data_nef_c17412_2l8j 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 -3 GLY start . false 2 A -2 SER middle . . 3 A -1 PRO middle . false 4 A 0 GLU middle . . 5 A 1 PHE middle . . 6 A 2 LYS middle . . 7 A 3 PHE middle . . 8 A 4 GLN middle . . 9 A 5 TYR middle . . 10 A 6 LYS middle . . 11 A 7 GLU middle . . 12 A 8 ASP middle . . 13 A 9 HIS middle . . 14 A 10 PRO middle . false 15 A 11 PHE middle . . 16 A 12 GLU middle . . 17 A 13 TYR middle . . 18 A 14 ARG middle . . 19 A 15 LYS middle . . 20 A 16 LYS middle . . 21 A 17 GLU middle . . 22 A 18 GLY middle . false 23 A 19 GLU middle . . 24 A 20 LYS middle . . 25 A 21 ILE middle . . 26 A 22 ARG middle . . 27 A 23 LYS middle . . 28 A 24 LYS middle . . 29 A 25 TYR middle . . 30 A 26 PRO middle . false 31 A 27 ASP middle . . 32 A 28 ARG middle . . 33 A 29 VAL middle . . 34 A 30 PRO middle . false 35 A 31 VAL middle . . 36 A 32 ILE middle . . 37 A 33 VAL middle . . 38 A 34 GLU middle . . 39 A 35 LYS middle . . 40 A 36 ALA middle . . 41 A 37 PRO middle . false 42 A 38 LYS middle . . 43 A 39 ALA middle . . 44 A 40 ARG middle . . 45 A 41 VAL middle . . 46 A 42 PRO middle . false 47 A 43 ASP middle . . 48 A 44 LEU middle . . 49 A 45 ASP middle . . 50 A 46 LYS middle . . 51 A 47 ARG middle . . 52 A 48 LYS middle . . 53 A 49 TYR middle . . 54 A 50 LEU middle . . 55 A 51 VAL middle . . 56 A 52 PRO middle . false 57 A 53 SER middle . . 58 A 54 ASP middle . . 59 A 55 LEU middle . . 60 A 56 THR middle . . 61 A 57 VAL middle . . 62 A 58 GLY middle . false 63 A 59 GLN middle . . 64 A 60 PHE middle . . 65 A 61 TYR middle . . 66 A 62 PHE middle . . 67 A 63 LEU middle . . 68 A 64 ILE middle . . 69 A 65 ARG middle . . 70 A 66 LYS middle . . 71 A 67 ARG middle . . 72 A 68 ILE middle . . 73 A 69 HIS middle . . 74 A 70 LEU middle . . 75 A 71 ARG middle . . 76 A 72 PRO middle . false 77 A 73 GLU middle . . 78 A 74 ASP middle . . 79 A 75 ALA middle . . 80 A 76 LEU middle . . 81 A 77 PHE middle . . 82 A 78 PHE middle . . 83 A 79 PHE middle . . 84 A 80 VAL middle . . 85 A 81 ASN middle . . 86 A 82 ASN middle . . 87 A 83 THR middle . . 88 A 84 ILE middle . . 89 A 85 PRO middle . false 90 A 86 PRO middle . false 91 A 87 THR middle . . 92 A 88 SER middle . . 93 A 89 ALA middle . . 94 A 90 THR middle . . 95 A 91 MET middle . . 96 A 92 GLY middle . false 97 A 93 GLN middle . . 98 A 94 LEU middle . . 99 A 95 TYR middle . . 100 A 96 GLU middle . . 101 A 97 ASP middle . . 102 A 98 ASN middle . . 103 A 99 HIS middle . . 104 A 100 GLU middle . . 105 A 101 GLU middle . . 106 A 102 ASP middle . . 107 A 103 TYR middle . . 108 A 104 PHE middle . . 109 A 105 LEU middle . . 110 A 106 TYR middle . . 111 A 107 VAL middle . . 112 A 108 ALA middle . . 113 A 109 TYR middle . . 114 A 110 SER middle . . 115 A 111 ASP middle . . 116 A 112 GLU middle . . 117 A 113 SER middle . . 118 A 114 VAL middle . . 119 A 115 TYR end . . 120 B 722 GLY start . false 121 B 723 ALA middle . . 122 B 724 MET middle . . 123 B 725 GLY middle . false 124 B 726 SER middle . . 125 B 727 ALA middle . . 126 B 728 SER middle . . 127 B 729 SER middle . . 128 B 730 GLU middle . . 129 B 731 ASP middle . . 130 B 732 TYR middle . . 131 B 733 ILE middle . . 132 B 734 ILE middle . . 133 B 735 ILE middle . . 134 B 736 LEU middle . . 135 B 737 PRO middle . false 136 B 738 GLU middle . . 137 B 739 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 PRO HA H 1 4.286 0.020 A -1 PRO HBy H 1 1.984 0.020 A -1 PRO HBx H 1 1.843 0.020 A -1 PRO HDx H 1 3.655 0.020 A -1 PRO HDy H 1 3.655 0.020 A -1 PRO HGy H 1 1.840 0.020 A -1 PRO HGx H 1 1.610 0.020 A -1 PRO C C 13 176.190 0.400 A -1 PRO CA C 13 63.200 0.400 A -1 PRO CB C 13 31.860 0.400 A -1 PRO CD C 13 50.530 0.400 A -1 PRO CG C 13 27.270 0.400 A 0 GLU H H 1 8.245 0.020 A 0 GLU HA H 1 4.185 0.020 A 0 GLU HBx H 1 1.843 0.020 A 0 GLU HBy H 1 1.843 0.020 A 0 GLU HGx H 1 2.127 0.020 A 0 GLU HGy H 1 2.127 0.020 A 0 GLU C C 13 175.680 0.400 A 0 GLU CA C 13 56.151 0.400 A 0 GLU CB C 13 30.390 0.400 A 0 GLU CG C 13 36.192 0.400 A 0 GLU N N 15 120.766 0.400 A 1 PHE H H 1 8.139 0.020 A 1 PHE HA H 1 4.348 0.020 A 1 PHE HBx H 1 2.809 0.020 A 1 PHE HBy H 1 2.809 0.020 A 1 PHE HDx H 1 6.734 0.020 A 1 PHE HDy H 1 6.734 0.020 A 1 PHE C C 13 174.612 0.400 A 1 PHE CA C 13 57.477 0.400 A 1 PHE CB C 13 39.381 0.400 A 1 PHE N N 15 122.365 0.400 A 2 LYS H H 1 7.923 0.020 A 2 LYS HA H 1 4.427 0.020 A 2 LYS HBy H 1 1.645 0.020 A 2 LYS HBx H 1 1.574 0.020 A 2 LYS HDx H 1 1.579 0.020 A 2 LYS HDy H 1 1.579 0.020 A 2 LYS HGy H 1 1.355 0.020 A 2 LYS HGx H 1 1.297 0.020 A 2 LYS C C 13 175.064 0.400 A 2 LYS CA C 13 55.171 0.400 A 2 LYS CB C 13 33.291 0.400 A 2 LYS CD C 13 29.022 0.400 A 2 LYS CE C 13 42.105 0.400 A 2 LYS CG C 13 24.512 0.400 A 2 LYS N N 15 124.903 0.400 A 3 PHE H H 1 8.417 0.020 A 3 PHE HA H 1 4.537 0.020 A 3 PHE HBx H 1 2.624 0.020 A 3 PHE HBy H 1 3.199 0.020 A 3 PHE HDx H 1 7.294 0.020 A 3 PHE HDy H 1 7.294 0.020 A 3 PHE HEx H 1 7.404 0.020 A 3 PHE HEy H 1 7.404 0.020 A 3 PHE CA C 13 58.298 0.400 A 3 PHE CB C 13 39.777 0.400 A 3 PHE CDy C 13 131.675 0.400 A 3 PHE CEy C 13 131.788 0.400 A 3 PHE N N 15 123.201 0.400 A 5 TYR HBy H 1 3.440 0.020 A 5 TYR HBx H 1 2.744 0.020 A 5 TYR HDx H 1 7.183 0.020 A 5 TYR HEx H 1 6.225 0.020 A 5 TYR HEy H 1 6.225 0.020 A 5 TYR CDx C 13 133.055 0.400 A 5 TYR CEx C 13 117.941 0.400 A 9 HIS HD2 H 1 6.376 0.020 A 9 HIS CD2 C 13 128.179 0.400 A 11 PHE HA H 1 3.985 0.020 A 11 PHE HBy H 1 3.473 0.020 A 11 PHE HBx H 1 3.006 0.020 A 11 PHE HDx H 1 7.315 0.020 A 11 PHE HDy H 1 7.315 0.020 A 11 PHE C C 13 175.911 0.400 A 11 PHE CA C 13 63.038 0.400 A 11 PHE CB C 13 39.655 0.400 A 11 PHE CDx C 13 131.930 0.400 A 12 GLU H H 1 9.514 0.020 A 12 GLU HA H 1 3.732 0.020 A 12 GLU HBy H 1 2.100 0.020 A 12 GLU HBx H 1 2.027 0.020 A 12 GLU HGx H 1 2.427 0.020 A 12 GLU HGy H 1 2.427 0.020 A 12 GLU C C 13 178.856 0.400 A 12 GLU CA C 13 60.168 0.400 A 12 GLU CB C 13 28.899 0.400 A 12 GLU CG C 13 36.569 0.400 A 12 GLU N N 15 115.891 0.400 A 13 TYR H H 1 6.972 0.020 A 13 TYR HA H 1 4.202 0.020 A 13 TYR HBy H 1 3.280 0.020 A 13 TYR HBx H 1 3.195 0.020 A 13 TYR HDx H 1 6.985 0.020 A 13 TYR HDy H 1 6.985 0.020 A 13 TYR CA C 13 60.635 0.400 A 13 TYR CB C 13 37.988 0.400 A 13 TYR CDx C 13 132.868 0.400 A 13 TYR N N 15 118.519 0.400 A 14 ARG H H 1 8.050 0.020 A 15 LYS H H 1 8.840 0.020 A 15 LYS HA H 1 4.375 0.020 A 15 LYS HBy H 1 1.454 0.020 A 15 LYS HBx H 1 0.956 0.020 A 15 LYS HDy H 1 1.764 0.020 A 15 LYS HDx H 1 1.648 0.020 A 15 LYS HEy H 1 3.073 0.020 A 15 LYS HEx H 1 2.800 0.020 A 15 LYS HGy H 1 1.509 0.020 A 15 LYS HGx H 1 1.431 0.020 A 15 LYS C C 13 178.200 0.400 A 15 LYS CA C 13 58.963 0.400 A 15 LYS CB C 13 32.146 0.400 A 15 LYS CD C 13 30.100 0.400 A 15 LYS CE C 13 42.485 0.400 A 15 LYS CG C 13 25.277 0.400 A 15 LYS N N 15 118.047 0.400 A 16 LYS H H 1 7.289 0.020 A 16 LYS HA H 1 4.084 0.020 A 16 LYS HBx H 1 1.852 0.020 A 16 LYS HBy H 1 1.852 0.020 A 16 LYS HDx H 1 1.679 0.020 A 16 LYS HDy H 1 1.679 0.020 A 16 LYS HEx H 1 2.956 0.020 A 16 LYS HEy H 1 2.956 0.020 A 16 LYS HGx H 1 1.444 0.020 A 16 LYS HGy H 1 1.581 0.020 A 16 LYS C C 13 179.543 0.400 A 16 LYS CA C 13 59.294 0.400 A 16 LYS CB C 13 32.311 0.400 A 16 LYS CD C 13 29.302 0.400 A 16 LYS CE C 13 42.075 0.400 A 16 LYS CG C 13 25.326 0.400 A 16 LYS N N 15 117.328 0.400 A 17 GLU H H 1 7.743 0.020 A 17 GLU HA H 1 4.024 0.020 A 17 GLU HBx H 1 1.856 0.020 A 17 GLU HBy H 1 2.200 0.020 A 17 GLU HGx H 1 2.240 0.020 A 17 GLU HGy H 1 2.315 0.020 A 17 GLU C C 13 178.826 0.400 A 17 GLU CA C 13 59.539 0.400 A 17 GLU CB C 13 28.993 0.400 A 17 GLU CG C 13 36.364 0.400 A 17 GLU N N 15 120.014 0.400 A 18 GLY H H 1 9.483 0.020 A 18 GLY HAy H 1 4.005 0.020 A 18 GLY HAx H 1 3.090 0.020 A 18 GLY CA C 13 47.067 0.400 A 18 GLY N N 15 110.613 0.400 A 19 GLU H H 1 8.531 0.020 A 19 GLU HA H 1 3.285 0.020 A 19 GLU HBy H 1 1.905 0.020 A 19 GLU HBx H 1 1.815 0.020 A 19 GLU HGy H 1 2.205 0.020 A 19 GLU HGx H 1 1.885 0.020 A 19 GLU C C 13 179.404 0.400 A 19 GLU CA C 13 59.460 0.400 A 19 GLU CB C 13 30.030 0.400 A 19 GLU CG C 13 37.172 0.400 A 19 GLU N N 15 119.879 0.400 A 20 LYS H H 1 7.505 0.020 A 20 LYS HA H 1 3.867 0.020 A 20 LYS HBy H 1 1.921 0.020 A 20 LYS HBx H 1 1.550 0.020 A 20 LYS HGx H 1 1.350 0.020 A 20 LYS HGy H 1 1.350 0.020 A 20 LYS C C 13 179.743 0.400 A 20 LYS CA C 13 58.631 0.400 A 20 LYS CB C 13 33.621 0.400 A 20 LYS N N 15 118.556 0.400 A 21 ILE HA H 1 4.285 0.020 A 21 ILE HB H 1 1.976 0.020 A 21 ILE HD1% H 1 0.720 0.020 A 21 ILE HG1y H 1 1.265 0.020 A 21 ILE HG1x H 1 1.101 0.020 A 21 ILE HG2% H 1 0.398 0.020 A 21 ILE CA C 13 61.420 0.400 A 21 ILE CB C 13 37.690 0.400 A 21 ILE CD1 C 13 13.430 0.400 A 21 ILE CG1 C 13 26.180 0.400 A 21 ILE CG2 C 13 18.050 0.400 A 22 ARG HA H 1 4.081 0.020 A 22 ARG HBy H 1 1.750 0.020 A 22 ARG HBx H 1 1.450 0.020 A 22 ARG HDy H 1 3.235 0.020 A 22 ARG HDx H 1 3.110 0.020 A 22 ARG HGx H 1 1.583 0.020 A 22 ARG HGy H 1 1.583 0.020 A 22 ARG CA C 13 56.660 0.400 A 22 ARG CB C 13 28.250 0.400 A 22 ARG CD C 13 41.347 0.400 A 22 ARG CG C 13 26.571 0.400 A 23 LYS H H 1 7.280 0.020 A 23 LYS HA H 1 3.952 0.020 A 23 LYS HBy H 1 1.763 0.020 A 23 LYS HBx H 1 1.561 0.020 A 23 LYS HDy H 1 1.561 0.020 A 23 LYS HDx H 1 1.441 0.020 A 23 LYS HEx H 1 2.885 0.020 A 23 LYS HEy H 1 2.885 0.020 A 23 LYS HGy H 1 1.441 0.020 A 23 LYS HGx H 1 1.347 0.020 A 23 LYS C C 13 178.065 0.400 A 23 LYS CA C 13 58.120 0.400 A 23 LYS CB C 13 32.600 0.400 A 23 LYS CD C 13 29.110 0.400 A 23 LYS CE C 13 42.090 0.400 A 23 LYS CG C 13 25.260 0.400 A 23 LYS N N 15 117.328 0.400 A 24 LYS H H 1 7.632 0.020 A 24 LYS HA H 1 3.769 0.020 A 24 LYS HBy H 1 1.571 0.020 A 24 LYS HBx H 1 1.352 0.020 A 24 LYS HDy H 1 1.457 0.020 A 24 LYS HDx H 1 1.405 0.020 A 24 LYS HEx H 1 2.825 0.020 A 24 LYS HEy H 1 2.825 0.020 A 24 LYS HGy H 1 0.970 0.020 A 24 LYS HGx H 1 0.520 0.020 A 24 LYS C C 13 176.300 0.400 A 24 LYS CA C 13 58.560 0.400 A 24 LYS CB C 13 33.660 0.400 A 24 LYS CD C 13 29.420 0.400 A 24 LYS CE C 13 42.980 0.400 A 24 LYS CG C 13 24.980 0.400 A 24 LYS N N 15 118.808 0.400 A 25 TYR H H 1 7.654 0.020 A 25 TYR HA H 1 5.000 0.020 A 25 TYR HBy H 1 2.724 0.020 A 25 TYR HBx H 1 2.609 0.020 A 25 TYR HDx H 1 7.024 0.020 A 25 TYR HDy H 1 7.024 0.020 A 25 TYR HEx H 1 6.621 0.020 A 25 TYR HEy H 1 6.621 0.020 A 25 TYR CA C 13 54.017 0.400 A 25 TYR CB C 13 38.840 0.400 A 25 TYR CDx C 13 133.880 0.400 A 25 TYR CEx C 13 117.379 0.400 A 25 TYR N N 15 114.470 0.400 A 26 PRO HA H 1 4.475 0.020 A 26 PRO HBy H 1 2.295 0.020 A 26 PRO HBx H 1 1.914 0.020 A 26 PRO HDy H 1 3.574 0.020 A 26 PRO HDx H 1 3.273 0.020 A 26 PRO HGx H 1 1.921 0.020 A 26 PRO HGy H 1 1.921 0.020 A 26 PRO C C 13 177.157 0.400 A 26 PRO CA C 13 64.703 0.400 A 26 PRO CB C 13 31.967 0.400 A 26 PRO CD C 13 49.909 0.400 A 26 PRO CG C 13 27.262 0.400 A 27 ASP H H 1 8.555 0.020 A 27 ASP HA H 1 4.669 0.020 A 27 ASP HBy H 1 2.841 0.020 A 27 ASP HBx H 1 2.677 0.020 A 27 ASP C C 13 175.434 0.400 A 27 ASP CA C 13 53.211 0.400 A 27 ASP CB C 13 40.290 0.400 A 27 ASP N N 15 115.244 0.400 A 28 ARG H H 1 7.795 0.020 A 28 ARG HA H 1 4.900 0.020 A 28 ARG HBy H 1 1.315 0.020 A 28 ARG HBx H 1 1.160 0.020 A 28 ARG C C 13 174.316 0.400 A 28 ARG CA C 13 53.684 0.400 A 28 ARG CB C 13 34.332 0.400 A 28 ARG CD C 13 43.190 0.400 A 28 ARG CG C 13 28.084 0.400 A 28 ARG N N 15 119.386 0.400 A 29 VAL H H 1 8.945 0.020 A 29 VAL HA H 1 4.262 0.020 A 29 VAL HB H 1 1.320 0.020 A 29 VAL HGx% H 1 0.290 0.020 A 29 VAL HGy% H 1 0.500 0.020 A 29 VAL CA C 13 56.505 0.400 A 29 VAL CB C 13 33.500 0.400 A 29 VAL CGx C 13 22.010 0.400 A 29 VAL N N 15 114.109 0.400 A 30 PRO HA H 1 5.233 0.020 A 30 PRO HBy H 1 2.065 0.020 A 30 PRO HBx H 1 1.595 0.020 A 30 PRO HDx H 1 3.336 0.020 A 30 PRO HDy H 1 3.366 0.020 A 30 PRO HGy H 1 2.601 0.020 A 30 PRO HGx H 1 1.445 0.020 A 30 PRO C C 13 175.054 0.400 A 30 PRO CA C 13 61.359 0.400 A 30 PRO CB C 13 31.714 0.400 A 30 PRO CD C 13 50.403 0.400 A 30 PRO CG C 13 26.455 0.400 A 31 VAL H H 1 9.186 0.020 A 31 VAL HA H 1 5.000 0.020 A 31 VAL HB H 1 1.787 0.020 A 31 VAL HGx% H 1 0.685 0.020 A 31 VAL HGy% H 1 0.597 0.020 A 31 VAL C C 13 174.155 0.400 A 31 VAL CA C 13 60.110 0.400 A 31 VAL CB C 13 36.022 0.400 A 31 VAL CGy C 13 22.836 0.400 A 31 VAL CGx C 13 22.764 0.400 A 31 VAL N N 15 123.563 0.400 A 32 ILE H H 1 8.905 0.020 A 32 ILE HA H 1 5.040 0.020 A 32 ILE HB H 1 1.435 0.020 A 32 ILE HD1% H 1 -0.540 0.020 A 32 ILE HG1x H 1 0.726 0.020 A 32 ILE HG1y H 1 0.726 0.020 A 32 ILE HG2% H 1 0.806 0.020 A 32 ILE C C 13 175.179 0.400 A 32 ILE CA C 13 57.074 0.400 A 32 ILE CB C 13 36.840 0.400 A 32 ILE CD1 C 13 8.991 0.400 A 32 ILE CG1 C 13 26.347 0.400 A 32 ILE CG2 C 13 17.644 0.400 A 32 ILE N N 15 128.757 0.400 A 33 VAL H H 1 9.059 0.020 A 33 VAL HA H 1 5.684 0.020 A 33 VAL HB H 1 2.050 0.020 A 33 VAL HGx% H 1 0.851 0.020 A 33 VAL HGy% H 1 0.794 0.020 A 33 VAL C C 13 175.706 0.400 A 33 VAL CA C 13 60.151 0.400 A 33 VAL CB C 13 33.615 0.400 A 33 VAL CGx C 13 22.489 0.400 A 33 VAL CGy C 13 22.489 0.400 A 33 VAL N N 15 126.771 0.400 A 34 GLU H H 1 8.784 0.020 A 34 GLU HA H 1 4.908 0.020 A 34 GLU HBy H 1 2.297 0.020 A 34 GLU HBx H 1 1.922 0.020 A 34 GLU HGx H 1 2.584 0.020 A 34 GLU HGy H 1 2.584 0.020 A 34 GLU C C 13 174.175 0.400 A 34 GLU CA C 13 55.058 0.400 A 34 GLU CB C 13 36.188 0.400 A 34 GLU CG C 13 38.443 0.400 A 34 GLU N N 15 122.024 0.400 A 35 LYS H H 1 8.637 0.020 A 35 LYS HA H 1 2.965 0.020 A 35 LYS HBy H 1 1.666 0.020 A 35 LYS HBx H 1 1.506 0.020 A 35 LYS HDy H 1 1.409 0.020 A 35 LYS HDx H 1 0.895 0.020 A 35 LYS HEx H 1 2.997 0.020 A 35 LYS HEy H 1 3.009 0.020 A 35 LYS HGx H 1 1.637 0.020 A 35 LYS HGy H 1 1.637 0.020 A 35 LYS C C 13 176.843 0.400 A 35 LYS CA C 13 55.730 0.400 A 35 LYS CB C 13 33.137 0.400 A 35 LYS CD C 13 29.344 0.400 A 35 LYS CE C 13 41.882 0.400 A 35 LYS CG C 13 23.072 0.400 A 35 LYS N N 15 122.712 0.400 A 36 ALA H H 1 8.718 0.020 A 36 ALA HA H 1 4.213 0.020 A 36 ALA HB% H 1 1.227 0.020 A 36 ALA C C 13 176.255 0.400 A 36 ALA CA C 13 50.538 0.400 A 36 ALA CB C 13 17.615 0.400 A 36 ALA N N 15 129.833 0.400 A 37 PRO HA H 1 4.212 0.020 A 37 PRO HBy H 1 2.313 0.020 A 37 PRO HBx H 1 1.835 0.020 A 37 PRO HDy H 1 3.515 0.020 A 37 PRO HDx H 1 3.316 0.020 A 37 PRO HGx H 1 1.885 0.020 A 37 PRO HGy H 1 1.950 0.020 A 37 PRO C C 13 177.994 0.400 A 37 PRO CA C 13 65.312 0.400 A 37 PRO CB C 13 32.118 0.400 A 37 PRO CD C 13 50.046 0.400 A 37 PRO CG C 13 27.665 0.400 A 38 LYS H H 1 8.653 0.020 A 38 LYS HA H 1 4.132 0.020 A 38 LYS HBy H 1 1.948 0.020 A 38 LYS HBx H 1 1.867 0.020 A 38 LYS HDx H 1 1.629 0.020 A 38 LYS HDy H 1 1.629 0.020 A 38 LYS HEx H 1 2.934 0.020 A 38 LYS HEy H 1 2.934 0.020 A 38 LYS HGx H 1 1.374 0.020 A 38 LYS HGy H 1 1.374 0.020 A 38 LYS C C 13 176.761 0.400 A 38 LYS CA C 13 56.765 0.400 A 38 LYS CB C 13 31.463 0.400 A 38 LYS CD C 13 29.022 0.400 A 38 LYS CE C 13 42.055 0.400 A 38 LYS CG C 13 25.330 0.400 A 38 LYS N N 15 114.690 0.400 A 39 ALA H H 1 7.599 0.020 A 39 ALA HA H 1 4.545 0.020 A 39 ALA HB% H 1 1.661 0.020 A 39 ALA C C 13 178.532 0.400 A 39 ALA CA C 13 52.646 0.400 A 39 ALA CB C 13 21.300 0.400 A 39 ALA N N 15 122.218 0.400 A 40 ARG H H 1 9.174 0.020 A 40 ARG HA H 1 4.537 0.020 A 40 ARG HBy H 1 1.995 0.020 A 40 ARG HBx H 1 1.880 0.020 A 40 ARG HDy H 1 3.278 0.020 A 40 ARG HDx H 1 3.244 0.020 A 40 ARG HGy H 1 1.822 0.020 A 40 ARG HGx H 1 1.656 0.020 A 40 ARG C C 13 176.084 0.400 A 40 ARG CA C 13 55.619 0.400 A 40 ARG CB C 13 28.976 0.400 A 40 ARG CD C 13 43.432 0.400 A 40 ARG CG C 13 27.358 0.400 A 40 ARG N N 15 125.425 0.400 A 41 VAL H H 1 6.916 0.020 A 41 VAL HA H 1 4.775 0.020 A 41 VAL HB H 1 2.308 0.020 A 41 VAL HGx% H 1 1.198 0.020 A 41 VAL HGy% H 1 1.029 0.020 A 41 VAL C C 13 172.466 0.400 A 41 VAL CA C 13 58.210 0.400 A 41 VAL CB C 13 33.069 0.400 A 41 VAL CGy C 13 19.960 0.400 A 41 VAL N N 15 112.820 0.400 A 42 PRO HA H 1 4.502 0.020 A 42 PRO HBy H 1 2.520 0.020 A 42 PRO HBx H 1 1.860 0.020 A 42 PRO HDy H 1 4.017 0.020 A 42 PRO HDx H 1 3.434 0.020 A 42 PRO HGy H 1 2.233 0.020 A 42 PRO HGx H 1 1.989 0.020 A 42 PRO C C 13 176.227 0.400 A 42 PRO CA C 13 63.097 0.400 A 42 PRO CB C 13 32.979 0.400 A 42 PRO CD C 13 51.354 0.400 A 42 PRO CG C 13 27.929 0.400 A 43 ASP H H 1 8.350 0.020 A 43 ASP HA H 1 4.688 0.020 A 43 ASP HBy H 1 2.724 0.020 A 43 ASP HBx H 1 2.501 0.020 A 43 ASP C C 