data_nef_c16864_5zb6 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MA0 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ARG middle . . 3 A 3 GLY middle . false 4 A 4 SER middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 HIS middle . . 10 A 10 HIS middle . . 11 A 11 GLY middle . false 12 A 12 SER middle . . 13 A 13 HIS middle . . 14 A 14 VAL middle . . 15 A 15 ILE middle . . 16 A 16 SER middle . . 17 A 17 SER middle . . 18 A 18 ILE middle . . 19 A 19 ALA middle . . 20 A 20 SER middle . . 21 A 21 ARG middle . . 22 A 22 GLY middle . false 23 A 23 SER middle . . 24 A 24 MET middle . . 25 A 25 ALA middle . . 26 A 26 GLU middle . . 27 A 27 HIS middle . . 28 A 28 GLN middle . . 29 A 29 LEU middle . . 30 A 30 GLY middle . false 31 A 31 PRO middle . false 32 A 32 ILE middle . . 33 A 33 ALA middle . . 34 A 34 GLY middle . false 35 A 35 ALA middle . . 36 A 36 ILE middle . . 37 A 37 LYS middle . . 38 A 38 SER middle . . 39 A 39 LYS middle . . 40 A 40 VAL middle . . 41 A 41 GLU middle . . 42 A 42 ALA middle . . 43 A 43 ALA middle . . 44 A 44 LEU middle . . 45 A 45 SER middle . . 46 A 46 PRO middle . false 47 A 47 THR middle . . 48 A 48 HIS middle . . 49 A 49 PHE middle . . 50 A 50 LYS middle . . 51 A 51 LEU middle . . 52 A 52 ILE middle . . 53 A 53 ASN middle . . 54 A 54 ASP middle . . 55 A 55 SER middle . . 56 A 56 HIS middle . . 57 A 57 LYS middle . . 58 A 58 HIS middle . . 59 A 59 ALA middle . . 60 A 60 GLY middle . false 61 A 61 HIS middle . . 62 A 62 TYR middle . . 63 A 63 ALA middle . . 64 A 64 ARG middle . . 65 A 65 ASP middle . . 66 A 66 GLY middle . false 67 A 67 SER middle . . 68 A 68 THR middle . . 69 A 69 ALA middle . . 70 A 70 SER middle . . 71 A 71 ASP middle . . 72 A 72 ALA middle . . 73 A 73 GLY middle . false 74 A 74 GLU middle . . 75 A 75 THR middle . . 76 A 76 HIS middle . . 77 A 77 PHE middle . . 78 A 78 ARG middle . . 79 A 79 LEU middle . . 80 A 80 GLU middle . . 81 A 81 VAL middle . . 82 A 82 THR middle . . 83 A 83 SER middle . . 84 A 84 ASP middle . . 85 A 85 ALA middle . . 86 A 86 PHE middle . . 87 A 87 LYS middle . . 88 A 88 GLY middle . false 89 A 89 LEU middle . . 90 A 90 THR middle . . 91 A 91 LEU middle . . 92 A 92 VAL middle . . 93 A 93 LYS middle . . 94 A 94 ARG middle . . 95 A 95 HIS middle . . 96 A 96 GLN middle . . 97 A 97 LEU middle . . 98 A 98 ILE middle . . 99 A 99 TYR middle . . 100 A 100 GLY middle . false 101 A 101 LEU middle . . 102 A 102 LEU middle . . 103 A 103 SER middle . . 104 A 104 ASP middle . . 105 A 105 GLU middle . . 106 A 106 PHE middle . . 107 A 107 LYS middle . . 108 A 108 ALA middle . . 109 A 109 GLY middle . false 110 A 110 LEU middle . . 111 A 111 HIS middle . . 112 A 112 ALA middle . . 113 A 113 LEU middle . . 114 A 114 SER middle . . 115 A 115 MET middle . . 116 A 116 THR middle . . 117 A 117 THR middle . . 118 A 118 LYS middle . . 119 A 119 THR middle . . 120 A 120 PRO middle . false 121 A 121 ALA middle . . 122 A 122 GLU middle . . 123 A 123 GLN 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 11 GLY H H 1 8.294 0.02 A 11 GLY HAx H 1 3.860 0.02 A 11 GLY C C 13 172.428 0.30 A 11 GLY CA C 13 44.440 0.30 A 11 GLY N N 15 109.506 0.30 A 12 SER H H 1 8.192 0.02 A 12 SER HA H 1 4.267 0.02 A 12 SER HBy H 1 3.753 0.02 A 12 SER HBx H 1 3.712 0.02 A 12 SER C C 13 172.364 0.30 A 12 SER CA C 13 57.635 0.30 A 12 SER CB C 13 62.972 0.30 A 12 SER N N 15 115.631 0.30 A 13 HIS H H 1 8.217 0.02 A 13 HIS HA H 1 4.248 0.02 A 13 HIS HBy H 1 3.194 0.02 A 13 HIS HBx H 1 3.159 0.02 A 13 HIS C C 13 175.151 0.30 A 13 HIS CA C 13 55.771 0.30 A 13 HIS CB C 13 29.936 0.30 A 13 HIS N N 15 122.814 0.30 A 14 VAL H H 1 7.397 0.02 A 14 VAL HA H 1 4.217 0.02 A 14 VAL HB H 1 2.282 0.02 A 14 VAL C C 13 177.861 0.30 A 14 VAL CA C 13 61.924 0.30 A 14 VAL CB C 13 29.530 0.30 A 14 VAL N N 15 115.356 0.30 A 15 ILE H H 1 7.990 0.02 A 15 ILE HA H 1 4.063 0.02 A 15 ILE HB H 1 1.776 0.02 A 15 ILE HG1y H 1 1.057 0.02 A 15 ILE HG1x H 1 1.017 0.02 A 15 ILE HG2% H 1 0.762 0.02 A 15 ILE C C 13 174.084 0.30 A 15 ILE CA C 13 61.626 0.30 A 15 ILE CB C 13 31.928 0.30 A 15 ILE CG1 C 13 27.560 0.30 A 15 ILE N N 15 122.061 0.30 A 16 SER H H 1 8.204 0.02 A 16 SER HA H 1 4.062 0.02 A 16 SER C C 13 174.303 0.30 A 16 SER CA C 13 60.265 0.30 A 16 SER CB C 13 62.609 0.30 A 16 SER N N 15 125.503 0.30 A 17 SER H H 1 8.294 0.02 A 17 SER HA H 1 4.407 0.02 A 17 SER HBy H 1 3.728 0.02 A 17 SER HBx H 1 3.709 0.02 A 17 SER C C 13 172.745 0.30 A 17 SER CA C 13 57.431 0.30 A 17 SER CB C 13 63.156 0.30 A 17 SER N N 15 120.307 0.30 A 18 ILE H H 1 8.001 0.02 A 18 ILE HA H 1 3.952 0.02 A 18 ILE HB H 1 1.820 0.02 A 18 ILE C C 13 174.446 0.30 A 18 ILE CA C 13 60.815 0.30 A 18 ILE CB C 13 37.748 0.30 A 18 ILE N N 15 121.910 0.30 A 19 ALA H H 1 8.154 0.02 A 19 ALA HA H 1 4.214 0.02 A 19 ALA HB% H 1 1.270 0.02 A 19 ALA C C 13 176.030 0.30 A 19 ALA CA C 13 51.951 0.30 A 19 ALA CB C 13 18.363 0.30 A 19 ALA N N 15 127.204 0.30 A 23 SER H H 1 8.085 0.02 A 23 SER HA H 1 4.278 0.02 A 23 SER HBx H 1 3.759 0.02 A 23 SER C C 13 173.036 0.30 A 23 SER CA C 13 57.638 0.30 A 23 SER CB C 13 62.932 0.30 A 23 SER N N 15 114.829 0.30 A 24 MET H H 1 8.311 0.02 A 24 MET HA H 1 4.320 0.02 A 24 MET HBy H 1 1.938 0.02 A 24 MET HBx H 1 1.891 0.02 A 24 MET HGy H 1 2.481 0.02 A 24 MET HGx H 1 2.441 0.02 A 24 MET C C 13 174.376 0.30 A 24 MET CA C 13 54.802 0.30 A 24 MET CB C 13 31.920 0.30 A 24 MET CG C 13 30.680 0.30 A 24 MET N N 15 121.984 0.30 A 25 ALA H H 1 8.094 0.02 A 25 ALA HA H 1 4.163 0.02 A 25 ALA HB% H 1 1.266 0.02 A 25 ALA C C 13 176.031 0.30 A 25 ALA CA C 13 51.952 0.30 A 25 ALA CB C 13 18.383 0.30 A 25 ALA N N 15 124.508 0.30 A 26 GLU H H 1 8.192 0.02 A 26 GLU HA H 1 4.066 0.02 A 26 GLU HBx H 1 1.824 0.02 A 26 GLU HGx H 1 2.081 0.02 A 26 GLU C C 13 174.600 0.30 A 26 GLU CA C 13 56.108 0.30 A 26 GLU CB C 13 29.485 0.30 A 26 GLU CG C 13 35.420 0.30 A 26 GLU N N 15 119.437 0.30 A 27 HIS H H 1 8.217 0.02 A 27 HIS HA H 1 4.673 0.02 A 27 HIS HBy H 1 3.093 0.02 A 27 HIS HBx H 1 3.050 0.02 A 27 HIS C C 13 173.215 0.30 A 27 HIS CA C 13 55.132 0.30 A 27 HIS CB C 13 29.727 0.30 A 27 HIS N N 15 118.757 0.30 A 28 GLN H H 1 8.221 0.02 A 28 GLN HA H 1 4.213 0.02 A 28 GLN HBx H 1 1.927 0.02 A 28 GLN HGx H 1 2.235 0.02 A 28 GLN HE2y H 1 7.362 0.02 A 28 GLN HE2x H 1 6.600 0.02 A 28 GLN C C 13 173.695 0.30 A 28 GLN CA C 13 54.847 0.30 A 28 GLN CB C 13 28.568 0.30 A 28 GLN CG C 13 34.120 0.30 A 28 GLN N N 15 121.361 0.30 A 28 GLN NE2 N 15 112.393 0.30 A 29 LEU H H 1 8.295 0.02 A 29 LEU HA H 1 4.319 0.02 A 29 LEU HBx H 1 1.624 0.02 A 29 LEU HG H 1 1.422 0.02 A 29 LEU C C 13 175.721 0.30 A 29 LEU CA C 13 54.139 0.30 A 29 LEU CB C 13 41.920 0.30 A 29 LEU CG C 13 26.590 0.30 A 29 LEU N N 15 123.929 0.30 A 30 GLY H H 1 8.459 0.02 A 30 GLY HAx H 1 3.859 0.02 A 30 GLY C C 13 170.252 0.30 A 30 GLY CA C 13 43.977 0.30 A 30 GLY N N 15 110.447 0.30 A 31 PRO C C 13 179.073 0.30 A 31 PRO CA C 13 64.154 0.30 A 31 PRO CB C 13 31.191 0.30 A 32 ILE H H 1 10.226 0.02 A 32 ILE HA H 1 4.507 0.02 A 32 ILE HB H 1 1.447 0.02 A 32 ILE HG1x H 1 1.160 0.02 A 32 ILE C C 13 176.719 0.30 A 32 ILE CA C 13 63.444 0.30 A 32 ILE CB C 13 34.833 0.30 A 32 ILE CG1 C 13 27.460 0.30 A 32 ILE CG2 C 13 19.850 0.30 A 32 ILE N N 15 124.391 0.30 A 33 ALA H H 1 9.220 0.02 A 33 ALA HA H 1 4.493 0.02 A 33 ALA HB% H 1 1.447 0.02 A 33 ALA C C 13 178.057 0.30 A 33 ALA CA C 13 54.352 0.30 A 33 ALA CB C 13 18.850 0.30 A 33 ALA N N 15 124.558 0.30 A 34 GLY H H 1 8.547 0.02 A 34 GLY HAx H 1 4.067 0.02 A 34 GLY C C 13 174.460 0.30 A 34 GLY CA C 13 45.838 0.30 A 34 GLY N N 15 132.296 0.30 A 35 ALA H H 1 7.276 0.02 A 35 ALA HA H 1 4.062 0.02 A 35 ALA HB% H 1 1.372 0.02 A 35 ALA C C 13 177.280 0.30 A 35 ALA CA C 13 54.032 0.30 A 35 ALA CB C 13 18.142 0.30 A 35 ALA N N 15 126.264 0.30 A 36 ILE H H 1 8.293 0.02 A 36 ILE HA H 1 4.182 0.02 A 36 ILE HB H 1 1.830 0.02 A 36 ILE HG1x H 1 1.190 0.02 A 36 ILE C C 13 175.551 0.30 A 36 ILE CA C 13 65.081 0.30 A 36 ILE CB C 13 36.761 0.30 A 36 ILE CG1 C 13 27.680 0.30 A 36 ILE N N 15 117.177 0.30 A 37 LYS H H 1 7.782 0.02 A 37 LYS HA H 1 3.887 0.02 A 37 LYS HBx H 1 1.790 0.02 A 37 LYS HGx H 1 1.380 0.02 A 37 LYS HDx H 1 1.680 0.02 A 37 LYS HEx H 1 2.630 0.02 A 37 LYS C C 13 175.620 0.30 A 37 LYS CA C 13 59.168 0.30 A 37 LYS CB C 13 32.202 0.30 A 37 LYS CG C 13 24.560 0.30 A 37 LYS CD C 13 28.690 0.30 A 37 LYS CE C 13 42.130 0.30 A 37 LYS N N 15 116.625 0.30 A 38 SER H H 1 7.912 0.02 A 38 SER HA H 1 4.312 0.02 A 38 SER HBy H 1 3.961 0.02 A 38 SER HBx H 1 3.711 0.02 A 38 SER HG H 1 5.120 0.02 A 38 SER C C 13 175.560 0.30 A 38 SER CA C 13 60.707 0.30 A 38 SER CB C 13 62.134 0.30 A 38 SER N N 15 111.792 0.30 A 39 LYS H H 1 8.482 0.02 A 39 LYS HA H 1 4.444 0.02 A 39 LYS HBx H 1 1.873 0.02 A 39 LYS HGx H 1 1.360 0.02 A 39 LYS HDx H 1 1.580 0.02 A 39 LYS HEx H 1 2.118 0.02 A 39 LYS C C 13 178.379 0.30 A 39 LYS CA C 13 59.391 0.30 A 39 LYS CB C 13 32.195 0.30 A 39 LYS N N 15 120.813 0.30 A 40 VAL H H 1 8.355 0.02 A 40 VAL HA H 1 3.346 0.02 A 40 VAL HGx% H 1 0.890 0.02 A 40 VAL HGy% H 1 0.810 0.02 A 40 VAL C C 13 178.515 0.30 A 40 VAL CA C 13 66.164 0.30 A 40 VAL CB C 13 30.232 0.30 A 40 VAL CGy C 13 22.580 0.30 A 40 VAL CGx C 13 22.460 0.30 A 40 VAL N N 15 118.990 0.30 A 41 GLU H H 1 8.228 0.02 A 41 GLU HA H 1 4.395 0.02 A 41 GLU HBx H 1 1.980 0.02 A 41 GLU HGx H 1 3.740 0.02 A 41 GLU C C 13 177.456 0.30 A 41 GLU CA C 13 59.393 0.30 A 41 GLU CB C 13 28.058 0.30 A 41 GLU CG C 13 34.560 0.30 A 41 GLU N N 15 118.619 0.30 A 42 ALA H H 1 7.496 0.02 A 42 ALA HA H 1 3.962 0.02 A 42 ALA HB% H 1 1.367 0.02 A 42 ALA C C 13 177.523 0.30 A 42 ALA CA C 13 53.723 0.30 A 42 ALA CB C 13 17.882 0.30 A 42 ALA N N 15 118.753 0.30 A 43 ALA H H 1 7.392 0.02 A 43 ALA HA H 1 4.214 0.02 A 43 ALA HB% H 1 1.369 0.02 A 43 ALA C C 13 177.831 0.30 A 43 ALA CA C 13 53.167 0.30 A 43 ALA CB C 13 20.067 0.30 A 43 ALA N N 15 115.507 0.30 A 44 LEU H H 1 7.924 0.02 A 44 LEU HA H 1 4.315 0.02 A 44 LEU HBx H 1 1.569 0.02 A 44 LEU HG H 1 1.480 0.02 A 44 LEU HDx% H 1 0.568 0.02 A 44 LEU C C 13 175.011 0.30 A 44 LEU CA C 13 53.177 0.30 A 44 LEU CB C 13 41.378 0.30 A 44 LEU CG C 13 27.180 0.30 A 44 LEU CDy C 13 24.890 0.30 A 44 LEU CDx C 13 24.750 0.30 A 44 LEU N N 15 112.111 0.30 A 45 SER H H 1 7.608 0.02 A 45 SER HA H 1 4.116 0.02 A 45 SER HBx H 1 3.656 0.02 A 45 SER HG H 1 5.340 0.02 A 45 SER C C 13 174.944 0.30 A 45 SER CA C 13 57.108 0.30 A 45 SER CB C 13 61.710 0.30 A 45 SER N N 15 113.666 0.30 A 46 PRO C C 13 175.933 0.30 A 46 PRO CA C 13 62.192 0.30 A 46 PRO CB C 13 32.682 0.30 A 47 THR H H 1 8.292 0.02 A 47 THR HA H 1 4.266 0.02 A 47 THR HB H 1 4.203 0.02 A 47 THR HG1 H 1 5.197 0.02 A 47 THR HG2% H 1 1.021 0.02 A 47 THR C C 13 173.363 0.30 A 47 THR CA C 13 61.907 0.30 A 47 THR CB C 13 67.478 0.30 A 47 THR CG2 C 13 21.360 0.30 A 47 THR N N 15 111.474 0.30 A 48 HIS H H 1 7.213 0.02 A 48 HIS HA H 1 4.706 0.02 A 48 HIS HBx H 1 3.314 0.02 A 48 HIS C C 13 170.870 0.30 A 48 HIS CA C 13 56.005 0.30 A 48 HIS CB C 13 32.665 0.30 A 48 HIS N N 15 119.658 0.30 A 49 PHE H H 1 7.961 0.02 A 49 PHE HA H 1 4.675 0.02 A 49 PHE HBy H 1 3.215 0.02 A 49 PHE HBx H 1 2.741 0.02 A 49 PHE C C 13 170.977 0.30 A 49 PHE CA C 13 55.890 0.30 A 49 PHE CB C 13 41.849 0.30 A 49 PHE N N 15 127.497 0.30 A 50 LYS H H 1 8.076 0.02 A 50 LYS HA H 1 4.034 0.02 A 50 LYS HBx H 1 1.820 0.02 A 50 LYS HGx H 1 1.390 0.02 A 50 LYS HEx H 1 3.096 0.02 A 50 LYS C C 13 