data_nef_c16164_2kep 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 39 MET start . . 2 A 40 SER middle . . 3 A 41 ARG middle . . 4 A 42 PRO middle . false 5 A 43 ASP middle . . 6 A 44 GLN middle . . 7 A 45 ALA middle . . 8 A 46 LYS middle . . 9 A 47 VAL middle . . 10 A 48 THR middle . . 11 A 49 VAL middle . . 12 A 50 ALA middle . . 13 A 51 LYS middle . . 14 A 52 GLY middle . false 15 A 53 ASP middle . . 16 A 54 ILE middle . . 17 A 55 LYS middle . . 18 A 56 ALA middle . . 19 A 57 ILE middle . . 20 A 58 ALA middle . . 21 A 59 ALA middle . . 22 A 60 ALA middle . . 23 A 61 LEU middle . . 24 A 62 ASP middle . . 25 A 63 MET middle . . 26 A 64 TYR middle . . 27 A 65 LYS middle . . 28 A 66 LEU middle . . 29 A 67 ASP middle . . 30 A 68 ASN middle . . 31 A 69 PHE middle . . 32 A 70 ALA middle . . 33 A 71 TYR middle . . 34 A 72 PRO middle . false 35 A 73 SER middle . . 36 A 74 THR middle . . 37 A 75 GLN middle . . 38 A 76 GLN middle . . 39 A 77 GLY middle . false 40 A 78 LEU middle . . 41 A 79 GLU middle . . 42 A 80 ALA middle . . 43 A 81 LEU middle . . 44 A 82 VAL middle . . 45 A 83 LYS middle . . 46 A 84 LYS middle . . 47 A 85 PRO middle . false 48 A 86 THR middle . . 49 A 87 GLY middle . false 50 A 88 ASN middle . . 51 A 89 PRO middle . false 52 A 90 GLN middle . . 53 A 91 PRO middle . false 54 A 92 LYS middle . . 55 A 93 ASN middle . . 56 A 94 TRP middle . . 57 A 95 ASN middle . . 58 A 96 LYS middle . . 59 A 97 ASP middle . . 60 A 98 GLY middle . false 61 A 99 TYR middle . . 62 A 100 LEU middle . . 63 A 101 LYS middle . . 64 A 102 LYS middle . . 65 A 103 LEU middle . . 66 A 104 PRO middle . false 67 A 105 VAL middle . . 68 A 106 ASP middle . . 69 A 107 PRO middle . false 70 A 108 TRP middle . . 71 A 109 GLY middle . false 72 A 110 ASN middle . . 73 A 111 PRO middle . false 74 A 112 TYR middle . . 75 A 113 GLN middle . . 76 A 114 TYR middle . . 77 A 115 LEU middle . . 78 A 116 ALA middle . . 79 A 117 PRO middle . false 80 A 118 GLY middle . false 81 A 119 THR middle . . 82 A 120 LYS middle . . 83 A 121 GLY middle . false 84 A 122 PRO middle . false 85 A 123 PHE middle . . 86 A 124 ASP middle . . 87 A 125 LEU middle . . 88 A 126 TYR middle . . 89 A 127 SER middle . . 90 A 128 LEU middle . . 91 A 129 GLY middle . false 92 A 130 ALA middle . . 93 A 131 ASP middle . . 94 A 132 GLY middle . false 95 A 133 LYS middle . . 96 A 134 GLU middle . . 97 A 135 GLY middle . false 98 A 136 GLY middle . false 99 A 137 SER middle . . 100 A 138 ASP middle . . 101 A 139 ASN middle . . 102 A 140 ASP middle . . 103 A 141 ALA middle . . 104 A 142 ASP middle . . 105 A 143 ILE middle . . 106 A 144 GLY middle . false 107 A 145 ASN middle . . 108 A 146 TRP middle . . 109 A 147 ASP middle . . 110 A 148 ASN 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 39 MET H1 H 1 8.371 0.020 A 39 MET HA H 1 4.354 0.020 A 39 MET HBx H 1 1.895 0.020 A 39 MET HBy H 1 1.895 0.020 A 39 MET HGx H 1 2.436 0.020 A 39 MET HGy H 1 2.436 0.020 A 39 MET C C 13 173.308 0.400 A 39 MET CA C 13 52.749 0.400 A 39 MET CB C 13 30.876 0.400 A 39 MET N N 15 124.538 0.400 A 40 SER H H 1 8.461 0.020 A 40 SER HA H 1 4.286 0.020 A 40 SER HBx H 1 3.734 0.020 A 40 SER HBy H 1 3.734 0.020 A 40 SER C C 13 171.276 0.400 A 40 SER CA C 13 55.249 0.400 A 40 SER CB C 13 61.498 0.400 A 40 SER N N 15 118.344 0.400 A 41 ARG H H 1 8.469 0.020 A 41 ARG HA H 1 4.400 0.020 A 41 ARG HBx H 1 1.648 0.020 A 41 ARG HBy H 1 1.648 0.020 A 41 ARG HGx H 1 1.749 0.020 A 41 ARG HGy H 1 1.749 0.020 A 41 ARG C C 13 172.251 0.400 A 41 ARG CA C 13 52.749 0.400 A 41 ARG CB C 13 27.126 0.400 A 41 ARG N N 15 123.070 0.400 A 42 PRO HBy H 1 2.166 0.020 A 42 PRO HBx H 1 1.763 0.020 A 42 PRO HDx H 1 3.627 0.020 A 42 PRO HDy H 1 3.627 0.020 A 42 PRO CA C 13 61.498 0.400 A 42 PRO CB C 13 29.001 0.400 A 42 PRO CD C 13 47.749 0.400 A 42 PRO CG C 13 24.626 0.400 A 43 ASP H H 1 8.246 0.020 A 43 ASP HA H 1 4.329 0.020 A 43 ASP HBy H 1 2.881 0.020 A 43 ASP HBx H 1 2.787 0.020 A 43 ASP C C 13 174.605 0.400 A 43 ASP CA C 13 53.374 0.400 A 43 ASP CB C 13 38.375 0.400 A 43 ASP N N 15 119.409 0.400 A 44 GLN H H 1 8.309 0.020 A 44 GLN HA H 1 4.393 0.020 A 44 GLN HBx H 1 2.177 0.020 A 44 GLN HBy H 1 2.177 0.020 A 44 GLN HE2x H 1 6.487 0.020 A 44 GLN HE2y H 1 6.687 0.020 A 44 GLN HGx H 1 2.346 0.020 A 44 GLN HGy H 1 2.346 0.020 A 44 GLN C C 13 175.053 0.400 A 44 GLN CA C 13 55.874 0.400 A 44 GLN CB C 13 25.876 0.400 A 44 GLN CG C 13 31.501 0.400 A 44 GLN N N 15 122.273 0.400 A 44 GLN NE2 N 15 109.494 0.400 A 45 ALA H H 1 8.106 0.020 A 45 ALA HA H 1 3.993 0.020 A 45 ALA HB% H 1 1.304 0.020 A 45 ALA C C 13 177.465 0.400 A 45 ALA CA C 13 52.124 0.400 A 45 ALA CB C 13 15.252 0.400 A 45 ALA N N 15 122.204 0.400 A 46 LYS H H 1 7.527 0.020 A 46 LYS HA H 1 3.539 0.020 A 46 LYS HBx H 1 1.658 0.020 A 46 LYS HBy H 1 1.658 0.020 A 46 LYS HDx H 1 1.412 0.020 A 46 LYS HDy H 1 1.412 0.020 A 46 LYS HEx H 1 2.571 0.020 A 46 LYS HEy H 1 2.571 0.020 A 46 LYS HGx H 1 0.728 0.020 A 46 LYS HGy H 1 0.728 0.020 A 46 LYS C C 13 175.412 0.400 A 46 LYS CA C 13 57.124 0.400 A 46 LYS CB C 13 30.876 0.400 A 46 LYS CE C 13 39.625 0.400 A 46 LYS CG C 13 23.376 0.400 A 46 LYS N N 15 117.358 0.400 A 47 VAL H H 1 7.709 0.020 A 47 VAL HA H 1 3.578 0.020 A 47 VAL HB H 1 2.151 0.020 A 47 VAL HGx% H 1 0.903 0.020 A 47 VAL HGy% H 1 1.138 0.020 A 47 VAL C C 13 175.005 0.400 A 47 VAL CA C 13 64.623 0.400 A 47 VAL CB C 13 29.001 0.400 A 47 VAL CG1 C 13 17.751 0.400 A 47 VAL CG2 C 13 20.876 0.400 A 47 VAL N N 15 119.115 0.400 A 48 THR H H 1 7.767 0.020 A 48 THR HA H 1 3.668 0.020 A 48 THR HB H 1 4.148 0.020 A 48 THR HG2% H 1 1.082 0.020 A 48 THR CA C 13 63.998 0.400 A 48 THR CB C 13 67.123 0.400 A 48 THR CG2 C 13 19.001 0.400 A 48 THR N N 15 115.112 0.400 A 49 VAL H H 1 7.598 0.020 A 49 VAL HA H 1 3.457 0.020 A 49 VAL HB H 1 1.855 0.020 A 49 VAL HGx% H 1 0.733 0.020 A 49 VAL HGy% H 1 0.839 0.020 A 49 VAL C C 13 175.412 0.400 A 49 VAL CA C 13 63.998 0.400 A 49 VAL CB C 13 29.001 0.400 A 49 VAL CG1 C 13 20.876 0.400 A 49 VAL CG2 C 13 18.376 0.400 A 49 VAL N N 15 123.694 0.400 A 50 ALA H H 1 8.176 0.020 A 50 ALA HA H 1 4.742 0.020 A 50 ALA HB% H 1 1.581 0.020 A 50 ALA C C 13 177.074 0.400 A 50 ALA CA C 13 52.124 0.400 A 50 ALA CB C 13 15.252 0.400 A 50 ALA N N 15 122.348 0.400 A 51 LYS H H 1 8.499 0.020 A 51 LYS HA H 1 3.648 0.020 A 51 LYS HBx H 1 1.755 0.020 A 51 LYS HBy H 1 1.755 0.020 A 51 LYS HDx H 1 1.640 0.020 A 51 LYS HDy H 1 1.640 0.020 A 51 LYS HEx H 1 2.706 0.020 A 51 LYS HEy H 1 2.706 0.020 A 51 LYS HGx H 1 0.755 0.020 A 51 LYS HGy H 1 0.755 0.020 A 51 LYS C C 13 177.252 0.400 A 51 LYS CA C 13 58.072 0.400 A 51 LYS CB C 13 30.251 0.400 A 51 LYS N N 15 115.402 0.400 A 52 GLY H H 1 7.858 0.020 A 52 GLY HAy H 1 3.823 0.020 A 52 GLY HAx H 1 3.676 0.020 A 52 GLY C C 13 174.090 0.400 A 52 GLY CA C 13 44.625 0.400 A 52 GLY N N 15 107.466 0.400 A 53 ASP H H 1 8.403 0.020 A 53 ASP HA H 1 4.191 0.020 A 53 ASP HBx H 1 3.034 0.020 A 53 ASP HBy H 1 3.034 0.020 A 53 ASP C C 13 175.316 0.400 A 53 ASP CA C 13 54.624 0.400 A 53 ASP CB C 13 35.875 0.400 A 53 ASP N N 15 125.929 0.400 A 54 ILE H H 1 8.245 0.020 A 54 ILE HA H 1 3.034 0.020 A 54 ILE HB H 1 1.652 0.020 A 54 ILE HD1% H 1 0.572 0.020 A 54 ILE HG1x H 1 1.490 0.020 A 54 ILE HG1y H 1 1.490 0.020 A 54 ILE HG2% H 1 0.627 0.020 A 54 ILE C C 13 174.499 0.400 A 54 ILE CA C 13 62.748 0.400 A 54 ILE CB C 13 34.625 0.400 A 54 ILE CD1 C 13 13.377 0.400 A 54 ILE CG1 C 13 28.376 0.400 A 54 ILE CG2 C 13 14.002 0.400 A 54 ILE N N 15 119.456 0.400 A 55 LYS H H 1 7.547 0.020 A 55 LYS HA H 1 3.843 0.020 A 55 LYS HBx H 1 1.770 0.020 A 55 LYS HBy H 1 1.770 0.020 A 55 LYS HDx H 1 1.428 0.020 A 55 LYS HDy H 1 1.428 0.020 A 55 LYS HGx H 1 0.623 0.020 A 55 LYS HGy H 1 0.623 0.020 A 55 LYS C C 13 176.651 0.400 A 55 LYS CA C 13 57.124 0.400 A 55 LYS CB C 13 30.251 0.400 A 55 LYS N N 15 118.505 0.400 A 56 ALA H H 1 7.680 0.020 A 56 ALA HA H 1 4.029 0.020 A 56 ALA HB% H 1 1.369 0.020 A 56 ALA C C 13 176.638 0.400 A 56 ALA CA C 13 52.749 0.400 A 56 ALA CB C 13 15.877 0.400 A 56 ALA N N 15 122.477 0.400 A 57 ILE H H 1 8.853 0.020 A 57 ILE HA H 1 3.304 0.020 A 57 ILE HB H 1 1.374 0.020 A 57 ILE HD1% H 1 0.032 0.020 A 57 ILE HG1x H 1 1.628 0.020 A 57 ILE HG1y H 1 1.628 0.020 A 57 ILE HG2% H 1 0.453 0.020 A 57 ILE C C 13 174.710 0.400 A 57 ILE CA C 13 63.373 0.400 A 57 ILE CB C 13 35.250 0.400 A 57 ILE CD1 C 13 10.877 0.400 A 57 ILE CG1 C 13 25.876 0.400 A 57 ILE CG2 C 13 17.126 0.400 A 57 ILE N N 15 120.901 0.400 A 58 ALA H H 1 8.702 0.020 A 58 ALA HA H 1 3.900 0.020 A 58 ALA HB% H 1 1.525 0.020 A 58 ALA C C 13 176.512 0.400 A 58 ALA CA C 13 52.749 0.400 A 58 ALA CB C 13 15.252 0.400 A 58 ALA N N 15 121.763 0.400 A 59 ALA H H 1 7.662 0.020 A 59 ALA HA H 1 4.136 0.020 A 59 ALA HB% H 1 1.407 0.020 A 59 ALA C C 13 177.949 0.400 A 59 ALA CA C 13 52.749 0.400 A 59 ALA CB C 13 15.252 0.400 A 59 ALA N N 15 119.079 0.400 A 60 ALA H H 1 7.403 0.020 A 60 ALA HA H 1 4.318 0.020 A 60 ALA HB% H 1 1.393 0.020 A 60 ALA C C 13 176.730 0.400 A 60 ALA CA C 13 52.749 0.400 A 60 ALA CB C 13 17.126 0.400 A 60 ALA N N 15 122.616 0.400 A 61 LEU H H 1 8.410 0.020 A 61 LEU HA H 1 3.527 0.020 A 61 LEU HBx H 1 1.812 0.020 A 61 LEU HBy H 1 1.812 0.020 A 61 LEU HDx% H 1 -0.308 0.020 A 61 LEU HDy% H 1 0.000 0.020 A 61 LEU HG H 1 1.140 0.020 A 61 LEU C C 13 176.057 0.400 A 61 LEU CA C 13 55.249 0.400 A 61 LEU CB C 13 39.000 0.400 A 61 LEU CD1 C 13 23.376 0.400 A 61 LEU CD2 C 13 21.501 0.400 A 61 LEU CG C 13 24.001 0.400 A 61 LEU N N 15 120.761 0.400 A 62 ASP H H 1 8.227 0.020 A 62 ASP HA H 1 4.581 0.020 A 62 ASP HBx H 1 2.779 0.020 A 62 ASP HBy H 1 2.779 0.020 A 62 ASP C C 13 176.968 0.400 A 62 ASP CA C 13 55.874 0.400 A 62 ASP CB C 13 37.750 0.400 A 62 ASP N N 15 119.068 0.400 A 63 MET H H 1 7.718 0.020 A 63 MET HA H 1 4.196 0.020 A 63 MET HBy H 1 2.400 0.020 A 63 MET HBx H 1 2.173 0.020 A 63 MET HGx H 1 1.661 0.020 A 63 MET HGy H 1 1.661 0.020 A 63 MET C C 13 174.968 0.400 A 63 MET CA C 13 55.249 0.400 A 63 MET CB C 13 29.626 0.400 A 63 MET CG C 13 37.750 0.400 A 63 MET N N 15 121.365 0.400 A 64 TYR H H 1 8.401 0.020 A 64 TYR HA H 1 4.400 0.020 A 64 TYR HBx H 1 1.682 0.020 A 64 TYR HBy H 1 1.682 0.020 A 64 TYR HD1 H 1 6.590 0.020 A 64 TYR HD2 H 1 6.590 0.020 A 64 TYR HE1 H 1 6.832 0.020 A 64 TYR HE2 H 1 6.832 0.020 A 64 TYR HH H 1 9.625 0.020 A 64 TYR C C 13 176.098 0.400 A 64 TYR CA C 13 58.999 0.400 A 64 TYR CB C 13 35.250 0.400 A 64 TYR N N 15 122.575 0.400 A 65 LYS H H 1 8.330 0.020 A 65 LYS HA H 1 3.568 0.020 A 65 LYS HBx H 1 1.490 0.020 A 65 LYS HDx H 1 0.820 0.020 A 65 LYS HDy H 1 0.820 0.020 A 65 LYS HGx H 1 0.369 0.020 A 65 LYS HGy H 1 0.369 0.020 A 65 LYS C C 13 176.156 0.400 A 65 LYS CA C 13 56.499 0.400 A 65 LYS CB C 13 29.626 0.400 A 65 LYS CG C 13 22.126 0.400 A 65 LYS N N 15 121.390 0.400 A 66 LEU H H 1 7.833 0.020 A 66 LEU HA H 1 3.769 0.020 A 66 LEU HBx H 1 1.638 0.020 A 66 LEU HBy H 1 1.638 0.020 A 66 LEU HDx% H 1 0.743 0.020 A 66 LEU HDy% H 1 0.743 0.020 A 66 LEU HG H 1 1.532 0.020 A 66 LEU C C 13 175.925 0.400 A 66 LEU CA C 13 55.874 0.400 A 66 LEU CB C 13 38.375 0.400 A 66 LEU CD1 C 13 20.876 0.400 A 66 LEU CD2 C 13 20.876 0.400 A 66 LEU CG C 13 24.001 0.400 A 66 LEU N N 15 123.068 0.400 A 67 ASP H H 1 7.292 0.020 A 67 ASP HA H 1 4.096 0.020 A 67 ASP HBy H 1 2.578 0.020 A 67 ASP HBx H 1 2.348 0.020 A 67 ASP C C 13 174.618 0.400 A 67 ASP CA C 13 53.999 0.400 A 67 ASP CB C 13 38.375 0.400 A 67 ASP N N 15 114.729 0.400 A 68 ASN H H 1 8.097 0.020 A 68 ASN HA H 1 4.337 0.020 A 68 ASN HBx H 1 2.274 0.020 A 68 ASN HBy H 1 2.274 0.020 A 68 ASN HD2y H 1 7.361 0.020 A 68 ASN HD2x H 1 6.821 0.020 A 68 ASN C C 13 172.822 0.400 A 68 ASN CA C 13 52.124 0.400 A 68 ASN CB C 13 37.750 0.400 A 68 ASN N N 15 111.054 0.400 A 68 ASN ND2 N 15 112.192 0.400 A 69 PHE H H 1 8.249 0.020 A 69 PHE HA H 1 4.135 0.020 A 69 PHE HBx H 1 3.267 0.020 A 69 PHE HBy H 1 3.267 0.020 A 69 PHE HD1 H 1 7.002 0.020 A 69 PHE HD2 H 1 7.002 0.020 A 69 PHE HE1 H 1 7.162 0.020 A 69 PHE HE2 H 1 7.162 0.020 A 69 PHE HZ H 1 7.108 0.020 A 69 PHE C C 13 170.485 0.400 A 69 PHE CA C 13 57.749 0.400 A 69 PHE CB C 13 33.375 0.400 A 69 PHE N N 15 116.277 0.400 A 70 ALA H H 1 7.224 0.020 A 70 ALA HA H 1 4.194 0.020 A 70 ALA HB% H 1 1.266 0.020 A 70 ALA C C 13 173.337 0.400 A 70 ALA CA C 13 48.374 0.400 A 70 ALA CB C 13 19.626 0.400 A 70 ALA N N 15 119.914 0.400 A 71 TYR H H 1 7.948 0.020 A 71 TYR HA H 1 4.209 0.020 A 71 TYR HBy H 1 3.158 0.020 A 71 TYR HBx H 1 2.158 0.020 A 71 TYR HD1 H 1 6.908 0.020 A 71 TYR HD2 H 1 6.908 0.020 A 71 TYR HE1 H 1 6.705 0.020 A 71 TYR HE2 H 1 6.705 0.020 A 71 TYR C C 13 170.591 0.400 A 71 TYR CA C 13 54.624 0.400 A 71 TYR CB C 13 34.000 0.400 A 71 TYR N N 15 116.929 0.400 A 72 PRO HA H 1 4.444 0.020 A 72 PRO HBy H 1 1.658 0.020 A 72 PRO HBx H 1 1.380 0.020 A 72 PRO C C 13 174.775 0.400 A 72 PRO CA C 13 59.624 0.400 A 72 PRO CB C 13 28.376 0.400 A 73 SER H H 1 8.721 0.020 A 73 SER HA H 1 4.467 0.020 A 73 SER HBx H 1 3.953 0.020 A 73 SER HBy H 1 3.953 0.020 A 73 SER C C 13 173.271 0.400 A 73 SER CA C 13 55.249 0.400 A 73 SER CB C 13 63.373 0.400 A 73 SER N N 15 118.284 0.400 A 74 THR H H 1 8.591 0.020 A 74 THR HA H 1 3.649 0.020 A 74 THR HB H 1 4.028 0.020 A 74 THR HG2% H 1 1.259 0.020 A 74 THR CA C 13 64.623 0.400 A 74 THR CB C 13 66.498 0.400 A 74 THR CG2 C 13 20.251 0.400 A 74 THR N N 15 117.769 0.400 A 75 GLN H H 1 8.210 0.020 A 75 GLN HA H 1 3.860 0.020 A 75 GLN HBy H 1 1.930 0.020 A 75 GLN HBx H 1 1.811 0.020 A 75 GLN HE2x H 1 6.802 0.020 A 75 GLN HE2y H 1 7.484 0.020 A 75 GLN HGx H 1 2.281 0.020 A 75 GLN HGy H 1 2.281 0.020 A 75 GLN C C 13 175.349 0.400 A 75 GLN CA C 13 56.499 0.400 A 75 GLN CB C 13 25.876 0.400 A 75 GLN CG C 13 32.125 0.400 A 75 GLN N N 15 117.931 0.400 A 75 GLN NE2 N 15 112.231 0.400 A 76 GLN H H 1 7.667 0.020 A 76 GLN HA H 1 3.810 0.020 A 76 GLN HBy H 1 2.310 0.020 A 76 GLN HBx H 1 1.581 0.020 A 76 GLN HE2x H 1 6.819 0.020 A 76 GLN HE2y H 1 7.361 0.020 A 76 GLN HGy H 1 1.951 0.020 A 76 GLN HGx H 1 1.788 0.020 A 76 GLN C C 13 175.805 0.400 A 76 GLN CA C 13 55.874 0.400 A 76 GLN CB C 13 25.876 0.400 A 76 GLN CG C 13 31.501 0.400 A 76 GLN N N 15 120.607 0.400 A 76 GLN NE2 N 15 111.546 0.400 A 77 GLY H H 1 8.470 0.020 A 77 GLY HAy H 1 3.920 0.020 A 77 GLY HAx H 1 3.603 0.020 A 77 GLY C C 13 169.006 0.400 A 77 GLY CA C 13 42.125 0.400 A 77 GLY N N 15 103.281 0.400 A 78 LEU H H 1 8.135 0.020 A 78 LEU HA H 1 3.237 0.020 A 78 LEU HBy H 1 1.487 0.020 A 78 LEU HBx H 1 1.017 0.020 A 78 LEU HDx% H 1 0.616 0.020 A 78 LEU HDy% H 1 -0.161 0.020 A 78 LEU HG H 1 1.269 0.020 A 78 LEU C C 13 176.383 0.400 A 78 LEU CA C 13 52.749 0.400 A 78 LEU CB C 13 39.000 0.400 A 78 LEU CD1 C 13 22.751 0.400 A 78 LEU CD2 C 13 19.626 0.400 A 78 LEU CG C 13 23.376 0.400 A 78 LEU N N 15 114.444 0.400 A 79 GLU H H 1 8.578 0.020 A 79 GLU HA H 1 3.720 0.020 A 79 GLU HBx H 1 1.884 0.020 A 79 GLU HBy H 1 1.884 0.020 A 79 GLU HGx H 1 2.296 0.020 A 79 GLU HGy H 1 2.296 0.020 A 79 GLU C C 13 175.093 0.400 A 79 GLU CA C 13 57.124 0.400 A 79 GLU CB C 13 26.501 0.400 A 79 GLU CG C 13 33.375 0.400 A 79 GLU N N 15 118.295 0.400 A 80 ALA H H 1 7.227 0.020 A 80 ALA HA H 1 4.437 0.020 A 80 ALA HB% H 1 1.177 0.020 A 80 ALA C C 13 173.745 0.400 A 80 ALA CA C 13 51.499 0.400 A 80 ALA CB C 13 15.877 0.400 A 80 ALA N N 15 119.751 0.400 A 81 LEU H H 1 7.932 0.020 A 81 LEU HA H 1 4.369 0.020 A 81 LEU HBx H 1 1.909 0.020 A 81 LEU HBy H 1 1.909 0.020 A 81 LEU HDx% H 1 0.553 0.020 A 81 LEU HDy% H 1 0.291 0.020 A 81 LEU HG H 1 1.369 0.020 A 81 LEU C C 13 174.788 0.400 A 81 LEU CA C 13 53.374 0.400 A 81 LEU CB C 13 39.625 0.400 A 81 LEU CD1 C 13 24.001 0.400 A 81 LEU CD2 C 13 19.001 0.400 A 81 LEU CG C 13 24.626 0.400 A 81 LEU N N 15 111.742 0.400 A 82 VAL H H 1 7.886 0.020 A 82 VAL HA H 1 4.700 0.020 A 82 VAL HB H 1 2.180 0.020 A 82 VAL HGx% H 1 0.744 0.020 A 82 VAL HGy% H 1 0.744 0.020 A 82 VAL C C 13 172.875 0.400 A 82 VAL CA C 13 59.624 0.400 A 82 VAL CB C 13 31.501 0.400 A 82 VAL CG1 C 13 19.001 0.400 A 82 VAL CG2 C 13 19.001 0.400 A 82 VAL N N 15 113.604 0.400 A 83 LYS H H 1 8.361 0.020 A 83 LYS HA H 1 4.251 0.020 A 83 LYS HBx H 1 1.395 0.020 A 83 LYS HBy H 1 1.395 0.020 A 83 LYS HDx H 1 1.480 0.020 A 83 LYS HDy H 1 1.480 0.020 A 83 LYS HGx H 1 1.133 0.020 A 83 LYS HGy H 1 1.133 0.020 A 83 LYS C C 13 171.053 0.400 A 83 LYS CA C 13 52.749 0.400 A 83 LYS CB C 13 33.375 0.400 A 83 LYS CD C 13 27.751 0.400 A 83 LYS CE C 13 40.250 0.400 A 83 LYS CG C 13 23.376 0.400 A 83 LYS N N 15 123.860 0.400 A 84 LYS H H 1 7.243 0.020 A 84 LYS HA H 1 2.175 0.020 A 84 LYS HBx H 1 0.897 0.020 