13 175.582 0.400 A 43 ASP CA C 13 54.450 0.400 A 43 ASP CB C 13 42.547 0.400 A 43 ASP N N 15 119.556 0.400 A 44 LEU H H 1 7.992 0.020 A 44 LEU HA H 1 4.337 0.020 A 44 LEU HBy H 1 1.887 0.020 A 44 LEU HBx H 1 1.836 0.020 A 44 LEU HDx% H 1 0.940 0.020 A 44 LEU HDy% H 1 0.750 0.020 A 44 LEU HG H 1 0.920 0.020 A 44 LEU CA C 13 54.593 0.400 A 44 LEU CB C 13 44.300 0.400 A 44 LEU CDx C 13 25.544 0.400 A 44 LEU CG C 13 26.060 0.400 A 44 LEU N N 15 124.027 0.400 A 45 ASP H H 1 8.744 0.020 A 45 ASP HA H 1 4.352 0.020 A 45 ASP HBy H 1 2.880 0.020 A 45 ASP HBx H 1 2.744 0.020 A 45 ASP CA C 13 56.056 0.400 A 45 ASP CB C 13 39.997 0.400 A 45 ASP N N 15 121.978 0.400 A 46 LYS H H 1 7.476 0.020 A 46 LYS HA H 1 4.335 0.020 A 46 LYS HBy H 1 1.810 0.020 A 46 LYS HBx H 1 1.800 0.020 A 46 LYS HEx H 1 2.827 0.020 A 46 LYS HEy H 1 2.827 0.020 A 46 LYS CA C 13 54.176 0.400 A 46 LYS CB C 13 34.230 0.400 A 46 LYS N N 15 119.408 0.400 A 47 ARG H H 1 8.150 0.020 A 48 LYS H H 1 9.070 0.020 A 48 LYS HA H 1 5.082 0.020 A 48 LYS HBy H 1 1.320 0.020 A 48 LYS HBx H 1 1.310 0.020 A 48 LYS CA C 13 55.400 0.400 A 48 LYS CB C 13 33.941 0.400 A 49 TYR H H 1 9.645 0.020 A 49 TYR HA H 1 5.060 0.020 A 49 TYR HBy H 1 2.822 0.020 A 49 TYR HBx H 1 2.723 0.020 A 49 TYR HDx H 1 6.960 0.020 A 49 TYR HDy H 1 6.960 0.020 A 49 TYR HEx H 1 6.585 0.020 A 49 TYR HEy H 1 6.585 0.020 A 49 TYR CA C 13 57.270 0.400 A 49 TYR CB C 13 42.952 0.400 A 49 TYR CDx C 13 132.665 0.400 A 49 TYR CEx C 13 118.050 0.400 A 49 TYR N N 15 123.691 0.400 A 50 LEU H H 1 8.943 0.020 A 50 LEU HA H 1 4.947 0.020 A 50 LEU HBy H 1 1.130 0.020 A 50 LEU HBx H 1 1.110 0.020 A 50 LEU HDx% H 1 0.070 0.020 A 50 LEU HG H 1 0.900 0.020 A 50 LEU CA C 13 53.423 0.400 A 50 LEU CB C 13 44.002 0.400 A 50 LEU CDx C 13 24.321 0.400 A 50 LEU CG C 13 26.850 0.400 A 50 LEU N N 15 123.011 0.400 A 51 VAL H H 1 8.726 0.020 A 51 VAL HA H 1 4.862 0.020 A 51 VAL HB H 1 1.315 0.020 A 51 VAL HGx% H 1 0.285 0.020 A 51 VAL CGx C 13 21.960 0.400 A 52 PRO HA H 1 4.467 0.020 A 52 PRO HBy H 1 2.610 0.020 A 52 PRO HBx H 1 2.030 0.020 A 52 PRO HDx H 1 4.100 0.020 A 52 PRO HDy H 1 4.100 0.020 A 52 PRO HGx H 1 2.120 0.020 A 52 PRO CA C 13 63.675 0.400 A 52 PRO CB C 13 32.372 0.400 A 52 PRO CD C 13 51.407 0.400 A 52 PRO CG C 13 28.531 0.400 A 53 SER H H 1 8.395 0.020 A 53 SER HA H 1 3.680 0.020 A 53 SER HBy H 1 3.740 0.020 A 53 SER HBx H 1 3.693 0.020 A 53 SER C C 13 174.682 0.400 A 53 SER CA C 13 61.308 0.400 A 53 SER CB C 13 62.923 0.400 A 53 SER N N 15 118.990 0.400 A 54 ASP H H 1 8.327 0.020 A 54 ASP HA H 1 4.548 0.020 A 54 ASP HBy H 1 2.778 0.020 A 54 ASP HBx H 1 2.665 0.020 A 54 ASP C C 13 176.366 0.400 A 54 ASP CA C 13 53.520 0.400 A 54 ASP CB C 13 40.191 0.400 A 54 ASP N N 15 115.343 0.400 A 55 LEU H H 1 7.377 0.020 A 55 LEU HA H 1 4.290 0.020 A 55 LEU HBy H 1 1.681 0.020 A 55 LEU HBx H 1 1.434 0.020 A 55 LEU HDx% H 1 0.920 0.020 A 55 LEU HDy% H 1 0.980 0.020 A 55 LEU HG H 1 0.849 0.020 A 55 LEU C C 13 177.089 0.400 A 55 LEU CA C 13 55.572 0.400 A 55 LEU CB C 13 43.770 0.400 A 55 LEU CDx C 13 25.514 0.400 A 55 LEU CDy C 13 25.800 0.400 A 55 LEU CG C 13 26.999 0.400 A 55 LEU N N 15 123.243 0.400 A 56 THR H H 1 8.750 0.020 A 56 THR HA H 1 4.935 0.020 A 56 THR HB H 1 4.192 0.020 A 56 THR HG2% H 1 1.262 0.020 A 56 THR C C 13 176.342 0.400 A 56 THR CA C 13 61.281 0.400 A 56 THR CB C 13 71.430 0.400 A 56 THR CG2 C 13 22.179 0.400 A 56 THR N N 15 116.283 0.400 A 57 VAL H H 1 9.101 0.020 A 57 VAL HA H 1 3.718 0.020 A 57 VAL HB H 1 2.324 0.020 A 57 VAL HGx% H 1 0.983 0.020 A 57 VAL HGy% H 1 0.831 0.020 A 57 VAL C C 13 178.799 0.400 A 57 VAL CA C 13 66.509 0.400 A 57 VAL CB C 13 31.611 0.400 A 57 VAL CGy C 13 24.848 0.400 A 57 VAL CGx C 13 22.156 0.400 A 57 VAL N N 15 122.900 0.400 A 58 GLY H H 1 8.953 0.020 A 58 GLY HAy H 1 4.064 0.020 A 58 GLY HAx H 1 3.840 0.020 A 58 GLY C C 13 176.438 0.400 A 58 GLY CA C 13 47.660 0.400 A 58 GLY N N 15 105.350 0.400 A 59 GLN H H 1 8.080 0.020 A 59 GLN HA H 1 4.253 0.020 A 59 GLN HBy H 1 2.480 0.020 A 59 GLN HBx H 1 2.056 0.020 A 59 GLN HE2y H 1 7.622 0.020 A 59 GLN HE2x H 1 6.877 0.020 A 59 GLN HGx H 1 2.490 0.020 A 59 GLN HGy H 1 2.490 0.020 A 59 GLN C C 13 179.186 0.400 A 59 GLN CA C 13 58.957 0.400 A 59 GLN CB C 13 29.022 0.400 A 59 GLN CG C 13 35.105 0.400 A 59 GLN N N 15 121.634 0.400 A 60 PHE H H 1 8.686 0.020 A 60 PHE HA H 1 4.432 0.020 A 60 PHE HBy H 1 3.351 0.020 A 60 PHE HBx H 1 3.126 0.020 A 60 PHE HDx H 1 6.960 0.020 A 60 PHE HDy H 1 6.960 0.020 A 60 PHE HEx H 1 6.566 0.020 A 60 PHE HEy H 1 6.566 0.020 A 60 PHE HZ H 1 6.387 0.020 A 60 PHE C C 13 177.163 0.400 A 60 PHE CA C 13 60.956 0.400 A 60 PHE CB C 13 39.405 0.400 A 60 PHE CDy C 13 131.256 0.400 A 60 PHE CEy C 13 130.029 0.400 A 60 PHE CZ C 13 128.732 0.400 A 60 PHE N N 15 123.410 0.400 A 61 TYR H H 1 9.135 0.020 A 61 TYR HA H 1 3.798 0.020 A 61 TYR HBy H 1 2.935 0.020 A 61 TYR HBx H 1 2.816 0.020 A 61 TYR HDx H 1 6.119 0.020 A 61 TYR HDy H 1 6.119 0.020 A 61 TYR HEx H 1 6.125 0.020 A 61 TYR HEy H 1 6.125 0.020 A 61 TYR C C 13 177.896 0.400 A 61 TYR CA C 13 61.135 0.400 A 61 TYR CB C 13 38.045 0.400 A 61 TYR CDx C 13 131.880 0.400 A 61 TYR CEx C 13 118.072 0.400 A 61 TYR N N 15 118.605 0.400 A 62 PHE H H 1 7.584 0.020 A 62 PHE HA H 1 3.960 0.020 A 62 PHE HBy H 1 3.285 0.020 A 62 PHE HBx H 1 3.186 0.020 A 62 PHE HDx H 1 7.300 0.020 A 62 PHE HDy H 1 7.300 0.020 A 62 PHE HEx H 1 7.298 0.020 A 62 PHE HEy H 1 7.298 0.020 A 62 PHE C C 13 178.488 0.400 A 62 PHE CA C 13 61.919 0.400 A 62 PHE CB C 13 38.751 0.400 A 62 PHE CDy C 13 131.920 0.400 A 62 PHE N N 15 117.541 0.400 A 63 LEU H H 1 7.732 0.020 A 63 LEU HA H 1 3.959 0.020 A 63 LEU HBy H 1 1.945 0.020 A 63 LEU HBx H 1 1.510 0.020 A 63 LEU HDx% H 1 1.000 0.020 A 63 LEU HDy% H 1 1.200 0.020 A 63 LEU HG H 1 1.577 0.020 A 63 LEU CA C 13 58.072 0.400 A 63 LEU CB C 13 41.594 0.400 A 63 LEU CDx C 13 23.597 0.400 A 63 LEU CDy C 13 23.597 0.400 A 63 LEU CG C 13 26.762 0.400 A 63 LEU N N 15 119.371 0.400 A 64 ILE H H 1 7.966 0.020 A 64 ILE HA H 1 3.462 0.020 A 64 ILE HB H 1 1.754 0.020 A 64 ILE HD1% H 1 -0.161 0.020 A 64 ILE HG1y H 1 0.661 0.020 A 64 ILE HG1x H 1 0.252 0.020 A 64 ILE HG2% H 1 0.322 0.020 A 64 ILE C C 13 177.690 0.400 A 64 ILE CA C 13 61.497 0.400 A 64 ILE CB C 13 34.450 0.400 A 64 ILE CD1 C 13 7.162 0.400 A 64 ILE CG1 C 13 26.162 0.400 A 64 ILE CG2 C 13 16.945 0.400 A 64 ILE N N 15 120.879 0.400 A 65 ARG H H 1 8.316 0.020 A 65 ARG HA H 1 3.314 0.020 A 65 ARG HBy H 1 1.571 0.020 A 65 ARG HBx H 1 1.000 0.020 A 65 ARG HGy H 1 1.373 0.020 A 65 ARG HGx H 1 1.303 0.020 A 65 ARG C C 13 178.410 0.400 A 65 ARG CA C 13 60.592 0.400 A 65 ARG CB C 13 29.604 0.400 A 65 ARG CD C 13 43.232 0.400 A 65 ARG CG C 13 29.615 0.400 A 65 ARG N N 15 118.159 0.400 A 66 LYS H H 1 7.258 0.020 A 66 LYS HA H 1 3.993 0.020 A 66 LYS HBy H 1 1.744 0.020 A 66 LYS HBx H 1 1.714 0.020 A 66 LYS HDx H 1 1.584 0.020 A 66 LYS HDy H 1 1.584 0.020 A 66 LYS HEx H 1 2.900 0.020 A 66 LYS HEy H 1 2.900 0.020 A 66 LYS HGy H 1 1.353 0.020 A 66 LYS HGx H 1 1.296 0.020 A 66 LYS C C 13 179.651 0.400 A 66 LYS CA C 13 58.694 0.400 A 66 LYS CB C 13 32.500 0.400 A 66 LYS CD C 13 29.298 0.400 A 66 LYS CE C 13 41.935 0.400 A 66 LYS CG C 13 24.774 0.400 A 66 LYS N N 15 115.289 0.400 A 67 ARG H H 1 7.515 0.020 A 67 ARG HA H 1 3.966 0.020 A 67 ARG HBy H 1 1.891 0.020 A 67 ARG HBx H 1 1.816 0.020 A 67 ARG HDx H 1 3.258 0.020 A 67 ARG HDy H 1 3.258 0.020 A 67 ARG HGx H 1 1.601 0.020 A 67 ARG HGy H 1 1.601 0.020 A 67 ARG C C 13 177.766 0.400 A 67 ARG CA C 13 58.978 0.400 A 67 ARG CB C 13 30.625 0.400 A 67 ARG CD C 13 43.198 0.400 A 67 ARG CG C 13 29.150 0.400 A 67 ARG N N 15 119.363 0.400 A 68 ILE H H 1 7.265 0.020 A 68 ILE HA H 1 4.285 0.020 A 68 ILE HB H 1 1.976 0.020 A 68 ILE HD1% H 1 0.456 0.020 A 68 ILE HG1y H 1 1.242 0.020 A 68 ILE HG1x H 1 1.083 0.020 A 68 ILE HG2% H 1 0.728 0.020 A 68 ILE C C 13 174.078 0.400 A 68 ILE CA C 13 61.424 0.400 A 68 ILE CB C 13 37.684 0.400 A 68 ILE CD1 C 13 14.381 0.400 A 68 ILE CG1 C 13 26.176 0.400 A 68 ILE CG2 C 13 18.591 0.400 A 68 ILE N N 15 110.048 0.400 A 69 HIS H H 1 7.328 0.020 A 69 HIS HA H 1 4.163 0.020 A 69 HIS HBy H 1 3.339 0.020 A 69 HIS HBx H 1 3.311 0.020 A 69 HIS HD2 H 1 7.021 0.020 A 69 HIS C C 13 175.009 0.400 A 69 HIS CA C 13 56.668 0.400 A 69 HIS CB C 13 26.605 0.400 A 69 HIS CD2 C 13 120.070 0.400 A 69 HIS N N 15 114.711 0.400 A 70 LEU H H 1 7.725 0.020 A 70 LEU HA H 1 4.437 0.020 A 70 LEU HBy H 1 1.670 0.020 A 70 LEU HBx H 1 1.306 0.020 A 70 LEU HDx% H 1 0.795 0.020 A 70 LEU HDy% H 1 0.857 0.020 A 70 LEU HG H 1 1.699 0.020 A 70 LEU C C 13 178.168 0.400 A 70 LEU CA C 13 54.869 0.400 A 70 LEU CB C 13 42.751 0.400 A 70 LEU CDy C 13 26.930 0.400 A 70 LEU CDx C 13 23.096 0.400 A 70 LEU CG C 13 27.159 0.400 A 70 LEU N N 15 118.295 0.400 A 71 ARG H H 1 9.171 0.020 A 71 ARG HA H 1 4.520 0.020 A 71 ARG HBy H 1 2.100 0.020 A 71 ARG HBx H 1 1.553 0.020 A 71 ARG HDx H 1 3.279 0.020 A 71 ARG HDy H 1 3.279 0.020 A 71 ARG C C 13 176.349 0.400 A 71 ARG CA C 13 54.603 0.400 A 71 ARG CB C 13 28.663 0.400 A 71 ARG N N 15 124.098 0.400 A 72 PRO HA H 1 4.087 0.020 A 72 PRO HBy H 1 2.334 0.020 A 72 PRO HBx H 1 1.850 0.020 A 72 PRO HDy H 1 3.846 0.020 A 72 PRO HDx H 1 3.764 0.020 A 72 PRO HGx H 1 1.991 0.020 A 72 PRO HGy H 1 2.183 0.020 A 72 PRO C C 13 177.532 0.400 A 72 PRO CA C 13 65.751 0.400 A 72 PRO CB C 13 31.848 0.400 A 72 PRO CD C 13 50.031 0.400 A 72 PRO CG C 13 27.897 0.400 A 73 GLU H H 1 8.945 0.020 A 73 GLU HA H 1 4.123 0.020 A 73 GLU HBx H 1 2.007 0.020 A 73 GLU HBy H 1 2.007 0.020 A 73 GLU HGx H 1 2.217 0.020 A 73 GLU HGy H 1 2.217 0.020 A 73 GLU C C 13 176.834 0.400 A 73 GLU CA C 13 57.400 0.400 A 73 GLU CB C 13 28.732 0.400 A 73 GLU CG C 13 36.012 0.400 A 73 GLU N N 15 112.238 0.400 A 74 ASP H H 1 7.677 0.020 A 74 ASP HA H 1 4.619 0.020 A 74 ASP HBy H 1 2.813 0.020 A 74 ASP HBx H 1 2.780 0.020 A 74 ASP C C 13 175.547 0.400 A 74 ASP CA C 13 54.924 0.400 A 74 ASP CB C 13 42.049 0.400 A 74 ASP N N 15 122.250 0.400 A 75 ALA H H 1 8.528 0.020 A 75 ALA HA H 1 4.106 0.020 A 75 ALA HB% H 1 1.446 0.020 A 75 ALA C C 13 175.789 0.400 A 75 ALA CA C 13 52.199 0.400 A 75 ALA CB C 13 20.583 0.400 A 75 ALA N N 15 127.475 0.400 A 76 LEU H H 1 7.197 0.020 A 76 LEU HA H 1 4.522 0.020 A 76 LEU HBx H 1 1.144 0.020 A 76 LEU HBy H 1 1.171 0.020 A 76 LEU HDx% H 1 0.899 0.020 A 76 LEU HDy% H 1 0.899 0.020 A 76 LEU HG H 1 0.384 0.020 A 76 LEU C C 13 173.675 0.400 A 76 LEU CA C 13 55.137 0.400 A 76 LEU CB C 13 45.072 0.400 A 76 LEU CDx C 13 24.188 0.400 A 76 LEU CDy C 13 24.188 0.400 A 76 LEU CG C 13 26.368 0.400 A 76 LEU N N 15 116.920 0.400 A 77 PHE H H 1 9.311 0.020 A 77 PHE HA H 1 4.720 0.020 A 77 PHE HBx H 1 2.596 0.020 A 77 PHE HBy H 1 2.596 0.020 A 77 PHE HDx H 1 6.953 0.020 A 77 PHE HDy H 1 6.953 0.020 A 77 PHE HEx H 1 7.245 0.020 A 77 PHE HEy H 1 7.245 0.020 A 77 PHE C C 13 174.193 0.400 A 77 PHE CA C 13 57.109 0.400 A 77 PHE CB C 13 42.888 0.400 A 77 PHE CDy C 13 132.319 0.400 A 77 PHE CEy C 13 131.060 0.400 A 77 PHE N N 15 125.025 0.400 A 78 PHE H H 1 8.163 0.020 A 78 PHE HA H 1 5.911 0.020 A 78 PHE HBx H 1 2.866 0.020 A 78 PHE HBy H 1 2.866 0.020 A 78 PHE HDx H 1 6.887 0.020 A 78 PHE HDy H 1 6.887 0.020 A 78 PHE HEx H 1 6.836 0.020 A 78 PHE HEy H 1 6.836 0.020 A 78 PHE HZ H 1 7.262 0.020 A 78 PHE C C 13 173.902 0.400 A 78 PHE CA C 13 52.621 0.400 A 78 PHE CB C 13 41.468 0.400 A 78 PHE CDy C 13 131.676 0.400 A 78 PHE CEy C 13 129.647 0.400 A 78 PHE CZ C 13 129.472 0.400 A 78 PHE N N 15 120.095 0.400 A 79 PHE H H 1 9.186 0.020 A 79 PHE HA H 1 5.125 0.020 A 79 PHE HBx H 1 2.766 0.020 A 79 PHE HBy H 1 2.766 0.020 A 79 PHE HDx H 1 6.887 0.020 A 79 PHE HDy H 1 6.887 0.020 A 79 PHE HEx H 1 7.257 0.020 A 79 PHE HEy H 1 7.257 0.020 A 79 PHE C C 13 176.419 0.400 A 79 PHE CA C 13 56.449 0.400 A 79 PHE CB C 13 43.298 0.400 A 79 PHE CDx C 13 131.675 0.400 A 79 PHE CEx C 13 131.215 0.400 A 79 PHE N N 15 113.475 0.400 A 80 VAL H H 1 9.299 0.020 A 80 VAL HA H 1 4.596 0.020 A 80 VAL HB H 1 1.980 0.020 A 80 VAL HGx% H 1 1.056 0.020 A 80 VAL HGy% H 1 0.926 0.020 A 80 VAL C C 13 176.298 0.400 A 80 VAL CA C 13 60.980 0.400 A 80 VAL CB C 13 34.596 0.400 A 80 VAL CGy C 13 21.950 0.400 A 80 VAL CGx C 13 21.466 0.400 A 80 VAL N N 15 122.057 0.400 A 81 ASN H H 1 10.194 0.020 A 81 ASN HA H 1 4.370 0.020 A 81 ASN HBy H 1 3.126 0.020 A 81 ASN HBx H 1 2.748 0.020 A 81 ASN HD2x H 1 7.088 0.020 A 81 ASN C C 13 175.236 0.400 A 81 ASN CA C 13 55.269 0.400 A 81 ASN CB C 13 37.474 0.400 A 81 ASN N N 15 128.569 0.400 A 82 ASN H H 1 9.000 0.020 A 82 ASN HA H 1 4.238 0.020 A 82 ASN HBy H 1 3.101 0.020 A 82 ASN HBx H 1 3.021 0.020 A 82 ASN HD2y H 1 7.410 0.020 A 82 ASN HD2x H 1 6.821 0.020 A 82 ASN C C 13 174.024 0.400 A 82 ASN CA C 13 55.297 0.400 A 82 ASN CB C 13 38.115 0.400 A 82 ASN N N 15 109.130 0.400 A 83 THR H H 1 7.979 0.020 A 83 THR HA H 1 4.843 0.020 A 83 THR HB H 1 4.176 0.020 A 83 THR HG2% H 1 1.259 0.020 A 83 THR C C 13 172.723 0.400 A 83 THR CA C 13 61.030 0.400 A 83 THR CB C 13 72.137 0.400 A 83 THR CG2 C 13 21.313 0.400 A 83 THR N N 15 113.363 0.400 A 84 ILE H H 1 8.622 0.020 A 84 ILE HA H 1 5.200 0.020 A 84 ILE HB H 1 1.778 0.020 A 84 ILE HD1% H 1 0.788 0.020 A 84 ILE HG1y H 1 1.472 0.020 A 84 ILE HG1x H 1 0.782 0.020 A 84 ILE HG2% H 1 1.143 0.020 A 84 ILE C C 13 175.767 0.400 A 84 ILE CA C 13 58.723 0.400 A 84 ILE CB C 13 38.981 0.400 A 84 ILE CD1 C 13 13.666 0.400 A 84 ILE CG1 C 13 27.235 0.400 A 84 ILE CG2 C 13 16.815 0.400 A 84 ILE N N 15 127.615 0.400 A 85 PRO HDy H 1 4.105 0.020 A 85 PRO HDx H 1 4.015 0.020 A 85 PRO CD C 13 50.890 0.400 A 86 PRO HA H 1 4.717 0.020 A 86 PRO HBy H 1 2.436 0.020 A 86 PRO HBx H 1 2.027 0.020 A 86 PRO HDy H 1 3.950 0.020 A 86 PRO HDx H 1 3.572 0.020 A 86 PRO HGx H 1 2.157 0.020 A 86 PRO HGy H 1 2.157 0.020 A 86 PRO C C 13 178.296 0.400 A 86 PRO CA C 13 62.233 0.400 A 86 PRO CB C 13 31.997 0.400 A 86 PRO CD C 13 50.419 0.400 A 86 PRO CG C 13 27.549 0.400 A 87 THR H H 1 8.519 0.020 A 87 THR HA H 1 3.823 0.020 A 87 THR HB H 1 4.224 0.020 A 87 THR HG2% H 1 1.331 0.020 A 87 THR C C 13 175.746 0.400 A 87 THR CA C 13 64.947 0.400 A 87 THR CB C 13 68.879 0.400 A 87 THR CG2 C 13 22.831 0.400 A 87 THR N N 15 113.155 0.400 A 88 SER H H 1 7.784 0.020 A 88 SER HA H 1 4.418 0.020 A 88 SER HBy H 1 4.086 0.020 A 88 SER HBx H 1 3.901 0.020 A 88 SER C C 13 175.181 0.400 A 88 SER CA C 13 57.936 0.400 A 88 SER CB C 13 63.717 0.400 A 88 SER N N 15 111.260 0.400 A 89 ALA H H 1 7.217 0.020 A 89 ALA HA H 1 4.476 0.020 A 89 ALA HB% H 1 1.483 0.020 A 89 ALA C C 13 177.094 0.400 A 89 ALA CA C 13 52.513 0.400 A 89 ALA CB C 13 18.891 0.400 A 89 ALA N N 15 124.778 0.400 A 90 THR H H 1 8.297 0.020 A 90 THR HA H 1 4.540 0.020 A 90 THR HB H 1 4.854 0.020 A 90 THR HG2% H 1 1.249 0.020 A 90 THR C C 13 176.185 0.400 A 90 THR CA C 13 60.380 0.400 A 90 THR CB C 13 70.445 0.400 A 90 THR CG2 C 13 22.168 0.400 A 90 THR N N 15 109.010 0.400 A 91 MET H H 1 9.380 0.020 A 91 MET HA H 1 4.362 0.020 A 91 MET HBy H 1 1.980 0.020 A 91 MET HBx H 1 1.385 0.020 A 91 MET HE% H 1 1.052 0.020 A 91 MET HGy H 1 2.325 0.020 A 91 MET HGx H 1 2.143 0.020 A 91 MET C C 13 179.571 0.400 A 91 MET CA C 13 55.758 0.400 A 91 MET CB C 13 28.259 0.400 A 91 MET CE C 13 14.946 0.400 A 91 MET CG C 13 31.960 0.400 A 91 MET N N 15 119.935 0.400 A 92 GLY H H 1 9.395 0.020 A 92 GLY HAy H 1 4.036 0.020 A 92 GLY HAx H 1 3.691 0.020 A 92 GLY C C 13 176.109 0.400 A 92 GLY CA C 13 47.278 0.400 A 92 GLY N N 15 107.890 0.400 A 93 GLN H H 1 7.943 0.020 A 93 GLN HA H 1 4.098 0.020 A 93 GLN HBy H 1 2.250 0.020 A 93 GLN HBx H 1 2.143 0.020 A 93 GLN HE2y H 1 7.840 0.020 A 93 GLN HE2x H 1 6.880 0.020 A 93 GLN HGx H 1 2.447 0.020 A 93 GLN HGy H 1 2.447 0.020 A 93 GLN C C 13 178.288 0.400 A 93 GLN CA C 13 58.690 0.400 A 93 GLN CB C 13 28.437 0.400 A 93 GLN CG C 13 33.746 0.400 A 93 GLN N N 15 124.585 0.400 A 94 LEU H H 1 8.460 0.020 A 94 LEU HA H 1 4.112 0.020 A 94 LEU HBy H 1 1.717 0.020 A 94 LEU HBx H 1 1.673 0.020 A 94 LEU HDx% H 1 0.896 0.020 A 94 LEU HDy% H 1 0.896 0.020 A 94 LEU HG H 1 1.662 0.020 A 94 LEU C C 13 180.513 0.400 A 94 LEU CA C 13 57.809 0.400 A 94 LEU CB C 13 42.733 0.400 A 94 LEU CDx C 13 25.020 0.400 A 94 LEU CDy C 13 25.020 0.400 A 94 LEU CG C 13 26.686 0.400 A 94 LEU N N 15 119.681 0.400 A 95 TYR H H 1 8.984 0.020 A 95 