data_nef_c17588_2lc2 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 SER middle . . 3 A 3 SER middle . . 4 A 4 GLY middle . false 5 A 5 SER middle . . 6 A 6 SER middle . . 7 A 7 GLY middle . false 8 A 8 ASN middle . . 9 A 9 VAL middle . . 10 A 10 ASP middle . . 11 A 11 SER middle . . 12 A 12 ASN middle . . 13 A 13 GLN middle . . 14 A 14 ASN middle . . 15 A 15 LYS middle . . 16 A 16 ALA middle . . 17 A 17 SER middle . . 18 A 18 MET middle . . 19 A 19 LEU middle . . 20 A 20 GLN middle . . 21 A 21 ALA middle . . 22 A 22 ARG middle . . 23 A 23 LEU middle . . 24 A 24 ASN middle . . 25 A 25 ASP middle . . 26 A 26 GLU middle . . 27 A 27 ALA middle . . 28 A 28 GLY middle . false 29 A 29 GLY middle . false 30 A 30 THR middle . . 31 A 31 ARG middle . . 32 A 32 LEU middle . . 33 A 33 LEU middle . . 34 A 34 ARG middle . . 35 A 35 VAL middle . . 36 A 36 HIS middle . . 37 A 37 HIS middle . . 38 A 38 GLU middle . . 39 A 39 SER middle . . 40 A 40 ASP middle . . 41 A 41 THR middle . . 42 A 42 GLU middle . . 43 A 43 GLU middle . . 44 A 44 ARG middle . . 45 A 45 GLY middle . false 46 A 46 PHE middle . . 47 A 47 LEU middle . . 48 A 48 GLU middle . . 49 A 49 LYS middle . . 50 A 50 ALA middle . . 51 A 51 ALA middle . . 52 A 52 VAL middle . . 53 A 53 LYS middle . . 54 A 54 LYS middle . . 55 A 55 MET middle . . 56 A 56 ALA middle . . 57 A 57 LYS middle . . 58 A 58 ALA middle . . 59 A 59 ILE middle . . 60 A 60 MET middle . . 61 A 61 ALA middle . . 62 A 62 ASP middle . . 63 A 63 PRO middle . false 64 A 64 ASN middle . . 65 A 65 LYS middle . . 66 A 66 ALA middle . . 67 A 67 ASP middle . . 68 A 68 GLU middle . . 69 A 69 VAL middle . . 70 A 70 TYR middle . . 71 A 71 LYS middle . . 72 A 72 LYS middle . . 73 A 73 TRP middle . . 74 A 74 ALA middle . . 75 A 75 ASP middle . . 76 A 76 LYS middle . . 77 A 77 GLY middle . false 78 A 78 TYR middle . . 79 A 79 THR middle . . 80 A 80 LEU middle . . 81 A 81 THR middle . . 82 A 82 GLN middle . . 83 A 83 MET middle . . 84 A 84 SER middle . . 85 A 85 ASN middle . . 86 A 86 PHE middle . . 87 A 87 LEU middle . . 88 A 88 LYS middle . . 89 A 89 SER middle . . 90 A 90 LYS middle . . 91 A 91 THR middle . . 92 A 92 ALA middle . . 93 A 93 GLY middle . false 94 A 94 LYS middle . . 95 A 95 TYR middle . . 96 A 96 ASP middle . . 97 A 97 ARG middle . . 98 A 98 VAL middle . . 99 A 99 TYR middle . . 100 A 100 ASN middle . . 101 A 101 GLY middle . false 102 A 102 TYR middle . . 103 A 103 VAL middle . . 104 A 104 ILE middle . . 105 A 105 HIS middle . . 106 A 106 LEU middle . . 107 A 107 ASP middle . . 108 A 108 TYR 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 6 SER H H 1 8.312 0.030 A 6 SER HA H 1 4.480 0.030 A 6 SER HB2 H 1 3.888 0.030 A 6 SER HB3 H 1 3.888 0.030 A 6 SER C C 13 174.995 0.300 A 6 SER CA C 13 58.675 0.300 A 6 SER CB C 13 63.822 0.300 A 6 SER N N 15 117.003 0.300 A 7 GLY H H 1 8.394 0.030 A 7 GLY HA2 H 1 3.973 0.030 A 7 GLY HA3 H 1 3.973 0.030 A 7 GLY C C 13 173.853 0.300 A 7 GLY CA C 13 45.347 0.300 A 7 GLY N N 15 110.458 0.300 A 8 ASN H H 1 8.308 0.030 A 8 ASN HA H 1 4.757 0.030 A 8 ASN HB2 H 1 2.766 0.030 A 8 ASN HB3 H 1 2.766 0.030 A 8 ASN HD2x H 1 6.943 0.030 A 8 ASN HD2y H 1 7.585 0.030 A 8 ASN C C 13 175.389 0.300 A 8 ASN CA C 13 53.231 0.300 A 8 ASN CB C 13 38.959 0.300 A 8 ASN N N 15 119.020 0.300 A 8 ASN ND2 N 15 113.102 0.300 A 9 VAL H H 1 8.173 0.030 A 9 VAL HA H 1 4.115 0.030 A 9 VAL HB H 1 2.090 0.030 A 9 VAL HG1% H 1 0.912 0.030 A 9 VAL HG2% H 1 0.912 0.030 A 9 VAL C C 13 175.980 0.300 A 9 VAL CA C 13 62.468 0.300 A 9 VAL CB C 13 32.712 0.300 A 9 VAL CGy C 13 21.164 0.300 A 9 VAL CGx C 13 20.306 0.300 A 9 VAL N N 15 120.281 0.300 A 10 ASP H H 1 8.418 0.030 A 10 ASP HA H 1 4.624 0.030 A 10 ASP HBy H 1 2.732 0.030 A 10 ASP HBx H 1 2.634 0.030 A 10 ASP C C 13 176.599 0.300 A 10 ASP CA C 13 54.390 0.300 A 10 ASP CB C 13 41.343 0.300 A 10 ASP N N 15 123.840 0.300 A 12 ASN H H 1 8.511 0.030 A 12 ASN HA H 1 4.685 0.030 A 12 ASN HB2 H 1 2.826 0.030 A 12 ASN HB3 H 1 2.826 0.030 A 12 ASN HD2x H 1 6.947 0.030 A 12 ASN HD2y H 1 7.686 0.030 A 12 ASN C C 13 175.646 0.300 A 12 ASN CA C 13 53.793 0.300 A 12 ASN CB C 13 38.630 0.300 A 12 ASN N N 15 120.512 0.300 A 12 ASN ND2 N 15 113.394 0.300 A 13 GLN H H 1 8.258 0.030 A 13 GLN HA H 1 4.238 0.030 A 13 GLN HB2 H 1 1.987 0.030 A 13 GLN HB3 H 1 1.987 0.030 A 13 GLN HE2x H 1 6.881 0.030 A 13 GLN HE2y H 1 7.530 0.030 A 13 GLN HG2 H 1 2.378 0.030 A 13 GLN HG3 H 1 2.378 0.030 A 13 GLN C C 13 175.988 0.300 A 13 GLN CA C 13 56.447 0.300 A 13 GLN CB C 13 29.137 0.300 A 13 GLN CG C 13 33.822 0.300 A 13 GLN N N 15 120.057 0.300 A 13 GLN NE2 N 15 112.669 0.300 A 14 ASN H H 1 8.377 0.030 A 14 ASN HA H 1 4.685 0.030 A 14 ASN HB2 H 1 2.839 0.030 A 14 ASN HB3 H 1 2.839 0.030 A 14 ASN HD2x H 1 6.944 0.030 A 14 ASN HD2y H 1 7.631 0.030 A 14 ASN C C 13 175.552 0.300 A 14 ASN CA C 13 53.565 0.300 A 14 ASN CB C 13 38.763 0.300 A 14 ASN N N 15 119.323 0.300 A 14 ASN ND2 N 15 113.089 0.300 A 15 LYS H H 1 8.224 0.030 A 15 LYS HA H 1 4.214 0.030 A 15 LYS HB2 H 1 1.860 0.030 A 15 LYS HB3 H 1 1.860 0.030 A 15 LYS C C 13 176.933 0.300 A 15 LYS CA C 13 57.235 0.300 A 15 LYS CB C 13 32.753 0.300 A 15 LYS CD C 13 29.301 0.300 A 15 LYS CE C 13 42.123 0.300 A 15 LYS CG C 13 24.781 0.300 A 15 LYS N N 15 121.938 0.300 A 16 ALA H H 1 8.292 0.030 A 16 ALA HA H 1 4.274 0.030 A 16 ALA HB% H 1 1.420 0.030 A 16 ALA C C 13 178.593 0.300 A 16 ALA CA C 13 53.442 0.300 A 16 ALA CB C 13 18.863 0.300 A 16 ALA N N 15 123.956 0.300 A 17 SER H H 1 8.200 0.030 A 17 SER HA H 1 4.365 0.030 A 17 SER HBy H 1 3.929 0.030 A 17 SER HBx H 1 3.877 0.030 A 17 SER C C 13 175.370 0.300 A 17 SER CA C 13 59.077 0.300 A 17 SER CB C 13 63.383 0.300 A 17 SER N N 15 114.462 0.300 A 18 MET H H 1 8.214 0.030 A 18 MET HA H 1 4.429 0.030 A 18 MET HBy H 1 2.125 0.030 A 18 MET HBx H 1 2.055 0.030 A 18 MET HE% H 1 2.077 0.030 A 18 MET HGy H 1 2.632 0.030 A 18 MET HGx H 1 2.524 0.030 A 18 MET C C 13 176.829 0.300 A 18 MET CA C 13 56.357 0.300 A 18 MET CB C 13 32.630 0.300 A 18 MET CE C 13 17.046 0.300 A 18 MET CG C 13 32.089 0.300 A 18 MET N N 15 121.999 0.300 A 19 LEU H H 1 8.076 0.030 A 19 LEU HA H 1 4.256 0.030 A 19 LEU HB2 H 1 1.678 0.030 A 19 LEU HB3 H 1 1.678 0.030 A 19 LEU HDx% H 1 0.903 0.030 A 19 LEU HDy% H 1 0.869 0.030 A 19 LEU HG H 1 1.609 0.030 A 19 LEU C C 13 177.774 0.300 A 19 LEU CA C 13 56.111 0.300 A 19 LEU CB C 13 42.041 0.300 A 19 LEU CDy C 13 24.832 0.300 A 19 LEU