A 84 LYS HBy H 1 0.897 0.020 A 84 LYS HDx H 1 0.134 0.020 A 84 LYS HDy H 1 0.134 0.020 A 84 LYS HEx H 1 1.397 0.020 A 84 LYS HEy H 1 1.397 0.020 A 84 LYS HGx H 1 0.386 0.020 A 84 LYS HGy H 1 0.386 0.020 A 84 LYS C C 13 172.123 0.400 A 84 LYS CA C 13 52.749 0.400 A 84 LYS CB C 13 29.626 0.400 A 84 LYS CD C 13 29.626 0.400 A 84 LYS CG C 13 22.126 0.400 A 84 LYS N N 15 128.615 0.400 A 85 PRO HA H 1 4.470 0.020 A 85 PRO HBy H 1 2.041 0.020 A 85 PRO HBx H 1 1.947 0.020 A 85 PRO C C 13 173.754 0.400 A 85 PRO CA C 13 60.874 0.400 A 85 PRO CB C 13 30.876 0.400 A 85 PRO CD C 13 48.374 0.400 A 85 PRO CG C 13 24.626 0.400 A 86 THR H H 1 8.306 0.020 A 86 THR HA H 1 4.287 0.020 A 86 THR HB H 1 4.079 0.020 A 86 THR HG2% H 1 0.977 0.020 A 86 THR C C 13 173.070 0.400 A 86 THR CA C 13 57.749 0.400 A 86 THR CB C 13 67.748 0.400 A 86 THR CG2 C 13 19.001 0.400 A 86 THR N N 15 109.564 0.400 A 87 GLY H H 1 8.317 0.020 A 87 GLY HAy H 1 3.851 0.020 A 87 GLY HAx H 1 3.678 0.020 A 87 GLY C C 13 169.693 0.400 A 87 GLY CA C 13 42.125 0.400 A 87 GLY N N 15 109.071 0.400 A 88 ASN H H 1 8.301 0.020 A 88 ASN HA H 1 4.780 0.020 A 88 ASN HBy H 1 2.584 0.020 A 88 ASN HBx H 1 2.458 0.020 A 88 ASN HD2y H 1 7.568 0.020 A 88 ASN HD2x H 1 6.925 0.020 A 88 ASN C C 13 171.370 0.400 A 88 ASN CA C 13 47.749 0.400 A 88 ASN CB C 13 37.125 0.400 A 88 ASN N N 15 115.631 0.400 A 88 ASN ND2 N 15 113.939 0.400 A 89 PRO HA H 1 4.782 0.020 A 89 PRO HBy H 1 2.171 0.020 A 89 PRO HBx H 1 1.946 0.020 A 89 PRO C C 13 173.656 0.400 A 89 PRO CA C 13 59.624 0.400 A 89 PRO CB C 13 31.501 0.400 A 89 PRO CD C 13 47.749 0.400 A 89 PRO CG C 13 25.251 0.400 A 90 GLN H H 1 9.076 0.020 A 90 GLN HA H 1 4.469 0.020 A 90 GLN HBx H 1 1.834 0.020 A 90 GLN HBy H 1 1.834 0.020 A 90 GLN HE2y H 1 7.709 0.020 A 90 GLN HE2x H 1 6.882 0.020 A 90 GLN HGy H 1 2.250 0.020 A 90 GLN HGx H 1 2.099 0.020 A 90 GLN C C 13 172.386 0.400 A 90 GLN CA C 13 50.874 0.400 A 90 GLN CB C 13 26.501 0.400 A 90 GLN CG C 13 31.501 0.400 A 90 GLN N N 15 126.827 0.400 A 90 GLN NE2 N 15 113.103 0.400 A 91 PRO HA H 1 4.384 0.020 A 91 PRO HBx H 1 3.019 0.020 A 91 PRO HBy H 1 3.019 0.020 A 91 PRO C C 13 174.274 0.400 A 91 PRO CB C 13 28.113 0.400 A 92 LYS H H 1 8.401 0.020 A 92 LYS HA H 1 3.984 0.020 A 92 LYS HBx H 1 1.759 0.020 A 92 LYS HBy H 1 1.759 0.020 A 92 LYS HDx H 1 1.589 0.020 A 92 LYS HDy H 1 1.589 0.020 A 92 LYS HEx H 1 2.824 0.020 A 92 LYS HEy H 1 2.824 0.020 A 92 LYS HGx H 1 1.298 0.020 A 92 LYS HGy H 1 1.298 0.020 A 92 LYS C C 13 173.516 0.400 A 92 LYS CA C 13 55.249 0.400 A 92 LYS CB C 13 30.876 0.400 A 92 LYS CG C 13 22.751 0.400 A 92 LYS N N 15 124.538 0.400 A 93 ASN H H 1 8.183 0.020 A 93 ASN HA H 1 4.716 0.020 A 93 ASN HBy H 1 2.423 0.020 A 93 ASN HBx H 1 2.102 0.020 A 93 ASN HD2x H 1 6.794 0.020 A 93 ASN HD2y H 1 7.204 0.020 A 93 ASN CA C 13 48.999 0.400 A 93 ASN CB C 13 35.875 0.400 A 93 ASN N N 15 118.677 0.400 A 93 ASN ND2 N 15 112.402 0.400 A 94 TRP H H 1 8.007 0.020 A 94 TRP HA H 1 3.827 0.020 A 94 TRP HBy H 1 3.223 0.020 A 94 TRP HBx H 1 2.689 0.020 A 94 TRP HD1 H 1 6.867 0.020 A 94 TRP HE1 H 1 10.914 0.020 A 94 TRP HE3 H 1 7.042 0.020 A 94 TRP HH2 H 1 6.549 0.020 A 94 TRP HZ2 H 1 6.588 0.020 A 94 TRP C C 13 173.760 0.400 A 94 TRP CA C 13 59.624 0.400 A 94 TRP CB C 13 27.126 0.400 A 94 TRP N N 15 122.195 0.400 A 94 TRP NE1 N 15 128.870 0.400 A 95 ASN H H 1 7.563 0.020 A 95 ASN HA H 1 3.735 0.020 A 95 ASN HBy H 1 1.828 0.020 A 95 ASN HBx H 1 1.052 0.020 A 95 ASN HD2x H 1 6.433 0.020 A 95 ASN HD2y H 1 7.411 0.020 A 95 ASN C C 13 171.952 0.400 A 95 ASN CA C 13 51.499 0.400 A 95 ASN CB C 13 35.250 0.400 A 95 ASN N N 15 129.659 0.400 A 95 ASN ND2 N 15 112.571 0.400 A 96 LYS H H 1 8.110 0.020 A 96 LYS HA H 1 4.035 0.020 A 96 LYS HBx H 1 1.727 0.020 A 96 LYS HBy H 1 1.727 0.020 A 96 LYS HDx H 1 1.524 0.020 A 96 LYS HDy H 1 1.524 0.020 A 96 LYS HGx H 1 1.328 0.020 A 96 LYS HGy H 1 1.328 0.020 A 96 LYS C C 13 174.530 0.400 A 96 LYS CA C 13 56.499 0.400 A 96 LYS CB C 13 29.626 0.400 A 96 LYS CD C 13 28.376 0.400 A 96 LYS CE C 13 40.250 0.400 A 96 LYS CG C 13 22.126 0.400 A 96 LYS N N 15 123.913 0.400 A 97 ASP H H 1 7.903 0.020 A 97 ASP HA H 1 4.393 0.020 A 97 ASP HBy H 1 2.450 0.020 A 97 ASP HBx H 1 2.048 0.020 A 97 ASP C C 13 173.724 0.400 A 97 ASP CA C 13 52.124 0.400 A 97 ASP CB C 13 38.375 0.400 A 97 ASP N N 15 118.773 0.400 A 98 GLY H H 1 7.819 0.020 A 98 GLY HAx H 1 3.917 0.020 A 98 GLY HAy H 1 3.917 0.020 A 98 GLY C C 13 168.652 0.400 A 98 GLY CA C 13 41.500 0.400 A 98 GLY N N 15 108.742 0.400 A 99 TYR H H 1 8.105 0.020 A 99 TYR HA H 1 3.927 0.020 A 99 TYR HBy H 1 2.971 0.020 A 99 TYR HBx H 1 2.854 0.020 A 99 TYR HD1 H 1 5.160 0.020 A 99 TYR HD2 H 1 5.160 0.020 A 99 TYR HE1 H 1 5.000 0.020 A 99 TYR HE2 H 1 5.000 0.020 A 99 TYR HH H 1 12.059 0.020 A 99 TYR C C 13 172.831 0.400 A 99 TYR CA C 13 57.124 0.400 A 99 TYR CB C 13 37.125 0.400 A 99 TYR N N 15 113.836 0.400 A 100 LEU H H 1 7.352 0.020 A 100 LEU HA H 1 4.343 0.020 A 100 LEU HBy H 1 1.267 0.020 A 100 LEU HBx H 1 0.964 0.020 A 100 LEU HDx% H 1 0.621 0.020 A 100 LEU HDy% H 1 0.621 0.020 A 100 LEU HG H 1 0.744 0.020 A 100 LEU C C 13 173.430 0.400 A 100 LEU CA C 13 50.874 0.400 A 100 LEU CB C 13 44.000 0.400 A 100 LEU CD1 C 13 24.626 0.400 A 100 LEU CD2 C 13 24.626 0.400 A 100 LEU CG C 13 20.251 0.400 A 100 LEU N N 15 117.112 0.400 A 101 LYS H H 1 8.626 0.020 A 101 LYS HA H 1 3.986 0.020 A 101 LYS HBx H 1 1.636 0.020 A 101 LYS HBy H 1 1.636 0.020 A 101 LYS HDx H 1 1.267 0.020 A 101 LYS HDy H 1 1.267 0.020 A 101 LYS HEx H 1 2.741 0.020 A 101 LYS HEy H 1 2.741 0.020 A 101 LYS HGx H 1 0.783 0.020 A 101 LYS HGy H 1 0.783 0.020 A 101 LYS C C 13 173.851 0.400 A 101 LYS CA C 13 55.249 0.400 A 101 LYS CB C 13 29.626 0.400 A 101 LYS N N 15 129.991 0.400 A 102 LYS H H 1 7.059 0.020 A 102 LYS HA H 1 4.138 0.020 A 102 LYS HBx H 1 1.512 0.020 A 102 LYS HBy H 1 1.512 0.020 A 102 LYS HDy H 1 1.013 0.020 A 102 LYS HDx H 1 0.971 0.020 A 102 LYS HEx H 1 2.741 0.020 A 102 LYS HEy H 1 2.741 0.020 A 102 LYS HGy H 1 0.778 0.020 A 102 LYS HGx H 1 0.743 0.020 A 102 LYS C C 13 171.120 0.400 A 102 LYS CA C 13 52.749 0.400 A 102 LYS CB C 13 32.750 0.400 A 102 LYS CE C 13 39.625 0.400 A 102 LYS CG C 13 21.501 0.400 A 102 LYS N N 15 113.255 0.400 A 103 LEU H H 1 8.883 0.020 A 103 LEU HA H 1 4.475 0.020 A 103 LEU HBy H 1 1.498 0.020 A 103 LEU HBx H 1 1.193 0.020 A 103 LEU HDx% H 1 0.743 0.020 A 103 LEU HDy% H 1 0.610 0.020 A 103 LEU HG H 1 1.378 0.020 A 103 LEU C C 13 171.487 0.400 A 103 LEU CA C 13 48.999 0.400 A 103 LEU CB C 13 39.625 0.400 A 103 LEU CD1 C 13 21.501 0.400 A 103 LEU CD2 C 13 21.501 0.400 A 103 LEU CG C 13 24.626 0.400 A 103 LEU N N 15 126.355 0.400 A 104 PRO HA H 1 4.449 0.020 A 104 PRO HBx H 1 2.073 0.020 A 104 PRO HBy H 1 2.073 0.020 A 104 PRO HDx H 1 3.345 0.020 A 104 PRO HDy H 1 3.345 0.020 A 104 PRO C C 13 173.363 0.400 A 104 PRO CA C 13 60.249 0.400 A 104 PRO CB C 13 29.626 0.400 A 104 PRO CD C 13 48.374 0.400 A 104 PRO CG C 13 25.251 0.400 A 105 VAL H H 1 7.682 0.020 A 105 VAL HA H 1 4.121 0.020 A 105 VAL HB H 1 1.493 0.020 A 105 VAL HGx% H 1 0.074 0.020 A 105 VAL HGy% H 1 0.663 0.020 A 105 VAL C C 13 171.667 0.400 A 105 VAL CA C 13 58.374 0.400 A 105 VAL CB C 13 30.251 0.400 A 105 VAL CG1 C 13 19.001 0.400 A 105 VAL CG2 C 13 19.001 0.400 A 105 VAL N N 15 114.671 0.400 A 106 ASP H H 1 8.216 0.020 A 106 ASP HA H 1 4.474 0.020 A 106 ASP HBx H 1 2.805 0.020 A 106 ASP HBy H 1 2.805 0.020 A 106 ASP C C 13 172.452 0.400 A 106 ASP CA C 13 50.249 0.400 A 106 ASP CB C 13 37.750 0.400 A 106 ASP N N 15 123.825 0.400 A 107 PRO HA H 1 3.920 0.020 A 107 PRO HBx H 1 1.742 0.020 A 107 PRO HBy H 1 1.742 0.020 A 107 PRO HDx H 1 3.165 0.020 A 107 PRO HDy H 1 3.165 0.020 A 107 PRO CA C 13 62.123 0.400 A 107 PRO CB C 13 27.751 0.400 A 107 PRO CD C 13 48.374 0.400 A 107 PRO CG C 13 24.001 0.400 A 108 TRP H H 1 8.156 0.020 A 108 TRP HA H 1 4.274 0.020 A 108 TRP HBx H 1 3.155 0.020 A 108 TRP HBy H 1 3.155 0.020 A 108 TRP HD1 H 1 7.184 0.020 A 108 TRP HE1 H 1 10.355 0.020 A 108 TRP HE3 H 1 7.133 0.020 A 108 TRP HH2 H 1 6.800 0.020 A 108 TRP HZ2 H 1 7.269 0.020 A 108 TRP HZ3 H 1 6.895 0.020 A 108 TRP CA C 13 57.124 0.400 A 108 TRP CB C 13 25.251 0.400 A 108 TRP N N 15 118.137 0.400 A 108 TRP NE1 N 15 130.464 0.400 A 109 GLY H H 1 8.209 0.020 A 109 GLY HAy H 1 4.030 0.020 A 109 GLY HAx H 1 3.303 0.020 A 109 GLY CA C 13 42.750 0.400 A 109 GLY N N 15 107.495 0.400 A 110 ASN H H 1 8.116 0.020 A 110 ASN HA H 1 5.103 0.020 A 110 ASN HBy H 1 2.503 0.020 A 110 ASN HBx H 1 2.279 0.020 A 110 ASN HD2x H 1 6.930 0.020 A 110 ASN HD2y H 1 9.559 0.020 A 110 ASN CA C 13 48.374 0.400 A 110 ASN CB C 13 36.500 0.400 A 110 ASN N N 15 120.108 0.400 A 110 ASN ND2 N 15 120.093 0.400 A 111 PRO HA H 1 4.397 0.020 A 111 PRO HBy H 1 2.194 0.020 A 111 PRO HBx H 1 1.554 0.020 A 111 PRO HDy H 1 3.752 0.020 A 111 PRO HDx H 1 3.407 0.020 A 111 PRO C C 13 176.229 0.400 A 111 PRO CA C 13 60.249 0.400 A 111 PRO CB C 13 29.001 0.400 A 111 PRO CD C 13 47.749 0.400 A 111 PRO CG C 13 24.626 0.400 A 112 TYR H H 1 8.893 0.020 A 112 TYR HA H 1 4.064 0.020 A 112 TYR HBy H 1 2.462 0.020 A 112 TYR HBx H 1 2.311 0.020 A 112 TYR HD1 H 1 6.582 0.020 A 112 TYR HD2 H 1 6.582 0.020 A 112 TYR HE1 H 1 6.550 0.020 A 112 TYR HE2 H 1 6.550 0.020 A 112 TYR HH H 1 11.656 0.020 A 112 TYR C C 13 171.951 0.400 A 112 TYR CA C 13 60.249 0.400 A 112 TYR CB C 13 36.500 0.400 A 112 TYR N N 15 124.595 0.400 A 113 GLN H H 1 9.127 0.020 A 113 GLN HA H 1 4.019 0.020 A 113 GLN HBx H 1 2.467 0.020 A 113 GLN HBy H 1 2.467 0.020 A 113 GLN HE2x H 1 6.946 0.020 A 113 GLN HE2y H 1 7.136 0.020 A 113 GLN HGy H 1 1.876 0.020 A 113 GLN HGx H 1 1.598 0.020 A 113 GLN C C 13 171.436 0.400 A 113 GLN CA C 13 50.874 0.400 A 113 GLN CB C 13 29.469 0.400 A 113 GLN CG C 13 31.501 0.400 A 113 GLN N N 15 120.777 0.400 A 113 GLN NE2 N 15 115.990 0.400 A 114 TYR H H 1 7.906 0.020 A 114 TYR HA H 1 5.586 0.020 A 114 TYR HBx H 1 2.538 0.020 A 114 TYR HBy H 1 2.538 0.020 A 114 TYR HD1 H 1 6.842 0.020 A 114 TYR HD2 H 1 6.842 0.020 A 114 TYR HE1 H 1 7.037 0.020 A 114 TYR HE2 H 1 7.037 0.020 A 114 TYR C C 13 171.343 0.400 A 114 TYR CA C 13 53.999 0.400 A 114 TYR CB C 13 40.250 0.400 A 114 TYR N N 15 120.757 0.400 A 115 LEU H H 1 8.261 0.020 A 115 LEU HA H 1 4.280 0.020 A 115 LEU HBy H 1 1.576 0.020 A 115 LEU HBx H 1 1.329 0.020 A 115 LEU HDx% H 1 0.864 0.020 A 115 LEU HDy% H 1 0.864 0.020 A 115 LEU HG H 1 1.429 0.020 A 115 LEU C C 13 170.921 0.400 A 115 LEU CA C 13 51.499 0.400 A 115 LEU CB C 13 44.625 0.400 A 115 LEU CD1 C 13 23.376 0.400 A 115 LEU CD2 C 13 23.376 0.400 A 115 LEU CG C 13 20.876 0.400 A 115 LEU N N 15 130.662 0.400 A 116 ALA H H 1 7.973 0.020 A 116 ALA HA H 1 4.292 0.020 A 116 ALA HB% H 1 1.092 0.020 A 116 ALA C C 13 172.093 0.400 A 116 ALA CA C 13 47.749 0.400 A 116 ALA CB C 13 19.626 0.400 A 116 ALA N N 15 125.564 0.400 A 117 PRO HA H 1 4.698 0.020 A 117 PRO HBy H 1 2.350 0.020 A 117 PRO HBx H 1 1.906 0.020 A 117 PRO HDx H 1 3.648 0.020 A 117 PRO HDy H 1 3.648 0.020 A 117 PRO C C 13 173.994 0.400 A 117 PRO CA C 13 60.249 0.400 A 117 PRO CB C 13 31.501 0.400 A 117 PRO CD C 13 47.124 0.400 A 117 PRO CG C 13 22.751 0.400 A 118 GLY H H 1 7.096 0.020 A 118 GLY HAy H 1 3.797 0.020 A 118 GLY HAx H 1 3.517 0.020 A 118 GLY C C 13 171.404 0.400 A 118 GLY CA C 13 41.500 0.400 A 118 GLY N N 15 108.306 0.400 A 119 THR H H 1 9.810 0.020 A 119 THR HA H 1 4.091 0.020 A 119 THR HB H 1 3.852 0.020 A 119 THR HG2% H 1 0.936 0.020 A 119 THR C C 13 174.242 0.400 A 119 THR CA C 13 60.874 0.400 A 119 THR CB C 13 66.498 0.400 A 119 THR CG2 C 13 19.626 0.400 A 119 THR N N 15 112.813 0.400 A 120 LYS H H 1 8.964 0.020 A 120 LYS HA H 1 4.150 0.020 A 120 LYS HBy H 1 1.555 0.020 A 120 LYS HBx H 1 1.305 0.020 A 120 LYS HDx H 1 0.711 0.020 A 120 LYS HDy H 1 0.711 0.020 A 120 LYS HGx H 1 0.587 0.020 A 120 LYS HGy H 1 0.587 0.020 A 120 LYS C C 13 172.886 0.400 A 120 LYS CA C 13 53.999 0.400 A 120 LYS CB C 13 30.876 0.400 A 120 LYS N N 15 123.569 0.400 A 121 GLY H H 1 7.125 0.020 A 121 GLY HAx H 1 3.814 0.020 A 121 GLY HAy H 1 3.814 0.020 A 121 GLY C C 13 167.671 0.400 A 121 GLY CA C 13 42.125 0.400 A 121 GLY N N 15 107.253 0.400 A 122 PRO HA H 1 4.077 0.020 A 122 PRO HBy H 1 2.475 0.020 A 122 PRO HBx H 1 1.812 0.020 A 122 PRO HDy H 1 3.412 0.020 A 122 PRO HDx H 1 3.339 0.020 A 122 PRO HGx H 1 1.958 0.020 A 122 PRO HGy H 1 1.958 0.020 A 122 PRO C C 13 175.199 0.400 A 122 PRO CA C 13 63.373 0.400 A 122 PRO CB C 13 30.251 0.400 A 122 PRO CD C 13 45.875 0.400 A 123 PHE H H 1 6.652 0.020 A 123 PHE HA H 1 4.744 0.020 A 123 PHE HBy H 1 2.610 0.020 A 123 PHE HBx H 1 2.397 0.020 A 123 PHE HD1 H 1 5.964 0.020 A 123 PHE HD2 H 1 5.964 0.020 A 123 PHE HE1 H 1 6.866 0.020 A 123 PHE HE2 H 1 6.866 0.020 A 123 PHE HZ H 1 7.101 0.020 A 123 PHE C C 13 170.340 0.400 A 123 PHE CA C 13 53.999 0.400 A 123 PHE CB C 13 39.000 0.400 A 123 PHE N N 15 108.468 0.400 A 124 ASP H H 1 9.268 0.020 A 124 ASP HA H 1 5.108 0.020 A 124 ASP HBy H 1 2.741 0.020 A 124 ASP HBx H 1 2.647 0.020 A 124 ASP C C 13 171.180 0.400 A 124 ASP CA C 13 50.249 0.400 A 124 ASP CB C 13 40.250 0.400 A 124 ASP N N 15 121.741 0.400 A 125 LEU H H 1 8.018 0.020 A 125 LEU HA H 1 5.809 0.020 A 125 LEU HBx H 1 2.473 0.020 A 125 LEU HBy H 1 2.473 0.020 A 125 LEU HDx% H 1 0.911 0.020 A 125 LEU HDy% H 1 0.617 0.020 A 125 LEU HG H 1 1.501 0.020 A 125 LEU C C 13 171.350 0.400 A 125 LEU CA C 13 50.874 0.400 A 125 LEU CB C 13 44.318 0.400 A 125 LEU CD1 C 13 21.501 0.400 A 125 LEU CD2 C 13 21.501 0.400 A 125 LEU N N 15 123.629 0.400 A 126 TYR H H 1 8.912 0.020 A 126 TYR HA H 1 5.630 0.020 A 126 TYR HBx H 1 3.085 0.020 A 126 TYR HBy H 1 3.085 0.020 A 126 TYR HD1 H 1 6.550 0.020 A 126 TYR HD2 H 1 6.550 0.020 A 126 TYR HE1 H 1 6.582 0.020 A 126 TYR HE2 H 1 6.582 0.020 A 126 TYR C C 13 171.410 0.400 A 126 TYR CA C 13 52.749 0.400 A 126 TYR CB C 13 37.750 0.400 A 126 TYR N N 15 119.697 0.400 A 127 SER H H 1 9.319 0.020 A 127 SER HA H 1 5.429 0.020 A 127 SER HBx H 1 3.660 0.020 A 127 SER HBy H 1 3.660 0.020 A 127 SER CA C 13 52.124 0.400 A 127 SER CB C 13 62.748 0.400 A 127 SER N N 15 112.637 0.400 A 128 LEU H H 1 8.759 0.020 A 128 LEU HA H 1 4.186 0.020 A 128 LEU HBx H 1 1.862 0.020 A 128 LEU HBy H 1 1.862 0.020 A 128 LEU HDx% H 1 0.493 0.020 A 128 LEU HDy% H 1 0.650 0.020 A 128 LEU HG H 1 1.377 0.020 A 128 LEU C C 13 175.121 0.400 A 128 LEU CA C 13 52.749 0.400 A 128 LEU CB C 13 35.875 0.400 A 128 LEU N N 15 126.728 0.400 A 129 GLY H H 1 8.356 0.020 A 129 GLY HAx H 1 3.373 0.020 A 129 GLY HAy H 1 3.373 0.020 A 129 GLY C C 13 172.013 0.400 A 129 GLY CA C 13 41.500 0.400 A 129 GLY N N 15 108.559 0.400 A 130 ALA H H 1 7.047 0.020 A 130 ALA HA H 1 4.037 0.020 A 130 ALA HB% H 1 0.861 0.020 A 130 ALA C C 13 174.890 0.400 A 130 ALA CA C 13 52.100 0.400 A 130 ALA CB C 13 16.502 0.400 A 130 ALA N N 15 118.393 0.400 A 131 ASP H H 1 7.222 0.020 A 131 ASP HA H 1 4.122 0.020 A 131 ASP HBy H 1 2.546 0.020 A 131 ASP HBx H 1 2.431 0.020 A 131 ASP C C 13 174.890 0.400 A 131 ASP CA C 13 50.249 0.400 A 131 ASP CB C 13 37.750 0.400 A 131 ASP N N 15 111.487 0.400 A 132 GLY H H 1 7.199 0.020 A 132 GLY HAy H 1 3.951 0.020 A 132 GLY HAx H 1 3.324 0.020 A 132 GLY C C 13 169.773 0.400 A 132 GLY CA C 13 44.625 0.400 A 132 GLY N N 15 106.932 0.400 A 133 LYS H H 1 7.215 0.020 A 133 LYS HA H 1 4.513 0.020 A 133 LYS HBy H 1 1.537 0.020 A 133 LYS HBx H 1 1.247 0.020 A 133 LYS HDx H 1 1.867 0.020 A 133 LYS HDy H 1 1.867 0.020 A 133 LYS HEx H 1 2.771 0.020 A 133 LYS HEy H 1 2.771 0.020 A 133 LYS HGy H 1 0.647 0.020 A 133 LYS HGx H 1 0.492 0.020 A 133 LYS C C 13 172.108 0.400 A 133 LYS CA C 13 51.512 0.400 A 133 LYS CB C 13 34.000 0.400 A 133 LYS N N 15 115.749 0.400 A 134 GLU H H 1 9.230 0.020 A 134 GLU HA H 1 4.352 0.020 A 134 GLU HBx H 1 1.781 0.020 A 134 GLU HBy H 1 1.781 0.020 A 134 GLU HGx H 1 2.138 0.020 A 134 GLU HGy H 1 2.138 0.020 A 134 GLU C C 13 175.219 0.400 A 134 GLU CA C 13 55.874 0.400 A 134 GLU CB C 13 27.126 0.400 A 134 GLU CG C 13 34.000 0.400 A 134 GLU N N 15 128.571 0.400 A 135 GLY H H 1 10.677 0.020 A 135 GLY HAy H 1 4.037 0.020 A 135 GLY HAx H 1 3.717 0.020 A 135 GLY C C 13 171.567 0.400 A 135 GLY CA C 13 41.500 0.400 A 135 GLY N N 15 117.011 0.400 A 136 GLY H H 1 8.442 0.020 A 136 GLY HAx H 1 4.195 0.020 A 136 GLY HAy H 1 4.195 0.020 A 136 GLY C C 13 170.299 0.400 A 136 GLY CA C 13 40.875 0.400 A 136 GLY N N 15 109.494 0.400 A 137 SER H H 1 8.701 0.020 A 137 SER HA H 1 4.639 0.020 A 137 SER HBy H 1 3.591 0.020 A 137 SER HBx H 1 3.540 0.020 A 137 SER C C 13 170.630 0.400 A 137 SER CA C 13 54.624 0.400 A 137 SER CB C 13 62.748 0.400 