TYR HA H 1 3.895 0.020 A 95 TYR HBy H 1 3.400 0.020 A 95 TYR HBx H 1 2.995 0.020 A 95 TYR HDx H 1 6.995 0.020 A 95 TYR HDy H 1 6.995 0.020 A 95 TYR C C 13 177.733 0.400 A 95 TYR CA C 13 63.050 0.400 A 95 TYR CB C 13 39.611 0.400 A 95 TYR N N 15 118.980 0.400 A 96 GLU H H 1 8.580 0.020 A 96 GLU HA H 1 4.082 0.020 A 96 GLU HBy H 1 2.269 0.020 A 96 GLU HBx H 1 2.203 0.020 A 96 GLU HGx H 1 2.477 0.020 A 96 GLU HGy H 1 2.477 0.020 A 96 GLU C C 13 178.172 0.400 A 96 GLU CA C 13 60.189 0.400 A 96 GLU CB C 13 29.363 0.400 A 96 GLU CG C 13 35.952 0.400 A 96 GLU N N 15 122.219 0.400 A 97 ASP H H 1 7.721 0.020 A 97 ASP HA H 1 4.654 0.020 A 97 ASP HBy H 1 2.696 0.020 A 97 ASP HBx H 1 2.571 0.020 A 97 ASP C C 13 177.736 0.400 A 97 ASP CA C 13 55.804 0.400 A 97 ASP CB C 13 42.379 0.400 A 97 ASP N N 15 113.359 0.400 A 98 ASN H H 1 7.700 0.020 A 98 ASN HA H 1 4.949 0.020 A 98 ASN HBx H 1 2.530 0.020 A 98 ASN HBy H 1 2.530 0.020 A 98 ASN HD2x H 1 8.080 0.020 A 98 ASN C C 13 175.705 0.400 A 98 ASN CA C 13 53.454 0.400 A 98 ASN CB C 13 42.579 0.400 A 98 ASN N N 15 112.519 0.400 A 99 HIS H H 1 8.590 0.020 A 99 HIS HA H 1 4.267 0.020 A 99 HIS HBy H 1 2.291 0.020 A 99 HIS HBx H 1 1.975 0.020 A 99 HIS HD2 H 1 6.876 0.020 A 99 HIS C C 13 174.371 0.400 A 99 HIS CA C 13 57.130 0.400 A 99 HIS CB C 13 26.738 0.400 A 99 HIS CD2 C 13 126.443 0.400 A 99 HIS N N 15 120.401 0.400 A 100 GLU H H 1 8.805 0.020 A 100 GLU HA H 1 4.635 0.020 A 100 GLU HBx H 1 2.745 0.020 A 100 GLU HBy H 1 2.745 0.020 A 100 GLU HGy H 1 3.091 0.020 A 100 GLU HGx H 1 2.442 0.020 A 100 GLU C C 13 179.491 0.400 A 100 GLU CA C 13 56.784 0.400 A 100 GLU CB C 13 30.801 0.400 A 100 GLU CG C 13 37.827 0.400 A 100 GLU N N 15 120.810 0.400 A 101 GLU H H 1 7.270 0.020 A 101 GLU HA H 1 4.080 0.020 A 101 GLU HBy H 1 2.405 0.020 A 101 GLU HBx H 1 2.212 0.020 A 101 GLU HGx H 1 2.449 0.020 A 101 GLU HGy H 1 2.449 0.020 A 101 GLU CA C 13 59.250 0.400 A 101 GLU CB C 13 29.421 0.400 A 101 GLU CG C 13 37.420 0.400 A 102 ASP H H 1 7.775 0.020 A 102 ASP HA H 1 4.095 0.020 A 102 ASP HBy H 1 3.122 0.020 A 102 ASP HBx H 1 2.412 0.020 A 102 ASP C C 13 173.656 0.400 A 102 ASP CA C 13 53.307 0.400 A 102 ASP CB C 13 40.736 0.400 A 102 ASP N N 15 114.446 0.400 A 103 TYR H H 1 7.820 0.020 A 103 TYR HA H 1 3.457 0.020 A 103 TYR HBy H 1 3.342 0.020 A 103 TYR HBx H 1 2.804 0.020 A 103 TYR HDx H 1 6.916 0.020 A 103 TYR HDy H 1 6.916 0.020 A 103 TYR HEx H 1 6.808 0.020 A 103 TYR HEy H 1 6.808 0.020 A 103 TYR C C 13 175.426 0.400 A 103 TYR CA C 13 61.488 0.400 A 103 TYR CB C 13 34.035 0.400 A 103 TYR CDx C 13 132.388 0.400 A 103 TYR CEx C 13 118.261 0.400 A 103 TYR N N 15 102.492 0.400 A 104 PHE H H 1 8.660 0.020 A 104 PHE HA H 1 4.773 0.020 A 104 PHE HBy H 1 3.119 0.020 A 104 PHE HBx H 1 2.030 0.020 A 104 PHE HDx H 1 6.902 0.020 A 104 PHE HDy H 1 6.902 0.020 A 104 PHE CA C 13 59.725 0.400 A 104 PHE CB C 13 40.930 0.400 A 104 PHE N N 15 119.000 0.400 A 105 LEU H H 1 7.705 0.020 A 105 LEU HA H 1 4.710 0.020 A 105 LEU HBy H 1 2.123 0.020 A 105 LEU HBx H 1 1.422 0.020 A 105 LEU HDx% H 1 0.907 0.020 A 105 LEU HDy% H 1 0.866 0.020 A 105 LEU HG H 1 0.726 0.020 A 105 LEU C C 13 173.039 0.400 A 105 LEU CA C 13 53.208 0.400 A 105 LEU CB C 13 45.895 0.400 A 105 LEU CDy C 13 25.014 0.400 A 105 LEU CDx C 13 25.000 0.400 A 105 LEU CG C 13 26.258 0.400 A 105 LEU N N 15 121.191 0.400 A 106 TYR H H 1 8.888 0.020 A 106 TYR HA H 1 4.656 0.020 A 106 TYR HBx H 1 2.220 0.020 A 106 TYR HBy H 1 2.220 0.020 A 106 TYR HDx H 1 6.446 0.020 A 106 TYR HDy H 1 6.446 0.020 A 106 TYR HEx H 1 6.950 0.020 A 106 TYR HEy H 1 6.950 0.020 A 106 TYR C C 13 175.077 0.400 A 106 TYR CA C 13 58.154 0.400 A 106 TYR CB C 13 38.453 0.400 A 106 TYR CDy C 13 132.586 0.400 A 106 TYR CEy C 13 117.757 0.400 A 106 TYR N N 15 126.990 0.400 A 107 VAL H H 1 9.471 0.020 A 107 VAL HA H 1 4.709 0.020 A 107 VAL HB H 1 1.934 0.020 A 107 VAL HGx% H 1 0.572 0.020 A 107 VAL HGy% H 1 0.460 0.020 A 107 VAL C C 13 174.336 0.400 A 107 VAL CA C 13 60.964 0.400 A 107 VAL CB C 13 34.999 0.400 A 107 VAL CGx C 13 20.920 0.400 A 107 VAL CGy C 13 20.943 0.400 A 107 VAL N N 15 125.077 0.400 A 108 ALA H H 1 8.925 0.020 A 108 ALA HA H 1 6.301 0.020 A 108 ALA HB% H 1 1.184 0.020 A 108 ALA C C 13 177.898 0.400 A 108 ALA CA C 13 49.060 0.400 A 108 ALA CB C 13 21.869 0.400 A 108 ALA N N 15 128.400 0.400 A 109 TYR H H 1 8.291 0.020 A 109 TYR HA H 1 6.570 0.020 A 109 TYR HBy H 1 3.067 0.020 A 109 TYR HBx H 1 2.799 0.020 A 109 TYR HDx H 1 6.681 0.020 A 109 TYR HDy H 1 6.681 0.020 A 109 TYR HEx H 1 6.572 0.020 A 109 TYR HEy H 1 6.572 0.020 A 109 TYR C C 13 173.828 0.400 A 109 TYR CA C 13 55.136 0.400 A 109 TYR CB C 13 42.550 0.400 A 109 TYR CDy C 13 132.926 0.400 A 109 TYR CEy C 13 117.294 0.400 A 109 TYR N N 15 114.884 0.400 A 110 SER H H 1 9.215 0.020 A 110 SER HA H 1 4.670 0.020 A 110 SER HBy H 1 4.237 0.020 A 110 SER HBx H 1 3.920 0.020 A 110 SER C C 13 172.603 0.400 A 110 SER CA C 13 55.760 0.400 A 110 SER CB C 13 65.203 0.400 A 110 SER N N 15 111.800 0.400 A 111 ASP H H 1 9.425 0.020 A 111 ASP HA H 1 4.782 0.020 A 111 ASP HBy H 1 3.080 0.020 A 111 ASP HBx H 1 2.677 0.020 A 111 ASP C C 13 174.694 0.400 A 111 ASP CA C 13 54.202 0.400 A 111 ASP CB C 13 40.664 0.400 A 111 ASP N N 15 120.931 0.400 A 112 GLU H H 1 8.439 0.020 A 112 GLU HA H 1 4.644 0.020 A 112 GLU HBy H 1 2.049 0.020 A 112 GLU HBx H 1 1.870 0.020 A 112 GLU HGy H 1 2.263 0.020 A 112 GLU HGx H 1 2.191 0.020 A 112 GLU C C 13 174.851 0.400 A 112 GLU CA C 13 55.228 0.400 A 112 GLU CB C 13 33.223 0.400 A 112 GLU CG C 13 36.256 0.400 A 112 GLU N N 15 118.982 0.400 A 113 SER H H 1 8.028 0.020 A 113 SER HA H 1 3.727 0.020 A 113 SER HBy H 1 3.391 0.020 A 113 SER HBx H 1 2.384 0.020 A 113 SER C C 13 173.677 0.400 A 113 SER CA C 13 57.985 0.400 A 113 SER CB C 13 62.994 0.400 A 113 SER N N 15 113.014 0.400 A 114 VAL H H 1 7.195 0.020 A 114 VAL HA H 1 4.136 0.020 A 114 VAL HB H 1 1.871 0.020 A 114 VAL HGx% H 1 0.752 0.020 A 114 VAL HGy% H 1 0.710 0.020 A 114 VAL C C 13 173.923 0.400 A 114 VAL CA C 13 61.513 0.400 A 114 VAL CB C 13 33.845 0.400 A 114 VAL CGy C 13 21.076 0.400 A 114 VAL CGx C 13 20.098 0.400 A 114 VAL N N 15 119.245 0.400 A 115 TYR H H 1 7.604 0.020 A 115 TYR HA H 1 4.109 0.020 A 115 TYR HBy H 1 2.643 0.020 A 115 TYR HBx H 1 2.479 0.020 A 115 TYR HDx H 1 6.673 0.020 A 115 TYR HDy H 1 6.673 0.020 A 115 TYR HEx H 1 6.546 0.020 A 115 TYR HEy H 1 6.546 0.020 A 115 TYR C C 13 180.066 0.400 A 115 TYR CA C 13 59.235 0.400 A 115 TYR CB C 13 39.659 0.400 A 115 TYR CDx C 13 132.960 0.400 A 115 TYR CEx C 13 117.825 0.400 A 115 TYR N N 15 128.921 0.400 B 722 GLY H1 H 1 8.151 0.020 B 722 GLY HAx H 1 3.865 0.020 B 722 GLY HAy H 1 3.865 0.020 B 722 GLY CA C 13 43.380 0.400 B 722 GLY N N 15 110.746 0.400 B 723 ALA H H 1 8.480 0.020 B 723 ALA HA H 1 4.360 0.020 B 723 ALA HB% H 1 1.420 0.020 B 723 ALA CA C 13 52.630 0.400 B 723 ALA CB C 13 19.370 0.400 B 723 ALA N N 15 123.780 0.400 B 724 MET H H 1 8.582 0.020 B 724 MET HA H 1 4.500 0.020 B 724 MET HBy H 1 2.122 0.020 B 724 MET HBx H 1 2.048 0.020 B 724 MET HE% H 1 2.100 0.020 B 724 MET HGy H 1 2.644 0.020 B 724 MET HGx H 1 2.571 0.020 B 724 MET CA C 13 55.715 0.400 B 724 MET CB C 13 32.792 0.400 B 724 MET CE C 13 16.957 0.400 B 724 MET CG C 13 32.104 0.400 B 724 MET N N 15 119.958 0.400 B 725 GLY H H 1 8.467 0.020 B 725 GLY HAx H 1 4.010 0.020 B 725 GLY HAy H 1 4.010 0.020 B 725 GLY CA C 13 45.434 0.400 B 725 GLY N N 15 110.569 0.400 B 726 SER H H 1 8.262 0.020 B 726 SER HA H 1 4.494 0.020 B 726 SER HBx H 1 3.890 0.020 B 726 SER HBy H 1 3.890 0.020 B 726 SER CA C 13 55.726 0.400 B 726 SER CB C 13 64.050 0.400 B 726 SER N N 15 115.844 0.400 B 727 ALA H H 1 8.455 0.020 B 727 ALA HA H 1 4.409 0.020 B 727 ALA HB% H 1 1.420 0.020 B 727 ALA CA C 13 52.738 0.400 B 727 ALA CB C 13 19.392 0.400 B 727 ALA N N 15 125.990 0.400 B 728 SER H H 1 8.343 0.020 B 728 SER HA H 1 4.525 0.020 B 728 SER HBx H 1 3.903 0.020 B 728 SER HBy H 1 3.903 0.020 B 728 SER CA C 13 58.515 0.400 B 728 SER CB C 13 64.068 0.400 B 728 SER N N 15 115.135 0.400 B 729 SER H H 1 8.381 0.020 B 729 SER HA H 1 4.517 0.020 B 729 SER HBy H 1 3.956 0.020 B 729 SER HBx H 1 3.880 0.020 B 729 SER CA C 13 58.515 0.400 B 729 SER CB C 13 63.965 0.400 B 729 SER N N 15 117.803 0.400 B 730 GLU H H 1 8.464 0.020 B 730 GLU HA H 1 4.385 0.020 B 730 GLU HBy H 1 2.135 0.020 B 730 GLU HBx H 1 1.950 0.020 B 730 GLU HGx H 1 2.313 0.020 B 730 GLU HGy H 1 2.313 0.020 B 730 GLU CA C 13 56.303 0.400 B 730 GLU CB C 13 30.400 0.400 B 730 GLU CG C 13 36.377 0.400 B 730 GLU N N 15 122.487 0.400 B 731 ASP H H 1 8.323 0.020 B 731 ASP HA H 1 4.568 0.020 B 731 ASP HBx H 1 2.585 0.020 B 731 ASP HBy H 1 2.585 0.020 B 731 ASP CA C 13 54.292 0.400 B 731 ASP CB C 13 42.870 0.400 B 731 ASP N N 15 121.881 0.400 B 732 TYR H H 1 7.950 0.020 B 732 TYR HA H 1 4.175 0.020 B 732 TYR HBy H 1 2.633 0.020 B 732 TYR HBx H 1 2.575 0.020 B 732 TYR HDx H 1 6.850 0.020 B 732 TYR HDy H 1 6.850 0.020 B 732 TYR HEx H 1 6.750 0.020 B 732 TYR HEy H 1 6.750 0.020 B 732 TYR CA C 13 57.643 0.400 B 732 TYR CB C 13 41.077 0.400 B 732 TYR CDy C 13 133.500 0.400 B 732 TYR CEy C 13 118.330 0.400 B 732 TYR N N 15 116.705 0.400 B 733 ILE H H 1 8.320 0.020 B 733 ILE HA H 1 4.164 0.020 B 733 ILE HB H 1 1.626 0.020 B 733 ILE HD1% H 1 0.682 0.020 B 733 ILE HG1x H 1 1.140 0.020 B 733 ILE HG1y H 1 1.140 0.020 B 733 ILE HG2% H 1 0.836 0.020 B 733 ILE CA C 13 59.191 0.400 B 733 ILE CB C 13 42.458 0.400 B 733 ILE CD1 C 13 10.344 0.400 B 733 ILE CG1 C 13 26.327 0.400 B 733 ILE CG2 C 13 17.245 0.400 B 733 ILE N N 15 121.881 0.400 B 734 ILE H H 1 8.730 0.020 B 734 ILE HA H 1 4.196 0.020 B 734 ILE HB H 1 1.850 0.020 B 734 ILE HD1% H 1 0.691 0.020 B 734 ILE HG1y H 1 1.508 0.020 B 734 ILE HG1x H 1 0.865 0.020 B 734 ILE HG2% H 1 0.658 0.020 B 734 ILE CA C 13 61.036 0.400 B 734 ILE CB C 13 37.064 0.400 B 734 ILE CD1 C 13 12.591 0.400 B 734 ILE CG1 C 13 27.882 0.400 B 734 ILE CG2 C 13 17.215 0.400 B 734 ILE N N 15 129.590 0.400 B 735 ILE H H 1 7.830 0.020 B 735 ILE HA H 1 4.299 0.020 B 735 ILE HB H 1 2.143 0.020 B 735 ILE HD1% H 1 1.031 0.020 B 735 ILE HG1y H 1 1.796 0.020 B 735 ILE HG1x H 1 1.603 0.020 B 735 ILE HG2% H 1 1.000 0.020 B 735 ILE CA C 13 58.985 0.400 B 735 ILE CB C 13 37.686 0.400 B 735 ILE CD1 C 13 11.186 0.400 B 735 ILE CG1 C 13 27.728 0.400 B 735 ILE CG2 C 13 18.134 0.400 B 735 ILE N N 15 128.605 0.400 B 736 LEU H H 1 8.871 0.020 B 736 LEU HA H 1 4.610 0.020 B 736 LEU HBy H 1 1.741 0.020 B 736 LEU HBx H 1 1.571 0.020 B 736 LEU HDx% H 1 0.911 0.020 B 736 LEU HDy% H 1 0.954 0.020 B 736 LEU HG H 1 1.660 0.020 B 736 LEU CA C 13 53.260 0.400 B 736 LEU CB C 13 41.550 0.400 B 736 LEU CDx C 13 23.192 0.400 B 736 LEU CDy C 13 25.678 0.400 B 736 LEU CG C 13 27.078 0.400 B 736 LEU N N 15 128.733 0.400 B 737 PRO HA H 1 4.352 0.020 B 737 PRO HBy H 1 2.251 0.020 B 737 PRO HBx H 1 2.017 0.020 B 737 PRO HDx H 1 3.735 0.020 B 737 PRO HDy H 1 3.735 0.020 B 737 PRO CA C 13 63.289 0.400 B 737 PRO CB C 13 32.228 0.400 B 737 PRO CD C 13 50.545 0.400 B 738 GLU H H 1 8.622 0.020 B 738 GLU HA H 1 4.349 0.020 B 738 GLU HBy H 1 2.090 0.020 B 738 GLU HBx H 1 1.996 0.020 B 738 GLU HGx H 1 2.314 0.020 B 738 GLU HGy H 1 2.314 0.020 B 738 GLU CA C 13 56.634 0.400 B 738 GLU CB C 13 27.450 0.400 B 738 GLU CG C 13 36.377 0.400 B 738 GLU N N 15 121.020 0.400 B 739 SER H H 1 7.943 0.020 B 739 SER HA H 1 4.250 0.020 B 739 SER HBx H 1 3.850 0.020 B 739 SER HBy H 1 3.850 0.020 B 739 SER CA C 13 60.046 0.400 B 739 SER CB C 13 64.900 0.400 B 739 SER N N 15 122.100 0.400 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 0 GLU HA A 1 PHE H 1.0 . 3.32 2 2 A 0 GLU HA A 1 PHE HBx 1.0 . 5.71 3 2 A 0 GLU HA A 1 PHE HBy 1.0 . 5.71 4 3 A 1 PHE H A 2 LYS H 1.0 . 5.14 5 4 A 2 LYS H A 1 PHE HA 1.0 . 3.48 6 5 A 2 LYS H A 2 LYS HBy 1.0 . 3.96 7 6 A 2 LYS H A 2 LYS HGx 1.0 . 4.65 8 7 A 2 LYS HGx A 2 LYS HA 1.0 . 3.86 9 8 A 2 LYS HBx A 3 PHE H 1.0 . 4.29 10 9 A 3 PHE H A 3 PHE HBx 1.0 . 4.03 11 10 A 3 PHE HA A 34 GLU HBy 1.0 . 5.50 12 11 A 3 PHE HBy A 106 TYR HD% 1.0 . 7.80 13 12 A 3 PHE HBy A 106 TYR HE% 1.0 . 7.10 14 13 A 34 GLU HBy A 3 PHE HD% 1.0 . 7.04 15 14 A 3 PHE HD% A 34 GLU HBx 1.0 . 6.81 16 15 A 3 PHE HD% A 34 GLU HGx 1.0 . 7.61 17 15 A 3 PHE HD% A 34 GLU HGy 1.0 . 7.61 18 16 A 106 TYR HD% A 3 PHE HD% 1.0 . 8.87 19 17 A 3 PHE HD% A 108 ALA HB% 1.0 . 7.60 20 18 A 3 PHE HE% A 34 GLU H 1.0 . 7.40 21 19 A 106 TYR HD% A 3 PHE HE% 1.0 . 9.29 22 20 A 11 PHE HA A 12 GLU HA 1.0 . 5.53 23 21 A 11 PHE HA A 12 GLU HGx 1.0 . 6.10 24 21 A 11 PHE HA A 12 GLU HGy 1.0 . 6.10 25 22 A 11 PHE HBy A 12 GLU H 1.0 . 4.22 26 23 A 12 GLU H A 11 PHE HBx 1.0 . 3.83 27 24 A 12 GLU HA A 11 PHE HBx 1.0 . 5.24 28 25 A 11 PHE HBx A 12 GLU HBx 1.0 . 5.02 29 26 A 11 PHE HBx A 12 GLU HGx 1.0 . 5.70 30 26 A 12 GLU HGy A 11 PHE HBx 1.0 . 5.70 31 27 A 12 GLU H A 11 PHE HD% 1.0 . 6.54 32 28 A 12 GLU HA A 11 PHE HD% 1.0 . 6.53 33 29 A 12 GLU H A 12 GLU HBy 1.0 . 3.60 34 30 A 12 GLU H A 12 GLU HBx 1.0 . 4.03 35 31 A 12 GLU H A 12 GLU HGx 1.0 . 5.00 36 31 A 12 GLU HGy A 12 GLU H 1.0 . 5.00 37 32 A 12 GLU H A 13 TYR H 1.0 . 4.75 38 33 A 12 GLU HA A 13 TYR HA 1.0 . 5.04 39 34 A 12 GLU HA A 15 LYS HBy 1.0 . 4.13 40 35 A 12 GLU HA A 15 LYS HBx 1.0 . 4.62 41 36 A 12 GLU HBy A 13 TYR H 1.0 . 4.29 42 37 A 12 GLU HBy A 13 TYR HA 1.0 . 4.69 43 38 A 12 GLU HBy A 15 LYS H 1.0 . 5.90 44 39 A 13 TYR H A 12 GLU HGx 1.0 . 6.12 45 39 A 12 GLU HGy A 13 TYR H 1.0 . 6.12 46 40 A 13 TYR HBy A 12 GLU HGx 1.0 . 6.12 47 40 A 12 GLU HGy A 13 TYR HBy 1.0 . 6.12 48 41 A 13 TYR HBx A 12 GLU HGx 1.0 . 5.85 49 41 A 12 GLU HGy A 13 TYR HBx 1.0 . 5.85 50 42 A 13 TYR HD% A 12 GLU HGx 1.0 . 7.85 51 42 A 12 GLU HGy A 13 TYR HD% 1.0 . 7.85 52 43 A 13 TYR H A 13 TYR HBx 1.0 . 3.94 53 44 A 13 TYR H A 14 ARG H 1.0 . 4.35 54 45 A 13 TYR HA A 16 LYS H 1.0 . 4.97 55 46 A 13 TYR HA A 16 LYS HBx 1.0 . 5.11 56 46 A 13 TYR HA A 16 LYS HBy 1.0 . 5.11 57 47 A 13 TYR HA A 16 LYS HDx 1.0 . 5.67 58 47 A 13 TYR HA A 16 LYS HDy 1.0 . 5.67 59 48 A 13 TYR HBy A 14 ARG H 1.0 . 5.50 60 49 A 13 TYR HBx A 14 ARG H 1.0 . 5.14 61 50 A 13 TYR HD% A 14 ARG H 1.0 . 7.17 62 51 A 13 TYR HD% A 16 LYS H 1.0 . 6.72 63 52 A 15 LYS H A 14 ARG H 1.0 . 5.23 64 53 A 15 LYS H A 16 LYS H 1.0 . 4.20 65 54 A 15 LYS H A 102 ASP HBy 1.0 . 5.70 66 55 A 15 LYS H A 102 ASP HBx 1.0 . 5.19 67 56 A 15 LYS HA A 15 LYS HDy 1.0 . 4.78 68 57 A 15 LYS HA A 102 ASP HA 1.0 . 3.32 69 58 A 102 ASP HBy A 15 LYS HA 1.0 . 4.50 70 59 A 102 ASP HBx A 15 LYS HA 1.0 . 4.32 71 60 A 15 LYS HA A 104 PHE HD% 1.0 . 7.15 72 61 A 15 LYS HBy A 16 LYS H 1.0 . 4.71 73 62 A 15 LYS HBy A 102 ASP HA 1.0 . 3.98 74 63 A 15 LYS HBx A 15 LYS HDy 1.0 . 4.23 75 64 A 15 LYS HBx A 16 LYS H 1.0 . 4.42 76 65 A 15 LYS HBx A 16 LYS HA 1.0 . 4.71 77 66 A 15 LYS HBx A 16 LYS HGy 1.0 . 5.00 78 67 A 15 LYS HBx A 102 ASP HA 1.0 . 4.70 79 68 A 15 LYS HGx A 15 LYS HEy 1.0 . 3.36 80 69 A 16 LYS H A 15 LYS HDy 1.0 . 4.35 81 70 A 15 LYS HDy A 102 ASP HA 1.0 . 5.30 82 71 A 16 LYS H A 16 LYS HGx 1.0 . 4.14 83 72 A 16 LYS H A 16 LYS HGy 1.0 . 3.60 84 73 A 16 LYS H A 16 LYS HDx 1.0 . 5.84 85 73 A 16 LYS H A 16 LYS HDy 1.0 . 5.84 86 74 A 16 LYS H A 17 GLU H 1.0 . 3.63 87 75 A 16 LYS HA A 16 LYS HGx 1.0 . 3.93 88 76 A 16 LYS HA A 16 LYS HGy 1.0 . 4.25 89 77 A 16 LYS HA A 16 LYS HDx 1.0 . 4.77 90 77 A 16 LYS HDy A 16 LYS HA 1.0 . 4.77 91 78 A 17 GLU H A 16 LYS HBx 1.0 . 5.06 92 78 A 16 LYS HBy A 17 GLU H 1.0 . 5.06 93 79 A 17 GLU H A 17 GLU HBy 1.0 . 3.85 94 80 A 17 GLU H A 18 GLY H 1.0 . 4.53 95 81 A 17 GLU HA A 17 GLU HGx 1.0 . 3.65 96 82 A 17 GLU HBy A 18 GLY H 1.0 . 4.32 97 83 A 18 GLY H A 19 GLU H 1.0 . 4.48 98 84 A 18 GLY H A 103 TYR HD% 1.0 . 7.32 99 85 A 18 GLY HAy A 103 TYR HBy 1.0 . 4.31 100 86 A 18 GLY HAy A 103 TYR HBx 1.0 . 4.74 101 87 A 18 GLY HAx A 19 GLU HA 1.0 . 4.49 102 88 A 103 TYR HBy A 18 GLY HAx 1.0 . 4.57 103 89 A 103 TYR HBx A 18 GLY HAx 1.0 . 5.05 104 90 A 103 TYR HD% A 18 GLY HAx 1.0 . 7.05 105 91 A 19 GLU H A 19 GLU HGy 1.0 . 4.72 106 92 A 19 GLU H A 20 LYS H 1.0 . 4.12 107 93 A 19 GLU HA A 19 GLU HGy 1.0 . 4.23 108 94 A 103 TYR HD% A 19 GLU HA 1.0 . 6.32 109 95 A 19 GLU HA A 103 TYR HE% 1.0 . 6.83 110 96 A 103 TYR HD% A 19 GLU HBy 1.0 . 6.97 111 97 A 103 TYR HE% A 19 GLU HBy 1.0 . 6.45 112 98 A 20 LYS H A 19 GLU HBx 1.0 . 4.20 113 99 A 19 GLU HGy A 20 LYS HA 1.0 . 