CDx C 13 23.657 0.300 A 19 LEU CG C 13 27.082 0.300 A 19 LEU N N 15 122.083 0.300 A 20 GLN H H 1 8.174 0.030 A 20 GLN HA H 1 4.207 0.030 A 20 GLN HBy H 1 2.096 0.030 A 20 GLN HBx H 1 2.023 0.030 A 20 GLN HE2x H 1 6.881 0.030 A 20 GLN HE2y H 1 7.530 0.030 A 20 GLN HG2 H 1 2.381 0.030 A 20 GLN HG3 H 1 2.381 0.030 A 20 GLN C C 13 176.166 0.300 A 20 GLN CA C 13 56.409 0.300 A 20 GLN CB C 13 29.196 0.300 A 20 GLN CG C 13 33.904 0.300 A 20 GLN N N 15 120.123 0.300 A 20 GLN NE2 N 15 112.669 0.300 A 22 ARG H H 1 8.147 0.030 A 22 ARG HA H 1 4.308 0.030 A 22 ARG HBx H 1 1.800 0.030 A 22 ARG HBy H 1 1.867 0.030 A 22 ARG HD2 H 1 3.188 0.030 A 22 ARG HD3 H 1 3.188 0.030 A 22 ARG HG2 H 1 1.639 0.030 A 22 ARG HG3 H 1 1.639 0.030 A 22 ARG C C 13 176.750 0.300 A 22 ARG CA C 13 56.427 0.300 A 22 ARG CB C 13 30.616 0.300 A 22 ARG CD C 13 43.662 0.300 A 22 ARG CG C 13 27.082 0.300 A 22 ARG N N 15 119.591 0.300 A 23 LEU H H 1 8.220 0.030 A 23 LEU HA H 1 4.274 0.030 A 23 LEU HBy H 1 1.676 0.030 A 23 LEU HBx H 1 1.566 0.030 A 23 LEU HDx% H 1 0.908 0.030 A 23 LEU HDy% H 1 0.862 0.030 A 23 LEU HG H 1 1.637 0.030 A 23 LEU C C 13 177.547 0.300 A 23 LEU CA C 13 55.690 0.300 A 23 LEU CB C 13 42.082 0.300 A 23 LEU CDy C 13 25.027 0.300 A 23 LEU CDx C 13 23.675 0.300 A 23 LEU CG C 13 27.018 0.300 A 23 LEU N N 15 122.553 0.300 A 24 ASN H H 1 8.351 0.030 A 24 ASN HA H 1 4.673 0.030 A 24 ASN HBx H 1 2.783 0.030 A 24 ASN HBy H 1 2.845 0.030 A 24 ASN HD2x H 1 6.944 0.030 A 24 ASN HD2y H 1 7.631 0.030 A 24 ASN C C 13 175.246 0.300 A 24 ASN CA C 13 53.565 0.300 A 24 ASN CB C 13 38.836 0.300 A 24 ASN N N 15 118.666 0.300 A 24 ASN ND2 N 15 113.030 0.300 A 25 ASP H H 1 8.234 0.030 A 25 ASP HA H 1 4.576 0.030 A 25 ASP HB2 H 1 2.676 0.030 A 25 ASP HB3 H 1 2.676 0.030 A 25 ASP C C 13 176.732 0.300 A 25 ASP CA C 13 54.706 0.300 A 25 ASP CB C 13 41.219 0.300 A 25 ASP N N 15 120.897 0.300 A 26 GLU H H 1 8.368 0.030 A 26 GLU HA H 1 4.214 0.030 A 26 GLU HBx H 1 1.977 0.030 A 26 GLU HBy H 1 2.077 0.030 A 26 GLU HG2 H 1 2.267 0.030 A 26 GLU HG3 H 1 2.267 0.030 A 26 GLU C C 13 176.857 0.300 A 26 GLU CA C 13 57.247 0.300 A 26 GLU CB C 13 29.959 0.300 A 26 GLU CG C 13 36.333 0.300 A 26 GLU N N 15 121.168 0.300 A 27 ALA H H 1 8.289 0.030 A 27 ALA HA H 1 4.317 0.030 A 27 ALA HB% H 1 1.402 0.030 A 27 ALA C C 13 178.520 0.300 A 27 ALA CA C 13 52.986 0.300 A 27 ALA CB C 13 18.945 0.300 A 27 ALA N N 15 124.100 0.300 A 28 GLY H H 1 8.315 0.030 A 28 GLY HA2 H 1 3.972 0.030 A 28 GLY HA3 H 1 3.972 0.030 A 28 GLY C C 13 175.019 0.300 A 28 GLY CA C 13 45.628 0.300 A 28 GLY N N 15 107.844 0.300 A 29 GLY H H 1 8.266 0.030 A 29 GLY HA2 H 1 4.013 0.030 A 29 GLY HA3 H 1 4.013 0.030 A 29 GLY C C 13 174.659 0.300 A 29 GLY CA C 13 45.487 0.300 A 29 GLY N N 15 108.754 0.300 A 30 THR H H 1 8.111 0.030 A 30 THR HA H 1 4.301 0.030 A 30 THR HB H 1 4.248 0.030 A 30 THR HG2% H 1 1.187 0.030 A 30 THR C C 13 174.789 0.300 A 30 THR CA C 13 62.327 0.300 A 30 THR CB C 13 69.553 0.300 A 30 THR CG2 C 13 21.657 0.300 A 30 THR N N 15 114.068 0.300 A 31 ARG H H 1 8.343 0.030 A 31 ARG HA H 1 4.299 0.030 A 31 ARG HB2 H 1 1.788 0.030 A 31 ARG HB3 H 1 1.788 0.030 A 31 ARG HD2 H 1 3.183 0.030 A 31 ARG HD3 H 1 3.183 0.030 A 31 ARG HG2 H 1 1.606 0.030 A 31 ARG HG3 H 1 1.606 0.030 A 31 ARG C C 13 176.125 0.300 A 31 ARG CA C 13 56.462 0.300 A 31 ARG CB C 13 30.657 0.300 A 31 ARG CD C 13 43.274 0.300 A 31 ARG CG C 13 27.082 0.300 A 31 ARG N N 15 123.536 0.300 A 32 LEU H H 1 8.203 0.030 A 32 LEU HA H 1 4.319 0.030 A 32 LEU HB2 H 1 1.553 0.030 A 32 LEU HB3 H 1 1.553 0.030 A 32 LEU HDx% H 1 0.905 0.030 A 32 LEU HDy% H 1 0.844 0.030 A 32 LEU HG H 1 1.584 0.030 A 32 LEU C C 13 177.036 0.300 A 32 LEU CA C 13 55.233 0.300 A 32 LEU CB C 13 42.264 0.300 A 32 LEU CDy C 13 24.781 0.300 A 32 LEU CDx C 13 23.551 0.300 A 32 LEU CG C 13 27.082 0.300 A 32 LEU N N 15 122.865 0.300 A 33 LEU H H 1 8.150 0.030 A 33 LEU HA H 1 4.336 0.030 A 33 LEU HB2 H 1 1.623 0.030 A 33 LEU HB3 H 1 1.623 0.030 A 33 LEU HDx% H 1 0.905 0.030 A 33 LEU HDy% H 1 0.845 0.030 A 33 LEU HG H 1 1.585 0.030 A 33 LEU C C 13 177.022 0.300 A 33 LEU CA C 13 55.069 0.300 A 33 LEU CB C 13 42.288 0.300 A 33 LEU CDy C 13 24.973 0.300 A 33 LEU CDx C 13 23.694 0.300 A 33 LEU CG C 13 27.146 0.300 A 33 LEU N N 15 123.054 0.300 A 34 ARG H H 1 8.248 0.030 A 34 ARG HA H 1 4.337 0.030 A 34 ARG HBx H 1 1.728 0.030 A 34 ARG HBy H 1 1.782 0.030 A 34 ARG HD2 H 1 3.156 0.030 A 34 ARG HD3 H 1 3.156 0.030 A 34 ARG HG2 H 1 1.532 0.030 A 34 ARG HG3 H 1 1.532 0.030 A 34 ARG C C 13 175.950 0.300 A 34 ARG CA C 13 55.918 0.300 A 34 ARG CB C 13 30.781 0.300 A 34 ARG CD C 13 43.274 0.300 A 34 ARG CG C 13 27.082 0.300 A 34 ARG N N 15 122.226 0.300 A 35 VAL H H 1 8.107 0.030 A 35 VAL HA H 1 4.041 0.030 A 35 VAL HB H 1 1.958 0.030 A 35 VAL HGx% H 1 0.779 0.030 A 35 VAL HGy% H 1 0.850 0.030 A 35 VAL C C 13 175.709 0.300 A 35 VAL CA C 13 62.240 0.300 A 35 VAL CB C 13 32.753 0.300 A 35 VAL CGy C 13 21.029 0.300 A 35 VAL CGx C 13 20.517 0.300 A 35 VAL N N 15 121.294 0.300 A 36 HIS H H 1 8.410 0.030 A 36 HIS HA H 1 4.598 0.030 A 36 HIS HBy H 1 3.086 0.030 A 36 HIS HBx H 1 3.022 0.030 A 36 HIS HD2 H 1 7.000 0.030 A 36 HIS HE1 H 1 7.904 0.030 A 36 HIS C C 13 174.825 0.300 A 36 HIS CA C 13 56.111 0.300 A 36 HIS CB C 13 30.944 0.300 A 36 HIS CD2 C 13 119.885 0.300 A 36 HIS CE1 C 13 138.100 0.300 A 36 HIS N N 15 123.522 0.300 A 37 HIS HA H 1 4.600 0.030 A 37 HIS HB2 H 1 3.055 0.030 A 37 HIS HB3 H 1 3.055 0.030 A 37 HIS HD2 H 1 7.020 0.030 A 37 HIS HE1 H 1 7.904 0.030 A 37 HIS C C 13 175.173 0.300 A 37 HIS CA C 13 56.217 0.300 A 37 HIS CB C 13 31.027 0.300 A 37 HIS CD2 C 13 119.967 0.300 A 37 HIS CE1 C 13 138.100 0.300 A 38 GLU H H 1 8.569 0.030 A 38 GLU HA H 1 4.255 0.030 A 38 GLU HB2 H 1 2.050 0.030 A 38 GLU HB3 H 1 2.050 0.030 A 38 GLU HG2 H 1 2.252 0.030 A 38 GLU HG3 H 1 2.252 0.030 A 38 GLU C C 13 176.483 0.300 A 38 GLU CA C 13 56.919 0.300 A 38 GLU CB C 13 30.328 0.300 A 38 GLU CG C 13 36.205 0.300 A 38 GLU N N 15 122.826 0.300 A 39 SER H H 1 8.444 0.030 A 39 SER HA H 1 4.454 0.030 A 39 SER HB2 H 1 3.888 0.030 A 39 SER HB3 H 1 3.888 0.030 A 39 SER C C 13 174.497 0.300 A 39 SER CA C 13 58.552 0.300 A 39 SER CB C 13 64.028 0.300 A 39 SER N N 15 116.398 0.300 A 40 ASP H H 1 8.469 0.030 A 40 ASP HA H 1 4.672 0.030 A 40 ASP HB2 H 1 2.729 0.030 A 40 ASP HB3 H 1 2.729 0.030 A 40 ASP C C 13 176.783 0.300 A 40 ASP CA C 13 54.759 0.300 A 40 ASP CB C 13 41.014 0.300 A 