A 137 SER N N 15 114.685 0.400 A 138 ASP H H 1 9.117 0.020 A 138 ASP HA H 1 3.965 0.020 A 138 ASP HBy H 1 2.723 0.020 A 138 ASP HBx H 1 2.607 0.020 A 138 ASP C C 13 175.540 0.400 A 138 ASP CA C 13 54.624 0.400 A 138 ASP CB C 13 36.500 0.400 A 138 ASP N N 15 120.777 0.400 A 139 ASN H H 1 8.667 0.020 A 139 ASN HA H 1 4.333 0.020 A 139 ASN HBx H 1 2.660 0.020 A 139 ASN HBy H 1 2.660 0.020 A 139 ASN HD2y H 1 7.558 0.020 A 139 ASN HD2x H 1 6.837 0.020 A 139 ASN CA C 13 53.999 0.400 A 139 ASN CB C 13 34.625 0.400 A 139 ASN N N 15 121.930 0.400 A 139 ASN ND2 N 15 112.253 0.400 A 140 ASP H H 1 7.714 0.020 A 140 ASP HA H 1 4.037 0.020 A 140 ASP HBy H 1 2.860 0.020 A 140 ASP HBx H 1 2.706 0.020 A 140 ASP C C 13 172.807 0.400 A 140 ASP CA C 13 53.374 0.400 A 140 ASP CB C 13 37.125 0.400 A 140 ASP N N 15 118.011 0.400 A 141 ALA H H 1 7.060 0.020 A 141 ALA HA H 1 3.353 0.020 A 141 ALA HB% H 1 1.169 0.020 A 141 ALA C C 13 172.233 0.400 A 141 ALA CA C 13 49.624 0.400 A 141 ALA CB C 13 16.502 0.400 A 141 ALA N N 15 125.777 0.400 A 142 ASP H H 1 7.973 0.020 A 142 ASP HA H 1 4.420 0.020 A 142 ASP HBy H 1 2.646 0.020 A 142 ASP HBx H 1 2.293 0.020 A 142 ASP C C 13 174.188 0.400 A 142 ASP CA C 13 52.124 0.400 A 142 ASP CB C 13 37.125 0.400 A 142 ASP N N 15 122.965 0.400 A 143 ILE H H 1 8.534 0.020 A 143 ILE HA H 1 4.060 0.020 A 143 ILE HB H 1 1.754 0.020 A 143 ILE HD1% H 1 0.756 0.020 A 143 ILE HG1x H 1 1.591 0.020 A 143 ILE HG1y H 1 1.591 0.020 A 143 ILE HG2% H 1 1.132 0.020 A 143 ILE C C 13 173.235 0.400 A 143 ILE CA C 13 58.374 0.400 A 143 ILE CB C 13 39.123 0.400 A 143 ILE CD1 C 13 12.127 0.400 A 143 ILE CG2 C 13 14.002 0.400 A 143 ILE N N 15 124.757 0.400 A 144 GLY H H 1 8.288 0.020 A 144 GLY HAx H 1 4.764 0.020 A 144 GLY HAy H 1 4.764 0.020 A 144 GLY C C 13 171.321 0.400 A 144 GLY CA C 13 40.250 0.400 A 144 GLY N N 15 110.895 0.400 A 145 ASN H H 1 8.577 0.020 A 145 ASN HA H 1 4.268 0.020 A 145 ASN HBy H 1 2.887 0.020 A 145 ASN HBx H 1 2.313 0.020 A 145 ASN HD2y H 1 7.591 0.020 A 145 ASN HD2x H 1 6.438 0.020 A 145 ASN C C 13 171.757 0.400 A 145 ASN CA C 13 52.124 0.400 A 145 ASN CB C 13 34.625 0.400 A 145 ASN N N 15 118.042 0.400 A 145 ASN ND2 N 15 117.358 0.400 A 146 TRP H H 1 6.822 0.020 A 146 TRP HA H 1 4.513 0.020 A 146 TRP HBy H 1 3.231 0.020 A 146 TRP HBx H 1 3.080 0.020 A 146 TRP HD1 H 1 6.916 0.020 A 146 TRP HE1 H 1 10.119 0.020 A 146 TRP HE3 H 1 7.692 0.020 A 146 TRP HH2 H 1 6.230 0.020 A 146 TRP HZ2 H 1 6.994 0.020 A 146 TRP HZ3 H 1 6.633 0.020 A 146 TRP C C 13 172.665 0.400 A 146 TRP CA C 13 54.624 0.400 A 146 TRP CB C 13 25.876 0.400 A 146 TRP N N 15 116.756 0.400 A 146 TRP NE1 N 15 132.744 0.400 A 147 ASP H H 1 7.344 0.020 A 147 ASP HA H 1 4.655 0.020 A 147 ASP HBy H 1 2.594 0.020 A 147 ASP HBx H 1 2.349 0.020 A 147 ASP C C 13 172.193 0.400 A 147 ASP CA C 13 51.499 0.400 A 147 ASP CB C 13 39.000 0.400 A 147 ASP N N 15 121.461 0.400 A 148 ASN H H 1 7.726 0.020 A 148 ASN HA H 1 4.310 0.020 A 148 ASN HBy H 1 2.580 0.020 A 148 ASN HBx H 1 2.483 0.020 A 148 ASN HD2y H 1 7.440 0.020 A 148 ASN HD2x H 1 6.648 0.020 A 148 ASN C C 13 176.870 0.400 A 148 ASN CA C 13 52.124 0.400 A 148 ASN CB C 13 37.750 0.400 A 148 ASN N N 15 124.030 0.400 A 148 ASN ND2 N 15 112.263 0.400 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 39 MET H1 A 39 MET HBx 1.0 1.8 3.8 2 1 A 39 MET H1 A 39 MET HBy 1.0 1.8 3.8 3 2 A 39 MET H1 A 44 GLN HBx 1.0 1.8 4.1 4 2 A 39 MET H1 A 44 GLN HBy 1.0 1.8 4.1 5 3 A 39 MET H1 A 47 VAL HGy% 1.0 1.8 5.3 6 4 A 39 MET HA A 39 MET HGx 1.0 1.8 3.8 7 4 A 39 MET HA A 39 MET HGy 1.0 1.8 3.8 8 5 A 39 MET HBy A 44 GLN HBx 1.0 1.8 3.0 9 5 A 39 MET HBx A 44 GLN HBx 1.0 1.8 3.0 10 5 A 44 GLN HBy A 39 MET HBx 1.0 1.8 3.0 11 5 A 39 MET HBy A 44 GLN HBy 1.0 1.8 3.0 12 6 A 47 VAL HB A 39 MET HBx 1.0 1.8 3.5 13 6 A 39 MET HBy A 47 VAL HB 1.0 1.8 3.5 14 7 A 39 MET HBy A 47 VAL HGy% 1.0 1.8 4.2 15 7 A 47 VAL HGy% A 39 MET HBx 1.0 1.8 4.2 16 8 A 40 SER H A 39 MET HGx 1.0 1.8 5.3 17 8 A 39 MET HGy A 40 SER H 1.0 1.8 5.3 18 9 A 40 SER H A 40 SER HBx 1.0 1.8 4.1 19 9 A 40 SER H A 40 SER HBy 1.0 1.8 4.1 20 10 A 41 ARG H A 40 SER HBx 1.0 1.8 4.0 21 10 A 40 SER HBy A 41 ARG H 1.0 1.8 4.0 22 11 A 40 SER HBx A 41 ARG HGx 1.0 1.7 4.5 23 11 A 40 SER HBy A 41 ARG HGx 1.0 1.7 4.5 24 11 A 41 ARG HGy A 40 SER HBx 1.0 1.7 4.5 25 11 A 40 SER HBy A 41 ARG HGy 1.0 1.7 4.5 26 12 A 41 ARG H A 41 ARG HBx 1.0 1.8 4.0 27 12 A 41 ARG H A 41 ARG HBy 1.0 1.8 4.0 28 13 A 41 ARG H A 42 PRO HDx 1.0 1.8 4.5 29 13 A 41 ARG H A 42 PRO HDy 1.0 1.8 4.5 30 14 A 41 ARG HA A 41 ARG HGx 1.0 1.8 3.6 31 14 A 41 ARG HGy A 41 ARG HA 1.0 1.8 3.6 32 15 A 41 ARG HA A 42 PRO HDx 1.0 1.8 3.9 33 15 A 42 PRO HDy A 41 ARG HA 1.0 1.8 3.9 34 16 A 41 ARG HBy A 41 ARG HGx 1.0 1.8 2.9 35 16 A 41 ARG HBx A 41 ARG HGx 1.0 1.8 2.9 36 16 A 41 ARG HGy A 41 ARG HBx 1.0 1.8 2.9 37 16 A 41 ARG HGy A 41 ARG HBy 1.0 1.8 2.9 38 17 A 41 ARG HBx A 42 PRO HDx 1.0 1.8 3.2 39 17 A 41 ARG HBy A 42 PRO HDx 1.0 1.8 3.2 40 17 A 42 PRO HDy A 41 ARG HBx 1.0 1.8 3.2 41 17 A 41 ARG HBy A 42 PRO HDy 1.0 1.8 3.2 42 18 A 41 ARG HGy A 42 PRO HDx 1.0 1.8 3.7 43 18 A 41 ARG HGx A 42 PRO HDx 1.0 1.8 3.7 44 18 A 42 PRO HDy A 41 ARG HGx 1.0 1.8 3.7 45 18 A 41 ARG HGy A 42 PRO HDy 1.0 1.8 3.7 46 19 A 47 VAL HGy% A 43 ASP HBy 1.0 1.8 4.2 47 19 A 43 ASP HBx A 47 VAL HGy% 1.0 1.8 4.2 48 20 A 44 GLN HA A 48 THR HG2% 1.0 1.8 4.9 49 21 A 45 ALA H A 44 GLN HBx 1.0 1.8 4.7 50 21 A 44 GLN HBy A 45 ALA H 1.0 1.8 4.7 51 22 A 45 ALA HA A 44 GLN HBx 1.0 1.8 4.1 52 22 A 44 GLN HBy A 45 ALA HA 1.0 1.8 4.1 53 23 A 48 THR HB A 44 GLN HBx 1.0 1.8 4.5 54 23 A 44 GLN HBy A 48 THR HB 1.0 1.8 4.5 55 24 A 44 GLN HE2x A 44 GLN HGx 1.0 1.8 3.7 56 24 A 44 GLN HE2y A 44 GLN HGx 1.0 1.8 3.7 57 24 A 44 GLN HGy A 44 GLN HE2y 1.0 1.8 3.7 58 24 A 44 GLN HGy A 44 GLN HE2x 1.0 1.8 3.7 59 25 A 45 ALA H A 44 GLN HGx 1.0 1.7 4.2 60 25 A 45 ALA H A 44 GLN HGy 1.0 1.7 4.2 61 26 A 45 ALA H A 45 ALA HB% 1.0 1.8 3.2 62 27 A 45 ALA H A 46 LYS H 1.0 1.8 4.0 63 28 A 45 ALA HA A 48 THR H 1.0 1.8 4.1 64 29 A 45 ALA HA A 48 THR HB 1.0 1.8 4.2 65 30 A 48 THR HG2% A 45 ALA HA 1.0 1.8 4.5 66 31 A 45 ALA HA A 49 VAL HGx% 1.0 1.8 4.3 67 31 A 45 ALA HA A 49 VAL HGy% 1.0 1.8 4.3 68 32 A 45 ALA HB% A 46 LYS H 1.0 1.8 3.9 69 33 A 45 ALA HB% A 46 LYS HA 1.0 1.8 4.1 70 34 A 45 ALA HB% A 46 LYS HGx 1.0 1.8 3.3 71 34 A 45 ALA HB% A 46 LYS HGy 1.0 1.8 3.3 72 35 A 46 LYS H A 46 LYS HBx 1.0 1.8 3.1 73 35 A 46 LYS H A 46 LYS HBy 1.0 1.8 3.1 74 36 A 46 LYS H A 46 LYS HDx 1.0 1.8 4.5 75 36 A 46 LYS H A 46 LYS HDy 1.0 1.8 4.5 76 37 A 46 LYS H A 46 LYS HEx 1.0 1.8 5.5 77 37 A 46 LYS H A 46 LYS HEy 1.0 1.8 5.5 78 38 A 46 LYS H A 46 LYS HGx 1.0 1.8 4.0 79 38 A 46 LYS H A 46 LYS HGy 1.0 1.8 4.0 80 39 A 46 LYS H A 47 VAL H 1.0 1.8 4.8 81 40 A 47 VAL HB A 46 LYS H 1.0 1.8 5.5 82 41 A 46 LYS H A 48 THR H 1.0 1.8 4.9 83 42 A 46 LYS HA A 107 PRO HBx 1.0 1.8 4.0 84 42 A 46 LYS HA A 107 PRO HBy 1.0 1.8 4.0 85 43 A 46 LYS HA A 49 VAL H 1.0 1.8 4.7 86 44 A 46 LYS HA A 49 VAL HGx% 1.0 1.8 3.5 87 44 A 49 VAL HGy% A 46 LYS HA 1.0 1.8 3.5 88 45 A 46 LYS HDy A 107 PRO HBx 1.0 1.8 4.2 89 45 A 46 LYS HDx A 107 PRO HBx 1.0 1.8 4.2 90 45 A 107 PRO HBy A 46 LYS HDx 1.0 1.8 4.2 91 45 A 46 LYS HDy A 107 PRO HBy 1.0 1.8 4.2 92 46 A 108 TRP H A 46 LYS HDx 1.0 1.8 3.7 93 46 A 46 LYS HDy A 108 TRP H 1.0 1.8 3.7 94 47 A 107 PRO HA A 46 LYS HEx 1.0 1.8 4.9 95 47 A 46 LYS HEy A 107 PRO HA 1.0 1.8 4.9 96 48 A 108 TRP HE1 A 46 LYS HEx 1.0 1.8 5.1 97 48 A 46 LYS HEy A 108 TRP HE1 1.0 1.8 5.1 98 49 A 46 LYS HEx A 46 LYS HGx 1.0 1.8 3.7 99 49 A 46 LYS HEy A 46 LYS HGx 1.0 1.8 3.7 100 49 A 46 LYS HGy A 46 LYS HEx 1.0 1.8 3.7 101 49 A 46 LYS HGy A 46 LYS HEy 1.0 1.8 3.7 102 50 A 47 VAL HB A 47 VAL H 1.0 1.8 4.0 103 51 A 47 VAL H A 47 VAL HGx% 1.0 1.8 4.4 104 52 A 47 VAL H A 47 VAL HGy% 1.0 1.8 3.5 105 53 A 48 THR H A 47 VAL H 1.0 1.8 3.3 106 54 A 47 VAL HA A 108 TRP HH2 1.0 1.8 4.1 107 55 A 47 VAL HA A 108 TRP HZ2 1.0 1.8 3.9 108 56 A 47 VAL HA A 143 ILE HG1x 1.0 1.8 5.5 109 56 A 47 VAL HA A 143 ILE HG1y 1.0 1.8 5.5 110 57 A 47 VAL HA A 47 VAL HGx% 1.0 1.8 3.3 111 58 A 47 VAL HA A 47 VAL HGy% 1.0 1.8 3.1 112 59 A 47 VAL HA A 50 ALA H 1.0 1.8 4.7 113 60 A 47 VAL HA A 50 ALA HB% 1.0 1.8 5.2 114 61 A 47 VAL HB A 108 TRP HZ2 1.0 1.8 5.5 115 62 A 47 VAL HB A 48 THR H 1.0 1.8 3.8 116 63 A 47 VAL HB A 48 THR HG2% 1.0 1.8 4.8 117 64 A 138 ASP HA A 47 VAL HGx% 1.0 1.8 4.5 118 65 A 48 THR H A 47 VAL HGx% 1.0 1.8 4.4 119 66 A 48 THR HA A 47 VAL HGx% 1.0 1.8 3.9 120 67 A 50 ALA HB% A 47 VAL HGx% 1.0 1.8 4.2 121 68 A 108 TRP HH2 A 47 VAL HGy% 1.0 1.8 3.6 122 69 A 108 TRP HZ2 A 47 VAL HGy% 1.0 1.8 3.6 123 70 A 138 ASP HA A 47 VAL HGy% 1.0 1.8 4.5 124 71 A 48 THR H A 47 VAL HGy% 1.0 1.8 4.3 125 72 A 138 ASP HA A 47 VAL HGx% 1.0 1.8 3.7 126 72 A 138 ASP HA A 47 VAL HGy% 1.0 1.8 3.7 127 73 A 47 VAL HGx% A 138 ASP HBx 1.0 1.8 3.6 128 73 A 47 VAL HGy% A 138 ASP HBx 1.0 1.8 3.6 129 73 A 138 ASP HBy A 47 VAL HGx% 1.0 1.8 3.6 130 73 A 47 VAL HGy% A 138 ASP HBy 1.0 1.8 3.6 131 74 A 48 THR HB A 48 THR H 1.0 1.8 3.4 132 75 A 48 THR HG2% A 48 THR H 1.0 1.8 4.2 133 76 A 48 THR H A 49 VAL H 1.0 1.8 4.1 134 77 A 48 THR HG2% A 48 THR HA 1.0 1.8 3.4 135 78 A 48 THR HB A 49 VAL H 1.0 1.8 4.3 136 79 A 48 THR HB A 49 VAL HGx% 1.0 1.8 5.2 137 79 A 48 THR HB A 49 VAL HGy% 1.0 1.8 5.2 138 80 A 48 THR HG2% A 49 VAL H 1.0 1.8 4.3 139 81 A 48 THR HG2% A 49 VAL HA 1.0 1.8 4.0 140 82 A 48 THR HG2% A 49 VAL HGx% 1.0 1.8 4.0 141 82 A 48 THR HG2% A 49 VAL HGy% 1.0 1.8 4.0 142 83 A 49 VAL H A 49 VAL HB 1.0 1.8 3.9 143 84 A 49 VAL H A 49 VAL HGx% 1.0 1.8 4.2 144 85 A 49 VAL HGy% A 49 VAL H 1.0 1.8 4.2 145 86 A 49 VAL H A 49 VAL HGx% 1.0 1.8 3.2 146 86 A 49 VAL HGy% A 49 VAL H 1.0 1.8 3.2 147 87 A 49 VAL H A 50 ALA H 1.0 1.8 3.6 148 88 A 49 VAL HA A 49 VAL HGx% 1.0 1.8 3.3 149 89 A 49 VAL HGy% A 49 VAL HA 1.0 1.8 3.3 150 90 A 49 VAL HA A 49 VAL HGx% 1.0 1.8 2.8 151 90 A 49 VAL HGy% A 49 VAL HA 1.0 1.8 2.8 152 91 A 49 VAL HA A 52 GLY H 1.0 1.8 4.4 153 92 A 50 ALA H A 49 VAL HB 1.0 1.8 4.3 154 93 A 50 ALA H A 49 VAL HGx% 1.0 1.8 4.5 155 94 A 49 VAL HGy% A 50 ALA H 1.0 1.8 4.5 156 95 A 112 TYR HH A 49 VAL HGx% 1.0 1.8 4.8 157 95 A 49 VAL HGy% A 112 TYR HH 1.0 1.8 4.8 158 96 A 50 ALA H A 49 VAL HGx% 1.0 1.9 3.8 159 96 A 49 VAL HGy% A 50 ALA H 1.0 1.9 3.8 160 97 A 52 GLY H A 49 VAL HGx% 1.0 1.8 5.4 161 97 A 49 VAL HGy% A 52 GLY H 1.0 1.8 5.4 162 98 A 49 VAL HGx% A 53 ASP HBx 1.0 1.8 4.4 163 98 A 49 VAL HGy% A 53 ASP HBx 1.0 1.8 4.4 164 98 A 53 ASP HBy A 49 VAL HGx% 1.0 1.8 4.4 165 98 A 49 VAL HGy% A 53 ASP HBy 1.0 1.8 4.4 166 99 A 50 ALA H A 50 ALA HB% 1.0 1.8 3.5 167 100 A 50 ALA H A 51 LYS H 1.0 1.8 3.8 168 101 A 50 ALA H A 51 LYS HGx 1.0 1.8 4.2 169 101 A 50 ALA H A 51 LYS HGy 1.0 1.8 4.2 170 102 A 112 TYR HH A 50 ALA HA 1.0 1.8 4.1 171 103 A 50 ALA HA A 53 ASP H 1.0 1.8 4.5 172 104 A 50 ALA HB% A 112 TYR HH 1.0 1.8 4.3 173 105 A 50 ALA HB% A 51 LYS H 1.0 1.8 3.7 174 106 A 50 ALA HB% A 51 LYS HA 1.0 1.8 3.7 175 107 A 50 ALA HB% A 53 ASP H 1.0 1.8 4.8 176 108 A 50 ALA HB% A 53 ASP HBx 1.0 1.7 4.2 177 108 A 50 ALA HB% A 53 ASP HBy 1.0 1.7 4.2 178 109 A 51 LYS H A 51 LYS HBx 1.0 1.8 3.9 179 109 A 51 LYS H A 51 LYS HBy 1.0 1.8 3.9 180 110 A 51 LYS H A 51 LYS HDx 1.0 1.8 3.7 181 110 A 51 LYS H A 51 LYS HDy 1.0 1.8 3.7 182 111 A 51 LYS H A 51 LYS HEx 1.0 1.8 5.5 183 111 A 51 LYS H A 51 LYS HEy 1.0 1.8 5.5 184 112 A 51 LYS H A 51 LYS HGx 1.0 1.8 4.7 185 112 A 51 LYS H A 51 LYS HGy 1.0 1.8 4.7 186 113 A 52 GLY H A 51 LYS H 1.0 1.8 4.0 187 114 A 51 LYS H A 54 ILE HG1x 1.0 1.8 5.1 188 114 A 51 LYS H A 54 ILE HG1y 1.0 1.8 5.1 189 115 A 51 LYS HA A 51 LYS HGx 1.0 1.8 4.1 190 115 A 51 LYS HGy A 51 LYS HA 1.0 1.8 4.1 191 116 A 51 LYS HA A 54 ILE HD1% 1.0 1.8 4.5 192 117 A 51 LYS HA A 54 ILE HG2% 1.0 1.8 4.0 193 118 A 51 LYS HBx A 51 LYS HDx 1.0 1.8 3.2 194 118 A 51 LYS HBy A 51 LYS HDx 1.0 1.8 3.2 195 118 A 51 LYS HDy A 51 LYS HBx 1.0 1.8 3.2 196 118 A 51 LYS HBy A 51 LYS HDy 1.0 1.8 3.2 197 119 A 52 GLY H A 51 LYS HBx 1.0 1.8 4.5 198 119 A 52 GLY H A 51 LYS HBy 1.0 1.8 4.5 199 120 A 52 GLY H A 51 LYS HGx 1.0 1.8 4.5 200 120 A 52 GLY H A 51 LYS HGy 1.0 1.8 4.5 201 121 A 52 GLY H A 53 ASP H 1.0 1.8 2.7 202 122 A 52 GLY H A 53 ASP HA 1.0 1.8 5.1 203 123 A 52 GLY H A 53 ASP HBx 1.0 1.8 5.5 204 123 A 52 GLY H A 53 ASP HBy 1.0 1.8 5.5 205 124 A 112 TYR HH A 53 ASP H 1.0 1.8 5.1 206 125 A 53 ASP H A 53 ASP HBx 1.0 1.8 4.0 207 125 A 53 ASP HBy A 53 ASP H 1.0 1.8 4.0 208 126 A 53 ASP H A 54 ILE H 1.0 1.8 3.8 209 127 A 53 ASP H A 54 ILE HD1% 1.0 1.8 4.9 210 128 A 53 ASP H A 54 ILE HG1x 1.0 1.8 5.0 211 128 A 53 ASP H A 54 ILE HG1y 1.0 1.8 5.0 212 129 A 112 TYR HH A 53 ASP HA 1.0 1.8 4.8 213 130 A 53 ASP HA A 56 ALA H 1.0 1.8 4.5 214 131 A 53 ASP HA A 56 ALA HB% 1.0 1.8 3.5 215 132 A 112 TYR HH A 53 ASP HBx 1.0 1.8 4.0 216 132 A 112 TYR HH A 53 ASP HBy 1.0 1.8 4.0 217 133 A 54 ILE H A 53 ASP HBx 1.0 1.8 4.4 218 133 A 53 ASP HBy A 54 ILE H 1.0 1.8 4.4 219 134 A 57 ILE HD1% A 53 ASP HBx 1.0 1.8 4.5 220 134 A 53 ASP HBy A 57 ILE HD1% 1.0 1.8 4.5 221 135 A 112 TYR HH A 54 ILE H 1.0 1.8 5.5 222 136 A 54 ILE H A 54 ILE HB 1.0 1.8 3.8 223 137 A 54 ILE HD1% A 54 ILE H 1.0 1.8 4.1 224 138 A 54 ILE HG2% A 54 ILE H 1.0 1.8 3.5 225 139 A 54 ILE H A 55 LYS H 1.0 1.8 4.3 226 140 A 54 ILE H A 56 ALA H 1.0 1.8 4.0 227 141 A 54 ILE HD1% A 54 ILE HA 1.0 1.8 4.2 228 142 A 54 ILE HA A 54 ILE HG1x 1.0 1.8 3.4 229 142 A 54 ILE HG1y A 54 ILE HA 1.0 1.8 3.4 230 143 A 54 ILE HG2% A 54 ILE HA 1.0 1.8 3.8 231 144 A 54 ILE HA A 57 ILE H 1.0 1.8 4.9 232 145 A 54 ILE HA A 57 ILE HB 1.0 1.8 4.9 233 146 A 54 ILE HA A 57 ILE HG2% 1.0 1.8 4.8 234 147 A 54 ILE HA A 58 ALA H 1.0 1.8 5.1 235 148 A 54 ILE HD1% A 54 ILE HB 1.0 1.8 3.2 236 149 A 54 ILE HD1% A 143 ILE HD1% 1.0 1.8 4.5 237 150 A 54 ILE HD1% A 143 ILE HG2% 1.0 1.8 4.9 238 151 A 54 ILE HD1% A 145 ASN HBx 1.0 1.7 4.2 239 151 A 54 ILE HD1% A 145 ASN HBy 1.0 1.7 4.2 240 152 A 54 ILE HD1% A 146 TRP H 1.0 1.8 5.5 241 153 A 54 ILE HD1% A 55 LYS H 1.0 1.8 4.1 242 154 A 112 TYR HH A 54 ILE HG2% 1.0 1.8 5.0 243 155 A 54 ILE HG2% A 145 ASN HBx 1.0 1.8 4.4 244 155 A 54 ILE HG2% A 145 ASN HBy 1.0 1.8 4.4 245 156 A 54 ILE HD1% A 54 ILE HG2% 1.0 1.8 2.4 246 157 A 55 LYS H A 55 LYS HBx 1.0 1.8 3.2 247 157 A 55 LYS H A 55 LYS HBy 1.0 1.8 3.2 248 158 A 55 LYS H A 55 LYS HDx 1.0 1.8 3.4 249 158 A 55 LYS H A 55 LYS HDy 1.0 1.8 3.4 250 159 A 56 ALA H A 55 LYS H 1.0 1.8 3.8 251 160 A 55 LYS H A 58 ALA HB% 1.0 1.8 5.3 252 161 A 55 LYS HA A 55 LYS HBx 1.0 1.8 3.0 253 161 A 55 LYS HBy A 55 LYS HA 1.0 1.8 3.0 254 162 A 55 LYS HA A 55 LYS HDx 1.0 1.8 3.6 255 162 A 55 LYS HDy A 55 LYS HA 1.0 1.8 3.6 256 163 A 55 LYS HA A 55 LYS HGx 1.0 1.8 3.5 257 163 A 55 LYS HA A 55 LYS HGy 1.0 1.8 3.5 258 164 A 58 ALA H A 55 LYS HA 1.0 1.8 4.4 259 165 A 58 ALA HB% A 55 LYS HA 1.0 1.8 3.2 260 166 A 55 LYS HBx A 55 LYS HDx 1.0 1.8 3.6 261 166 A 55 LYS HBy A 55 LYS HDx 1.0 1.8 3.6 262 166 A 55 LYS HDy A 55 LYS HBx 1.0 1.8 3.6 263 166 A 55 LYS HBy A 55 LYS HDy 1.0 1.8 3.6 264 167 A 56 ALA H A 55 LYS HBx 1.0 1.8 3.6 265 167 A 56 ALA H A 55 LYS HBy 1.0 1.8 3.6 266 168 A 56 ALA HB% A 55 LYS HBx 1.0 1.8 4.0 267 168 A 56 ALA HB% A 55 LYS HBy 1.0 1.8 4.0 268 169 A 56 ALA H A 55 LYS HGx 1.0 1.8 4.7 269 169 A 56 ALA H A 55 LYS HGy 1.0 1.8 4.7 270 170 A 56 ALA H A 56 ALA HB% 1.0 1.8 3.1 271 171 A 56 ALA H A 57 ILE H 1.0 1.8 4.0 272 172 A 56 ALA H A 57 ILE HA 1.0 1.8 5.5 273 173 A 58 ALA H A 56 ALA HA 1.0 1.8 5.0 274 174 A 56 ALA HA A 59 ALA HB% 1.0 1.8 3.1 275 175 A 56 ALA HB% A 57 ILE H 1.0 1.8 3.7 276 176 A 56 ALA HB% A 57 ILE HD1% 1.0 1.8 4.0 277 177 A 56 ALA HB% A 101 LYS HBx 1.0 1.8 3.8 278 177 A 56 ALA HB% A 101 LYS HBy 1.0 1.8 3.8 279 178 A 56 ALA HB% A 101 LYS HGx 1.0 1.8 3.1 280 178 A 56 ALA HB% A 101 LYS HGy 1.0 1.8 3.1 281 179 A 57 ILE H A 57 ILE HB 1.0 1.8 3.9 282 180 A 57 ILE HD1% A 57 ILE H 1.0 1.8 4.2 283 181 A 57 ILE H A 57 ILE HG1x 1.0 1.8 3.5 284 181 A 57 ILE H A 57 ILE HG1y 1.0 1.8 3.5 285 182 A 57 ILE H A 57 ILE HG2% 1.0 1.8 4.0 286 183 A 57 ILE H A 58 ALA H 1.0 1.8 4.2 287 184 A 57 ILE HD1% A 57 ILE HA 1.0 1.8 4.0 288 185 A 57 ILE HG2% A 57 ILE HA 1.0 1.8 3.7 289 186 A 57 ILE HA A 60 ALA H 1.0 1.8 4.4 290 187 A 57 ILE HA A 60 ALA HB% 1.0 1.8 3.9 291 188 A 57 ILE HA A 100 LEU HDx% 1.0 1.8 4.3 292 188 A 57 ILE HA A 100 LEU HDy% 1.0 1.8 4.3 293 189 A 57 ILE HA A 101 LYS HGx 1.0 1.8 5.4 294 189 A 57 ILE HA A 101 LYS HGy 1.0 1.8 5.4 295 190 A 57 ILE HD1% A 57 ILE HB 1.0 1.8 4.2 296 191 A 57 ILE HB A 58 ALA H 1.0 1.8 4.1 297 192 A 112 TYR HH A 57 ILE HD1% 1.0 1.8 5.5 298 193 A 57 ILE HD1% A 125 LEU HDx% 1.0 1.8 4.2 299 194 A 57 ILE HD1% A 125 LEU HDy% 1.0 1.8 4.2 