3.44 114 100 A 103 TYR HD% A 19 GLU HGy 1.0 . 7.20 115 101 A 19 GLU HGy A 103 TYR HE% 1.0 . 7.10 116 102 A 20 LYS H A 20 LYS HBy 1.0 . 3.56 117 103 A 20 LYS HBx B 730 GLU HBy 1.0 . 5.28 118 104 A 20 LYS HBx B 730 GLU HBx 1.0 . 5.60 119 105 A 21 ILE HB A 24 LYS HBx 1.0 . 5.90 120 106 A 21 ILE HG2% A 25 TYR HD% 1.0 . 8.10 121 107 A 21 ILE HG2% A 30 PRO HDy 1.0 . 5.33 122 108 A 21 ILE HG2% A 50 LEU HDx% 1.0 . 6.57 123 109 A 21 ILE HG2% B 730 GLU H 1.0 . 7.10 124 110 A 21 ILE HG2% B 730 GLU HGx 1.0 . 7.80 125 110 A 21 ILE HG2% B 730 GLU HGy 1.0 . 7.80 126 111 A 50 LEU HDx% A 21 ILE HG1y 1.0 . 5.60 127 112 B 730 GLU HBy A 21 ILE HG1y 1.0 . 5.50 128 113 B 730 GLU HBx A 21 ILE HG1y 1.0 . 5.50 129 114 A 24 LYS HBx A 21 ILE HD1% 1.0 . 4.70 130 115 A 25 TYR HD% A 21 ILE HD1% 1.0 . 7.33 131 116 A 21 ILE HD1% A 25 TYR HE% 1.0 . 7.43 132 117 A 50 LEU HDx% A 21 ILE HD1% 1.0 . 6.34 133 118 A 21 ILE HD1% B 729 SER HBy 1.0 . 4.82 134 119 A 21 ILE HD1% B 729 SER HBx 1.0 . 6.33 135 120 B 730 GLU H A 21 ILE HD1% 1.0 . 6.30 136 121 B 730 GLU HBy A 21 ILE HD1% 1.0 . 6.60 137 122 B 730 GLU HBx A 21 ILE HD1% 1.0 . 6.60 138 123 A 21 ILE HD1% B 730 GLU HGx 1.0 . 6.80 139 123 B 730 GLU HGy A 21 ILE HD1% 1.0 . 6.80 140 124 A 21 ILE HD1% B 732 TYR HD% 1.0 . 7.65 141 125 A 22 ARG HA A 22 ARG HDy 1.0 . 3.79 142 126 A 103 TYR HE% A 22 ARG HA 1.0 . 7.10 143 127 A 103 TYR HD% A 22 ARG HBx 1.0 . 6.85 144 128 A 103 TYR HE% A 22 ARG HBx 1.0 . 6.36 145 129 A 103 TYR HBx A 22 ARG HGx 1.0 . 5.12 146 129 A 103 TYR HBx A 22 ARG HGy 1.0 . 5.12 147 130 A 103 TYR HD% A 22 ARG HGx 1.0 . 7.58 148 130 A 103 TYR HD% A 22 ARG HGy 1.0 . 7.58 149 131 A 103 TYR HE% A 22 ARG HGx 1.0 . 7.23 150 131 A 103 TYR HE% A 22 ARG HGy 1.0 . 7.23 151 132 A 22 ARG HDy A 23 LYS HA 1.0 . 4.51 152 133 A 103 TYR HE% A 22 ARG HDx 1.0 . 5.88 153 134 A 23 LYS H A 23 LYS HBy 1.0 . 3.47 154 135 A 23 LYS H A 24 LYS H 1.0 . 3.76 155 136 A 23 LYS HA A 26 PRO HA 1.0 . 5.50 156 137 A 23 LYS HA A 26 PRO HBy 1.0 . 5.92 157 138 A 23 LYS HBy A 24 LYS H 1.0 . 3.75 158 139 A 23 LYS HBy A 24 LYS HA 1.0 . 5.50 159 140 A 24 LYS H A 23 LYS HGy 1.0 . 5.13 160 141 A 103 TYR HE% A 23 LYS HGy 1.0 . 7.31 161 142 A 23 LYS HGx A 23 LYS HDy 1.0 . 2.40 162 143 A 103 TYR HE% A 23 LYS HGx 1.0 . 7.20 163 144 A 103 TYR HE% A 23 LYS HEx 1.0 . 8.18 164 144 A 103 TYR HE% A 23 LYS HEy 1.0 . 8.18 165 145 A 24 LYS H A 24 LYS HBy 1.0 . 3.59 166 146 A 24 LYS HBx A 24 LYS H 1.0 . 3.73 167 147 A 24 LYS H A 24 LYS HGy 1.0 . 4.78 168 148 A 24 LYS H A 24 LYS HGx 1.0 . 5.01 169 149 A 24 LYS H A 24 LYS HDx 1.0 . 5.50 170 150 A 24 LYS HA A 24 LYS HGy 1.0 . 3.91 171 151 A 24 LYS HA A 24 LYS HDy 1.0 . 3.89 172 152 A 24 LYS HA A 24 LYS HDx 1.0 . 5.06 173 153 A 25 TYR HD% A 24 LYS HBy 1.0 . 6.64 174 154 A 25 TYR HE% A 24 LYS HBy 1.0 . 6.87 175 155 B 729 SER HBy A 24 LYS HBy 1.0 . 4.56 176 156 A 24 LYS HBx A 25 TYR HD% 1.0 . 6.27 177 157 A 24 LYS HBx A 25 TYR HE% 1.0 . 7.42 178 158 A 24 LYS HBx B 729 SER HBy 1.0 . 4.63 179 159 A 25 TYR HD% A 24 LYS HGy 1.0 . 6.74 180 160 A 25 TYR HE% A 24 LYS HGy 1.0 . 6.65 181 161 A 25 TYR HD% A 24 LYS HGx 1.0 . 7.50 182 162 A 25 TYR HE% A 24 LYS HGx 1.0 . 6.65 183 163 A 24 LYS HDy B 729 SER H 1.0 . 5.60 184 164 A 25 TYR HD% A 24 LYS HDx 1.0 . 6.89 185 165 A 25 TYR HE% A 24 LYS HDx 1.0 . 5.99 186 166 A 25 TYR HE% A 24 LYS HEx 1.0 . 7.30 187 166 A 25 TYR HE% A 24 LYS HEy 1.0 . 7.30 188 167 A 25 TYR H A 26 PRO HDx 1.0 . 4.91 189 168 A 25 TYR HA A 26 PRO HDy 1.0 . 3.47 190 169 A 26 PRO HDx A 25 TYR HA 1.0 . 3.80 191 170 A 25 TYR HA A 27 ASP H 1.0 . 4.70 192 171 A 25 TYR HBy A 28 ARG H 1.0 . 4.77 193 172 A 28 ARG H A 25 TYR HBx 1.0 . 4.39 194 173 A 25 TYR HD% A 50 LEU HDx% 1.0 . 7.95 195 174 A 25 TYR HD% B 729 SER HBy 1.0 . 6.93 196 175 A 25 TYR HD% B 734 ILE HG1x 1.0 . 6.90 197 176 A 50 LEU HDx% A 25 TYR HE% 1.0 . 7.95 198 177 A 25 TYR HE% B 729 SER HBy 1.0 . 7.08 199 178 A 25 TYR HE% B 734 ILE HG1x 1.0 . 6.60 200 179 A 25 TYR HE% B 734 ILE HD1% 1.0 . 6.95 201 180 A 26 PRO HA A 27 ASP HA 1.0 . 4.80 202 181 A 26 PRO HA A 28 ARG H 1.0 . 4.67 203 182 A 27 ASP H A 26 PRO HGx 1.0 . 4.68 204 182 A 27 ASP H A 26 PRO HGy 1.0 . 4.68 205 183 A 26 PRO HDy A 27 ASP H 1.0 . 4.16 206 184 A 26 PRO HDy A 28 ARG H 1.0 . 5.02 207 185 A 26 PRO HDx A 27 ASP H 1.0 . 4.68 208 186 A 27 ASP H A 27 ASP HBy 1.0 . 3.96 209 187 A 27 ASP H A 27 ASP HBx 1.0 . 3.85 210 188 A 27 ASP H A 28 ARG H 1.0 . 3.43 211 189 A 28 ARG H A 28 ARG HBy 1.0 . 3.98 212 190 A 28 ARG H A 28 ARG HBx 1.0 . 4.13 213 191 A 28 ARG H A 29 VAL H 1.0 . 5.18 214 192 A 28 ARG HBx A 29 VAL H 1.0 . 4.90 215 193 A 30 PRO HDy A 29 VAL HA 1.0 . 3.62 216 194 A 29 VAL HB A 30 PRO HDx 1.0 . 4.58 217 195 A 29 VAL HB A 95 TYR HBy 1.0 . 5.32 218 196 A 29 VAL HB A 95 TYR HBx 1.0 . 5.31 219 197 A 29 VAL HGx% A 91 MET HBy 1.0 . 6.26 220 198 A 29 VAL HGx% A 91 MET HE% 1.0 . 6.60 221 199 A 29 VAL HGx% A 92 GLY HAy 1.0 . 5.75 222 200 A 29 VAL HGx% A 92 GLY HAx 1.0 . 5.90 223 201 A 29 VAL HGx% A 95 TYR H 1.0 . 6.50 224 202 A 95 TYR HBy A 29 VAL HGx% 1.0 . 5.03 225 203 A 95 TYR HBx A 29 VAL HGx% 1.0 . 5.35 226 204 A 29 VAL HGx% A 95 TYR HD% 1.0 . 7.49 227 205 A 30 PRO HA A 31 VAL HGy% 1.0 . 5.80 228 206 A 30 PRO HA A 50 LEU HA 1.0 . 4.02 229 207 A 30 PRO HA A 50 LEU HBx 1.0 . 5.23 230 208 A 50 LEU HDx% A 30 PRO HA 1.0 . 5.57 231 209 A 50 LEU HDx% A 30 PRO HBy 1.0 . 6.60 232 210 A 30 PRO HBx A 50 LEU HG 1.0 . 4.37 233 211 A 50 LEU HDx% A 30 PRO HBx 1.0 . 5.60 234 212 A 30 PRO HBx B 732 TYR HE% 1.0 . 6.76 235 213 A 30 PRO HGy A 104 PHE HA 1.0 . 4.74 236 214 A 30 PRO HGy A 105 LEU H 1.0 . 5.24 237 215 A 31 VAL H A 49 TYR HBx 1.0 . 4.41 238 216 A 50 LEU HA A 31 VAL H 1.0 . 4.57 239 217 A 31 VAL HA A 32 ILE H 1.0 . 3.33 240 218 A 91 MET HE% A 31 VAL HA 1.0 . 5.90 241 219 A 105 LEU H A 31 VAL HA 1.0 . 4.73 242 220 A 31 VAL HA A 105 LEU HBy 1.0 . 4.43 243 221 A 31 VAL HA A 105 LEU HBx 1.0 . 4.59 244 222 A 31 VAL HA A 107 VAL HGx% 1.0 . 6.02 245 223 A 32 ILE H A 31 VAL HB 1.0 . 4.95 246 224 A 31 VAL HB A 49 TYR H 1.0 . 5.20 247 225 A 49 TYR HBx A 31 VAL HB 1.0 . 4.24 248 226 A 31 VAL HB A 49 TYR HD% 1.0 . 7.70 249 227 A 91 MET HE% A 31 VAL HB 1.0 . 5.19 250 228 A 32 ILE H A 31 VAL HGx% 1.0 . 4.70 251 229 A 31 VAL HGx% A 32 ILE HB 1.0 . 5.90 252 230 A 31 VAL HGx% A 33 VAL HA 1.0 . 6.36 253 231 A 31 VAL HGx% A 49 TYR HBy 1.0 . 5.61 254 232 A 49 TYR HD% A 31 VAL HGx% 1.0 . 7.73 255 233 A 31 VAL HGx% A 60 PHE HE% 1.0 . 7.47 256 234 A 31 VAL HGx% A 60 PHE HZ 1.0 . 5.90 257 235 A 91 MET HE% A 31 VAL HGx% 1.0 . 4.60 258 236 A 105 LEU H A 31 VAL HGx% 1.0 . 6.36 259 237 A 105 LEU HBy A 31 VAL HGx% 1.0 . 5.30 260 238 A 105 LEU HBx A 31 VAL HGx% 1.0 . 4.93 261 239 A 31 VAL HGx% A 106 TYR HA 1.0 . 5.71 262 240 A 31 VAL HGx% A 107 VAL H 1.0 . 5.89 263 241 A 31 VAL HGy% A 32 ILE H 1.0 . 5.71 264 242 A 31 VAL HGy% A 49 TYR HBx 1.0 . 5.73 265 243 A 31 VAL HGy% A 49 TYR HD% 1.0 . 7.90 266 244 A 31 VAL HGy% A 50 LEU HA 1.0 . 5.52 267 245 A 31 VAL HGy% A 91 MET HBx 1.0 . 5.04 268 246 A 31 VAL HGy% A 91 MET HGx 1.0 . 5.77 269 247 A 91 MET HE% A 31 VAL HGy% 1.0 . 4.07 270 248 A 31 VAL HGy% A 105 LEU H 1.0 . 6.27 271 249 A 31 VAL HGy% A 105 LEU HBy 1.0 . 5.20 272 250 A 32 ILE H A 32 ILE HB 1.0 . 3.80 273 251 A 32 ILE H A 32 ILE HG1x 1.0 . 5.62 274 251 A 32 ILE H A 32 ILE HG1y 1.0 . 5.62 275 252 A 32 ILE H A 32 ILE HD1% 1.0 . 6.13 276 253 A 32 ILE H A 33 VAL H 1.0 . 4.68 277 254 A 104 PHE HD% A 32 ILE H 1.0 . 7.27 278 255 A 105 LEU H A 32 ILE H 1.0 . 5.20 279 256 A 32 ILE H A 105 LEU HBy 1.0 . 5.20 280 257 A 32 ILE H A 106 TYR HA 1.0 . 4.16 281 258 A 32 ILE H A 107 VAL H 1.0 . 4.39 282 259 A 32 ILE H A 107 VAL HGx% 1.0 . 5.68 283 260 A 32 ILE HD1% A 32 ILE HA 1.0 . 4.79 284 261 A 32 ILE HA A 33 VAL HB 1.0 . 4.92 285 262 A 32 ILE HA A 33 VAL HGy% 1.0 . 5.38 286 263 A 32 ILE HB A 106 TYR HA 1.0 . 4.19 287 264 A 106 TYR HD% A 32 ILE HB 1.0 . 6.47 288 265 A 32 ILE HB A 107 VAL H 1.0 . 4.43 289 266 A 107 VAL HGx% A 32 ILE HB 1.0 . 6.60 290 267 A 33 VAL H A 32 ILE HG2% 1.0 . 5.40 291 268 A 33 VAL HA A 32 ILE HG2% 1.0 . 6.38 292 269 A 34 GLU HBx A 32 ILE HG2% 1.0 . 5.90 293 270 A 32 ILE HG2% A 34 GLU HGx 1.0 . 5.86 294 270 A 34 GLU HGy A 32 ILE HG2% 1.0 . 5.86 295 271 A 106 TYR HD% A 32 ILE HG2% 1.0 . 7.65 296 272 A 107 VAL H A 32 ILE HG2% 1.0 . 5.39 297 273 A 48 LYS HA A 32 ILE HG1x 1.0 . 5.56 298 273 A 32 ILE HG1y A 48 LYS HA 1.0 . 5.56 299 274 A 105 LEU H A 32 ILE HG1x 1.0 . 6.60 300 274 A 105 LEU H A 32 ILE HG1y 1.0 . 6.60 301 275 B 732 TYR HE% A 32 ILE HG1x 1.0 . 7.25 302 275 B 732 TYR HE% A 32 ILE HG1y 1.0 . 7.25 303 276 A 32 ILE HD1% A 33 VAL H 1.0 . 6.30 304 277 A 32 ILE HD1% A 48 LYS HA 1.0 . 5.67 305 278 A 32 ILE HD1% A 48 LYS HBx 1.0 . 5.60 306 279 A 49 TYR H A 32 ILE HD1% 1.0 . 6.40 307 280 A 104 PHE HA A 32 ILE HD1% 1.0 . 5.94 308 281 A 32 ILE HD1% A 104 PHE HBx 1.0 . 5.58 309 282 A 104 PHE HD% A 32 ILE HD1% 1.0 . 7.90 310 283 A 49 TYR HD% A 33 VAL H 1.0 . 6.90 311 284 A 34 GLU H A 33 VAL HA 1.0 . 3.46 312 285 A 33 VAL HA A 34 GLU HA 1.0 . 4.90 313 286 A 33 VAL HA A 107 VAL H 1.0 . 4.51 314 287 A 33 VAL HA A 107 VAL HB 1.0 . 5.20 315 288 A 33 VAL HA A 107 VAL HGy% 1.0 . 6.14 316 289 A 33 VAL HA A 108 ALA HA 1.0 . 5.12 317 290 A 49 TYR HD% A 33 VAL HB 1.0 . 6.69 318 291 A 33 VAL HB A 49 TYR HE% 1.0 . 6.25 319 292 A 34 GLU H A 33 VAL HGx% 1.0 . 5.02 320 293 A 33 VAL HGx% A 64 ILE HD1% 1.0 . 6.30 321 294 A 108 ALA HA A 33 VAL HGx% 1.0 . 6.00 322 295 A 33 VAL HGx% A 109 TYR H 1.0 . 5.78 323 296 A 33 VAL HGx% A 109 TYR HD% 1.0 . 6.64 324 297 A 33 VAL HGx% A 109 TYR HE% 1.0 . 6.58 325 298 A 49 TYR HD% A 33 VAL HGy% 1.0 . 6.68 326 299 A 33 VAL HGy% A 49 TYR HE% 1.0 . 6.86 327 300 A 60 PHE HE% A 33 VAL HGy% 1.0 . 7.02 328 301 A 60 PHE HZ A 33 VAL HGy% 1.0 . 4.79 329 302 A 33 VAL HGy% A 64 ILE HD1% 1.0 . 6.17 330 303 A 107 VAL H A 33 VAL HGy% 1.0 . 6.10 331 304 A 33 VAL HGy% A 107 VAL HB 1.0 . 6.60 332 305 A 34 GLU H A 34 GLU HGx 1.0 . 5.56 333 305 A 34 GLU HGy A 34 GLU H 1.0 . 5.56 334 306 A 34 GLU H A 108 ALA HA 1.0 . 4.08 335 307 A 108 ALA HB% A 34 GLU H 1.0 . 5.55 336 308 A 34 GLU H A 109 TYR H 1.0 . 5.23 337 309 A 34 GLU H A 109 TYR HD% 1.0 . 7.38 338 310 A 34 GLU HA A 35 LYS H 1.0 . 3.54 339 311 A 34 GLU HA A 109 TYR HE% 1.0 . 6.61 340 312 A 34 GLU HBy A 35 LYS H 1.0 . 4.20 341 313 A 34 GLU HBx A 35 LYS H 1.0 . 4.59 342 314 A 34 GLU HBx A 108 ALA HA 1.0 . 4.98 343 315 A 34 GLU HBx A 108 ALA HB% 1.0 . 5.65 344 316 A 35 LYS H A 34 GLU HGx 1.0 . 5.33 345 316 A 34 GLU HGy A 35 LYS H 1.0 . 5.33 346 317 A 35 LYS H A 35 LYS HBx 1.0 . 3.41 347 318 A 35 LYS H A 35 LYS HDx 1.0 . 6.00 348 319 A 109 TYR HE% A 35 LYS H 1.0 . 6.65 349 320 A 35 LYS HDx A 35 LYS HA 1.0 . 4.33 350 321 A 35 LYS HA A 36 ALA H 1.0 . 3.38 351 322 A 35 LYS HA A 36 ALA HA 1.0 . 5.30 352 323 A 35 LYS HA A 36 ALA HB% 1.0 . 5.59 353 324 A 108 ALA HA A 35 LYS HA 1.0 . 4.80 354 325 A 109 TYR H A 35 LYS HA 1.0 . 3.92 355 326 A 109 TYR HD% A 35 LYS HA 1.0 . 7.15 356 327 A 109 TYR HE% A 35 LYS HA 1.0 . 6.60 357 328 A 35 LYS HBx A 35 LYS HDx 1.0 . 3.91 358 329 A 35 LYS HBx A 35 LYS HEy 1.0 . 3.60 359 330 A 109 TYR HE% A 35 LYS HBx 1.0 . 6.31 360 331 A 36 ALA H A 35 LYS HGx 1.0 . 4.81 361 331 A 36 ALA H A 35 LYS HGy 1.0 . 4.81 362 332 A 109 TYR HE% A 35 LYS HGx 1.0 . 7.39 363 332 A 109 TYR HE% A 35 LYS HGy 1.0 . 7.39 364 333 A 36 ALA HB% A 35 LYS HDy 1.0 . 5.90 365 334 A 35 LYS HDy A 39 ALA HB% 1.0 . 5.10 366 335 A 35 LYS HDx A 36 ALA H 1.0 . 4.47 367 336 A 35 LYS HDx A 36 ALA HB% 1.0 . 5.90 368 337 A 35 LYS HEx A 39 ALA H 1.0 . 4.52 369 338 A 39 ALA HB% A 35 LYS HEx 1.0 . 5.12 370 339 A 36 ALA H A 37 PRO HDy 1.0 . 5.33 371 340 A 36 ALA H A 39 ALA HB% 1.0 . 5.47 372 341 A 109 TYR H A 36 ALA H 1.0 . 4.10 373 342 A 109 TYR HD% A 36 ALA H 1.0 . 7.19 374 343 A 109 TYR HE% A 36 ALA H 1.0 . 7.25 375 344 A 36 ALA HA A 37 PRO HGy 1.0 . 4.45 376 345 A 36 ALA HA A 37 PRO HDy 1.0 . 3.47 377 346 A 36 ALA HA A 37 PRO HDx 1.0 . 3.72 378 347 A 108 ALA HB% A 36 ALA HA 1.0 . 5.56 379 348 A 36 ALA HB% A 37 PRO HGy 1.0 . 5.90 380 349 A 36 ALA HB% A 39 ALA H 1.0 . 6.90 381 350 A 36 ALA HB% A 39 ALA HB% 1.0 . 5.53 382 351 A 36 ALA HB% A 109 TYR HA 1.0 . 5.84 383 352 A 36 ALA HB% A 110 SER H 1.0 . 5.90 384 353 A 36 ALA HB% A 110 SER HA 1.0 . 5.32 385 354 A 36 ALA HB% A 110 SER HBy 1.0 . 5.45 386 355 A 36 ALA HB% A 110 SER HBx 1.0 . 4.94 387 356 A 39 ALA H A 37 PRO HA 1.0 . 5.10 388 357 A 37 PRO HBx A 38 LYS H 1.0 . 3.83 389 358 A 37 PRO HBx A 38 LYS HGx 1.0 . 6.00 390 358 A 37 PRO HBx A 38 LYS HGy 1.0 . 6.00 391 359 A 37 PRO HBx A 38 LYS HEx 1.0 . 5.90 392 359 A 37 PRO HBx A 38 LYS HEy 1.0 . 5.90 393 360 A 37 PRO HGx A 115 TYR HE% 1.0 . 7.40 394 361 A 37 PRO HGy A 115 TYR HD% 1.0 . 6.85 395 362 A 37 PRO HGy A 115 TYR HE% 1.0 . 7.30 396 363 A 37 PRO HDx A 115 TYR HD% 1.0 . 7.01 397 364 A 37 PRO HDx A 115 TYR HE% 1.0 . 7.30 398 365 A 38 LYS H A 38 LYS HGx 1.0 . 5.22 399 365 A 38 LYS H A 38 LYS HGy 1.0 . 5.22 400 366 A 39 ALA H A 38 LYS H 1.0 . 3.80 401 367 A 38 LYS HA A 38 LYS HDx 1.0 . 5.39 402 367 A 38 LYS HA A 38 LYS HDy 1.0 . 5.39 403 368 A 38 LYS HBy A 38 LYS HEx 1.0 . 4.80 404 368 A 38 LYS HEy A 38 LYS HBy 1.0 . 4.80 405 369 A 39 ALA H A 38 LYS HBy 1.0 . 4.60 406 370 A 39 ALA H A 40 ARG H 1.0 . 5.04 407 371 A 39 ALA H A 41 VAL HGy% 1.0 . 6.90 408 372 A 40 ARG H A 39 ALA HA 1.0 . 3.07 409 373 A 41 VAL HGy% A 39 ALA HA 1.0 . 5.60 410 374 A 39 ALA HB% A 41 VAL H 1.0 . 4.74 411 375 A 39 ALA HB% A 41 VAL HGy% 1.0 . 5.39 412 376 A 109 TYR HD% A 39 ALA HB% 1.0 . 8.31 413 377 A 109 TYR HE% A 39 ALA HB% 1.0 . 8.22 414 378 A 39 ALA HB% A 110 SER H 1.0 . 6.41 415 379 A 39 ALA HB% A 110 SER HA 1.0 . 4.62 416 380 A 39 ALA HB% A 110 SER HBy 1.0 . 5.46 417 381 A 39 ALA HB% A 110 SER HBx 1.0 . 5.74 418 382 A 39 ALA HB% A 111 ASP H 1.0 . 4.91 419 383 A 39 ALA HB% A 111 ASP HBx 1.0 . 6.18 420 384 A 39 ALA HB% A 112 GLU H 1.0 . 6.10 421 385 A 40 ARG H A 40 ARG HBx 1.0 . 3.49 422 386 A 40 ARG H A 40 ARG HGx 1.0 . 4.90 423 387 A 40 ARG H A 40 ARG HDy 1.0 . 4.95 424 388 A 40 ARG H A 41 VAL H 1.0 . 3.87 425 389 A 40 ARG H A 41 VAL HGx% 1.0 . 6.02 426 390 A 40 ARG H A 41 VAL HGy% 1.0 . 5.78 427 391 A 40 ARG H A 111 ASP H 1.0 . 4.50 428 392 A 40 ARG H A 112 GLU H 1.0 . 5.04 429 393 A 40 ARG HGx A 40 ARG HA 1.0 . 3.80 430 394 A 40 ARG HDy A 40 ARG HA 1.0 . 4.47 431 395 A 40 ARG HA A 40 ARG HDx 1.0 . 4.60 432 396 A 41 VAL H A 40 ARG HA 1.0 . 3.43 433 397 A 40 ARG HDx A 40 ARG HBy 1.0 . 4.24 434 398 A 40 ARG HBx A 40 ARG HDy 1.0 . 4.03 435 399 A 41 VAL H A 40 ARG HBx 1.0 . 4.60 436 400 A 111 ASP H A 40 ARG HBx 1.0 . 5.90 437 401 A 40 ARG HDy A 41 VAL HA 1.0 . 4.60 438 402 A 40 ARG HDx A 41 VAL HA 1.0 . 5.80 439 403 A 41 VAL HGy% A 41 VAL H 1.0 . 4.45 440 404 A 41 VAL H A 42 PRO HDy 1.0 . 5.17 441 405 A 109 TYR HD% A 41 VAL H 1.0 . 7.90 442 406 A 109 TYR HE% A 41 VAL H 1.0 . 7.30 443 407 A 41 VAL H A 111 ASP HBy 1.0 . 4.83 444 408 A 41 VAL HA A 42 PRO HDy 1.0 . 3.41 445 409 A 41 VAL HA A 42 PRO HDx 1.0 . 3.60 446 410 A 41 VAL HA A 68 ILE HG2% 1.0 . 7.10 447 411 A 41 VAL HA A 68 ILE HD1% 1.0 . 6.20 448 412 A 41 VAL HA A 70 LEU HDy% 1.0 . 5.90 449 413 A 42 PRO HDy A 41 VAL HB 1.0 . 4.20 450 414 A 42 PRO HDx A 41 VAL HB 1.0 . 3.91 451 415 A 68 ILE HD1% A 41 VAL HB 1.0 . 5.35 452 416 A 70 LEU HDy% A 41 VAL HB 1.0 . 5.27 453 417 A 109 TYR HE% A 41 VAL HB 1.0 . 6.30 454 418 A 41 VAL HGx% A 68 ILE HG2% 1.0 . 7.10 455 419 A 41 VAL HGx% A 70 LEU HDx% 1.0 . 6.90 456 420 A 41 VAL HGx% A 70 LEU HDy% 1.0 . 5.43 457 421 A 109 TYR HE% A 41 VAL HGx% 1.0 . 7.80 458 422 A 111 ASP H A 41 VAL HGx% 1.0 . 5.76 459 423 A 41 VAL HGx% A 111 ASP HBy 1.0 . 5.68 460 424 A 111 ASP HBx A 41 VAL HGx% 1.0 . 5.17 461 425 A 41 VAL HGy% A 42 PRO HDy 1.0 . 5.70 462 426 A 41 VAL HGy% A 42 PRO HDx 1.0 . 5.54 463 427 A 41 VAL HGy% A 68 ILE HG2% 1.0 . 6.90 464 428 A 41 VAL HGy% A 68 ILE HD1% 1.0 . 6.16 465 429 A 109 TYR HE% A 41 VAL HGy% 1.0 . 6.53 466 430 A 41 VAL HGy% A 111 ASP H 1.0 . 5.65 467 431 A 41 VAL HGy% A 111 ASP HA 1.0 . 5.30 468 432 A 41 VAL HGy% A 111 ASP HBy 1.0 . 5.24 469 433 A 41 VAL HGy% A 111 ASP HBx 1.0 . 5.90 470 434 A 42 PRO HA A 43 ASP H 1.0 . 3.09 471 435 A 42 PRO HA A 43 ASP HA 1.0 . 4.32 472 436 A 43 ASP H A 42 PRO HBy 1.0 . 3.26 473 437 A 68 ILE HG2% A 42 PRO HBy 1.0 . 5.63 474 438 A 43 ASP H A 42 PRO HBx 1.0 . 4.26 475 439 A 43 ASP H A 42 PRO HGy 1.0 . 5.20 476 440 A 68 ILE HG2% A 42 PRO HGy 1.0 . 