40 ASP N N 15 122.831 0.300 A 41 THR H H 1 8.066 0.030 A 41 THR HA H 1 4.181 0.030 A 41 THR HB H 1 4.251 0.030 A 41 THR HG2% H 1 1.184 0.030 A 41 THR C C 13 175.314 0.300 A 41 THR CA C 13 62.819 0.300 A 41 THR CB C 13 69.576 0.300 A 41 THR CG2 C 13 21.740 0.300 A 41 THR N N 15 113.679 0.300 A 42 GLU H H 1 8.343 0.030 A 42 GLU HA H 1 4.208 0.030 A 42 GLU HBx H 1 1.977 0.030 A 42 GLU HBy H 1 2.068 0.030 A 42 GLU HG2 H 1 2.232 0.030 A 42 GLU HG3 H 1 2.232 0.030 A 42 GLU C C 13 177.129 0.300 A 42 GLU CA C 13 57.322 0.300 A 42 GLU CB C 13 30.000 0.300 A 42 GLU CG C 13 36.452 0.300 A 42 GLU N N 15 122.776 0.300 A 43 GLU H H 1 8.225 0.030 A 43 GLU HA H 1 3.988 0.030 A 43 GLU HB2 H 1 2.026 0.030 A 43 GLU HB3 H 1 2.026 0.030 A 43 GLU HGx H 1 2.093 0.030 A 43 GLU HGy H 1 2.256 0.030 A 43 GLU C C 13 177.573 0.300 A 43 GLU CA C 13 59.307 0.300 A 43 GLU CB C 13 29.648 0.300 A 43 GLU CG C 13 36.534 0.300 A 43 GLU N N 15 121.986 0.300 A 44 ARG H H 1 8.401 0.030 A 44 ARG HA H 1 4.226 0.030 A 44 ARG HB2 H 1 1.876 0.030 A 44 ARG HB3 H 1 1.876 0.030 A 44 ARG HD2 H 1 3.220 0.030 A 44 ARG HD3 H 1 3.220 0.030 A 44 ARG HGx H 1 1.649 0.030 A 44 ARG HGy H 1 1.740 0.030 A 44 ARG C C 13 178.048 0.300 A 44 ARG CA C 13 57.779 0.300 A 44 ARG CB C 13 30.366 0.300 A 44 ARG CD C 13 43.356 0.300 A 44 ARG CG C 13 27.270 0.300 A 44 ARG N N 15 121.336 0.300 A 45 GLY H H 1 8.536 0.030 A 45 GLY HA2 H 1 4.021 0.030 A 45 GLY HA3 H 1 4.021 0.030 A 45 GLY C C 13 175.522 0.300 A 45 GLY CA C 13 46.400 0.300 A 45 GLY N N 15 109.098 0.300 A 46 PHE H H 1 8.071 0.030 A 46 PHE HA H 1 4.417 0.030 A 46 PHE HB2 H 1 3.243 0.030 A 46 PHE HB3 H 1 3.243 0.030 A 46 PHE HD1 H 1 7.268 0.030 A 46 PHE HD2 H 1 7.268 0.030 A 46 PHE HE1 H 1 7.373 0.030 A 46 PHE HE2 H 1 7.373 0.030 A 46 PHE HZ H 1 7.316 0.030 A 46 PHE C C 13 177.561 0.300 A 46 PHE CA C 13 60.080 0.300 A 46 PHE CB C 13 38.911 0.300 A 46 PHE CD1 C 13 131.814 0.300 A 46 PHE CD2 C 13 131.814 0.300 A 46 PHE CE1 C 13 131.640 0.300 A 46 PHE CE2 C 13 131.640 0.300 A 46 PHE CZ C 13 130.073 0.300 A 46 PHE N N 15 121.592 0.300 A 47 LEU H H 1 8.215 0.030 A 47 LEU HA H 1 4.042 0.030 A 47 LEU HBy H 1 1.820 0.030 A 47 LEU HBx H 1 1.519 0.030 A 47 LEU HDx% H 1 0.927 0.030 A 47 LEU HDy% H 1 0.899 0.030 A 47 LEU HG H 1 1.702 0.030 A 47 LEU C C 13 179.621 0.300 A 47 LEU CA C 13 57.460 0.300 A 47 LEU CB C 13 41.637 0.300 A 47 LEU CDy C 13 25.513 0.300 A 47 LEU CDx C 13 23.076 0.300 A 47 LEU CG C 13 26.978 0.300 A 47 LEU N N 15 121.344 0.300 A 49 LYS H H 1 7.790 0.030 A 49 LYS HA H 1 3.243 0.030 A 49 LYS HBy H 1 1.847 0.030 A 49 LYS HBx H 1 1.796 0.030 A 49 LYS HD2 H 1 1.781 0.030 A 49 LYS HD3 H 1 1.781 0.030 A 49 LYS HEy H 1 3.080 0.030 A 49 LYS HEx H 1 3.005 0.030 A 49 LYS HGy H 1 1.548 0.030 A 49 LYS HGx H 1 1.319 0.030 A 49 LYS C C 13 177.659 0.300 A 49 LYS CA C 13 59.886 0.300 A 49 LYS CB C 13 32.302 0.300 A 49 LYS CD C 13 30.001 0.300 A 49 LYS CE C 13 42.141 0.300 A 49 LYS CG C 13 24.945 0.300 A 49 LYS N N 15 118.759 0.300 A 50 ALA H H 1 7.798 0.030 A 50 ALA HA H 1 3.959 0.030 A 50 ALA HB% H 1 1.351 0.030 A 50 ALA C C 13 180.486 0.300 A 50 ALA CA C 13 54.882 0.300 A 50 ALA CB C 13 17.877 0.300 A 50 ALA N N 15 120.023 0.300 A 51 ALA H H 1 7.809 0.030 A 51 ALA HA H 1 4.113 0.030 A 51 ALA HB% H 1 1.523 0.030 A 51 ALA C C 13 180.762 0.300 A 51 ALA CA C 13 55.111 0.300 A 51 ALA CB C 13 18.041 0.300 A 51 ALA N N 15 121.955 0.300 A 52 VAL H H 1 7.944 0.030 A 52 VAL HA H 1 3.650 0.030 A 52 VAL HB H 1 1.386 0.030 A 52 VAL HGx% H 1 0.192 0.030 A 52 VAL HGy% H 1 0.134 0.030 A 52 VAL C C 13 178.567 0.300 A 52 VAL CA C 13 67.227 0.300 A 52 VAL CB C 13 31.110 0.300 A 52 VAL CGx C 13 21.434 0.300 A 52 VAL CGy C 13 22.678 0.300 A 52 VAL N N 15 120.415 0.300 A 53 LYS H H 1 8.132 0.030 A 53 LYS HA H 1 3.564 0.030 A 53 LYS HB2 H 1 1.795 0.030 A 53 LYS HB3 H 1 1.795 0.030 A 53 LYS HD2 H 1 1.716 0.030 A 53 LYS HD3 H 1 1.716 0.030 A 53 LYS HEy H 1 3.028 0.030 A 53 LYS HEx H 1 2.960 0.030 A 53 LYS HGx H 1 1.011 0.030 A 53 LYS HGy H 1 1.593 0.030 A 53 LYS C C 13 178.546 0.300 A 53 LYS CA C 13 60.720 0.300 A 53 LYS CB C 13 32.251 0.300 A 53 LYS CD C 13 29.451 0.300 A 53 LYS CE C 13 42.333 0.300 A 53 LYS CG C 13 27.082 0.300 A 53 LYS N N 15 119.231 0.300 A 55 MET H H 1 7.816 0.030 A 55 MET HA H 1 4.251 0.030 A 55 MET HBx H 1 2.198 0.030 A 55 MET HBy H 1 2.581 0.030 A 55 MET HE% H 1 2.151 0.030 A 55 MET HGx H 1 2.663 0.030 A 55 MET HGy H 1 3.015 0.030 A 55 MET C C 13 177.536 0.300 A 55 MET CA C 13 58.396 0.300 A 55 MET CB C 13 34.228 0.300 A 55 MET CE C 13 18.746 0.300 A 55 MET CG C 13 33.411 0.300 A 55 MET N N 15 119.732 0.300 A 56 ALA H H 1 7.513 0.030 A 56 ALA HA H 1 4.274 0.030 A 56 ALA HB% H 1 1.456 0.030 A 56 ALA C C 13 177.758 0.300 A 56 ALA CA C 13 53.442 0.300 A 56 ALA CB C 13 19.068 0.300 A 56 ALA N N 15 118.874 0.300 A 57 LYS H H 1 8.444 0.030 A 57 LYS HA H 1 4.084 0.030 A 57 LYS HBx H 1 1.980 0.030 A 57 LYS HBy H 1 2.074 0.030 A 57 LYS HD2 H 1 1.762 0.030 A 57 LYS HD3 H 1 1.762 0.030 A 57 LYS HE2 H 1 3.024 0.030 A 57 LYS HE3 H 1 3.024 0.030 A 57 LYS HGx H 1 1.588 0.030 A 57 LYS HGy H 1 1.860 0.030 A 57 LYS C C 13 179.358 0.300 A 57 LYS CA C 13 59.974 0.300 A 57 LYS CB C 13 32.501 0.300 A 57 LYS CD C 13 29.877 0.300 A 57 LYS CE C 13 42.123 0.300 A 57 LYS CG C 13 26.014 0.300 A 57 LYS N N 15 117.704 0.300 A 58 ALA H H 1 7.701 0.030 A 58 ALA HA H 1 4.171 0.030 A 58 ALA HB% H 1 1.526 0.030 A 58 ALA C C 13 180.708 0.300 A 58 ALA CA C 13 55.111 0.300 A 58 ALA CB C 13 17.548 0.300 A 58 ALA N N 15 122.736 0.300 A 59 ILE H H 1 7.547 0.030 A 59 ILE HA H 1 3.673 0.030 A 59 ILE HB H 1 1.887 0.030 A 59 ILE HD1% H 1 0.356 0.030 A 59 ILE HG1x H 1 0.279 0.030 A 59 ILE HG1y H 1 1.649 0.030 A 59 ILE HG2% H 1 0.761 0.030 A 59 ILE C C 13 177.728 0.300 A 59 ILE CA C 13 63.978 0.300 A 59 ILE CB C 13 37.813 0.300 A 59 ILE CD1 C 13 14.807 0.300 A 59 ILE CG1 C 13 28.005 0.300 A 59 ILE CG2 C 13 18.205 0.300 A 59 ILE N N 15 117.672 0.300 A 61 ALA H H 1 7.233 0.030 A 61 ALA HA H 1 3.042 0.030 A 61 ALA HB% H 1 1.187 0.030 A 61 ALA C C 13 176.697 0.300 A 61 ALA CA C 13 55.812 0.300 A 61 ALA CB C 13 18.234 0.300 A 61 ALA N N 15 120.147 0.300 A 62 ASP H H 1 7.615 0.030 A 62 ASP HA H 1 4.933 0.030 A 62 ASP HBy H 1 2.811 0.030 A 62 ASP HBx H 1 2.503 0.030 A 62 ASP C C 13 172.960 0.300 A 62 ASP CA C 13 51.124 0.300 A 62 ASP CB C 13 41.384 0.300 A 62 ASP N N 15 115.735 0.300 A 63 PRO HA H 1 4.446 0.030 A 63 PRO HBy H 1 2.459 0.030 A 63 PRO