300 195 A 57 ILE HD1% A 126 TYR H 1.0 1.8 4.9 301 196 A 57 ILE HD1% A 58 ALA H 1.0 1.8 5.5 302 197 A 57 ILE HD1% A 100 LEU HDx% 1.0 1.8 3.8 303 197 A 57 ILE HD1% A 100 LEU HDy% 1.0 1.8 3.8 304 198 A 57 ILE HG2% A 125 LEU HDx% 1.0 1.8 3.7 305 199 A 57 ILE HG2% A 125 LEU HDy% 1.0 1.8 3.7 306 200 A 57 ILE HG2% A 125 LEU HDy% 1.0 1.8 3.1 307 200 A 57 ILE HG2% A 125 LEU HDx% 1.0 1.8 3.1 308 201 A 57 ILE HD1% A 57 ILE HG2% 1.0 1.8 3.4 309 202 A 57 ILE HG2% A 57 ILE HG1x 1.0 1.8 4.1 310 202 A 57 ILE HG2% A 57 ILE HG1y 1.0 1.8 4.1 311 203 A 57 ILE HG2% A 58 ALA H 1.0 1.8 3.6 312 204 A 57 ILE HG2% A 61 LEU H 1.0 1.8 5.5 313 205 A 57 ILE HG2% A 61 LEU HG 1.0 1.8 4.7 314 206 A 57 ILE HG2% A 61 LEU HDy% 1.0 1.7 4.5 315 206 A 57 ILE HG2% A 61 LEU HDx% 1.0 1.7 4.5 316 207 A 58 ALA H A 58 ALA HB% 1.0 1.8 3.3 317 208 A 58 ALA H A 59 ALA H 1.0 1.8 3.8 318 209 A 58 ALA H A 60 ALA H 1.0 1.8 5.5 319 210 A 58 ALA HA A 123 PHE HZ 1.0 1.8 4.6 320 211 A 58 ALA HA A 123 PHE HE% 1.0 1.8 4.3 321 212 A 61 LEU H A 58 ALA HA 1.0 1.8 3.8 322 213 A 58 ALA HA A 61 LEU HDy% 1.0 1.8 4.8 323 213 A 61 LEU HDx% A 58 ALA HA 1.0 1.8 4.8 324 214 A 58 ALA HB% A 123 PHE HZ 1.0 1.8 4.2 325 215 A 58 ALA HB% A 123 PHE HD% 1.0 1.8 5.5 326 216 A 58 ALA HB% A 123 PHE HE% 1.0 1.8 4.1 327 217 A 58 ALA HB% A 59 ALA H 1.0 1.8 3.6 328 218 A 58 ALA HB% A 59 ALA HB% 1.0 1.8 3.9 329 219 A 58 ALA HB% A 61 LEU H 1.0 1.8 4.8 330 220 A 58 ALA HB% A 61 LEU HDy% 1.0 1.8 5.4 331 220 A 58 ALA HB% A 61 LEU HDx% 1.0 1.8 5.4 332 221 A 59 ALA HB% A 59 ALA H 1.0 1.8 3.0 333 222 A 60 ALA H A 59 ALA H 1.0 1.9 3.8 334 223 A 61 LEU H A 59 ALA H 1.0 1.8 4.9 335 224 A 59 ALA HA A 62 ASP HBx 1.0 1.8 3.4 336 224 A 59 ALA HA A 62 ASP HBy 1.0 1.8 3.4 337 225 A 59 ALA HA A 63 MET H 1.0 1.8 4.9 338 226 A 59 ALA HB% A 62 ASP H 1.0 1.8 5.2 339 227 A 60 ALA H A 60 ALA HB% 1.0 1.8 3.2 340 228 A 60 ALA H A 61 LEU H 1.0 1.8 3.9 341 229 A 60 ALA H A 61 LEU HBx 1.0 1.8 4.6 342 229 A 60 ALA H A 61 LEU HBy 1.0 1.8 4.6 343 230 A 60 ALA H A 101 LYS HGx 1.0 1.8 5.5 344 230 A 101 LYS HGy A 60 ALA H 1.0 1.8 5.5 345 231 A 60 ALA HA A 63 MET HA 1.0 1.8 5.5 346 232 A 60 ALA HA A 99 TYR HBx 1.0 1.8 5.0 347 232 A 60 ALA HA A 99 TYR HBy 1.0 1.8 5.0 348 233 A 60 ALA HB% A 61 LEU H 1.0 1.8 3.5 349 234 A 60 ALA HB% A 62 ASP H 1.0 1.8 5.5 350 235 A 60 ALA HB% A 63 MET HBx 1.0 1.8 4.4 351 235 A 60 ALA HB% A 63 MET HBy 1.0 1.8 4.4 352 236 A 60 ALA HB% A 99 TYR HBy 1.0 1.8 3.9 353 237 A 60 ALA HB% A 99 TYR HBx 1.0 1.8 3.9 354 238 A 61 LEU H A 61 LEU HG 1.0 1.8 4.4 355 239 A 61 LEU H A 61 LEU HBx 1.0 1.8 3.9 356 239 A 61 LEU H A 61 LEU HBy 1.0 1.8 3.9 357 240 A 61 LEU H A 61 LEU HDx% 1.0 1.8 4.5 358 241 A 61 LEU H A 61 LEU HDy% 1.0 1.8 4.5 359 242 A 61 LEU H A 62 ASP H 1.0 1.8 4.2 360 243 A 61 LEU H A 99 TYR HBx 1.0 1.8 5.1 361 243 A 61 LEU H A 99 TYR HBy 1.0 1.8 5.1 362 244 A 61 LEU HDx% A 61 LEU HA 1.0 1.8 4.3 363 245 A 61 LEU HA A 61 LEU HDy% 1.0 1.8 4.3 364 246 A 61 LEU HA A 61 LEU HDy% 1.0 1.8 3.5 365 246 A 61 LEU HDx% A 61 LEU HA 1.0 1.8 3.5 366 247 A 61 LEU HA A 64 TYR H 1.0 1.8 3.8 367 248 A 61 LEU HA A 71 TYR HD% 1.0 1.8 5.0 368 249 A 61 LEU HA A 71 TYR HE% 1.0 1.8 5.5 369 250 A 61 LEU HG A 81 LEU HDy% 1.0 1.8 5.4 370 250 A 61 LEU HG A 81 LEU HDx% 1.0 1.8 5.4 371 251 A 123 PHE HE% A 61 LEU HBx 1.0 1.8 4.1 372 251 A 123 PHE HE% A 61 LEU HBy 1.0 1.8 4.1 373 252 A 62 ASP H A 61 LEU HBx 1.0 1.8 3.7 374 252 A 62 ASP H A 61 LEU HBy 1.0 1.8 3.7 375 253 A 71 TYR HE% A 61 LEU HBx 1.0 1.8 3.8 376 253 A 61 LEU HBy A 71 TYR HE% 1.0 1.8 3.8 377 254 A 61 LEU HDx% A 62 ASP H 1.0 1.8 5.5 378 255 A 61 LEU HDx% A 71 TYR HD% 1.0 1.8 4.3 379 256 A 61 LEU HDx% A 71 TYR HE% 1.0 1.8 4.3 380 257 A 62 ASP H A 61 LEU HDy% 1.0 1.8 5.5 381 258 A 71 TYR HD% A 61 LEU HDy% 1.0 1.8 4.3 382 259 A 71 TYR HE% A 61 LEU HDy% 1.0 1.8 4.3 383 260 A 123 PHE HZ A 61 LEU HDy% 1.0 1.8 4.7 384 260 A 61 LEU HDx% A 123 PHE HZ 1.0 1.8 4.7 385 261 A 61 LEU HDx% A 123 PHE HBx 1.0 1.8 4.3 386 261 A 123 PHE HBy A 61 LEU HDy% 1.0 1.8 4.3 387 261 A 61 LEU HDx% A 123 PHE HBy 1.0 1.8 4.3 388 261 A 61 LEU HDy% A 123 PHE HBx 1.0 1.8 4.3 389 262 A 123 PHE HD% A 61 LEU HDy% 1.0 1.8 4.3 390 262 A 61 LEU HDx% A 123 PHE HD% 1.0 1.8 4.3 391 263 A 123 PHE HE% A 61 LEU HDy% 1.0 1.8 4.0 392 263 A 61 LEU HDx% A 123 PHE HE% 1.0 1.8 4.0 393 264 A 61 LEU HDy% A 125 LEU HDy% 1.0 1.8 5.4 394 264 A 61 LEU HDx% A 125 LEU HDy% 1.0 1.8 5.4 395 264 A 125 LEU HDx% A 61 LEU HDy% 1.0 1.8 5.4 396 264 A 125 LEU HDx% A 61 LEU HDx% 1.0 1.8 5.4 397 265 A 61 LEU HDx% A 65 LYS HBy 1.0 1.8 4.8 398 265 A 61 LEU HDy% A 65 LYS HBy 1.0 1.8 4.8 399 265 A 65 LYS HBx A 61 LEU HDy% 1.0 1.8 4.8 400 265 A 61 LEU HDx% A 65 LYS HBx 1.0 1.8 4.8 401 266 A 61 LEU HDx% A 65 LYS HDx 1.0 1.8 4.4 402 266 A 61 LEU HDy% A 65 LYS HDx 1.0 1.8 4.4 403 266 A 65 LYS HDy A 61 LEU HDy% 1.0 1.8 4.4 404 266 A 61 LEU HDx% A 65 LYS HDy 1.0 1.8 4.4 405 267 A 71 TYR HD% A 61 LEU HDy% 1.0 1.8 3.6 406 267 A 61 LEU HDx% A 71 TYR HD% 1.0 1.8 3.6 407 268 A 61 LEU HDx% A 81 LEU HDy% 1.0 1.8 3.6 408 268 A 81 LEU HDx% A 61 LEU HDy% 1.0 1.8 3.6 409 268 A 61 LEU HDx% A 81 LEU HDx% 1.0 1.8 3.6 410 268 A 61 LEU HDy% A 81 LEU HDy% 1.0 1.8 3.6 411 269 A 62 ASP H A 62 ASP HBx 1.0 1.8 3.6 412 269 A 62 ASP HBy A 62 ASP H 1.0 1.8 3.6 413 270 A 63 MET H A 62 ASP H 1.0 1.8 4.0 414 271 A 62 ASP H A 63 MET HA 1.0 1.8 5.3 415 272 A 62 ASP H A 63 MET HBx 1.0 1.8 4.7 416 272 A 62 ASP H A 63 MET HBy 1.0 1.8 4.7 417 273 A 62 ASP H A 65 LYS HDx 1.0 1.8 5.5 418 273 A 62 ASP H A 65 LYS HDy 1.0 1.8 5.5 419 274 A 62 ASP H A 71 TYR HE% 1.0 1.8 4.4 420 275 A 62 ASP HA A 65 LYS H 1.0 1.8 4.6 421 276 A 62 ASP HA A 65 LYS HBy 1.0 1.8 5.0 422 276 A 65 LYS HBx A 62 ASP HA 1.0 1.8 5.0 423 277 A 62 ASP HA A 66 LEU H 1.0 1.8 5.2 424 278 A 71 TYR HD% A 62 ASP HA 1.0 1.8 4.8 425 279 A 71 TYR HE% A 62 ASP HA 1.0 1.8 3.5 426 280 A 63 MET H A 62 ASP HBx 1.0 1.8 4.3 427 280 A 62 ASP HBy A 63 MET H 1.0 1.8 4.3 428 281 A 63 MET H A 63 MET HBx 1.0 1.8 2.9 429 281 A 63 MET H A 63 MET HBy 1.0 1.8 2.9 430 282 A 63 MET H A 64 TYR H 1.0 1.8 4.0 431 283 A 63 MET H A 65 LYS H 1.0 1.8 4.4 432 284 A 63 MET HA A 65 LYS H 1.0 1.8 4.7 433 285 A 63 MET HA A 65 LYS HGx 1.0 1.8 5.4 434 285 A 63 MET HA A 65 LYS HGy 1.0 1.8 5.4 435 286 A 63 MET HA A 66 LEU H 1.0 1.8 3.9 436 287 A 63 MET HA A 66 LEU HG 1.0 1.8 5.5 437 288 A 63 MET HA A 66 LEU HBx 1.0 1.8 3.4 438 288 A 63 MET HA A 66 LEU HBy 1.0 1.8 3.4 439 289 A 63 MET HA A 66 LEU HDx% 1.0 1.8 3.5 440 289 A 63 MET HA A 66 LEU HDy% 1.0 1.8 3.5 441 290 A 63 MET HA A 67 ASP H 1.0 1.8 4.8 442 291 A 63 MET HBy A 64 TYR H 1.0 1.8 4.3 443 292 A 64 TYR H A 63 MET HBx 1.0 1.8 4.3 444 293 A 64 TYR H A 63 MET HBx 1.0 1.8 3.6 445 293 A 63 MET HBy A 64 TYR H 1.0 1.8 3.6 446 294 A 99 TYR HH A 63 MET HBx 1.0 1.8 5.2 447 294 A 63 MET HBy A 99 TYR HH 1.0 1.8 5.2 448 295 A 99 TYR HE% A 63 MET HBx 1.0 1.8 5.3 449 295 A 63 MET HBy A 99 TYR HE% 1.0 1.8 5.3 450 296 A 64 TYR H A 64 TYR HBx 1.0 1.8 3.9 451 296 A 64 TYR H A 64 TYR HBy 1.0 1.8 3.9 452 297 A 64 TYR H A 64 TYR HD% 1.0 1.8 4.7 453 298 A 64 TYR H A 65 LYS H 1.0 1.8 4.5 454 299 A 64 TYR H A 71 TYR HE% 1.0 1.8 5.5 455 300 A 64 TYR H A 81 LEU HDy% 1.0 1.8 5.4 456 300 A 64 TYR H A 81 LEU HDx% 1.0 1.8 5.4 457 301 A 64 TYR H A 99 TYR HBx 1.0 1.8 5.3 458 301 A 99 TYR HBy A 64 TYR H 1.0 1.8 5.3 459 302 A 64 TYR H A 99 TYR HE% 1.0 1.8 5.5 460 303 A 64 TYR HA A 64 TYR HE% 1.0 1.8 4.5 461 304 A 64 TYR HA A 65 LYS HA 1.0 1.8 5.0 462 305 A 64 TYR HA A 94 TRP HD1 1.0 1.8 4.6 463 306 A 64 TYR HH A 72 PRO HA 1.0 1.8 4.6 464 307 A 64 TYR HH A 80 ALA HB% 1.0 1.8 5.3 465 308 A 64 TYR HH A 85 PRO HBx 1.0 1.8 4.8 466 308 A 64 TYR HH A 85 PRO HBy 1.0 1.8 4.8 467 309 A 94 TRP HD1 A 64 TYR HH 1.0 1.8 4.9 468 310 A 64 TYR HH A 94 TRP HE1 1.0 1.8 5.3 469 311 A 68 ASN H A 64 TYR HBx 1.0 1.8 5.5 470 311 A 64 TYR HBy A 68 ASN H 1.0 1.8 5.5 471 312 A 64 TYR HBy A 99 TYR HBx 1.0 1.8 4.1 472 312 A 64 TYR HBx A 99 TYR HBx 1.0 1.8 4.1 473 312 A 99 TYR HBy A 64 TYR HBx 1.0 1.8 4.1 474 312 A 99 TYR HBy A 64 TYR HBy 1.0 1.8 4.1 475 313 A 64 TYR HD% A 64 TYR HH 1.0 1.8 4.0 476 314 A 64 TYR HD% A 68 ASN H 1.0 1.8 5.3 477 315 A 64 TYR HD% A 70 ALA H 1.0 1.8 4.9 478 316 A 64 TYR HD% A 70 ALA HB% 1.0 1.8 5.3 479 317 A 64 TYR HD% A 80 ALA HB% 1.0 1.8 4.6 480 318 A 64 TYR HD% A 81 LEU HDy% 1.0 1.8 4.4 481 318 A 81 LEU HDx% A 64 TYR HD% 1.0 1.8 4.4 482 319 A 64 TYR HD% A 89 PRO HBy 1.0 1.8 5.4 483 319 A 64 TYR HD% A 89 PRO HBx 1.0 1.8 5.4 484 320 A 64 TYR HD% A 94 TRP HD1 1.0 1.8 4.3 485 321 A 64 TYR HD% A 94 TRP HE1 1.0 1.8 3.7 486 322 A 64 TYR HD% A 99 TYR HD% 1.0 1.8 5.4 487 323 A 64 TYR HE% A 68 ASN H 1.0 1.8 4.8 488 324 A 64 TYR HE% A 68 ASN HBx 1.0 1.8 4.7 489 324 A 64 TYR HE% A 68 ASN HBy 1.0 1.8 4.7 490 325 A 64 TYR HE% A 94 TRP HE1 1.0 1.8 3.8 491 326 A 64 TYR HE% A 99 TYR HBx 1.0 1.8 5.3 492 326 A 99 TYR HBy A 64 TYR HE% 1.0 1.8 5.3 493 327 A 65 LYS HBx A 65 LYS H 1.0 1.8 3.9 494 328 A 65 LYS H A 65 LYS HBy 1.0 1.8 3.9 495 329 A 65 LYS H A 65 LYS HBy 1.0 1.8 3.4 496 329 A 65 LYS HBx A 65 LYS H 1.0 1.8 3.4 497 330 A 65 LYS H A 65 LYS HDx 1.0 1.8 4.8 498 330 A 65 LYS HDy A 65 LYS H 1.0 1.8 4.8 499 331 A 65 LYS H A 65 LYS HGx 1.0 1.8 4.5 500 331 A 65 LYS H A 65 LYS HGy 1.0 1.8 4.5 501 332 A 65 LYS H A 66 LEU H 1.0 1.8 3.8 502 333 A 65 LYS H A 67 ASP H 1.0 1.8 5.0 503 334 A 71 TYR HD% A 65 LYS H 1.0 1.7 4.2 504 335 A 71 TYR HE% A 65 LYS H 1.0 1.8 3.8 505 336 A 65 LYS HA A 65 LYS HGx 1.0 1.8 4.0 506 336 A 65 LYS HGy A 65 LYS HA 1.0 1.8 4.0 507 337 A 67 ASP H A 65 LYS HA 1.0 1.8 4.4 508 338 A 65 LYS HA A 68 ASN H 1.0 1.8 5.5 509 339 A 65 LYS HA A 69 PHE H 1.0 1.8 4.7 510 340 A 65 LYS HA A 70 ALA H 1.0 1.8 3.5 511 341 A 71 TYR HD% A 65 LYS HA 1.0 1.8 4.3 512 342 A 71 TYR HE% A 65 LYS HA 1.0 1.8 4.3 513 343 A 71 TYR HE% A 65 LYS HBx 1.0 1.7 4.2 514 344 A 71 TYR HE% A 65 LYS HBy 1.0 1.7 4.2 515 345 A 65 LYS HBx A 65 LYS HDx 1.0 1.8 3.2 516 345 A 65 LYS HBy A 65 LYS HDx 1.0 1.8 3.2 517 345 A 65 LYS HDy A 65 LYS HBy 1.0 1.8 3.2 518 345 A 65 LYS HBx A 65 LYS HDy 1.0 1.8 3.2 519 346 A 71 TYR HD% A 65 LYS HBy 1.0 1.8 4.1 520 346 A 71 TYR HD% A 65 LYS HBx 1.0 1.8 4.1 521 347 A 71 TYR HE% A 65 LYS HBy 1.0 1.8 3.6 522 347 A 71 TYR HE% A 65 LYS HBx 1.0 1.8 3.6 523 348 A 123 PHE HD% A 65 LYS HDx 1.0 1.8 5.5 524 348 A 123 PHE HD% A 65 LYS HDy 1.0 1.8 5.5 525 349 A 71 TYR HD% A 65 LYS HDx 1.0 1.8 3.9 526 349 A 71 TYR HD% A 65 LYS HDy 1.0 1.8 3.9 527 350 A 71 TYR HE% A 65 LYS HDx 1.0 1.8 4.3 528 350 A 71 TYR HE% A 65 LYS HDy 1.0 1.8 4.3 529 351 A 69 PHE H A 65 LYS HGx 1.0 1.8 5.4 530 351 A 65 LYS HGy A 69 PHE H 1.0 1.8 5.4 531 352 A 69 PHE HA A 65 LYS HGx 1.0 1.8 5.0 532 352 A 65 LYS HGy A 69 PHE HA 1.0 1.8 5.0 533 353 A 70 ALA H A 65 LYS HGx 1.0 1.8 4.5 534 353 A 65 LYS HGy A 70 ALA H 1.0 1.8 4.5 535 354 A 70 ALA HA A 65 LYS HGx 1.0 1.8 5.5 536 354 A 65 LYS HGy A 70 ALA HA 1.0 1.8 5.5 537 355 A 71 TYR HD% A 65 LYS HGx 1.0 1.8 5.0 538 355 A 71 TYR HD% A 65 LYS HGy 1.0 1.8 5.0 539 356 A 71 TYR HE% A 65 LYS HGx 1.0 1.8 5.0 540 356 A 71 TYR HE% A 65 LYS HGy 1.0 1.8 5.0 541 357 A 66 LEU H A 66 LEU HG 1.0 1.8 4.5 542 358 A 66 LEU H A 66 LEU HBx 1.0 1.8 2.8 543 358 A 66 LEU H A 66 LEU HBy 1.0 1.8 2.8 544 359 A 66 LEU H A 66 LEU HDx% 1.0 1.8 4.0 545 359 A 66 LEU H A 66 LEU HDy% 1.0 1.8 4.0 546 360 A 66 LEU H A 67 ASP H 1.0 1.8 3.5 547 361 A 66 LEU H A 68 ASN H 1.0 1.8 5.5 548 362 A 66 LEU HG A 66 LEU HA 1.0 1.8 3.6 549 363 A 66 LEU HA A 66 LEU HDx% 1.0 1.8 3.2 550 363 A 66 LEU HDy% A 66 LEU HA 1.0 1.8 3.2 551 364 A 66 LEU HG A 92 LYS HEx 1.0 1.8 3.9 552 364 A 66 LEU HG A 92 LYS HEy 1.0 1.8 3.9 553 365 A 66 LEU HG A 66 LEU HBx 1.0 1.8 2.6 554 365 A 66 LEU HG A 66 LEU HBy 1.0 1.8 2.6 555 366 A 66 LEU HBx A 66 LEU HDx% 1.0 1.8 3.4 556 366 A 66 LEU HBy A 66 LEU HDx% 1.0 1.8 3.4 557 366 A 66 LEU HDy% A 66 LEU HBx 1.0 1.8 3.4 558 366 A 66 LEU HBy A 66 LEU HDy% 1.0 1.8 3.4 559 367 A 67 ASP H A 66 LEU HBx 1.0 1.8 3.6 560 367 A 66 LEU HBy A 67 ASP H 1.0 1.8 3.6 561 368 A 66 LEU HBy A 92 LYS HGx 1.0 1.8 4.2 562 368 A 92 LYS HGy A 66 LEU HBx 1.0 1.8 4.2 563 368 A 66 LEU HBy A 92 LYS HGy 1.0 1.8 4.2 564 368 A 66 LEU HBx A 92 LYS HGx 1.0 1.8 4.2 565 369 A 67 ASP H A 66 LEU HDx% 1.0 1.8 4.6 566 369 A 66 LEU HDy% A 67 ASP H 1.0 1.8 4.6 567 370 A 67 ASP H A 67 ASP HBy 1.0 1.8 4.1 568 371 A 67 ASP H A 67 ASP HBx 1.0 1.8 4.1 569 372 A 67 ASP H A 67 ASP HBx 1.0 1.8 3.6 570 372 A 67 ASP H A 67 ASP HBy 1.0 1.8 3.6 571 373 A 67 ASP H A 68 ASN H 1.0 1.8 3.5 572 374 A 67 ASP H A 99 TYR HH 1.0 1.8 5.2 573 375 A 67 ASP H A 99 TYR HE% 1.0 1.8 5.4 574 376 A 99 TYR HH A 67 ASP HA 1.0 1.8 5.3 575 377 A 99 TYR HH A 67 ASP HBy 1.0 1.8 5.2 576 378 A 99 TYR HH A 67 ASP HBx 1.0 1.8 5.2 577 379 A 90 GLN H A 67 ASP HBx 1.0 1.8 5.3 578 379 A 67 ASP HBy A 90 GLN H 1.0 1.8 5.3 579 380 A 67 ASP HBx A 92 LYS HGx 1.0 1.8 3.6 580 380 A 67 ASP HBy A 92 LYS HGx 1.0 1.8 3.6 581 380 A 92 LYS HGy A 67 ASP HBx 1.0 1.8 3.6 582 380 A 92 LYS HGy A 67 ASP HBy 1.0 1.8 3.6 583 381 A 99 TYR HH A 67 ASP HBx 1.0 1.8 4.4 584 381 A 99 TYR HH A 67 ASP HBy 1.0 1.8 4.4 585 382 A 99 TYR HE% A 67 ASP HBx 1.0 1.8 5.3 586 382 A 99 TYR HE% A 67 ASP HBy 1.0 1.8 5.3 587 383 A 68 ASN H A 68 ASN HBx 1.0 1.8 3.3 588 383 A 68 ASN H A 68 ASN HBy 1.0 1.8 3.3 589 384 A 68 ASN H A 68 ASN HD2y 1.0 1.8 4.6 590 384 A 68 ASN H A 68 ASN HD2x 1.0 1.8 4.6 591 385 A 68 ASN H A 70 ALA H 1.0 1.8 5.3 592 386 A 68 ASN HA A 68 ASN HD2y 1.0 1.8 4.2 593 386 A 68 ASN HA A 68 ASN HD2x 1.0 1.8 4.2 594 387 A 68 ASN HA A 69 PHE HD1 1.0 1.8 5.0 595 388 A 68 ASN HA A 69 PHE HD2 1.0 1.8 5.1 596 389 A 68 ASN HA A 69 PHE HE% 1.0 1.8 4.8 597 390 A 70 ALA H A 68 ASN HA 1.0 1.8 4.7 598 391 A 68 ASN HA A 89 PRO HBy 1.0 1.8 3.7 599 391 A 89 PRO HBx A 68 ASN HA 1.0 1.8 3.7 600 392 A 68 ASN HD2y A 68 ASN HBx 1.0 1.8 3.8 601 392 A 68 ASN HBy A 68 ASN HD2y 1.0 1.8 3.8 602 393 A 68 ASN HD2x A 68 ASN HBx 1.0 1.8 3.8 603 393 A 68 ASN HBy A 68 ASN HD2x 1.0 1.8 3.8 604 394 A 69 PHE H A 68 ASN HBx 1.0 1.8 4.0 605 394 A 68 ASN HBy A 69 PHE H 1.0 1.8 4.0 606 395 A 69 PHE HD1 A 68 ASN HBx 1.0 1.8 4.8 607 395 A 68 ASN HBy A 69 PHE HD1 1.0 1.8 4.8 608 396 A 69 PHE HD2 A 68 ASN HBx 1.0 1.8 4.8 609 396 A 68 ASN HBy A 69 PHE HD2 1.0 1.8 4.8 610 397 A 68 ASN HBy A 89 PRO HBy 1.0 1.8 3.7 611 397 A 68 ASN HBx A 89 PRO HBy 1.0 1.8 3.7 612 397 A 89 PRO HBx A 68 ASN HBx 1.0 1.8 3.7 613 397 A 89 PRO HBx A 68 ASN HBy 1.0 1.8 3.7 614 398 A 89 PRO HBx A 68 ASN HD2y 1.0 1.8 4.1 615 398 A 68 ASN HD2x A 89 PRO HBy 1.0 1.8 4.1 616 398 A 89 PRO HBx A 68 ASN HD2x 1.0 1.8 4.1 617 398 A 68 ASN HD2y A 89 PRO HBy 1.0 1.8 4.1 618 399 A 69 PHE H A 69 PHE HD1 1.0 1.8 4.8 619 400 A 69 PHE H A 69 PHE HD2 1.0 1.8 4.8 620 401 A 69 PHE H A 69 PHE HBx 1.0 1.8 3.8 621 401 A 69 PHE H A 69 PHE HBy 1.0 1.8 3.8 622 402 A 69 PHE H A 69 PHE HE% 1.0 1.8 4.9 623 403 A 70 ALA H A 69 PHE H 1.0 1.8 3.3 624 404 A 69 PHE HA A 69 PHE HD1 1.0 1.8 4.1 625 405 A 69 PHE HA A 69 PHE HD2 1.0 1.8 4.1 626 406 A 70 ALA H A 69 PHE HA 1.0 1.8 3.6 627 407 A 70 ALA HB% A 69 PHE HD1 1.0 1.8 5.4 628 408 A 70 ALA HB% A 69 PHE HD2 1.0 1.8 5.4 629 409 A 69 PHE HD1 A 69 PHE HBx 1.0 1.8 3.6 630 409 A 69 PHE HD1 A 69 PHE HBy 1.0 1.8 3.6 631 410 A 69 PHE HD2 A 69 PHE HBx 1.0 1.8 3.6 632 410 A 69 PHE HD2 A 69 PHE HBy 1.0 1.8 3.6 633 411 A 70 ALA H A 69 PHE HBx 1.0 1.8 4.3 634 411 A 70 ALA H A 69 PHE HBy 1.0 1.8 4.3 635 412 A 70 ALA HB% A 69 PHE HBx 1.0 1.8 4.5 636 412 A 70 ALA HB% A 69 PHE HBy 1.0 1.8 4.5 637 413 A 69 PHE HD1 A 69 PHE HE% 1.0 1.8 2.4 638 414 A 69 PHE HD2 A 69 PHE HE% 1.0 1.8 2.4 639 415 A 70 ALA H A 70 ALA HB% 1.0 1.8 3.1 640 416 A 70 ALA HA A 71 TYR H 1.0 1.8 3.4 641 417 A 71 TYR HD% A 70 ALA HA 1.0 1.8 4.8 642 418 A 70 ALA HB% A 71 TYR H 1.0 1.8 3.2 643 419 A 70 ALA HB% A 71 TYR HBy 1.0 1.8 4.8 644 420 A 71 TYR HD% A 70 ALA HB% 1.0 1.8 5.2 645 421 A 71 TYR H A 71 TYR HBy 1.0 1.8 4.0 646 422 A 71 TYR H A 71 TYR HBx 1.0 1.8 4.1 647 423 A 71 TYR HD% A 71 TYR H 1.0 1.8 3.6 648 424 A 71 TYR HE% A 71 TYR H 1.0 1.8 4.9 649 425 A 71 TYR HD% A 122 PRO HBy 1.0 1.8 4.9 650 426 A 71 TYR HD% A 122 PRO HBx 1.0 1.8 4.9 651 427 A 71 TYR HD% A 122 PRO HBx 1.0 1.8 4.9 652 427 A 71 TYR HD% A 122 PRO HBy 1.0 1.8 4.9 653 428 A 123 PHE HD% A 71 TYR HD% 1.0 1.8 5.2 654 429 A 71 TYR HE% A 122 PRO HA 1.0 1.8 5.3 655 430 A 71 TYR HE% A 122 PRO HBx 1.0 1.8 4.0 656 430 A 71 TYR HE% A 122 PRO HBy 1.0 1.8 4.0 657 431 A 123 PHE HD% A 71 TYR HE% 1.0 1.8 3.7 658 432 A 72 PRO HA A 73 SER H 1.0 1.8 3.3 659 433 A 72 PRO HA A 77 GLY H 1.0 1.8 5.4 660 434 A 73 SER H A 72 PRO HBy 1.0 1.8 4.1 661 434 A 73 SER H A 72 PRO HBx 1.0 1.8 4.1 662 435 A 77 GLY H A 72 PRO HBy 1.0 1.7 4.5 663 435 A 77 GLY H A 72 PRO HBx 1.0 1.7 4.5 664 436 A 72 PRO HBy