5.61 477 441 A 42 PRO HGy A 69 HIS HD2 1.0 . 5.20 478 442 A 42 PRO HDy A 68 ILE HD1% 1.0 . 6.00 479 443 A 42 PRO HDy A 70 LEU HDy% 1.0 . 5.44 480 444 A 42 PRO HDx A 68 ILE HB 1.0 . 4.90 481 445 A 42 PRO HDx A 68 ILE HG2% 1.0 . 6.10 482 446 A 42 PRO HDx A 68 ILE HD1% 1.0 . 5.90 483 447 A 42 PRO HDx A 70 LEU HDy% 1.0 . 6.10 484 448 A 43 ASP H A 43 ASP HBy 1.0 . 3.81 485 449 A 43 ASP H A 43 ASP HBx 1.0 . 3.74 486 450 A 43 ASP H A 44 LEU H 1.0 . 5.30 487 451 A 43 ASP HA A 44 LEU H 1.0 . 3.46 488 452 A 109 TYR HE% A 43 ASP HA 1.0 . 6.94 489 453 A 43 ASP HBy A 44 LEU H 1.0 . 4.17 490 454 A 43 ASP HBx A 44 LEU H 1.0 . 4.33 491 455 A 44 LEU H A 44 LEU HBy 1.0 . 3.69 492 456 A 44 LEU H A 44 LEU HG 1.0 . 4.99 493 457 A 44 LEU H A 44 LEU HDx% 1.0 . 5.89 494 458 A 44 LEU H A 44 LEU HDy% 1.0 . 6.31 495 459 A 68 ILE HG2% A 44 LEU H 1.0 . 6.60 496 460 A 109 TYR HE% A 44 LEU H 1.0 . 7.02 497 461 A 44 LEU HG A 44 LEU HA 1.0 . 3.75 498 462 A 44 LEU HDy% A 44 LEU HA 1.0 . 5.36 499 463 A 44 LEU HBy A 46 LYS H 1.0 . 5.00 500 464 A 109 TYR HE% A 44 LEU HBy 1.0 . 6.50 501 465 A 46 LYS H A 44 LEU HBx 1.0 . 4.98 502 466 A 44 LEU HDx% A 45 ASP H 1.0 . 6.60 503 467 A 44 LEU HDx% A 46 LYS H 1.0 . 6.60 504 468 A 44 LEU HDx% A 64 ILE HA 1.0 . 5.70 505 469 A 44 LEU HDx% A 64 ILE HG2% 1.0 . 6.10 506 470 A 64 ILE HD1% A 44 LEU HDx% 1.0 . 6.34 507 471 A 68 ILE HG2% A 44 LEU HDx% 1.0 . 5.33 508 472 A 109 TYR HE% A 44 LEU HDx% 1.0 . 7.45 509 473 A 46 LYS H A 45 ASP H 1.0 . 4.62 510 474 A 46 LYS H A 45 ASP HBy 1.0 . 4.91 511 475 A 49 TYR HBy A 48 LYS HA 1.0 . 5.11 512 476 A 49 TYR HD% A 48 LYS HA 1.0 . 7.24 513 477 A 48 LYS HBy B 733 ILE HD1% 1.0 . 6.18 514 478 B 732 TYR HD% A 48 LYS HBx 1.0 . 7.06 515 479 B 732 TYR HE% A 48 LYS HBx 1.0 . 6.89 516 480 B 732 TYR HD% A 49 TYR H 1.0 . 7.43 517 481 A 49 TYR HA B 733 ILE HG2% 1.0 . 6.47 518 482 A 49 TYR HA B 735 ILE HB 1.0 . 5.80 519 483 A 50 LEU HA A 49 TYR HBx 1.0 . 4.69 520 484 A 49 TYR HBx B 733 ILE HG2% 1.0 . 6.59 521 485 A 49 TYR HBx B 735 ILE HD1% 1.0 . 6.90 522 486 A 49 TYR HD% A 64 ILE HD1% 1.0 . 8.04 523 487 B 732 TYR HE% A 49 TYR HD% 1.0 . 8.90 524 488 A 49 TYR HD% B 733 ILE HG2% 1.0 . 7.39 525 489 A 49 TYR HD% B 733 ILE HD1% 1.0 . 8.80 526 490 A 49 TYR HD% B 735 ILE HB 1.0 . 7.09 527 491 A 49 TYR HD% B 735 ILE HG2% 1.0 . 7.46 528 492 A 49 TYR HD% B 735 ILE HD1% 1.0 . 7.70 529 493 A 49 TYR HE% A 64 ILE HD1% 1.0 . 7.90 530 494 A 49 TYR HE% B 733 ILE HG2% 1.0 . 6.88 531 495 A 49 TYR HE% B 733 ILE HG1x 1.0 . 8.60 532 495 A 49 TYR HE% B 733 ILE HG1y 1.0 . 8.60 533 496 A 49 TYR HE% B 733 ILE HD1% 1.0 . 8.80 534 497 A 49 TYR HE% B 735 ILE HG2% 1.0 . 7.25 535 498 A 49 TYR HE% B 735 ILE HG1y 1.0 . 6.88 536 499 A 49 TYR HE% B 735 ILE HG1x 1.0 . 7.70 537 500 A 49 TYR HE% B 735 ILE HD1% 1.0 . 8.01 538 501 A 50 LEU HDx% A 50 LEU H 1.0 . 6.05 539 502 A 50 LEU H B 734 ILE HA 1.0 . 5.05 540 503 B 734 ILE HD1% A 50 LEU H 1.0 . 6.60 541 504 A 50 LEU HA A 50 LEU HG 1.0 . 4.15 542 505 A 50 LEU HDx% A 50 LEU HA 1.0 . 5.07 543 506 A 50 LEU HA A 51 VAL H 1.0 . 3.55 544 507 B 734 ILE HD1% A 50 LEU HA 1.0 . 7.10 545 508 A 50 LEU HBy B 732 TYR HBx 1.0 . 4.94 546 509 A 50 LEU HBy B 734 ILE HG2% 1.0 . 5.57 547 510 B 732 TYR HD% A 50 LEU HBx 1.0 . 6.89 548 511 A 50 LEU HBx B 734 ILE HA 1.0 . 4.59 549 512 A 50 LEU HBx B 734 ILE HG1y 1.0 . 4.85 550 513 B 734 ILE HD1% A 50 LEU HBx 1.0 . 5.35 551 514 B 732 TYR HD% A 50 LEU HG 1.0 . 7.23 552 515 A 50 LEU HDx% A 51 VAL H 1.0 . 6.44 553 516 A 50 LEU HDx% B 732 TYR HBx 1.0 . 5.54 554 517 A 50 LEU HDx% B 732 TYR HD% 1.0 . 8.57 555 518 A 50 LEU HDx% B 732 TYR HE% 1.0 . 8.62 556 519 A 50 LEU HDx% B 734 ILE HG1y 1.0 . 6.60 557 520 A 50 LEU HDx% B 734 ILE HG1x 1.0 . 6.60 558 521 A 50 LEU HDx% B 734 ILE HD1% 1.0 . 6.56 559 522 A 51 VAL H B 736 LEU HDy% 1.0 . 7.10 560 523 B 736 LEU HDy% A 51 VAL HGx% 1.0 . 7.60 561 524 A 52 PRO HA A 53 SER H 1.0 . 3.45 562 525 A 52 PRO HA A 53 SER HA 1.0 . 4.47 563 526 A 52 PRO HBy A 55 LEU HBx 1.0 . 5.05 564 527 B 736 LEU HDy% A 52 PRO HBy 1.0 . 6.60 565 528 A 52 PRO HBx B 736 LEU HBy 1.0 . 5.50 566 529 A 52 PRO HBx B 736 LEU HBx 1.0 . 5.43 567 530 B 736 LEU HDy% A 52 PRO HBx 1.0 . 5.80 568 531 B 736 LEU HDy% A 52 PRO HDx 1.0 . 6.60 569 531 B 736 LEU HDy% A 52 PRO HDy 1.0 . 6.60 570 532 A 53 SER H A 53 SER HBy 1.0 . 4.06 571 533 A 53 SER H A 53 SER HBx 1.0 . 4.10 572 534 A 53 SER HA A 54 ASP HA 1.0 . 5.00 573 535 A 53 SER HA A 55 LEU H 1.0 . 4.64 574 536 A 91 MET HBy A 53 SER HA 1.0 . 4.72 575 537 A 91 MET HBx A 53 SER HA 1.0 . 5.04 576 538 A 53 SER HA A 92 GLY H 1.0 . 3.51 577 539 A 92 GLY HAy A 53 SER HA 1.0 . 4.41 578 540 A 53 SER HBy A 92 GLY H 1.0 . 4.93 579 541 A 92 GLY HAy A 53 SER HBy 1.0 . 4.05 580 542 A 53 SER HBx A 92 GLY H 1.0 . 5.50 581 543 A 92 GLY HAy A 53 SER HBx 1.0 . 4.13 582 544 A 54 ASP H A 54 ASP HBx 1.0 . 4.11 583 545 A 55 LEU H A 54 ASP H 1.0 . 3.52 584 546 A 54 ASP H A 90 THR HB 1.0 . 5.20 585 547 A 54 ASP H A 90 THR HG2% 1.0 . 6.90 586 548 A 91 MET HBy A 54 ASP H 1.0 . 4.60 587 549 A 54 ASP HA A 90 THR HB 1.0 . 3.79 588 550 A 54 ASP HA A 90 THR HG2% 1.0 . 4.71 589 551 A 54 ASP HA A 92 GLY H 1.0 . 4.52 590 552 A 90 THR HG2% A 54 ASP HBy 1.0 . 6.30 591 553 A 55 LEU H A 54 ASP HBx 1.0 . 4.80 592 554 A 54 ASP HBx A 90 THR HB 1.0 . 5.70 593 555 A 54 ASP HBx A 90 THR HG2% 1.0 . 5.90 594 556 A 55 LEU H A 55 LEU HBy 1.0 . 3.59 595 557 A 55 LEU HBx A 55 LEU H 1.0 . 3.51 596 558 A 55 LEU H A 55 LEU HG 1.0 . 4.93 597 559 A 55 LEU H A 55 LEU HDx% 1.0 . 5.70 598 560 A 55 LEU H A 56 THR H 1.0 . 5.10 599 561 A 55 LEU H A 91 MET H 1.0 . 4.83 600 562 A 91 MET HBy A 55 LEU H 1.0 . 3.90 601 563 A 55 LEU HDx% A 55 LEU HA 1.0 . 4.50 602 564 A 55 LEU HA A 55 LEU HDy% 1.0 . 5.21 603 565 A 56 THR H A 55 LEU HA 1.0 . 3.45 604 566 A 90 THR HG2% A 55 LEU HA 1.0 . 5.28 605 567 A 55 LEU HBy A 56 THR H 1.0 . 5.20 606 568 A 55 LEU HBy A 91 MET H 1.0 . 5.90 607 569 A 91 MET HBy A 55 LEU HBy 1.0 . 4.80 608 570 A 55 LEU HBy A 91 MET HGy 1.0 . 5.55 609 571 A 55 LEU HBx A 60 PHE HBy 1.0 . 5.13 610 572 A 91 MET HBy A 55 LEU HBx 1.0 . 4.11 611 573 A 55 LEU HG A 59 GLN HBx 1.0 . 4.20 612 574 A 55 LEU HG A 59 GLN HGx 1.0 . 5.60 613 574 A 55 LEU HG A 59 GLN HGy 1.0 . 5.60 614 575 A 55 LEU HG A 60 PHE H 1.0 . 4.41 615 576 A 55 LEU HG A 60 PHE HA 1.0 . 4.60 616 577 A 55 LEU HG A 60 PHE HBy 1.0 . 4.20 617 578 A 55 LEU HG A 60 PHE HBx 1.0 . 4.50 618 579 A 55 LEU HG A 60 PHE HD% 1.0 . 6.58 619 580 A 55 LEU HDx% A 56 THR H 1.0 . 5.90 620 581 A 55 LEU HDx% A 59 GLN H 1.0 . 5.84 621 582 A 55 LEU HDx% A 59 GLN HBy 1.0 . 5.58 622 583 A 55 LEU HDx% A 59 GLN HBx 1.0 . 5.08 623 584 A 55 LEU HDx% A 59 GLN HGx 1.0 . 5.71 624 584 A 55 LEU HDx% A 59 GLN HGy 1.0 . 5.71 625 585 A 55 LEU HDx% A 60 PHE H 1.0 . 6.13 626 586 A 55 LEU HDx% A 60 PHE HBy 1.0 . 5.60 627 587 A 55 LEU HDx% A 63 LEU HDy% 1.0 . 5.60 628 588 A 55 LEU HDy% A 63 LEU HDy% 1.0 . 5.60 629 589 A 56 THR H A 57 VAL H 1.0 . 5.02 630 590 A 56 THR H A 59 GLN HGx 1.0 . 5.94 631 590 A 56 THR H A 59 GLN HGy 1.0 . 5.94 632 591 A 90 THR HB A 56 THR H 1.0 . 5.70 633 592 A 90 THR HG2% A 56 THR H 1.0 . 4.90 634 593 A 57 VAL H A 56 THR HA 1.0 . 3.42 635 594 A 56 THR HA A 57 VAL HGx% 1.0 . 5.74 636 595 A 56 THR HA A 59 GLN HGx 1.0 . 5.97 637 595 A 59 GLN HGy A 56 THR HA 1.0 . 5.97 638 596 A 56 THR HA A 89 ALA HB% 1.0 . 6.90 639 597 A 56 THR HA A 90 THR HA 1.0 . 4.17 640 598 A 90 THR HG2% A 56 THR HA 1.0 . 4.49 641 599 A 57 VAL H A 56 THR HG2% 1.0 . 5.24 642 600 A 56 THR HG2% A 58 GLY H 1.0 . 5.50 643 601 A 59 GLN H A 56 THR HG2% 1.0 . 5.99 644 602 A 56 THR HG2% A 59 GLN HGx 1.0 . 6.24 645 602 A 59 GLN HGy A 56 THR HG2% 1.0 . 6.24 646 603 A 56 THR HG2% A 88 SER HA 1.0 . 5.41 647 604 A 56 THR HG2% A 89 ALA H 1.0 . 6.17 648 605 A 57 VAL H A 57 VAL HB 1.0 . 3.56 649 606 A 57 VAL H A 57 VAL HGx% 1.0 . 4.59 650 607 A 57 VAL H A 58 GLY H 1.0 . 3.78 651 608 A 57 VAL H A 87 THR HA 1.0 . 4.90 652 609 A 57 VAL H A 89 ALA H 1.0 . 5.33 653 610 A 57 VAL H A 89 ALA HB% 1.0 . 6.18 654 611 A 91 MET H A 57 VAL H 1.0 . 4.72 655 612 A 60 PHE H A 57 VAL HA 1.0 . 4.67 656 613 A 60 PHE HBy A 57 VAL HA 1.0 . 4.12 657 614 A 60 PHE HBx A 57 VAL HA 1.0 . 4.40 658 615 A 60 PHE HD% A 57 VAL HA 1.0 . 7.02 659 616 A 58 GLY H A 57 VAL HB 1.0 . 4.10 660 617 A 57 VAL HB A 61 TYR HE% 1.0 . 7.02 661 618 A 57 VAL HB A 87 THR HA 1.0 . 4.50 662 619 A 57 VAL HB A 87 THR HG2% 1.0 . 6.60 663 620 A 89 ALA H A 57 VAL HB 1.0 . 5.90 664 621 A 57 VAL HGx% A 58 GLY H 1.0 . 5.63 665 622 A 60 PHE HBy A 57 VAL HGx% 1.0 . 6.97 666 623 A 60 PHE HD% A 57 VAL HGx% 1.0 . 7.30 667 624 A 57 VAL HGx% A 87 THR HA 1.0 . 6.33 668 625 A 57 VAL HGx% A 89 ALA H 1.0 . 5.46 669 626 A 57 VAL HGx% A 89 ALA HB% 1.0 . 5.42 670 627 A 57 VAL HGx% A 90 THR H 1.0 . 6.17 671 628 A 91 MET H A 57 VAL HGx% 1.0 . 5.93 672 629 A 57 VAL HGx% A 91 MET HA 1.0 . 5.58 673 630 A 58 GLY H A 57 VAL HGy% 1.0 . 5.39 674 631 A 57 VAL HGy% A 58 GLY HAy 1.0 . 5.64 675 632 A 57 VAL HGy% A 58 GLY HAx 1.0 . 6.16 676 633 A 57 VAL HGy% A 61 TYR H 1.0 . 6.60 677 634 A 57 VAL HGy% A 61 TYR HD% 1.0 . 7.22 678 635 A 61 TYR HE% A 57 VAL HGy% 1.0 . 7.60 679 636 A 57 VAL HGy% A 86 PRO HA 1.0 . 5.50 680 637 A 87 THR HA A 57 VAL HGy% 1.0 . 4.53 681 638 A 57 VAL HGy% A 87 THR HB 1.0 . 6.18 682 639 A 87 THR HG2% A 57 VAL HGy% 1.0 . 5.77 683 640 A 59 GLN H A 58 GLY H 1.0 . 4.13 684 641 A 60 PHE H A 58 GLY H 1.0 . 5.10 685 642 A 58 GLY H A 61 TYR HD% 1.0 . 7.38 686 643 A 58 GLY H A 87 THR HA 1.0 . 4.25 687 644 A 58 GLY H A 87 THR HB 1.0 . 4.90 688 645 A 58 GLY H A 87 THR HG2% 1.0 . 6.30 689 646 A 58 GLY HAy A 61 TYR H 1.0 . 5.13 690 647 A 58 GLY HAy A 61 TYR HD% 1.0 . 7.04 691 648 A 58 GLY HAy A 87 THR HB 1.0 . 4.80 692 649 A 87 THR HG2% A 58 GLY HAy 1.0 . 5.47 693 650 A 58 GLY HAx A 61 TYR HBy 1.0 . 4.94 694 651 A 58 GLY HAx A 61 TYR HD% 1.0 . 6.64 695 652 A 87 THR HG2% A 58 GLY HAx 1.0 . 6.10 696 653 A 59 GLN HBx A 59 GLN H 1.0 . 3.96 697 654 A 59 GLN H A 59 GLN HGx 1.0 . 4.18 698 654 A 59 GLN HGy A 59 GLN H 1.0 . 4.18 699 655 A 60 PHE H A 59 GLN H 1.0 . 3.74 700 656 A 59 GLN H A 62 PHE HBy 1.0 . 5.50 701 657 A 59 GLN HA A 62 PHE H 1.0 . 4.68 702 658 A 59 GLN HA A 62 PHE HA 1.0 . 5.97 703 659 A 62 PHE HBy A 59 GLN HA 1.0 . 4.07 704 660 A 59 GLN HA A 62 PHE HBx 1.0 . 4.50 705 661 A 59 GLN HA A 62 PHE HD% 1.0 . 6.84 706 662 A 59 GLN HA A 63 LEU HDx% 1.0 . 5.82 707 663 A 60 PHE H A 59 GLN HBy 1.0 . 4.63 708 664 A 59 GLN HBx A 60 PHE H 1.0 . 4.97 709 665 A 59 GLN HBx A 60 PHE HA 1.0 . 5.51 710 666 A 59 GLN HBx A 62 PHE HBy 1.0 . 6.00 711 667 A 59 GLN HBx A 63 LEU HDx% 1.0 . 5.90 712 668 A 60 PHE H A 59 GLN HGx 1.0 . 5.25 713 668 A 59 GLN HGy A 60 PHE H 1.0 . 5.25 714 669 A 60 PHE H A 61 TYR H 1.0 . 3.96 715 670 A 60 PHE HA A 61 TYR HA 1.0 . 5.50 716 671 A 60 PHE HA A 63 LEU H 1.0 . 4.60 717 672 A 60 PHE HA A 63 LEU HBy 1.0 . 4.24 718 673 A 60 PHE HA A 63 LEU HBx 1.0 . 5.01 719 674 A 60 PHE HA A 63 LEU HDx% 1.0 . 5.30 720 675 A 60 PHE HA A 64 ILE H 1.0 . 5.12 721 676 A 60 PHE HBy A 61 TYR H 1.0 . 4.30 722 677 A 60 PHE HBy A 61 TYR HA 1.0 . 5.69 723 678 A 60 PHE HBy A 63 LEU HDy% 1.0 . 6.10 724 679 A 60 PHE HBx A 61 TYR H 1.0 . 4.73 725 680 A 91 MET HGx A 60 PHE HBx 1.0 . 5.29 726 681 A 91 MET HE% A 60 PHE HBx 1.0 . 6.90 727 682 A 60 PHE HD% A 63 LEU HBy 1.0 . 6.98 728 683 A 60 PHE HD% A 63 LEU HDy% 1.0 . 7.32 729 684 A 60 PHE HD% A 64 ILE HG1y 1.0 . 6.74 730 685 A 91 MET HGx A 60 PHE HD% 1.0 . 7.12 731 686 A 91 MET HE% A 60 PHE HD% 1.0 . 6.39 732 687 A 60 PHE HE% A 64 ILE HB 1.0 . 7.19 733 688 A 60 PHE HE% A 64 ILE HG1y 1.0 . 6.31 734 689 A 60 PHE HE% A 64 ILE HG1x 1.0 . 7.18 735 690 A 60 PHE HE% A 64 ILE HD1% 1.0 . 7.47 736 691 A 60 PHE HE% A 78 PHE HD% 1.0 . 8.98 737 692 A 60 PHE HE% A 78 PHE HE% 1.0 . 8.32 738 693 A 91 MET HE% A 60 PHE HE% 1.0 . 6.90 739 694 A 107 VAL HGx% A 60 PHE HE% 1.0 . 7.18 740 695 A 60 PHE HE% A 107 VAL HGy% 1.0 . 7.69 741 696 A 60 PHE HZ A 61 TYR HA 1.0 . 6.00 742 697 A 60 PHE HZ A 61 TYR HD% 1.0 . 7.10 743 698 A 60 PHE HZ A 61 TYR HE% 1.0 . 7.20 744 699 A 60 PHE HZ A 64 ILE HB 1.0 . 5.54 745 700 A 60 PHE HZ A 64 ILE HG2% 1.0 . 5.90 746 701 A 60 PHE HZ A 64 ILE HG1y 1.0 . 4.74 747 702 A 60 PHE HZ A 64 ILE HG1x 1.0 . 4.89 748 703 A 60 PHE HZ A 64 ILE HD1% 1.0 . 6.20 749 704 A 60 PHE HZ A 107 VAL HGy% 1.0 . 6.30 750 705 A 61 TYR H A 61 TYR HBy 1.0 . 3.68 751 706 A 61 TYR H A 61 TYR HBx 1.0 . 3.70 752 707 A 61 TYR H A 62 PHE H 1.0 . 4.27 753 708 A 62 PHE HA A 61 TYR HA 1.0 . 5.42 754 709 A 62 PHE HD% A 61 TYR HA 1.0 . 7.50 755 710 A 61 TYR HA A 64 ILE H 1.0 . 5.22 756 711 A 61 TYR HA A 64 ILE HB 1.0 . 4.97 757 712 A 64 ILE HG2% A 61 TYR HA 1.0 . 5.82 758 713 A 61 TYR HBy A 62 PHE H 1.0 . 4.24 759 714 A 62 PHE H A 61 TYR HBx 1.0 . 4.20 760 715 A 62 PHE HA A 61 TYR HBx 1.0 . 4.74 761 716 A 62 PHE HD% A 61 TYR HBx 1.0 . 6.82 762 717 A 61 TYR HD% A 62 PHE H 1.0 . 7.06 763 718 A 61 TYR HD% A 62 PHE HD% 1.0 . 9.27 764 719 A 61 TYR HD% A 64 ILE HG1y 1.0 . 7.23 765 720 A 61 TYR HD% A 76 LEU HG 1.0 . 6.42 766 721 A 87 THR HG2% A 61 TYR HD% 1.0 . 7.05 767 722 A 61 TYR HE% A 76 LEU HG 1.0 . 7.10 768 723 A 61 TYR HE% A 77 PHE HA 1.0 . 6.00 769 724 A 61 TYR HE% A 77 PHE HBx 1.0 . 7.90 770 724 A 61 TYR HE% A 77 PHE HBy 1.0 . 7.90 771 725 A 61 TYR HE% A 78 PHE H 1.0 . 6.62 772 726 A 61 TYR HE% A 78 PHE HBx 1.0 . 7.09 773 726 A 61 TYR HE% A 78 PHE HBy 1.0 . 7.09 774 727 A 61 TYR HE% A 78 PHE HD% 1.0 . 9.12 775 728 A 61 TYR HE% A 87 THR HG2% 1.0 . 7.05 776 729 A 62 PHE HBy A 62 PHE H 1.0 . 3.57 777 730 A 62 PHE H A 62 PHE HBx 1.0 . 3.78 778 731 A 62 PHE HA A 65 ARG H 1.0 . 4.78 779 732 A 62 PHE HA A 65 ARG HBy 1.0 . 4.98 780 733 A 62 PHE HA A 65 ARG HBx 1.0 . 4.71 781 734 A 62 PHE HBy A 63 LEU H 1.0 . 4.05 782 735 A 62 PHE HBx A 63 LEU H 1.0 . 4.41 783 736 A 62 PHE HBx A 63 LEU HDx% 1.0 . 6.21 784 737 A 62 PHE HD% A 63 LEU H 1.0 . 7.15 785 738 A 62 PHE HD% A 63 LEU HDx% 1.0 . 7.36 786 739 A 62 PHE HD% A 66 LYS HDx 1.0 . 7.69 787 739 A 62 PHE HD% A 66 LYS HDy 1.0 . 7.69 788 740 A 62 PHE HD% A 66 LYS HEx 1.0 . 8.13 789 740 A 62 PHE HD% A 66 LYS HEy 1.0 . 8.13 790 741 A 63 LEU H A 63 LEU HBy 1.0 . 3.59 791 742 A 63 LEU H A 63 LEU HBx 1.0 . 4.14 792 743 A 63 LEU HDx% A 63 LEU H 1.0 . 5.36 793 744 A 63 LEU H A 64 ILE H 1.0 . 3.81 794 745 A 63 LEU HDx% A 63 LEU HA 1.0 . 4.46 795 746 A 63 LEU HDy% A 63 LEU HA 1.0 . 5.32 796 747 A 64 ILE HA A 63 LEU HA 1.0 . 5.50 797 748 A 63 LEU HA A 66 LYS HGy 1.0 . 5.80 798 749 A 63 LEU HBy A 64 ILE H 1.0 . 4.47 799 750 A 64 ILE HD1% A 63 LEU HBy 1.0 . 6.10 800 751 A 63 LEU HBx A 64 ILE H 1.0 . 5.00 801 752 A 63 LEU HDx% A 66 LYS HDx 1.0 . 6.90 802 752 A 63 LEU HDx% A 66 LYS HDy 1.0 . 6.90 803 753 A 63 LEU HDx% A 66 LYS HEx 1.0 . 6.96 804 753 A 63 LEU HDx% A 66 LYS HEy 1.0 . 6.96 805 754 A 64 ILE H A 64 ILE HB 1.0 . 4.05 806 755 A 64 ILE H A 64 ILE HG1y 1.0 . 4.53 807 756 A 64 ILE H A 64 ILE HG1x 1.0 . 4.64 808 757 A 64 ILE HD1% A 64 ILE H 1.0 . 5.67 809 758 A 64 ILE H A 65 ARG H 1.0 . 4.37 810 759 A 64 ILE H A 67 ARG H 1.0 . 5.09 811 760 A 64 ILE HD1% A 64 ILE HA 1.0 . 4.61 812 761 A 64 ILE HA A 67 ARG H 1.0 . 4.51 813 762 A 64 ILE HA A 67 ARG HBy 1.0 . 4.06 814 763 A 64 ILE HA A 67 ARG HBx 1.0 . 4.98 815 764 A 64 ILE HA A 67 ARG HGx 1.0 . 5.60 816 764 A 64 ILE HA A 67 ARG HGy 1.0 . 5.60 817 765 A 64 ILE HA A 68 ILE H 1.0 . 5.11 818 766 A 64 ILE HB A 65 ARG H 1.0 . 4.59 819 767 A 64 ILE HG2% A 65 ARG H 1.0 . 5.78 820 768 A 64 ILE HG2% A 67 ARG HBy 1.0 . 5.41 821 769 A 109 TYR HD% A 64 ILE HG2% 1.0 . 7.32 822 770 A 109 TYR HE% A 64 ILE HG2% 1.0 . 7.87 823 771 B 735 ILE HD1% A 64 ILE HG1x 1.0 . 7.10 824 772 A 64 ILE HD1% A 67 ARG HDx 1.0 . 6.58 825 772 A 64 ILE HD1% A 67 ARG HDy 1.0 . 6.58 826 773 A 64 ILE HD1% B 735 ILE HD1% 1.0 . 7.70 827 774 A 65 ARG H A 65 ARG HBy 1.0 . 3.98 828 775 A 65 ARG H A 65 ARG HGy 1.0 . 4.63 829 776 A 65 ARG H A 66 LYS H 1.0 . 4.42 830 777 A 65 ARG H A 67 ARG H 1.0 . 5.45 831 778 A 65 ARG HA A 66 LYS HA 1.0 . 5.43 832 779 A 68 ILE H A 65 ARG HA 1.0 . 4.90 833 780 A 65 ARG HA A 68 ILE HG1y 1.0 . 4.87 834 781 A 65 ARG HA A 68 ILE HG1x 1.0 . 3.97 835 782 A 68 ILE HD1% A 65 ARG HA 1.0 . 5.26 836 783 A 70 LEU HDx% A 65 ARG HA 1.0 . 5.43 837 784 A 76 LEU HG A 65 ARG HA 1.0 . 6.00 838 785 A 65 ARG HBy A 66 LYS H 1.0 . 4.41 839 786 A 65 ARG HBx A 66 LYS H 1.0 . 5.24 840 787 A 70 LEU HDx% A 65 ARG HBx 1.0 . 5.60 841 788 A 70 LEU HDx% A 65 ARG HGx 1.0 . 