HBx H 1 1.971 0.030 A 63 PRO HDy H 1 3.911 0.030 A 63 PRO HDx H 1 3.566 0.030 A 63 PRO HGx H 1 2.051 0.030 A 63 PRO HGy H 1 2.099 0.030 A 63 PRO C C 13 179.157 0.300 A 63 PRO CA C 13 64.399 0.300 A 63 PRO CB C 13 32.260 0.300 A 63 PRO CD C 13 50.494 0.300 A 63 PRO CG C 13 27.051 0.300 A 64 ASN H H 1 8.094 0.030 A 64 ASN HA H 1 4.552 0.030 A 64 ASN HBx H 1 2.830 0.030 A 64 ASN HBy H 1 2.977 0.030 A 64 ASN HD2y H 1 7.987 0.030 A 64 ASN HD2x H 1 7.042 0.030 A 64 ASN C C 13 176.867 0.300 A 64 ASN CA C 13 55.321 0.300 A 64 ASN CB C 13 37.901 0.300 A 64 ASN N N 15 115.566 0.300 A 64 ASN ND2 N 15 115.034 0.300 A 65 LYS H H 1 8.185 0.030 A 65 LYS HA H 1 4.178 0.030 A 65 LYS HBx H 1 1.677 0.030 A 65 LYS HBy H 1 1.761 0.030 A 65 LYS HD2 H 1 1.552 0.030 A 65 LYS HD3 H 1 1.552 0.030 A 65 LYS HE2 H 1 2.943 0.030 A 65 LYS HE3 H 1 2.943 0.030 A 65 LYS HGx H 1 1.329 0.030 A 65 LYS HGy H 1 1.442 0.030 A 65 LYS C C 13 175.844 0.300 A 65 LYS CA C 13 56.234 0.300 A 65 LYS CB C 13 32.877 0.300 A 65 LYS CD C 13 28.644 0.300 A 65 LYS CE C 13 42.206 0.300 A 65 LYS CG C 13 25.471 0.300 A 65 LYS N N 15 118.691 0.300 A 68 GLU H H 1 7.846 0.030 A 68 GLU HA H 1 3.893 0.030 A 68 GLU HBx H 1 1.920 0.030 A 68 GLU HBy H 1 2.018 0.030 A 68 GLU HGx H 1 2.120 0.030 A 68 GLU HGy H 1 2.189 0.030 A 68 GLU C C 13 178.885 0.300 A 68 GLU CA C 13 58.745 0.300 A 68 GLU CB C 13 29.661 0.300 A 68 GLU CG C 13 36.251 0.300 A 68 GLU N N 15 117.486 0.300 A 69 VAL H H 1 7.325 0.030 A 69 VAL HA H 1 3.046 0.030 A 69 VAL HB H 1 1.188 0.030 A 69 VAL HGx% H 1 -0.562 0.030 A 69 VAL HGy% H 1 0.664 0.030 A 69 VAL C C 13 176.618 0.300 A 69 VAL CA C 13 66.453 0.300 A 69 VAL CB C 13 31.039 0.300 A 69 VAL CGx C 13 21.340 0.300 A 69 VAL CGy C 13 22.752 0.300 A 69 VAL N N 15 120.957 0.300 A 70 TYR H H 1 8.483 0.030 A 70 TYR HA H 1 4.175 0.030 A 70 TYR HBy H 1 2.444 0.030 A 70 TYR HBx H 1 2.360 0.030 A 70 TYR HD1 H 1 6.814 0.030 A 70 TYR HD2 H 1 6.814 0.030 A 70 TYR HE1 H 1 6.748 0.030 A 70 TYR HE2 H 1 6.748 0.030 A 70 TYR C C 13 178.493 0.300 A 70 TYR CA C 13 57.481 0.300 A 70 TYR CB C 13 33.863 0.300 A 70 TYR CD1 C 13 131.415 0.300 A 70 TYR CD2 C 13 131.415 0.300 A 70 TYR CE1 C 13 119.339 0.300 A 70 TYR CE2 C 13 119.339 0.300 A 70 TYR N N 15 117.638 0.300 A 71 LYS H H 1 7.754 0.030 A 71 LYS HA H 1 4.214 0.030 A 71 LYS HB2 H 1 1.918 0.030 A 71 LYS HB3 H 1 1.918 0.030 A 71 LYS HD2 H 1 1.709 0.030 A 71 LYS HD3 H 1 1.709 0.030 A 71 LYS HE2 H 1 3.033 0.030 A 71 LYS HE3 H 1 3.033 0.030 A 71 LYS HGx H 1 1.519 0.030 A 71 LYS HGy H 1 1.699 0.030 A 71 LYS C C 13 178.790 0.300 A 71 LYS CA C 13 59.793 0.300 A 71 LYS CB C 13 32.507 0.300 A 71 LYS CD C 13 29.451 0.300 A 71 LYS CE C 13 42.206 0.300 A 71 LYS CG C 13 25.931 0.300 A 71 LYS N N 15 117.283 0.300 A 72 LYS H H 1 7.386 0.030 A 72 LYS HA H 1 4.141 0.030 A 72 LYS HBx H 1 1.887 0.030 A 72 LYS HBy H 1 1.981 0.030 A 72 LYS HD2 H 1 1.577 0.030 A 72 LYS HD3 H 1 1.577 0.030 A 72 LYS HE2 H 1 2.947 0.030 A 72 LYS HE3 H 1 2.947 0.030 A 72 LYS HGx H 1 1.465 0.030 A 72 LYS HGy H 1 1.671 0.030 A 72 LYS C C 13 180.399 0.300 A 72 LYS CA C 13 59.728 0.300 A 72 LYS CB C 13 32.014 0.300 A 72 LYS CD C 13 29.416 0.300 A 72 LYS CE C 13 42.241 0.300 A 72 LYS CG C 13 25.767 0.300 A 72 LYS N N 15 120.053 0.300 A 73 TRP H H 1 8.659 0.030 A 73 TRP HA H 1 4.513 0.030 A 73 TRP HBx H 1 3.106 0.030 A 73 TRP HBy H 1 3.638 0.030 A 73 TRP HD1 H 1 6.985 0.030 A 73 TRP HE1 H 1 9.618 0.030 A 73 TRP HE3 H 1 6.470 0.030 A 73 TRP HH2 H 1 6.685 0.030 A 73 TRP HZ2 H 1 7.373 0.030 A 73 TRP HZ3 H 1 6.707 0.030 A 73 TRP C C 13 177.981 0.300 A 73 TRP CA C 13 57.915 0.300 A 73 TRP CB C 13 29.562 0.300 A 73 TRP CD1 C 13 122.692 0.300 A 73 TRP CE3 C 13 121.120 0.300 A 73 TRP CH2 C 13 123.182 0.300 A 73 TRP CZ2 C 13 114.562 0.300 A 73 TRP CZ3 C 13 121.083 0.300 A 73 TRP N N 15 121.910 0.300 A 73 TRP NE1 N 15 125.142 0.300 A 74 ALA H H 1 9.137 0.030 A 74 ALA HA H 1 4.492 0.030 A 74 ALA HB% H 1 1.805 0.030 A 74 ALA C C 13 182.881 0.300 A 74 ALA CA C 13 55.349 0.300 A 74 ALA CB C 13 18.392 0.300 A 74 ALA N N 15 123.471 0.300 A 75 ASP H H 1 8.804 0.030 A 75 ASP HA H 1 4.464 0.030 A 75 ASP HBy H 1 2.932 0.030 A 75 ASP HBx H 1 2.694 0.030 A 75 ASP C C 13 178.714 0.300 A 75 ASP CA C 13 57.094 0.300 A 75 ASP CB C 13 40.585 0.300 A 75 ASP N N 15 121.896 0.300 A 77 GLY H H 1 7.901 0.030 A 77 GLY HAy H 1 4.071 0.030 A 77 GLY HAx H 1 3.757 0.030 A 77 GLY C C 13 175.407 0.300 A 77 GLY CA C 13 45.189 0.300 A 77 GLY N N 15 107.310 0.300 A 78 TYR H H 1 7.506 0.030 A 78 TYR HA H 1 5.292 0.030 A 78 TYR HBy H 1 2.805 0.030 A 78 TYR HBx H 1 2.729 0.030 A 78 TYR HD1 H 1 6.813 0.030 A 78 TYR HD2 H 1 6.813 0.030 A 78 TYR HE1 H 1 6.648 0.030 A 78 TYR HE2 H 1 6.648 0.030 A 78 TYR C C 13 178.422 0.300 A 78 TYR CA C 13 55.545 0.300 A 78 TYR CB C 13 36.781 0.300 A 78 TYR CD1 C 13 131.673 0.300 A 78 TYR CD2 C 13 131.673 0.300 A 78 TYR CE1 C 13 118.064 0.300 A 78 TYR CE2 C 13 118.064 0.300 A 78 TYR N N 15 117.917 0.300 A 79 THR H H 1 8.957 0.030 A 79 THR HA H 1 4.518 0.030 A 79 THR HB H 1 4.902 0.030 A 79 THR HG2% H 1 1.466 0.030 A 79 THR C C 13 175.648 0.300 A 79 THR CA C 13 60.027 0.300 A 79 THR CB C 13 71.622 0.300 A 79 THR CG2 C 13 21.904 0.300 A 79 THR N N 15 119.420 0.300 A 80 LEU H H 1 9.005 0.030 A 80 LEU HA H 1 4.180 0.030 A 80 LEU HB2 H 1 1.883 0.030 A 80 LEU HB3 H 1 1.883 0.030 A 80 LEU HDx% H 1 0.924 0.030 A 80 LEU HDy% H 1 0.629 0.030 A 80 LEU HG H 1 1.784 0.030 A 80 LEU C C 13 180.085 0.300 A 80 LEU CA C 13 58.913 0.300 A 80 LEU CB C 13 39.653 0.300 A 80 LEU CDy C 13 25.875 0.300 A 80 LEU CDx C 13 23.771 0.300 A 80 LEU CG C 13 26.744 0.300 A 80 LEU N N 15 119.655 0.300 A 81 THR H H 1 8.135 0.030 A 81 THR HA H 1 3.939 0.030 A 81 THR HB H 1 3.997 0.030 A 81 THR HG2% H 1 1.163 0.030 A 81 THR C C 13 177.000 0.300 A 81 THR CA C 13 66.349 0.300 A 81 THR CB C 13 68.591 0.300 A 81 THR CG2 C 13 21.740 0.300 A 81 THR N N 15 115.259 0.300 A 82 GLN H H 1 7.641 0.030 A 82 GLN HA H 1 3.653 0.030 A 82 GLN HBx H 1 1.331 0.030 A 82 GLN HBy H 1 2.102 0.030 A 82 GLN HE2x H 1 6.978 0.030 A 82 GLN HE2y H 1 7.390 0.030 A 82 GLN HGx H 1 2.010 0.030 A 82 GLN HGy H 1 2.185 0.030 A 82 GLN C C 13 178.354 0.300 A 82 GLN CA C 13 58.640 0.300 A 82 GLN CB C 13 28.914 0.300 A 82 GLN CG C 13 34.808 0.300 A 82 GLN N N 15 121.304 0.300 A 82 GLN NE2 N 15 111.161 0.300 A 83 MET H H 1 8.665 0.030 A 83 MET HA H 1 4.425 0.030 A 83 MET HB2 H 1 2.060 0.030 A 83 MET HB3 H 1 2.060 0.030 A 83 MET HE% H 