A 77 GLY HAy 1.0 1.8 3.8 665 436 A 72 PRO HBx A 77 GLY HAy 1.0 1.8 3.8 666 436 A 77 GLY HAx A 72 PRO HBy 1.0 1.8 3.8 667 436 A 72 PRO HBx A 77 GLY HAx 1.0 1.8 3.8 668 437 A 73 SER H A 73 SER HBx 1.0 1.8 4.1 669 437 A 73 SER H A 73 SER HBy 1.0 1.8 4.1 670 438 A 73 SER H A 75 GLN H 1.0 1.8 5.5 671 439 A 73 SER H A 76 GLN HBy 1.0 1.8 4.1 672 440 A 73 SER H A 77 GLY HAy 1.0 1.8 5.0 673 440 A 73 SER H A 77 GLY HAx 1.0 1.8 5.0 674 441 A 73 SER HA A 74 THR H 1.0 1.8 3.4 675 442 A 73 SER HA A 74 THR HG2% 1.0 1.8 4.8 676 443 A 74 THR H A 73 SER HBx 1.0 1.8 4.0 677 443 A 73 SER HBy A 74 THR H 1.0 1.8 4.0 678 444 A 75 GLN H A 73 SER HBx 1.0 1.8 3.6 679 444 A 73 SER HBy A 75 GLN H 1.0 1.8 3.6 680 445 A 77 GLY H A 73 SER HBx 1.0 1.8 4.4 681 445 A 77 GLY H A 73 SER HBy 1.0 1.8 4.4 682 446 A 73 SER HBx A 77 GLY HAy 1.0 1.8 4.4 683 446 A 77 GLY HAx A 73 SER HBx 1.0 1.8 4.4 684 446 A 77 GLY HAx A 73 SER HBy 1.0 1.8 4.4 685 446 A 73 SER HBy A 77 GLY HAy 1.0 1.8 4.4 686 447 A 74 THR H A 116 ALA H 1.0 1.8 4.8 687 448 A 74 THR H A 74 THR HB 1.0 1.8 3.3 688 449 A 74 THR H A 74 THR HG2% 1.0 1.8 4.0 689 450 A 75 GLN H A 74 THR H 1.0 1.8 4.1 690 451 A 74 THR HG2% A 74 THR HA 1.0 1.8 3.2 691 452 A 74 THR HA A 75 GLN HA 1.0 1.8 4.6 692 453 A 116 ALA H A 74 THR HB 1.0 1.8 4.3 693 454 A 75 GLN H A 74 THR HG2% 1.0 1.8 4.0 694 455 A 74 THR HG2% A 75 GLN HA 1.0 1.8 3.9 695 456 A 74 THR HG2% A 75 GLN HE2y 1.0 1.8 5.5 696 457 A 74 THR HG2% A 75 GLN HBy 1.0 1.8 3.7 697 457 A 74 THR HG2% A 75 GLN HBx 1.0 1.8 3.7 698 458 A 75 GLN H A 75 GLN HBy 1.0 1.8 4.2 699 459 A 75 GLN H A 75 GLN HBx 1.0 1.8 4.2 700 460 A 75 GLN H A 75 GLN HBy 1.0 1.8 3.4 701 460 A 75 GLN H A 75 GLN HBx 1.0 1.8 3.4 702 461 A 75 GLN H A 75 GLN HGx 1.0 1.8 4.1 703 461 A 75 GLN H A 75 GLN HGy 1.0 1.8 4.1 704 462 A 75 GLN H A 76 GLN H 1.0 1.8 4.0 705 463 A 75 GLN HA A 75 GLN HE2x 1.0 1.8 5.5 706 464 A 75 GLN HA A 75 GLN HGx 1.0 1.8 3.4 707 464 A 75 GLN HA A 75 GLN HGy 1.0 1.8 3.4 708 465 A 76 GLN H A 75 GLN HE2x 1.0 1.8 5.5 709 466 A 76 GLN HBy A 76 GLN H 1.0 1.8 3.1 710 467 A 76 GLN H A 76 GLN HBx 1.0 1.8 3.6 711 468 A 76 GLN H A 76 GLN HGy 1.0 1.8 4.5 712 469 A 76 GLN H A 76 GLN HGx 1.0 1.8 4.5 713 470 A 76 GLN H A 76 GLN HGy 1.0 1.8 3.7 714 470 A 76 GLN H A 76 GLN HGx 1.0 1.8 3.7 715 471 A 77 GLY H A 76 GLN H 1.0 1.8 3.9 716 472 A 76 GLN H A 77 GLY HAy 1.0 1.8 4.9 717 472 A 77 GLY HAx A 76 GLN H 1.0 1.8 4.9 718 473 A 76 GLN HA A 76 GLN HGy 1.0 1.8 3.5 719 473 A 76 GLN HGx A 76 GLN HA 1.0 1.8 3.5 720 474 A 80 ALA HB% A 76 GLN HA 1.0 1.8 4.2 721 475 A 77 GLY H A 76 GLN HBy 1.0 1.8 3.5 722 476 A 80 ALA HB% A 76 GLN HBy 1.0 1.8 4.7 723 477 A 77 GLY H A 76 GLN HBx 1.0 1.8 4.2 724 478 A 80 ALA HB% A 76 GLN HBx 1.0 1.8 4.0 725 479 A 77 GLY H A 78 LEU H 1.0 1.8 5.0 726 480 A 80 ALA HB% A 77 GLY H 1.0 1.8 4.5 727 481 A 78 LEU H A 78 LEU HBy 1.0 1.8 4.0 728 482 A 78 LEU H A 78 LEU HBx 1.0 1.8 4.0 729 483 A 78 LEU H A 78 LEU HG 1.0 1.8 4.7 730 484 A 78 LEU H A 78 LEU HBy 1.0 1.8 3.5 731 484 A 78 LEU H A 78 LEU HBx 1.0 1.8 3.5 732 485 A 78 LEU H A 78 LEU HDx% 1.0 1.8 4.3 733 486 A 78 LEU H A 78 LEU HDy% 1.0 1.8 4.3 734 487 A 78 LEU H A 79 GLU H 1.0 1.8 3.5 735 488 A 78 LEU H A 79 GLU HBx 1.0 1.8 4.8 736 488 A 78 LEU H A 79 GLU HBy 1.0 1.8 4.8 737 489 A 78 LEU H A 80 ALA H 1.0 1.8 5.5 738 490 A 78 LEU H A 81 LEU HBx 1.0 1.8 5.5 739 490 A 78 LEU H A 81 LEU HBy 1.0 1.8 5.5 740 491 A 78 LEU HA A 78 LEU HDx% 1.0 1.8 3.8 741 492 A 78 LEU HA A 78 LEU HDy% 1.0 1.8 3.8 742 493 A 78 LEU HA A 78 LEU HDy% 1.0 1.8 3.2 743 493 A 78 LEU HA A 78 LEU HDx% 1.0 1.8 3.2 744 494 A 80 ALA H A 78 LEU HA 1.0 1.8 4.4 745 495 A 80 ALA HB% A 78 LEU HA 1.0 1.8 5.4 746 496 A 78 LEU HA A 81 LEU H 1.0 1.8 5.5 747 497 A 78 LEU HA A 81 LEU HDy% 1.0 1.8 4.9 748 497 A 81 LEU HDx% A 78 LEU HA 1.0 1.8 4.9 749 498 A 78 LEU HG A 78 LEU HBy 1.0 1.8 3.0 750 499 A 78 LEU HG A 78 LEU HBx 1.0 1.8 3.0 751 500 A 78 LEU HG A 115 LEU HA 1.0 1.8 4.0 752 501 A 78 LEU HG A 115 LEU HDx% 1.0 1.8 3.5 753 501 A 78 LEU HG A 115 LEU HDy% 1.0 1.8 3.5 754 502 A 78 LEU HBx A 78 LEU HDy% 1.0 1.8 2.8 755 502 A 78 LEU HBy A 78 LEU HDy% 1.0 1.8 2.8 756 502 A 78 LEU HDx% A 78 LEU HBy 1.0 1.8 2.8 757 502 A 78 LEU HBx A 78 LEU HDx% 1.0 1.8 2.8 758 503 A 79 GLU H A 78 LEU HBy 1.0 1.8 3.1 759 503 A 78 LEU HBx A 79 GLU H 1.0 1.8 3.1 760 504 A 79 GLU H A 78 LEU HDy% 1.0 1.8 3.8 761 504 A 79 GLU H A 78 LEU HDx% 1.0 1.8 3.8 762 505 A 79 GLU HA A 78 LEU HDy% 1.0 1.8 3.6 763 505 A 78 LEU HDx% A 79 GLU HA 1.0 1.8 3.6 764 506 A 78 LEU HDx% A 79 GLU HBx 1.0 1.8 4.4 765 506 A 78 LEU HDy% A 79 GLU HBx 1.0 1.8 4.4 766 506 A 79 GLU HBy A 78 LEU HDy% 1.0 1.8 4.4 767 506 A 79 GLU HBy A 78 LEU HDx% 1.0 1.8 4.4 768 507 A 78 LEU HDx% A 79 GLU HGx 1.0 1.7 4.2 769 507 A 78 LEU HDy% A 79 GLU HGx 1.0 1.7 4.2 770 507 A 79 GLU HGy A 78 LEU HDy% 1.0 1.7 4.2 771 507 A 78 LEU HDx% A 79 GLU HGy 1.0 1.7 4.2 772 508 A 81 LEU H A 78 LEU HDy% 1.0 1.8 5.4 773 508 A 78 LEU HDx% A 81 LEU H 1.0 1.8 5.4 774 509 A 78 LEU HDx% A 81 LEU HDy% 1.0 1.8 4.6 775 509 A 78 LEU HDy% A 81 LEU HDy% 1.0 1.8 4.6 776 509 A 81 LEU HDx% A 78 LEU HDy% 1.0 1.8 4.6 777 509 A 81 LEU HDx% A 78 LEU HDx% 1.0 1.8 4.6 778 510 A 82 VAL H A 78 LEU HDy% 1.0 1.8 5.4 779 510 A 78 LEU HDx% A 82 VAL H 1.0 1.8 5.4 780 511 A 82 VAL HB A 78 LEU HDy% 1.0 1.8 4.7 781 511 A 78 LEU HDx% A 82 VAL HB 1.0 1.8 4.7 782 512 A 79 GLU H A 79 GLU HBx 1.0 1.8 3.2 783 512 A 79 GLU H A 79 GLU HBy 1.0 1.8 3.2 784 513 A 79 GLU H A 79 GLU HGx 1.0 1.8 3.5 785 513 A 79 GLU H A 79 GLU HGy 1.0 1.8 3.5 786 514 A 79 GLU H A 80 ALA H 1.0 1.9 3.8 787 515 A 80 ALA HB% A 79 GLU H 1.0 1.8 4.3 788 516 A 79 GLU H A 82 VAL HGx% 1.0 1.8 5.2 789 516 A 79 GLU H A 82 VAL HGy% 1.0 1.8 5.2 790 517 A 79 GLU HA A 79 GLU HGx 1.0 1.8 3.8 791 517 A 79 GLU HA A 79 GLU HGy 1.0 1.8 3.8 792 518 A 81 LEU H A 79 GLU HA 1.0 1.8 5.1 793 519 A 79 GLU HA A 82 VAL H 1.0 1.8 3.9 794 520 A 79 GLU HA A 82 VAL HB 1.0 1.8 3.9 795 521 A 79 GLU HA A 82 VAL HGx% 1.0 1.8 3.9 796 521 A 79 GLU HA A 82 VAL HGy% 1.0 1.8 3.9 797 522 A 79 GLU HA A 83 LYS H 1.0 1.8 4.2 798 523 A 80 ALA H A 79 GLU HBx 1.0 1.9 3.8 799 523 A 79 GLU HBy A 80 ALA H 1.0 1.9 3.8 800 524 A 80 ALA H A 79 GLU HGx 1.0 1.8 4.8 801 524 A 80 ALA H A 79 GLU HGy 1.0 1.8 4.8 802 525 A 79 GLU HGy A 83 LYS HBx 1.0 1.8 4.3 803 525 A 79 GLU HGx A 83 LYS HBx 1.0 1.8 4.3 804 525 A 83 LYS HBy A 79 GLU HGx 1.0 1.8 4.3 805 525 A 79 GLU HGy A 83 LYS HBy 1.0 1.8 4.3 806 526 A 80 ALA HB% A 80 ALA H 1.0 1.8 3.3 807 527 A 80 ALA H A 81 LEU H 1.0 1.8 3.8 808 528 A 80 ALA H A 82 VAL H 1.0 1.8 4.7 809 529 A 80 ALA H A 83 LYS H 1.0 1.8 4.9 810 530 A 94 TRP HE1 A 80 ALA HA 1.0 1.8 5.4 811 531 A 80 ALA HB% A 85 PRO HBy 1.0 1.8 4.4 812 532 A 80 ALA HB% A 85 PRO HBx 1.0 1.8 4.4 813 533 A 80 ALA HB% A 86 THR H 1.0 1.8 4.2 814 534 A 94 TRP HD1 A 80 ALA HB% 1.0 1.8 4.9 815 535 A 80 ALA HB% A 94 TRP HE1 1.0 1.8 5.0 816 536 A 81 LEU H A 81 LEU HG 1.0 1.8 4.6 817 537 A 81 LEU H A 81 LEU HBx 1.0 1.8 3.6 818 537 A 81 LEU HBy A 81 LEU H 1.0 1.8 3.6 819 538 A 81 LEU HDx% A 81 LEU H 1.0 1.8 4.4 820 539 A 81 LEU H A 81 LEU HDy% 1.0 1.8 4.4 821 540 A 81 LEU H A 81 LEU HDy% 1.0 1.8 3.7 822 540 A 81 LEU HDx% A 81 LEU H 1.0 1.8 3.7 823 541 A 81 LEU H A 82 VAL HGx% 1.0 1.8 4.4 824 541 A 81 LEU H A 82 VAL HGy% 1.0 1.8 4.4 825 542 A 81 LEU H A 83 LYS H 1.0 1.8 4.2 826 543 A 81 LEU HA A 81 LEU HDy% 1.0 1.8 3.6 827 543 A 81 LEU HDx% A 81 LEU HA 1.0 1.8 3.6 828 544 A 94 TRP HE1 A 81 LEU HA 1.0 1.8 5.5 829 545 A 82 VAL H A 81 LEU HBx 1.0 1.8 3.8 830 545 A 81 LEU HBy A 82 VAL H 1.0 1.8 3.8 831 546 A 81 LEU HBy A 98 GLY HAx 1.0 1.8 3.4 832 546 A 81 LEU HBx A 98 GLY HAx 1.0 1.8 3.4 833 546 A 98 GLY HAy A 81 LEU HBx 1.0 1.8 3.4 834 546 A 81 LEU HBy A 98 GLY HAy 1.0 1.8 3.4 835 547 A 115 LEU HA A 81 LEU HDy% 1.0 1.8 4.3 836 547 A 81 LEU HDx% A 115 LEU HA 1.0 1.8 4.3 837 548 A 81 LEU HDy% A 125 LEU HDy% 1.0 1.8 4.1 838 548 A 81 LEU HDx% A 125 LEU HDy% 1.0 1.8 4.1 839 548 A 125 LEU HDx% A 81 LEU HDy% 1.0 1.8 4.1 840 548 A 125 LEU HDx% A 81 LEU HDx% 1.0 1.8 4.1 841 549 A 94 TRP HE1 A 81 LEU HDy% 1.0 1.8 5.2 842 549 A 81 LEU HDx% A 94 TRP HE1 1.0 1.8 5.2 843 550 A 81 LEU HDx% A 98 GLY HAx 1.0 1.8 4.2 844 550 A 81 LEU HDy% A 98 GLY HAx 1.0 1.8 4.2 845 550 A 98 GLY HAy A 81 LEU HDy% 1.0 1.8 4.2 846 550 A 81 LEU HDx% A 98 GLY HAy 1.0 1.8 4.2 847 551 A 81 LEU HDy% A 99 TYR HBx 1.0 1.8 3.9 848 551 A 81 LEU HDx% A 99 TYR HBx 1.0 1.8 3.9 849 551 A 99 TYR HBy A 81 LEU HDy% 1.0 1.8 3.9 850 551 A 99 TYR HBy A 81 LEU HDx% 1.0 1.8 3.9 851 552 A 82 VAL H A 82 VAL HB 1.0 1.8 3.9 852 553 A 82 VAL H A 82 VAL HGx% 1.0 1.8 3.4 853 553 A 82 VAL H A 82 VAL HGy% 1.0 1.8 3.4 854 554 A 82 VAL H A 83 LYS H 1.0 1.8 3.4 855 555 A 82 VAL H A 83 LYS HA 1.0 1.8 5.5 856 556 A 82 VAL HB A 83 LYS H 1.0 1.8 4.0 857 557 A 82 VAL HB A 83 LYS HBx 1.0 1.8 4.0 858 557 A 82 VAL HB A 83 LYS HBy 1.0 1.8 4.0 859 558 A 114 TYR H A 82 VAL HGx% 1.0 1.8 5.5 860 558 A 82 VAL HGy% A 114 TYR H 1.0 1.8 5.5 861 559 A 114 TYR HD% A 82 VAL HGx% 1.0 1.8 4.5 862 559 A 82 VAL HGy% A 114 TYR HD% 1.0 1.8 4.5 863 560 A 83 LYS H A 82 VAL HGx% 1.0 1.8 3.7 864 560 A 82 VAL HGy% A 83 LYS H 1.0 1.8 3.7 865 561 A 98 GLY H A 82 VAL HGx% 1.0 1.8 4.4 866 561 A 82 VAL HGy% A 98 GLY H 1.0 1.8 4.4 867 562 A 82 VAL HGy% A 98 GLY HAx 1.0 1.8 3.9 868 562 A 82 VAL HGx% A 98 GLY HAx 1.0 1.8 3.9 869 562 A 98 GLY HAy A 82 VAL HGx% 1.0 1.8 3.9 870 562 A 82 VAL HGy% A 98 GLY HAy 1.0 1.8 3.9 871 563 A 83 LYS H A 83 LYS HBx 1.0 1.8 3.6 872 563 A 83 LYS H A 83 LYS HBy 1.0 1.8 3.6 873 564 A 83 LYS H A 83 LYS HGx 1.0 1.8 5.2 874 564 A 83 LYS H A 83 LYS HGy 1.0 1.8 5.2 875 565 A 83 LYS H A 84 LYS H 1.0 1.8 5.1 876 566 A 83 LYS HA A 83 LYS HGx 1.0 1.8 3.9 877 566 A 83 LYS HA A 83 LYS HGy 1.0 1.8 3.9 878 567 A 83 LYS HA A 84 LYS H 1.0 1.8 3.3 879 568 A 83 LYS HBx A 83 LYS HDx 1.0 1.8 2.5 880 568 A 83 LYS HBy A 83 LYS HDx 1.0 1.8 2.5 881 568 A 83 LYS HDy A 83 LYS HBx 1.0 1.8 2.5 882 568 A 83 LYS HBy A 83 LYS HDy 1.0 1.8 2.5 883 569 A 83 LYS HBy A 83 LYS HGx 1.0 1.8 2.9 884 569 A 83 LYS HBx A 83 LYS HGx 1.0 1.8 2.9 885 569 A 83 LYS HGy A 83 LYS HBx 1.0 1.8 2.9 886 569 A 83 LYS HBy A 83 LYS HGy 1.0 1.8 2.9 887 570 A 84 LYS H A 83 LYS HBx 1.0 1.9 3.9 888 570 A 83 LYS HBy A 84 LYS H 1.0 1.9 3.9 889 571 A 84 LYS H A 84 LYS HBx 1.0 1.8 3.8 890 571 A 84 LYS H A 84 LYS HBy 1.0 1.8 3.8 891 572 A 84 LYS H A 84 LYS HDx 1.0 1.8 3.9 892 572 A 84 LYS H A 84 LYS HDy 1.0 1.8 3.9 893 573 A 84 LYS H A 84 LYS HGx 1.0 1.8 5.1 894 573 A 84 LYS H A 84 LYS HGy 1.0 1.8 5.1 895 574 A 84 LYS HA A 84 LYS HDx 1.0 1.8 4.3 896 574 A 84 LYS HDy A 84 LYS HA 1.0 1.8 4.3 897 575 A 84 LYS HA A 85 PRO HA 1.0 1.8 4.5 898 576 A 94 TRP HD1 A 84 LYS HA 1.0 1.8 4.5 899 577 A 94 TRP HE1 A 84 LYS HA 1.0 1.8 5.0 900 578 A 84 LYS HA A 94 TRP HZ2 1.0 1.8 4.9 901 579 A 84 LYS HBx A 84 LYS HDx 1.0 1.8 3.7 902 579 A 84 LYS HBy A 84 LYS HDx 1.0 1.8 3.7 903 579 A 84 LYS HDy A 84 LYS HBx 1.0 1.8 3.7 904 579 A 84 LYS HBy A 84 LYS HDy 1.0 1.8 3.7 905 580 A 84 LYS HBx A 84 LYS HEx 1.0 1.8 3.4 906 580 A 84 LYS HBy A 84 LYS HEx 1.0 1.8 3.4 907 580 A 84 LYS HEy A 84 LYS HBx 1.0 1.8 3.4 908 580 A 84 LYS HBy A 84 LYS HEy 1.0 1.8 3.4 909 581 A 94 TRP HD1 A 84 LYS HGx 1.0 1.8 5.5 910 581 A 94 TRP HD1 A 84 LYS HGy 1.0 1.8 5.5 911 582 A 86 THR H A 85 PRO HA 1.0 1.8 3.0 912 583 A 85 PRO HA A 86 THR HG2% 1.0 1.8 4.5 913 584 A 85 PRO HBy A 86 THR H 1.0 1.8 4.4 914 585 A 86 THR H A 85 PRO HBx 1.0 1.8 4.4 915 586 A 94 TRP HD1 A 85 PRO HBx 1.0 1.8 4.2 916 586 A 94 TRP HD1 A 85 PRO HBy 1.0 1.8 4.2 917 587 A 86 THR H A 86 THR HB 1.0 1.8 3.9 918 588 A 86 THR H A 86 THR HG2% 1.0 1.8 3.5 919 589 A 86 THR HG2% A 86 THR HA 1.0 1.8 3.3 920 590 A 86 THR HA A 87 GLY H 1.0 1.8 3.5 921 591 A 86 THR HB A 87 GLY H 1.0 1.8 4.2 922 592 A 86 THR HG2% A 87 GLY H 1.0 1.8 3.8 923 593 A 88 ASN H A 87 GLY HAy 1.0 1.8 3.2 924 593 A 87 GLY HAx A 88 ASN H 1.0 1.8 3.2 925 594 A 88 ASN H A 88 ASN HBy 1.0 1.8 4.0 926 595 A 88 ASN H A 88 ASN HBx 1.0 1.8 4.0 927 596 A 88 ASN H A 88 ASN HD2y 1.0 1.8 4.8 928 597 A 88 ASN H A 88 ASN HD2x 1.0 1.8 4.8 929 598 A 88 ASN H A 88 ASN HBx 1.0 1.8 3.5 930 598 A 88 ASN H A 88 ASN HBy 1.0 1.8 3.5 931 599 A 89 PRO HA A 90 GLN HGy 1.0 1.8 4.6 932 599 A 89 PRO HA A 90 GLN HGx 1.0 1.8 4.6 933 600 A 90 GLN H A 89 PRO HBy 1.0 1.8 4.1 934 600 A 89 PRO HBx A 90 GLN H 1.0 1.8 4.1 935 601 A 90 GLN H A 90 GLN HGy 1.0 1.8 4.5 936 602 A 90 GLN H A 90 GLN HGx 1.0 1.8 4.5 937 603 A 90 GLN H A 90 GLN HBx 1.0 1.8 3.7 938 603 A 90 GLN H A 90 GLN HBy 1.0 1.8 3.7 939 604 A 90 GLN H A 90 GLN HGy 1.0 1.8 4.7 940 604 A 90 GLN H A 90 GLN HGx 1.0 1.8 4.7 941 605 A 90 GLN HBy A 90 GLN HE2x 1.0 1.8 4.4 942 605 A 90 GLN HE2x A 90 GLN HBx 1.0 1.8 4.4 943 605 A 90 GLN HE2y A 90 GLN HBx 1.0 1.8 4.4 944 605 A 90 GLN HBy A 90 GLN HE2y 1.0 1.8 4.4 945 606 A 90 GLN HE2y A 90 GLN HGy 1.0 1.8 3.8 946 606 A 90 GLN HGx A 90 GLN HE2y 1.0 1.8 3.8 947 607 A 90 GLN HE2x A 90 GLN HGy 1.0 1.8 3.8 948 607 A 90 GLN HGx A 90 GLN HE2x 1.0 1.8 3.8 949 608 A 90 GLN HE2x A 90 GLN HGy 1.0 1.8 3.2 950 608 A 90 GLN HGx A 90 GLN HE2y 1.0 1.8 3.2 951 608 A 90 GLN HGx A 90 GLN HE2x 1.0 1.8 3.2 952 608 A 90 GLN HE2y A 90 GLN HGy 1.0 1.8 3.2 953 609 A 91 PRO HA A 92 LYS H 1.0 1.8 3.3 954 610 A 92 LYS H A 92 LYS HBx 1.0 1.8 3.5 955 610 A 92 LYS H A 92 LYS HBy 1.0 1.8 3.5 956 611 A 92 LYS H A 92 LYS HDx 1.0 1.8 5.2 957 611 A 92 LYS H A 92 LYS HDy 1.0 1.8 5.2 958 612 A 92 LYS H A 92 LYS HGx 1.0 1.8 4.6 959 612 A 92 LYS HGy A 92 LYS H 1.0 1.8 4.6 960 613 A 92 LYS H A 93 ASN H 1.0 1.8 4.2 961 614 A 92 LYS HA A 92 LYS HGx 1.0 1.8 3.2 962 614 A 92 LYS HGy A 92 LYS HA 1.0 1.8 3.2 963 615 A 93 ASN H A 92 LYS HA 1.0 1.8 3.4 964 616 A 92 LYS HBy A 92 LYS HDx 1.0 1.8 2.9 965 616 A 92 LYS HBx A 92 LYS HDx 1.0 1.8 2.9 966 616 A 92 LYS HDy A 92 LYS HBx 1.0 1.8 2.9 967 616 A 92 LYS HBy A 92 LYS HDy 1.0 1.8 2.9 968 617 A 92 LYS HBy A 92 LYS HEx 1.0 1.8 4.0 969 617 A 92 LYS HBx A 92 LYS HEx 1.0 1.8 4.0 970 617 A 92 LYS HEy A 92 LYS HBx 1.0 1.8 4.0 971 617 A 92 LYS HEy A 92 LYS HBy 1.0 1.8 4.0 972 618 A 93 ASN H A 92 LYS HBx 1.0 1.7 4.5 973 618 A 92 LYS HBy A 93 ASN H 1.0 1.7 4.5 974 619 A 92 LYS HEy A 92 LYS HGx 1.0 1.8 3.5 975 619 A 92 LYS HEx A 92 LYS HGx 1.0 1.8 3.5 976 619 A 92 LYS HGy A 92 LYS HEx 1.0 1.8 3.5 977 619 A 92 LYS HEy A 92 LYS HGy 1.0 1.8 3.5 978 620 A 93 ASN H A 93 ASN HBy 1.0 1.8 4.1 979 621 A 93 ASN H A 93 ASN HBx 1.0 1.8 4.1 980 622 A 93 ASN H A 93 ASN HD2y 1.0 1.8 4.3 981 622 A 93 ASN H A 93 ASN HD2x 1.0 1.8 4.3 982 623 A 93 ASN H A 94 TRP H 1.0 1.8 4.7 983 624 A 93 ASN HA A 93 ASN HD2y 1.0 1.8 3.8 984 624 A 93 ASN HD2x A 93 ASN HA 1.0 1.8 3.8 985 625 A 93 ASN HBy A 93 ASN HD2y 1.0 1.8 2.9 986 625 A 93 ASN HBx A 93 ASN HD2y 1.0 1.8 2.9 987 625 A 93 ASN HD2x A 93 ASN HBx 1.0 1.8 2.9 988 625 A 93 ASN HD2x A 93 ASN HBy 1.0 1.8 2.9 989 626 A 94 TRP H A 94 TRP HBy 1.0 1.8 3.8 990 627 A 94 TRP H A 94 TRP HBx 1.0 1.8 3.8 991 628 A 94 TRP HD1 A 94 TRP H 1.0 1.8 4.8 992 629 A 94 TRP H A 94 TRP HE3 1.0 1.8 4.9 993 630 A 94 TRP H A 95 ASN H 1.0 1.8 5.3 994 631 A 94 TRP HD1 A 94 TRP HA 1.0 1.8 4.2 995 632 A 94 TRP HE1 A 94 TRP HA 1.0 1.8 5.3 996 633 A 95 ASN H A 94 TRP HA 1.0 1.8 3.5 997 634 A 99 TYR HH A 94 TRP HA 1.0 1.8 4.7 998 635 A 99 TYR HD% A 94 TRP HA 1.0 1.8 4.6 999 636 A 99 TYR HE% A 94 TRP HA 1.0 1.8 5.2 1000 637 A 94 TRP HD1 A 95 ASN H 1.0 1.8 3.9 1001 638 A 94 TRP HD1 A 99 TYR HD% 1.0 1.8 5.1 1002 639 A 99 TYR HE% A 94 TRP HD1 1.0 1.8 5.1 1003 640 A 94 TRP HE3 A 94 TRP HBx 1.0 1.8 3.6 1004 640 A 94 TRP HE3 A 94 TRP HBy 1.0 1.8 3.6 1005 641 A 95 ASN H A 95 ASN HD2x 1.0 1.8 5.2 1006 642 A 99 TYR HH A 95 ASN H 1.0 1.8 4.6 1007 643 A 99 TYR HD% A 95 ASN H 1.0 1.8 5.1 1008 644 A 95 ASN HD2x A 95 ASN HA 1.0 1.8 5.2 1009 645 A 95 ASN HA A 95 ASN HD2y 1.0 1.8 4.7 1010 646 A 95 ASN HA A 96 LYS H 1.0 1.8 3.1 1011 647 A 95 ASN HA A 96 LYS HGx 1.0 1.8 4.6 1012 647 A 95 ASN HA A 96 LYS HGy 1.0 1.8 4.6 1013 648 A 99 TYR HH A 95 ASN HA 1.0 1.8 5.6 1014 649 A 99 TYR HH A 95 ASN HBy 1.0 1.8 5.2 1015 650 A 99 TYR HH A 95 ASN HBx 1.0 1.8 5.2 1016 651 A 98 GLY H A 95 ASN HD2y 1.0 1.8 5.7 1017 652 A 96 LYS H A 95 ASN HBx 1.0 1.8 4.4 1018 652 A 96 LYS H A 95 ASN HBy 1.0 1.8 4.4 1019 653 A 98 GLY H A 95 ASN HBx 1.0 1.8 5.4 1020 653 A 98 GLY H A 95 ASN HBy 1.0 1.8 5.4 1021 654 A 99 TYR H A 95 ASN HBx 1.0 1.8 4.7 1022 654 A 95 ASN HBy A 99 TYR H 1.0 1.8 4.7 1023 655 A 99 TYR HH A 95 ASN HBx 1.0 1.8 4.4 1024 655 A 99 TYR HH A 95 ASN HBy 1.0 1.8 4.4 1025 656 A 96 LYS H A 96 LYS HBx 1.0 1.8 3.4 1026 656 A 96 LYS H A 96 LYS HBy 1.0 1.8 3.4 1027 657 A 96 LYS H A 96 LYS HGx 1.0 1.8 3.7 1028 657 A 96 LYS H A 96 LYS HGy 1.0 1.8 3.7 1029 658 A 96 LYS H A 97 ASP H 1.0 1.8 4.6 1030 