6.30 842 789 A 66 LYS H A 66 LYS HBy 1.0 . 3.60 843 790 A 66 LYS HGy A 66 LYS H 1.0 . 4.50 844 791 A 66 LYS H A 66 LYS HGx 1.0 . 4.90 845 792 A 66 LYS H A 66 LYS HDx 1.0 . 5.16 846 792 A 66 LYS HDy A 66 LYS H 1.0 . 5.16 847 793 A 67 ARG H A 66 LYS H 1.0 . 3.40 848 794 A 66 LYS HGy A 66 LYS HA 1.0 . 3.88 849 795 A 66 LYS HA A 66 LYS HGx 1.0 . 3.99 850 796 A 66 LYS HA A 66 LYS HDx 1.0 . 5.30 851 796 A 66 LYS HDy A 66 LYS HA 1.0 . 5.30 852 797 A 66 LYS HBy A 66 LYS HEx 1.0 . 5.67 853 797 A 66 LYS HEy A 66 LYS HBy 1.0 . 5.67 854 798 A 67 ARG H A 67 ARG HBy 1.0 . 3.31 855 799 A 67 ARG H A 67 ARG HGx 1.0 . 5.71 856 799 A 67 ARG H A 67 ARG HGy 1.0 . 5.71 857 800 A 67 ARG H A 67 ARG HDx 1.0 . 5.74 858 800 A 67 ARG H A 67 ARG HDy 1.0 . 5.74 859 801 A 67 ARG H A 68 ILE H 1.0 . 3.94 860 802 A 67 ARG HA A 67 ARG HDx 1.0 . 5.43 861 802 A 67 ARG HDy A 67 ARG HA 1.0 . 5.43 862 803 A 67 ARG HBy A 68 ILE H 1.0 . 4.13 863 804 A 68 ILE H A 68 ILE HG1y 1.0 . 3.96 864 805 A 68 ILE H A 68 ILE HG1x 1.0 . 3.82 865 806 A 68 ILE HD1% A 68 ILE H 1.0 . 6.00 866 807 A 68 ILE H A 70 LEU HG 1.0 . 4.90 867 808 A 69 HIS HD2 A 68 ILE HA 1.0 . 4.22 868 809 A 68 ILE HB A 69 HIS H 1.0 . 4.65 869 810 A 70 LEU HDy% A 68 ILE HB 1.0 . 5.60 870 811 A 109 TYR HE% A 68 ILE HG2% 1.0 . 8.23 871 812 A 68 ILE HG1y A 69 HIS H 1.0 . 4.76 872 813 A 68 ILE HG1y A 70 LEU HG 1.0 . 4.17 873 814 A 68 ILE HG1x A 69 HIS H 1.0 . 4.74 874 815 A 68 ILE HG1x A 70 LEU HG 1.0 . 4.95 875 816 A 68 ILE HD1% A 70 LEU HG 1.0 . 5.27 876 817 A 68 ILE HD1% A 70 LEU HDx% 1.0 . 6.10 877 818 A 68 ILE HD1% A 70 LEU HDy% 1.0 . 5.67 878 819 A 109 TYR HE% A 68 ILE HD1% 1.0 . 7.17 879 820 A 69 HIS H A 69 HIS HBx 1.0 . 3.99 880 821 A 69 HIS HD2 A 69 HIS H 1.0 . 4.60 881 822 A 69 HIS H A 70 LEU H 1.0 . 3.81 882 823 A 70 LEU HG A 69 HIS H 1.0 . 4.84 883 824 A 69 HIS HD2 A 69 HIS HA 1.0 . 4.97 884 825 A 69 HIS HD2 A 69 HIS HBy 1.0 . 4.00 885 826 A 69 HIS HBx A 70 LEU H 1.0 . 4.70 886 827 A 70 LEU H A 70 LEU HBx 1.0 . 3.96 887 828 A 70 LEU HG A 70 LEU H 1.0 . 3.72 888 829 A 70 LEU HDx% A 70 LEU H 1.0 . 5.43 889 830 A 70 LEU HDy% A 70 LEU H 1.0 . 5.49 890 831 A 70 LEU HDx% A 70 LEU HA 1.0 . 5.49 891 832 A 70 LEU HA A 71 ARG H 1.0 . 3.18 892 833 A 71 ARG H A 70 LEU HBy 1.0 . 3.48 893 834 A 70 LEU HBy A 74 ASP HBy 1.0 . 4.27 894 835 A 70 LEU HBx A 71 ARG H 1.0 . 4.27 895 836 A 70 LEU HBx A 74 ASP HBy 1.0 . 4.99 896 837 A 70 LEU HDx% A 71 ARG H 1.0 . 5.23 897 838 A 70 LEU HDx% A 74 ASP H 1.0 . 5.85 898 839 A 70 LEU HDx% A 74 ASP HBy 1.0 . 4.97 899 840 A 70 LEU HDx% A 75 ALA H 1.0 . 7.10 900 841 A 70 LEU HDy% A 71 ARG H 1.0 . 6.20 901 842 A 70 LEU HDy% A 74 ASP HBy 1.0 . 5.20 902 843 A 71 ARG H A 71 ARG HBy 1.0 . 4.04 903 844 A 71 ARG H A 71 ARG HDx 1.0 . 6.08 904 844 A 71 ARG H A 71 ARG HDy 1.0 . 6.08 905 845 A 71 ARG H A 73 GLU H 1.0 . 5.50 906 846 A 71 ARG H A 74 ASP H 1.0 . 4.58 907 847 A 71 ARG H A 74 ASP HBy 1.0 . 3.96 908 848 A 71 ARG HA A 71 ARG HDx 1.0 . 5.61 909 848 A 71 ARG HDy A 71 ARG HA 1.0 . 5.61 910 849 A 71 ARG HA A 72 PRO HA 1.0 . 4.68 911 850 A 71 ARG HA A 72 PRO HDy 1.0 . 3.58 912 851 A 71 ARG HA A 72 PRO HDx 1.0 . 3.32 913 852 A 71 ARG HBy A 72 PRO HDy 1.0 . 3.79 914 853 A 71 ARG HBy A 72 PRO HDx 1.0 . 4.50 915 854 A 71 ARG HBy A 73 GLU H 1.0 . 4.88 916 855 A 72 PRO HDy A 71 ARG HBx 1.0 . 4.82 917 856 A 72 PRO HDx A 71 ARG HBx 1.0 . 4.63 918 857 A 73 GLU H A 71 ARG HBx 1.0 . 4.45 919 858 A 74 ASP H A 71 ARG HBx 1.0 . 4.50 920 859 A 73 GLU H A 71 ARG HDx 1.0 . 6.14 921 859 A 71 ARG HDy A 73 GLU H 1.0 . 6.14 922 860 A 74 ASP HBy A 72 PRO HA 1.0 . 5.00 923 861 A 73 GLU H A 72 PRO HGx 1.0 . 5.19 924 862 A 73 GLU H A 72 PRO HGy 1.0 . 5.17 925 863 A 73 GLU H A 72 PRO HDy 1.0 . 4.24 926 864 A 74 ASP H A 72 PRO HDy 1.0 . 5.08 927 865 A 73 GLU H A 72 PRO HDx 1.0 . 4.91 928 866 A 73 GLU H A 73 GLU HGx 1.0 . 4.53 929 866 A 73 GLU H A 73 GLU HGy 1.0 . 4.53 930 867 A 74 ASP H A 73 GLU H 1.0 . 3.68 931 868 A 74 ASP H A 73 GLU HGx 1.0 . 5.40 932 868 A 74 ASP H A 73 GLU HGy 1.0 . 5.40 933 869 A 74 ASP HBy A 74 ASP H 1.0 . 3.21 934 870 A 74 ASP H A 75 ALA H 1.0 . 4.82 935 871 A 75 ALA H A 74 ASP HA 1.0 . 3.13 936 872 A 74 ASP HA A 75 ALA HA 1.0 . 4.62 937 873 A 74 ASP HA A 75 ALA HB% 1.0 . 5.23 938 874 A 74 ASP HBy A 75 ALA H 1.0 . 4.89 939 875 A 75 ALA H A 74 ASP HBx 1.0 . 3.77 940 876 A 75 ALA HB% A 74 ASP HBx 1.0 . 5.60 941 877 A 74 ASP HBx A 76 LEU HBx 1.0 . 5.18 942 878 A 75 ALA H A 76 LEU H 1.0 . 4.88 943 879 A 75 ALA HA A 76 LEU H 1.0 . 3.28 944 880 A 75 ALA HA A 76 LEU HA 1.0 . 4.85 945 881 A 75 ALA HA A 76 LEU HBx 1.0 . 4.93 946 882 A 75 ALA HA A 76 LEU HBy 1.0 . 5.50 947 883 A 75 ALA HA A 77 PHE HE% 1.0 . 7.15 948 884 A 111 ASP HA A 75 ALA HA 1.0 . 5.50 949 885 A 75 ALA HB% A 77 PHE HD% 1.0 . 7.67 950 886 A 75 ALA HB% A 77 PHE HE% 1.0 . 6.67 951 887 A 111 ASP HA A 75 ALA HB% 1.0 . 5.19 952 888 A 111 ASP HBy A 75 ALA HB% 1.0 . 6.60 953 889 A 111 ASP HBx A 75 ALA HB% 1.0 . 6.90 954 890 A 76 LEU H A 76 LEU HDx% 1.0 . 6.09 955 891 A 76 LEU HA A 76 LEU HDx% 1.0 . 4.58 956 892 A 76 LEU HA A 77 PHE H 1.0 . 3.50 957 893 A 76 LEU HA A 77 PHE HD% 1.0 . 6.91 958 894 A 76 LEU HBx A 77 PHE H 1.0 . 4.86 959 895 A 76 LEU HBy A 77 PHE H 1.0 . 4.60 960 896 A 76 LEU HG A 77 PHE H 1.0 . 5.32 961 897 A 76 LEU HG A 77 PHE HA 1.0 . 4.81 962 898 A 76 LEU HG A 109 TYR HBy 1.0 . 4.95 963 899 A 76 LEU HG A 109 TYR HBx 1.0 . 5.80 964 900 A 109 TYR HD% A 76 LEU HG 1.0 . 6.90 965 901 A 110 SER H A 76 LEU HG 1.0 . 5.07 966 902 A 76 LEU HDx% A 77 PHE H 1.0 . 5.03 967 903 A 109 TYR HA A 76 LEU HDx% 1.0 . 6.10 968 904 A 76 LEU HDx% A 109 TYR HBy 1.0 . 5.04 969 905 A 76 LEU HDx% A 109 TYR HBx 1.0 . 6.10 970 906 A 109 TYR HD% A 76 LEU HDx% 1.0 . 6.74 971 907 A 110 SER H A 76 LEU HDx% 1.0 . 5.46 972 908 A 111 ASP HA A 76 LEU HDx% 1.0 . 5.16 973 909 A 77 PHE HA A 78 PHE HBx 1.0 . 5.50 974 909 A 77 PHE HA A 78 PHE HBy 1.0 . 5.50 975 910 A 77 PHE HA A 84 ILE HG2% 1.0 . 6.60 976 911 A 109 TYR HA A 77 PHE HA 1.0 . 5.80 977 912 A 79 PHE HD% A 77 PHE HBx 1.0 . 7.87 978 912 A 77 PHE HBy A 79 PHE HD% 1.0 . 7.87 979 913 A 79 PHE HE% A 77 PHE HBx 1.0 . 7.30 980 913 A 77 PHE HBy A 79 PHE HE% 1.0 . 7.30 981 914 A 84 ILE HG2% A 77 PHE HBx 1.0 . 6.56 982 914 A 77 PHE HBy A 84 ILE HG2% 1.0 . 6.56 983 915 A 84 ILE HD1% A 77 PHE HBx 1.0 . 6.30 984 915 A 77 PHE HBy A 84 ILE HD1% 1.0 . 6.30 985 916 A 110 SER H A 77 PHE HBx 1.0 . 5.41 986 916 A 110 SER H A 77 PHE HBy 1.0 . 5.41 987 917 A 113 SER HA A 77 PHE HBx 1.0 . 5.58 988 917 A 77 PHE HBy A 113 SER HA 1.0 . 5.58 989 918 A 78 PHE H A 77 PHE HD% 1.0 . 7.17 990 919 A 77 PHE HD% A 84 ILE HG2% 1.0 . 7.15 991 920 A 77 PHE HD% A 84 ILE HD1% 1.0 . 6.97 992 921 A 110 SER H A 77 PHE HD% 1.0 . 6.87 993 922 A 110 SER HBy A 77 PHE HD% 1.0 . 7.90 994 923 A 112 GLU H A 77 PHE HD% 1.0 . 6.75 995 924 A 77 PHE HD% A 112 GLU HA 1.0 . 6.41 996 925 A 77 PHE HD% A 112 GLU HBx 1.0 . 7.10 997 926 A 77 PHE HD% A 113 SER HA 1.0 . 6.79 998 927 A 77 PHE HD% A 113 SER HBy 1.0 . 7.15 999 928 A 77 PHE HD% A 113 SER HBx 1.0 . 6.70 1000 929 A 77 PHE HD% A 114 VAL H 1.0 . 7.10 1001 930 A 77 PHE HE% A 112 GLU HA 1.0 . 6.40 1002 931 A 77 PHE HE% A 112 GLU HBy 1.0 . 6.90 1003 932 A 77 PHE HE% A 113 SER H 1.0 . 5.93 1004 933 A 77 PHE HE% A 113 SER HBy 1.0 . 6.85 1005 934 A 77 PHE HE% A 113 SER HBx 1.0 . 6.96 1006 935 A 78 PHE H A 79 PHE H 1.0 . 5.04 1007 936 A 78 PHE H A 84 ILE HG2% 1.0 . 5.73 1008 937 A 79 PHE H A 78 PHE HA 1.0 . 3.34 1009 938 A 107 VAL HGy% A 78 PHE HA 1.0 . 7.10 1010 939 A 109 TYR HA A 78 PHE HA 1.0 . 4.16 1011 940 A 110 SER H A 78 PHE HA 1.0 . 4.94 1012 941 A 84 ILE HA A 78 PHE HBx 1.0 . 6.60 1013 941 A 78 PHE HBy A 84 ILE HA 1.0 . 6.60 1014 942 A 84 ILE HG2% A 78 PHE HBx 1.0 . 6.98 1015 942 A 78 PHE HBy A 84 ILE HG2% 1.0 . 6.98 1016 943 A 85 PRO HDy A 78 PHE HBx 1.0 . 5.39 1017 943 A 78 PHE HBy A 85 PRO HDy 1.0 . 5.39 1018 944 A 85 PRO HDx A 78 PHE HBx 1.0 . 6.10 1019 944 A 78 PHE HBy A 85 PRO HDx 1.0 . 6.10 1020 945 A 107 VAL HGx% A 78 PHE HBx 1.0 . 7.20 1021 945 A 107 VAL HGx% A 78 PHE HBy 1.0 . 7.20 1022 946 A 107 VAL HGy% A 78 PHE HBx 1.0 . 6.80 1023 946 A 107 VAL HGy% A 78 PHE HBy 1.0 . 6.80 1024 947 A 78 PHE HD% A 79 PHE H 1.0 . 6.05 1025 948 A 107 VAL HGy% A 78 PHE HD% 1.0 . 7.39 1026 949 A 78 PHE HD% A 108 ALA H 1.0 . 7.24 1027 950 A 107 VAL HGy% A 78 PHE HE% 1.0 . 8.04 1028 951 A 109 TYR HD% A 78 PHE HE% 1.0 . 8.13 1029 952 A 79 PHE HE% A 79 PHE H 1.0 . 7.24 1030 953 A 79 PHE H A 107 VAL HA 1.0 . 5.23 1031 954 A 107 VAL HGy% A 79 PHE H 1.0 . 6.30 1032 955 A 79 PHE H A 108 ALA H 1.0 . 3.98 1033 956 A 108 ALA HB% A 79 PHE H 1.0 . 5.64 1034 957 A 109 TYR HA A 79 PHE H 1.0 . 4.50 1035 958 A 79 PHE HA A 80 VAL H 1.0 . 3.17 1036 959 A 79 PHE HA A 80 VAL HB 1.0 . 5.43 1037 960 A 79 PHE HA A 80 VAL HGx% 1.0 . 5.62 1038 961 A 79 PHE HA A 83 THR H 1.0 . 4.43 1039 962 A 85 PRO HDx A 79 PHE HA 1.0 . 4.38 1040 963 A 82 ASN HA A 79 PHE HBx 1.0 . 5.17 1041 963 A 79 PHE HBy A 82 ASN HA 1.0 . 5.17 1042 964 A 83 THR H A 79 PHE HBx 1.0 . 5.18 1043 964 A 83 THR H A 79 PHE HBy 1.0 . 5.18 1044 965 A 106 TYR HE% A 79 PHE HBx 1.0 . 7.78 1045 965 A 106 TYR HE% A 79 PHE HBy 1.0 . 7.78 1046 966 A 108 ALA H A 79 PHE HBx 1.0 . 5.36 1047 966 A 108 ALA H A 79 PHE HBy 1.0 . 5.36 1048 967 A 108 ALA HB% A 79 PHE HBx 1.0 . 5.58 1049 967 A 108 ALA HB% A 79 PHE HBy 1.0 . 5.58 1050 968 A 79 PHE HD% A 80 VAL H 1.0 . 7.05 1051 969 A 79 PHE HD% A 84 ILE H 1.0 . 7.38 1052 970 A 79 PHE HD% A 84 ILE HG1y 1.0 . 6.90 1053 971 A 79 PHE HD% A 84 ILE HG1x 1.0 . 6.59 1054 972 A 108 ALA HB% A 79 PHE HD% 1.0 . 7.53 1055 973 A 110 SER HBy A 79 PHE HD% 1.0 . 7.10 1056 974 A 84 ILE HG2% A 79 PHE HE% 1.0 . 8.20 1057 975 A 79 PHE HE% A 84 ILE HG1y 1.0 . 7.09 1058 976 A 79 PHE HE% A 84 ILE HD1% 1.0 . 7.10 1059 977 A 110 SER H A 79 PHE HE% 1.0 . 6.88 1060 978 A 110 SER HBy A 79 PHE HE% 1.0 . 6.55 1061 979 A 110 SER HBx A 79 PHE HE% 1.0 . 6.85 1062 980 A 79 PHE HE% A 113 SER HBy 1.0 . 6.96 1063 981 A 79 PHE HE% A 113 SER HBx 1.0 . 6.72 1064 982 A 80 VAL H A 80 VAL HB 1.0 . 3.81 1065 983 A 80 VAL H A 82 ASN H 1.0 . 4.83 1066 984 A 80 VAL H A 83 THR H 1.0 . 3.58 1067 985 A 84 ILE HA A 80 VAL H 1.0 . 5.19 1068 986 A 85 PRO HDy A 80 VAL H 1.0 . 4.94 1069 987 A 85 PRO HDx A 80 VAL H 1.0 . 4.23 1070 988 A 80 VAL HA A 81 ASN H 1.0 . 3.62 1071 989 A 80 VAL HA A 81 ASN HA 1.0 . 4.98 1072 990 A 82 ASN H A 80 VAL HA 1.0 . 4.99 1073 991 A 83 THR H A 80 VAL HA 1.0 . 4.69 1074 992 A 80 VAL HB A 83 THR H 1.0 . 5.91 1075 993 A 85 PRO HDx A 80 VAL HB 1.0 . 5.01 1076 994 A 80 VAL HB A 94 LEU HBy 1.0 . 5.40 1077 995 A 80 VAL HGx% A 81 ASN H 1.0 . 6.01 1078 996 A 85 PRO HDx A 80 VAL HGx% 1.0 . 5.36 1079 997 A 107 VAL HGx% A 80 VAL HGx% 1.0 . 5.90 1080 998 A 81 ASN H A 80 VAL HGy% 1.0 . 5.62 1081 999 A 81 ASN HA A 80 VAL HGy% 1.0 . 5.97 1082 1000 A 80 VAL HGy% A 81 ASN HBy 1.0 . 5.82 1083 1001 A 80 VAL HGy% A 81 ASN HBx 1.0 . 5.18 1084 1002 A 80 VAL HGy% A 81 ASN HD2x 1.0 . 5.96 1085 1003 A 83 THR H A 80 VAL HGy% 1.0 . 5.90 1086 1004 A 80 VAL HGy% A 94 LEU HA 1.0 . 6.60 1087 1005 A 80 VAL HGy% A 94 LEU HBx 1.0 . 6.10 1088 1006 A 80 VAL HGy% A 98 ASN H 1.0 . 6.90 1089 1007 A 80 VAL HGy% A 98 ASN HA 1.0 . 7.10 1090 1008 A 80 VAL HGy% A 98 ASN HBx 1.0 . 5.44 1091 1008 A 80 VAL HGy% A 98 ASN HBy 1.0 . 5.44 1092 1009 A 80 VAL HGy% A 98 ASN HD2x 1.0 . 5.65 1093 1010 A 105 LEU HBx A 80 VAL HGy% 1.0 . 5.53 1094 1011 A 80 VAL HGy% A 105 LEU HG 1.0 . 4.97 1095 1012 A 107 VAL HGx% A 80 VAL HGy% 1.0 . 6.02 1096 1013 A 82 ASN H A 81 ASN H 1.0 . 4.44 1097 1014 A 106 TYR HE% A 81 ASN H 1.0 . 7.11 1098 1015 A 82 ASN H A 81 ASN HBy 1.0 . 4.88 1099 1016 A 81 ASN HBy A 98 ASN HD2x 1.0 . 4.39 1100 1017 A 106 TYR HD% A 81 ASN HBy 1.0 . 6.90 1101 1018 A 82 ASN H A 81 ASN HBx 1.0 . 4.53 1102 1019 A 81 ASN HBx A 98 ASN HD2x 1.0 . 3.92 1103 1020 A 106 TYR HD% A 81 ASN HBx 1.0 . 7.90 1104 1021 A 81 ASN HD2x A 98 ASN HA 1.0 . 4.19 1105 1022 A 82 ASN H A 82 ASN HD2y 1.0 . 5.32 1106 1023 A 83 THR H A 82 ASN H 1.0 . 3.77 1107 1024 A 83 THR H A 82 ASN HBy 1.0 . 4.50 1108 1025 A 106 TYR HD% A 82 ASN HD2x 1.0 . 7.40 1109 1026 A 106 TYR HE% A 82 ASN HD2x 1.0 . 6.04 1110 1027 A 83 THR H A 83 THR HB 1.0 . 3.46 1111 1028 A 83 THR H A 84 ILE H 1.0 . 4.86 1112 1029 A 84 ILE H A 83 THR HA 1.0 . 3.34 1113 1030 A 83 THR HA A 84 ILE HB 1.0 . 5.06 1114 1031 A 84 ILE HG1y A 83 THR HA 1.0 . 4.90 1115 1032 A 84 ILE H A 83 THR HB 1.0 . 4.20 1116 1033 A 84 ILE H A 83 THR HG2% 1.0 . 4.99 1117 1034 A 84 ILE HG1x A 83 THR HG2% 1.0 . 5.60 1118 1035 A 84 ILE H A 84 ILE HB 1.0 . 3.40 1119 1036 A 84 ILE H A 84 ILE HG1y 1.0 . 3.61 1120 1037 A 84 ILE H A 84 ILE HG1x 1.0 . 3.79 1121 1038 A 84 ILE HD1% A 84 ILE H 1.0 . 5.42 1122 1039 A 84 ILE HA A 84 ILE HG1x 1.0 . 3.94 1123 1040 A 84 ILE HA A 85 PRO HDy 1.0 . 3.65 1124 1041 A 84 ILE HA A 85 PRO HDx 1.0 . 3.50 1125 1042 A 85 PRO HDy A 84 ILE HB 1.0 . 5.14 1126 1043 A 84 ILE HG2% A 85 PRO HDy 1.0 . 4.82 1127 1044 A 84 ILE HG2% A 85 PRO HDx 1.0 . 5.20 1128 1045 A 85 PRO HDx A 84 ILE HG1x 1.0 . 5.50 1129 1046 A 84 ILE HD1% A 85 PRO HDx 1.0 . 7.10 1130 1047 A 84 ILE HD1% A 113 SER HA 1.0 . 6.10 1131 1048 A 84 ILE HD1% A 113 SER HBy 1.0 . 5.40 1132 1049 A 84 ILE HD1% A 113 SER HBx 1.0 . 5.90 1133 1050 A 86 PRO HA A 87 THR H 1.0 . 3.43 1134 1051 A 87 THR HG2% A 86 PRO HA 1.0 . 4.89 1135 1052 A 89 ALA HB% A 86 PRO HA 1.0 . 5.64 1136 1053 A 87 THR H A 86 PRO HBy 1.0 . 4.43 1137 1054 A 89 ALA HB% A 86 PRO HBy 1.0 . 5.80 1138 1055 A 87 THR H A 86 PRO HBx 1.0 . 4.52 1139 1056 A 86 PRO HBx A 88 SER H 1.0 . 5.17 1140 1057 A 89 ALA H A 86 PRO HBx 1.0 . 4.90 1141 1058 A 89 ALA H A 86 PRO HGx 1.0 . 5.65 1142 1058 A 89 ALA H A 86 PRO HGy 1.0 . 5.65 1143 1059 A 89 ALA HA A 86 PRO HGx 1.0 . 5.61 1144 1059 A 86 PRO HGy A 89 ALA HA 1.0 . 5.61 1145 1060 A 89 ALA HB% A 86 PRO HGx 1.0 . 5.50 1146 1060 A 89 ALA HB% A 86 PRO HGy 1.0 . 5.50 1147 1061 A 89 ALA HB% A 86 PRO HDy 1.0 . 5.61 1148 1062 A 86 PRO HDy A 94 LEU HDy% 1.0 . 6.30 1149 1063 A 89 ALA HB% A 86 PRO HDx 1.0 . 5.24 1150 1064 A 87 THR HG2% A 87 THR H 1.0 . 4.92 1151 1065 A 87 THR H A 88 SER H 1.0 . 4.36 1152 1066 A 89 ALA H A 87 THR H 1.0 . 5.31 1153 1067 A 89 ALA H A 87 THR HA 1.0 . 4.39 1154 1068 A 89 ALA H A 88 SER H 1.0 . 3.91 1155 1069 A 89 ALA HB% A 88 SER HA 1.0 . 6.34 1156 1070 A 89 ALA H A 88 SER HBy 1.0 . 4.89 1157 1071 A 89 ALA H A 90 THR H 1.0 . 4.92 1158 1072 A 90 THR H A 89 ALA HA 1.0 . 3.14 1159 1073 A 90 THR HG2% A 89 ALA HA 1.0 . 6.57 1160 1074 A 89 ALA HB% A 93 GLN HGx 1.0 . 6.25 1161 1074 A 89 ALA HB% A 93 GLN HGy 1.0 . 6.25 1162 1075 A 89 ALA HB% A 94 LEU HA 1.0 . 6.30 1163 1076 A 89 ALA HB% A 94 LEU HBy 1.0 . 6.90 1164 1077 A 90 THR HG2% A 90 THR H 1.0 . 4.66 1165 1078 A 91 MET H A 90 THR H 1.0 . 4.99 1166 1079 A 90 THR H A 93 GLN H 1.0 . 4.77 1167 1080 A 90 THR H A 93 GLN HBy 1.0 . 3.89 1168 1081 A 90 THR H A 93 GLN HBx 1.0 . 4.57 1169 1082 A 90 THR H A 93 GLN HGx 1.0 . 5.41 1170 1082 A 90 THR H A 93 GLN HGy 1.0 . 5.41 1171 1083 A 92 GLY H A 90 THR HA 1.0 . 4.96 1172 1084 A 90 THR HB A 91 MET H 1.0 . 3.61 1173 1085 A 92 GLY H A 90 THR HB 1.0 . 3.87 1174 1086 A 90 THR HB A 93 GLN H 1.0 . 4.45 1175 1087 A 90 THR HG2% A 91 MET H 1.0 . 5.15 1176 1088 A 91 MET HBy A 90 THR HG2% 1.0 . 6.60 1177 1089 A 92 GLY H A 90 THR HG2% 1.0 . 5.84 1178 1090 A 90 THR HG2% A 93 GLN H 1.0 . 5.86 1179 1091 A 91 MET HBy A 91 MET H 1.0 . 3.95 1180 1092 A 91 MET H A 91 MET HGy 1.0 . 3.88 1181 1093 A 91 MET HGx A 91 MET H 1.0 . 4.21 1182 1094 A 91 MET HE% A 91 MET H 1.0 . 5.40 1183 1095 A 91 MET HE% A 91 MET HA 1.0 . 4.17 1184 1096 A 91 MET HA A 94 LEU H 1.0 . 4.38 1185 1097 A 91 MET HA A 94 LEU HDy% 1.0 . 5.48 1186 1098 A 95 TYR H A 91 MET HA 1.0 . 4.71 1187 1099 A 91 MET HBy A 91 MET HE% 1.0 . 4.20 1188 1100 A 91 MET HBy A 92 GLY H 1.0 . 4.70 1189 1101 A 91 MET HE% A 91 MET HBx 1.0 . 3.45 1190 1102 A 92 GLY HAx A 91 MET HBx 1.0 . 5.50 1191 1103 A 91 MET HE% A 91 MET HGx 1.0 . 3.71 1192 1104 A 91 MET HE% A 94 LEU HG 1.0 . 4.60 1193 1105 A 91 MET HE% A 95 TYR H 1.0 . 5.60 1194 1106 A 95 TYR HBy A 91 MET HE% 1.0 . 4.65 1195 1107 A 92 GLY H A 93 GLN H 1.0 . 3.91 1196 1108 A 92 GLY H A 94 LEU H 1.0 . 5.19 1197 1109 A 95 TYR H A 92 GLY H 1.0 . 5.29 1198 1110 A 92 GLY HAy A 95 TYR H 1.0 . 4.89 1199 1111 A 95 TYR HBy A 92 GLY HAy 1.0 . 4.71 1200 1112 A 95 TYR HBx A 92 GLY HAy 1.0 . 4.02 1201 1113 A 92 GLY HAx A 95 TYR H 1.0 . 