1 0.376 0.030 A 83 MET HGx H 1 2.298 0.030 A 83 MET HGy H 1 2.467 0.030 A 83 MET C C 13 177.906 0.300 A 83 MET CA C 13 55.462 0.300 A 83 MET CB C 13 29.014 0.300 A 83 MET CE C 13 14.426 0.300 A 83 MET CG C 13 31.027 0.300 A 83 MET N N 15 117.464 0.300 A 84 SER H H 1 8.607 0.030 A 84 SER HA H 1 3.689 0.030 A 84 SER HB2 H 1 3.781 0.030 A 84 SER HB3 H 1 3.781 0.030 A 84 SER C C 13 176.666 0.300 A 84 SER CA C 13 61.347 0.300 A 84 SER CB C 13 62.356 0.300 A 84 SER N N 15 114.879 0.300 A 85 ASN H H 1 7.204 0.030 A 85 ASN HA H 1 4.415 0.030 A 85 ASN HBy H 1 2.647 0.030 A 85 ASN HBx H 1 2.587 0.030 A 85 ASN HD2x H 1 6.943 0.030 A 85 ASN HD2y H 1 7.466 0.030 A 85 ASN C C 13 177.997 0.300 A 85 ASN CA C 13 55.953 0.300 A 85 ASN CB C 13 38.260 0.300 A 85 ASN N N 15 117.904 0.300 A 85 ASN ND2 N 15 113.648 0.300 A 86 PHE H H 1 8.367 0.030 A 86 PHE HA H 1 4.428 0.030 A 86 PHE HBy H 1 3.010 0.030 A 86 PHE HBx H 1 2.750 0.030 A 86 PHE HD1 H 1 6.739 0.030 A 86 PHE HD2 H 1 6.739 0.030 A 86 PHE HE1 H 1 6.397 0.030 A 86 PHE HE2 H 1 6.397 0.030 A 86 PHE HZ H 1 6.860 0.030 A 86 PHE C C 13 177.478 0.300 A 86 PHE CA C 13 58.394 0.300 A 86 PHE CB C 13 38.835 0.300 A 86 PHE CD1 C 13 129.907 0.300 A 86 PHE CD2 C 13 129.907 0.300 A 86 PHE CE1 C 13 130.791 0.300 A 86 PHE CE2 C 13 130.791 0.300 A 86 PHE CZ C 13 129.677 0.300 A 86 PHE N N 15 118.316 0.300 A 87 LEU H H 1 7.778 0.030 A 87 LEU HA H 1 4.100 0.030 A 87 LEU HBx H 1 1.594 0.030 A 87 LEU HBy H 1 1.710 0.030 A 87 LEU HDx% H 1 0.871 0.030 A 87 LEU HDy% H 1 0.300 0.030 A 87 LEU HG H 1 1.657 0.030 A 87 LEU C C 13 176.474 0.300 A 87 LEU CA C 13 54.549 0.300 A 87 LEU CB C 13 41.371 0.300 A 87 LEU CDy C 13 26.095 0.300 A 87 LEU CDx C 13 21.766 0.300 A 87 LEU CG C 13 26.074 0.300 A 87 LEU N N 15 112.533 0.300 A 88 LYS H H 1 7.328 0.030 A 88 LYS HA H 1 4.248 0.030 A 88 LYS HBx H 1 1.789 0.030 A 88 LYS HBy H 1 1.887 0.030 A 88 LYS HD2 H 1 1.557 0.030 A 88 LYS HD3 H 1 1.557 0.030 A 88 LYS HE2 H 1 2.759 0.030 A 88 LYS HE3 H 1 2.759 0.030 A 88 LYS HGx H 1 1.382 0.030 A 88 LYS HGy H 1 1.417 0.030 A 88 LYS C C 13 176.594 0.300 A 88 LYS CA C 13 57.674 0.300 A 88 LYS CB C 13 32.671 0.300 A 88 LYS CD C 13 29.137 0.300 A 88 LYS CE C 13 41.877 0.300 A 88 LYS CG C 13 24.698 0.300 A 88 LYS N N 15 119.798 0.300 A 90 LYS H H 1 7.981 0.030 A 90 LYS HA H 1 4.154 0.030 A 90 LYS HB2 H 1 1.922 0.030 A 90 LYS HB3 H 1 1.922 0.030 A 90 LYS HD2 H 1 1.698 0.030 A 90 LYS HD3 H 1 1.698 0.030 A 90 LYS HG2 H 1 1.473 0.030 A 90 LYS HG3 H 1 1.473 0.030 A 90 LYS C C 13 177.472 0.300 A 90 LYS CA C 13 58.394 0.300 A 90 LYS CB C 13 31.767 0.300 A 90 LYS CD C 13 29.451 0.300 A 90 LYS CE C 13 42.288 0.300 A 90 LYS CG C 13 25.109 0.300 A 91 THR H H 1 7.942 0.030 A 91 THR HA H 1 4.342 0.030 A 91 THR HB H 1 4.161 0.030 A 91 THR HG2% H 1 1.169 0.030 A 91 THR C C 13 174.236 0.300 A 91 THR CA C 13 61.203 0.300 A 91 THR CB C 13 69.254 0.300 A 91 THR CG2 C 13 21.575 0.300 A 91 THR N N 15 113.435 0.300 A 92 ALA H H 1 8.603 0.030 A 92 ALA HA H 1 4.178 0.030 A 92 ALA HB% H 1 1.382 0.030 A 92 ALA C C 13 178.710 0.300 A 92 ALA CA C 13 53.583 0.300 A 92 ALA CB C 13 18.081 0.300 A 92 ALA N N 15 129.685 0.300 A 93 GLY H H 1 8.823 0.030 A 93 GLY HA2 H 1 4.009 0.030 A 93 GLY HA3 H 1 4.009 0.030 A 93 GLY C C 13 176.310 0.300 A 93 GLY CA C 13 45.505 0.300 A 93 GLY N N 15 109.919 0.300 A 94 LYS H H 1 7.501 0.030 A 94 LYS HA H 1 3.792 0.030 A 94 LYS HBy H 1 1.663 0.030 A 94 LYS HBx H 1 1.353 0.030 A 94 LYS HD2 H 1 1.460 0.030 A 94 LYS HD3 H 1 1.460 0.030 A 94 LYS HEx H 1 2.774 0.030 A 94 LYS HEy H 1 2.842 0.030 A 94 LYS HGx H 1 0.475 0.030 A 94 LYS HGy H 1 0.904 0.030 A 94 LYS C C 13 177.630 0.300 A 94 LYS CA C 13 59.606 0.300 A 94 LYS CB C 13 33.246 0.300 A 94 LYS CD C 13 29.526 0.300 A 94 LYS CE C 13 42.148 0.300 A 94 LYS CG C 13 24.193 0.300 A 94 LYS N N 15 120.949 0.300 A 95 TYR H H 1 8.670 0.030 A 95 TYR HA H 1 5.047 0.030 A 95 TYR HBy H 1 3.515 0.030 A 95 TYR HBx H 1 2.956 0.030 A 95 TYR HD1 H 1 7.227 0.030 A 95 TYR HD2 H 1 7.227 0.030 A 95 TYR HE1 H 1 6.791 0.030 A 95 TYR HE2 H 1 6.791 0.030 A 95 TYR C C 13 176.649 0.300 A 95 TYR CA C 13 56.936 0.300 A 95 TYR CB C 13 39.000 0.300 A 95 TYR CD1 C 13 133.265 0.300 A 95 TYR CD2 C 13 133.265 0.300 A 95 TYR CE1 C 13 117.695 0.300 A 95 TYR CE2 C 13 117.695 0.300 A 95 TYR N N 15 113.034 0.300 A 96 ASP H H 1 7.756 0.030 A 96 ASP HA H 1 4.329 0.030 A 96 ASP HBy H 1 2.772 0.030 A 96 ASP HBx H 1 2.708 0.030 A 96 ASP C C 13 178.087 0.300 A 96 ASP CA C 13 58.619 0.300 A 96 ASP CB C 13 39.570 0.300 A 96 ASP N N 15 123.097 0.300 A 97 ARG H H 1 8.897 0.030 A 97 ARG HA H 1 4.262 0.030 A 97 ARG HBy H 1 2.019 0.030 A 97 ARG HBx H 1 1.952 0.030 A 97 ARG HD2 H 1 3.292 0.030 A 97 ARG HD3 H 1 3.292 0.030 A 97 ARG HGx H 1 1.745 0.030 A 97 ARG HGy H 1 1.817 0.030 A 97 ARG C C 13 179.927 0.300 A 97 ARG CA C 13 59.746 0.300 A 97 ARG CB C 13 29.794 0.300 A 97 ARG CD C 13 43.603 0.300 A 97 ARG CG C 13 27.493 0.300 A 97 ARG N N 15 118.384 0.300 A 98 VAL H H 1 7.578 0.030 A 98 VAL HA H 1 3.938 0.030 A 98 VAL HB H 1 2.592 0.030 A 98 VAL HGx% H 1 1.454 0.030 A 98 VAL HGy% H 1 1.334 0.030 A 98 VAL C C 13 179.630 0.300 A 98 VAL CA C 13 65.804 0.300 A 98 VAL CB C 13 32.054 0.300 A 98 VAL CGx C 13 22.864 0.300 A 98 VAL CGy C 13 22.876 0.300 A 98 VAL N N 15 119.642 0.300 A 99 TYR H H 1 8.635 0.030 A 99 TYR HA H 1 3.934 0.030 A 99 TYR HBx H 1 2.990 0.030 A 99 TYR HBy H 1 3.205 0.030 A 99 TYR HD1 H 1 6.925 0.030 A 99 TYR HD2 H 1 6.925 0.030 A 99 TYR HE1 H 1 6.894 0.030 A 99 TYR HE2 H 1 6.894 0.030 A 99 TYR C C 13 176.400 0.300 A 99 TYR CA C 13 62.906 0.300 A 99 TYR CB C 13 38.322 0.300 A 99 TYR CD1 C 13 132.251 0.300 A 99 TYR CD2 C 13 132.251 0.300 A 99 TYR CE1 C 13 118.696 0.300 A 99 TYR CE2 C 13 118.696 0.300 A 99 TYR N N 15 122.432 0.300 A 100 ASN H H 1 9.024 0.030 A 100 ASN HA H 1 4.286 0.030 A 100 ASN HBx H 1 2.841 0.030 A 100 ASN HBy H 1 2.959 0.030 A 100 ASN HD2x H 1 7.073 0.030 A 100 ASN HD2y H 1 7.683 0.030 A 100 ASN C C 13 178.488 0.300 A 100 ASN CA C 13 55.856 0.300 A 100 ASN CB C 13 37.849 0.300 A 100 ASN N N 15 117.211 0.300 A 100 ASN ND2 N 15 111.885 0.300 A 101 GLY H H 1 7.908 0.030 A 101 GLY HAx H 1 3.930 0.030 A 101 GLY HAy H 1 4.330 0.030 A 101 GLY C C 13 175.833 0.300 A 101 GLY CA C 13 47.032 0.300 A 101 GLY N N 15 105.413 0.300 A 102 TYR H H 1 7.581 0.030 A 102 TYR HA H 1 3.467 0.030 A 102 TYR HBy H 1 2.982 0.030 A 102 TYR HBx H 1 2.875 0.030 A 102 TYR HD1 H 1 6.699 0.030 A 102 