THR H A 9 ARG HBx 1.0 3.1 4.5 1857 1390 A 10 THR H A 9 ARG HBy 1.0 3.1 4.5 1858 1391 A 9 ARG HBy A 9 ARG HDx 1.0 1.8 3.8 1859 1391 A 9 ARG HDy A 9 ARG HBx 1.0 1.8 3.8 1860 1391 A 9 ARG HDy A 9 ARG HBy 1.0 1.8 3.8 1861 1391 A 9 ARG HBx A 9 ARG HDx 1.0 1.8 3.8 1862 1392 A 9 ARG H A 9 ARG HBx 1.0 2.4 3.8 1863 1392 A 9 ARG H A 9 ARG HBy 1.0 2.4 3.8 1864 1393 A 10 THR H A 9 ARG HDx 1.0 3.0 4.6 1865 1393 A 10 THR H A 9 ARG HDy 1.0 3.0 4.6 1866 1394 A 54 HIS HA A 9 ARG HDx 1.0 3.7 5.1 1867 1394 A 54 HIS HA A 9 ARG HDy 1.0 3.7 5.1 1868 1395 A 9 ARG HDx A 54 HIS HBy 1.0 2.8 4.2 1869 1395 A 9 ARG HDy A 54 HIS HBy 1.0 2.8 4.2 1870 1396 A 55 VAL H A 9 ARG HDx 1.0 3.4 4.8 1871 1396 A 55 VAL H A 9 ARG HDy 1.0 3.4 4.8 1872 1397 A 9 ARG H A 9 ARG HDx 1.0 2.8 4.6 1873 1397 A 9 ARG HDy A 9 ARG H 1.0 2.8 4.6 1874 1398 A 10 THR H A 9 ARG HGx 1.0 3.3 4.7 1875 1398 A 10 THR H A 9 ARG HGy 1.0 3.3 4.7 1876 1399 A 54 HIS HA A 9 ARG HGx 1.0 2.6 4.0 1877 1400 A 10 THR H A 9 ARG HGy 1.0 1.8 6.0 1878 1401 A 9 ARG H A 9 ARG HGx 1.0 2.7 4.1 1879 1401 A 9 ARG HGy A 9 ARG H 1.0 2.7 4.1 1880 1402 A 10 THR H A 9 ARG H 1.0 3.6 5.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 PHE N A 2 PHE CA A 2 PHE C 1.0 -128.0 -76.0 PHI 2 2 A 2 PHE C A 3 ARG N A 3 ARG CA A 3 ARG C 1.0 -168.0 -96.0 PHI 3 3 A 3 ARG C A 4 SER N A 4 SER CA A 4 SER C 1.0 -152.0 -100.0 PHI 4 4 A 4 SER C A 5 THR N A 5 THR CA A 5 THR C 1.0 -145.0 -105.0 PHI 5 5 A 5 THR C A 6 SER N A 6 SER CA A 6 SER C 1.0 -174.0 -78.0 PHI 6 6 A 6 SER C A 7 HIS N A 7 HIS CA A 7 HIS C 1.0 -142.0 -62.0 PHI 7 7 A 7 HIS C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -139.0 -75.0 PHI 8 8 A 8 VAL C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -134.0 -46.0 PHI 9 9 A 9 ARG C A 10 THR N A 10 THR CA A 10 THR C 1.0 -127.0 -51.0 PHI 10 10 A 12 SER C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -79.0 -39.0 PHI 11 11 A 13 ALA C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -82.0 -42.0 PHI 12 12 A 14 ALA C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -81.0 -41.0 PHI 13 13 A 15 ARG C A 16 TYR N A 16 TYR CA A 16 TYR C 1.0 -85.0 -45.0 PHI 14 14 A 16 TYR C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -84.0 -44.0 PHI 15 15 A 17 VAL C A 18 ASN N A 18 ASN CA A 18 ASN C 1.0 -81.0 -41.0 PHI 16 16 A 18 ASN C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -87.0 -47.0 PHI 17 17 A 19 ARG C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -84.0 -44.0 PHI 18 18 A 20 LEU C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -85.0 -45.0 PHI 19 19 A 21 CYS C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -84.0 -44.0 PHI 20 20 A 22 LYS C A 23 HIS N A 23 HIS CA A 23 HIS C 1.0 -84.0 -44.0 PHI 21 21 A 23 HIS C A 24 TRP N A 24 TRP CA A 24 TRP C 1.0 -107.0 -51.0 PHI 22 22 A 25 GLY C A 26 HIS N A 26 HIS CA A 26 HIS C 1.0 -127.0 -39.0 PHI 23 23 A 27 LYS C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -140.0 -64.0 PHI 24 24 A 28 PHE C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -137.0 -73.0 PHI 25 25 A 29 GLU