4.90 1202 1114 A 95 TYR HBy A 92 GLY HAx 1.0 . 5.90 1203 1115 A 95 TYR HBx A 92 GLY HAx 1.0 . 4.91 1204 1116 A 92 GLY HAx A 96 GLU H 1.0 . 5.17 1205 1117 A 93 GLN H A 93 GLN HBy 1.0 . 3.44 1206 1118 A 93 GLN H A 93 GLN HBx 1.0 . 4.05 1207 1119 A 93 GLN H A 93 GLN HGx 1.0 . 4.75 1208 1119 A 93 GLN HGy A 93 GLN H 1.0 . 4.75 1209 1120 A 93 GLN H A 94 LEU H 1.0 . 3.65 1210 1121 A 93 GLN H A 94 LEU HG 1.0 . 4.54 1211 1122 A 95 TYR H A 93 GLN H 1.0 . 4.81 1212 1123 A 96 GLU H A 93 GLN HA 1.0 . 4.53 1213 1124 A 93 GLN HA A 96 GLU HGx 1.0 . 5.50 1214 1124 A 93 GLN HA A 96 GLU HGy 1.0 . 5.50 1215 1125 A 93 GLN HBy A 94 LEU H 1.0 . 4.47 1216 1126 A 93 GLN HBx A 94 LEU H 1.0 . 3.82 1217 1127 A 95 TYR H A 93 GLN HBx 1.0 . 5.50 1218 1128 A 94 LEU H A 93 GLN HGx 1.0 . 5.47 1219 1128 A 93 GLN HGy A 94 LEU H 1.0 . 5.47 1220 1129 A 95 TYR H A 93 GLN HGx 1.0 . 6.60 1221 1129 A 95 TYR H A 93 GLN HGy 1.0 . 6.60 1222 1130 A 94 LEU HBx A 94 LEU H 1.0 . 4.06 1223 1131 A 94 LEU H A 94 LEU HG 1.0 . 3.31 1224 1132 A 94 LEU HDy% A 94 LEU H 1.0 . 5.33 1225 1133 A 95 TYR H A 94 LEU H 1.0 . 3.64 1226 1134 A 98 ASN H A 94 LEU H 1.0 . 5.90 1227 1135 A 94 LEU HA A 94 LEU HDy% 1.0 . 5.10 1228 1136 A 94 LEU HA A 95 TYR HA 1.0 . 5.22 1229 1137 A 94 LEU HA A 97 ASP HBy 1.0 . 4.92 1230 1138 A 94 LEU HA A 97 ASP HBx 1.0 . 4.74 1231 1139 A 94 LEU HA A 98 ASN H 1.0 . 4.76 1232 1140 A 95 TYR H A 94 LEU HBy 1.0 . 4.82 1233 1141 A 95 TYR H A 94 LEU HBx 1.0 . 4.50 1234 1142 A 95 TYR H A 94 LEU HG 1.0 . 3.60 1235 1143 A 94 LEU HG A 95 TYR HA 1.0 . 5.09 1236 1144 A 95 TYR HBy A 94 LEU HG 1.0 . 4.48 1237 1145 A 95 TYR H A 94 LEU HDx% 1.0 . 5.42 1238 1146 A 95 TYR HBy A 95 TYR H 1.0 . 3.50 1239 1147 A 95 TYR HBx A 95 TYR H 1.0 . 3.56 1240 1148 A 95 TYR H A 96 GLU H 1.0 . 4.30 1241 1149 A 95 TYR H A 97 ASP H 1.0 . 5.20 1242 1150 A 95 TYR H A 105 LEU HG 1.0 . 4.60 1243 1151 A 95 TYR HA A 96 GLU HA 1.0 . 5.59 1244 1152 A 98 ASN H A 95 TYR HA 1.0 . 4.61 1245 1153 A 95 TYR HA A 99 HIS H 1.0 . 5.14 1246 1154 A 95 TYR HA A 99 HIS HBx 1.0 . 5.50 1247 1155 A 105 LEU HBx A 95 TYR HA 1.0 . 5.10 1248 1156 A 105 LEU HG A 95 TYR HA 1.0 . 4.09 1249 1157 A 95 TYR HA A 105 LEU HDy% 1.0 . 4.80 1250 1158 A 95 TYR HBy A 96 GLU H 1.0 . 4.18 1251 1159 A 95 TYR HBy A 96 GLU HA 1.0 . 5.88 1252 1160 A 95 TYR HBy A 105 LEU HBy 1.0 . 5.47 1253 1161 A 95 TYR HBy A 105 LEU HG 1.0 . 4.81 1254 1162 A 95 TYR HBx A 96 GLU H 1.0 . 4.55 1255 1163 A 95 TYR HBx A 96 GLU HBx 1.0 . 5.50 1256 1164 A 95 TYR HBx A 105 LEU HG 1.0 . 4.55 1257 1165 A 95 TYR HD% A 96 GLU H 1.0 . 6.75 1258 1166 A 95 TYR HD% A 96 GLU HA 1.0 . 6.15 1259 1167 A 95 TYR HD% A 96 GLU HBx 1.0 . 7.27 1260 1168 A 95 TYR HD% A 96 GLU HGx 1.0 . 8.16 1261 1168 A 95 TYR HD% A 96 GLU HGy 1.0 . 8.16 1262 1169 A 95 TYR HD% A 105 LEU H 1.0 . 7.37 1263 1170 A 95 TYR HD% A 105 LEU HBy 1.0 . 6.80 1264 1171 A 95 TYR HD% A 105 LEU HBx 1.0 . 6.56 1265 1172 A 95 TYR HD% A 105 LEU HG 1.0 . 6.61 1266 1173 A 95 TYR HD% A 105 LEU HDy% 1.0 . 7.90 1267 1174 A 96 GLU H A 96 GLU HBy 1.0 . 3.66 1268 1175 A 96 GLU H A 96 GLU HBx 1.0 . 4.01 1269 1176 A 96 GLU H A 96 GLU HGx 1.0 . 4.89 1270 1176 A 96 GLU H A 96 GLU HGy 1.0 . 4.89 1271 1177 A 96 GLU H A 97 ASP H 1.0 . 3.81 1272 1178 A 97 ASP H A 96 GLU HBy 1.0 . 4.20 1273 1179 A 97 ASP H A 96 GLU HBx 1.0 . 4.07 1274 1180 A 97 ASP H A 96 GLU HGx 1.0 . 5.48 1275 1180 A 96 GLU HGy A 97 ASP H 1.0 . 5.48 1276 1181 A 97 ASP HBy A 97 ASP H 1.0 . 3.68 1277 1182 A 97 ASP HBx A 97 ASP H 1.0 . 3.38 1278 1183 A 98 ASN H A 97 ASP HBy 1.0 . 4.31 1279 1184 A 98 ASN H A 99 HIS H 1.0 . 3.41 1280 1185 A 98 ASN H A 105 LEU HDy% 1.0 . 5.60 1281 1186 A 98 ASN HA A 98 ASN HD2x 1.0 . 4.51 1282 1187 A 99 HIS HA A 98 ASN HBx 1.0 . 5.82 1283 1187 A 98 ASN HBy A 99 HIS HA 1.0 . 5.82 1284 1188 A 105 LEU HG A 98 ASN HBx 1.0 . 5.78 1285 1188 A 98 ASN HBy A 105 LEU HG 1.0 . 5.78 1286 1189 A 105 LEU HDy% A 98 ASN HBx 1.0 . 5.35 1287 1189 A 98 ASN HBy A 105 LEU HDy% 1.0 . 5.35 1288 1190 A 106 TYR H A 98 ASN HBx 1.0 . 6.30 1289 1190 A 98 ASN HBy A 106 TYR H 1.0 . 6.30 1290 1191 A 99 HIS H A 99 HIS HD2 1.0 . 5.50 1291 1192 A 99 HIS H A 105 LEU HDy% 1.0 . 6.41 1292 1193 A 99 HIS HA A 100 GLU HBx 1.0 . 5.58 1293 1193 A 99 HIS HA A 100 GLU HBy 1.0 . 5.58 1294 1194 A 105 LEU HDy% A 99 HIS HA 1.0 . 5.25 1295 1195 A 99 HIS HBy A 100 GLU H 1.0 . 4.32 1296 1196 A 99 HIS HBy A 103 TYR HA 1.0 . 6.00 1297 1197 A 99 HIS HBx A 100 GLU H 1.0 . 4.76 1298 1198 A 99 HIS HD2 A 100 GLU H 1.0 . 5.50 1299 1199 A 100 GLU H A 100 GLU HGy 1.0 . 4.90 1300 1200 A 100 GLU H A 100 GLU HGx 1.0 . 4.60 1301 1201 A 100 GLU H A 103 TYR HA 1.0 . 5.27 1302 1202 A 100 GLU HGx A 100 GLU HA 1.0 . 3.81 1303 1203 A 102 ASP H A 100 GLU HBx 1.0 . 6.00 1304 1203 A 100 GLU HBy A 102 ASP H 1.0 . 6.00 1305 1204 A 101 GLU H A 101 GLU HGx 1.0 . 5.69 1306 1204 A 101 GLU H A 101 GLU HGy 1.0 . 5.69 1307 1205 A 102 ASP H A 101 GLU H 1.0 . 5.09 1308 1206 A 101 GLU HA A 101 GLU HGx 1.0 . 3.91 1309 1206 A 101 GLU HGy A 101 GLU HA 1.0 . 3.91 1310 1207 A 102 ASP H A 101 GLU HBy 1.0 . 4.83 1311 1208 A 102 ASP H A 101 GLU HGx 1.0 . 6.18 1312 1208 A 102 ASP H A 101 GLU HGy 1.0 . 6.18 1313 1209 A 102 ASP HBx A 103 TYR H 1.0 . 4.91 1314 1210 A 102 ASP HBx A 104 PHE HD% 1.0 . 7.42 1315 1211 A 103 TYR H A 104 PHE H 1.0 . 3.86 1316 1212 A 104 PHE HA A 103 TYR HA 1.0 . 5.24 1317 1213 A 103 TYR HBy A 104 PHE HA 1.0 . 5.50 1318 1214 A 103 TYR HBx A 104 PHE H 1.0 . 4.94 1319 1215 A 103 TYR HBx A 104 PHE HA 1.0 . 5.50 1320 1216 A 104 PHE H A 104 PHE HBy 1.0 . 4.10 1321 1217 A 105 LEU H A 104 PHE HBy 1.0 . 5.30 1322 1218 A 105 LEU H A 104 PHE HBx 1.0 . 4.95 1323 1219 A 105 LEU H A 105 LEU HDy% 1.0 . 5.12 1324 1220 A 105 LEU HA A 105 LEU HDx% 1.0 . 5.59 1325 1221 A 105 LEU HDy% A 105 LEU HA 1.0 . 4.55 1326 1222 A 105 LEU HBy A 106 TYR H 1.0 . 5.25 1327 1223 A 105 LEU HBx A 106 TYR H 1.0 . 4.09 1328 1224 A 105 LEU HDy% A 106 TYR H 1.0 . 5.10 1329 1225 A 106 TYR H A 106 TYR HBx 1.0 . 3.94 1330 1226 A 106 TYR HE% A 106 TYR H 1.0 . 7.53 1331 1227 A 106 TYR HA A 107 VAL H 1.0 . 3.47 1332 1228 A 107 VAL H A 106 TYR HBx 1.0 . 4.85 1333 1229 A 106 TYR HD% A 107 VAL H 1.0 . 7.32 1334 1230 A 107 VAL H A 107 VAL HB 1.0 . 4.05 1335 1231 A 108 ALA H A 107 VAL HA 1.0 . 3.54 1336 1232 A 107 VAL HB A 108 ALA H 1.0 . 5.17 1337 1233 A 107 VAL HGy% A 108 ALA H 1.0 . 5.07 1338 1234 A 108 ALA HB% A 107 VAL HGy% 1.0 . 6.90 1339 1235 A 108 ALA HA A 109 TYR H 1.0 . 3.48 1340 1236 A 108 ALA HA A 109 TYR HA 1.0 . 4.77 1341 1237 A 108 ALA HA A 109 TYR HD% 1.0 . 6.72 1342 1238 A 108 ALA HB% A 109 TYR HD% 1.0 . 7.64 1343 1239 A 109 TYR H A 110 SER H 1.0 . 5.19 1344 1240 A 109 TYR HA A 110 SER H 1.0 . 3.30 1345 1241 A 110 SER H A 109 TYR HBy 1.0 . 3.91 1346 1242 A 110 SER H A 109 TYR HBx 1.0 . 4.50 1347 1243 A 110 SER H A 110 SER HBy 1.0 . 4.18 1348 1244 A 110 SER HA A 111 ASP H 1.0 . 3.60 1349 1245 A 110 SER HBy A 111 ASP H 1.0 . 4.75 1350 1246 A 110 SER HBy A 112 GLU H 1.0 . 5.00 1351 1247 A 110 SER HBx A 111 ASP H 1.0 . 4.77 1352 1248 A 110 SER HBx A 112 GLU H 1.0 . 4.50 1353 1249 A 111 ASP H A 112 GLU H 1.0 . 3.35 1354 1250 A 112 GLU H A 111 ASP HBy 1.0 . 5.00 1355 1251 A 111 ASP HBx A 112 GLU H 1.0 . 4.58 1356 1252 A 112 GLU H A 112 GLU HBy 1.0 . 4.09 1357 1253 A 112 GLU H A 112 GLU HBx 1.0 . 3.75 1358 1254 A 112 GLU H A 112 GLU HGy 1.0 . 4.56 1359 1255 A 112 GLU H A 112 GLU HGx 1.0 . 4.70 1360 1256 A 112 GLU H A 113 SER H 1.0 . 4.85 1361 1257 A 112 GLU HA A 112 GLU HGy 1.0 . 3.73 1362 1258 A 112 GLU HA A 112 GLU HGx 1.0 . 3.98 1363 1259 A 112 GLU HA A 113 SER H 1.0 . 3.48 1364 1260 A 113 SER HA A 112 GLU HA 1.0 . 5.20 1365 1261 A 112 GLU HA A 114 VAL HGy% 1.0 . 6.60 1366 1262 A 112 GLU HBy A 113 SER H 1.0 . 4.09 1367 1263 A 112 GLU HBy A 114 VAL HGy% 1.0 . 5.89 1368 1264 A 112 GLU HBx A 113 SER H 1.0 . 4.43 1369 1265 A 114 VAL H A 112 GLU HGy 1.0 . 5.80 1370 1266 A 112 GLU HGy A 114 VAL HGy% 1.0 . 5.75 1371 1267 A 113 SER HBx A 113 SER H 1.0 . 3.97 1372 1268 A 113 SER H A 114 VAL HGy% 1.0 . 6.14 1373 1269 A 113 SER HA A 114 VAL HA 1.0 . 4.85 1374 1270 A 113 SER HBy A 114 VAL H 1.0 . 4.95 1375 1271 A 114 VAL H A 114 VAL HB 1.0 . 3.60 1376 1272 A 114 VAL H A 114 VAL HGy% 1.0 . 4.74 1377 1273 A 114 VAL H A 115 TYR H 1.0 . 4.50 1378 1274 A 114 VAL HA A 115 TYR H 1.0 . 2.95 1379 1275 A 114 VAL HA A 115 TYR HBy 1.0 . 5.60 1380 1276 A 114 VAL HA A 115 TYR HBx 1.0 . 5.18 1381 1277 A 114 VAL HB A 115 TYR H 1.0 . 4.50 1382 1278 A 115 TYR H A 114 VAL HGx% 1.0 . 4.95 1383 1279 A 114 VAL HGy% A 115 TYR H 1.0 . 5.63 1384 1280 A 115 TYR H A 115 TYR HBy 1.0 . 3.77 1385 1281 A 115 TYR H A 115 TYR HBx 1.0 . 3.90 1386 1282 B 724 MET H B 725 GLY H 1.0 . 4.85 1387 1283 B 724 MET HA B 725 GLY HAx 1.0 . 5.84 1388 1283 B 724 MET HA B 725 GLY HAy 1.0 . 5.84 1389 1284 B 725 GLY H B 724 MET HBy 1.0 . 5.50 1390 1285 B 724 MET HBy B 725 GLY HAx 1.0 . 6.24 1391 1285 B 725 GLY HAy B 724 MET HBy 1.0 . 6.24 1392 1286 B 725 GLY H B 726 SER H 1.0 . 5.32 1393 1287 B 727 ALA HA B 726 SER HBx 1.0 . 6.02 1394 1287 B 726 SER HBy B 727 ALA HA 1.0 . 6.02 1395 1288 B 727 ALA H B 728 SER H 1.0 . 4.86 1396 1289 B 730 GLU H B 729 SER HBx 1.0 . 5.28 1397 1290 B 730 GLU H B 730 GLU HGx 1.0 . 5.79 1398 1290 B 730 GLU H B 730 GLU HGy 1.0 . 5.79 1399 1291 B 730 GLU H B 731 ASP H 1.0 . 4.80 1400 1292 B 730 GLU HA B 731 ASP HBx 1.0 . 6.23 1401 1292 B 730 GLU HA B 731 ASP HBy 1.0 . 6.23 1402 1293 B 730 GLU HBy B 731 ASP H 1.0 . 5.48 1403 1294 B 730 GLU HBy B 732 TYR HE% 1.0 . 6.71 1404 1295 B 730 GLU HBx B 731 ASP H 1.0 . 5.50 1405 1296 B 731 ASP H B 730 GLU HGx 1.0 . 6.27 1406 1296 B 730 GLU HGy B 731 ASP H 1.0 . 6.27 1407 1297 B 732 TYR HD% B 730 GLU HGx 1.0 . 7.41 1408 1297 B 730 GLU HGy B 732 TYR HD% 1.0 . 7.41 1409 1298 B 732 TYR HE% B 730 GLU HGx 1.0 . 7.83 1410 1298 B 730 GLU HGy B 732 TYR HE% 1.0 . 7.83 1411 1299 B 731 ASP HA B 732 TYR H 1.0 . 3.60 1412 1300 B 731 ASP HA B 732 TYR HA 1.0 . 5.10 1413 1301 B 731 ASP HA B 732 TYR HBy 1.0 . 4.50 1414 1302 B 732 TYR HD% B 731 ASP HA 1.0 . 6.98 1415 1303 B 732 TYR H B 733 ILE H 1.0 . 5.44 1416 1304 B 732 TYR HA B 733 ILE HB 1.0 . 5.50 1417 1305 B 733 ILE HG2% B 732 TYR HA 1.0 . 6.90 1418 1306 B 732 TYR HBy B 733 ILE H 1.0 . 4.52 1419 1307 B 732 TYR HBx B 733 ILE H 1.0 . 4.49 1420 1308 B 732 TYR HD% B 734 ILE HD1% 1.0 . 8.80 1421 1309 B 733 ILE H B 733 ILE HG1x 1.0 . 6.40 1422 1309 B 733 ILE HG1y B 733 ILE H 1.0 . 6.40 1423 1310 B 733 ILE HD1% B 733 ILE H 1.0 . 6.60 1424 1311 B 734 ILE HD1% B 733 ILE H 1.0 . 6.60 1425 1312 B 733 ILE HA B 734 ILE HB 1.0 . 5.43 1426 1313 B 733 ILE HG2% B 734 ILE H 1.0 . 5.55 1427 1314 B 733 ILE HG2% B 735 ILE H 1.0 . 6.60 1428 1315 B 733 ILE HG2% B 735 ILE HB 1.0 . 6.53 1429 1316 B 733 ILE HG2% B 735 ILE HD1% 1.0 . 6.30 1430 1317 B 733 ILE HD1% B 734 ILE H 1.0 . 6.60 1431 1318 B 734 ILE HG1y B 734 ILE H 1.0 . 4.90 1432 1319 B 734 ILE HG1x B 734 ILE H 1.0 . 5.50 1433 1320 B 734 ILE HD1% B 734 ILE H 1.0 . 5.89 1434 1321 B 735 ILE HB B 734 ILE HA 1.0 . 5.50 1435 1322 B 735 ILE HG2% B 734 ILE HA 1.0 . 6.30 1436 1323 B 734 ILE HB B 735 ILE H 1.0 . 5.50 1437 1324 B 734 ILE HG2% B 735 ILE H 1.0 . 5.79 1438 1325 B 734 ILE HG2% B 735 ILE HA 1.0 . 5.54 1439 1326 B 734 ILE HG2% B 736 LEU HDx% 1.0 . 5.75 1440 1327 B 734 ILE HG2% B 736 LEU HDy% 1.0 . 6.35 1441 1328 B 734 ILE HG1y B 735 ILE H 1.0 . 5.50 1442 1329 B 734 ILE HD1% B 735 ILE H 1.0 . 6.59 1443 1330 B 735 ILE HG1y B 735 ILE H 1.0 . 5.50 1444 1331 B 735 ILE HG1x B 735 ILE H 1.0 . 5.38 1445 1332 B 735 ILE HD1% B 735 ILE H 1.0 . 6.60 1446 1333 B 735 ILE HA B 736 LEU HDx% 1.0 . 7.10 1447 1334 B 735 ILE HG2% B 736 LEU H 1.0 . 6.17 1448 1335 B 735 ILE HG2% B 736 LEU HA 1.0 . 6.42 1449 1336 B 735 ILE HD1% B 736 LEU H 1.0 . 6.60 1450 1337 B 735 ILE HD1% B 736 LEU HA 1.0 . 7.10 1451 1338 B 736 LEU H B 736 LEU HG 1.0 . 5.36 1452 1339 B 736 LEU HDx% B 736 LEU H 1.0 . 5.84 1453 1340 B 736 LEU HDy% B 736 LEU H 1.0 . 6.43 1454 1341 B 736 LEU H B 737 PRO HDx 1.0 . 4.74 1455 1341 B 736 LEU H B 737 PRO HDy 1.0 . 4.74 1456 1342 B 736 LEU HDx% B 736 LEU HA 1.0 . 4.80 1457 1343 B 736 LEU HDy% B 736 LEU HA 1.0 . 5.82 1458 1344 B 736 LEU HA B 737 PRO HBy 1.0 . 5.90 1459 1345 B 736 LEU HA B 737 PRO HBx 1.0 . 5.50 1460 1346 B 736 LEU HA B 737 PRO HDx 1.0 . 3.50 1461 1346 B 736 LEU HA B 737 PRO HDy 1.0 . 3.50 1462 1347 B 736 LEU HBy B 737 PRO HDx 1.0 . 4.80 1463 1347 B 736 LEU HBy B 737 PRO HDy 1.0 . 4.80 1464 1348 B 736 LEU HBx B 737 PRO HDx 1.0 . 5.19 1465 1348 B 736 LEU HBx B 737 PRO HDy 1.0 . 5.19 1466 1349 B 736 LEU HDx% B 737 PRO HA 1.0 . 6.30 1467 1350 B 736 LEU HDx% B 737 PRO HDx 1.0 . 6.10 1468 1350 B 736 LEU HDx% B 737 PRO HDy 1.0 . 6.10 1469 1351 B 736 LEU HDy% B 737 PRO HDx 1.0 . 7.20 1470 1351 B 736 LEU HDy% B 737 PRO HDy 1.0 . 7.20 1471 1352 B 737 PRO HA B 738 GLU H 1.0 . 3.26 1472 1353 B 737 PRO HA B 739 SER H 1.0 . 5.50 1473 1354 B 737 PRO HBy B 739 SER H 1.0 . 5.50 1474 1355 B 737 PRO HBx B 738 GLU H 1.0 . 4.75 1475 1356 B 737 PRO HBx B 739 SER H 1.0 . 4.55 1476 1357 B 738 GLU H B 738 GLU HBx 1.0 . 3.77 1477 1358 B 738 GLU H B 738 GLU HGx 1.0 . 5.17 1478 1358 B 738 GLU H B 738 GLU HGy 1.0 . 5.17 1479 1359 B 738 GLU H B 739 SER H 1.0 . 4.05 1480 1360 B 739 SER H B 738 GLU HBy 1.0 . 4.69 1481 1361 B 738 GLU HBy B 739 SER HA 1.0 . 5.50 1482 1362 B 739 SER H B 738 GLU HGx 1.0 . 5.92 1483 1362 B 739 SER H B 738 GLU HGy 1.0 . 5.92 1484 1363 B 739 SER H B 739 SER HBx 1.0 . 4.15 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 4 GLN O A 8 ASP N 1.0 . 3.1 2 2 A 4 GLN O A 8 ASP H 1.0 . 2.1 3 3 A 11 PHE O A 15 LYS N 1.0 . 3.1 4 4 A 15 LYS H A 11 PHE O 1.0 . 2.1 5 5 A 12 GLU O A 16 LYS N 1.0 . 3.1 6 6 A 16 LYS H A 12 GLU O 1.0 . 2.1 7 7 A 13 TYR O A 17 GLU N 1.0 . 3.1 8 8 A 17 GLU H A 13 TYR O 1.0 . 2.1 9 9 A 14 ARG O A 18 GLY N 1.0 . 3.1 10 10 A 18 GLY H A 14 ARG O 1.0 . 2.1 11 11 A 15 LYS O A 19 GLU N 1.0 . 3.1 12 12 A 19 GLU H A 15 LYS O 1.0 . 2.1 13 13 A 16 LYS O A 20 LYS N 1.0 . 3.1 14 14 A 20 LYS H A 16 LYS O 1.0 . 2.1 15 15 A 17 GLU O A 21 ILE N 1.0 . 3.1 16 16 A 17 GLU O A 21 ILE H 1.0 . 2.1 17 17 A 18 GLY O A 22 ARG N 1.0 . 3.1 18 18 A 18 GLY O A 22 ARG H 1.0 . 2.1 19 19 A 19 GLU O A 23 LYS N 1.0 . 3.1 20 20 A 23 LYS H A 19 GLU O 1.0 . 2.1 21 21 A 20 LYS O A 24 LYS N 1.0 . 3.1 22 22 A 24 LYS H A 20 LYS O 1.0 . 2.1 23 23 A 57 VAL O A 61 TYR N 1.0 . 3.1 24 24 A 61 TYR H A 57 VAL O 1.0 . 2.1 25 25 A 58 GLY O A 62 PHE N 1.0 . 3.1 26 26 A 62 PHE H A 58 GLY O 1.0 . 2.1 27 27 A 59 GLN O A 63 LEU N 1.0 . 3.1 28 28 A 63 LEU H A 59 GLN O 1.0 . 2.1 29 29 A 60 PHE O A 64 ILE N 1.0 . 3.1 30 30 A 64 ILE H A 60 PHE O 1.0 . 2.1 31 31 A 61 TYR O A 65 ARG N 1.0 . 3.1 32 32 A 65 ARG H A 61 TYR O 1.0 . 2.1 33 33 A 62 PHE O A 66 LYS N 1.0 . 3.1 34 34 A 66 LYS H A 62 PHE O 1.0 . 2.1 35 35 A 63 LEU O A 67 ARG N 1.0 . 3.1 36 36 A 67 ARG H A 63 LEU O 1.0 . 2.1 37 37 A 64 ILE O A 68 ILE N 1.0 . 3.1 38 38 A 68 ILE H A 64 ILE O 1.0 . 2.1 39 39 A 91 MET O A 95 TYR N 1.0 . 3.1 40 40 A 95 TYR H A 91 MET O 1.0 . 2.1 41 41 A 92 GLY O A 96 GLU N 1.0 . 3.1 42 42 A 96 GLU H A 92 GLY O 1.0 . 2.1 43 43 A 93 GLN O A 97 ASP N 1.0 . 3.1 44 44 A 97 ASP H A 93 GLN O 1.0 . 2.1 45 45 A 94 LEU O A 98 ASN N 1.0 . 3.1 46 46 A 98 ASN H A 94 LEU O 1.0 . 2.1 47 47 A 105 LEU O A 32 ILE N 1.0 . 3.1 48 48 A 32 ILE H A 105 LEU O 1.0 . 2.1 49 49 A 107 VAL O A 34 GLU N 1.0 . 3.1 50 50 A 34 GLU H A 107 VAL O 1.0 . 2.1 51 51 A 109 TYR O A 36 ALA N 1.0 . 3.1 52 52 A 36 ALA H A 109 TYR O 1.0 . 2.1 53 53 A 89 ALA O A 57 VAL N 1.0 . 3.1 54 54 A 57 VAL H A 89 ALA O 1.0 . 2.1 55 55 A 110 SER O A 77 PHE N 1.0 . 3.1 56 56 A 77 PHE H A 110 SER O 1.0 . 2.1 57 57 A 30 PRO O A 105 LEU N 1.0 . 3.1 58 58 A 105 LEU H A 30 PRO O 1.0 . 2.1 59 59 A 32 ILE O A 107 VAL N 1.0 . 3.1 60 60 A 107 VAL H A 32 ILE O 1.0 . 2.1 61 61 A 34 GLU O A 109 TYR N 1.0 . 3.1 62 62 A 109 TYR H A 34 GLU O 1.0 . 2.1 63 63 A 79 PHE O A 108 ALA N 1.0 . 3.1 64 64 A 108 ALA H A 79 PHE O 1.0 . 2.1 65 65 A 77 PHE O A 110 SER N 1.0 . 3.1 66 66 A 110 SER H A 77 PHE O 1.0 . 2.1 67 67 A 31 VAL O A 49 TYR N 1.0 . 3.1 68 68 A 49 TYR H A 31 VAL O 1.0 . 2.1 69 69 A 29 VAL O A 51 VAL N 1.0 . 3.1 70 70 A 51 VAL H A 29 VAL O 1.0 . 2.1 71 71 A 27 ASP O A 53 SER N 1.0 . 3.1 72 72 A 53 SER H A 27 ASP O 1.0 . 2.1 73 73 A 51 VAL O A 29 VAL N 1.0 . 3.1 74 74 A 29 VAL H A 51 VAL O 1.0 . 2.1 75 75 A 49 TYR O A 31 VAL N 1.0 . 3.1 76 76 A 31 VAL H A 49 TYR O 1.0 . 