TYR HD2 H 1 6.699 0.030 A 102 TYR HE1 H 1 6.829 0.030 A 102 TYR HE2 H 1 6.829 0.030 A 102 TYR C C 13 176.016 0.300 A 102 TYR CA C 13 59.553 0.300 A 102 TYR CB C 13 37.890 0.300 A 102 TYR CD1 C 13 132.066 0.300 A 102 TYR CD2 C 13 132.066 0.300 A 102 TYR CE1 C 13 118.558 0.300 A 102 TYR CE2 C 13 118.558 0.300 A 102 TYR N N 15 126.373 0.300 A 104 ILE H H 1 7.056 0.030 A 104 ILE HA H 1 3.692 0.030 A 104 ILE HB H 1 1.851 0.030 A 104 ILE HD1% H 1 0.844 0.030 A 104 ILE HG1y H 1 1.603 0.030 A 104 ILE HG1x H 1 1.215 0.030 A 104 ILE HG2% H 1 0.924 0.030 A 104 ILE C C 13 178.703 0.300 A 104 ILE CA C 13 63.837 0.300 A 104 ILE CB C 13 37.932 0.300 A 104 ILE CD1 C 13 12.780 0.300 A 104 ILE CG1 C 13 28.951 0.300 A 104 ILE CG2 C 13 17.368 0.300 A 104 ILE N N 15 116.770 0.300 A 105 HIS H H 1 7.864 0.030 A 105 HIS HA H 1 3.952 0.030 A 105 HIS HBx H 1 2.972 0.030 A 105 HIS HBy H 1 3.152 0.030 A 105 HIS HD2 H 1 6.509 0.030 A 105 HIS HE1 H 1 7.782 0.030 A 105 HIS C C 13 176.974 0.300 A 105 HIS CA C 13 60.150 0.300 A 105 HIS CB C 13 30.524 0.300 A 105 HIS CD2 C 13 121.221 0.300 A 105 HIS CE1 C 13 138.878 0.300 A 105 HIS N N 15 121.324 0.300 A 106 LEU H H 1 7.517 0.030 A 106 LEU HA H 1 3.835 0.030 A 106 LEU HBy H 1 1.391 0.030 A 106 LEU HBx H 1 1.249 0.030 A 106 LEU HDx% H 1 0.475 0.030 A 106 LEU HDy% H 1 0.769 0.030 A 106 LEU HG H 1 1.043 0.030 A 106 LEU C C 13 177.315 0.300 A 106 LEU CA C 13 55.707 0.300 A 106 LEU CB C 13 42.041 0.300 A 106 LEU CDy C 13 25.274 0.300 A 106 LEU CDx C 13 22.030 0.300 A 106 LEU CG C 13 26.211 0.300 A 106 LEU N N 15 115.126 0.300 A 107 ASP H H 1 7.512 0.030 A 107 ASP HA H 1 4.501 0.030 A 107 ASP HBy H 1 2.726 0.030 A 107 ASP HBx H 1 2.500 0.030 A 107 ASP C C 13 175.224 0.300 A 107 ASP CA C 13 54.618 0.300 A 107 ASP CB C 13 40.765 0.300 A 107 ASP N N 15 119.221 0.300 A 108 TYR H H 1 7.468 0.030 A 108 TYR HA H 1 4.248 0.030 A 108 TYR HBy H 1 2.978 0.030 A 108 TYR HBx H 1 2.849 0.030 A 108 TYR HD1 H 1 7.064 0.030 A 108 TYR HD2 H 1 7.064 0.030 A 108 TYR HE1 H 1 6.762 0.030 A 108 TYR HE2 H 1 6.762 0.030 A 108 TYR C C 13 181.026 0.300 A 108 TYR CA C 13 59.658 0.300 A 108 TYR CB C 13 39.000 0.300 A 108 TYR CD1 C 13 133.143 0.300 A 108 TYR CD2 C 13 133.143 0.300 A 108 TYR CE1 C 13 118.142 0.300 A 108 TYR CE2 C 13 118.142 0.300 A 108 TYR N N 15 124.389 0.300 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _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 101 GLY H A 102 TYR H 1.0 . 3.66 2 2 A 102 TYR H A 70 TYR HE% 1.0 . 4.08 3 3 A 102 TYR H A 99 TYR HA 1.0 . 4.19 4 4 A 102 TYR H A 102 TYR HBy 1.0 . 3.57 5 5 A 102 TYR H A 102 TYR HBx 1.0 . 3.57 6 6 A 74 ALA HB% A 77 GLY H 1.0 . 5.02 7 7 A 77 GLY H A 75 ASP H 1.0 . 4.61 8 8 A 77 GLY H A 74 ALA HA 1.0 . 3.99 9 9 A 77 GLY H A 76 LYS HBx 1.0 . 4.39 10 10 A 77 GLY H A 76 LYS HBy 1.0 . 4.39 11 11 A 73 TRP HE1 A 78 TYR HE% 1.0 . 4.50 12 12 A 73 TRP HE1 A 73 TRP HA 1.0 . 4.80 13 13 A 73 TRP HE1 A 55 MET HGy 1.0 . 4.87 14 14 A 73 TRP HE1 A 55 MET HBx 1.0 . 4.15 15 15 A 73 TRP HE1 A 52 VAL HGy% 1.0 . 3.97 16 16 A 73 TRP HE1 A 69 VAL HGx% 1.0 . 4.05 17 17 A 104 ILE HA A 108 TYR H 1.0 . 5.50 18 18 A 108 TYR H A 106 LEU HBy 1.0 . 5.15 19 19 A 108 TYR H A 108 TYR HD% 1.0 . 3.94 20 20 A 108 TYR H A 106 LEU HA 1.0 . 4.48 21 21 A 108 TYR H A 108 TYR HBx 1.0 . 3.19 22 22 A 108 TYR H A 106 LEU HBx 1.0 . 5.15 23 23 A 20 GLN HA A 21 ALA H 1.0 . 3.49 24 24 A 21 ALA H A 21 ALA HB1 1.0 . 3.55 25 25 A 21 ALA H A 20 GLN HBy 1.0 . 4.84 26 26 A 16 ALA H A 16 ALA HB% 1.0 . 3.57 27 27 A 27 ALA H A 27 ALA HB% 1.0 . 3.86 28 28 A 101 GLY H A 100 ASN H 1.0 . 3.92 29 29 A 101 GLY H A 70 TYR HE% 1.0 . 4.77 30 30 A 101 GLY H A 100 ASN HBy 1.0 . 4.15 31 31 A 101 GLY H A 100 ASN HBx 1.0 . 4.15 32 32 A 31 ARG H A 31 ARG HG2 1.0 . 5.33 33 33 A 31 ARG H A 31 ARG HG3 1.0 . 5.33 34 34 A 75 ASP H A 74 ALA H 1.0 . 3.81 35 35 A 74 ALA H A 73 TRP H 1.0 . 3.87 36 36 A 74 ALA H A 102 TYR HE% 1.0 . 3.95 37 37 A 74 ALA H A 70 TYR HA 1.0 . 4.68 38 38 A 74 ALA H A 73 TRP HBx 1.0 . 4.08 39 39 A 74 ALA H A 73 TRP HBy 1.0 . 4.29 40 40 A 32 LEU HA A 33 LEU H 1.0 . 3.19 41 41 A 33 LEU H A 33 LEU HB2 1.0 . 3.59 42 42 A 33 LEU H A 33 LEU HB3 1.0 . 3.59 43 43 A 96 ASP H A 97 ARG H 1.0 . 4.75 44 44 A 96 ASP H A 95 TYR HBy 1.0 . 4.93 45 45 A 96 ASP H A 95 TYR H 1.0 . 3.58 46 46 A 96 ASP H A 96 ASP HBy 1.0 . 3.59 47 47 A 41 THR H A 42 GLU H 1.0 . 4.15 48 48 A 42 GLU H A 41 THR HA 1.0 . 3.45 49 49 A 42 GLU H A 42 GLU HG2 1.0 . 4.69 50 50 A 42 GLU H A 42 GLU HG3 1.0 . 4.69 51 51 A 42 GLU H A 42 GLU HBx 1.0 . 3.98 52 52 A 42 GLU H A 41 THR HG2% 1.0 . 4.64 53 53 A 22 ARG HA A 23 LEU H 1.0 . 3.17 54 54 A 31 ARG HA A 32 LEU H 1.0 . 3.51 55 55 A 32 LEU H A 32 LEU HG 1.0 . 3.21 56 56 A 58 ALA H A 57 LYS HBy 1.0 . 3.92 57 57 A 58 ALA H A 57 LYS HBx 1.0 . 3.92 58 58 A 58 ALA H A 57 LYS H 1.0 . 3.61 59 59 A 23 LEU H A 23 LEU HG 1.0 . 4.05 60 60 A 58 ALA H A 56 ALA H 1.0 . 4.83 61 61 A 100 ASN H A 99 TYR H 1.0 . 3.88 62 62 A 99 TYR H A 99 TYR HD% 1.0 . 4.44 63 63 A 99 TYR H A 96 ASP HA 1.0 . 4.21 64 64 A 99 TYR H A 99 TYR HBy 1.0 . 3.68 65 65 A 99 TYR H A 99 TYR HBx 1.0 . 3.68 66 66 A 99 TYR H A 87 LEU HDx% 1.0 . 4.29 67 67 A 56 ALA H A 59 ILE HD1% 1.0 . 4.84 68 68 A 56 ALA H A 53 LYS HA 1.0 . 4.28 69 69 A 55 MET HBx A 56 ALA H 1.0 . 4.29 70 70 A 56 ALA H A 55 MET HBy 1.0 . 4.54 71 71 A 99 TYR H A 98 VAL HB 1.0 . 3.77 72 72 A 99 TYR H A 98 VAL HGx% 1.0 . 4.26 73 73 A 33 LEU HA A 34 ARG H 1.0 . 3.21 74 74 A 48 GLU H A 48 GLU HGy 1.0 . 4.84 75 75 A 19 LEU H A 19 LEU HB2 1.0 . 4.04 76 76 A 19 LEU H A 19 LEU HB3 1.0 . 4.04 77 77 A 73 TRP H A 70 TYR HA 1.0 . 4.51 78 78 A 73 TRP H A 73 TRP HD1 1.0 . 4.26 79 79 A 73 TRP H A 78 TYR HD% 1.0 . 5.40 80 80 A 73 TRP H A 73 TRP HBx 1.0 . 3.93 81 81 A 73 TRP H A 73 TRP HBy 1.0 . 4.09 82 82 A 73 TRP H A 72 LYS HBy 1.0 . 4.13 83 83 A 73 TRP H A 72 LYS HBx 1.0 . 4.13 84 84 A 43 GLU H A 43 GLU HGx 1.0 . 4.37 85 85 A 43 GLU H A 43 GLU HGy 1.0 . 4.37 86 86 A 51 ALA H A 52 VAL H 1.0 . 3.27 87 87 A 51 ALA H A 48 GLU HA 1.0 . 4.12 88 88 A 52 VAL HGy% A 51 ALA H 1.0 . 4.65 89 89 A 43 GLU H A 42 GLU HA 1.0 . 3.16 90 90 A 46 PHE H A 46 PHE HB2 1.0 . 3.88 91 91 A 46 PHE H A 46 PHE HB3 1.0 . 4.03 92 92 A 47 LEU H A 47 LEU HBy 1.0 . 3.43 93 93 A 47 LEU H A 47 LEU HBx 1.0 . 3.72 94 94 A 44 ARG H A 44 ARG HGy 1.0 . 4.08 95 95 A 47 LEU H A 46 PHE HD% 1.0 . 4.68 96 96 A 46 PHE HB3 A 47 LEU H 1.0 . 3.71 97 97 A 47 LEU H A 47 LEU HG 1.0 . 3.48 98 98 A 47 LEU H A 47 LEU HDx% 1.0 . 