659 A 96 LYS HA A 96 LYS HBx 1.0 1.8 3.0 1031 659 A 96 LYS HBy A 96 LYS HA 1.0 1.8 3.0 1032 660 A 96 LYS HA A 96 LYS HDx 1.0 1.8 4.4 1033 660 A 96 LYS HA A 96 LYS HDy 1.0 1.8 4.4 1034 661 A 96 LYS HA A 97 ASP HA 1.0 1.8 4.8 1035 662 A 98 GLY H A 96 LYS HA 1.0 1.8 4.3 1036 663 A 114 TYR HE% A 96 LYS HBx 1.0 1.8 5.6 1037 663 A 96 LYS HBy A 114 TYR HE% 1.0 1.8 5.6 1038 664 A 96 LYS HBx A 96 LYS HDx 1.0 1.8 2.6 1039 664 A 96 LYS HBy A 96 LYS HDx 1.0 1.8 2.6 1040 664 A 96 LYS HDy A 96 LYS HBx 1.0 1.8 2.6 1041 664 A 96 LYS HBy A 96 LYS HDy 1.0 1.8 2.6 1042 665 A 97 ASP H A 96 LYS HBx 1.0 1.8 4.1 1043 665 A 96 LYS HBy A 97 ASP H 1.0 1.8 4.1 1044 666 A 114 TYR HE% A 96 LYS HGx 1.0 1.8 5.5 1045 666 A 96 LYS HGy A 114 TYR HE% 1.0 1.8 5.5 1046 667 A 96 LYS HDy A 96 LYS HGx 1.0 1.8 2.5 1047 667 A 96 LYS HDx A 96 LYS HGx 1.0 1.8 2.5 1048 667 A 96 LYS HGy A 96 LYS HDx 1.0 1.8 2.5 1049 667 A 96 LYS HGy A 96 LYS HDy 1.0 1.8 2.5 1050 668 A 97 ASP H A 96 LYS HGx 1.0 1.8 3.9 1051 668 A 96 LYS HGy A 97 ASP H 1.0 1.8 3.9 1052 669 A 114 TYR HD% A 97 ASP H 1.0 1.8 5.5 1053 670 A 97 ASP H A 97 ASP HBy 1.0 1.8 3.8 1054 671 A 97 ASP H A 97 ASP HBx 1.0 1.8 3.8 1055 672 A 98 GLY H A 97 ASP H 1.0 1.8 3.7 1056 673 A 98 GLY H A 97 ASP HBx 1.0 1.8 4.3 1057 673 A 98 GLY H A 97 ASP HBy 1.0 1.8 4.3 1058 674 A 98 GLY H A 114 TYR HBx 1.0 1.8 5.2 1059 674 A 98 GLY H A 114 TYR HBy 1.0 1.8 5.2 1060 675 A 114 TYR HD% A 98 GLY H 1.0 1.8 4.2 1061 676 A 98 GLY H A 99 TYR H 1.0 1.8 3.0 1062 677 A 99 TYR HBy A 98 GLY H 1.0 1.8 5.5 1063 678 A 98 GLY HAy A 114 TYR HBx 1.0 1.8 4.4 1064 678 A 98 GLY HAx A 114 TYR HBx 1.0 1.8 4.4 1065 678 A 114 TYR HBy A 98 GLY HAx 1.0 1.8 4.4 1066 678 A 98 GLY HAy A 114 TYR HBy 1.0 1.8 4.4 1067 679 A 114 TYR HD% A 98 GLY HAx 1.0 1.8 3.7 1068 679 A 98 GLY HAy A 114 TYR HD% 1.0 1.8 3.7 1069 680 A 99 TYR H A 114 TYR HE% 1.0 1.8 5.6 1070 681 A 99 TYR HD% A 99 TYR H 1.0 1.8 5.1 1071 682 A 99 TYR HE% A 99 TYR H 1.0 1.8 5.4 1072 683 A 99 TYR H A 100 LEU H 1.0 1.8 4.4 1073 684 A 99 TYR HA A 100 LEU HBy 1.0 1.8 4.6 1074 684 A 99 TYR HA A 100 LEU HBx 1.0 1.8 4.6 1075 685 A 99 TYR HBy A 100 LEU H 1.0 1.8 4.9 1076 686 A 100 LEU H A 99 TYR HBx 1.0 1.8 4.9 1077 687 A 99 TYR HH A 99 TYR HBx 1.0 1.8 5.5 1078 687 A 99 TYR HBy A 99 TYR HH 1.0 1.8 5.5 1079 688 A 100 LEU H A 99 TYR HBx 1.0 1.8 4.3 1080 688 A 99 TYR HBy A 100 LEU H 1.0 1.8 4.3 1081 689 A 100 LEU H A 100 LEU HG 1.0 1.8 4.7 1082 690 A 100 LEU H A 100 LEU HBy 1.0 1.8 3.6 1083 690 A 100 LEU H A 100 LEU HBx 1.0 1.8 3.6 1084 691 A 100 LEU H A 100 LEU HDx% 1.0 1.8 4.8 1085 691 A 100 LEU HDy% A 100 LEU H 1.0 1.8 4.8 1086 692 A 100 LEU H A 101 LYS HA 1.0 1.8 5.3 1087 693 A 100 LEU HG A 100 LEU HA 1.0 1.8 3.2 1088 694 A 100 LEU HA A 100 LEU HDx% 1.0 1.8 4.0 1089 694 A 100 LEU HDy% A 100 LEU HA 1.0 1.8 4.0 1090 695 A 100 LEU HA A 101 LYS HGx 1.0 1.8 4.2 1091 695 A 101 LYS HGy A 100 LEU HA 1.0 1.8 4.2 1092 696 A 100 LEU HDy% A 101 LYS HGx 1.0 1.8 3.8 1093 696 A 100 LEU HDx% A 101 LYS HGx 1.0 1.8 3.8 1094 696 A 101 LYS HGy A 100 LEU HDx% 1.0 1.8 3.8 1095 696 A 101 LYS HGy A 100 LEU HDy% 1.0 1.8 3.8 1096 697 A 102 LYS H A 100 LEU HDx% 1.0 1.8 5.5 1097 697 A 100 LEU HDy% A 102 LYS H 1.0 1.8 5.5 1098 698 A 103 LEU H A 100 LEU HDx% 1.0 1.8 4.8 1099 698 A 100 LEU HDy% A 103 LEU H 1.0 1.8 4.8 1100 699 A 101 LYS H A 101 LYS HBx 1.0 1.9 3.8 1101 699 A 101 LYS HBy A 101 LYS H 1.0 1.9 3.8 1102 700 A 101 LYS H A 101 LYS HDx 1.0 1.8 5.5 1103 700 A 101 LYS H A 101 LYS HDy 1.0 1.8 5.5 1104 701 A 101 LYS H A 101 LYS HGx 1.0 1.8 4.0 1105 701 A 101 LYS HGy A 101 LYS H 1.0 1.8 4.0 1106 702 A 102 LYS H A 101 LYS H 1.0 1.8 4.6 1107 703 A 101 LYS HA A 101 LYS HBx 1.0 1.8 3.0 1108 703 A 101 LYS HBy A 101 LYS HA 1.0 1.8 3.0 1109 704 A 101 LYS HBy A 101 LYS HDx 1.0 1.8 3.3 1110 704 A 101 LYS HBx A 101 LYS HDx 1.0 1.8 3.3 1111 704 A 101 LYS HDy A 101 LYS HBx 1.0 1.8 3.3 1112 704 A 101 LYS HBy A 101 LYS HDy 1.0 1.8 3.3 1113 705 A 102 LYS H A 101 LYS HBx 1.0 1.8 3.6 1114 705 A 101 LYS HBy A 102 LYS H 1.0 1.8 3.6 1115 706 A 101 LYS HBy A 103 LEU HBy 1.0 1.8 3.6 1116 706 A 101 LYS HBx A 103 LEU HBy 1.0 1.8 3.6 1117 706 A 103 LEU HBx A 101 LYS HBx 1.0 1.8 3.6 1118 706 A 101 LYS HBy A 103 LEU HBx 1.0 1.8 3.6 1119 707 A 102 LYS H A 101 LYS HDx 1.0 1.8 3.7 1120 707 A 102 LYS H A 101 LYS HDy 1.0 1.8 3.7 1121 708 A 102 LYS H A 101 LYS HGx 1.0 1.8 5.0 1122 708 A 101 LYS HGy A 102 LYS H 1.0 1.8 5.0 1123 709 A 102 LYS H A 102 LYS HDy 1.0 1.8 4.2 1124 710 A 102 LYS H A 102 LYS HDx 1.0 1.8 4.2 1125 711 A 102 LYS H A 102 LYS HBx 1.0 1.8 2.9 1126 711 A 102 LYS H A 102 LYS HBy 1.0 1.8 2.9 1127 712 A 102 LYS H A 102 LYS HDx 1.0 1.8 3.2 1128 712 A 102 LYS H A 102 LYS HDy 1.0 1.8 3.2 1129 713 A 102 LYS H A 102 LYS HGy 1.0 1.8 3.7 1130 713 A 102 LYS H A 102 LYS HGx 1.0 1.8 3.7 1131 714 A 102 LYS H A 103 LEU H 1.0 1.8 5.0 1132 715 A 102 LYS H A 103 LEU HDy% 1.0 1.8 5.4 1133 715 A 102 LYS H A 103 LEU HDx% 1.0 1.8 5.4 1134 716 A 102 LYS HA A 102 LYS HBx 1.0 1.8 2.9 1135 716 A 102 LYS HBy A 102 LYS HA 1.0 1.8 2.9 1136 717 A 102 LYS HA A 102 LYS HDx 1.0 1.8 3.9 1137 717 A 102 LYS HDy A 102 LYS HA 1.0 1.8 3.9 1138 718 A 102 LYS HA A 102 LYS HGy 1.0 1.8 3.5 1139 718 A 102 LYS HGx A 102 LYS HA 1.0 1.8 3.5 1140 719 A 103 LEU H A 102 LYS HA 1.0 1.8 3.4 1141 720 A 102 LYS HBx A 102 LYS HDx 1.0 1.8 3.5 1142 720 A 102 LYS HBy A 102 LYS HDx 1.0 1.8 3.5 1143 720 A 102 LYS HDy A 102 LYS HBx 1.0 1.8 3.5 1144 720 A 102 LYS HBy A 102 LYS HDy 1.0 1.8 3.5 1145 721 A 102 LYS HBy A 102 LYS HEx 1.0 1.8 3.3 1146 721 A 102 LYS HBx A 102 LYS HEx 1.0 1.8 3.3 1147 721 A 102 LYS HEy A 102 LYS HBx 1.0 1.8 3.3 1148 721 A 102 LYS HBy A 102 LYS HEy 1.0 1.8 3.3 1149 722 A 103 LEU H A 102 LYS HBx 1.0 1.8 4.2 1150 722 A 103 LEU H A 102 LYS HBy 1.0 1.8 4.2 1151 723 A 103 LEU H A 102 LYS HDx 1.0 1.8 4.8 1152 723 A 103 LEU H A 102 LYS HDy 1.0 1.8 4.8 1153 724 A 102 LYS HEy A 102 LYS HGy 1.0 1.8 3.6 1154 724 A 102 LYS HEx A 102 LYS HGy 1.0 1.8 3.6 1155 724 A 102 LYS HGx A 102 LYS HEx 1.0 1.8 3.6 1156 724 A 102 LYS HGx A 102 LYS HEy 1.0 1.8 3.6 1157 725 A 103 LEU H A 102 LYS HGy 1.0 1.8 4.7 1158 725 A 103 LEU H A 102 LYS HGx 1.0 1.8 4.7 1159 726 A 103 LEU H A 103 LEU HBy 1.0 1.9 3.9 1160 727 A 103 LEU H A 103 LEU HBx 1.0 1.9 3.9 1161 728 A 103 LEU H A 103 LEU HG 1.0 1.8 4.4 1162 729 A 103 LEU H A 103 LEU HBy 1.0 1.8 3.3 1163 729 A 103 LEU H A 103 LEU HBx 1.0 1.8 3.3 1164 730 A 103 LEU H A 103 LEU HDx% 1.0 1.8 5.1 1165 731 A 103 LEU H A 103 LEU HDy% 1.0 1.8 5.1 1166 732 A 103 LEU H A 103 LEU HDy% 1.0 1.8 4.5 1167 732 A 103 LEU H A 103 LEU HDx% 1.0 1.8 4.5 1168 733 A 103 LEU H A 104 PRO HDx 1.0 1.8 5.5 1169 733 A 103 LEU H A 104 PRO HDy 1.0 1.8 5.5 1170 734 A 103 LEU HDx% A 103 LEU HA 1.0 1.8 4.6 1171 735 A 103 LEU HA A 103 LEU HDy% 1.0 1.8 4.6 1172 736 A 103 LEU HA A 103 LEU HDy% 1.0 1.8 3.7 1173 736 A 103 LEU HDx% A 103 LEU HA 1.0 1.8 3.7 1174 737 A 103 LEU HA A 104 PRO HDx 1.0 1.8 4.0 1175 737 A 104 PRO HDy A 103 LEU HA 1.0 1.8 4.0 1176 738 A 103 LEU HDx% A 104 PRO HBy 1.0 1.8 5.3 1177 738 A 104 PRO HBx A 103 LEU HDy% 1.0 1.8 5.3 1178 738 A 103 LEU HDx% A 104 PRO HBx 1.0 1.8 5.3 1179 738 A 103 LEU HDy% A 104 PRO HBy 1.0 1.8 5.3 1180 739 A 103 LEU HDx% A 104 PRO HDx 1.0 1.8 3.8 1181 739 A 103 LEU HDy% A 104 PRO HDx 1.0 1.8 3.8 1182 739 A 104 PRO HDy A 103 LEU HDy% 1.0 1.8 3.8 1183 739 A 103 LEU HDx% A 104 PRO HDy 1.0 1.8 3.8 1184 740 A 104 PRO HA A 105 VAL H 1.0 1.8 3.0 1185 741 A 104 PRO HA A 105 VAL HA 1.0 1.8 4.8 1186 742 A 104 PRO HA A 105 VAL HGx% 1.0 1.8 4.8 1187 742 A 104 PRO HA A 105 VAL HGy% 1.0 1.8 4.8 1188 743 A 104 PRO HBx A 105 VAL HA 1.0 1.8 4.7 1189 744 A 105 VAL H A 104 PRO HBy 1.0 1.8 3.3 1190 744 A 104 PRO HBx A 105 VAL H 1.0 1.8 3.3 1191 745 A 105 VAL H A 105 VAL HB 1.0 1.8 4.1 1192 746 A 105 VAL H A 105 VAL HGx% 1.0 1.8 3.4 1193 746 A 105 VAL H A 105 VAL HGy% 1.0 1.8 3.4 1194 747 A 105 VAL HA A 106 ASP H 1.0 1.8 3.1 1195 748 A 105 VAL HA A 106 ASP HA 1.0 1.8 5.2 1196 749 A 105 VAL HA A 111 PRO HA 1.0 1.8 5.0 1197 750 A 105 VAL HA A 105 VAL HB 1.0 1.8 3.0 1198 751 A 105 VAL HB A 106 ASP H 1.0 1.8 4.0 1199 752 A 105 VAL HB A 111 PRO HA 1.0 1.8 4.4 1200 753 A 109 GLY HAy A 105 VAL HGx% 1.0 1.8 3.4 1201 754 A 110 ASN H A 105 VAL HGx% 1.0 1.8 4.5 1202 755 A 105 VAL HGy% A 109 GLY HAy 1.0 1.8 5.1 1203 756 A 106 ASP H A 105 VAL HGx% 1.0 1.8 3.3 1204 756 A 105 VAL HGy% A 106 ASP H 1.0 1.8 3.3 1205 757 A 109 GLY H A 105 VAL HGx% 1.0 1.8 5.4 1206 757 A 105 VAL HGy% A 109 GLY H 1.0 1.8 5.4 1207 758 A 105 VAL HGy% A 109 GLY HAx 1.0 1.8 4.7 1208 758 A 105 VAL HGx% A 109 GLY HAx 1.0 1.8 4.7 1209 758 A 109 GLY HAy A 105 VAL HGx% 1.0 1.8 4.7 1210 758 A 105 VAL HGy% A 109 GLY HAy 1.0 1.8 4.7 1211 759 A 110 ASN H A 105 VAL HGx% 1.0 1.8 4.6 1212 759 A 105 VAL HGy% A 110 ASN H 1.0 1.8 4.6 1213 760 A 110 ASN HA A 105 VAL HGx% 1.0 1.8 5.4 1214 760 A 105 VAL HGy% A 110 ASN HA 1.0 1.8 5.4 1215 761 A 111 PRO HA A 105 VAL HGx% 1.0 1.8 3.6 1216 761 A 105 VAL HGy% A 111 PRO HA 1.0 1.8 3.6 1217 762 A 105 VAL HGy% A 111 PRO HBx 1.0 1.8 4.8 1218 762 A 105 VAL HGx% A 111 PRO HBx 1.0 1.8 4.8 1219 762 A 111 PRO HBy A 105 VAL HGx% 1.0 1.8 4.8 1220 762 A 105 VAL HGy% A 111 PRO HBy 1.0 1.8 4.8 1221 763 A 112 TYR H A 105 VAL HGx% 1.0 1.8 4.3 1222 763 A 105 VAL HGy% A 112 TYR H 1.0 1.8 4.3 1223 764 A 112 TYR HD% A 105 VAL HGx% 1.0 1.8 4.7 1224 764 A 105 VAL HGy% A 112 TYR HD% 1.0 1.8 4.7 1225 765 A 112 TYR HE% A 105 VAL HGx% 1.0 1.8 4.9 1226 765 A 105 VAL HGy% A 112 TYR HE% 1.0 1.8 4.9 1227 766 A 113 GLN H A 105 VAL HGx% 1.0 1.8 5.6 1228 766 A 105 VAL HGy% A 113 GLN H 1.0 1.8 5.6 1229 767 A 106 ASP H A 107 PRO HDx 1.0 1.8 4.9 1230 767 A 106 ASP H A 107 PRO HDy 1.0 1.8 4.9 1231 768 A 106 ASP H A 111 PRO HA 1.0 1.8 4.3 1232 769 A 106 ASP H A 112 TYR H 1.0 1.8 5.1 1233 770 A 106 ASP H A 112 TYR HBy 1.0 1.8 5.2 1234 770 A 106 ASP H A 112 TYR HBx 1.0 1.8 5.2 1235 771 A 108 TRP HH2 A 106 ASP HBx 1.0 1.8 5.2 1236 771 A 108 TRP HH2 A 106 ASP HBy 1.0 1.8 5.2 1237 772 A 108 TRP HZ3 A 106 ASP HBx 1.0 1.8 4.2 1238 772 A 106 ASP HBy A 108 TRP HZ3 1.0 1.8 4.2 1239 773 A 108 TRP H A 107 PRO HA 1.0 1.8 3.3 1240 774 A 107 PRO HA A 109 GLY H 1.0 1.8 4.2 1241 775 A 108 TRP HA A 107 PRO HBx 1.0 1.8 3.9 1242 775 A 107 PRO HBy A 108 TRP HA 1.0 1.8 3.9 1243 776 A 108 TRP H A 108 TRP HD1 1.0 1.8 4.6 1244 777 A 108 TRP H A 108 TRP HBx 1.0 1.8 3.8 1245 777 A 108 TRP H A 108 TRP HBy 1.0 1.8 3.8 1246 778 A 108 TRP HA A 108 TRP HD1 1.0 1.8 3.3 1247 779 A 108 TRP HE1 A 108 TRP HA 1.0 1.8 5.1 1248 780 A 108 TRP HA A 108 TRP HE3 1.0 1.8 5.3 1249 781 A 109 GLY H A 108 TRP HD1 1.0 1.8 5.5 1250 782 A 108 TRP HD1 A 130 ALA HA 1.0 1.8 4.7 1251 783 A 108 TRP HD1 A 130 ALA HB% 1.0 1.8 3.7 1252 784 A 108 TRP HE1 A 130 ALA HB% 1.0 1.8 3.8 1253 785 A 109 GLY H A 108 TRP HE3 1.0 1.8 5.5 1254 786 A 110 ASN H A 108 TRP HE3 1.0 1.8 3.8 1255 787 A 108 TRP HE3 A 143 ILE HG1x 1.0 1.8 5.1 1256 787 A 143 ILE HG1y A 108 TRP HE3 1.0 1.8 5.1 1257 788 A 108 TRP HH2 A 129 GLY HAx 1.0 1.8 4.6 1258 788 A 108 TRP HH2 A 129 GLY HAy 1.0 1.8 4.6 1259 789 A 108 TRP HH2 A 143 ILE HG1x 1.0 1.8 4.0 1260 789 A 108 TRP HH2 A 143 ILE HG1y 1.0 1.8 4.0 1261 790 A 108 TRP HH2 A 143 ILE HG2% 1.0 1.8 3.9 1262 791 A 108 TRP HZ2 A 130 ALA HB% 1.0 1.8 3.6 1263 792 A 108 TRP HZ3 A 129 GLY HAx 1.0 1.8 4.3 1264 792 A 108 TRP HZ3 A 129 GLY HAy 1.0 1.8 4.3 1265 793 A 143 ILE HD1% A 108 TRP HZ3 1.0 1.8 4.8 1266 794 A 108 TRP HZ3 A 143 ILE HG1x 1.0 1.8 3.8 1267 794 A 143 ILE HG1y A 108 TRP HZ3 1.0 1.8 3.8 1268 795 A 143 ILE HG2% A 108 TRP HZ3 1.0 1.8 4.3 1269 796 A 108 TRP HE3 A 108 TRP HBx 1.0 1.8 3.7 1270 796 A 108 TRP HBy A 108 TRP HE3 1.0 1.8 3.7 1271 797 A 109 GLY H A 108 TRP HBx 1.0 1.8 5.2 1272 797 A 109 GLY H A 108 TRP HBy 1.0 1.8 5.2 1273 798 A 110 ASN H A 109 GLY H 1.0 1.8 3.2 1274 799 A 110 ASN H A 110 ASN HBy 1.0 1.8 3.5 1275 799 A 110 ASN H A 110 ASN HBx 1.0 1.8 3.5 1276 800 A 110 ASN H A 110 ASN HD2y 1.0 1.8 4.9 1277 800 A 110 ASN H A 110 ASN HD2x 1.0 1.8 4.9 1278 801 A 110 ASN H A 128 LEU HBx 1.0 1.8 5.6 1279 801 A 110 ASN H A 128 LEU HBy 1.0 1.8 5.6 1280 802 A 110 ASN HA A 111 PRO HDy 1.0 1.8 3.9 1281 803 A 110 ASN HA A 111 PRO HDx 1.0 1.8 3.9 1282 804 A 110 ASN HA A 111 PRO HDx 1.0 1.8 3.3 1283 804 A 110 ASN HA A 111 PRO HDy 1.0 1.8 3.3 1284 805 A 110 ASN HD2x A 128 LEU HBx 1.0 1.8 4.4 1285 805 A 110 ASN HD2y A 128 LEU HBx 1.0 1.8 4.4 1286 805 A 128 LEU HBy A 110 ASN HD2y 1.0 1.8 4.4 1287 805 A 110 ASN HD2x A 128 LEU HBy 1.0 1.8 4.4 1288 806 A 111 PRO HA A 112 TYR H 1.0 1.8 3.5 1289 807 A 111 PRO HBy A 112 TYR H 1.0 1.8 4.3 1290 808 A 112 TYR H A 111 PRO HBx 1.0 1.8 4.3 1291 809 A 112 TYR H A 111 PRO HBx 1.0 1.8 3.5 1292 809 A 111 PRO HBy A 112 TYR H 1.0 1.8 3.5 1293 810 A 112 TYR H A 112 TYR HBy 1.0 1.8 3.5 1294 810 A 112 TYR H A 112 TYR HBx 1.0 1.8 3.5 1295 811 A 112 TYR H A 127 SER HBx 1.0 1.8 5.5 1296 811 A 112 TYR H A 127 SER HBy 1.0 1.8 5.5 1297 812 A 113 GLN H A 112 TYR HA 1.0 1.8 3.5 1298 813 A 112 TYR HA A 113 GLN HGy 1.0 1.9 3.9 1299 813 A 112 TYR HA A 113 GLN HGx 1.0 1.9 3.9 1300 814 A 126 TYR H A 112 TYR HA 1.0 1.8 5.3 1301 815 A 112 TYR HA A 127 SER HA 1.0 1.8 4.8 1302 816 A 126 TYR H A 112 TYR HD% 1.0 1.8 4.7 1303 817 A 112 TYR HD% A 126 TYR HA 1.0 1.8 4.3 1304 818 A 112 TYR HD% A 127 SER H 1.0 1.8 5.5 1305 819 A 112 TYR HE% A 126 TYR HA 1.0 1.8 5.2 1306 820 A 113 GLN H A 113 GLN HGy 1.0 1.8 4.0 1307 821 A 113 GLN H A 113 GLN HGx 1.0 1.8 4.0 1308 822 A 114 TYR H A 113 GLN H 1.0 1.8 5.5 1309 823 A 126 TYR H A 113 GLN H 1.0 1.8 4.8 1310 824 A 113 GLN HA A 113 GLN HE2x 1.0 1.8 5.5 1311 825 A 113 GLN HA A 113 GLN HE2y 1.0 1.8 5.5 1312 826 A 114 TYR H A 113 GLN HA 1.0 1.8 3.2 1313 827 A 114 TYR HD% A 113 GLN HA 1.0 1.8 4.7 1314 828 A 126 TYR HE% A 113 GLN HGy 1.0 1.8 4.7 1315 829 A 113 GLN HGx A 126 TYR HE% 1.0 1.8 4.7 1316 830 A 114 TYR H A 113 GLN HBx 1.0 1.8 4.4 1317 830 A 114 TYR H A 113 GLN HBy 1.0 1.8 4.4 1318 831 A 126 TYR H A 113 GLN HBx 1.0 1.8 4.8 1319 831 A 126 TYR H A 113 GLN HBy 1.0 1.8 4.8 1320 832 A 127 SER H A 113 GLN HBx 1.0 1.8 5.5 1321 832 A 127 SER H A 113 GLN HBy 1.0 1.8 5.5 1322 833 A 113 GLN HE2y A 128 LEU HBx 1.0 1.8 4.5 1323 833 A 128 LEU HBy A 113 GLN HE2y 1.0 1.8 4.5 1324 833 A 113 GLN HE2x A 128 LEU HBx 1.0 1.8 4.5 1325 833 A 128 LEU HBy A 113 GLN HE2x 1.0 1.8 4.5 1326 834 A 113 GLN HE2x A 128 LEU HDx% 1.0 1.8 4.1 1327 834 A 113 GLN HE2x A 128 LEU HDy% 1.0 1.8 4.1 1328 834 A 113 GLN HE2y A 128 LEU HDx% 1.0 1.8 4.1 1329 834 A 113 GLN HE2y A 128 LEU HDy% 1.0 1.8 4.1 1330 835 A 126 TYR HD% A 113 GLN HGy 1.0 1.8 4.2 1331 835 A 113 GLN HGx A 126 TYR HD% 1.0 1.8 4.2 1332 836 A 126 TYR HE% A 113 GLN HGy 1.0 1.8 4.0 1333 836 A 113 GLN HGx A 126 TYR HE% 1.0 1.8 4.0 1334 837 A 127 SER H A 113 GLN HGy 1.0 1.8 5.3 1335 837 A 113 GLN HGx A 127 SER H 1.0 1.8 5.3 1336 838 A 127 SER HA A 113 GLN HGy 1.0 1.8 4.9 1337 838 A 113 GLN HGx A 127 SER HA 1.0 1.8 4.9 1338 839 A 113 GLN HGx A 128 LEU HDy% 1.0 1.8 3.7 1339 839 A 113 GLN HGy A 128 LEU HDy% 1.0 1.8 3.7 1340 839 A 128 LEU HDx% A 113 GLN HGy 1.0 1.8 3.7 1341 839 A 113 GLN HGx A 128 LEU HDx% 1.0 1.8 3.7 1342 840 A 114 TYR H A 114 TYR HBx 1.0 1.9 3.8 1343 840 A 114 TYR H A 114 TYR HBy 1.0 1.9 3.8 1344 841 A 114 TYR H A 114 TYR HD% 1.0 1.8 4.2 1345 842 A 114 TYR H A 125 LEU HDy% 1.0 1.8 5.4 1346 842 A 125 LEU HDx% A 114 TYR H 1.0 1.8 5.4 1347 843 A 114 TYR HA A 115 LEU H 1.0 1.8 3.5 1348 844 A 114 TYR HA A 125 LEU HA 1.0 1.8 4.7 1349 845 A 114 TYR HA A 125 LEU HDy% 1.0 1.8 4.7 1350 845 A 125 LEU HDx% A 114 TYR HA 1.0 1.8 4.7 1351 846 A 126 TYR H A 114 TYR HA 1.0 1.8 5.0 1352 847 A 115 LEU H A 114 TYR HBx 1.0 1.8 4.5 1353 847 A 114 TYR HBy A 115 LEU H 1.0 1.8 4.5 1354 848 A 114 TYR HBx A 125 LEU HDy% 1.0 1.8 5.4 1355 848 A 114 TYR HBy A 125 LEU HDy% 1.0 1.8 5.4 1356 848 A 125 LEU HDx% A 114 TYR HBx 1.0 1.8 5.4 1357 848 A 125 LEU HDx% A 114 TYR HBy 1.0 1.8 5.4 1358 849 A 115 LEU H A 115 LEU HG 1.0 1.8 3.5 1359 850 A 115 LEU H A 115 LEU HDx% 1.0 1.8 4.1 1360 850 A 115 LEU HDy% A 115 LEU H 1.0 1.8 4.1 1361 851 A 115 LEU H A 124 ASP H 1.0 1.8 4.1 1362 852 A 115 LEU H A 124 ASP HBy 1.0 1.8 5.3 1363 852 A 115 LEU H A 124 ASP HBx 1.0 1.8 5.3 1364 853 A 115 LEU H A 125 LEU HA 1.0 1.8 5.3 1365 854 A 115 LEU HA A 115 LEU HDx% 1.0 1.8 3.3 1366 854 A 115 LEU HA A 115 LEU HDy% 1.0 1.8 3.3 1367 855 A 116 ALA H A 115 LEU HA 1.0 1.8 3.1 1368 856 A 115 LEU HDy% A 115 LEU HBy 1.0 1.8 3.5 1369 856 A 115 LEU HBy A 115 LEU HDx% 1.0 1.8 3.5 1370 857 A 115 LEU HDy% A 115 LEU HBx 1.0 1.8 3.5 1371 857 A 115 LEU HBx A 115 LEU HDx% 1.0 1.8 3.5 1372 858 A 116 ALA H A 115 LEU HG 1.0 1.8 5.3 1373 859 A 124 ASP H A 115 LEU HBy 1.0 1.8 5.0 1374 859 A 124 ASP H A 115 LEU HBx 1.0 1.8 5.0 