C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -149.0 -105.0 PHI 26 26 A 30 VAL C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -169.0 -93.0 PHI 27 27 A 31 GLU C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -149.0 -85.0 PHI 28 28 A 32 LEU C A 33 THR N A 33 THR CA A 33 THR C 1.0 -159.0 -75.0 PHI 29 29 A 35 GLU C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -169.0 -77.0 PHI 30 30 A 36 ARG C A 37 GLY N A 37 GLY CA A 37 GLY C 1.0 -160.0 -96.0 PHI 31 31 A 37 GLY C A 38 PHE N A 38 PHE CA A 38 PHE C 1.0 -144.0 -100.0 PHI 32 32 A 38 PHE C A 39 ILE N A 39 ILE CA A 39 ILE C 1.0 -159.0 -87.0 PHI 33 33 A 39 ILE C A 40 ASP N A 40 ASP CA A 40 ASP C 1.0 -151.0 -47.0 PHI 34 34 A 44 SER C A 45 ASN N A 45 ASN CA A 45 ASN C 1.0 -167.0 -127.0 PHI 35 35 A 45 ASN C A 46 CYS N A 46 CYS CA A 46 CYS C 1.0 -170.0 -86.0 PHI 36 36 A 46 CYS C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -153.0 -77.0 PHI 37 37 A 47 GLU C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -144.0 -104.0 PHI 38 38 A 48 LEU C A 49 LEU N A 49 LEU CA A 49 LEU C 1.0 -152.0 -72.0 PHI 39 39 A 49 LEU C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -144.0 -64.0 PHI 40 40 A 54 HIS C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -154.0 -106.0 PHI 41 41 A 55 VAL C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -144.0 -92.0 PHI 42 42 A 56 LEU C A 57 MET N A 57 MET CA A 57 MET C 1.0 -149.0 -97.0 PHI 43 43 A 57 MET C A 58 ILE N A 58 ILE CA A 58 ILE C 1.0 -151.0 -95.0 PHI 44 44 A 58 ILE C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -151.0 -103.0 PHI 45 45 A 59 LEU C A 60 ASN N A 60 ASN CA A 60 ASN C 1.0 -151.0 -95.0 PHI 46 46 A 60 ASN C A 61 SER N A 61 SER CA A 61 SER C 1.0 -163.0 -111.0 PHI 47 47 A 62 PRO C A 63 ASP N A 63 ASP CA A 63 ASP C 1.0 -174.0 -62.0 PHI 48 48 A 63 ASP C A 64 GLU N A 64 GLU CA A 64 GLU C 1.0 -77.0 -37.0 PHI 49 49 A 64 GLU C A 65 ASP N A 65 ASP CA A 65 ASP C 1.0 -87.0 -47.0 PHI 50 50 A 65 ASP C A 66 SER N A 66 SER CA A 66 SER C 1.0 -89.0 -49.0 PHI 51 51 A 66 SER C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -81.0 -41.0 PHI 52 52 A 67 LEU C A 68 ALA N A 68 ALA CA A 68 ALA C 1.0 -84.0 -44.0 PHI 53 53 A 68 ALA C A 69 HIS N A 69 HIS CA A 69 HIS C 1.0 -86.0 -46.0 PHI 54 54 A 69 HIS C A 70 MET N A 70 MET CA A 70 MET C 1.0 -87.0 -47.0 PHI 55 55 A 70 MET C A 71 GLN N A 71 GLN CA A 71 GLN C 1.0 -85.0 -45.0 PHI 56 56 A 71 GLN C A 72 ASN N A 72 ASN CA A 72 ASN C 1.0 -82.0 -42.0 PHI 57 57 A 72 ASN C A 73 VAL N A 73 VAL CA A 73 VAL C 1.0 -84.0 -44.0 PHI 58 58 A 73 VAL C A 74 VAL N A 74 VAL CA A 74 VAL C 1.0 -83.0 -43.0 PHI 59 59 A 74 VAL C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -82.0 -42.0 PHI 60 60 A 75 ALA C A 76 ASP N A 76 ASP CA A 76 ASP C 1.0 -84.0 -44.0 PHI 61 61 A 76 ASP C A 77 HIS N A 77 HIS CA A 77 HIS C 1.0 -84.0 -44.0 PHI 62 62 A 77 HIS C A 78 LEU N A 78 LEU CA A 78 LEU C 1.0 -83.0 -43.0 PHI 63 63 A 78 LEU C A 79 GLN N A 79 GLN CA A 79 GLN C 1.0 -83.0 -43.0 PHI 64 64 A 79 GLN C A 80 ARG N A 80 ARG CA A 80 ARG C 1.0 -89.0 -49.0 PHI 65 65 A 80 ARG C A 81 MET N A 81 MET