170.398 0.30 A 50 LYS CA C 13 55.008 0.30 A 50 LYS CB C 13 36.023 0.30 A 50 LYS CG C 13 24.890 0.30 A 50 LYS CD C 13 28.630 0.30 A 50 LYS N N 15 128.814 0.30 A 51 LEU H H 1 8.471 0.02 A 51 LEU HA H 1 4.411 0.02 A 51 LEU HBx H 1 1.750 0.02 A 51 LEU HG H 1 1.530 0.02 A 51 LEU HDx% H 1 0.780 0.02 A 51 LEU C C 13 173.441 0.30 A 51 LEU CA C 13 52.706 0.30 A 51 LEU CB C 13 44.771 0.30 A 51 LEU CG C 13 26.930 0.30 A 51 LEU CDx C 13 24.570 0.30 A 51 LEU N N 15 128.438 0.30 A 52 ILE H H 1 9.159 0.02 A 52 ILE HA H 1 4.264 0.02 A 52 ILE HB H 1 1.860 0.02 A 52 ILE HG1x H 1 1.210 0.02 A 52 ILE HD1% H 1 0.808 0.02 A 52 ILE C C 13 172.789 0.30 A 52 ILE CA C 13 59.823 0.30 A 52 ILE CB C 13 41.134 0.30 A 52 ILE CG1 C 13 27.120 0.30 A 52 ILE CG2 C 13 16.980 0.30 A 52 ILE CD1 C 13 13.560 0.30 A 52 ILE N N 15 127.202 0.30 A 53 ASN H H 1 9.158 0.02 A 53 ASN HA H 1 4.689 0.02 A 53 ASN HBx H 1 2.626 0.02 A 53 ASN HD2y H 1 7.789 0.02 A 53 ASN HD2x H 1 7.618 0.02 A 53 ASN C C 13 172.917 0.30 A 53 ASN CA C 13 52.304 0.30 A 53 ASN CB C 13 37.253 0.30 A 53 ASN N N 15 126.204 0.30 A 53 ASN ND2 N 15 111.641 0.30 A 54 ASP H H 1 8.510 0.02 A 54 ASP HA H 1 4.689 0.02 A 54 ASP HBx H 1 2.757 0.02 A 54 ASP C C 13 176.236 0.30 A 54 ASP CA C 13 54.607 0.30 A 54 ASP CB C 13 41.842 0.30 A 54 ASP N N 15 128.843 0.30 A 55 SER H H 1 8.689 0.02 A 55 SER HA H 1 4.395 0.02 A 55 SER HBx H 1 3.625 0.02 A 55 SER C C 13 173.624 0.30 A 55 SER CA C 13 62.893 0.30 A 55 SER CB C 13 61.947 0.30 A 55 SER N N 15 118.998 0.30 A 56 HIS H H 1 8.293 0.02 A 56 HIS HA H 1 4.689 0.02 A 56 HIS HBx H 1 3.740 0.02 A 56 HIS C C 13 174.616 0.30 A 56 HIS CA C 13 57.591 0.30 A 56 HIS CB C 13 28.329 0.30 A 56 HIS N N 15 118.359 0.30 A 57 LYS H H 1 7.134 0.02 A 57 LYS HA H 1 4.378 0.02 A 57 LYS HBx H 1 1.692 0.02 A 57 LYS HGx H 1 1.290 0.02 A 57 LYS HEx H 1 3.019 0.02 A 57 LYS C C 13 174.450 0.30 A 57 LYS CA C 13 56.107 0.30 A 57 LYS CB C 13 30.937 0.30 A 57 LYS CG C 13 24.680 0.30 A 57 LYS CE C 13 42.640 0.30 A 57 LYS N N 15 118.941 0.30 A 58 HIS H H 1 7.276 0.02 A 58 HIS HA H 1 4.247 0.02 A 58 HIS HBx H 1 3.199 0.02 A 58 HIS C C 13 172.596 0.30 A 58 HIS CA C 13 54.369 0.30 A 58 HIS CB C 13 30.236 0.30 A 58 HIS N N 15 116.997 0.30 A 59 ALA H H 1 7.545 0.02 A 59 ALA HA H 1 4.165 0.02 A 59 ALA HB% H 1 1.269 0.02 A 59 ALA C C 13 176.331 0.30 A 59 ALA CA C 13 52.288 0.30 A 59 ALA CB C 13 18.603 0.30 A 59 ALA N N 15 123.822 0.30 A 60 GLY H H 1 8.318 0.02 A 60 GLY HAx H 1 3.756 0.02 A 60 GLY C C 13 172.351 0.30 A 60 GLY CA C 13 44.612 0.30 A 60 GLY N N 15 107.787 0.30 A 61 HIS H H 1 7.977 0.02 A 61 HIS HA H 1 4.673 0.02 A 61 HIS HBx H 1 3.363 0.02 A 61 HIS C C 13 172.983 0.30 A 61 HIS CA C 13 55.451 0.30 A 61 HIS CB C 13 29.780 0.30 A 61 HIS N N 15 118.151 0.30 A 62 TYR H H 1 7.899 0.02 A 62 TYR HA H 1 4.421 0.02 A 62 TYR HBy H 1 2.872 0.02 A 62 TYR HBx H 1 2.757 0.02 A 62 TYR C C 13 173.291 0.30 A 62 TYR CA C 13 56.876 0.30 A 62 TYR CB C 13 38.220 0.30 A 62 TYR N N 15 120.639 0.30 A 63 ALA H H 1 8.091 0.02 A 63 ALA HA H 1 4.165 0.02 A 63 ALA HB% H 1 1.221 0.02 A 63 ALA C C 13 175.714 0.30 A 63 ALA CA C 13 51.314 0.30 A 63 ALA CB C 13 18.410 0.30 A 63 ALA N N 15 125.751 0.30 A 64 ARG H H 1 8.204 0.02 A 64 ARG HA H 1 4.165 0.02 A 64 ARG HBx H 1 1.677 0.02 A 64 ARG HGx H 1 1.546 0.02 A 64 ARG HDx H 1 3.049 0.02 A 64 ARG C C 13 174.605 0.30 A 64 ARG CA C 13 55.718 0.30 A 64 ARG CB C 13 30.750 0.30 A 64 ARG CG C 13 27.120 0.30 A 64 ARG CD C 13 43.180 0.30 A 64 ARG N N 15 120.527 0.30 A 65 ASP H H 1 8.065 0.02 A 65 ASP HA H 1 4.470 0.02 A 65 ASP HBy H 1 2.741 0.02 A 65 ASP HBx H 1 2.541 0.02 A 65 ASP C C 13 176.735 0.30 A 65 ASP CA C 13 53.257 0.30 A 65 ASP CB C 13 40.366 0.30 A 65 ASP N N 15 119.999 0.30 A 66 GLY H H 1 8.243 0.02 A 66 GLY HAy H 1 3.966 0.02 A 66 GLY HAx H 1 3.754 0.02 A 66 GLY C C 13 172.591 0.30 A 66 GLY CA C 13 44.687 0.30 A 66 GLY N N 15 109.210 0.30 A 67 SER H H 1 8.129 0.02 A 67 SER HA H 1 4.366 0.02 A 67 SER HBy H 1 3.808 0.02 A 67 SER HBx H 1 3.687 0.02 A 67 SER HG H 1 5.074 0.02 A 67 SER C C 13 172.900 0.30 A 67 SER CA C 13 57.742 0.30 A 67 SER CB C 13 63.394 0.30 A 67 SER N N 15 115.775 0.30 A 68 THR H H 1 8.281 0.02 A 68 THR HA H 1 4.672 0.02 A 68 THR HB H 1 4.207 0.02 A 68 THR HG1 H 1 5.066 0.02 A 68 THR HG2% H 1 1.111 0.02 A 68 THR C C 13 173.053 0.30 A 68 THR CA C 13 61.908 0.30 A 68 THR CB C 13 68.972 0.30 A 68 THR CG2 C 13 22.120 0.30 A 68 THR N N 15 115.837 0.30 A 69 ALA H H 1 8.248 0.02 A 69 ALA HA H 1 4.155 0.02 A 69 ALA HB% H 1 1.264 0.02 A 69 ALA C C 13 176.339 0.30 A 69 ALA CA C 13 52.496 0.30 A 69 ALA CB C 13 18.368 0.30 A 69 ALA N N 15 125.446 0.30 A 70 SER H H 1 8.123 0.02 A 70 SER HA H 1 4.218 0.02 A 70 SER HBx H 1 3.766 0.02 A 70 SER C C 13 173.306 0.30 A 70 SER CA C 13 58.408 0.30 A 70 SER CB C 13 62.914 0.30 A 70 SER N N 15 114.516 0.30 A 71 ASP H H 1 8.190 0.02 A 71 ASP HA H 1 4.469 0.02 A 71 ASP HBy H 1 2.595 0.02 A 71 ASP HBx H 1 2.540 0.02 A 71 ASP C C 13 174.375 0.30 A 71 ASP CA C 13 54.033 0.30 A 71 ASP CB C 13 40.374 0.30 A 71 ASP N N 15 121.987 0.30 A 72 ALA H H 1 7.992 0.02 A 72 ALA HA H 1 4.262 0.02 A 72 ALA HB% H 1 1.272 0.02 A 72 ALA C C 13 175.870 0.30 A 72 ALA CA C 13 51.425 0.30 A 72 ALA CB C 13 18.508 0.30 A 72 ALA N N 15 122.987 0.30 A 73 GLY H H 1 8.139 0.02 A 73 GLY HAx H 1 3.859 0.02 A 73 GLY C C 13 171.959 0.30 A 73 GLY CA C 13 44.833 0.30 A 73 GLY N N 15 107.114 0.30 A 74 GLU H H 1 8.401 0.02 A 74 GLU HA H 1 4.217 0.02 A 74 GLU HBx H 1 2.206 0.02 A 74 GLU HGx H 1 2.693 0.02 A 74 GLU C C 13 171.319 0.30 A 74 GLU CA C 13 54.582 0.30 A 74 GLU CB C 13 31.458 0.30 A 74 GLU CG C 13 36.340 0.30 A 74 GLU N N 15 122.109 0.30 A 75 THR H H 1 8.093 0.02 A 75 THR HA H 1 4.466 0.02 A 75 THR HB H 1 4.114 0.02 A 75 THR HG1 H 1 5.508 0.02 A 75 THR HG2% H 1 1.201 0.02 A 75 THR C C 13 173.964 0.30 A 75 THR CA C 13 62.251 0.30 A 75 THR CB C 13 68.487 0.30 A 75 THR CG2 C 13 21.690 0.30 A 75 THR N N 15 107.666 0.30 A 76 HIS H H 1 7.709 0.02 A 76 HIS HA H 1 4.689 0.02 A 76 HIS HBx H 1 3.260 0.02 A 76 HIS C C 13 171.887 0.30 A 76 HIS CA C 13 55.662 0.30 A 76 HIS CB C 13 32.899 0.30 A 76 HIS N N 15 122.631 0.30 A 77 PHE H H 1 7.809 0.02 A 77 PHE HA H 1 4.689 0.02 A 77 PHE HBx H 1 3.232 0.02 A 77 PHE C C 13 174.622 0.30 A 77 PHE CA C 13 55.015 0.30 A 77 PHE CB C 13 43.541 0.30 A 77 PHE N N 15 116.183 0.30 A 78 ARG H H 1 9.248 0.02 A 78 ARG HA H 1 4.444 0.02 A 78 ARG HBx H 1 1.610 0.02 A 78 ARG HGx H 1 1.490 0.02 A 78 ARG HDx H 1 3.821 0.02 A 78 ARG C C 13 172.654 0.30 A 78 ARG CA C 13 54.473 0.30 A 78 ARG CB C 13 32.650 0.30 A 78 ARG CG C 13 27.200 0.30 A 78 ARG CD C 13 42.800 0.30 A 78 ARG N N 15 121.928 0.30 A 79 LEU H H 1 8.486 0.02 A 79 LEU HA H 1 4.460 0.02 A 79 LEU HBx H 1 1.630 0.02 A 79 LEU HG H 1 1.430 0.02 A 79 LEU HDx% H 1 0.906 0.02 A 79 LEU C C 13 172.660 0.30 A 79 LEU CA C 13 52.271 0.30 A 79 LEU CB C 13 45.963 0.30 A 79 LEU CG C 13 25.980 0.30 A 79 LEU CDx C 13 24.160 0.30 A 79 LEU N N 15 124.150 0.30 A 80 GLU H H 1 9.107 0.02 A 80 GLU HA H 1 4.444 0.02 A 80 GLU HBx H 1 2.085 0.02 A 80 GLU HGx H 1 2.511 0.02 A 80 GLU C C 13 172.682 0.30 A 80 GLU CA C 13 53.273 0.30 A 80 GLU CB C 13 30.260 0.30 A 80 GLU CG C 13 35.180 0.30 A 80 GLU N N 15 126.798 0.30 A 81 VAL H H 1 8.459 0.02 A 81 VAL HA H 1 4.214 0.02 A 81 VAL HB H 1 1.954 0.02 A 81 VAL HGx% H 1 0.987 0.02 A 81 VAL HGy% H 1 0.937 0.02 A 81 VAL C C 13 172.198 0.30 A 81 VAL CA C 13 59.718 0.30 A 81 VAL CB C 13 34.835 0.30 A 81 VAL CGy C 13 21.560 0.30 A 81 VAL CGx C 13 21.420 0.30 A 81 VAL N N 15 119.285 0.30 A 82 THR H H 1 8.688 0.02 A 82 THR HA H 1 4.264 0.02 A 82 THR HB H 1 4.018 0.02 A 82 THR HG2% H 1 0.784 0.02 A 82 THR C C 13 172.426 0.30 A 82 THR CA C 13 59.075 0.30 A 82 THR CB C 13 68.499 0.30 A 82 THR CG2 C 13 21.970 0.30 A 82 THR N N 15 127.145 0.30 A 83 SER H H 1 8.831 0.02 A 83 SER HA H 1 4.460 0.02 A 83 SER HBx H 1 4.165 0.02 A 83 SER C C 13 173.220 0.30 A 83 SER CA C 13 55.914 0.30 A 83 SER CB C 13 63.362 0.30 A 83 SER N N 15 117.286 0.30 A 84 ASP H H 1 9.081 0.02 A 84 ASP HA H 1 4.518 0.02 A 84 ASP HBy H 1 2.935 0.02 A 84 ASP HBx H 1 1.980 0.02 A 84 ASP C C 13 175.944 0.30 A 84 ASP CA C 13 56.116 0.30 A 84 ASP CB C 13 40.395 0.30 A 84 ASP N N 15 130.709 0.30 A 85 ALA H H 1 8.548 0.02 A 85 ALA HA H 1 4.011 0.02 A 85 ALA HB% H 1 1.018 0.02 A 85 ALA C C 13 176.256 0.30 A 85 ALA CA C 13 52.938 0.30 A 85 ALA CB C 13 18.642 0.30 A 85 ALA N N 15 122.620 0.30 A 86 PHE H H 1 6.577 0.02 A 86 PHE HA H 1 4.374 0.02 A 86 PHE HBx H 1 2.806 0.02 A 86 PHE C C 13 173.141 0.30 A 86 PHE CA C 13 54.039 0.30 A 86 PHE CB C 13 37.193 0.30 A 86 PHE N N 15 111.320 0.30 A 87 LYS H H 1 7.388 0.02 A 87 LYS HA H 1 3.812 0.02 A 87 LYS HBx H 1 1.820 0.02 A 87 LYS HGx H 1 1.460 0.02 A 87 LYS C C 13 175.636 0.30 A 87 LYS CA C 13 58.192 0.30 A 87 LYS CB C 13 32.424 0.30 A 87 LYS CG C 13 24.980 0.30 A 87 LYS N N 15 120.506 0.30 A 88 GLY H H 1 8.954 0.02 A 88 GLY HAx H 1 4.055 0.02 A 88 GLY C C 13 172.110 0.30 A 88 GLY CA C 13 44.435 0.30 A 88 GLY N N 15 113.550 0.30 A 89 LEU H H 1 7.849 0.02 A 89 LEU HA H 1 4.463 0.02 A 89 LEU HBx H 1 1.873 0.02 A 89 LEU HG H 1 1.630 0.02 A 89 LEU HDx% H 1 0.820 0.02 A 89 LEU C C 13 176.881 0.30 A 89 LEU CA C 13 52.963 0.30 A 89 LEU CB C 13 42.615 0.30 A 89 LEU CG C 13 26.930 0.30 A 89 LEU CDx C 13 25.870 0.30 A 89 LEU N N 15 120.060 0.30 A 90 THR H H 1 7.732 0.02 A 90 THR HA H 1 4.150 0.02 A 90 THR HB H 1 4.105 0.02 A 90 THR C C 13 173.061 0.30 A 90 THR CA C 13 60.170 0.30 A 90 THR CB C 13 69.454 0.30 A 90 THR CG2 C 13 21.230 0.30 A 90 THR N N 15 115.005 0.30 A 91 LEU H H 1 8.541 0.02 A 91 LEU HA H 1 4.670 0.02 A 91 LEU HBx H 1 1.008 0.02 A 91 LEU HG H 1 1.610 0.02 A 91 LEU HDx% H 1 0.860 0.02 A 91 LEU C C 13 176.236 0.30 A 91 LEU CA C 13 58.962 0.30 A 91 LEU CB C 13 40.470 0.30 A 91 LEU CG C 13 26.120 0.30 A 91 LEU CDx C 13 24.890 0.30 A 91 LEU N N 15 122.791 0.30 A 92 VAL H H 1 7.849 0.02 A 92 VAL HA H 1 4.214 0.02 A 92 VAL HB H 1 1.940 0.02 A 92 VAL HGx% H 1 0.860 0.02 A 92 VAL HGy% H 1 0.810 0.02 A 92 VAL C C 13 176.536 0.30 A 92 VAL CA C 13 64.974 0.30 A 92 VAL CB C 13 30.716 0.30 A 92 VAL CGy C 13 21.970 0.30 A 92 VAL CGx C 13 21.690 0.30 A 92 VAL N N 15 114.284 0.30 A 93 LYS H H 1 6.997 0.02 A 93 LYS HA H 1 4.010 0.02 A 93 LYS HGx H 1 1.670 0.02 A 93 LYS HDx H 1 1.380 0.02 A 93 LYS HEx H 1 3.347 0.02 A 93 LYS C C 13 178.142 0.30 A 93 LYS CA C 13 58.184 0.30 A 93 LYS CB C 13 31.906 0.30 A 93 LYS CG C 13 24.560 0.30 A 93 LYS CD C 13 29.130 0.30 A 93 LYS CE C 13 42.670 0.30 A 93 LYS N N 15 119.820 0.30 A 94 ARG H H 1 8.383 0.02 A 94 ARG HA H 1 4.411 0.02 A 94 ARG HBx H 1 1.740 0.02 A 94 ARG HGx H 1 1.590 0.02 A 94 ARG HDx H 1 3.756 0.02 A 94 ARG C C 13 175.553 0.30 A 94 ARG CA C 13 59.209 0.30 A 94 ARG CB C 13 29.023 0.30 A 94 ARG CG C 13 26.540 0.30 A 94 ARG CD C 13 43.260 0.30 A 94 ARG N N 15 121.408 0.30 A 95 HIS H H 1 8.026 0.02 A 95 HIS HA H 1 4.164 0.02 A 95 HIS HBx H 1 3.199 0.02 A 95 HIS C C 13 175.873 0.30 A 95 HIS CA C 13 57.509 0.30 A 95 HIS CB C 13 29.721 0.30 A 95 HIS N N 15 116.648 0.30 A 96 GLN H H 1 8.295 0.02 A 96 GLN HA H 1 3.975 0.02 A 96 GLN HBx H 1 2.060 0.02 A 96 GLN HGx H 1 2.282 0.02 A 96 GLN HE2y H 1 7.390 0.02 A 96 GLN HE2x H 1 6.707 0.02 A 96 GLN C C 13 176.886 0.30 A 96 GLN CA C 13 58.288 0.30 A 96 GLN CB C 13 27.771 0.30 A 96 GLN CG C 13 33.890 0.30 A 96 GLN N N 15 117.803 0.30 A 96 GLN NE2 N 15 111.474 0.30 A 97 LEU H H 1 7.759 0.02 A 97 LEU HA