2.1 77 77 A 47 ARG O A 33 VAL N 1.0 . 3.1 78 78 A 33 VAL H A 47 ARG O 1.0 . 2.1 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _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 2 LYS C A 3 PHE N A 3 PHE CA A 3 PHE C 1.0 -128.00 -56.00 PHI 2 2 A 3 PHE N A 3 PHE CA A 3 PHE C A 4 GLN N 1.0 122.00 173.00 PSI 3 3 A 3 PHE C A 4 GLN N A 4 GLN CA A 4 GLN C 1.0 -98.00 -56.00 PHI 4 4 A 4 GLN N A 4 GLN CA A 4 GLN C A 5 TYR N 1.0 -47.00 -23.00 PSI 5 5 A 4 GLN C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 -103.00 -51.00 PHI 6 6 A 5 TYR N A 5 TYR CA A 5 TYR C A 6 LYS N 1.0 -36.00 -28.00 PSI 7 7 A 5 TYR C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -103.00 -55.00 PHI 8 8 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 GLU N 1.0 -56.00 -28.00 PSI 9 9 A 6 LYS C A 7 GLU N A 7 GLU CA A 7 GLU C 1.0 -103.00 -55.00 PHI 10 10 A 7 GLU N A 7 GLU CA A 7 GLU C A 8 ASP N 1.0 -66.00 -3.00 PSI 11 11 A 7 GLU C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -103.00 -55.00 PHI 12 12 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 HIS N 1.0 -56.00 -28.00 PSI 13 13 A 8 ASP C A 9 HIS N A 9 HIS CA A 9 HIS C 1.0 -103.00 -55.00 PHI 14 14 A 9 HIS N A 9 HIS CA A 9 HIS C A 10 PRO N 1.0 -59.00 -28.00 PSI 15 15 A 10 PRO C A 11 PHE N A 11 PHE CA A 11 PHE C 1.0 -65.00 -51.00 PHI 16 16 A 11 PHE N A 11 PHE CA A 11 PHE C A 12 GLU N 1.0 -52.00 -32.00 PSI 17 17 A 11 PHE C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -75.00 -51.00 PHI 18 18 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 TYR N 1.0 -55.00 -26.00 PSI 19 19 A 12 GLU C A 13 TYR N A 13 TYR CA A 13 TYR C 1.0 -82.00 -58.00 PHI 20 20 A 13 TYR N A 13 TYR CA A 13 TYR C A 14 ARG N 1.0 -51.00 -5.00 PSI 21 21 A 13 TYR C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -69.00 -55.00 PHI 22 22 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 LYS N 1.0 -41.00 -21.00 PSI 23 23 A 14 ARG C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -73.00 -57.00 PHI 24 24 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 LYS N 1.0 -51.00 -27.00 PSI 25 25 A 15 LYS C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -75.00 -53.00 PHI 26 26 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 GLU N 1.0 -53.00 -17.00 PSI 27 27 A 16 LYS C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -69.00 -63.00 PHI 28 28 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 GLY N 1.0 -49.00 -33.00 PSI 29 29 A 17 GLU C A 18 GLY N A 18 GLY CA A 18 GLY C 1.0 -66.00 -60.00 PHI 30 30 A 18 GLY N A 18 GLY CA A 18 GLY C A 19 GLU N 1.0 -46.00 -38.00 PSI 31 31 A 18 GLY C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -76.00 -56.00 PHI 32 32 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 LYS N 1.0 -53.00 -29.00 PSI 33 33 A 19 GLU C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -84.00 -68.00 PHI 34 34 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 ILE N 1.0 -46.00 -24.00 PSI 35 35 A 20 LYS C A 21 ILE N A 21 ILE CA A 21 ILE C 1.0 -106.00 -62.00 PHI 36 36 A 21 ILE N A 21 ILE CA A 21 ILE C A 22 ARG N 1.0 -28.00 4.00 PSI 37 37 A 21 ILE C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -91.00 -55.00 PHI 38 38 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 LYS N 1.0 -51.00 -15.00 PSI 39 39 A 22 ARG C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -79.00 -63.00 PHI 40 40 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 LYS N 1.0 -47.00 -17.00 PSI 41 41 A 23 LYS C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -88.00 -64.00 PHI 42 42 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 TYR N 1.0 -45.00 -13.00 PSI 43 43 A 24 LYS C A 25 TYR N A 25 TYR CA A 25 TYR C 1.0 -134.00 -102.00 PHI 44 44 A 25 TYR N A 25 TYR CA A 25 TYR C A 26 PRO N 1.0 64.00 126.00 PSI 45 45 A 27 ASP C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -156.00 -112.00 PHI 46 46 A 28 ARG N A 28 ARG CA A 28 ARG C A 29 VAL N 1.0 130.00 160.00 PSI 47 47 A 28 ARG C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -146.00 -106.00 PHI 48 48 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 PRO N 1.0 103.00 159.00 PSI 49 49 A 30 PRO N A 30 PRO CA A 30 PRO C A 31 VAL N 1.0 128.00 156.00 PSI 50 50 A 30 PRO C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -141.00 -115.00 PHI 51 51 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 ILE N 1.0 131.00 169.00 PSI 52 52 A 31 VAL C A 32 ILE N A 32 ILE CA A 32 ILE C 1.0 -129.00 -97.00 PHI 53 53 A 32 ILE N A 32 ILE CA A 32 ILE C A 33 VAL N 1.0 109.00 135.00 PSI 54 54 A 32 ILE C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -131.00 -93.00 PHI 55 55 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 GLU N 1.0 120.00 152.00 PSI 56 56 A 33 VAL C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -144.00 -116.00 PHI 57 57 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 LYS N 1.0 138.00 162.00 PSI 58 58 A 34 GLU C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -113.00 -87.00 PHI 59 59 A 35 LYS N A 35 LYS CA A 35 LYS C A 36 ALA N 1.0 111.00 139.00 PSI 60 60 A 35 LYS C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -138.00 -92.00 PHI 61 61 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 PRO N 1.0 127.00 165.00 PSI 62 62 A 38 LYS C A 39 ALA N A 39 ALA CA A 39 ALA C 1.0 -126.00 -60.00 PHI 63 63 A 39 ALA N A 39 ALA CA A 39 ALA C A 40 ARG N 1.0 122.00 162.00 PSI 64 64 A 40 ARG C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -134.00 -86.00 PHI 65 65 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 PRO N 1.0 130.00 156.00 PSI 66 66 A 42 PRO N A 42 PRO CA A 42 PRO C A 43 ASP N 1.0 141.00 157.00 PSI 67 67 A 42 PRO C A 43 ASP N A 43 ASP CA A 43 ASP C 1.0 -134.00 -86.00 PHI 68 68 A 43 ASP N A 43 ASP CA A 43 ASP C A 44 LEU N 1.0 130.00 165.00 PSI 69 69 A 43 ASP C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -134.00 -86.00 PHI 70 70 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 ASP N 1.0 130.00 156.00 PSI 71 71 A 46 LYS C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -126.00 -92.00 PHI 72 72 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 LYS N 1.0 -50.00 20.00 PSI 73 73 A 47 ARG C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -143.00 -59.00 PHI 74 74 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 TYR N 1.0 125.00 157.00 PSI 75 75 A 48 LYS C A 49 TYR N A 49 TYR CA A 49 TYR C 1.0 -135.00 -117.00 PHI 76 76 A 49 TYR N A 49 TYR CA A 49 TYR C A 50 LEU N 1.0 130.00 172.00 PSI 77 77 A 49 TYR C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -143.00 -69.00 PHI 78 78 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 VAL N 1.0 118.00 162.00 PSI 79 79 A 50 LEU C A 51 VAL N A 51 VAL CA A 51 VAL C 1.0 -150.00 -58.00 PHI 80 80 A 51 VAL N A 51 VAL CA A 51 VAL C A 52 PRO N 1.0 143.00 173.00 PSI 81 81 A 53 SER C A 54 ASP N A 54 ASP CA A 54 ASP C 1.0 -104.00 -26.00 PHI 82 82 A 54 ASP N A 54 ASP CA A 54 ASP C A 55 LEU N 1.0 -50.00 25.00 PSI 83 83 A 56 THR C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -65.00 -50.00 PHI 84 84 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 GLY N 1.0 -43.00 -33.00 PSI 85 85 A 57 VAL C A 58 GLY N A 58 GLY CA A 58 GLY C 1.0 -69.00 -51.00 PHI 86 86 A 58 GLY N A 58 GLY CA A 58 GLY C A 59 GLN N 1.0 -44.00 -34.00 PSI 87 87 A 58 GLY C A 59 GLN N A 59 GLN CA A 59 GLN C 1.0 -70.00 -58.00 PHI 88 88 A 59 GLN N A 59 GLN CA A 59 GLN C A 60 PHE N 1.0 -46.00 -36.00 PSI 89 89 A 59 GLN C A 60 PHE N A 60 PHE CA A 60 PHE C 1.0 -69.00 -59.00 PHI 90 90 A 60 PHE N A 60 PHE CA A 60 PHE C A 61 TYR N 1.0 -46.00 -36.00 PSI 91 91 A 60 PHE C A 61 TYR N A 61 TYR CA A 61 TYR C 1.0 -67.00 -59.00 PHI 92 92 A 61 TYR N A 61 TYR CA A 61 TYR C A 62 PHE N 1.0 -46.00 -32.00 PSI 93 93 A 61 TYR C A 62 PHE N A 62 PHE CA A 62 PHE C 1.0 -65.00 -59.00 PHI 94 94 A 62 PHE N A 62 PHE CA A 62 PHE C A 63 LEU N 1.0 -49.00 -39.00 PSI 95 95 A 62 PHE C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -70.00 -56.00 PHI 96 96 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 ILE N 1.0 -53.00 -33.00 PSI 97 97 A 63 LEU C A 64 ILE N A 64 ILE CA A 64 ILE C 1.0 -75.00 -61.00 PHI 98 98 A 64 ILE N A 64 ILE CA A 64 ILE C A 65 ARG N 1.0 -56.00 -34.00 PSI 99 99 A 64 ILE C A 65 ARG N A 65 ARG CA A 65 ARG C 1.0 -65.00 -50.00 PHI 100 100 A 65 ARG N A 65 ARG CA A 65 ARG C A 66 LYS N 1.0 -51.00 -39.00 PSI 101 101 A 65 ARG C A 66 LYS N A 66 LYS CA A 66 LYS C 1.0 -67.00 -61.00 PHI 102 102 A 66 LYS N A 66 LYS CA A 66 LYS C A 67 ARG N 1.0 -49.00 -37.00 PSI 103 103 A 66 LYS C A 67 ARG N A 67 ARG CA A 67 ARG C 1.0 -74.00 -62.00 PHI 104 104 A 67 ARG N A 67 ARG CA A 67 ARG C A 68 ILE N 1.0 -44.00 -24.00 PSI 105 105 A 67 ARG C A 68 ILE N A 68 ILE CA A 68 ILE C 1.0 -99.00 -73.00 PHI 106 106 A 68 ILE N A 68 ILE CA A 68 ILE C A 69 HIS N 1.0 -12.00 18.00 PSI 107 107 A 69 HIS C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -120.00 -56.00 PHI 108 108 A 70 LEU N A 70 LEU CA A 70 LEU C A 71 ARG N 1.0 110.00 155.00 PSI 109 109 A 70 LEU C A 71 ARG N A 71 ARG CA A 71 ARG C 1.0 -118.00 -60.00 PHI 110 110 A 71 ARG N A 71 ARG CA A 71 ARG C A 72 PRO N 1.0 99.00 165.00 PSI 111 111 A 72 PRO N A 72 PRO CA A 72 PRO C A 73 GLU N 1.0 -45.00 -21.00 PSI 112 112 A 72 PRO C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -83.00 -59.00 PHI 113 113 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 ASP N 1.0 -30.00 -6.00 PSI 114 114 A 73 GLU C A 74 ASP N A 74 ASP CA A 74 ASP C 1.0 -124.00 -66.00 PHI 115 115 A 74 ASP N A 74 ASP CA A 74 ASP C A 75 ALA N 1.0 120.00 156.00 PSI 116 116 A 75 ALA C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -163.00 -95.00 PHI 117 117 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 PHE N 1.0 124.00 150.00 PSI 118 118 A 76 LEU C A 77 PHE N A 77 PHE CA A 77 PHE C 1.0 -144.00 -106.00 PHI 119 119 A 77 PHE N A 77 PHE CA A 77 PHE C A 78 PHE N 1.0 121.00 150.00 PSI 120 120 A 77 PHE C A 78 PHE N A 78 PHE CA A 78 PHE C 1.0 -139.00 -105.00 PHI 121 121 A 78 PHE N A 78 PHE CA A 78 PHE C A 79 PHE N 1.0 134.00 154.00 PSI 122 122 A 78 PHE C A 79 PHE N A 79 PHE CA A 79 PHE C 1.0 -139.00 -119.00 PHI 123 123 A 79 PHE N A 79 PHE CA A 79 PHE C A 80 VAL N 1.0 120.00 156.00 PSI 124 124 A 79 PHE C A 80 VAL N A 80 VAL CA A 80 VAL C 1.0 -143.00 -93.00 PHI 125 125 A 80 VAL N A 80 VAL CA A 80 VAL C A 81 ASN N 1.0 123.00 165.00 PSI 126 126 A 82 ASN C A 83 THR N A 83 THR CA A 83 THR C 1.0 -147.00 -105.00 PHI 127 127 A 83 THR N A 83 THR CA A 83 THR C A 84 ILE N 1.0 131.00 153.00 PSI 128 128 A 86 PRO C A 87 THR N A 87 THR CA A 87 THR C 1.0 -69.00 -55.00 PHI 129 129 A 87 THR N A 87 THR CA A 87 THR C A 88 SER N 1.0 -41.00 -15.00 PSI 130 130 A 87 THR C A 88 SER N A 88 SER CA A 88 SER C 1.0 -96.00 -72.00 PHI 131 131 A 88 SER N A 88 SER CA A 88 SER C A 89 ALA N 1.0 -22.00 -2.00 PSI 132 132 A 91 MET C A 92 GLY N A 92 GLY CA A 92 GLY C 1.0 -71.00 -55.00 PHI 133 133 A 92 GLY N A 92 GLY CA A 92 GLY C A 93 GLN N 1.0 -48.00 -26.00 PSI 134 134 A 92 GLY C A 93 GLN N A 93 GLN CA A 93 GLN C 1.0 -69.00 -59.00 PHI 135 135 A 93 GLN N A 93 GLN CA A 93 GLN C A 94 LEU N 1.0 -51.00 -39.00 PSI 136 136 A 93 GLN C A 94 LEU N A 94 LEU CA A 94 LEU C 1.0 -69.00 -59.00 PHI 137 137 A 94 LEU N A 94 LEU CA A 94 LEU C A 95 TYR N 1.0 -47.00 -35.00 PSI 138 138 A 94 LEU C A 95 TYR N A 95 TYR CA A 95 TYR C 1.0 -63.00 -59.00 PHI 139 139 A 95 TYR N A 95 TYR CA A 95 TYR C A 96 GLU N 1.0 -50.00 -36.00 PSI 140 140 A 95 TYR C A 96 GLU N A 96 GLU CA A 96 GLU C 1.0 -69.00 -55.00 PHI 141 141 A 96 GLU N A 96 GLU CA A 96 GLU C A 97 ASP N 1.0 -48.00 -30.00 PSI 142 142 A 96 GLU C A 97 ASP N A 97 ASP CA A 97 ASP C 1.0 -97.00 -69.00 PHI 143 143 A 97 ASP N A 97 ASP CA A 97 ASP C A 98 ASN N 1.0 -42.00 -22.00 PSI 144 144 A 97 ASP C A 98 ASN N A 98 ASN CA A 98 ASN C 1.0 -113.00 -89.00 PHI 145 145 A 98 ASN N A 98 ASN CA A 98 ASN C A 99 HIS N 1.0 -26.00 0.00 PSI 146 146 A 99 HIS C A 100 GLU N A 100 GLU CA A 100 GLU C 1.0 -124.00 -66.00 PHI 147 147 A 100 GLU N A 100 GLU CA A 100 GLU C A 101 GLU N 1.0 130.00 176.00 PSI 148 148 A 100 GLU C A 101 GLU N A 101 GLU CA A 101 GLU C 1.0 -134.00 -76.00 PHI 149 149 A 101 GLU C A 102 ASP N A 102 ASP CA A 102 ASP C 1.0 -104.00 -26.00 PHI 150 150 A 102 ASP N A 102 ASP CA A 102 ASP C A 103 TYR N 1.0 -50.00 25.00 PSI 151 151 A 103 TYR C A 104 PHE N A 104 PHE CA A 104 PHE C 1.0 -139.00 -101.00 PHI 152 152 A 104 PHE N A 104 PHE CA A 104 PHE C A 105 LEU N 1.0 129.00 153.00 PSI 153 153 A 104 PHE C A 105 LEU N A 105 LEU CA A 105 LEU C 1.0 -149.00 -111.00 PHI 154 154 A 105 LEU N A 105 LEU CA A 105 LEU C A 106 TYR N 1.0 129.00 153.00 PSI 155 155 A 105 LEU C A 106 TYR N A 106 TYR CA A 106 TYR C 1.0 -106.00 -72.00 PHI 156 156 A 106 TYR N A 106 TYR CA A 106 TYR C A 107 VAL N 1.0 115.00 141.00 PSI 157 157 A 106 TYR C A 107 VAL N A 107 VAL CA A 107 VAL C 1.0 -136.00 -96.00 PHI 158 158 A 107 VAL N A 107 VAL CA A 107 VAL C A 108 ALA N 1.0 128.00 145.00 PSI 159 159 A 107 VAL C A 108 ALA N A 108 ALA CA A 108 ALA C 1.0 -134.00 -114.00 PHI 160 160 A 108 ALA N A 108 ALA CA A 108 ALA C A 109 TYR N 1.0 124.00 152.00 PSI 161 161 A 108 ALA C A 109 TYR N A 109 TYR CA A 109 TYR C 1.0 -138.00 -120.00 PHI 162 162 A 109 TYR N A 109 TYR CA A 109 TYR C A 110 SER N 1.0 129.00 151.00 PSI 163 163 A 109 TYR C A 110 SER N A 110 SER CA A 110 SER C 1.0 -158.00 -114.00 PHI 164 164 A 110 SER N A 110 SER CA A 110 SER C A 111 ASP N 1.0 115.00 161.00 PSI 165 165 A 111 ASP C A 112 GLU N A 112 GLU CA A 112 GLU C 1.0 -140.00 -92.00 PHI 166 166 A 112 GLU N A 112 GLU CA A 112 GLU C A 113 SER N 1.0 127.00 157.00 PSI 167 167 A 112 GLU C A 113 SER N A 113 SER CA A 113 SER C 1.0 -75.00 -67.00 PHI 168 168 A 113 SER N A 113 SER CA A 113 SER C A 114 VAL N 1.0 100.00 160.00 PSI 169 169 A 113 SER C A 114 VAL N A 114 VAL CA A 114 VAL C 1.0 -158.00 -78.00 PHI 170 170 A 114 VAL N A 114 VAL CA A 114 VAL C A 115 TYR N 1.0 114.00 152.00 PSI 171 171 A 114 VAL C A 115 TYR N A 115 TYR CA A 115 TYR C 1.0 -98.00 -20.00 PHI 172 172 B 722 GLY C B 723 ALA N B 723 ALA CA B 723 ALA C 1.0 -147.04 -42.90 PHI 173 173 B 723 ALA N B 723 ALA CA B 723 ALA C B 724 MET N 1.0 102.83 209.65 PSI 174 174 B 723 ALA C B 724 MET N B 724 MET CA B 724 MET C 1.0 -122.49 -39.17 PHI 175 175 B 724 MET N B 724 MET CA B 724 MET C B 725 GLY N 1.0 101.62 187.90 PSI 176 176 B 724 MET C B 725 GLY N B 725 GLY CA B 725 GLY C 1.0 -140.99 -52.29 PHI 177 177 B 725 GLY N B 725 GLY CA B 725 GLY C B 726 SER N 1.0 -31.80 58.26 PSI 178 178 B 725 GLY C B 726 SER N B 726 SER CA B 726 SER C 1.0 -140.43 -77.95 PHI 179 179 B 726 SER N B 726 SER CA B 726 SER C B 727 ALA N 1.0 126.48 192.22 PSI 180 180 B 726 SER C B 727 ALA N B 727 ALA CA B 727 ALA C 1.0 -125.74 -42.42 PHI 181 181 B 727 ALA N B 727 ALA CA B 727 ALA C B 728 SER N 1.0 -46.52 39.76 PSI 182 182 B 727 ALA C B 728 SER N B 728 SER CA B 728 SER C 1.0 -134.90 -51.58 PHI 183 183 B 728 SER N B 728 SER CA B 728 SER C B 729 SER N 1.0 113.28 199.56 PSI 184 184 B 728 SER C B 729 SER N B 729 SER CA B 729 SER C 1.0 -133.38 -50.06 PHI 185 185 B 729 SER N B 729 SER CA B 729 SER C B 730 GLU N 1.0 88.76 175.04 PSI 186 186 B 729 SER C B 730 GLU N B 730 GLU CA B 730 GLU C 1.0 -134.28 -50.96 PHI 187 187 B 730 GLU N B 730 GLU CA B 730 GLU C B 731 ASP N 1.0 107.38 193.66 PSI 188 188 B 730 GLU C B 731 ASP N B 731 ASP CA B 731 ASP C 1.0 -136.07 -52.75 PHI 189 189 B 731 ASP N B 731 ASP CA B 731 ASP C B 732 TYR N 1.0 107.38 163.66 PSI 190 190 B 731 ASP C B 732 TYR N B 732 TYR CA B 732 TYR C 1.0 -158.02 -98.54 PHI 191 191 B 732 TYR N B 732 TYR CA B 732 TYR C B 733 ILE N 1.0 126.04 191.78 PSI 192 192 B 732 TYR C B 733 ILE N B 733 ILE CA B 733 ILE C 1.0 -158.04 -85.56 PHI 193 193 B 733 ILE N B 733 ILE CA B 733 ILE C B 734 ILE N 1.0 95.74 164.48 PSI 194 194 B 733 ILE C B 734 ILE N B 734 ILE CA B 734 ILE C 1.0 -139.64 -77.16 PHI 195 195 B 734 ILE N B 734 ILE CA B 734 ILE C B 735 ILE N 1.0 93.95 159.69 PSI 196 196 B 734 ILE C B 735 ILE N B 735 ILE CA B 735 ILE C 1.0 -150.74 -78.26 PHI 197 197 B 735 ILE N B 735 ILE CA B 735 ILE C B 736 LEU N 1.0 82.02 157.76 PSI 198 198 B 735 ILE C B 736 LEU N B 736 LEU CA B 736 LEU C 1.0 -165.85 -79.37 PHI 199 199 B 736 LEU N B 736 LEU CA B 736 LEU C B 737 PRO N 1.0 81.46 155.20 PSI 200 200 B 737 PRO N B 737 PRO CA B 737 PRO C B 738 GLU N 1.0 70.80 180.56 PSI 201 201 B 737 PRO C B 738 GLU N B 738 GLU CA B 738 GLU C 1.0 -116.69 -33.37 PHI 202 202 B 738 GLU N B 738 GLU CA B 738 GLU C B 739 SER N 1.0 -57.64 28.64 PSI stop_ save_