CA A 81 MET C 1.0 -107.0 -55.0 PHI 66 66 A 84 SER C A 85 GLU N A 85 GLU CA A 85 GLU C 1.0 -170.0 -58.0 PHI 67 67 A 85 GLU C A 86 SER N A 86 SER CA A 86 SER C 1.0 -142.0 -58.0 PHI 68 68 A 87 LEU C A 88 GLU N A 88 GLU CA A 88 GLU C 1.0 -123.0 -51.0 PHI 69 69 A 88 GLU C A 89 ILE N A 89 ILE CA A 89 ILE C 1.0 -164.0 -48.0 PHI 70 70 A 89 ILE C A 90 ALA N A 90 ALA CA A 90 ALA C 1.0 -124.0 -84.0 PHI 71 71 A 90 ALA C A 91 TRP N A 91 TRP CA A 91 TRP C 1.0 -130.0 -86.0 PHI 72 72 A 91 TRP C A 92 GLN N A 92 GLN CA A 92 GLN C 1.0 -154.0 -90.0 PHI 73 73 A 2 PHE N A 2 PHE CA A 2 PHE C A 3 ARG N 1.0 106.0 170.0 PSI 74 74 A 3 ARG N A 3 ARG CA A 3 ARG C A 4 SER N 1.0 118.0 178.0 PSI 75 75 A 4 SER N A 4 SER CA A 4 SER C A 5 THR N 1.0 108.0 180.0 PSI 76 76 A 5 THR N A 5 THR CA A 5 THR C A 6 SER N 1.0 119.0 167.0 PSI 77 77 A 6 SER N A 6 SER CA A 6 SER C A 7 HIS N 1.0 102.0 162.0 PSI 78 78 A 7 HIS N A 7 HIS CA A 7 HIS C A 8 VAL N 1.0 105.0 145.0 PSI 79 79 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 ARG N 1.0 105.0 153.0 PSI 80 80 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 THR N 1.0 109.0 149.0 PSI 81 81 A 10 THR N A 10 THR CA A 10 THR C A 11 GLU N 1.0 83.0 155.0 PSI 82 82 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 ALA N 1.0 -61.0 -21.0 PSI 83 83 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 ARG N 1.0 -63.0 -23.0 PSI 84 84 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 TYR N 1.0 -65.0 -25.0 PSI 85 85 A 16 TYR N A 16 TYR CA A 16 TYR C A 17 VAL N 1.0 -64.0 -24.0 PSI 86 86 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 ASN N 1.0 -66.0 -26.0 PSI 87 87 A 18 ASN N A 18 ASN CA A 18 ASN C A 19 ARG N 1.0 -62.0 -22.0 PSI 88 88 A 19 ARG N A 19 ARG CA A 19 ARG C A 20 LEU N 1.0 -59.0 -19.0 PSI 89 89 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 CYS N 1.0 -61.0 -21.0 PSI 90 90 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 LYS N 1.0 -61.0 -21.0 PSI 91 91 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 HIS N 1.0 -61.0 -21.0 PSI 92 92 A 23 HIS N A 23 HIS CA A 23 HIS C A 24 TRP N 1.0 -65.0 -21.0 PSI 93 93 A 24 TRP N A 24 TRP CA A 24 TRP C A 25 GLY N 1.0 -70.0 34.0 PSI 94 94 A 26 HIS N A 26 HIS CA A 26 HIS C A 27 LYS N 1.0 -50.0 -10.0 PSI 95 95 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 GLU N 1.0 119.0 171.0 PSI 96 96 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 VAL N 1.0 89.0 161.0 PSI 97 97 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 GLU N 1.0 112.0 176.0 PSI 98 98 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 LEU N 1.0 109.0 157.0 PSI 99 99 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 THR N 1.0 109.0 149.0 PSI 100 100 A 33 THR N A 33 THR CA A 33 THR C A 34 PRO N 1.0 97.0 169.0 PSI 101 101 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 GLY N 1.0 113.0 169.0 PSI 102 102 A 37 GLY N A 37 GLY CA A 37 GLY C A 38 PHE N 1.0 112.0 168.0 PSI 103 103 A 38 PHE N A 38 PHE CA A 38 PHE C A 39 ILE N 1.0 103.0 163.0 PSI 104 104 A 39 ILE N A 39 ILE CA A 39 ILE C A 40 ASP N 1.0 104.0 160.0 PSI 105 105 A 40 