H 1 4.061 0.02 A 97 LEU HBx H 1 1.720 0.02 A 97 LEU HG H 1 1.560 0.02 A 97 LEU C C 13 177.747 0.30 A 97 LEU CA C 13 57.768 0.30 A 97 LEU CB C 13 41.616 0.30 A 97 LEU CG C 13 26.970 0.30 A 97 LEU CDx C 13 24.560 0.30 A 97 LEU N N 15 121.986 0.30 A 98 ILE H H 1 7.058 0.02 A 98 ILE HA H 1 4.682 0.02 A 98 ILE HB H 1 1.829 0.02 A 98 ILE HG1x H 1 1.230 0.02 A 98 ILE HG2% H 1 0.530 0.02 A 98 ILE C C 13 175.942 0.30 A 98 ILE CA C 13 63.094 0.30 A 98 ILE CB C 13 35.067 0.30 A 98 ILE CG1 C 13 28.360 0.30 A 98 ILE CG2 C 13 17.690 0.30 A 98 ILE CD1 C 13 13.260 0.30 A 98 ILE N N 15 117.838 0.30 A 99 TYR H H 1 8.560 0.02 A 99 TYR HA H 1 4.722 0.02 A 99 TYR HBx H 1 2.780 0.02 A 99 TYR C C 13 177.981 0.30 A 99 TYR CA C 13 60.928 0.30 A 99 TYR CB C 13 36.312 0.30 A 99 TYR N N 15 118.461 0.30 A 100 GLY H H 1 8.293 0.02 A 100 GLY HAx H 1 3.857 0.02 A 100 GLY C C 13 174.542 0.30 A 100 GLY CA C 13 45.884 0.30 A 100 GLY N N 15 104.642 0.30 A 101 LEU H H 1 7.633 0.02 A 101 LEU HA H 1 4.213 0.02 A 101 LEU HBx H 1 1.879 0.02 A 101 LEU HG H 1 1.421 0.02 A 101 LEU C C 13 177.036 0.30 A 101 LEU CA C 13 55.875 0.30 A 101 LEU CB C 13 42.580 0.30 A 101 LEU CG C 13 26.580 0.30 A 101 LEU CDx C 13 24.690 0.30 A 101 LEU N N 15 121.228 0.30 A 102 LEU H H 1 7.327 0.02 A 102 LEU HA H 1 5.026 0.02 A 102 LEU HBx H 1 1.760 0.02 A 102 LEU HG H 1 1.590 0.02 A 102 LEU C C 13 173.594 0.30 A 102 LEU CA C 13 52.882 0.30 A 102 LEU CB C 13 41.113 0.30 A 102 LEU CG C 13 26.870 0.30 A 102 LEU CDx C 13 24.360 0.30 A 102 LEU N N 15 115.951 0.30 A 103 SER H H 1 7.862 0.02 A 103 SER HA H 1 4.161 0.02 A 103 SER HBx H 1 3.696 0.02 A 103 SER C C 13 175.995 0.30 A 103 SER CA C 13 59.065 0.30 A 103 SER CB C 13 64.347 0.30 A 103 SER N N 15 126.115 0.30 A 104 ASP H H 1 8.881 0.02 A 104 ASP HA H 1 4.673 0.02 A 104 ASP HBx H 1 2.282 0.02 A 104 ASP C C 13 176.418 0.30 A 104 ASP CA C 13 56.555 0.30 A 104 ASP CB C 13 38.515 0.30 A 104 ASP N N 15 119.830 0.30 A 105 GLU H H 1 7.849 0.02 A 105 GLU HA H 1 3.809 0.02 A 105 GLU HBx H 1 1.860 0.02 A 105 GLU HGx H 1 2.190 0.02 A 105 GLU C C 13 176.987 0.30 A 105 GLU CA C 13 60.816 0.30 A 105 GLU CB C 13 27.108 0.30 A 105 GLU CG C 13 35.640 0.30 A 105 GLU N N 15 123.686 0.30 A 106 PHE H H 1 7.785 0.02 A 106 PHE HA H 1 4.722 0.02 A 106 PHE HBx H 1 3.396 0.02 A 106 PHE C C 13 177.445 0.30 A 106 PHE CA C 13 61.139 0.30 A 106 PHE CB C 13 37.740 0.30 A 106 PHE N N 15 118.482 0.30 A 107 LYS H H 1 7.564 0.02 A 107 LYS HA H 1 4.100 0.02 A 107 LYS HBx H 1 1.905 0.02 A 107 LYS HGx H 1 1.630 0.02 A 107 LYS HEy H 1 3.248 0.02 A 107 LYS HEx H 1 2.937 0.02 A 107 LYS C C 13 175.623 0.30 A 107 LYS CA C 13 57.973 0.30 A 107 LYS CB C 13 31.480 0.30 A 107 LYS CG C 13 24.570 0.30 A 107 LYS CD C 13 28.690 0.30 A 107 LYS CE C 13 41.860 0.30 A 107 LYS N N 15 119.421 0.30 A 108 ALA H H 1 7.353 0.02 A 108 ALA HA H 1 4.317 0.02 A 108 ALA HB% H 1 1.372 0.02 A 108 ALA C C 13 174.928 0.30 A 108 ALA CA C 13 51.406 0.30 A 108 ALA CB C 13 18.610 0.30 A 108 ALA N N 15 120.349 0.30 A 109 GLY H H 1 7.365 0.02 A 109 GLY HAx H 1 4.570 0.02 A 109 GLY C C 13 172.276 0.30 A 109 GLY CA C 13 44.427 0.30 A 109 GLY N N 15 104.755 0.30 A 110 LEU H H 1 7.693 0.02 A 110 LEU HA H 1 4.061 0.02 A 110 LEU HBx H 1 1.690 0.02 A 110 LEU HG H 1 1.540 0.02 A 110 LEU HDx% H 1 0.860 0.02 A 110 LEU C C 13 172.972 0.30 A 110 LEU CA C 13 55.674 0.30 A 110 LEU CB C 13 41.608 0.30 A 110 LEU CG C 13 26.030 0.30 A 110 LEU CDx C 13 24.830 0.30 A 110 LEU N N 15 123.228 0.30 A 111 HIS H H 1 9.310 0.02 A 111 HIS HA H 1 4.722 0.02 A 111 HIS HBx H 1 3.527 0.02 A 111 HIS C C 13 173.762 0.30 A 111 HIS CA C 13 56.182 0.30 A 111 HIS CB C 13 31.029 0.30 A 111 HIS N N 15 124.271 0.30 A 112 ALA H H 1 7.785 0.02 A 112 ALA HA H 1 4.542 0.02 A 112 ALA HB% H 1 1.168 0.02 A 112 ALA C C 13 172.630 0.30 A 112 ALA CA C 13 51.207 0.30 A 112 ALA CB C 13 22.285 0.30 A 112 ALA N N 15 119.260 0.30 A 113 LEU H H 1 8.586 0.02 A 113 LEU HA H 1 4.444 0.02 A 113 LEU HBy H 1 1.610 0.02 A 113 LEU HBx H 1 1.580 0.02 A 113 LEU HG H 1 1.470 0.02 A 113 LEU HDx% H 1 0.740 0.02 A 113 LEU C C 13 173.386 0.30 A 113 LEU CA C 13 51.953 0.30 A 113 LEU CB C 13 46.199 0.30 A 113 LEU CG C 13 26.890 0.30 A 113 LEU CDy C 13 24.360 0.30 A 113 LEU CDx C 13 24.110 0.30 A 113 LEU N N 15 120.054 0.30 A 114 SER H H 1 8.453 0.02 A 114 SER HA H 1 4.739 0.02 A 114 SER HBx H 1 3.756 0.02 A 114 SER HG H 1 5.260 0.02 A 114 SER C C 13 173.379 0.30 A 114 SER CA C 13 55.998 0.30 A 114 SER CB C 13 62.680 0.30 A 114 SER N N 15 119.708 0.30 A 115 MET H H 1 9.006 0.02 A 115 MET HA H 1 4.675 0.02 A 115 MET HBy H 1 2.120 0.02 A 115 MET HBx H 1 1.980 0.02 A 115 MET HGx H 1 2.370 0.02 A 115 MET HE% H 1 1.730 0.02 A 115 MET C C 13 173.368 0.30 A 115 MET CA C 13 54.578 0.30 A 115 MET CB C 13 36.892 0.30 A 115 MET CG C 13 32.680 0.30 A 115 MET CE C 13 17.560 0.30 A 115 MET N N 15 125.219 0.30 A 116 THR H H 1 8.522 0.02 A 116 THR HA H 1 4.473 0.02 A 116 THR HB H 1 3.936 0.02 A 116 THR HG1 H 1 5.197 0.02 A 116 THR HG2% H 1 1.119 0.02 A 116 THR C C 13 172.454 0.30 A 116 THR CA C 13 61.705 0.30 A 116 THR CB C 13 69.705 0.30 A 116 THR CG2 C 13 21.780 0.30 A 116 THR N N 15 119.267 0.30 A 117 THR H H 1 8.941 0.02 A 117 THR HA H 1 4.672 0.02 A 117 THR HG1 H 1 5.340 0.02 A 117 THR HG2% H 1 1.420 0.02 A 117 THR C C 13 173.469 0.30 A 117 THR CA C 13 55.800 0.30 A 117 THR CB C 13 68.989 0.30 A 117 THR CG2 C 13 21.230 0.30 A 117 THR N N 15 117.477 0.30 A 118 LYS H H 1 8.496 0.02 A 118 LYS HA H 1 4.876 0.02 A 118 LYS HBx H 1 1.660 0.02 A 118 LYS HGx H 1 1.540 0.02 A 118 LYS HDx H 1 1.290 0.02 A 118 LYS HEx H 1 2.690 0.02 A 118 LYS C C 13 173.836 0.30 A 118 LYS CA C 13 54.142 0.30 A 118 LYS CB C 13 36.301 0.30 A 118 LYS CG C 13 24.980 0.30 A 118 LYS CD C 13 28.100 0.30 A 118 LYS CE C 13 42.190 0.30 A 118 LYS N N 15 125.448 0.30 A 119 THR H H 1 8.471 0.02 A 119 THR HA H 1 4.018 0.02 A 119 THR HG1 H 1 5.077 0.02 A 119 THR HG2% H 1 1.512 0.02 A 119 THR C C 13 173.611 0.30 A 119 THR CA C 13 58.562 0.30 A 119 THR CB C 13 67.023 0.30 A 119 THR CG2 C 13 21.860 0.30 A 119 THR N N 15 112.027 0.30 A 120 PRO C C 13 175.086 0.30 A 120 PRO CA C 13 64.417 0.30 A 120 PRO CB C 13 30.514 0.30 A 121 ALA H H 1 7.557 0.02 A 121 ALA HA H 1 4.171 0.02 A 121 ALA HB% H 1 1.317 0.02 A 121 ALA C C 13 176.495 0.30 A 121 ALA CA C 13 51.959 0.30 A 121 ALA CB C 13 18.395 0.30 A 121 ALA N N 15 116.789 0.30 A 122 GLU H H 1 7.376 0.02 A 122 GLU HA H 1 4.062 0.02 A 122 GLU HBx H 1 2.233 0.02 A 122 GLU C C 13 174.064 0.30 A 122 GLU CA C 13 55.236 0.30 A 122 GLU CB C 13 29.745 0.30 A 122 GLU N N 15 119.165 0.30 A 123 GLN H H 1 7.720 0.02 A 123 GLN HA H 1 3.858 0.02 A 123 GLN HBy H 1 2.186 0.02 A 123 GLN HBx H 1 1.878 0.02 A 123 GLN HE2y H 1 7.446 0.02 A 123 GLN HE2x H 1 6.760 0.02 A 123 GLN C C 13 179.073 0.30 A 123 GLN CA C 13 57.193 0.30 A 123 GLN CB C 13 29.248 0.30 A 123 GLN N N 15 125.445 0.30 A 123 GLN NE2 N 15 112.625 0.30 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 24 MET H A 24 MET HA 1.0 . 5.0 2 2 A 24 MET H A 24 MET HGx 1.0 . 5.0 3 3 A 25 ALA H A 25 ALA HA 1.0 . 5.0 4 4 A 26 GLU H A 26 GLU HA 1.0 . 5.0 5 5 A 26 GLU H A 26 GLU HGx 1.0 . 5.0 6 6 A 27 HIS H A 27 HIS HA 1.0 . 5.0 7 7 A 28 GLN H A 28 GLN HA 1.0 . 5.0 8 8 A 29 LEU H A 29 LEU HA 1.0 . 5.0 9 9 A 29 LEU H A 29 LEU HG 1.0 . 5.0 10 10 A 30 GLY H A 30 GLY HAx 1.0 . 5.0 11 11 A 30 GLY H A 30 GLY HAy 1.0 . 5.0 12 12 A 32 ILE H A 32 ILE HA 1.0 . 5.0 13 13 A 32 ILE H A 32 ILE HG21 1.0 . 5.0 14 14 A 33 ALA H A 33 ALA HA 1.0 . 5.0 15 15 A 34 GLY H A 34 GLY HAx 1.0 . 5.0 16 16 A 34 GLY H A 34 GLY HAy 1.0 . 5.0 17 17 A 35 ALA H A 35 ALA HA 1.0 . 5.0 18 18 A 35 ALA H A 35 ALA HB% 1.0 . 5.0 19 19 A 36 ILE H A 36 ILE HA 1.0 . 5.0 20 20 A 36 ILE H A 36 ILE HB 1.0 . 5.0 21 21 A 36 ILE H A 36 ILE HG21 1.0 . 5.0 22 22 A 36 ILE HA A 36 ILE HG21 1.0 . 5.0 23 23 A 36 ILE HB A 36 ILE HG21 1.0 . 5.0 24 24 A 37 LYS H A 37 LYS HA 1.0 . 5.0 25 25 A 37 LYS H A 37 LYS HBx 1.0 . 5.0 26 26 A 37 LYS H A 37 LYS HBy 1.0 . 5.0 27 27 A 37 LYS H A 37 LYS HGx 1.0 . 5.0 28 28 A 37 LYS HA A 37 LYS HGx 1.0 . 5.0 29 29 A 38 SER H A 38 SER HA 1.0 . 5.0 30 30 A 38 SER H A 38 SER HBy 1.0 . 5.0 31 31 A 38 SER H A 38 SER HBx 1.0 . 5.0 32 32 A 39 LYS H A 39 LYS HA 1.0 . 5.0 33 33 A 39 LYS H A 39 LYS HBx 1.0 . 5.0 34 34 A 39 LYS H A 39 LYS HGx 1.0 . 5.0 35 35 A 39 LYS H A 39 LYS HDx 1.0 . 5.0 36 36 A 39 LYS HA A 39 LYS HGx 1.0 . 5.0 37 37 A 40 VAL H A 40 VAL HA 1.0 . 5.0 38 38 A 40 VAL H A 40 VAL HB 1.0 . 5.0 39 39 A 40 VAL H A 40 VAL HGx% 1.0 . 5.0 40 40 A 40 VAL H A 40 VAL HGy% 1.0 . 5.0 41 41 A 40 VAL HA A 40 VAL HGy% 1.0 . 5.0 42 42 A 41 GLU H A 41 GLU HA 1.0 . 5.0 43 43 A 41 GLU H A 41 GLU HGy 1.0 . 5.0 44 44 A 41 GLU HA A 41 GLU HGy 1.0 . 5.0 45 45 A 42 ALA H A 42 ALA HA 1.0 . 5.0 46 46 A 42 ALA H A 42 ALA HB% 1.0 . 5.0 47 47 A 43 ALA H A 43 ALA HA 1.0 . 5.0 48 48 A 43 ALA H A 43 ALA HB% 1.0 . 5.0 49 49 A 44 LEU H A 44 LEU HA 1.0 . 5.0 50 50 A 44 LEU H A 44 LEU HBx 1.0 . 5.0 51 51 A 44 LEU H A 44 LEU HBy 1.0 . 5.0 52 52 A 44 LEU H A 44 LEU HDx% 1.0 . 5.0 53 53 A 44 LEU HA A 44 LEU HDx% 1.0 . 5.0 54 54 A 45 SER H A 45 SER HA 1.0 . 5.0 55 55 A 45 SER H A 45 SER HBx 1.0 . 5.0 56 56 A 45 SER H A 45 SER HBy 1.0 . 5.0 57 57 A 45 SER HA A 45 SER HG 1.0 . 5.0 58 58 A 47 THR H A 47 THR HA 1.0 . 5.0 59 59 A 47 THR H A 47 THR HB 1.0 . 5.0 60 60 A 47 THR H A 47 THR HG2% 1.0 . 5.0 61 61 A 47 THR HA A 47 THR HG2% 1.0 . 5.0 62 62 A 48 HIS H A 48 HIS HA 1.0 . 5.0 63 63 A 48 HIS H A 48 HIS HBx 1.0 . 5.0 64 64 A 49 PHE H A 49 PHE HA 1.0 . 5.0 65 65 A 49 PHE H A 49 PHE HBy 1.0 . 5.0 66 66 A 49 PHE H A 49 PHE HBx 1.0 . 5.0 67 67 A 50 LYS H A 50 LYS HA 1.0 . 5.0 68 68 A 50 LYS H A 50 LYS HBx 1.0 . 5.0 69 69 A 50 LYS H A 50 LYS HGx 1.0 . 5.0 70 70 A 50 LYS HA A 50 LYS HGx 1.0 . 5.0 71 71 A 51 LEU H A 51 LEU HA 1.0 . 5.0 72 72 A 51 LEU H A 51 LEU HBx 1.0 . 5.0 73 73 A 51 LEU H A 51 LEU HDx% 1.0 . 5.0 74 74 A 51 LEU H A 51 LEU HDx% 1.0 . 5.0 75 75 A 51 LEU HA A 51 LEU HDx% 1.0 . 5.0 76 76 A 52 ILE H A 52 ILE HA 1.0 . 5.0 77 77 A 52 ILE H A 52 ILE HB 1.0 . 5.0 78 78 A 52 ILE H A 52 ILE HG21 1.0 . 5.0 79 79 A 52 ILE HA A 52 ILE HG21 1.0 . 5.0 80 80 A 53 ASN H A 53 ASN HA 1.0 . 5.0 81 81 A 53 ASN H A 53 ASN HBx 1.0 . 5.0 82 82 A 53 ASN H A 53 ASN HBy 1.0 . 5.0 83 83 A 54 ASP H A 54 ASP HA 1.0 . 5.0 84 84 A 54 ASP H A 54 ASP HBx 1.0 . 5.0 85 85 A 54 ASP H A 54 ASP HBy 1.0 . 5.0 86 86 A 55 SER H A 55 SER HA 1.0 . 5.0 87 87 A 55 SER H A 55 SER HBx 1.0 . 5.0 88 88 A 55 SER H A 55 SER HBy 1.0 . 5.0 89 89 A 55 SER H A 55 SER HG 1.0 . 5.0 90 90 A 55 SER HA A 55 SER HG 1.0 . 5.0 91 91 A 56 HIS H A 56 HIS HA 1.0 . 5.0 92 92 A 56 HIS H A 56 HIS HBx 1.0 . 5.0 93 93 A 57 LYS H A 57 LYS HA 1.0 . 5.0 94 94 A 57 LYS H A 57 LYS HBx 1.0 . 5.0 95 95 A 57 LYS H A 57 LYS HGx 1.0 . 5.0 96 96 A 57 LYS HA A 57 LYS HGx 1.0 . 5.0 97 97 A 57 LYS H A 57 LYS HGy 1.0 . 5.0 98 98 A 58 HIS H A 58 HIS HA 1.0 . 5.0 99 99 A 58 HIS H A 58 HIS HBx 1.0 . 5.0 100 100 A 59 ALA H A 59 ALA HA 1.0 . 5.0 101 101 A 59 ALA H A 59 ALA HB% 1.0 . 5.0 102 102 A 60 GLY H A 60 GLY HAx 1.0 . 5.0 103 103 A 61 HIS H A 61 HIS HA 1.0 . 5.0 104 104 A 61 HIS H A 61 HIS HBx 1.0 . 5.0 105 105 A 62 TYR H A 62 TYR HA 1.0 . 5.0 106 106 A 62 TYR H A 62 TYR HBy 1.0 . 5.0 107 107 A 62 TYR H A 62 TYR HBx 1.0 . 5.0 108 108 A 63 ALA H A 63 ALA HA 1.0 . 5.0 109 109 A 63 ALA H A 63 ALA HB% 1.0 . 5.0 110 110 A 64 ARG H A 64 ARG HA 1.0 . 5.0 111 111 A 64 ARG H A 64 ARG HBx 1.0 . 