1375 860 A 124 ASP HA A 115 LEU HBy 1.0 1.8 5.3 1376 860 A 115 LEU HBx A 124 ASP HA 1.0 1.8 5.3 1377 861 A 116 ALA H A 115 LEU HDx% 1.0 1.8 4.0 1378 861 A 116 ALA H A 115 LEU HDy% 1.0 1.8 4.0 1379 862 A 126 TYR HD% A 115 LEU HDx% 1.0 1.8 4.5 1380 862 A 115 LEU HDy% A 126 TYR HD% 1.0 1.8 4.5 1381 863 A 126 TYR HE% A 115 LEU HDx% 1.0 1.8 4.4 1382 863 A 115 LEU HDy% A 126 TYR HE% 1.0 1.8 4.4 1383 864 A 116 ALA H A 116 ALA HB% 1.0 1.8 3.9 1384 865 A 116 ALA H A 117 PRO HDx 1.0 1.8 4.1 1385 865 A 116 ALA H A 117 PRO HDy 1.0 1.8 4.1 1386 866 A 124 ASP H A 116 ALA HA 1.0 1.8 5.4 1387 867 A 116 ALA HB% A 117 PRO HDx 1.0 1.8 4.0 1388 867 A 116 ALA HB% A 117 PRO HDy 1.0 1.8 4.0 1389 868 A 116 ALA HB% A 118 GLY H 1.0 1.8 5.4 1390 869 A 116 ALA HB% A 123 PHE HA 1.0 1.8 4.3 1391 870 A 123 PHE HBy A 116 ALA HB% 1.0 1.8 4.2 1392 871 A 116 ALA HB% A 123 PHE HBx 1.0 1.8 4.2 1393 872 A 116 ALA HB% A 123 PHE HBx 1.0 1.8 3.6 1394 872 A 123 PHE HBy A 116 ALA HB% 1.0 1.8 3.6 1395 873 A 123 PHE HD% A 116 ALA HB% 1.0 1.8 5.3 1396 874 A 124 ASP H A 116 ALA HB% 1.0 1.8 4.5 1397 875 A 117 PRO HA A 119 THR H 1.0 1.8 4.7 1398 876 A 118 GLY H A 117 PRO HBy 1.0 1.8 4.4 1399 877 A 121 GLY HAy A 117 PRO HBy 1.0 1.8 4.9 1400 877 A 117 PRO HBy A 121 GLY HAx 1.0 1.8 4.9 1401 878 A 118 GLY H A 117 PRO HBx 1.0 1.8 4.4 1402 879 A 121 GLY HAy A 117 PRO HBx 1.0 1.8 4.2 1403 879 A 117 PRO HBx A 121 GLY HAx 1.0 1.8 4.2 1404 880 A 118 GLY H A 117 PRO HBx 1.0 1.8 3.6 1405 880 A 118 GLY H A 117 PRO HBy 1.0 1.8 3.6 1406 881 A 118 GLY H A 119 THR H 1.0 1.8 4.7 1407 882 A 118 GLY H A 123 PHE H 1.0 1.8 5.5 1408 883 A 120 LYS H A 118 GLY HAy 1.0 1.8 5.5 1409 884 A 120 LYS H A 118 GLY HAx 1.0 1.8 5.5 1410 885 A 121 GLY H A 118 GLY HAx 1.0 1.8 4.4 1411 885 A 118 GLY HAy A 121 GLY H 1.0 1.8 4.4 1412 886 A 119 THR H A 119 THR HB 1.0 1.8 3.9 1413 887 A 119 THR H A 119 THR HG2% 1.0 1.8 3.9 1414 888 A 119 THR H A 120 LYS H 1.0 1.8 4.4 1415 889 A 119 THR H A 121 GLY H 1.0 1.8 4.5 1416 890 A 119 THR HG2% A 119 THR HA 1.0 1.8 3.0 1417 891 A 121 GLY H A 119 THR HA 1.0 1.8 4.3 1418 892 A 120 LYS H A 119 THR HB 1.0 1.7 4.2 1419 893 A 119 THR HB A 120 LYS HGx 1.0 1.8 3.7 1420 893 A 119 THR HB A 120 LYS HGy 1.0 1.8 3.7 1421 894 A 121 GLY H A 119 THR HB 1.0 1.8 5.0 1422 895 A 120 LYS H A 119 THR HG2% 1.0 1.8 4.6 1423 896 A 120 LYS H A 120 LYS HBx 1.0 1.8 3.5 1424 896 A 120 LYS H A 120 LYS HBy 1.0 1.8 3.5 1425 897 A 120 LYS H A 120 LYS HDx 1.0 1.8 5.5 1426 897 A 120 LYS H A 120 LYS HDy 1.0 1.8 5.5 1427 898 A 120 LYS H A 120 LYS HGx 1.0 1.8 4.4 1428 898 A 120 LYS H A 120 LYS HGy 1.0 1.8 4.4 1429 899 A 120 LYS H A 121 GLY H 1.0 1.8 3.4 1430 900 A 120 LYS HA A 120 LYS HGx 1.0 1.8 3.5 1431 900 A 120 LYS HGy A 120 LYS HA 1.0 1.8 3.5 1432 901 A 121 GLY H A 120 LYS HA 1.0 1.8 3.5 1433 902 A 121 GLY H A 120 LYS HBy 1.0 1.8 4.7 1434 903 A 121 GLY H A 120 LYS HBx 1.0 1.8 4.7 1435 904 A 120 LYS HBx A 120 LYS HDx 1.0 1.8 3.5 1436 904 A 120 LYS HBy A 120 LYS HDx 1.0 1.8 3.5 1437 904 A 120 LYS HDy A 120 LYS HBx 1.0 1.8 3.5 1438 904 A 120 LYS HBy A 120 LYS HDy 1.0 1.8 3.5 1439 905 A 121 GLY H A 120 LYS HBx 1.0 1.8 4.0 1440 905 A 121 GLY H A 120 LYS HBy 1.0 1.8 4.0 1441 906 A 121 GLY H A 120 LYS HGx 1.0 1.8 4.8 1442 906 A 121 GLY H A 120 LYS HGy 1.0 1.8 4.8 1443 907 A 121 GLY H A 122 PRO HDy 1.0 1.8 4.9 1444 908 A 121 GLY H A 122 PRO HDx 1.0 1.8 4.9 1445 909 A 121 GLY H A 122 PRO HDx 1.0 1.8 4.2 1446 909 A 121 GLY H A 122 PRO HDy 1.0 1.8 4.2 1447 910 A 121 GLY HAx A 122 PRO HDx 1.0 1.8 3.3 1448 910 A 121 GLY HAy A 122 PRO HDx 1.0 1.8 3.3 1449 910 A 122 PRO HDy A 121 GLY HAx 1.0 1.8 3.3 1450 910 A 121 GLY HAy A 122 PRO HDy 1.0 1.8 3.3 1451 911 A 123 PHE H A 121 GLY HAx 1.0 1.8 3.8 1452 911 A 121 GLY HAy A 123 PHE H 1.0 1.8 3.8 1453 912 A 121 GLY HAy A 148 ASN HBx 1.0 1.8 5.3 1454 912 A 121 GLY HAx A 148 ASN HBx 1.0 1.8 5.3 1455 912 A 148 ASN HBy A 121 GLY HAx 1.0 1.8 5.3 1456 912 A 121 GLY HAy A 148 ASN HBy 1.0 1.8 5.3 1457 913 A 123 PHE HD% A 122 PRO HA 1.0 1.8 5.5 1458 914 A 122 PRO HBy A 123 PHE H 1.0 1.8 4.1 1459 915 A 123 PHE H A 122 PRO HBx 1.0 1.8 4.1 1460 916 A 123 PHE HD% A 122 PRO HBx 1.0 1.8 5.0 1461 916 A 123 PHE HD% A 122 PRO HBy 1.0 1.8 5.0 1462 917 A 123 PHE H A 122 PRO HDx 1.0 1.8 3.9 1463 917 A 123 PHE H A 122 PRO HDy 1.0 1.8 3.9 1464 918 A 123 PHE H A 122 PRO HGx 1.0 1.8 4.4 1465 918 A 123 PHE H A 122 PRO HGy 1.0 1.8 4.4 1466 919 A 123 PHE HD% A 123 PHE H 1.0 1.8 4.5 1467 920 A 124 ASP H A 123 PHE H 1.0 1.8 4.5 1468 921 A 123 PHE HD% A 123 PHE HA 1.0 1.8 4.8 1469 922 A 123 PHE HBy A 124 ASP H 1.0 1.8 4.7 1470 923 A 124 ASP H A 123 PHE HBx 1.0 1.8 4.7 1471 924 A 124 ASP H A 123 PHE HBx 1.0 1.8 3.9 1472 924 A 123 PHE HBy A 124 ASP H 1.0 1.8 3.9 1473 925 A 123 PHE HZ A 123 PHE HD% 1.0 1.8 3.8 1474 926 A 123 PHE HD% A 124 ASP H 1.0 1.8 4.5 1475 927 A 123 PHE HD% A 125 LEU H 1.0 1.8 4.9 1476 928 A 123 PHE HD% A 125 LEU HG 1.0 1.8 5.5 1477 929 A 123 PHE HD% A 145 ASN HD2y 1.0 1.8 5.2 1478 929 A 123 PHE HD% A 145 ASN HD2x 1.0 1.8 5.2 1479 930 A 123 PHE HE% A 125 LEU HDy% 1.0 1.8 5.4 1480 930 A 125 LEU HDx% A 123 PHE HE% 1.0 1.8 5.4 1481 931 A 123 PHE HE% A 145 ASN HD2y 1.0 1.8 4.3 1482 931 A 123 PHE HE% A 145 ASN HD2x 1.0 1.8 4.3 1483 932 A 124 ASP H A 124 ASP HBy 1.0 1.8 3.3 1484 932 A 124 ASP H A 124 ASP HBx 1.0 1.8 3.3 1485 933 A 126 TYR HD% A 124 ASP HA 1.0 1.8 5.0 1486 934 A 126 TYR HE% A 124 ASP HA 1.0 1.8 5.4 1487 935 A 124 ASP HA A 146 TRP HE3 1.0 1.8 5.1 1488 936 A 124 ASP HA A 146 TRP HZ3 1.0 1.8 4.9 1489 937 A 125 LEU H A 124 ASP HBy 1.0 1.8 4.2 1490 937 A 124 ASP HBx A 125 LEU H 1.0 1.8 4.2 1491 938 A 126 TYR H A 124 ASP HBy 1.0 1.8 5.3 1492 938 A 126 TYR H A 124 ASP HBx 1.0 1.8 5.3 1493 939 A 126 TYR HD% A 124 ASP HBy 1.0 1.8 3.6 1494 939 A 126 TYR HD% A 124 ASP HBx 1.0 1.8 3.6 1495 940 A 126 TYR HE% A 124 ASP HBy 1.0 1.8 4.1 1496 940 A 126 TYR HE% A 124 ASP HBx 1.0 1.8 4.1 1497 941 A 146 TRP HZ3 A 124 ASP HBy 1.0 1.8 4.0 1498 941 A 124 ASP HBx A 146 TRP HZ3 1.0 1.8 4.0 1499 942 A 125 LEU H A 125 LEU HG 1.0 1.8 4.8 1500 943 A 125 LEU H A 125 LEU HDy% 1.0 1.8 4.9 1501 943 A 125 LEU HDx% A 125 LEU H 1.0 1.8 4.9 1502 944 A 126 TYR HD% A 125 LEU H 1.0 1.8 4.7 1503 945 A 125 LEU H A 145 ASN H 1.0 1.8 5.0 1504 946 A 125 LEU H A 146 TRP HZ3 1.0 1.8 5.5 1505 947 A 125 LEU HA A 125 LEU HDy% 1.0 1.8 3.7 1506 947 A 125 LEU HDx% A 125 LEU HA 1.0 1.8 3.7 1507 948 A 126 TYR HD% A 125 LEU HA 1.0 1.8 5.0 1508 949 A 125 LEU HG A 145 ASN HD2y 1.0 1.8 5.5 1509 950 A 125 LEU HG A 145 ASN HD2x 1.0 1.8 5.5 1510 951 A 125 LEU HG A 145 ASN HD2y 1.0 1.8 4.8 1511 951 A 125 LEU HG A 145 ASN HD2x 1.0 1.8 4.8 1512 952 A 126 TYR H A 125 LEU HDx% 1.0 1.8 4.8 1513 953 A 126 TYR H A 125 LEU HDy% 1.0 1.8 4.8 1514 954 A 126 TYR H A 125 LEU HDy% 1.0 1.8 4.0 1515 954 A 126 TYR H A 125 LEU HDx% 1.0 1.8 4.0 1516 955 A 126 TYR HA A 125 LEU HDy% 1.0 1.7 4.2 1517 955 A 125 LEU HDx% A 126 TYR HA 1.0 1.7 4.2 1518 956 A 127 SER H A 125 LEU HDy% 1.0 1.8 5.4 1519 956 A 125 LEU HDx% A 127 SER H 1.0 1.8 5.4 1520 957 A 145 ASN H A 125 LEU HDy% 1.0 1.8 4.6 1521 957 A 125 LEU HDx% A 145 ASN H 1.0 1.8 4.6 1522 958 A 126 TYR H A 126 TYR HD% 1.0 1.8 4.2 1523 959 A 126 TYR H A 126 TYR HE% 1.0 1.8 5.1 1524 960 A 126 TYR HA A 144 GLY HAx 1.0 1.8 4.7 1525 960 A 126 TYR HA A 144 GLY HAy 1.0 1.8 4.7 1526 961 A 126 TYR HA A 145 ASN H 1.0 1.8 5.2 1527 962 A 127 SER H A 126 TYR HBx 1.0 1.8 5.1 1528 962 A 127 SER H A 126 TYR HBy 1.0 1.8 5.1 1529 963 A 146 TRP HE3 A 126 TYR HBx 1.0 1.8 4.2 1530 963 A 146 TRP HE3 A 126 TYR HBy 1.0 1.8 4.2 1531 964 A 146 TRP HZ3 A 126 TYR HBx 1.0 1.8 4.5 1532 964 A 146 TRP HZ3 A 126 TYR HBy 1.0 1.8 4.5 1533 965 A 127 SER H A 126 TYR HD% 1.0 1.8 4.5 1534 966 A 126 TYR HD% A 128 LEU HA 1.0 1.8 4.6 1535 967 A 126 TYR HD% A 128 LEU HG 1.0 1.8 4.7 1536 968 A 126 TYR HD% A 128 LEU HDy% 1.0 1.8 3.9 1537 968 A 128 LEU HDx% A 126 TYR HD% 1.0 1.8 3.9 1538 969 A 126 TYR HD% A 134 GLU HA 1.0 1.8 5.0 1539 970 A 126 TYR HD% A 142 ASP HA 1.0 1.8 5.2 1540 971 A 126 TYR HD% A 146 TRP HH2 1.0 1.8 5.4 1541 972 A 126 TYR HE% A 128 LEU HA 1.0 1.8 4.6 1542 973 A 126 TYR HE% A 128 LEU HG 1.0 1.8 5.0 1543 974 A 126 TYR HE% A 128 LEU HDy% 1.0 1.8 3.4 1544 974 A 126 TYR HE% A 128 LEU HDx% 1.0 1.8 3.4 1545 975 A 126 TYR HE% A 134 GLU HA 1.0 1.8 4.7 1546 976 A 126 TYR HE% A 134 GLU HGx 1.0 1.8 5.5 1547 976 A 126 TYR HE% A 134 GLU HGy 1.0 1.8 5.5 1548 977 A 126 TYR HE% A 146 TRP HH2 1.0 1.8 5.5 1549 978 A 127 SER H A 128 LEU HDy% 1.0 1.8 5.4 1550 978 A 127 SER H A 128 LEU HDx% 1.0 1.8 5.4 1551 979 A 127 SER H A 142 ASP HA 1.0 1.8 5.5 1552 980 A 127 SER H A 143 ILE H 1.0 1.8 5.2 1553 981 A 127 SER H A 144 GLY HAx 1.0 1.8 5.2 1554 981 A 127 SER H A 144 GLY HAy 1.0 1.8 5.2 1555 982 A 128 LEU HG A 128 LEU H 1.0 1.8 4.2 1556 983 A 128 LEU HDx% A 128 LEU H 1.0 1.8 4.7 1557 984 A 128 LEU H A 128 LEU HDy% 1.0 1.8 4.7 1558 985 A 128 LEU H A 128 LEU HDy% 1.0 1.8 4.8 1559 985 A 128 LEU HDx% A 128 LEU H 1.0 1.8 4.8 1560 986 A 128 LEU H A 129 GLY H 1.0 1.8 4.7 1561 987 A 128 LEU HA A 128 LEU HG 1.0 1.8 3.9 1562 988 A 128 LEU HDx% A 128 LEU HA 1.0 1.8 4.4 1563 989 A 128 LEU HA A 128 LEU HDy% 1.0 1.8 4.4 1564 990 A 128 LEU HA A 128 LEU HDy% 1.0 1.8 3.3 1565 990 A 128 LEU HDx% A 128 LEU HA 1.0 1.8 3.3 1566 991 A 128 LEU HA A 129 GLY HAx 1.0 1.8 4.6 1567 991 A 129 GLY HAy A 128 LEU HA 1.0 1.8 4.6 1568 992 A 128 LEU HA A 134 GLU HBx 1.0 1.8 4.1 1569 992 A 128 LEU HA A 134 GLU HBy 1.0 1.8 4.1 1570 993 A 128 LEU HA A 142 ASP HBx 1.0 1.8 3.6 1571 993 A 128 LEU HA A 142 ASP HBy 1.0 1.8 3.6 1572 994 A 129 GLY H A 128 LEU HBx 1.0 1.8 3.6 1573 994 A 128 LEU HBy A 129 GLY H 1.0 1.8 3.6 1574 995 A 132 GLY H A 128 LEU HBx 1.0 1.8 5.5 1575 995 A 128 LEU HBy A 132 GLY H 1.0 1.8 5.5 1576 996 A 128 LEU HDx% A 134 GLU H 1.0 1.8 5.5 1577 997 A 134 GLU H A 128 LEU HDy% 1.0 1.8 5.5 1578 998 A 128 LEU HDx% A 132 GLY HAy 1.0 1.8 3.8 1579 998 A 128 LEU HDy% A 132 GLY HAy 1.0 1.8 3.8 1580 998 A 132 GLY HAx A 128 LEU HDy% 1.0 1.8 3.8 1581 998 A 128 LEU HDx% A 132 GLY HAx 1.0 1.8 3.8 1582 999 A 133 LYS H A 128 LEU HDy% 1.0 1.8 4.4 1583 999 A 128 LEU HDx% A 133 LYS H 1.0 1.8 4.4 1584 1000 A 133 LYS HA A 128 LEU HDy% 1.0 1.8 4.2 1585 1000 A 128 LEU HDx% A 133 LYS HA 1.0 1.8 4.2 1586 1001 A 134 GLU H A 128 LEU HDy% 1.0 1.7 4.5 1587 1001 A 128 LEU HDx% A 134 GLU H 1.0 1.7 4.5 1588 1002 A 134 GLU HA A 128 LEU HDy% 1.0 1.8 3.8 1589 1002 A 128 LEU HDx% A 134 GLU HA 1.0 1.8 3.8 1590 1003 A 128 LEU HDx% A 134 GLU HBx 1.0 1.8 4.0 1591 1003 A 128 LEU HDy% A 134 GLU HBx 1.0 1.8 4.0 1592 1003 A 134 GLU HBy A 128 LEU HDy% 1.0 1.8 4.0 1593 1003 A 128 LEU HDx% A 134 GLU HBy 1.0 1.8 4.0 1594 1004 A 128 LEU HDx% A 134 GLU HGx 1.0 1.8 4.3 1595 1004 A 128 LEU HDy% A 134 GLU HGx 1.0 1.8 4.3 1596 1004 A 134 GLU HGy A 128 LEU HDy% 1.0 1.8 4.3 1597 1004 A 128 LEU HDx% A 134 GLU HGy 1.0 1.8 4.3 1598 1005 A 135 GLY H A 128 LEU HDy% 1.0 1.8 5.4 1599 1005 A 128 LEU HDx% A 135 GLY H 1.0 1.8 5.4 1600 1006 A 129 GLY H A 130 ALA H 1.0 1.8 4.8 1601 1007 A 129 GLY H A 131 ASP H 1.0 1.8 5.5 1602 1008 A 129 GLY H A 143 ILE HG1x 1.0 1.8 5.5 1603 1008 A 143 ILE HG1y A 129 GLY H 1.0 1.8 5.5 1604 1009 A 143 ILE HG2% A 129 GLY H 1.0 1.8 5.5 1605 1010 A 131 ASP H A 129 GLY HAx 1.0 1.8 4.4 1606 1010 A 129 GLY HAy A 131 ASP H 1.0 1.8 4.4 1607 1011 A 139 ASN HD2y A 129 GLY HAx 1.0 1.8 5.1 1608 1011 A 129 GLY HAy A 139 ASN HD2y 1.0 1.8 5.1 1609 1012 A 130 ALA HB% A 130 ALA H 1.0 1.8 3.5 1610 1013 A 130 ALA H A 131 ASP H 1.0 1.8 4.2 1611 1014 A 130 ALA H A 139 ASN HBx 1.0 1.8 5.2 1612 1014 A 130 ALA H A 139 ASN HBy 1.0 1.8 5.2 1613 1015 A 130 ALA H A 140 ASP HA 1.0 1.8 4.9 1614 1016 A 130 ALA HB% A 131 ASP H 1.0 1.8 3.7 1615 1017 A 130 ALA HB% A 139 ASN HD2y 1.0 1.8 4.1 1616 1018 A 130 ALA HB% A 139 ASN HD2x 1.0 1.8 3.9 1617 1019 A 130 ALA HB% A 139 ASN HBx 1.0 1.8 4.0 1618 1019 A 130 ALA HB% A 139 ASN HBy 1.0 1.8 4.0 1619 1020 A 130 ALA HB% A 139 ASN HD2y 1.0 1.8 3.7 1620 1020 A 130 ALA HB% A 139 ASN HD2x 1.0 1.8 3.7 1621 1021 A 131 ASP H A 131 ASP HBy 1.0 1.8 3.6 1622 1021 A 131 ASP H A 131 ASP HBx 1.0 1.8 3.6 1623 1022 A 132 GLY H A 131 ASP HBy 1.0 1.8 4.3 1624 1022 A 132 GLY H A 131 ASP HBx 1.0 1.8 4.3 1625 1023 A 133 LYS H A 133 LYS HBx 1.0 1.8 3.7 1626 1023 A 133 LYS H A 133 LYS HBy 1.0 1.8 3.7 1627 1024 A 133 LYS H A 133 LYS HGy 1.0 1.8 4.6 1628 1024 A 133 LYS H A 133 LYS HGx 1.0 1.8 4.6 1629 1025 A 134 GLU H A 133 LYS H 1.0 1.8 5.5 1630 1026 A 134 GLU H A 133 LYS HBy 1.0 1.8 4.3 1631 1027 A 134 GLU H A 133 LYS HBx 1.0 1.8 4.3 1632 1028 A 133 LYS HBy A 133 LYS HDx 1.0 1.8 3.6 1633 1028 A 133 LYS HBx A 133 LYS HDx 1.0 1.8 3.6 1634 1028 A 133 LYS HDy A 133 LYS HBx 1.0 1.8 3.6 1635 1028 A 133 LYS HBy A 133 LYS HDy 1.0 1.8 3.6 1636 1029 A 133 LYS HBy A 133 LYS HEx 1.0 1.8 4.1 1637 1029 A 133 LYS HBx A 133 LYS HEx 1.0 1.8 4.1 1638 1029 A 133 LYS HEy A 133 LYS HBx 1.0 1.8 4.1 1639 1029 A 133 LYS HBy A 133 LYS HEy 1.0 1.8 4.1 1640 1030 A 134 GLU H A 133 LYS HBx 1.0 1.8 3.7 1641 1030 A 134 GLU H A 133 LYS HBy 1.0 1.8 3.7 1642 1031 A 134 GLU H A 133 LYS HGy 1.0 1.8 5.3 1643 1031 A 134 GLU H A 133 LYS HGx 1.0 1.8 5.3 1644 1032 A 134 GLU H A 134 GLU HBx 1.0 1.8 3.6 1645 1032 A 134 GLU HBy A 134 GLU H 1.0 1.8 3.6 1646 1033 A 134 GLU H A 134 GLU HGx 1.0 1.8 4.3 1647 1033 A 134 GLU HGy A 134 GLU H 1.0 1.8 4.3 1648 1034 A 134 GLU HA A 134 GLU HGx 1.0 1.8 3.9 1649 1034 A 134 GLU HA A 134 GLU HGy 1.0 1.8 3.9 1650 1035 A 134 GLU HA A 135 GLY H 1.0 1.8 3.4 1651 1036 A 135 GLY H A 134 GLU HBx 1.0 1.8 4.0 1652 1036 A 134 GLU HBy A 135 GLY H 1.0 1.8 4.0 1653 1037 A 135 GLY H A 134 GLU HGx 1.0 1.8 4.9 1654 1037 A 134 GLU HGy A 135 GLY H 1.0 1.8 4.9 1655 1038 A 135 GLY H A 136 GLY H 1.0 1.8 4.7 1656 1039 A 136 GLY H A 135 GLY HAy 1.0 1.8 3.0 1657 1039 A 136 GLY H A 135 GLY HAx 1.0 1.8 3.0 1658 1040 A 136 GLY H A 137 SER H 1.0 1.8 4.7 1659 1041 A 136 GLY H A 137 SER HBy 1.0 1.8 4.6 1660 1041 A 136 GLY H A 137 SER HBx 1.0 1.8 4.6 1661 1042 A 137 SER H A 137 SER HBy 1.0 1.8 4.0 1662 1043 A 137 SER H A 137 SER HBx 1.0 1.8 4.0 1663 1044 A 137 SER H A 137 SER HBy 1.0 1.8 3.3 1664 1044 A 137 SER H A 137 SER HBx 1.0 1.8 3.3 1665 1045 A 137 SER H A 141 ALA HA 1.0 1.8 5.2 1666 1046 A 137 SER H A 141 ALA HB% 1.0 1.8 4.9 1667 1047 A 137 SER HA A 139 ASN H 1.0 1.8 5.3 1668 1048 A 137 SER HA A 140 ASP H 1.0 1.8 5.2 1669 1049 A 137 SER HA A 141 ALA H 1.0 1.8 5.2 1670 1050 A 138 ASP H A 137 SER HBy 1.0 1.8 4.3 1671 1051 A 137 SER HBx A 138 ASP H 1.0 1.8 4.3 1672 1052 A 140 ASP H A 137 SER HBy 1.0 1.8 4.5 1673 1052 A 137 SER HBx A 140 ASP H 1.0 1.8 4.5 1674 1053 A 141 ALA HB% A 138 ASP H 1.0 1.8 4.8 1675 1054 A 138 ASP HA A 140 ASP H 1.0 1.8 4.8 1676 1055 A 138 ASP HBy A 139 ASN H 1.0 1.8 4.3 1677 1056 A 139 ASN H A 138 ASP HBx 1.0 1.8 4.3 1678 1057 A 139 ASN H A 138 ASP HBx 1.0 1.8 3.7 1679 1057 A 138 ASP HBy A 139 ASN H 1.0 1.8 3.7 1680 1058 A 139 ASN H A 140 ASP H 1.0 1.8 4.5 1681 1059 A 139 ASN H A 140 ASP HBy 1.0 1.8 5.0 1682 1059 A 139 ASN H A 140 ASP HBx 1.0 1.8 5.0 1683 1060 A 139 ASN HD2y A 139 ASN HA 1.0 1.8 5.2 1684 1061 A 141 ALA H A 139 ASN HA 1.0 1.8 3.8 1685 1062 A 139 ASN HD2y A 140 ASP HA 1.0 1.8 4.9 1686 1063 A 139 ASN HD2x A 139 ASN HBx 1.0 1.8 3.9 1687 1063 A 139 ASN HBy A 139 ASN HD2x 1.0 1.8 3.9 1688 1064 A 140 ASP H A 139 ASN HBx 1.0 1.8 3.8 1689 1064 A 139 ASN HBy A 140 ASP H 1.0 1.8 3.8 1690 1065 A 140 ASP H A 140 ASP HBy 1.0 1.8 3.4 1691 1065 A 140 ASP H A 140 ASP HBx 1.0 1.8 3.4 1692 1066 A 140 ASP H A 141 ALA H 1.0 1.8 3.3 1693 1067 A 141 ALA HB% A 140 ASP H 1.0 1.8 4.2 1694 1068 A 141 ALA H A 140 ASP HBy 1.0 1.8 3.8 1695 1068 A 141 ALA H A 140 ASP HBx 1.0 1.8 3.8 1696 1069 A 141 ALA HB% A 141 ALA H 1.0 1.8 3.2 1697 1070 A 141 ALA H A 142 ASP H 1.0 1.8 4.8 1698 1071 A 141 ALA HA A 142 ASP H 1.0 1.8 3.2 1699 1072 A 141 ALA HB% A 142 ASP H 1.0 1.8 3.5 1700 1073 A 141 ALA HB% A 142 ASP HBx 1.0 1.8 5.3 1701 1073 A 142 ASP HBy A 141 ALA HB% 1.0 1.8 5.3 1702 1074 A 142 ASP HBy A 142 ASP H 1.0 1.8 4.1 1703 1075 A 142 ASP H A 142 ASP HBx 1.0 1.8 4.1 1704 1076 A 142 ASP H A 142 ASP HBx 1.0 1.8 3.3 1705 1076 A 142 ASP HBy A 142 ASP H 1.0 1.8 3.3 1706 1077 A 142 ASP HA A 143 ILE H 1.0 1.8 3.5 1707 1078 A 143 ILE HD1% A 143 ILE H 1.0 1.8 5.1 1708 1079 A 143 ILE H A 143 ILE HG1x 1.0 1.8 3.8 1709 1079 A 143 ILE HG1y A 143 ILE H 1.0 1.8 3.8 1710 1080 A 143 ILE HG2% A 143 ILE H 1.0 1.8 4.4 1711 1081 A 143 ILE HD1% A 143 ILE HA 1.0 1.8 4.1 1712 1082 A 143 ILE HA A 143 ILE HG1x 1.0 1.8 4.1 1713 1082 A 143 ILE HG1y A 143 ILE HA 1.0 1.8 4.1 1714 1083 A 143 ILE HD1% A 144 GLY H 1.0 1.8 5.3 1715 1084 A 144 GLY H A 143 ILE HG1x 1.0 1.8 5.0 1716 1084 A 143 ILE HG1y A 144 GLY H 1.0 1.8 5.0 1717 1085 A 143 