ASP N A 40 ASP CA A 40 ASP C A 41 PHE N 1.0 92.0 160.0 PSI 106 106 A 45 ASN N A 45 ASN CA A 45 ASN C A 46 CYS N 1.0 129.0 177.0 PSI 107 107 A 46 CYS N A 46 CYS CA A 46 CYS C A 47 GLU N 1.0 103.0 151.0 PSI 108 108 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 LEU N 1.0 106.0 154.0 PSI 109 109 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 LEU N 1.0 106.0 178.0 PSI 110 110 A 49 LEU N A 49 LEU CA A 49 LEU C A 50 ALA N 1.0 105.0 149.0 PSI 111 111 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 HIS N 1.0 79.0 147.0 PSI 112 112 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 LEU N 1.0 117.0 157.0 PSI 113 113 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 MET N 1.0 114.0 154.0 PSI 114 114 A 57 MET N A 57 MET CA A 57 MET C A 58 ILE N 1.0 115.0 155.0 PSI 115 115 A 58 ILE N A 58 ILE CA A 58 ILE C A 59 LEU N 1.0 102.0 142.0 PSI 116 116 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 ASN N 1.0 113.0 161.0 PSI 117 117 A 60 ASN N A 60 ASN CA A 60 ASN C A 61 SER N 1.0 104.0 172.0 PSI 118 118 A 61 SER N A 61 SER CA A 61 SER C A 62 PRO N 1.0 120.0 160.0 PSI 119 119 A 63 ASP N A 63 ASP CA A 63 ASP C A 64 GLU N 1.0 109.0 197.0 PSI 120 120 A 64 GLU N A 64 GLU CA A 64 GLU C A 65 ASP N 1.0 -59.0 -19.0 PSI 121 121 A 65 ASP N A 65 ASP CA A 65 ASP C A 66 SER N 1.0 -53.0 -13.0 PSI 122 122 A 66 SER N A 66 SER CA A 66 SER C A 67 LEU N 1.0 -60.0 -20.0 PSI 123 123 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 ALA N 1.0 -60.0 -20.0 PSI 124 124 A 68 ALA N A 68 ALA CA A 68 ALA C A 69 HIS N 1.0 -60.0 -20.0 PSI 125 125 A 69 HIS N A 69 HIS CA A 69 HIS C A 70 MET N 1.0 -62.0 -22.0 PSI 126 126 A 70 MET N A 70 MET CA A 70 MET C A 71 GLN N 1.0 -57.0 -17.0 PSI 127 127 A 71 GLN N A 71 GLN CA A 71 GLN C A 72 ASN N 1.0 -61.0 -21.0 PSI 128 128 A 72 ASN N A 72 ASN CA A 72 ASN C A 73 VAL N 1.0 -62.0 -22.0 PSI 129 129 A 73 VAL N A 73 VAL CA A 73 VAL C A 74 VAL N 1.0 -66.0 -26.0 PSI 130 130 A 74 VAL N A 74 VAL CA A 74 VAL C A 75 ALA N 1.0 -65.0 -25.0 PSI 131 131 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 ASP N 1.0 -58.0 -18.0 PSI 132 132 A 76 ASP N A 76 ASP CA A 76 ASP C A 77 HIS N 1.0 -62.0 -22.0 PSI 133 133 A 77 HIS N A 77 HIS CA A 77 HIS C A 78 LEU N 1.0 -66.0 -26.0 PSI 134 134 A 78 LEU N A 78 LEU CA A 78 LEU C A 79 GLN N 1.0 -60.0 -20.0 PSI 135 135 A 79 GLN N A 79 GLN CA A 79 GLN C A 80 ARG N 1.0 -61.0 -21.0 PSI 136 136 A 80 ARG N A 80 ARG CA A 80 ARG C A 81 MET N 1.0 -52.0 -8.0 PSI 137 137 A 81 MET N A 81 MET CA A 81 MET C A 82 ALA N 1.0 -57.0 19.0 PSI 138 138 A 85 GLU N A 85 GLU CA A 85 GLU C A 86 SER N 1.0 117.0 185.0 PSI 139 139 A 86 SER N A 86 SER CA A 86 SER C A 87 LEU N 1.0 72.0 180.0 PSI 140 140 A 88 GLU N A 88 GLU CA A 88 GLU C A 89 ILE N 1.0 100.0 152.0 PSI 141 141 A 89 ILE N A 89 ILE CA A 89 ILE C A 90 ALA N 1.0 110.0 150.0 PSI 142 142 A 90 ALA N A 90 ALA CA A 90 ALA C A 91 TRP N 1.0 113.0 153.0 PSI 143 143 A 91 TRP N A 91 TRP CA A 91 TRP C A 92 GLN N 1.0 112.0 152.0 PSI 144 144 A 92 GLN N A 92 GLN CA A 92 GLN C A 93 PRO N 1.0 101.0 177.0 PSI stop_ save_