5.0 112 112 A 64 ARG H A 64 ARG HBy 1.0 . 5.0 113 113 A 64 ARG H A 64 ARG HGx 1.0 . 5.0 114 114 A 64 ARG HA A 64 ARG HGx 1.0 . 5.0 115 115 A 65 ASP H A 65 ASP HA 1.0 . 5.0 116 116 A 65 ASP H A 65 ASP HBy 1.0 . 5.0 117 117 A 65 ASP H A 65 ASP HBx 1.0 . 5.0 118 118 A 66 GLY H A 66 GLY HAy 1.0 . 5.0 119 119 A 66 GLY H A 66 GLY HAy 1.0 . 5.0 120 120 A 67 SER H A 67 SER HA 1.0 . 5.0 121 121 A 67 SER H A 67 SER HBy 1.0 . 5.0 122 122 A 67 SER H A 67 SER HBx 1.0 . 5.0 123 123 A 68 THR H A 68 THR HA 1.0 . 5.0 124 124 A 68 THR H A 68 THR HB 1.0 . 5.0 125 125 A 68 THR H A 68 THR HG2% 1.0 . 5.0 126 126 A 68 THR HA A 68 THR HG2% 1.0 . 5.0 127 127 A 69 ALA H A 69 ALA HA 1.0 . 5.0 128 128 A 69 ALA H A 69 ALA HB% 1.0 . 5.0 129 129 A 70 SER H A 70 SER HA 1.0 . 5.0 130 130 A 71 ASP H A 71 ASP HA 1.0 . 5.0 131 131 A 71 ASP H A 71 ASP HBy 1.0 . 5.0 132 132 A 72 ALA H A 72 ALA HA 1.0 . 5.0 133 133 A 72 ALA H A 72 ALA HB% 1.0 . 5.0 134 134 A 73 GLY H A 73 GLY HAx 1.0 . 5.0 135 135 A 74 GLU H A 74 GLU HA 1.0 . 5.0 136 136 A 74 GLU H A 74 GLU HBx 1.0 . 5.0 137 137 A 74 GLU H A 74 GLU HBy 1.0 . 5.0 138 138 A 75 THR H A 75 THR HA 1.0 . 5.0 139 139 A 75 THR H A 75 THR HB 1.0 . 5.0 140 140 A 75 THR H A 75 THR HG1 1.0 . 5.0 141 141 A 75 THR H A 75 THR HG2% 1.0 . 5.0 142 142 A 75 THR HA A 75 THR HG2% 1.0 . 5.0 143 143 A 76 HIS H A 76 HIS HA 1.0 . 5.0 144 144 A 76 HIS H A 76 HIS HBx 1.0 . 5.0 145 145 A 76 HIS H A 76 HIS HBy 1.0 . 5.0 146 146 A 76 HIS H A 76 HIS HD2 1.0 . 5.0 147 147 A 76 HIS HA A 76 HIS HD2 1.0 . 5.0 148 148 A 77 PHE H A 77 PHE HA 1.0 . 5.0 149 149 A 77 PHE H A 77 PHE HBx 1.0 . 5.0 150 150 A 77 PHE H A 77 PHE HBy 1.0 . 5.0 151 151 A 78 ARG H A 78 ARG HA 1.0 . 5.0 152 152 A 78 ARG H A 78 ARG HBx 1.0 . 5.0 153 153 A 78 ARG H A 78 ARG HGx 1.0 . 5.0 154 154 A 78 ARG HA A 78 ARG HGx 1.0 . 5.0 155 155 A 78 ARG HA A 78 ARG HDx 1.0 . 5.0 156 156 A 79 LEU H A 79 LEU HA 1.0 . 5.0 157 157 A 79 LEU H A 79 LEU HBx 1.0 . 5.0 158 158 A 79 LEU H A 79 LEU HG 1.0 . 5.0 159 159 A 79 LEU H A 79 LEU HDx% 1.0 . 5.0 160 160 A 79 LEU HA A 79 LEU HDx% 1.0 . 5.0 161 161 A 80 GLU H A 80 GLU HA 1.0 . 5.0 162 162 A 80 GLU H A 80 GLU HBx 1.0 . 5.0 163 163 A 80 GLU H A 80 GLU HBy 1.0 . 5.0 164 164 A 81 VAL H A 81 VAL HA 1.0 . 5.0 165 165 A 81 VAL H A 81 VAL HB 1.0 . 5.0 166 166 A 81 VAL H A 81 VAL HGx% 1.0 . 5.0 167 167 A 81 VAL H A 81 VAL HGy% 1.0 . 5.0 168 168 A 81 VAL HA A 81 VAL HGy% 1.0 . 5.0 169 169 A 82 THR H A 82 THR HA 1.0 . 5.0 170 170 A 82 THR H A 82 THR HB 1.0 . 5.0 171 171 A 82 THR H A 82 THR HG2% 1.0 . 5.0 172 172 A 82 THR HA A 82 THR HG2% 1.0 . 5.0 173 173 A 83 SER H A 83 SER HA 1.0 . 5.0 174 174 A 83 SER H A 83 SER HBx 1.0 . 5.0 175 175 A 83 SER H A 83 SER HBy 1.0 . 5.0 176 176 A 84 ASP H A 84 ASP HA 1.0 . 5.0 177 177 A 84 ASP H A 84 ASP HBy 1.0 . 5.0 178 178 A 84 ASP H A 84 ASP HBx 1.0 . 5.0 179 179 A 85 ALA H A 85 ALA HA 1.0 . 5.0 180 180 A 85 ALA H A 85 ALA HB% 1.0 . 5.0 181 181 A 86 PHE H A 86 PHE HA 1.0 . 5.0 182 182 A 86 PHE H A 86 PHE HBx 1.0 . 5.0 183 183 A 86 PHE H A 86 PHE HBy 1.0 . 5.0 184 184 A 87 LYS H A 87 LYS HA 1.0 . 5.0 185 185 A 87 LYS H A 87 LYS HBx 1.0 . 5.0 186 186 A 87 LYS H A 87 LYS HDx 1.0 . 5.0 187 187 A 88 GLY H A 88 GLY HAx 1.0 . 5.0 188 188 A 88 GLY H A 88 GLY HAy 1.0 . 5.0 189 189 A 89 LEU H A 89 LEU HA 1.0 . 5.0 190 190 A 89 LEU H A 89 LEU HBx 1.0 . 5.0 191 191 A 89 LEU H A 89 LEU HDx% 1.0 . 5.0 192 192 A 89 LEU H A 89 LEU HG 1.0 . 5.0 193 193 A 89 LEU HA A 89 LEU HG 1.0 . 5.0 194 194 A 90 THR H A 90 THR HA 1.0 . 5.0 195 195 A 90 THR H A 90 THR HB 1.0 . 5.0 196 196 A 91 LEU H A 91 LEU HA 1.0 . 5.0 197 197 A 91 LEU H A 91 LEU HBx 1.0 . 5.0 198 198 A 91 LEU H A 91 LEU HG 1.0 . 5.0 199 199 A 91 LEU HA A 91 LEU HG 1.0 . 5.0 200 200 A 92 VAL H A 92 VAL HA 1.0 . 5.0 201 201 A 92 VAL H A 92 VAL HB 1.0 . 5.0 202 202 A 92 VAL H A 92 VAL HGy% 1.0 . 5.0 203 203 A 92 VAL HA A 92 VAL HGy% 1.0 . 5.0 204 204 A 93 LYS H A 93 LYS HA 1.0 . 5.0 205 205 A 93 LYS H A 93 LYS HBx 1.0 . 5.0 206 206 A 93 LYS H A 93 LYS HGx 1.0 . 5.0 207 207 A 93 LYS HA A 93 LYS HGx 1.0 . 5.0 208 208 A 94 ARG H A 94 ARG HA 1.0 . 5.0 209 209 A 94 ARG H A 94 ARG HBx 1.0 . 5.0 210 210 A 94 ARG H A 94 ARG HGy 1.0 . 5.0 211 211 A 94 ARG HA A 94 ARG HGy 1.0 . 5.0 212 212 A 95 HIS H A 95 HIS HA 1.0 . 5.0 213 213 A 95 HIS H A 95 HIS HBx 1.0 . 5.0 214 214 A 96 GLN H A 96 GLN HA 1.0 . 5.0 215 215 A 96 GLN H A 96 GLN HBx 1.0 . 5.0 216 216 A 96 GLN H A 96 GLN HBy 1.0 . 5.0 217 217 A 96 GLN H A 96 GLN HGx 1.0 . 5.0 218 218 A 96 GLN H A 96 GLN HGy 1.0 . 5.0 219 219 A 96 GLN HA A 96 GLN HGy 1.0 . 5.0 220 220 A 97 LEU H A 97 LEU HA 1.0 . 5.0 221 221 A 97 LEU H A 97 LEU HBx 1.0 . 5.0 222 222 A 98 ILE H A 98 ILE HA 1.0 . 5.0 223 223 A 98 ILE H A 98 ILE HB 1.0 . 5.0 224 224 A 98 ILE H A 98 ILE HG2% 1.0 . 5.0 225 225 A 98 ILE HA A 98 ILE HG2% 1.0 . 5.0 226 226 A 99 TYR H A 99 TYR HA 1.0 . 5.0 227 227 A 99 TYR H A 99 TYR HBx 1.0 . 5.0 228 228 A 99 TYR H A 99 TYR HBy 1.0 . 5.0 229 229 A 100 GLY H A 100 GLY HAx 1.0 . 5.0 230 230 A 101 LEU H A 101 LEU HA 1.0 . 5.0 231 231 A 101 LEU H A 101 LEU HBx 1.0 . 5.0 232 232 A 101 LEU H A 101 LEU HG 1.0 . 5.0 233 233 A 101 LEU HA A 101 LEU HG 1.0 . 5.0 234 234 A 102 LEU H A 102 LEU HA 1.0 . 5.0 235 235 A 102 LEU H A 102 LEU HBx 1.0 . 5.0 236 236 A 103 SER H A 103 SER HA 1.0 . 5.0 237 237 A 103 SER H A 103 SER HBx 1.0 . 5.0 238 238 A 104 ASP H A 104 ASP HA 1.0 . 5.0 239 239 A 104 ASP H A 104 ASP HBx 1.0 . 5.0 240 240 A 104 ASP H A 104 ASP HBy 1.0 . 5.0 241 241 A 105 GLU H A 105 GLU HA 1.0 . 5.0 242 242 A 105 GLU H A 105 GLU HBx 1.0 . 5.0 243 243 A 105 GLU H A 105 GLU HBy 1.0 . 5.0 244 244 A 106 PHE H A 106 PHE HA 1.0 . 5.0 245 245 A 106 PHE H A 106 PHE HBx 1.0 . 5.0 246 246 A 107 LYS H A 107 LYS HA 1.0 . 5.0 247 247 A 107 LYS H A 107 LYS HBx 1.0 . 5.0 248 248 A 107 LYS H A 107 LYS HGx 1.0 . 5.0 249 249 A 107 LYS HA A 107 LYS HGx 1.0 . 5.0 250 250 A 108 ALA H A 108 ALA HA 1.0 . 5.0 251 251 A 108 ALA H A 108 ALA HB% 1.0 . 5.0 252 252 A 109 GLY H A 109 GLY HAx 1.0 . 5.0 253 253 A 110 LEU H A 110 LEU HA 1.0 . 5.0 254 254 A 110 LEU H A 110 LEU HBx 1.0 . 5.0 255 255 A 110 LEU H A 110 LEU HBy 1.0 . 5.0 256 256 A 111 HIS H A 111 HIS HA 1.0 . 5.0 257 257 A 111 HIS H A 111 HIS HBx 1.0 . 5.0 258 258 A 112 ALA H A 112 ALA HA 1.0 . 5.0 259 259 A 112 ALA H A 112 ALA HB% 1.0 . 5.0 260 260 A 113 LEU H A 113 LEU HA 1.0 . 5.0 261 261 A 113 LEU H A 113 LEU HBy 1.0 . 5.0 262 262 A 113 LEU H A 113 LEU HBx 1.0 . 5.0 263 263 A 113 LEU HA A 113 LEU HG 1.0 . 5.0 264 264 A 114 SER H A 114 SER HA 1.0 . 5.0 265 265 A 114 SER H A 114 SER HBx 1.0 . 5.0 266 266 A 114 SER H A 114 SER HBy 1.0 . 5.0 267 267 A 114 SER HA A 114 SER HG 1.0 . 5.0 268 268 A 115 MET H A 115 MET HA 1.0 . 5.0 269 269 A 115 MET H A 115 MET HBy 1.0 . 5.0 270 270 A 116 THR H A 116 THR HA 1.0 . 5.0 271 271 A 116 THR H A 116 THR HB 1.0 . 5.0 272 272 A 116 THR H A 116 THR HG2% 1.0 . 5.0 273 273 A 116 THR HA A 116 THR HG2% 1.0 . 5.0 274 274 A 117 THR H A 117 THR HA 1.0 . 5.0 275 275 A 117 THR H A 117 THR HB 1.0 . 5.0 276 276 A 117 THR H A 117 THR HG2% 1.0 . 5.0 277 277 A 117 THR HA A 117 THR HG2% 1.0 . 5.0 278 278 A 118 LYS H A 118 LYS HA 1.0 . 5.0 279 279 A 118 LYS H A 118 LYS HBx 1.0 . 5.0 280 280 A 118 LYS H A 118 LYS HBy 1.0 . 5.0 281 281 A 118 LYS H A 118 LYS HGx 1.0 . 5.0 282 282 A 118 LYS HA A 118 LYS HGx 1.0 . 5.0 283 283 A 119 THR H A 119 THR HA 1.0 . 5.0 284 284 A 119 THR H A 119 THR HB 1.0 . 5.0 285 285 A 119 THR HA A 119 THR HG2% 1.0 . 5.0 286 286 A 121 ALA H A 121 ALA HA 1.0 . 5.0 287 287 A 121 ALA H A 121 ALA HB% 1.0 . 5.0 288 288 A 122 GLU H A 122 GLU HA 1.0 . 5.0 289 289 A 122 GLU H A 122 GLU HBx 1.0 . 5.0 290 290 A 122 GLU H A 122 GLU HBy 1.0 . 5.0 291 291 A 123 GLN H A 123 GLN HA 1.0 . 5.0 292 292 A 24 MET HA A 25 ALA H 1.0 . 5.0 293 293 A 24 MET HGx A 25 ALA H 1.0 . 5.0 294 294 A 25 ALA HA A 26 GLU H 1.0 . 5.0 295 295 A 26 GLU HA A 27 HIS H 1.0 . 5.0 296 296 A 26 GLU HGx A 27 HIS H 1.0 . 5.0 297 297 A 28 GLN HA A 29 LEU H 1.0 . 5.0 298 298 A 29 LEU HA A 30 GLY H 1.0 . 5.0 299 299 A 29 LEU HG A 30 GLY H 1.0 . 5.0 300 300 A 32 ILE HA A 33 ALA H 1.0 . 5.0 301 301 A 52 ILE HA A 32 ILE HD11 1.0 . 5.5 302 302 A 33 ALA HA A 34 GLY H 1.0 . 5.0 303 303 A 33 ALA HA A 36 ILE H 1.0 . 5.0 304 304 A 33 ALA HA A 34 GLY HAx 1.0 . 5.0 305 305 A 33 ALA HA A 36 ILE HG21 1.0 . 5.2 306 306 A 33 ALA HA A 36 ILE HD11 1.0 . 5.2 307 307 A 33 ALA HA A 36 ILE HB 1.0 . 5.0 308 308 A 34 GLY HAx A 35 ALA H 1.0 . 5.0 309 309 A 34 GLY HAy A 35 ALA H 1.0 . 5.0 310 310 A 34 GLY HAx A 37 LYS HGx 1.0 . 5.9 311 311 A 34 GLY H A 35 ALA H 1.0 . 5.0 312 312 A 34 GLY HAx A 104 ASP HBx 1.0 . 5.8 313 313 A 34 GLY HAy A 37 LYS HBx 1.0 . 5.0 314 314 A 34 GLY HAy A 35 ALA HB% 1.0 . 5.0 315 315 A 34 GLY HAx A 36 ILE H 1.0 . 5.0 316 316 A 35 ALA HA A 36 ILE H 1.0 . 3.5 317 317 A 35 ALA HA A 38 SER H 1.0 . 5.0 318 318 A 35 ALA H A 36 ILE H 1.0 . 3.5 319 319 A 35 ALA HB% A 104 ASP H 1.0 . 5.0 320 320 A 35 ALA H A 104 ASP HBx 1.0 . 5.4 321 321 A 35 ALA H A 103 SER HBx 1.0 . 5.0 322 322 A 35 ALA H A 103 SER HBx 1.0 . 5.0 323 323 A 35 ALA HB% A 103 SER HBx 1.0 . 5.0 324 324 A 35 ALA HA A 103 SER HG 1.0 . 5.0 325 325 A 35 ALA HA A 103 SER HBx 1.0 . 5.0 326 326 A 35 ALA HB% A 103 SER H 1.0 . 5.2 327 327 A 35 ALA HA A 38 SER H 1.0 . 5.0 328 328 A 35 ALA HA A 38 SER HG 1.0 . 5.6 329 329 A 35 ALA HA A 39 LYS H 1.0 . 5.6 330 330 A 35 ALA HB% A 101 LEU HA 1.0 . 5.0 331 331 A 35 ALA HB% A 79 LEU HD21 1.0 . 5.8 332 332 A 35 ALA HB% A 79 LEU HG 1.0 . 5.0 333 333 A 35 ALA HB% A 100 GLY HAx 1.0 . 5.0 334 334 A 36 ILE HA A 37 LYS H 1.0 . 3.5 335 335 A 36 ILE H A 37 LYS H 1.0 . 2.8 336 336 A 36 ILE HA A 39 LYS H 1.0 . 5.0 337 337 A 36 ILE HG21 A 37 LYS H 1.0 . 5.0 338 338 A 36 ILE HG21 A 39 LYS HGx 1.0 . 5.3 339 339 A 36 ILE HA A 39 LYS HGx 1.0 . 5.0 340 340 A 36 ILE HG21 A 39 LYS H 1.0 . 5.5 341 341 A 36 ILE HA A 39 LYS HBx 1.0 . 5.2 342 342 A 36 ILE HA A 39 LYS HBx 1.0 . 5.2 343 343 A 36 ILE HB A 51 LEU HD21 1.0 . 6.0 344 344 A 36 ILE HG21 A 51 LEU HD21 1.0 . 5.0 345 345 A 36 ILE H A 51 LEU HD21 1.0 . 5.4 346 346 A 36 ILE HG21 A 51 LEU HDx% 1.0 . 5.9 347 347 A 36 ILE H A 51 LEU HDx% 1.0 . 5.0 348 348 A 36 ILE HG21 A 40 VAL H 1.0 . 5.8 349 349 A 36 ILE HA A 40 VAL H 1.0 . 5.0 350 350 A 36 ILE HA A 40 VAL HB 1.0 . 5.8 351 351 A 36 ILE HA A 51 LEU HDx% 1.0 . 5.2 352 352 A 36 ILE HG21 A 51 LEU HD21 1.0 . 5.2 353 353 A 37 LYS HA A 38 SER H 1.0 . 3.5 354 354 A 37 LYS HGx A 38 SER H 1.0 . 5.0 355 355 A 37 LYS H A 38 SER H 1.0 . 2.8 356 356 A 37 LYS HA A 40 VAL H 1.0 . 5.0 357 357 A 37 LYS HA A 40 VAL HGy% 1.0 . 5.0 358 358 A 37 LYS HA A 40 VAL HB 1.0 . 5.0 359 359 A 37 LYS HA A 41 GLU H 1.0 . 5.0 360 360 A 37 LYS HGx A 40 VAL HGy% 1.0 . 5.3 361 361 A 37 LYS HA A 40 VAL HGy% 1.0 . 5.0 362 362 A 38 SER HA A 39 LYS H 1.0 . 3.5 363 363 A 39 LYS H A 38 SER HG 1.0 . 5.0 364 364 A 38 SER H A 39 LYS H 1.0 . 3.0 365 365 A 38 SER HA A 41 GLU H 1.0 . 5.0 366 366 A 38 SER HA A 41 GLU HGy 1.0 . 5.2 367 367 A 38 SER HA A 41 GLU HBx 1.0 . 5.1 368 368 A 38 SER HA A 42 ALA H 1.0 . 5.6 369 369 A 38 SER HA A 41 GLU HBx 1.0 . 5.1 370 370 A 38 SER HBy A 51 LEU HDx% 1.0 . 5.2 371 371 A 38 SER HBx A 98 ILE HB 1.0 . 5.0 372 372 A 38 SER HBx A 100 GLY HAx 1.0 . 5.0 373 373 A 38 SER HA A 98 ILE HG1y 1.0 . 5.7 374 374 A 98 ILE HA A 38 SER HG 1.0 . 5.0 375 375 A 39 LYS HA A 40 VAL H 1.0 . 3.5 376 376 A 39 LYS HGx A 40 VAL H 1.0 . 5.0 377 377 A 39 LYS HDx A 40 VAL H 1.0 . 5.6 378 378 A 39 LYS HA A 42 ALA H 1.0 . 