4.06 99 99 A 34 ARG HA A 35 VAL H 1.0 . 2.93 100 100 A 35 VAL H A 35 VAL HB 1.0 . 3.70 101 101 A 35 VAL H A 34 ARG HBy 1.0 . 4.57 102 102 A 35 VAL H A 34 ARG HG2 1.0 . 5.50 103 103 A 35 VAL H A 34 ARG HG3 1.0 . 5.50 104 104 A 35 VAL H A 35 VAL HGy% 1.0 . 4.16 105 105 A 102 TYR HA A 105 HIS H 1.0 . 4.06 106 106 A 105 HIS H A 106 LEU H 1.0 . 3.71 107 107 A 105 HIS H A 104 ILE H 1.0 . 3.86 108 108 A 105 HIS H A 105 HIS HBy 1.0 . 3.55 109 109 A 105 HIS H A 105 HIS HBx 1.0 . 3.42 110 110 A 105 HIS H A 104 ILE HB 1.0 . 3.80 111 111 A 79 THR H A 82 GLN H 1.0 . 4.57 112 112 A 82 GLN H A 83 MET H 1.0 . 3.80 113 113 A 82 GLN H A 81 THR H 1.0 . 4.52 114 114 A 82 GLN H A 81 THR HB 1.0 . 3.76 115 115 A 82 GLN H A 82 GLN HBy 1.0 . 4.00 116 116 A 82 GLN H A 82 GLN HBx 1.0 . 4.00 117 117 A 82 GLN H A 81 THR HG2% 1.0 . 4.42 118 118 A 26 GLU H A 25 ASP HB2 1.0 . 5.12 119 119 A 26 GLU H A 25 ASP HB3 1.0 . 5.12 120 120 A 95 TYR H A 94 LYS H 1.0 . 4.38 121 121 A 94 LYS H A 91 THR HB 1.0 . 4.44 122 122 A 94 LYS H A 94 LYS HBy 1.0 . 3.78 123 123 A 94 LYS H A 94 LYS HBx 1.0 . 3.78 124 124 A 94 LYS H A 91 THR HG2% 1.0 . 4.63 125 125 A 69 VAL H A 70 TYR H 1.0 . 3.67 126 126 A 69 VAL H A 68 GLU H 1.0 . 3.52 127 127 A 69 VAL H A 65 LYS HA 1.0 . 4.60 128 128 A 69 VAL H A 68 GLU HBx 1.0 . 3.94 129 129 A 69 VAL H A 69 VAL HB 1.0 . 3.36 130 130 A 59 ILE HD1% A 69 VAL H 1.0 . 4.47 131 131 A 69 VAL HGx% A 69 VAL H 1.0 . 4.14 132 132 A 52 VAL H A 50 ALA HA 1.0 . 5.50 133 133 A 52 VAL HGy% A 52 VAL H 1.0 . 3.18 134 134 A 52 VAL H A 49 LYS HA 1.0 . 4.24 135 135 A 52 VAL H A 52 VAL HB 1.0 . 3.19 136 136 A 65 LYS H A 66 ALA H 1.0 . 3.43 137 137 A 66 ALA H A 64 ASN HA 1.0 . 4.38 138 138 A 66 ALA H A 65 LYS HBx 1.0 . 4.67 139 139 A 66 ALA H A 59 ILE HG2% 1.0 . 4.28 140 140 A 20 GLN H A 20 GLN HG2 1.0 . 5.50 141 141 A 20 GLN H A 20 GLN HG3 1.0 . 5.50 142 142 A 20 GLN H A 19 LEU HG 1.0 . 4.31 143 143 A 50 ALA H A 49 LYS HBx 1.0 . 3.93 144 144 A 73 TRP H A 72 LYS H 1.0 . 3.66 145 145 A 72 LYS H A 71 LYS H 1.0 . 3.48 146 146 A 72 LYS H A 71 LYS HB2 1.0 . 3.40 147 147 A 72 LYS H A 71 LYS HB3 1.0 . 3.83 148 148 A 72 LYS H A 72 LYS HGy 1.0 . 4.25 149 149 A 72 LYS H A 72 LYS HGx 1.0 . 4.25 150 150 A 81 THR H A 80 LEU H 1.0 . 4.82 151 151 A 80 LEU H A 80 LEU HDy% 1.0 . 4.37 152 152 A 56 ALA H A 55 MET H 1.0 . 3.67 153 153 A 55 MET H A 73 TRP HZ2 1.0 . 4.67 154 154 A 55 MET H A 55 MET HGy 1.0 . 3.72 155 155 A 55 MET HBx A 55 MET H 1.0 . 3.63 156 156 A 55 MET HBy A 55 MET H 1.0 . 3.95 157 157 A 95 TYR HA A 98 VAL H 1.0 . 4.70 158 158 A 88 LYS H A 89 SER H 1.0 . 4.53 159 159 A 88 LYS H A 87 LEU H 1.0 . 3.60 160 160 A 88 LYS H A 88 LYS HBy 1.0 . 3.61 161 161 A 88 LYS H A 88 LYS HBx 1.0 . 3.61 162 162 A 88 LYS H A 87 LEU HBy 1.0 . 4.90 163 163 A 88 LYS H A 90 LYS H 1.0 . 5.50 164 164 A 88 LYS H A 85 ASN HA 1.0 . 4.76 165 165 A 88 LYS H A 86 PHE HA 1.0 . 5.10 166 166 A 80 LEU H A 79 THR HB 1.0 . 3.93 167 167 A 80 LEU H A 79 THR HA 1.0 . 3.53 168 168 A 80 LEU H A 80 LEU HG 1.0 . 3.55 169 169 A 80 LEU H A 80 LEU HDx% 1.0 . 4.35 170 170 A 21 ALA HA A 22 ARG H 1.0 . 3.28 171 171 A 97 ARG H A 98 VAL H 1.0 . 4.47 172 172 A 99 TYR H A 98 VAL H 1.0 . 3.60 173 173 A 95 TYR HBy A 98 VAL H 1.0 . 5.50 174 174 A 98 VAL HB A 98 VAL H 1.0 . 3.43 175 175 A 98 VAL H A 97 ARG HBx 1.0 . 4.22 176 176 A 98 VAL HGx% A 98 VAL H 1.0 . 4.09 177 177 A 87 LEU HDx% A 98 VAL H 1.0 . 5.15 178 178 A 79 THR H A 82 GLN HBx 1.0 . 4.32 179 179 A 78 TYR HD% A 79 THR H 1.0 . 4.05 180 180 A 79 THR H A 78 TYR HA 1.0 . 3.35 181 181 A 79 THR H A 82 GLN HBy 1.0 . 4.32 182 182 A 53 LYS H A 54 LYS H 1.0 . 3.66 183 183 A 55 MET H A 54 LYS H 1.0 . 3.48 184 184 A 54 LYS H A 51 ALA HA 1.0 . 3.88 185 185 A 54 LYS H A 53 LYS HB2 1.0 . 3.68 186 186 A 54 LYS H A 54 LYS HGx 1.0 . 4.71 187 187 A 49 LYS HA A 53 LYS H 1.0 . 4.83 188 188 A 52 VAL H A 53 LYS H 1.0 . 3.51 189 189 A 51 ALA H A 53 LYS H 1.0 . 4.97 190 190 A 50 ALA HA A 53 LYS H 1.0 . 4.00 191 191 A 53 LYS H A 53 LYS HGx 1.0 . 4.14 192 192 A 53 LYS H A 52 VAL HGx% 1.0 . 3.94 193 193 A 53 LYS H A 51 ALA HA 1.0 . 4.89 194 194 A 107 ASP H A 107 ASP HBy 1.0 . 3.72 195 195 A 77 GLY H A 76 LYS H 1.0 . 3.41 196 196 A 76 LYS H A 75 ASP HBy 1.0 . 3.84 197 197 A 76 LYS H A 76 LYS HBx 1.0 . 3.61 198 198 A 76 LYS H A 76 LYS HBy 1.0 . 3.61 199 199 A 75 ASP H A 76 LYS H 1.0 . 3.44 200 200 A 76 LYS H A 75 ASP HBx 1.0 . 3.98 201 201 A 74 ALA HB% A 76 LYS H 1.0 . 4.96 202 202 A 76 LYS H A 76 LYS HDx 1.0 . 4.83 203 203 A 76 LYS H A 76 LYS HDy 1.0 . 4.83 204 204 A 60 MET H A 61 ALA H 1.0 . 3.52 205 205 A 61 ALA H A 62 ASP H 1.0 . 3.22 206 206 A 108 TYR HBx A 107 ASP H 1.0 . 5.50 207 207 A 61 ALA H A 60 MET HBx 1.0 . 3.79 208 208 A 65 LYS H A 63 PRO HA 1.0 . 4.48 209 209 A 65 LYS H A 65 LYS HBx 1.0 . 3.70 210 210 A 65 LYS H A 62 ASP HBy 1.0 . 4.88 211 211 A 65 LYS H A 64 ASN HBx 1.0 . 4.90 212 212 A 65 LYS H A 65 LYS HGx 1.0 . 4.00 213 213 A 65 LYS H A 66 ALA HB1 1.0 . 4.74 214 214 A 48 GLU H A 49 LYS H 1.0 . 3.54 215 215 A 49 LYS H A 49 LYS HBx 1.0 . 3.47 216 216 A 49 LYS H A 50 ALA HB% 1.0 . 5.24 217 217 A 49 LYS H A 46 PHE HA 1.0 . 4.44 218 218 A 49 LYS H A 49 LYS HGy 1.0 . 4.80 219 219 A 65 LYS H A 59 ILE HA 1.0 . 4.64 220 220 A 65 LYS H A 64 ASN HBy 1.0 . 4.90 221 221 A 65 LYS H A 65 LYS HGy 1.0 . 4.00 222 222 A 86 PHE H A 86 PHE HBy 1.0 . 3.75 223 223 A 24 ASN H A 23 LEU HBy 1.0 . 4.66 224 224 A 24 ASN H A 23 LEU HBx 1.0 . 4.66 225 225 A 86 PHE H A 86 PHE HD% 1.0 . 4.32 226 226 A 87 LEU H A 86 PHE H 1.0 . 3.72 227 227 A 86 PHE H A 86 PHE HBx 1.0 . 3.64 228 228 A 86 PHE H A 85 ASN HBy 1.0 . 4.00 229 229 A 103 VAL H A 103 VAL HG11 1.0 . 3.90 230 230 A 75 ASP H A 78 TYR H 1.0 . 5.50 231 231 A 77 GLY H A 78 TYR H 1.0 . 3.26 232 232 A 78 TYR HD% A 78 TYR H 1.0 . 3.77 233 233 A 103 VAL H A 102 TYR HD% 1.0 . 4.42 234 234 A 74 ALA HA A 78 TYR H 1.0 . 3.95 235 235 A 103 VAL H A 100 ASN HA 1.0 . 4.28 236 236 A 78 TYR H A 78 TYR HBx 1.0 . 3.80 237 237 A 103 VAL H A 103 VAL HB 1.0 . 3.44 238 238 A 79 THR H A 78 TYR H 1.0 . 4.79 239 239 A 84 SER H A 85 ASN H 1.0 . 3.61 240 240 A 86 PHE H A 85 ASN H 1.0 . 3.60 241 241 A 85 ASN H A 84 SER HB2 1.0 . 4.37 242 242 A 85 ASN H A 84 SER HB3 1.0 . 4.37 243 243 A 85 ASN H A 82 GLN HA 1.0 . 4.31 244 244 A 57 LYS H A 56 ALA H 1.0 . 3.78 245 245 A 57 LYS H A 53 LYS HA 1.0 . 4.94 246 246 A 57 LYS H A 57 LYS HBy 1.0 . 3.66 247 247 A 57 LYS H A 57 LYS HBx 1.0 . 3.66 248 248 A 57 LYS H A 57 LYS HGx 1.0 . 