ILE HD1% A 143 ILE HG2% 1.0 1.8 3.2 1718 1086 A 143 ILE HG2% A 143 ILE HG1x 1.0 1.8 3.0 1719 1086 A 143 ILE HG1y A 143 ILE HG2% 1.0 1.8 3.0 1720 1087 A 145 ASN H A 144 GLY HAx 1.0 1.8 3.1 1721 1087 A 145 ASN H A 144 GLY HAy 1.0 1.8 3.1 1722 1088 A 146 TRP H A 145 ASN H 1.0 1.8 4.5 1723 1089 A 146 TRP HE3 A 145 ASN H 1.0 1.8 5.4 1724 1090 A 146 TRP H A 145 ASN HA 1.0 1.8 3.3 1725 1091 A 145 ASN HBy A 146 TRP H 1.0 1.8 4.6 1726 1092 A 146 TRP H A 145 ASN HBx 1.0 1.8 4.6 1727 1093 A 146 TRP H A 145 ASN HBx 1.0 1.8 3.8 1728 1093 A 145 ASN HBy A 146 TRP H 1.0 1.8 3.8 1729 1094 A 146 TRP H A 146 TRP HBy 1.0 1.8 3.9 1730 1094 A 146 TRP H A 146 TRP HBx 1.0 1.8 3.9 1731 1095 A 146 TRP H A 147 ASP H 1.0 1.8 4.6 1732 1096 A 146 TRP HA A 146 TRP HD1 1.0 1.8 4.5 1733 1097 A 146 TRP HE3 A 146 TRP HA 1.0 1.8 4.7 1734 1098 A 147 ASP H A 146 TRP HD1 1.0 1.8 4.4 1735 1099 A 146 TRP HD1 A 147 ASP HBx 1.0 1.8 5.3 1736 1099 A 146 TRP HD1 A 147 ASP HBy 1.0 1.8 5.3 1737 1100 A 146 TRP HD1 A 148 ASN H 1.0 1.8 4.1 1738 1101 A 146 TRP HD1 A 148 ASN HA 1.0 1.8 4.8 1739 1102 A 146 TRP HD1 A 148 ASN HBx 1.0 1.8 4.3 1740 1102 A 148 ASN HBy A 146 TRP HD1 1.0 1.8 4.3 1741 1103 A 146 TRP HE3 A 147 ASP H 1.0 1.8 5.6 1742 1104 A 146 TRP HD1 A 146 TRP HBy 1.0 1.8 3.4 1743 1104 A 146 TRP HBx A 146 TRP HD1 1.0 1.8 3.4 1744 1105 A 146 TRP HE3 A 146 TRP HBy 1.0 1.8 3.6 1745 1105 A 146 TRP HE3 A 146 TRP HBx 1.0 1.8 3.6 1746 1106 A 147 ASP H A 147 ASP HBy 1.0 1.8 4.0 1747 1107 A 147 ASP H A 147 ASP HBx 1.0 1.8 4.0 1748 1108 A 147 ASP H A 147 ASP HBx 1.0 1.8 3.4 1749 1108 A 147 ASP H A 147 ASP HBy 1.0 1.8 3.4 1750 1109 A 147 ASP H A 148 ASN H 1.0 1.8 4.4 1751 1110 A 148 ASN HBy A 148 ASN H 1.0 1.8 3.9 1752 1111 A 148 ASN H A 148 ASN HBx 1.0 1.8 3.9 1753 1112 A 148 ASN H A 148 ASN HBx 1.0 1.8 3.1 1754 1112 A 148 ASN HBy A 148 ASN H 1.0 1.8 3.1 1755 1113 A 148 ASN H A 148 ASN HD2x 1.0 1.8 5.3 1756 1113 A 148 ASN H A 148 ASN HD2y 1.0 1.8 5.3 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 45 ALA H A 41 ARG O 1.0 1.8 2.3 2 2 A 41 ARG O A 45 ALA N 1.0 2.7 3.3 3 3 A 47 VAL H A 43 ASP O 1.0 2.7 3.3 4 4 A 43 ASP O A 47 VAL N 1.0 2.7 3.3 5 5 A 50 ALA H A 46 LYS O 1.0 1.8 2.3 6 6 A 46 LYS O A 50 ALA N 1.0 2.7 3.3 7 7 A 51 LYS H A 47 VAL O 1.0 1.8 2.3 8 8 A 47 VAL O A 51 LYS N 1.0 2.7 3.3 9 9 A 53 ASP H A 49 VAL O 1.0 1.8 2.3 10 10 A 49 VAL O A 53 ASP N 1.0 2.7 3.3 11 11 A 54 ILE H A 50 ALA O 1.0 1.8 2.3 12 12 A 50 ALA O A 54 ILE N 1.0 2.7 3.3 13 13 A 55 LYS H A 51 LYS O 1.0 2.7 3.3 14 14 A 51 LYS O A 55 LYS N 1.0 2.7 3.3 15 15 A 56 ALA H A 52 GLY O 1.0 1.8 2.3 16 16 A 52 GLY O A 56 ALA N 1.0 2.7 3.3 17 17 A 57 ILE H A 53 ASP O 1.0 1.8 2.3 18 18 A 53 ASP O A 57 ILE N 1.0 2.7 3.3 19 19 A 58 ALA H A 54 ILE O 1.0 1.8 2.3 20 20 A 54 ILE O A 58 ALA N 1.0 2.7 3.3 21 21 A 59 ALA H A 55 LYS O 1.0 2.7 3.3 22 22 A 55 LYS O A 59 ALA N 1.0 2.7 3.3 23 23 A 60 ALA H A 56 ALA O 1.0 1.8 2.3 24 24 A 56 ALA O A 60 ALA N 1.0 2.7 3.3 25 25 A 61 LEU H A 57 ILE O 1.0 1.8 2.3 26 26 A 57 ILE O A 61 LEU N 1.0 2.7 3.3 27 27 A 63 MET H A 59 ALA O 1.0 2.7 3.3 28 28 A 59 ALA O A 63 MET N 1.0 2.7 3.3 29 29 A 64 TYR H A 60 ALA O 1.0 1.8 2.3 30 30 A 60 ALA O A 64 TYR N 1.0 2.7 3.3 31 31 A 65 LYS H A 61 LEU O 1.0 1.8 2.3 32 32 A 61 LEU O A 65 LYS N 1.0 2.7 3.3 33 33 A 66 LEU H A 62 ASP O 1.0 1.8 2.3 34 34 A 62 ASP O A 66 LEU N 1.0 2.7 3.3 35 35 A 67 ASP H A 63 MET O 1.0 1.8 2.3 36 36 A 63 MET O A 67 ASP N 1.0 2.7 3.3 37 37 A 68 ASN H A 64 TYR O 1.0 1.8 2.3 38 38 A 64 TYR O A 68 ASN N 1.0 2.7 3.3 39 39 A 73 SER H A 77 GLY N 1.0 1.8 2.3 40 40 A 77 GLY N A 73 SER N 1.0 1.8 3.2 41 41 A 76 GLN H A 73 SER OG 1.0 1.8 2.0 42 42 A 73 SER OG A 76 GLN N 1.0 1.8 3.2 43 43 A 77 GLY H A 73 SER O 1.0 1.8 2.3 44 44 A 77 GLY N A 73 SER O 1.0 2.7 3.3 45 45 A 78 LEU H A 75 GLN O 1.0 2.7 3.3 46 46 A 75 GLN O A 78 LEU N 1.0 2.7 3.3 47 47 A 80 ALA H A 76 GLN O 1.0 1.8 2.3 48 48 A 76 GLN O A 80 ALA N 1.0 2.7 3.3 49 49 A 81 LEU H A 77 GLY O 1.0 1.8 2.3 50 50 A 77 GLY O A 81 LEU N 1.0 2.7 3.3 51 51 A 82 VAL H A 78 LEU O 1.0 1.8 2.3 52 52 A 78 LEU O A 82 VAL N 1.0 2.7 3.3 53 53 A 83 LYS H A 79 GLU O 1.0 1.8 2.3 54 54 A 79 GLU O A 83 LYS N 1.0 2.7 3.3 55 55 A 94 TRP HE1 A 80 ALA O 1.0 1.8 2.3 56 56 A 80 ALA O A 94 TRP NE1 1.0 2.7 3.3 57 57 A 98 GLY H A 81 LEU O 1.0 1.8 2.3 58 58 A 81 LEU O A 98 GLY N 1.0 2.7 3.3 59 59 A 100 LEU H A 95 ASN OD1 1.0 1.8 2.0 60 60 A 95 ASN OD1 A 100 LEU N 1.0 1.8 3.0 61 61 A 103 LEU H A 101 LYS O 1.0 1.8 2.3 62 62 A 101 LYS O A 103 LEU N 1.0 2.7 3.3 63 63 A 106 ASP H A 110 ASN O 1.0 2.7 3.3 64 64 A 110 ASN O A 106 ASP N 1.0 2.7 3.3 65 65 A 110 ASN H A 107 PRO O 1.0 2.7 3.3 66 66 A 107 PRO O A 110 ASN N 1.0 2.7 3.3 67 67 A 113 GLN H A 126 TYR O 1.0 1.8 2.3 68 68 A 126 TYR O A 113 GLN N 1.0 2.7 3.3 69 69 A 115 LEU H A 124 ASP O 1.0 1.8 2.3 70 70 A 124 ASP O A 115 LEU N 1.0 2.7 3.3 71 71 A 116 ALA H A 74 THR OG1 1.0 1.8 2.4 72 72 A 74 THR OG1 A 116 ALA N 1.0 1.8 3.2 73 73 A 118 GLY H A 121 GLY O 1.0 2.7 3.3 74 74 A 121 GLY O A 118 GLY N 1.0 2.7 3.3 75 75 A 123 PHE H A 147 ASP O 1.0 2.7 3.3 76 76 A 147 ASP O A 123 PHE N 1.0 2.7 3.3 77 77 A 124 ASP H A 115 LEU O 1.0 1.8 2.3 78 78 A 115 LEU O A 124 ASP N 1.0 2.7 3.3 79 79 A 125 LEU H A 145 ASN O 1.0 2.7 3.3 80 80 A 145 ASN O A 125 LEU N 1.0 2.7 3.3 81 81 A 126 TYR H A 113 GLN O 1.0 1.8 2.3 82 82 A 113 GLN O A 126 TYR N 1.0 2.7 3.3 83 83 A 127 SER H A 143 ILE O 1.0 1.8 2.3 84 84 A 143 ILE O A 127 SER N 1.0 2.7 3.3 85 85 A 128 LEU H A 113 GLN OE1 1.0 1.8 2.0 86 86 A 113 GLN OE1 A 128 LEU N 1.0 1.8 3.0 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 40 SER N A 40 SER CA A 40 SER C A 41 ARG N 1.0 60.0 216.0 PSI 2 2 A 39 MET C A 40 SER N A 40 SER CA A 40 SER C 1.0 -158.0 -84.0 PHI 3 3 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 PRO N 1.0 95.0 177.0 PSI 4 4 A 40 SER C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -155.0 -25.0 PHI 5 5 A 42 PRO N A 42 PRO CA A 42 PRO C A 43 ASP N 1.0 121.0 171.0 PSI 6 6 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 ALA N 1.0 -35.0 35.0 PSI 7 7 A 43 ASP C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -97.0 -69.0 PHI 8 8 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 VAL N 1.0 -23.0 25.0 PSI 9 9 A 45 ALA C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -94.0 -74.0 PHI 10 10 A 47 VAL N A 47 VAL CA A 47 VAL C A 48 THR N 1.0 -43.0 -11.0 PSI 11 11 A 46 LYS C A 47 VAL N A 47 VAL CA A 47 VAL C 1.0 -74.0 -56.0 PHI 12 12 A 48 THR N A 48 THR CA A 48 THR C A 49 VAL N 1.0 -52.0 2.0 PSI 13 13 A 47 VAL C A 48 THR N A 48 THR CA A 48 THR C 1.0 -80.0 -54.0 PHI 14 14 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 ALA N 1.0 -54.0 -24.0 PSI 15 15 A 48 THR C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -84.0 -60.0 PHI 16 16 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 LYS N 1.0 -47.0 11.0 PSI 17 17 A 49 VAL C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -105.0 -59.0 PHI 18 18 A 51 LYS N A 51 LYS CA A 51 LYS C A 52 GLY N 1.0 -24.0 22.0 PSI 19 19 A 50 ALA C A 51 LYS N A 51 LYS CA A 51 LYS C 1.0 -98.0 -66.0 PHI 20 20 A 54 ILE N A 54 ILE CA A 54 ILE C A 55 LYS N 1.0 -38.0 0.0 PSI 21 21 A 53 ASP C A 54 ILE N A 54 ILE CA A 54 ILE C 1.0 -92.0 -58.0 PHI 22 22 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 ALA N 1.0 -35.0 30.0 PSI 23 23 A 54 ILE C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -96.0 -66.0 PHI 24 24 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 ALA N 1.0 -61.0 -31.0 PSI 25 25 A 56 ALA C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -91.0 -61.0 PHI 26 26 A 58 ALA N A 58 ALA CA A 58 ALA C A 59 ALA N 1.0 -37.0 22.0 PSI 27 27 A 57 ILE C A 58 ALA N A 58 ALA CA A 58 ALA C 1.0 -110.0 -55.0 PHI 28 28 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 LEU N 1.0 -28.0 2.0 PSI 29 29 A 59 ALA C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -100.0 -70.0 PHI 30 30 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 ASP N 1.0 -30.0 45.0 PSI 31 31 A 60 ALA C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -117.0 -65.0 PHI 32 32 A 62 ASP N A 62 ASP CA A 62 ASP C A 63 MET N 1.0 -41.0 35.0 PSI 33 33 A 61 LEU C A 62 ASP N A 62 ASP CA A 62 ASP C 1.0 -101.0 -61.0 PHI 34 34 A 63 MET N A 63 MET CA A 63 MET C A 64 TYR N 1.0 -45.0 73.0 PSI 35 35 A 62 ASP C A 63 MET N A 63 MET CA A 63 MET C 1.0 -105.0 -62.0 PHI 36 36 A 64 TYR N A 64 TYR CA A 64 TYR C A 65 LYS N 1.0 -52.0 20.0 PSI 37 37 A 63 MET C A 64 TYR N A 64 TYR CA A 64 TYR C 1.0 -94.0 -56.0 PHI 38 38 A 65 LYS N A 65 LYS CA A 65 LYS C A 66 LEU N 1.0 -40.0 6.0 PSI 39 39 A 64 TYR C A 65 LYS N A 65 LYS CA A 65 LYS C 1.0 -100.0 -55.0 PHI 40 40 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 ASP N 1.0 -36.0 0.0 PSI 41 41 A 65 LYS C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -91.0 -55.0 PHI 42 42 A 67 ASP N A 67 ASP CA A 67 ASP C A 68 ASN N 1.0 -20.0 20.0 PSI 43 43 A 66 LEU C A 67 ASP N A 67 ASP CA A 67 ASP C 1.0 -98.0 -70.0 PHI 44 44 A 68 ASN N A 68 ASN CA A 68 ASN C A 69 PHE N 1.0 -14.0 24.0 PSI 45 45 A 67 ASP C A 68 ASN N A 68 ASN CA A 68 ASN C 1.0 -128.0 -80.0 PHI 46 46 A 69 PHE N A 69 PHE CA A 69 PHE C A 70 ALA N 1.0 35.0 58.0 PSI 47 47 A 68 ASN C A 69 PHE N A 69 PHE CA A 69 PHE C 1.0 44.0 62.0 PHI 48 48 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 TYR N 1.0 141.0 161.0 PSI 49 49 A 69 PHE C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -181.0 -91.0 PHI 50 50 A 71 TYR N A 71 TYR CA A 71 TYR C A 72 PRO N 1.0 106.0 164.0 PSI 51 51 A 70 ALA C A 71 TYR N A 71 TYR CA A 71 TYR C 1.0 -137.0 -75.0 PHI 52 52 A 72 PRO N A 72 PRO CA A 72 PRO C A 73 SER N 1.0 82.0 170.0 PSI 53 53 A 73 SER N A 73 SER CA A 73 SER C A 74 THR N 1.0 89.0 155.0 PSI 54 54 A 72 PRO C A 73 SER N A 73 SER CA A 73 SER C 1.0 -123.0 -77.0 PHI 55 55 A 74 THR N A 74 THR CA A 74 THR C A 75 GLN N 1.0 -52.0 -4.0 PSI 56 56 A 73 SER C A 74 THR N A 74 THR CA A 74 THR C 1.0 -81.0 -53.0 PHI 57 57 A 75 GLN N A 75 GLN CA A 75 GLN C A 76 GLN N 1.0 -64.0 64.0 PSI 58 58 A 74 THR C A 75 GLN N A 75 GLN CA A 75 GLN C 1.0 -102.0 -58.0 PHI 59 59 A 77 GLY N A 77 GLY CA A 77 GLY C A 78 LEU N 1.0 -20.0 40.0 PSI 60 60 A 76 GLN C A 77 GLY N A 77 GLY CA A 77 GLY C 1.0 -134.0 -67.0 PHI 61 61 A 80 ALA N A 80 ALA CA A 80 ALA C A 81 LEU N 1.0 -20.0 38.0 PSI 62 62 A 79 GLU C A 80 ALA N A 80 ALA CA A 80 ALA C 1.0 -112.0 -78.0 PHI 63 63 A 83 LYS N A 83 LYS CA A 83 LYS C A 84 LYS N 1.0 125.0 150.0 PSI 64 64 A 82 VAL C A 83 LYS N A 83 LYS CA A 83 LYS C 1.0 -130.0 -96.0 PHI 65 65 A 84 LYS N A 84 LYS CA A 84 LYS C A 85 PRO N 1.0 103.0 141.0 PSI 66 66 A 83 LYS C A 84 LYS N A 84 LYS CA A 84 LYS C 1.0 -140.0 -55.0 PHI 67 67 A 85 PRO N A 85 PRO CA A 85 PRO C A 86 THR N 1.0 121.0 153.0 PSI 68 68 A 88 ASN N A 88 ASN CA A 88 ASN C A 89 PRO N 1.0 74.0 172.0 PSI 69 69 A 87 GLY C A 88 ASN N A 88 ASN CA A 88 ASN C 1.0 -149.0 -103.0 PHI 70 70 A 89 PRO N A 89 PRO CA A 89 PRO C A 90 GLN N 1.0 96.0 162.0 PSI 71 71 A 90 GLN N A 90 GLN CA A 90 GLN C A 91 PRO N 1.0 99.0 159.0 PSI 72 72 A 89 PRO C A 90 GLN N A 90 GLN CA A 90 GLN C 1.0 -132.0 -64.0 PHI 73 73 A 91 PRO N A 91 PRO CA A 91 PRO C A 92 LYS N 1.0 100.0 175.0 PSI 74 74 A 92 LYS N A 92 LYS CA A 92 LYS C A 93 ASN N 1.0 86.0 146.0 PSI 75 75 A 91 PRO C A 92 LYS N A 92 LYS CA A 92 LYS C 1.0 -150.0 -65.0 PHI 76 76 A 94 TRP N A 94 TRP CA A 94 TRP C A 95 ASN N 1.0 100.0 143.0 PSI 77 77 A 93 ASN C A 94 TRP N A 94 TRP CA A 94 TRP C 1.0 -109.0 -55.0 PHI 78 78 A 95 ASN N A 95 ASN CA A 95 ASN C A 96 LYS N 1.0 100.0 144.0 PSI 79 79 A 94 TRP C A 95 ASN N A 95 ASN CA A 95 ASN C 1.0 -135.0 -67.0 PHI 80 80 A 100 LEU N A 100 LEU CA A 100 LEU C A 101 LYS N 1.0 151.0 171.0 PSI 81 81 A 99 TYR C A 100 LEU N A 100 LEU CA A 100 LEU C 1.0 -138.0 -118.0 PHI 82 82 A 103 LEU N A 103 LEU CA A 103 LEU C A 104 PRO N 1.0 99.0 147.0 PSI 83 83 A 102 LYS C A 103 LEU N A 103 LEU CA A 103 LEU C 1.0 -130.0 -74.0 PHI 84 84 A 104 PRO N A 104 PRO CA A 104 PRO C A 105 VAL N 1.0 100.0 191.0 PSI 85 85 A 105 VAL N A 105 VAL CA A 105 VAL C A 106 ASP N 1.0 125.0 175.0 PSI 86 86 A 104 PRO C A 105 VAL N A 105 VAL CA A 105 VAL C 1.0 -205.0 -80.0 PHI 87 87 A 106 ASP N A 106 ASP CA A 106 ASP C A 107 PRO N 1.0 83.0 164.0 PSI 88 88 A 105 VAL C A 106 ASP N A 106 ASP CA A 106 ASP C 1.0 -125.0 -70.0 PHI 89 89 A 107 PRO N A 107 PRO CA A 107 PRO C A 108 TRP N 1.0 133.0 171.0 PSI 90 90 A 108 TRP N A 108 TRP CA A 108 TRP C A 109 GLY N 1.0 17.0 79.0 PSI 91 91 A 107 PRO C A 108 TRP N A 108 TRP CA A 108 TRP C 1.0 30.0 70.0 PHI 92 92 A 110 ASN N A 110 ASN CA A 110 ASN C A 111 PRO N 1.0 120.0 154.0 PSI 93 93 A 109 GLY C A 110 ASN N A 110 ASN CA A 110 ASN C 1.0 -92.0 -70.0 PHI 94 94 A 111 PRO N A 111 PRO CA A 111 PRO C A 112 TYR N 1.0 112.0 154.0 PSI 95 95 A 112 TYR N A 112 TYR CA A 112 TYR C A 113 GLN N 1.0 86.0 142.0 PSI 96 96 A 111 PRO C A 112 TYR N A 112 TYR CA A 112 TYR C 1.0 -84.0 -70.0 PHI 97 97 A 113 GLN N A 113 GLN CA A 113 GLN C A 114 TYR N 1.0 115.0 171.0 PSI 98 98 A 112 TYR C A 113 GLN N A 113 GLN CA A 113 GLN C 1.0 -132.0 -106.0 PHI 99 99 A 114 TYR N A 114 TYR CA A 114 TYR C A 115 LEU N 1.0 121.0 133.0 PSI 100 100 A 113 GLN C A 114 TYR N A 114 TYR CA A 114 TYR C 1.0 -120.0 -98.0 PHI 101 101 A 115 LEU N A 115 LEU CA A 115 LEU C A 116 ALA N 1.0 105.0 153.0 PSI 102 102 A 114 TYR C A 115 LEU N A 115 LEU CA A 115 LEU C 1.0 -127.0 -99.0 PHI 103 103 A 116 ALA N A 116 ALA CA A 116 ALA C A 117 PRO N 1.0 75.0 180.0 PSI 104 104 A 115 LEU C A 116 ALA N A 116 ALA CA A 116 ALA C 1.0 -134.0 -78.0 PHI 105 105 A 117 PRO N A 117 PRO CA A 117 PRO C A 118 GLY N 1.0 110.0 140.0 PSI 106 106 A 119 THR N A 119 THR CA A 119 THR C A 120 LYS N 1.0 97.0 151.0 PSI 107 107 A 118 GLY C A 119 THR N A 119 THR CA A 119 THR C 1.0 -112.0 -60.0 PHI 108 108 A 121 GLY N A 121 GLY CA A 121 GLY C A 122 PRO N 1.0 74.0 176.0 PSI 109 109 A 120 LYS C A 121 GLY N A 121 GLY CA A 121 GLY C 1.0 -161.0 -103.0 PHI 110 110 A 123 PHE N A 123 PHE CA A 123 PHE C A 124 ASP N 1.0 144.0 170.0 PSI 111 111 A 122 PRO C A 123 PHE N A 123 PHE CA A 123 PHE C 1.0 -187.0 -128.0 PHI 112 112 A 124 ASP N A 124 ASP CA A 124 ASP C A 125 LEU N 1.0 107.0 145.0 PSI 113 113 A 123 PHE C A 124 ASP N A 124 ASP CA A 124 ASP C 1.0 -139.0 -113.0 PHI 114 114 A 125 LEU N A 125 LEU CA A 125 LEU C A 126 TYR N 1.0 125.0 161.0 PSI 115 115 A 124 ASP C A 125 LEU N A 125 LEU CA A 125 LEU C 1.0 -145.0 -111.0 PHI 116 116 A 126 TYR N A 126 TYR CA A 126 TYR C A 127 SER N 1.0 148.0 168.0 PSI 117 117 A 125 LEU C A 126 TYR N A 126 TYR CA A 126 TYR C 1.0 -166.0 -122.0 PHI 118 118 A 127 SER N A 127 SER CA A 127 SER C A 128 LEU N 1.0 128.0 160.0 PSI 119 119 A 126 TYR C A 127 SER N A 127 SER CA A 127 SER C 1.0 -124.0 -84.0 PHI 120 120 A 128 LEU N A 128 LEU CA A 128 LEU C A 129 GLY N 1.0 89.0 185.0 PSI 121 121 A 127 SER C A 128 LEU N A 128 LEU CA A 128 LEU C 1.0 -120.0 -60.0 PHI 122 122 A 131 ASP N A 131 ASP CA A 131 ASP C A 132 GLY N 1.0 -9.0 21.0 PSI 123 123 A 130 ALA C A 131 ASP N A 131 ASP CA A 131 ASP C 1.0 -115.0 -95.0 PHI 124 124 A 133 LYS N A 133 LYS CA A 133 LYS C A 134 GLU N 1.0 117.0 147.0 PSI 125 125 A 132 GLY C A 133 LYS N A 133 LYS CA A 133 LYS C 1.0 -140.0 -98.0 PHI 126 126 A 134 GLU N A 134 GLU CA A 134 GLU C A 135 GLY N 1.0 107.0 131.0 PSI 127 127 A 133 LYS C A 134 GLU N A 134 GLU CA A 134 GLU C 1.0 -102.0 -70.0 PHI 128 128 A 135 GLY N A 135 GLY CA A 135 GLY C A 136 GLY N 1.0 110.0 185.0 PSI 129 129 A 134 GLU C A 135 GLY N A 135 GLY CA A 135 GLY C 1.0 -149.0 -107.0 PHI 130 130 A 136 GLY N A 136 GLY CA A 136 GLY C A 137 SER N 1.0 130.0 172.0 PSI 131 131 A 135 GLY C A 136 GLY N A 136 GLY CA A 136 GLY C 1.0 -143.0 -103.0 PHI 132 132 A 137 SER N A 137 SER CA A 137 SER C A 138 ASP N 1.0 140.0 180.0 PSI 133 133 A 136 GLY C A 137 SER N A 137 SER CA A 137 SER C 1.0 -180.0 -120.0 PHI 134 134 A 141 ALA N A 141 ALA CA A 141 ALA C A 142 ASP N 1.0 86.0 155.0 PSI 135 135 A 140 ASP C A 141 ALA N A 141 ALA CA A 141 ALA C 1.0 -127.0 -79.0 PHI 136 136 A 142 ASP N A 142 ASP CA A 142 ASP C A 143 ILE N 1.0 87.0 135.0 PSI 137 137 A 141 ALA C A 142 ASP N A 142 ASP CA A 142 ASP C 1.0 -120.0 -80.0 PHI 138 138 A 143 ILE N A 143 ILE CA A 143 ILE C A 144 GLY N 1.0 114.0 158.0 PSI 139 139 A 142 ASP C A 143 ILE N A 143 ILE CA A 143 ILE C 1.0 -139.0 -97.0 PHI 140 140 A 144 GLY N A 144 GLY CA A 144 GLY C A 145 ASN N 1.0 128.0 180.0 PSI 141 141 A 143 ILE C A 144 GLY N A 144 GLY CA A 144 GLY C 1.0 -174.0 -85.0 PHI 142 142 A 146 TRP N A 146 TRP CA A 146 TRP C A 147 ASP N 1.0 125.0 177.0 PSI 143 143 A 145 ASN C A 146 TRP N A 146 TRP CA A 146 TRP C 1.0 -188.0 -145.0 PHI 144 144 A 147 ASP N A 147 ASP CA A 147 ASP C A 148 ASN N 1.0 64.0 138.0 PSI 145 145 A 146 TRP C A 147 ASP N A 147 ASP CA A 147 ASP C 1.0 -134.0 -84.0 PHI stop_ save_