3.5 379 379 A 39 LYS HA A 42 ALA HB% 1.0 . 5.0 380 380 A 39 LYS HA A 43 ALA H 1.0 . 5.2 381 381 A 39 LYS H A 40 VAL H 1.0 . 2.8 382 382 A 39 LYS H A 49 PHE HBy 1.0 . 5.8 383 383 A 39 LYS HA A 49 PHE HBy 1.0 . 5.0 384 384 A 39 LYS HBx A 42 ALA H 1.0 . 5.3 385 385 A 39 LYS HBx A 43 ALA H 1.0 . 5.7 386 386 A 39 LYS HGx A 49 PHE HBy 1.0 . 5.0 387 387 A 39 LYS HDx A 50 LYS H 1.0 . 5.5 388 388 A 39 LYS HA A 98 ILE HG1y 1.0 . 5.7 389 389 A 39 LYS HA A 98 ILE HD11 1.0 . 5.0 390 390 A 98 ILE HD11 A 39 LYS HBy 1.0 . 5.1 391 391 A 39 LYS HBy A 79 LEU HD21 1.0 . 5.0 392 392 A 40 VAL HA A 41 GLU H 1.0 . 3.5 393 393 A 40 VAL HA A 43 ALA H 1.0 . 5.0 394 394 A 40 VAL HA A 43 ALA HB% 1.0 . 5.0 395 395 A 40 VAL HA A 44 LEU H 1.0 . 5.5 396 396 A 40 VAL HGx% A 41 GLU H 1.0 . 5.0 397 397 A 40 VAL HGy% A 41 GLU H 1.0 . 5.0 398 398 A 40 VAL H A 41 GLU H 1.0 . 2.8 399 399 A 40 VAL HA A 43 ALA HB% 1.0 . 5.0 400 400 A 40 VAL HGy% A 43 ALA HB% 1.0 . 5.0 401 401 A 40 VAL HB A 43 ALA H 1.0 . 5.3 402 402 A 40 VAL HGy% A 43 ALA H 1.0 . 5.0 403 403 A 40 VAL HGx% A 44 LEU HD21 1.0 . 5.0 404 404 A 41 GLU HA A 42 ALA H 1.0 . 5.0 405 405 A 41 GLU HA A 44 LEU H 1.0 . 5.0 406 406 A 41 GLU HA A 44 LEU HBx 1.0 . 5.1 407 407 A 41 GLU HA A 44 LEU HDx% 1.0 . 5.0 408 408 A 41 GLU HGy A 42 ALA H 1.0 . 5.0 409 409 A 41 GLU H A 42 ALA H 1.0 . 5.0 410 410 A 42 ALA H A 41 GLU HGx 1.0 . 5.0 411 411 A 41 GLU H A 98 ILE HB 1.0 . 5.7 412 412 A 98 ILE HB A 41 GLU HGx 1.0 . 5.0 413 413 A 41 GLU HA A 44 LEU HD21 1.0 . 5.0 414 414 A 98 ILE HA A 41 GLU HBy 1.0 . 5.1 415 415 A 98 ILE HG2% A 41 GLU HBy 1.0 . 5.0 416 416 A 42 ALA HA A 43 ALA H 1.0 . 5.0 417 417 A 42 ALA HB% A 47 THR HG2% 1.0 . 5.0 418 418 A 42 ALA HB% A 97 LEU HD11 1.0 . 5.2 419 419 A 42 ALA H A 43 ALA H 1.0 . 5.0 420 420 A 42 ALA HA A 44 LEU H 1.0 . 5.0 421 421 A 42 ALA HB% A 47 THR HB 1.0 . 5.4 422 422 A 42 ALA HB% A 47 THR HG2% 1.0 . 5.0 423 423 A 42 ALA HB% A 49 PHE HDx 1.0 . 5.8 424 424 A 43 ALA HA A 44 LEU H 1.0 . 5.0 425 425 A 43 ALA H A 44 LEU H 1.0 . 5.0 426 426 A 43 ALA HA A 45 SER H 1.0 . 5.0 427 427 A 43 ALA HB% A 44 LEU HD21 1.0 . 5.0 428 428 A 44 LEU HA A 45 SER H 1.0 . 5.0 429 429 A 44 LEU HBx A 45 SER H 1.0 . 5.0 430 430 A 44 LEU HBy A 45 SER H 1.0 . 5.0 431 431 A 44 LEU HDx% A 45 SER H 1.0 . 5.0 432 432 A 44 LEU H A 45 SER H 1.0 . 5.0 433 433 A 44 LEU H A 47 THR HG2% 1.0 . 5.3 434 434 A 45 SER H A 47 THR HG2% 1.0 . 5.0 435 435 A 45 SER HBy A 47 THR H 1.0 . 5.0 436 436 A 45 SER HG A 47 THR HG2% 1.0 . 5.0 437 437 A 47 THR HA A 48 HIS H 1.0 . 5.0 438 438 A 47 THR HB A 48 HIS H 1.0 . 5.0 439 439 A 47 THR HG2% A 48 HIS H 1.0 . 5.0 440 440 A 47 THR H A 48 HIS H 1.0 . 5.0 441 441 A 47 THR HG2% A 83 SER H 1.0 . 5.8 442 442 A 47 THR H A 83 SER HBy 1.0 . 5.6 443 443 A 47 THR HG2% A 84 ASP H 1.0 . 5.9 444 444 A 48 HIS H A 47 THR HG1 1.0 . 5.0 445 445 A 83 SER H A 47 THR HG1 1.0 . 5.0 446 446 A 84 ASP H A 47 THR HG1 1.0 . 5.2 447 447 A 47 THR HB A 84 ASP H 1.0 . 5.0 448 448 A 47 THR HB A 82 THR H 1.0 . 5.8 449 449 A 47 THR HA A 83 SER HBx 1.0 . 5.0 450 450 A 47 THR HA A 83 SER H 1.0 . 5.2 451 451 A 47 THR HG2% A 94 ARG HDx 1.0 . 5.8 452 452 A 47 THR HA A 83 SER HA 1.0 . 5.0 453 453 A 47 THR HA A 84 ASP H 1.0 . 5.0 454 454 A 47 THR HB A 83 SER H 1.0 . 5.1 455 455 A 47 THR HB A 83 SER HBy 1.0 . 5.0 456 456 A 47 THR HB A 83 SER HG 1.0 . 5.0 457 457 A 47 THR HG2% A 48 HIS HA 1.0 . 5.0 458 458 A 47 THR HG2% A 82 THR H 1.0 . 5.2 459 459 A 47 THR HG2% A 83 SER HA 1.0 . 5.0 460 460 A 47 THR HG2% A 83 SER HBy 1.0 . 5.0 461 461 A 48 HIS HA A 49 PHE H 1.0 . 5.0 462 462 A 48 HIS HBx A 49 PHE H 1.0 . 5.0 463 463 A 48 HIS H A 82 THR H 1.0 . 3.5 464 464 A 48 HIS HA A 82 THR H 1.0 . 5.0 465 465 A 48 HIS H A 82 THR HA 1.0 . 5.0 466 466 A 48 HIS H A 81 VAL HB 1.0 . 5.2 467 467 A 48 HIS H A 81 VAL HA 1.0 . 5.0 468 468 A 48 HIS H A 82 THR HG2% 1.0 . 5.0 469 469 A 48 HIS H A 81 VAL HGy% 1.0 . 5.0 470 470 A 48 HIS HBx A 82 THR H 1.0 . 5.0 471 471 A 82 THR H A 48 HIS HBy 1.0 . 5.0 472 472 A 83 SER H A 48 HIS HBy 1.0 . 5.9 473 473 A 48 HIS HBx A 82 THR HB 1.0 . 5.0 474 474 A 48 HIS H A 82 THR HB 1.0 . 5.0 475 475 A 48 HIS HA A 82 THR HB 1.0 . 5.5 476 476 A 82 THR HB A 48 HIS HBy 1.0 . 5.0 477 477 A 82 THR HG2% A 48 HIS HBy 1.0 . 5.0 478 478 A 48 HIS H A 82 THR H 1.0 . 5.0 479 479 A 48 HIS H A 83 SER HA 1.0 . 5.0 480 480 A 48 HIS H A 84 ASP H 1.0 . 5.0 481 481 A 81 VAL HA A 48 HIS HBy 1.0 . 5.0 482 482 A 82 THR HA A 48 HIS HBy 1.0 . 5.2 483 483 A 48 HIS H A 81 VAL HGy% 1.0 . 5.0 484 484 A 48 HIS H A 83 SER H 1.0 . 5.0 485 485 A 48 HIS H A 83 SER HBy 1.0 . 5.0 486 486 A 49 PHE HA A 50 LYS H 1.0 . 5.0 487 487 A 49 PHE HBy A 50 LYS H 1.0 . 5.0 488 488 A 49 PHE HBx A 50 LYS H 1.0 . 5.0 489 489 A 49 PHE H A 81 VAL HA 1.0 . 5.0 490 490 A 49 PHE HA A 81 VAL HA 1.0 . 5.0 491 491 A 49 PHE HA A 81 VAL HB 1.0 . 5.0 492 492 A 49 PHE HBy A 81 VAL HA 1.0 . 5.0 493 493 A 49 PHE HA A 82 THR H 1.0 . 5.0 494 494 A 49 PHE HA A 80 GLU H 1.0 . 5.0 495 495 A 49 PHE H A 81 VAL HB 1.0 . 5.4 496 496 A 49 PHE HA A 81 VAL HB 1.0 . 5.0 497 497 A 49 PHE H A 81 VAL HB 1.0 . 5.4 498 498 A 49 PHE H A 50 LYS H 1.0 . 5.0 499 499 A 49 PHE H A 82 THR H 1.0 . 5.0 500 500 A 49 PHE HA A 50 LYS HBy 1.0 . 5.0 501 501 A 49 PHE HBx A 81 VAL HB 1.0 . 5.0 502 502 A 49 PHE HBx A 81 VAL HGy% 1.0 . 5.7 503 503 A 49 PHE HBx A 98 ILE HD11 1.0 . 5.0 504 504 A 50 LYS HA A 51 LEU H 1.0 . 5.0 505 505 A 50 LYS HBx A 51 LEU H 1.0 . 5.0 506 506 A 50 LYS HGx A 51 LEU H 1.0 . 5.0 507 507 A 50 LYS HA A 80 GLU H 1.0 . 5.0 508 508 A 50 LYS HGx A 80 GLU H 1.0 . 5.0 509 509 A 50 LYS H A 80 GLU HBx 1.0 . 5.5 510 510 A 50 LYS H A 81 VAL HA 1.0 . 5.0 511 511 A 80 GLU H A 50 LYS HDx 1.0 . 5.0 512 512 A 50 LYS H A 51 LEU H 1.0 . 5.0 513 513 A 50 LYS HGx A 80 GLU H 1.0 . 5.0 514 514 A 80 GLU H A 50 LYS HDx 1.0 . 5.0 515 515 A 50 LYS HGx A 80 GLU HBx 1.0 . 5.4 516 516 A 50 LYS H A 80 GLU HA 1.0 . 5.1 517 517 A 50 LYS H A 80 GLU HBy 1.0 . 5.5 518 518 A 50 LYS H A 81 VAL H 1.0 . 5.0 519 519 A 50 LYS H A 81 VAL HB 1.0 . 5.0 520 520 A 50 LYS H A 81 VAL HGx% 1.0 . 5.0 521 521 A 50 LYS H A 82 THR H 1.0 . 5.2 522 522 A 50 LYS HA A 80 GLU H 1.0 . 5.0 523 523 A 80 GLU H A 50 LYS HBy 1.0 . 5.0 524 524 A 80 GLU HBy A 50 LYS HBy 1.0 . 5.0 525 525 A 52 ILE HG21 A 50 LYS HDy 1.0 . 5.0 526 526 A 79 LEU HA A 50 LYS HDy 1.0 . 5.8 527 527 A 80 GLU HBy A 50 LYS HDy 1.0 . 5.8 528 528 A 50 LYS HDy A 80 GLU HGy 1.0 . 5.2 529 529 A 51 LEU HA A 52 ILE H 1.0 . 5.0 530 530 A 51 LEU HBx A 52 ILE H 1.0 . 5.0 531 531 A 51 LEU H A 52 ILE H 1.0 . 5.0 532 532 A 51 LEU HDx% A 52 ILE H 1.0 . 5.0 533 533 A 52 ILE H A 51 LEU HD21 1.0 . 5.0 534 534 A 51 LEU HA A 80 GLU H 1.0 . 5.0 535 535 A 51 LEU HA A 79 LEU HA 1.0 . 5.0 536 536 A 51 LEU HA A 79 LEU HG 1.0 . 5.2 537 537 A 51 LEU HBx A 79 LEU H 1.0 . 5.8 538 538 A 78 ARG H A 51 LEU HD21 1.0 . 5.2 539 539 A 51 LEU HA A 79 LEU HBx 1.0 . 5.0 540 540 A 51 LEU HDx% A 100 GLY H 1.0 . 5.5 541 541 A 51 LEU H A 52 ILE HG21 1.0 . 5.0 542 542 A 51 LEU H A 79 LEU HD21 1.0 . 5.0 543 543 A 51 LEU HA A 52 ILE HA 1.0 . 5.0 544 544 A 51 LEU HA A 52 ILE HG21 1.0 . 5.0 545 545 A 51 LEU HA A 79 LEU H 1.0 . 5.1 546 546 A 51 LEU HA A 79 LEU HDx% 1.0 . 5.1 547 547 A 79 LEU HDx% A 51 LEU HBy 1.0 . 5.9 548 548 A 52 ILE H A 51 LEU HG 1.0 . 5.0 549 549 A 78 ARG H A 51 LEU HG 1.0 . 5.0 550 550 A 79 LEU HDx% A 51 LEU HG 1.0 . 5.6 551 551 A 51 LEU HDx% A 101 LEU HA 1.0 . 5.0 552 552 A 51 LEU HDx% A 101 LEU HD11 1.0 . 5.1 553 553 A 51 LEU HDx% A 98 ILE HD11 1.0 . 5.0 554 554 A 52 ILE HA A 53 ASN H 1.0 . 5.0 555 555 A 52 ILE H A 79 LEU HA 1.0 . 5.0 556 556 A 52 ILE H A 78 ARG H 1.0 . 3.5 557 557 A 52 ILE HA A 78 ARG H 1.0 . 5.0 558 558 A 52 ILE HB A 78 ARG H 1.0 . 5.4 559 559 A 52 ILE H A 78 ARG HBx 1.0 . 5.5 560 560 A 52 ILE H A 78 ARG HGx 1.0 . 5.0 561 561 A 52 ILE HB A 53 ASN H 1.0 . 5.0 562 562 A 52 ILE HG21 A 53 ASN H 1.0 . 5.0 563 563 A 52 ILE H A 77 PHE HA 1.0 . 5.0 564 564 A 52 ILE HG21 A 78 ARG HDx 1.0 . 5.0 565 565 A 52 ILE HB A 78 ARG HGx 1.0 . 5.0 566 566 A 52 ILE HA A 78 ARG HGx 1.0 . 5.7 567 567 A 78 ARG H A 52 ILE HD1% 1.0 . 5.0 568 568 A 77 PHE H A 52 ILE HD1% 1.0 . 5.0 569 569 A 52 ILE H A 53 ASN H 1.0 . 5.0 570 570 A 52 ILE H A 78 ARG H 1.0 . 5.0 571 571 A 52 ILE H A 78 ARG HBy 1.0 . 5.0 572 572 A 52 ILE H A 79 LEU HA 1.0 . 5.0 573 573 A 52 ILE HG21 A 78 ARG H 1.0 . 5.1 574 574 A 78 ARG H A 52 ILE HD1% 1.0 . 5.0 575 575 A 77 PHE HA A 52 ILE HD1% 1.0 . 5.0 576 576 A 52 ILE HG21 A 78 ARG HGy 1.0 . 5.2 577 577 A 53 ASN HA A 54 ASP H 1.0 . 5.0 578 578 A 53 ASN HBy A 54 ASP H 1.0 . 5.0 579 579 A 53 ASN HBx A 78 ARG H 1.0 . 5.9 580 580 A 53 ASN HBx A 77 PHE H 1.0 . 6.3 581 581 A 53 ASN HA A 78 ARG H 1.0 . 5.0 582 582 A 53 ASN H A 77 PHE HA 1.0 . 5.0 583 583 A 53 ASN HA A 77 PHE HA 1.0 . 5.0 584 584 A 53 ASN HBx A 77 PHE HA 1.0 . 5.0 585 585 A 53 ASN HA A 77 PHE HBx 1.0 . 5.0 586 586 A 53 ASN HA A 76 HIS H 1.0 . 6.2 587 587 A 53 ASN HBx A 105 GLU H 1.0 . 5.8 588 588 A 53 ASN HA A 77 PHE H 1.0 . 5.0 589 589 A 53 ASN HA A 76 HIS HA 1.0 . 5.7 590 590 A 53 ASN H A 54 ASP H 1.0 . 5.0 591 591 A 53 ASN HA A 76 HIS HBy 1.0 . 5.9 592 592 A 53 ASN HA A 77 PHE H 1.0 . 5.0 593 593 A 53 ASN HA A 77 PHE HA 1.0 . 5.0 594 594 A 53 ASN HA A 77 PHE HBy 1.0 . 5.0 595 595 A 53 ASN HBy A 104 ASP HBy 1.0 . 5.0 596 596 A 53 ASN H A 78 ARG H 1.0 . 5.2 597 597 A 53 ASN HA A 77 PHE H 1.0 . 5.0 598 598 A 54 ASP HA A 55 SER H 1.0 . 5.0 599 599 A 54 ASP HBx A 55 SER H 1.0 . 5.0 600 600 A 54 ASP HBy A 55 SER H 1.0 . 5.0 601 601 A 54 ASP H A 55 SER H 1.0 . 5.0 602 602 A 54 ASP H A 77 PHE HA 1.0 . 5.0 603 603 A 54 ASP H A 108 ALA HB% 1.0 . 5.6 604 604 A 54 ASP HBx A 108 ALA HB% 1.0 . 5.9 605 605 A 54 ASP HBx A 76 HIS HD1 1.0 . 5.2 606 606 A 54 ASP H A 77 PHE HA 1.0 . 5.0 607 607 A 54 ASP HBy A 76 HIS HBy 1.0 . 5.0 608 608 A 54 ASP H A 55 SER H 1.0 . 5.0 609 609 A 54 ASP H A 76 HIS HA 1.0 . 5.0 610 610 A 54 ASP H A 76 HIS HBy 1.0 . 5.0 611 611 A 54 ASP H A 76 HIS HD2 1.0 . 5.5 612 612 A 54 ASP HBy A 77 PHE H 1.0 . 6.0 613 613 A 54 ASP H A 77 PHE H 1.0 . 5.0 614 614 A 55 SER H A 77 PHE HA 1.0 . 5.8 615 615 A 55 SER HA A 56 HIS H 1.0 . 5.0 616 616 A 55 SER HBx A 56 HIS H 1.0 . 5.0 617 617 A 55 SER HBy A 56 HIS H 1.0 . 5.0 618 618 A 55 SER HBx A 107 LYS HGx 1.0 . 5.3 619 619 A 55 SER HG A 108 ALA HB% 1.0 . 5.0 620 620 A 55 SER H A 56 HIS H 1.0 . 5.0 621 621 A 55 SER H A 105 GLU HA 1.0 . 5.8 622 622 A 55 SER HA A 105 GLU HA 1.0 . 5.3 623 623 A 55 SER HA A 107 LYS HBy 1.0 . 5.7 624 624 A 55 SER HA A 108 ALA HA 1.0 . 5.1 625 625 A 55 SER HA A 108 ALA HB% 1.0 . 5.0 626 626 A 55 SER HBy A 56 HIS HA 1.0 . 5.2 627 627 A 55 SER HA A 56 HIS HBy 1.0 . 5.0 628 628 A 55 SER HBy A 107 LYS HBy 1.0 . 5.8 629 629 A 55 SER HG A 56 HIS HA 1.0 . 5.0 630 630 A 55 SER HG A 107 LYS HDx 1.0 . 5.0 631 631 A 55 SER HG A 108 ALA HB% 1.0 . 5.4 632 632 A 56 HIS HA A 57 LYS H 1.0 . 5.0 633 633 A 56 HIS HBx A 57 LYS H 1.0 . 5.0 634 634 A 56 HIS H A 57 LYS H 1.0 . 5.0 635 635 A 56 HIS H A 57 LYS HA 1.0 . 5.0 636 636 A 56 HIS H A 108 ALA HA 1.0 . 5.0 637 637 A 56 HIS H A 108 ALA HB% 1.0 . 5.0 638 638 A 56 HIS HA A 57 LYS H 1.0 . 5.0 639 639 A 56 HIS HA A 57 LYS HGy 1.0 . 5.0 640 640 A 56 HIS HA A 108 ALA HB% 1.0 . 5.3 641 641 A 57 LYS H A 56 HIS HBy 1.0 . 5.0 642 642 A 108 ALA HA A 56 HIS HBy 1.0 . 5.0 643 643 A 56 HIS HA A 57 LYS HGy 1.0 . 5.0 644 644 A 57 LYS HA A 58 HIS H 1.0 . 5.0 645 645 A 57 LYS HGx A 58 HIS H 1.0 . 5.0 646 646 A 57 LYS HGy A 58 HIS H 1.0 . 5.0 647 647 A 57 LYS H A 58 HIS H 1.0 . 5.0 648 648 A 58 HIS H A 57 LYS HDx 1.0 . 5.0 649 649 A 57 LYS HBx A 58 HIS H 1.0 . 5.0 650 650 A 58 HIS H A 57 LYS HBy 1.0 . 5.0 651 651 A 58 HIS HA A 57 LYS HBy 1.0 . 5.0 652 652 A 58 HIS HA A 59 ALA H 1.0 . 5.0 653 653 A 58 HIS HBx A 59 ALA H 1.0 . 5.0 654 654 A 58 HIS H A 59 ALA H 1.0 . 5.0 655 655 A 58 HIS HA A 59 ALA HB% 1.0 . 5.0 656 656 A 59 ALA HB% A 58 HIS HBy 1.0 . 5.0 657 657 A 59 ALA HB% A 58 HIS HBy 1.0 . 5.0 658 658 A 59 ALA HA A 60 GLY H 1.0 . 5.0 659 659 A 59 ALA HB% A 60 GLY H 1.0 . 5.0 660 660 A 59 ALA HB% A 62 TYR H 1.0 . 5.0 661 661 A 59 ALA H A 60 GLY H 1.0 . 5.0 662 662 A 59 ALA HB% A 60 GLY HAx 1.0 . 5.0 663 663 A 60 GLY HAx A 61 HIS H 1.0 . 5.0 664 664 A 61 HIS H A 60 GLY HAy 1.0 . 5.0 665 665 A 62 TYR H A 60 GLY HAy 1.0 . 5.0 666 666 A 60 GLY H A 61 HIS HA 1.0 . 5.0 667 667 A 60 GLY HAx A 61 HIS HBy 1.0 . 5.1 668 668 A 61 HIS HA A 62 TYR H 1.0 . 5.0 669 669 A 61 HIS HBx A 62 TYR H 1.0 . 5.0 670 670 A 62 TYR H A 61 HIS HBy 1.0 . 5.0 671 671 A 61 HIS H A 62 TYR H 1.0 . 5.0 672 672 A 61 HIS H A 62 TYR HA 1.0 . 5.2 673 673 A 61 HIS HA A 62 TYR HA 1.0 . 5.0 674 674 A 62 TYR HA A 63 ALA H 1.0 . 5.0 675 675 A 62 TYR HBy A 63 ALA H 1.0 . 5.0 676 676 A 62 TYR HBx A 63 ALA H 1.0 . 5.0 677 677 A 62 TYR H A 63 ALA HB% 1.0 . 5.0 678 678 A 62 TYR H A 63 ALA H 1.0 . 5.0 679 679 A 62 TYR HA A 63 ALA HB% 1.0 . 5.0 680 680 A 62 TYR HBx A 63 ALA HA 1.0 . 5.2 681 681 A 63 ALA HA A 64 ARG H 1.0 . 5.0 682 682 A 63 ALA HB% A 64 ARG H 1.0 . 5.0 683 683 A 63 ALA HB% A 65 ASP H 1.0 . 5.2 684 684 A 63 ALA H A 64 ARG H 1.0 . 5.0 685 685 A 63 ALA HB% A 64 ARG HA 1.0 . 5.0 686 686 A 63 ALA HA A 64 ARG HBy 1.0 . 5.2 687 687 A 63 ALA HB% A 65 ASP H 1.0 . 5.2 688 688 A 64 ARG HA A 65 ASP H 1.0 . 5.0 689 689 A 64 ARG HBx A 65 ASP H 1.0 . 5.0 690 690 A 64 ARG HGx A 65 ASP H 1.0 . 5.0 691 691 A 64 ARG HBy A 65 ASP H 1.0 . 5.0 692 692 A 64 ARG HA A 66 GLY H 1.0 . 5.2 693 693 A 64 ARG H A 65 ASP H 1.0 . 5.0 694 694 A 64 ARG HBy A 65 ASP HBx 1.0 . 5.2 695 695 A 64 ARG HA A 65 ASP HBx 1.0 . 5.2 696 696 A 65 ASP H A 64 ARG HDx 1.0 . 5.0 697 697 A 65 ASP HA A 66 GLY H 1.0 . 5.0 698 698 A 65 ASP HBy A 66 GLY H 1.0 . 5.0 699 699 A 65 ASP HBx A 66 GLY H 1.0 . 5.0 700 700 A 65 ASP H A 66 GLY H 1.0 . 5.0 701 701 A 65 ASP H A 66 GLY HAy 1.0 . 5.1 702 702 A 65 ASP H A 67 SER HBx 1.0 . 5.0 703 703 A 65 ASP HA A 66 GLY HAx 1.0 . 5.0 704 704 A 66 GLY HAy A 67 SER H 1.0 . 5.0 705 705 A 67 SER H A 66 GLY HAx 1.0 . 5.0 706 706 A 66 GLY H A 67 SER H 1.0 . 5.0 707 707 A 66 GLY HAy A 67 SER HBx 1.0 . 5.0 708 708 A 67 SER HA A 68 THR H 1.0 . 5.0 709 709 A 67 SER HBy A 68 THR H 1.0 . 5.0 710 710 A 67 SER HBx A 68 THR H 1.0 . 5.0 711 711 A 67 SER HBy A 69 ALA H 1.0 . 5.0 712 712 A 67 SER HBx A 69 ALA H 1.0 . 5.2 713 713 A 67 SER H A 68 THR H 1.0 . 5.0 714 714 A 67 SER H A 68 THR HA 1.0 . 5.0 715 715 A 67 SER HA A 68 THR HG2% 1.0 . 5.4 716 716 A 67 SER HA A 69 ALA H 1.0 . 5.2 717 717 A 68 THR H A 67 SER HG 1.0 . 5.0 718 718 A 69 ALA HB% A 67 SER HG 1.0 . 5.0 719 719 A 68 THR HA A 69 ALA H 1.0 . 5.0 720 720 A 68 THR HB A 69 ALA H 1.0 . 5.0 721 721 A 68 THR HG2% A 69 ALA H 1.0 . 5.0 722 722 A 68 THR HG2% A 70 SER H 1.0 . 5.0 723 723 A 68 THR H A 69 ALA HB% 1.0 . 5.0 724 724 A 68 THR H A 69 ALA H 1.0 . 5.0 725 725 A 68 THR H A 69 ALA HB% 1.0 . 5.0 726 726 A 68 THR HA A 69 ALA HB% 1.0 . 5.0 727 727 A 68 THR HG2% A 69 ALA HB% 1.0 . 5.0 728 728 A 68 THR H A 69 ALA HB% 1.0 . 5.0 729 729 A 68 THR HA A 69 ALA HB% 1.0 . 5.0 730 730 A 68 THR HG2% A 69 ALA HB% 1.0 . 5.0 731 731 A 69 ALA HB% A 70 SER H 1.0 . 5.0 732 732 A 69 ALA H A 70 SER H 1.0 . 5.0 733 733 A 69 ALA HA A 70 SER HBy 1.0 . 5.0 734 734 A 70 SER HA A 71 ASP H 1.0 . 5.0 735 735 A 71 ASP H A 70 SER HBx 1.0 . 5.0 736 736 A 70 SER H A 71 ASP HBy 1.0 . 5.0 737 737 A 70 SER H A 71 ASP H 1.0 . 5.0 738 738 A 70 SER H A 71 ASP HBx 1.0 . 5.2 739 739 A 71 ASP HA A 70 SER HBy 1.0 . 5.0 740 740 A 72 ALA H A 70 SER HG 1.0 . 5.4 741 741 A 72 ALA HB% A 70 SER HG 1.0 . 5.0 742 742 A 71 ASP HA A 70 SER HBy 1.0 . 5.0 743 743 A 71 ASP HA A 72 ALA H 1.0 . 5.0 744 744 A 72 ALA H A 71 ASP HBx 1.0 . 5.0 745 745 A 71 ASP H A 72 ALA H 1.0 . 5.0 746 746 A 71 ASP H A 72 ALA HB% 1.0 . 5.0 747 747 A 71 ASP HBy A 111 HIS H 1.0 . 5.0 748 748 A 71 ASP HA A 74 GLU HBy 1.0 . 5.0 749 749 A 71 ASP HA A 110 LEU HA 1.0 . 5.0 750 750 A 72 ALA HA A 71 ASP HBx 1.0 . 5.2 751 751 A 74 GLU H A 71 ASP HBx 1.0 . 5.2 752 752 A 72 ALA HA A 71 ASP HBx 1.0 . 5.2 753 753 A 71 ASP HBx A 110 LEU HDx% 1.0 . 5.0 754 754 A 72 ALA HA A 73 GLY H 1.0 . 5.0 755 755 A 72 ALA HB% A 73 GLY H 1.0 . 5.0 756 756 A 72 ALA HB% A 74 GLU H 1.0 . 5.0 757 757 A 72 ALA H A 74 GLU H 1.0 . 5.0 758 758 A 72 ALA H A 74 GLU HBy 1.0 . 5.0 759 759 A 72 ALA HB% A 73 GLY H 1.0 . 5.0 760 760 A 72 ALA HB% A 73 GLY HAx 1.0 . 5.0 761 761 A 73 GLY HAx A 74 GLU H 1.0 . 5.0 762 762 A 73 GLY H A 75 THR HG2% 1.0 . 5.0 763 763 A 73 GLY H A 74 GLU H 1.0 . 5.0 764 764 A 73 GLY H A 75 THR H 1.0 . 5.0 765 765 A 73 GLY HAx A 75 THR H 1.0 . 5.2 766 766 A 73 GLY HAx A 75 THR HG2% 1.0 . 5.0 767 767 A 74 GLU H A 73 GLY HAy 1.0 . 5.0 768 768 A 73 GLY HAx A 74 GLU HA 1.0 . 5.0 769 769 A 74 GLU HA A 75 THR H 1.0 . 5.0 770 770 A 74 GLU HBx A 75 THR H 1.0 . 5.0 771 771 A 74 GLU HBy A 75 THR H 1.0 . 5.0 772 772 A 74 GLU H A 75 THR H 1.0 . 5.0 773 773 A 74 GLU H A 75 THR HG2% 1.0 . 5.0 774 774 A 74 GLU HA A 75 THR HG2% 1.0 . 5.0 775 775 A 74 GLU HBy A 110 LEU HBy 1.0 . 5.0 776 776 A 74 GLU HBy A 75 THR HA 1.0 . 5.0 777 777 A 75 THR HG1 A 74 GLU HGy 1.0 . 5.0 778 778 A 75 THR HA A 76 HIS H 1.0 . 5.0 779 779 A 75 THR HG2% A 76 HIS H 1.0 . 5.0 780 780 A 75 THR HG1 A 76 HIS H 1.0 . 5.0 781 781 A 75 THR HG1 A 77 PHE H 1.0 . 5.2 782 782 A 75 THR H A 111 HIS HA 1.0 . 6.0 783 783 A 75 THR H A 111 HIS HBx 1.0 . 5.7 784 784 A 75 THR HG2% A 111 HIS H 1.0 . 5.0 785 785 A 75 THR HB A 111 HIS HA 1.0 . 5.2 786 786 A 75 THR HG2% A 111 HIS HBx 1.0 . 5.0 787 787 A 75 THR HG2% A 111 HIS H 1.0 . 5.0 788 788 A 75 THR HA A 110 LEU HBx 1.0 . 5.0 789 789 A 75 THR H A 111 HIS H 1.0 . 5.0 790 790 A 75 THR H A 111 HIS HBy 1.0 . 5.8 791 791 A 75 THR HA A 110 LEU HBy 1.0 . 5.0 792 792 A 75 THR HA A 111 HIS H 1.0 . 5.0 793 793 A 75 THR HA A 111 HIS HBy 1.0 . 5.0 794 794 A 75 THR HA A 112 ALA HA 1.0 . 5.0 795 795 A 75 THR HB A 76 HIS HA 1.0 . 5.0 796 796 A 75 THR HB A 111 HIS HBy 1.0 . 5.0 797 797 A 76 HIS HBy A 110 LEU H 1.0 . 6.0 798 798 A 76 HIS HBx A 110 LEU HD21 1.0 . 5.0 799 799 A 76 HIS HD2 A 108 ALA HB% 1.0 . 5.0 800 800 A 76 HIS H A 77 PHE H 1.0 . 5.0 801 801 A 76 HIS H A 105 GLU HGy 1.0 . 5.9 802 802 A 76 HIS H A 112 ALA HA 1.0 . 5.0 803 803 A 76 HIS HA A 112 ALA HA 1.0 . 5.9 804 804 A 76 HIS H A 112 ALA HB% 1.0 . 5.0 805 805 A 76 HIS HA A 77 PHE H 1.0 . 5.0 806 806 A 76 HIS HA A 77 PHE H 1.0 . 5.0 807 807 A 76 HIS HBy A 77 PHE H 1.0 . 5.0 808 808 A 76 HIS HBy A 110 LEU HG 1.0 . 5.0 809 809 A 77 PHE H A 112 ALA HA 1.0 . 5.0 810 810 A 77 PHE HA A 78 ARG H 1.0 . 5.0 811 811 A 77 PHE HBy A 78 ARG H 1.0 . 5.0 812 812 A 77 PHE H A 113 LEU H 1.0 . 5.0 813 813 A 77 PHE H A 112 ALA HB% 1.0 . 5.0 814 814 A 77 PHE H A 112 ALA H 1.0 . 5.9 815 815 A 77 PHE HA A 112 ALA HA 1.0 . 5.8 816 816 A 77 PHE HA A 112 ALA HB% 1.0 . 5.0 817 817 A 77 PHE HBx A 105 GLU HBx 1.0 . 5.0 818 818 A 77 PHE HBx A 105 GLU H 1.0 . 5.0 819 819 A 77 PHE HBx A 105 GLU HA 1.0 . 5.0 820 820 A 77 PHE H A 78 ARG H 1.0 . 5.0 821 821 A 77 PHE H A 105 GLU HA 1.0 . 5.0 822 822 A 77 PHE H A 105 GLU HBy 1.0 . 5.7 823 823 A 77 PHE H A 105 GLU HGy 1.0 . 5.9 824 824 A 77 PHE H A 110 LEU HD21 1.0 . 5.3 825 825 A 77 PHE H A 112 ALA HB% 1.0 . 5.0 826 826 A 77 PHE HA A 78 ARG HBy 1.0 . 5.0 827 827 A 77 PHE HBy A 105 GLU HGy 1.0 . 5.0 828 828 A 77 PHE HBy A 112 ALA HB% 1.0 . 5.0 829 829 A 78 ARG HA A 113 LEU H 1.0 . 5.0 830 830 A 78 ARG HA A 79 LEU H 1.0 . 5.0 831 831 A 78 ARG HBx A 79 LEU H 1.0 . 5.0 832 832 A 78 ARG HGx A 79 LEU H 1.0 . 5.0 833 833 A 78 ARG HA A 114 SER HA 1.0 . 5.0 834 834 A 78 ARG HBx A 113 LEU H 1.0 . 5.0 835 835 A 78 ARG HA A 113 LEU HBy 1.0 . 5.2 836 836 A 78 ARG HBx A 113 LEU HDx% 1.0 . 5.0 837 837 A 78 ARG HBx A 113 LEU HA 1.0 . 5.4 838 838 A 78 ARG HBx A 113 LEU HDx% 1.0 . 5.0 839 839 A 78 ARG HGx A 113 LEU HG 1.0 . 5.2 840 840 A 78 ARG HBx A 113 LEU HG 1.0 . 5.0 841 841 A 78 ARG H A 112 ALA HB% 1.0 . 5.2 842 842 A 78 ARG HA A 79 LEU HBy 1.0 . 5.2 843 843 A 78 ARG HA A 101 LEU HD11 1.0 . 5.4 844 844 A 78 ARG HA A 112 ALA HB% 1.0 . 5.0 845 845 A 78 ARG HA A 113 LEU HG 1.0 . 5.0 846 846 A 78 ARG HA A 113 LEU HDx% 1.0 . 5.0 847 847 A 113 LEU HDx% A 78 ARG HE 1.0 . 5.0 848 848 A 78 ARG HE A 115 MET HGy 1.0 . 5.7 849 849 A 79 LEU H A 114 SER HA 1.0 . 5.0 850 850 A 79 LEU HA A 80 GLU H 1.0 . 5.0 851 851 A 79 LEU H A 115 MET H 1.0 . 5.0 852 852 A 79 LEU HBx A 80 GLU H 1.0 . 5.0 853 853 A 79 LEU HG A 80 GLU H 1.0 . 5.0 854 854 A 79 LEU HDx% A 80 GLU H 1.0 . 5.0 855 855 A 79 LEU H A 114 SER HBx 1.0 . 5.0 856 856 A 79 LEU H A 113 LEU HA 1.0 . 5.5 857 857 A 79 LEU HA A 114 SER HBx 1.0 . 5.9 858 858 A 79 LEU HBx A 102 LEU H 1.0 . 6.0 859 859 A 79 LEU HG A 114 SER HBx 1.0 . 5.6 860 860 A 79 LEU HDx% A 101 LEU HD11 1.0 . 5.2 861 861 A 79 LEU H A 80 GLU H 1.0 . 5.0 862 862 A 79 LEU H A 101 LEU HBy 1.0 . 6.5 863 863 A 79 LEU H A 101 LEU HD11 1.0 . 5.0 864 864 A 79 LEU H A 113 LEU H 1.0 . 5.0 865 865 A 79 LEU H A 114 SER H 1.0 . 5.0 866 866 A 79 LEU H A 114 SER HBy 1.0 . 5.0 867 867 A 79 LEU HA A 114 SER HA 1.0 . 5.0 868 868 A 79 LEU HA A 101 LEU HD11 1.0 . 5.9 869 869 A 101 LEU HA A 79 LEU HBy 1.0 . 5.0 870 870 A 114 SER HA A 79 LEU HBy 1.0 . 5.0 871 871 A 115 MET H A 79 LEU HBy 1.0 . 5.0 872 872 A 79 LEU HG A 100 GLY HAx 1.0 . 5.9 873 873 A 79 LEU HG A 101 LEU H 1.0 . 5.3 874 874 A 79 LEU HDx% A 114 SER HA 1.0 . 5.1 875 875 A 80 GLU HA A 115 MET H 1.0 . 5.0 876 876 A 80 GLU HA A 81 VAL H 1.0 . 5.0 877 877 A 80 GLU HBy A 81 VAL H 1.0 . 5.0 878 878 A 80 GLU HA A 116 THR HA 1.0 . 5.0 879 879 A 80 GLU HA A 115 MET HGy 1.0 . 5.0 880 880 A 115 MET HBy A 80 GLU HGx 1.0 . 5.4 881 881 A 80 GLU HA A 115 MET HBy 1.0 . 5.0 882 882 A 80 GLU HGx A 115 MET HE% 1.0 . 5.2 883 883 A 115 MET HBy A 80 GLU HGx 1.0 . 5.4 884 884 A 115 MET HGy A 80 GLU HGx 1.0 . 5.2 885 885 A 80 GLU HBx A 115 MET HGy 1.0 . 5.0 886 886 A 80 GLU H A 81 VAL H 1.0 . 5.0 887 887 A 80 GLU H A 81 VAL HGx% 1.0 . 5.0 888 888 A 80 GLU HA A 81 VAL HGx% 1.0 . 5.0 889 889 A 80 GLU HA A 115 MET HGy 1.0 . 5.0 890 890 A 80 GLU HBy A 115 MET HBx 1.0 . 5.9 891 891 A 80 GLU HBy A 115 MET HGy 1.0 . 5.0 892 892 A 81 VAL H A 116 THR HA 1.0 . 5.0 893 893 A 81 VAL HA A 82 THR H 1.0 . 5.0 894 894 A 81 VAL HB A 82 THR H 1.0 . 5.0 895 895 A 81 VAL HGx% A 82 THR H 1.0 . 5.0 896 896 A 81 VAL HGy% A 82 THR H 1.0 . 5.0 897 897 A 81 VAL H A 117 THR H 1.0 . 5.0 898 898 A 81 VAL HGy% A 98 ILE HG2% 1.0 . 5.0 899 899 A 81 VAL HGx% A 95 HIS H 1.0 . 5.3 900 900 A 81 VAL HGx% A 95 HIS H 1.0 . 5.3 901 901 A 81 VAL HA A 116 THR HB 1.0 . 5.9 902 902 A 81 VAL H A 116 THR HB 1.0 . 5.0 903 903 A 81 VAL HGy% A 116 THR H 1.0 . 5.1 904 904 A 81 VAL HB A 116 THR HG2% 1.0 . 5.9 905 905 A 81 VAL HGy% A 116 THR HG2% 1.0 . 5.0 906 906 A 81 VAL H A 117 THR HG2% 1.0 . 5.0 907 907 A 81 VAL H A 115 MET H 1.0 . 5.0 908 908 A 81 VAL H A 116 THR HB 1.0 . 5.0 909 909 A 81 VAL H A 116 THR HG2% 1.0 . 5.2 910 910 A 81 VAL HB A 116 THR HB 1.0 . 5.4 911 911 A 81 VAL HB A 98 ILE HD11 1.0 . 5.0 912 912 A 81 VAL HGx% A 116 THR HB 1.0 . 5.0 913 913 A 81 VAL HGx% A 117 THR H 1.0 . 5.2 914 914 A 82 THR HA A 117 THR H 1.0 . 5.0 915 915 A 82 THR HA A 83 SER H 1.0 . 5.0 916 916 A 82 THR HB A 83 SER H 1.0 . 5.0 917 917 A 82 THR HG2% A 83 SER H 1.0 . 5.0 918 918 A 82 THR HG2% A 117 THR H 1.0 . 5.0 919 919 A 82 THR HA A 118 LYS HA 1.0 . 5.0 920 920 A 82 THR H A 116 THR HA 1.0 . 5.8 921 921 A 82 THR HA A 117 THR HG2% 1.0 . 5.0 922 922 A 82 THR HA A 117 THR HB 1.0 . 5.0 923 923 A 82 THR HG2% A 84 ASP H 1.0 . 5.0 924 924 A 82 THR HB A 117 THR HG2% 1.0 . 5.0 925 925 A 82 THR HG2% A 117 THR HG2% 1.0 . 5.0 926 926 A 82 THR H A 83 SER H 1.0 . 5.0 927 927 A 82 THR HA A 116 THR HG1 1.0 . 6.1 928 928 A 82 THR HA A 117 THR HG2% 1.0 . 5.0 929 929 A 116 THR HA A 82 THR HG1 1.0 . 5.6 930 930 A 82 THR HG2% A 85 ALA HA 1.0 . 5.0 931 931 A 82 THR HA A 117 THR HG1 1.0 . 5.0 932 932 A 82 THR HG1 A 117 THR HG1 1.0 . 5.0 933 933 A 83 SER H A 118 LYS HA 1.0 . 5.0 934 934 A 83 SER HA A 84 ASP H 1.0 . 5.0 935 935 A 83 SER HBx A 84 ASP H 1.0 . 5.0 936 936 A 83 SER HBy A 84 ASP H 1.0 . 5.0 937 937 A 83 SER H A 118 LYS HBx 1.0 . 5.0 938 938 A 83 SER H A 118 LYS HBy 1.0 . 5.2 939 939 A 83 SER H A 117 THR H 1.0 . 5.0 940 940 A 118 LYS H A 83 SER HG 1.0 . 5.4 941 941 A 83 SER H A 118 LYS HBx 1.0 . 5.0 942 942 A 83 SER HA A 118 LYS HBx 1.0 . 5.2 943 943 A 83 SER HA A 118 LYS HGx 1.0 . 5.2 944 944 A 83 SER HBy A 85 ALA H 1.0 . 5.2 945 945 A 83 SER HG A 94 ARG HGx 1.0 . 5.2 946 946 A 97 LEU HD11 A 83 SER HG 1.0 . 6.0 947 947 A 83 SER H A 84 ASP H 1.0 . 5.0 948 948 A 83 SER H A 85 ALA H 1.0 . 5.0 949 949 A 83 SER H A 117 THR HG1 1.0 . 5.0 950 950 A 83 SER H A 118 LYS HA 1.0 . 5.0 951 951 A 83 SER HA A 85 ALA H 1.0 . 5.0 952 952 A 83 SER HBy A 94 ARG HDy 1.0 . 5.3 953 953 A 83 SER HBy A 118 LYS HA 1.0 . 5.0 954 954 A 83 SER HBy A 118 LYS HGy 1.0 . 5.0 955 955 A 83 SER HBy A 119 THR H 1.0 . 5.0 956 956 A 94 ARG HGy A 83 SER HG 1.0 . 5.2 957 957 A 118 LYS HA A 83 SER HG 1.0 . 5.0 958 958 A 83 SER HG A 118 LYS HGy 1.0 . 5.0 959 959 A 84 ASP HA A 85 ALA H 1.0 . 5.0 960 960 A 84 ASP HBy A 85 ALA H 1.0 . 5.0 961 961 A 84 ASP HBx A 85 ALA H 1.0 . 5.0 962 962 A 84 ASP H A 85 ALA H 1.0 . 5.0 963 963 A 84 ASP HBy A 86 PHE H 1.0 . 5.3 964 964 A 84 ASP H A 119 THR HG1 1.0 . 5.7 965 965 A 84 ASP H A 85 ALA HB% 1.0 . 5.0 966 966 A 84 ASP HA A 85 ALA HB% 1.0 . 5.0 967 967 A 84 ASP HBx A 119 THR H 1.0 . 5.0 968 968 A 84 ASP HBx A 119 THR HG1 1.0 . 5.0 969 969 A 85 ALA HA A 86 PHE H 1.0 . 5.0 970 970 A 85 ALA HB% A 86 PHE H 1.0 . 5.0 971 971 A 85 ALA H A 86 PHE H 1.0 . 5.0 972 972 A 85 ALA HA A 87 LYS H 1.0 . 5.0 973 973 A 85 ALA H A 86 PHE HA 1.0 . 5.7 974 974 A 85 ALA HA A 86 PHE H 1.0 . 5.0 975 975 A 85 ALA HB% A 87 LYS H 1.0 . 5.4 976 976 A 85 ALA H A 118 LYS HA 1.0 . 5.0 977 977 A 85 ALA H A 119 THR H 1.0 . 5.0 978 978 A 85 ALA HA A 117 THR HG2% 1.0 . 5.4 979 979 A 86 PHE HA A 87 LYS H 1.0 . 5.0 980 980 A 86 PHE HBx A 87 LYS H 1.0 . 5.0 981 981 A 86 PHE HBy A 87 LYS H 1.0 . 5.0 982 982 A 86 PHE H A 87 LYS H 1.0 . 5.0 983 983 A 86 PHE H A 87 LYS HBx 1.0 . 5.0 984 984 A 86 PHE H A 87 LYS HDx 1.0 . 6.2 985 985 A 86 PHE H A 87 LYS HA 1.0 . 5.0 986 986 A 86 PHE H A 117 THR HG1 1.0 . 5.0 987 987 A 86 PHE H A 119 THR HA 1.0 . 5.0 988 988 A 86 PHE H A 119 THR HG2% 1.0 . 5.0 989 989 A 86 PHE HBy A 119 THR HA 1.0 . 5.0 990 990 A 86 PHE HBy A 119 THR HG2% 1.0 . 5.0 991 991 A 87 LYS HA A 88 GLY H 1.0 . 5.0 992 992 A 87 LYS HBx A 88 GLY H 1.0 . 5.0 993 993 A 87 LYS HDx A 88 GLY H 1.0 . 5.2 994 994 A 87 LYS HA A 89 LEU H 1.0 . 5.0 995 995 A 87 LYS HGy A 91 LEU HD21 1.0 . 5.3 996 996 A 87 LYS H A 117 THR HG1 1.0 . 5.0 997 997 A 87 LYS H A 119 THR HA 1.0 . 5.3 998 998 A 87 LYS H A 119 THR HG2% 1.0 . 5.2 999 999 A 87 LYS HA A 117 THR HB 1.0 . 5.0 1000 1000 A 87 LYS HA A 118 LYS H 1.0 . 5.0 1001 1001 A 87 LYS HA A 119 THR HA 1.0 . 5.0 1002 1002 A 87 LYS HA A 119 THR HG2% 1.0 . 5.4 1003 1003 A 88 GLY HAx A 87 LYS HBy 1.0 . 5.2 1004 1004 A 117 THR HB A 87 LYS HBy 1.0 . 5.0 1005 1005 A 87 LYS HGy A 91 LEU HBy 1.0 . 5.0 1006 1006 A 88 GLY HAx A 89 LEU H 1.0 . 5.0 1007 1007 A 88 GLY HAy A 89 LEU H 1.0 . 5.0 1008 1008 A 88 GLY H A 89 LEU H 1.0 . 5.0 1009 1009 A 88 GLY H A 89 LEU HDx% 1.0 . 5.0 1010 1010 A 88 GLY H A 89 LEU HDx% 1.0 . 5.0 1011 1011 A 88 GLY H A 89 LEU HG 1.0 . 5.3 1012 1012 A 88 GLY H A 91 LEU HA 1.0 . 6.0 1013 1013 A 88 GLY H A 119 THR HA 1.0 . 5.0 1014 1014 A 89 LEU HA A 90 THR H 1.0 . 5.0 1015 1015 A 89 LEU HBx A 90 THR H 1.0 . 5.0 1016 1016 A 89 LEU HG A 90 THR H 1.0 . 5.0 1017 1017 A 89 LEU HDx% A 90 THR H 1.0 . 5.0 1018 1018 A 89 LEU H A 90 THR HG21 1.0 . 5.8 1019 1019 A 89 LEU H A 90 THR HG21 1.0 . 5.8 1020 1020 A 89 LEU H A 90 THR H 1.0 . 5.0 1021 1021 A 90 THR HG21 A 89 LEU HBy 1.0 . 5.2 1022 1022 A 89 LEU HDx% A 90 THR HG21 1.0 . 5.4 1023 1023 A 121 ALA H A 89 LEU HD21 1.0 . 5.0 1024 1024 A 90 THR HA A 91 LEU H 1.0 . 5.0 1025 1025 A 90 THR HA A 92 VAL H 1.0 . 5.0 1026 1026 A 91 LEU H A 90 THR HG21 1.0 . 5.0 1027 1027 A 90 THR H A 91 LEU H 1.0 . 5.0 1028 1028 A 90 THR HA A 91 LEU HD21 1.0 . 5.2 1029 1029 A 90 THR HA A 92 VAL HGy% 1.0 . 5.0 1030 1030 A 93 LYS H A 90 THR HG1 1.0 . 5.0 1031 1031 A 91 LEU HA A 92 VAL H 1.0 . 5.0 1032 1032 A 91 LEU HA A 93 LYS H 1.0 . 5.0 1033 1033 A 91 LEU HBx A 92 VAL H 1.0 . 5.0 1034 1034 A 91 LEU HG A 92 VAL H 1.0 . 5.0 1035 1035 A 91 LEU H A 92 VAL H 1.0 . 5.0 1036 1036 A 91 LEU HA A 94 ARG HBx 1.0 . 5.0 1037 1037 A 91 LEU HA A 94 ARG H 1.0 . 5.0 1038 1038 A 91 LEU HG A 95 HIS H 1.0 . 5.0 1039 1039 A 91 LEU HA A 94 ARG HBx 1.0 . 5.0 1040 1040 A 94 ARG H A 91 LEU HDx% 1.0 . 6.0 1041 1041 A 117 THR HB A 91 LEU HDx% 1.0 . 5.9 1042 1042 A 91 LEU HA A 94 ARG H 1.0 . 5.0 1043 1043 A 91 LEU HA A 94 ARG HGx 1.0 . 5.6 1044 1044 A 91 LEU H A 92 VAL HGy% 1.0 . 5.0 1045 1045 A 91 LEU H A 93 LYS H 1.0 . 5.0 1046 1046 A 91 LEU HA A 94 ARG H 1.0 . 5.0 1047 1047 A 91 LEU HG A 92 VAL HA 1.0 . 5.0 1048 1048 A 91 LEU HG A 92 VAL HGx% 1.0 . 5.0 1049 1049 A 92 VAL HA A 93 LYS H 1.0 . 3.5 1050 1050 A 92 VAL HA A 95 HIS H 1.0 . 5.0 1051 1051 A 92 VAL HA A 96 GLN H 1.0 . 5.0 1052 1052 A 92 VAL HB A 93 LYS H 1.0 . 5.0 1053 1053 A 92 VAL HGy% A 93 LYS H 1.0 . 5.0 1054 1054 A 92 VAL H A 93 LYS H 1.0 . 2.8 1055 1055 A 92 VAL HA A 95 HIS HBx 1.0 . 5.0 1056 1056 A 92 VAL H A 116 THR HG2% 1.0 . 5.2 1057 1057 A 92 VAL HGy% A 95 HIS H 1.0 . 5.2 1058 1058 A 92 VAL HB A 96 GLN H 1.0 . 5.0 1059 1059 A 92 VAL HGy% A 96 GLN H 1.0 . 5.0 1060 1060 A 92 VAL HA A 94 ARG H 1.0 . 5.0 1061 1061 A 93 LYS HA A 94 ARG H 1.0 . 3.5 1062 1062 A 93 LYS HA A 96 GLN H 1.0 . 5.0 1063 1063 A 93 LYS HBx A 94 ARG H 1.0 . 5.0 1064 1064 A 93 LYS HGx A 94 ARG H 1.0 . 5.0 1065 1065 A 93 LYS H A 94 ARG H 1.0 . 2.8 1066 1066 A 93 LYS HA A 96 GLN HBx 1.0 . 5.0 1067 1067 A 93 LYS HA A 96 GLN HGy 1.0 . 5.6 1068 1068 A 93 LYS HGx A 96 GLN H 1.0 . 5.2 1069 1069 A 93 LYS HA A 96 GLN HGx 1.0 . 5.0 1070 1070 A 93 LYS HGx A 96 GLN HGx 1.0 . 5.4 1071 1071 A 118 LYS HBy A 93 LYS HDy 1.0 . 5.9 1072 1072 A 93 LYS H A 95 HIS H 1.0 . 5.0 1073 1073 A 97 LEU HD11 A 93 LYS HBy 1.0 . 5.0 1074 1074 A 94 ARG HA A 93 LYS HDx 1.0 . 5.0 1075 1075 A 94 ARG H A 93 LYS HDx 1.0 . 5.0 1076 1076 A 93 LYS HDx A 97 LEU HG 1.0 . 5.1 1077 1077 A 94 ARG HA A 95 HIS H 1.0 . 3.5 1078 1078 A 94 ARG HA A 97 LEU H 1.0 . 5.0 1079 1079 A 94 ARG HBx A 95 HIS H 1.0 . 5.0 1080 1080 A 94 ARG HGy A 95 HIS H 1.0 . 5.0 1081 1081 A 94 ARG H A 95 HIS H 1.0 . 2.8 1082 1082 A 94 ARG HA A 97 LEU HBx 1.0 . 5.0 1083 1083 A 94 ARG HA A 97 LEU HG 1.0 . 5.0 1084 1084 A 94 ARG HBx A 116 THR H 1.0 . 5.9 1085 1085 A 94 ARG HA A 97 LEU HG 1.0 . 5.0 1086 1086 A 94 ARG HA A 97 LEU HG 1.0 . 5.0 1087 1087 A 94 ARG HA A 97 LEU HD11 1.0 . 5.0 1088 1088 A 94 ARG HA A 98 ILE HG2% 1.0 . 5.0 1089 1089 A 95 HIS HA A 94 ARG HBy 1.0 . 5.0 1090 1090 A 95 HIS HA A 96 GLN H 1.0 . 3.5 1091 1091 A 95 HIS HA A 98 ILE H 1.0 . 5.0 1092 1092 A 95 HIS HBx A 96 GLN H 1.0 . 5.0 1093 1093 A 95 HIS H A 96 GLN H 1.0 . 2.8 1094 1094 A 95 HIS HA A 98 ILE HB 1.0 . 5.5 1095 1095 A 95 HIS HA A 98 ILE HG2% 1.0 . 5.0 1096 1096 A 95 HIS HA A 99 TYR H 1.0 . 5.0 1097 1097 A 96 GLN HA A 97 LEU H 1.0 . 3.5 1098 1098 A 96 GLN HA A 99 TYR H 1.0 . 5.0 1099 1099 A 96 GLN HBx A 97 LEU H 1.0 . 5.0 1100 1100 A 96 GLN HBy A 97 LEU H 1.0 . 5.0 1101 1101 A 96 GLN HGx A 97 LEU H 1.0 . 5.0 1102 1102 A 96 GLN HGy A 97 LEU H 1.0 . 5.0 1103 1103 A 96 GLN HGy A 99 TYR H 1.0 . 5.4 1104 1104 A 96 GLN H A 97 LEU H 1.0 . 2.8 1105 1105 A 96 GLN HA A 99 TYR HA 1.0 . 5.0 1106 1106 A 96 GLN HBy A 97 LEU HA 1.0 . 5.0 1107 1107 A 96 GLN HGx A 99 TYR HBy 1.0 . 5.8 1108 1108 A 97 LEU HA A 98 ILE H 1.0 . 5.0 1109 1109 A 97 LEU HBx A 98 ILE H 1.0 . 5.0 1110 1110 A 97 LEU H A 98 ILE H 1.0 . 5.0 1111 1111 A 97 LEU H A 99 TYR H 1.0 . 5.0 1112 1112 A 98 ILE H A 97 LEU HD11 1.0 . 5.0 1113 1113 A 98 ILE HA A 99 TYR H 1.0 . 5.0 1114 1114 A 98 ILE HB A 99 TYR H 1.0 . 5.0 1115 1115 A 98 ILE HG2% A 99 TYR H 1.0 . 5.0 1116 1116 A 98 ILE H A 99 TYR H 1.0 . 5.0 1117 1117 A 98 ILE HA A 100 GLY H 1.0 . 5.0 1118 1118 A 98 ILE HG2% A 100 GLY H 1.0 . 5.0 1119 1119 A 99 TYR HA A 100 GLY H 1.0 . 5.0 1120 1120 A 99 TYR HBx A 100 GLY H 1.0 . 5.0 1121 1121 A 99 TYR HBy A 100 GLY H 1.0 . 5.0 1122 1122 A 99 TYR H A 100 GLY H 1.0 . 5.0 1123 1123 A 100 GLY HAx A 101 LEU H 1.0 . 5.0 1124 1124 A 101 LEU H A 100 GLY HAy 1.0 . 5.0 1125 1125 A 104 ASP HBx A 105 GLU H 1.0 . 5.0 1126 1126 A 104 ASP H A 105 GLU H 1.0 . 2.8 1127 1127 A 104 ASP HA A 107 LYS HBx 1.0 . 5.0 1128 1128 A 104 ASP HA A 107 LYS HGx 1.0 . 5.4 1129 1129 A 104 ASP HA A 107 LYS HBy 1.0 . 5.0 1130 1130 A 104 ASP HA A 107 LYS HDy 1.0 . 5.0 1131 1131 A 105 GLU HA A 106 PHE H 1.0 . 3.5 1132 1132 A 105 GLU H A 106 PHE H 1.0 . 3.0 1133 1133 A 105 GLU HA A 108 ALA H 1.0 . 5.0 1134 1134 A 105 GLU HA A 108 ALA HB% 1.0 . 5.0 1135 1135 A 105 GLU HBx A 106 PHE H 1.0 . 5.0 1136 1136 A 105 GLU HBy A 106 PHE H 1.0 . 5.0 1137 1137 A 106 PHE H A 105 GLU HGx 1.0 . 5.0 1138 1138 A 105 GLU H A 110 LEU HD21 1.0 . 6.0 1139 1139 A 105 GLU HA A 108 ALA HB% 1.0 . 5.0 1140 1140 A 105 GLU H A 106 PHE H 1.0 . 5.0 1141 1141 A 105 GLU HA A 110 LEU HD21 1.0 . 5.0 1142 1142 A 105 GLU HBy A 112 ALA HB% 1.0 . 5.0 1143 1143 A 105 GLU HGy A 106 PHE HBy 1.0 . 5.9 1144 1144 A 110 LEU HD21 A 105 GLU HGy 1.0 . 5.3 1145 1145 A 106 PHE HA A 107 LYS H 1.0 . 3.5 1146 1146 A 106 PHE HA A 109 GLY H 1.0 . 5.0 1147 1147 A 106 PHE HBx A 107 LYS H 1.0 . 5.0 1148 1148 A 106 PHE H A 107 LYS H 1.0 . 2.8 1149 1149 A 106 PHE H A 110 LEU HD21 1.0 . 5.9 1150 1150 A 106 PHE H A 107 LYS H 1.0 . 5.0 1151 1151 A 107 LYS HA A 108 ALA H 1.0 . 5.0 1152 1152 A 107 LYS HBx A 108 ALA H 1.0 . 5.0 1153 1153 A 107 LYS HGx A 108 ALA H 1.0 . 5.0 1154 1154 A 107 LYS H A 108 ALA H 1.0 . 5.0 1155 1155 A 108 ALA HB% A 107 LYS HBy 1.0 . 5.8 1156 1156 A 108 ALA HA A 107 LYS HGy 1.0 . 5.0 1157 1157 A 108 ALA HA A 109 GLY H 1.0 . 5.0 1158 1158 A 108 ALA HB% A 109 GLY H 1.0 . 5.0 1159 1159 A 108 ALA H A 109 GLY H 1.0 . 5.2 1160 1160 A 108 ALA HB% A 110 LEU H 1.0 . 5.0 1161 1161 A 109 GLY HAx A 110 LEU H 1.0 . 5.0 1162 1162 A 109 GLY H A 110 LEU H 1.0 . 5.0 1163 1163 A 109 GLY HAx A 110 LEU HA 1.0 . 5.0 1164 1164 A 110 LEU HA A 111 HIS H 1.0 . 5.0 1165 1165 A 111 HIS H A 110 LEU HDx% 1.0 . 5.0 1166 1166 A 110 LEU HA A 111 HIS HA 1.0 . 5.0 1167 1167 A 110 LEU HBy A 111 HIS H 1.0 . 5.0 1168 1168 A 111 HIS HA A 112 ALA H 1.0 . 5.0 1169 1169 A 111 HIS HBx A 112 ALA H 1.0 . 5.0 1170 1170 A 111 HIS H A 112 ALA H 1.0 . 5.0 1171 1171 A 111 HIS H A 112 ALA HB% 1.0 . 5.7 1172 1172 A 111 HIS HA A 112 ALA HB% 1.0 . 5.0 1173 1173 A 112 ALA H A 111 HIS HBy 1.0 . 5.0 1174 1174 A 112 ALA HA A 111 HIS HBy 1.0 . 5.0 1175 1175 A 112 ALA HA A 113 LEU H 1.0 . 5.0 1176 1176 A 112 ALA HB% A 113 LEU H 1.0 . 5.0 1177 1177 A 112 ALA H A 113 LEU H 1.0 . 5.0 1178 1178 A 112 ALA HA A 113 LEU HG 1.0 . 5.0 1179 1179 A 113 LEU HA A 114 SER H 1.0 . 5.0 1180 1180 A 113 LEU HBy A 114 SER H 1.0 . 5.0 1181 1181 A 113 LEU HBx A 114 SER H 1.0 . 5.0 1182 1182 A 113 LEU HA A 114 SER HBy 1.0 . 5.0 1183 1183 A 114 SER HA A 115 MET H 1.0 . 5.0 1184 1184 A 114 SER HBx A 115 MET H 1.0 . 5.0 1185 1185 A 114 SER HBy A 115 MET H 1.0 . 5.0 1186 1186 A 114 SER H A 115 MET H 1.0 . 5.0 1187 1187 A 115 MET HA A 116 THR H 1.0 . 5.0 1188 1188 A 115 MET HBy A 116 THR H 1.0 . 5.0 1189 1189 A 115 MET HA A 116 THR HG2% 1.0 . 5.5 1190 1190 A 116 THR H A 115 MET HBx 1.0 . 5.0 1191 1191 A 116 THR HA A 117 THR H 1.0 . 5.0 1192 1192 A 116 THR HG2% A 117 THR H 1.0 . 5.0 1193 1193 A 116 THR HB A 117 THR H 1.0 . 5.0 1194 1194 A 116 THR HB A 117 THR H 1.0 . 5.0 1195 1195 A 117 THR HA A 118 LYS H 1.0 . 5.0 1196 1196 A 117 THR HG2% A 118 LYS H 1.0 . 5.0 1197 1197 A 117 THR HB A 118 LYS H 1.0 . 5.0 1198 1198 A 118 LYS HA A 119 THR H 1.0 . 5.0 1199 1199 A 118 LYS HBx A 119 THR H 1.0 . 5.0 1200 1200 A 118 LYS HBy A 119 THR H 1.0 . 5.0 1201 1201 A 118 LYS HGx A 119 THR H 1.0 . 5.0 1202 1202 A 118 LYS HA A 119 THR HG1 1.0 . 5.0 1203 1203 A 121 ALA HA A 122 GLU H 1.0 . 5.0 1204 1204 A 121 ALA HB% A 122 GLU H 1.0 . 5.0 1205 1205 A 121 ALA H A 122 GLU H 1.0 . 5.0 1206 1206 A 121 ALA HB% A 122 GLU HA 1.0 . 5.0 1207 1207 A 122 GLU HA A 123 GLN H 1.0 . 5.0 1208 1208 A 122 GLU HBx A 123 GLN H 1.0 . 5.0 1209 1209 A 122 GLU H A 123 GLN H 1.0 . 5.0 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 39 LYS H A 35 ALA O 1.0 . 2.30 2 2 A 35 ALA O A 39 LYS N 1.0 . 3.20 3 3 A 40 VAL H A 36 ILE O 1.0 . 2.10 4 4 A 36 ILE O A 40 VAL N 1.0 . 3.00 5 5 A 41 GLU H A 37 LYS O 1.0 . 2.40 6 6 A 37 LYS O A 41 GLU N 1.0 . 3.30 7 7 A 95 HIS H A 91 LEU O 1.0 . 2.40 8 8 A 91 LEU O A 95 HIS N 1.0 . 3.30 9 9 A 96 GLN H A 92 VAL O 1.0 . 2.10 10 10 A 92 VAL O A 96 GLN N 1.0 . 3.00 11 11 A 97 LEU H A 93 LYS O 1.0 . 2.12 12 12 A 93 LYS O A 97 LEU N 1.0 . 3.00 13 13 A 98 ILE H A 94 ARG O 1.0 . 2.30 14 14 A 94 ARG O A 98 ILE N 1.0 . 3.30 15 15 A 108 ALA H A 104 ASP O 1.0 . 2.80 16 16 A 104 ASP O A 108 ALA N 1.0 . 3.60 17 17 A 109 GLY H A 105 GLU O 1.0 . 2.40 18 18 A 105 GLU O A 109 GLY N 1.0 . 3.30 19 19 A 48 HIS H A 82 THR O 1.0 . 2.00 20 20 A 82 THR O A 48 HIS N 1.0 . 2.80 21 21 A 82 THR H A 48 HIS O 1.0 . 2.00 22 22 A 48 HIS O A 82 THR N 1.0 . 2.70 23 23 A 50 LYS H A 80 GLU H 1.0 . 3.20 24 24 A 50 LYS N A 80 GLU N 1.0 . 4.60 25 25 A 50 LYS O A 80 GLU O 1.0 . 3.40 26 26 A 50 LYS O A 80 GLU O 1.0 . 3.40 27 27 A 52 ILE H A 78 ARG O 1.0 . 2.20 28 28 A 78 ARG O A 52 ILE N 1.0 . 3.20 29 29 A 78 ARG H A 52 ILE O 1.0 . 2.40 30 30 A 52 ILE O A 78 ARG N 1.0 . 3.20 31 31 A 113 LEU H A 77 PHE O 1.0 . 2.50 32 32 A 77 PHE O A 113 LEU N 1.0 . 3.40 33 33 A 79 LEU H A 113 LEU O 1.0 . 2.40 34 34 A 113 LEU O A 79 LEU N 1.0 . 3.30 35 35 A 115 MET H A 79 LEU O 1.0 . 2.20 36 36 A 79 LEU O A 115 MET N 1.0 . 3.10 37 37 A 81 VAL H A 115 MET O 1.0 . 2.50 38 38 A 115 MET O A 81 VAL N 1.0 . 3.20 39 39 A 117 THR H A 81 VAL O 1.0 . 2.00 40 40 A 81 VAL O A 117 THR N 1.0 . 2.90 41 41 A 82 THR H A 117 THR O 1.0 . 5.20 42 42 A 82 THR N A 117 THR O 1.0 . 4.30 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 33 ALA C A 34 GLY N A 34 GLY CA A 34 GLY C 1.0 -60.0 -53.2 PHI 2 2 A 34 GLY N A 34 GLY CA A 34 GLY C A 35 ALA N 1.0 -40.3 -27.8 PSI 3 3 A 34 GLY C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -60.0 -53.2 PHI 4 4 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 ILE N 1.0 -40.3 -27.8 PSI 5 5 A 35 ALA C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -60.0 -53.2 PHI 6 6 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 LYS N 1.0 -40.3 -27.8 PSI 7 7 A 36 ILE C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -60.2 -54.5 PHI 8 8 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 SER N 1.0 -40.6 -17.9 PSI 9 9 A 37 LYS C A 38 SER N A 38 SER CA A 38 SER C 1.0 -63.9 -53.9 PHI 10 10 A 38 SER N A 38 SER CA A 38 SER C A 39 LYS N 1.0 -41.1 -34.1 PSI 11 11 A 38 SER C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -60.5 -50.5 PHI 12 12 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 VAL N 1.0 -41.7 -31.7 PSI 13 13 A 39 LYS C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -61.6 -55.6 PHI 14 14 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 GLU N 1.0 -41.9 -29.9 PSI 15 15 A 40 VAL C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -61.2 -51.2 PHI 16 16 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 ALA N 1.0 -41.8 -27.8 PSI 17 17 A 41 GLU C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -60.9 297.3 PHI 18 18 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 ALA N 1.0 -40.5 -22.6 PSI 19 19 A 42 ALA C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -62.9 -62.7 PHI 20 20 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 LEU N 1.0 -40.5 -22.6 PSI 21 21 A 43 ALA C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -60.0 269.5 PHI 22 22 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 SER N 1.0 -39.3 14.6 PSI 23 23 A 47 THR C A 48 HIS N A 48 HIS CA A 48 HIS C 1.0 -156.3 -129.9 PHI 24 24 A 48 HIS N A 48 HIS CA A 48 HIS C A 49 PHE N 1.0 125.9 145.9 PSI 25 25 A 48 HIS C A 49 PHE N A 49 PHE CA A 49 PHE C 1.0 -136.6 -103.7 PHI 26 26 A 49 PHE N A 49 PHE CA A 49 PHE C A 50 LYS N 1.0 119.9 139.9 PSI 27 27 A 49 PHE C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -127.1 -89.8 PHI 28 28 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 LEU N 1.0 117.0 141.9 PSI 29 29 A 50 LYS C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -123.9 -89.6 PHI 30 30 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 ILE N 1.0 121.0 141.0 PSI 31 31 A 51 LEU C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -125.0 -105.0 PHI 32 32 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 ASN N 1.0 118.5 138.5 PSI 33 33 A 52 ILE C A 53 ASN N A 53 ASN CA A 53 ASN C 1.0 -106.6 -85.5 PHI 34 34 A 53 ASN N A 53 ASN CA A 53 ASN C A 54 ASP N 1.0 101.7 121.7 PSI 35 35 A 57 LYS C A 58 HIS N A 58 HIS CA A 58 HIS C 1.0 -159.6 -99.8 PHI 36 36 A 58 HIS N A 58 HIS CA A 58 HIS C A 59 ALA N 1.0 122.7 172.0 PSI 37 37 A 76 HIS C A 77 PHE N A 77 PHE CA A 77 PHE C 1.0 -150.8 -113.5 PHI 38 38 A 77 PHE N A 77 PHE CA A 77 PHE C A 78 ARG N 1.0 136.4 156.4 PSI 39 39 A 77 PHE C A 78 ARG N A 78 ARG CA A 78 ARG C 1.0 -147.1 -109.6 PHI 40 40 A 78 ARG N A 78 ARG CA A 78 ARG C A 79 LEU N 1.0 115.5 142.5 PSI 41 41 A 78 ARG C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -133.9 -95.4 PHI 42 42 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 GLU N 1.0 119.2 141.8 PSI 43 43 A 79 LEU C A 80 GLU N A 80 GLU CA A 80 GLU C 1.0 -144.0 -100.8 PHI 44 44 A 80 GLU N A 80 GLU CA A 80 GLU C A 81 VAL N 1.0 119.0 155.2 PSI 45 45 A 80 GLU C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -143.2 -109.8 PHI 46 46 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 THR N 1.0 113.7 145.5 PSI 47 47 A 81 VAL C A 82 THR N A 82 THR CA A 82 THR C 1.0 -117.3 -91.8 PHI 48 48 A 82 THR N A 82 THR CA A 82 THR C A 83 SER N 1.0 115.1 143.2 PSI 49 49 A 82 THR C A 83 SER N A 83 SER CA A 83 SER C 1.0 -124.7 -83.1 PHI 50 50 A 83 SER N A 83 SER CA A 83 SER C A 84 ASP N 1.0 105.5 128.4 PSI 51 51 A 86 PHE C A 87 LYS N A 87 LYS CA A 87 LYS C 1.0 -98.9 -55.1 PHI 52 52 A 87 LYS N A 87 LYS CA A 87 LYS C A 88 GLY N 1.0 124.5 148.3 PSI 53 53 A 88 GLY C A 89 LEU N A 89 LEU CA A 89 LEU C 1.0 -115.1 -76.5 PHI 54 54 A 89 LEU N A 89 LEU CA A 89 LEU C A 90 THR N 1.0 118.1 158.6 PSI 55 55 A 90 THR C A 91 LEU N A 91 LEU CA A 91 LEU C 1.0 -71.7 -51.7 PHI 56 56 A 91 LEU N A 91 LEU CA A 91 LEU C A 92 VAL N 1.0 -55.6 -26.1 PSI 57 57 A 91 LEU C A 92 VAL N A 92 VAL CA A 92 VAL C 1.0 -77.1 -57.1 PHI 58 58 A 92 VAL N A 92 VAL CA A 92 VAL C A 93 LYS N 1.0 -45.8 -14.7 PSI 59 59 A 92 VAL C A 93 LYS N A 93 LYS CA A 93 LYS C 1.0 -79.5 -55.2 PHI 60 60 A 93 LYS N A 93 LYS CA A 93 LYS C A 94 ARG N 1.0 -49.0 -19.1 PSI 61 61 A 93 LYS C A 94 ARG N A 94 ARG CA A 94 ARG C 1.0 -73.2 -53.2 PHI 62 62 A 94 ARG N A 94 ARG CA A 94 ARG C A 95 HIS N 1.0 -46.8 -25.4 PSI 63 63 A 94 ARG C A 95 HIS N A 95 HIS CA A 95 HIS C 1.0 -76.5 -56.5 PHI 64 64 A 95 HIS N A 95 HIS CA A 95 HIS C A 96 GLN N 1.0 -49.1 -20.1 PSI 65 65 A 95 HIS C A 96 GLN N A 96 GLN CA A 96 GLN C 1.0 -73.3 -53.3 PHI 66 66 A 96 GLN N A 96 GLN CA A 96 GLN C A 97 LEU N 1.0 -53.5 -33.5 PSI 67 67 A 96 GLN C A 97 LEU N A 97 LEU CA A 97 LEU C 1.0 -72.9 -52.9 PHI 68 68 A 97 LEU N A 97 LEU CA A 97 LEU C A 98 ILE N 1.0 -49.2 -26.6 PSI 69 69 A 97 LEU C A 98 ILE N A 98 ILE CA A 98 ILE C 1.0 -76.3 -56.3 PHI 70 70 A 98 ILE N A 98 ILE CA A 98 ILE C A 99 TYR N 1.0 -58.0 -23.0 PSI 71 71 A 99 TYR C A 100 GLY N A 100 GLY CA A 100 GLY C 1.0 -99.7 -62.5 PHI 72 72 A 100 GLY N A 100 GLY CA A 100 GLY C A 101 LEU N 1.0 -36.8 0.8 PSI 73 73 A 103 SER C A 104 ASP N A 104 ASP CA A 104 ASP C 1.0 -77.6 -57.6 PHI 74 74 A 104 ASP N A 104 ASP CA A 104 ASP C A 105 GLU N 1.0 -40.5 -20.5 PSI 75 75 A 104 ASP C A 105 GLU N A 105 GLU CA A 105 GLU C 1.0 -74.1 -54.1 PHI 76 76 A 105 GLU N A 105 GLU CA A 105 GLU C A 106 PHE N 1.0 -50.8 -30.8 PSI 77 77 A 105 GLU C A 106 PHE N A 106 PHE CA A 106 PHE C 1.0 -74.3 -54.3 PHI 78 78 A 106 PHE N A 106 PHE CA A 106 PHE C A 107 LYS N 1.0 -51.3 -25.8 PSI 79 79 A 106 PHE C A 107 LYS N A 107 LYS CA A 107 LYS C 1.0 -79.8 -59.8 PHI 80 80 A 107 LYS N A 107 LYS CA A 107 LYS C A 108 ALA N 1.0 -34.2 -14.2 PSI 81 81 A 108 ALA C A 109 GLY N A 109 GLY CA A 109 GLY C 1.0 82.6 102.6 PHI 82 82 A 109 GLY N A 109 GLY CA A 109 GLY C A 110 LEU N 1.0 -6.1 17.2 PSI 83 83 A 109 GLY C A 110 LEU N A 110 LEU CA A 110 LEU C 1.0 -118.2 -78.3 PHI 84 84 A 110 LEU N A 110 LEU CA A 110 LEU C A 111 HIS N 1.0 102.3 137.7 PSI 85 85 A 111 HIS C A 112 ALA N A 112 ALA CA A 112 ALA C 1.0 -162.1 -117.9 PHI 86 86 A 112 ALA N A 112 ALA CA A 112 ALA C A 113 LEU N 1.0 140.3 161.0 PSI 87 87 A 112 ALA C A 113 LEU N A 113 LEU CA A 113 LEU C 1.0 -149.9 -122.9 PHI 88 88 A 113 LEU N A 113 LEU CA A 113 LEU C A 114 SER N 1.0 123.2 150.9 PSI 89 89 A 113 LEU C A 114 SER N A 114 SER CA A 114 SER C 1.0 -111.0 -85.5 PHI 90 90 A 114 SER N A 114 SER CA A 114 SER C A 115 MET N 1.0 115.5 135.5 PSI 91 91 A 114 SER C A 115 MET N A 115 MET CA A 115 MET C 1.0 -142.2 -91.1 PHI 92 92 A 115 MET N A 115 MET CA A 115 MET C A 116 THR N 1.0 120.7 146.0 PSI 93 93 A 115 MET C A 116 THR N A 116 THR CA A 116 THR C 1.0 -126.7 -98.3 PHI 94 94 A 116 THR N A 116 THR CA A 116 THR C A 117 THR N 1.0 111.9 138.7 PSI 95 95 A 116 THR C A 117 THR N A 117 THR CA A 117 THR C 1.0 -119.8 -99.8 PHI 96 96 A 117 THR N A 117 THR CA A 117 THR C A 118 LYS N 1.0 110.5 131.7 PSI 97 97 A 117 THR C A 118 LYS N A 118 LYS CA A 118 LYS C 1.0 -153.9 -109.2 PHI 98 98 A 118 LYS N A 118 LYS CA A 118 LYS C A 119 THR N 1.0 140.8 175.1 PSI 99 99 A 120 PRO C A 121 ALA N A 121 ALA CA A 121 ALA C 1.0 -106.4 -81.9 PHI 100 100 A 121 ALA N A 121 ALA CA A 121 ALA C A 122 GLU N 1.0 -18.1 14.1 PSI 101 101 A 121 ALA C A 122 GLU N A 122 GLU CA A 122 GLU C 1.0 -151.9 -89.3 PHI 102 102 A 122 GLU N A 122 GLU CA A 122 GLU C A 123 GLN N 1.0 94.2 134.9 PSI stop_ save_