4.13 249 249 A 60 MET H A 59 ILE H 1.0 . 3.58 250 250 A 60 MET H A 60 MET HBx 1.0 . 3.45 251 251 A 60 MET H A 56 ALA HB% 1.0 . 5.06 252 252 A 98 VAL HGx% A 60 MET H 1.0 . 5.50 253 253 A 58 ALA H A 59 ILE H 1.0 . 3.56 254 254 A 59 ILE H A 59 ILE HG1y 1.0 . 3.62 255 255 A 59 ILE HD1% A 59 ILE H 1.0 . 3.99 256 256 A 59 ILE H A 59 ILE HG1x 1.0 . 4.01 257 257 A 59 ILE H A 59 ILE HB 1.0 . 3.49 258 258 A 70 TYR H A 70 TYR HD% 1.0 . 4.14 259 259 A 70 TYR H A 66 ALA HA 1.0 . 4.43 260 260 A 70 TYR H A 70 TYR HBy 1.0 . 3.97 261 261 A 70 TYR H A 69 VAL HB 1.0 . 3.66 262 262 A 69 VAL HGx% A 70 TYR H 1.0 . 4.30 263 263 A 83 MET H A 80 LEU HA 1.0 . 4.30 264 264 A 83 MET H A 83 MET HGy 1.0 . 4.76 265 265 A 83 MET H A 83 MET HGx 1.0 . 4.76 266 266 A 68 GLU H A 67 ASP H 1.0 . 3.55 267 267 A 68 GLU H A 65 LYS HA 1.0 . 4.22 268 268 A 68 GLU H A 67 ASP HBy 1.0 . 4.14 269 269 A 68 GLU H A 66 ALA HB1 1.0 . 5.10 270 270 A 68 GLU H A 69 VAL HB 1.0 . 5.50 271 271 A 102 TYR H A 100 ASN H 1.0 . 5.50 272 272 A 73 TRP H A 71 LYS H 1.0 . 4.79 273 273 A 71 LYS H A 70 TYR HD% 1.0 . 4.66 274 274 A 70 TYR H A 71 LYS H 1.0 . 3.70 275 275 A 71 LYS H A 69 VAL HA 1.0 . 5.45 276 276 A 71 LYS H A 70 TYR HBy 1.0 . 4.15 277 277 A 71 LYS H A 71 LYS HB2 1.0 . 3.03 278 278 A 71 LYS H A 71 LYS HGy 1.0 . 4.48 279 279 A 71 LYS H A 71 LYS HD2 1.0 . 5.08 280 280 A 71 LYS H A 71 LYS HD3 1.0 . 5.08 281 281 A 71 LYS H A 71 LYS HGx 1.0 . 4.48 282 282 A 100 ASN H A 99 TYR HD% 1.0 . 4.09 283 283 A 100 ASN H A 100 ASN HBy 1.0 . 3.77 284 284 A 100 ASN H A 100 ASN HBx 1.0 . 3.77 285 285 A 104 ILE H A 103 VAL H 1.0 . 3.84 286 286 A 104 ILE H A 100 ASN HA 1.0 . 4.68 287 287 A 104 ILE H A 101 GLY HAx 1.0 . 4.52 288 288 A 104 ILE H A 103 VAL HB 1.0 . 3.71 289 289 A 104 ILE H A 104 ILE HG1x 1.0 . 3.70 290 290 A 62 ASP H A 59 ILE HA 1.0 . 4.17 291 291 A 62 ASP H A 62 ASP HBy 1.0 . 4.01 292 292 A 62 ASP H A 62 ASP HBx 1.0 . 4.01 293 293 A 64 ASN H A 63 PRO HBy 1.0 . 4.63 294 294 A 64 ASN H A 62 ASP HA 1.0 . 4.42 295 295 A 64 ASN H A 63 PRO HDy 1.0 . 4.61 296 296 A 64 ASN H A 63 PRO HDx 1.0 . 4.61 297 297 A 64 ASN H A 64 ASN HBy 1.0 . 3.77 298 298 A 64 ASN H A 64 ASN HBx 1.0 . 3.77 299 299 A 64 ASN H A 63 PRO HBx 1.0 . 4.63 300 300 A 106 LEU H A 105 HIS HBy 1.0 . 3.82 301 301 A 106 LEU H A 105 HIS HBx 1.0 . 4.02 302 302 A 106 LEU H A 106 LEU HBy 1.0 . 3.80 303 303 A 106 LEU H A 106 LEU HBx 1.0 . 3.80 304 304 A 84 SER H A 99 TYR HE% 1.0 . 3.64 305 305 A 84 SER H A 80 LEU HA 1.0 . 4.65 306 306 A 84 SER H A 83 MET HB3 1.0 . 3.86 307 307 A 84 SER H A 81 THR HA 1.0 . 4.79 308 308 A 84 SER H A 84 SER HB2 1.0 . 3.72 309 309 A 84 SER H A 84 SER HB3 1.0 . 3.72 310 310 A 66 ALA H A 67 ASP H 1.0 . 3.90 311 311 A 67 ASP H A 67 ASP HBx 1.0 . 3.67 312 312 A 30 THR H A 30 THR HG2% 1.0 . 3.88 313 313 A 41 THR H A 40 ASP H 1.0 . 4.53 314 314 A 41 THR H A 41 THR HB 1.0 . 3.93 315 315 A 41 THR H A 40 ASP HB2 1.0 . 5.12 316 316 A 41 THR H A 40 ASP HB3 1.0 . 5.12 317 317 A 41 THR H A 41 THR HG2% 1.0 . 4.03 318 318 A 81 THR HG2% A 85 ASN HD2x 1.0 . 4.28 319 319 A 90 LYS HB2 A 91 THR H 1.0 . 5.37 320 320 A 91 THR H A 90 LYS HB3 1.0 . 5.37 321 321 A 81 THR HG2% A 85 ASN HD2y 1.0 . 4.28 322 322 A 91 THR HG2% A 91 THR H 1.0 . 4.57 323 323 A 95 TYR H A 95 TYR HD% 1.0 . 4.13 324 324 A 95 TYR HBy A 95 TYR H 1.0 . 3.89 325 325 A 95 TYR H A 94 LYS HBy 1.0 . 4.55 326 326 A 95 TYR H A 94 LYS HBx 1.0 . 4.55 327 327 A 87 LEU H A 83 MET HA 1.0 . 4.50 328 328 A 87 LEU H A 86 PHE HBx 1.0 . 3.97 329 329 A 87 LEU H A 86 PHE HBy 1.0 . 4.25 330 330 A 87 LEU H A 87 LEU HBx 1.0 . 3.37 331 331 A 45 GLY H A 44 ARG HB2 1.0 . 5.50 332 332 A 45 GLY H A 44 ARG HB3 1.0 . 5.50 333 333 A 69 VAL H A 68 GLU HGx 1.0 . 4.59 334 334 A 96 ASP H A 95 TYR HBx 1.0 . 5.09 335 335 A 96 ASP H A 94 LYS HA 1.0 . 5.03 336 336 A 44 ARG H A 43 GLU HGx 1.0 . 5.28 337 337 A 44 ARG H A 43 GLU HGy 1.0 . 5.28 338 338 A 20 GLN H A 19 LEU HB2 1.0 . 5.16 339 339 A 20 GLN H A 19 LEU HB3 1.0 . 5.16 340 340 A 50 ALA H A 47 LEU HA 1.0 . 4.07 341 341 A 48 GLU H A 50 ALA H 1.0 . 4.64 342 342 A 55 MET H A 53 LYS H 1.0 . 4.57 343 343 A 50 ALA H A 51 ALA HB% 1.0 . 5.15 344 344 A 55 MET H A 55 MET HGx 1.0 . 3.72 345 345 A 100 ASN H A 98 VAL H 1.0 . 4.99 346 346 A 98 VAL H A 97 ARG HBy 1.0 . 4.22 347 347 A 46 PHE H A 47 LEU H 1.0 . 4.00 348 348 A 49 LYS H A 49 LYS HBy 1.0 . 3.47 349 349 A 51 ALA H A 53 LYS HB2 1.0 . 5.44 350 350 A 52 VAL H A 53 LYS HB2 1.0 . 5.09 351 351 A 52 VAL H A 52 VAL HGx% 1.0 . 3.82 352 352 A 52 VAL HB A 53 LYS H 1.0 . 3.54 353 353 A 53 LYS H A 53 LYS HGy 1.0 . 4.14 354 354 A 56 ALA H A 54 LYS H 1.0 . 4.73 355 355 A 57 LYS H A 57 LYS HGy 1.0 . 4.13 356 356 A 57 LYS H A 54 LYS HA 1.0 . 4.24 357 357 A 60 MET H A 59 ILE HB 1.0 . 3.75 358 358 A 65 LYS H A 65 LYS HBy 1.0 . 3.70 359 359 A 70 TYR H A 70 TYR HBx 1.0 . 3.97 360 360 A 71 LYS H A 70 TYR HBx 1.0 . 4.15 361 361 A 74 ALA H A 76 LYS H 1.0 . 4.87 362 362 A 77 GLY H A 76 LYS HGx 1.0 . 5.50 363 363 A 77 GLY H A 76 LYS HGy 1.0 . 5.50 364 364 A 78 TYR H A 78 TYR HBy 1.0 . 3.80 365 365 A 80 LEU H A 84 SER H 1.0 . 5.50 366 366 A 82 GLN H A 82 GLN HGy 1.0 . 3.98 367 367 A 82 GLN H A 82 GLN HGx 1.0 . 3.98 368 368 A 83 MET H A 83 MET HB2 1.0 . 3.42 369 369 A 83 MET H A 83 MET HB3 1.0 . 3.74 370 370 A 85 ASN H A 81 THR HA 1.0 . 4.66 371 371 A 85 ASN H A 85 ASN HBy 1.0 . 3.58 372 372 A 87 LEU H A 87 LEU HBy 1.0 . 3.73 373 373 A 87 LEU H A 84 SER HA 1.0 . 4.79 374 374 A 94 LYS H A 94 LYS HD2 1.0 . 5.50 375 375 A 94 LYS H A 94 LYS HD3 1.0 . 5.50 376 376 A 96 ASP H A 96 ASP HBx 1.0 . 3.59 377 377 A 59 ILE HG2% A 61 ALA H 1.0 . 5.05 378 378 A 108 TYR H A 104 ILE HG2% 1.0 . 4.99 379 379 A 73 TRP HE1 A 55 MET H 1.0 . 5.03 380 380 A 73 TRP HE1 A 78 TYR HD% 1.0 . 5.21 381 381 A 73 TRP HE1 A 55 MET HBy 1.0 . 4.36 382 382 A 9 VAL H A 9 VAL HG1% 1.0 . 5.46 383 383 A 9 VAL H A 9 VAL HG2% 1.0 . 5.46 384 384 A 105 HIS H A 102 TYR HD% 1.0 . 5.21 385 385 A 67 ASP H A 67 ASP HBy 1.0 . 3.67 386 386 A 44 ARG H A 44 ARG HGx 1.0 . 4.08 387 387 A 44 ARG H A 43 GLU HB2 1.0 . 4.85 388 388 A 44 ARG H A 43 GLU HB3 1.0 . 4.85 389 389 A 42 GLU H A 42 GLU HBy 1.0 . 3.98 390 390 A 40 ASP H A 39 SER HB2 1.0 . 5.50 391 391 A 40 ASP H A 39 SER HB3 1.0 . 5.50 392 392 A 35 VAL H A 35 VAL HGx% 1.0 . 4.16 393 393 A 26 GLU H A 26 GLU HG2 1.0 . 5.15 394 394 A 26 GLU H A 26 GLU HG3 1.0 . 5.15 395 395 A 21 ALA H A 20 GLN HBx 1.0 . 4.84 396 396 A 19 LEU H A 19 LEU HDx% 1.0 . 5.50 397 397 A 19 LEU H A 19 LEU HDy% 1.0 . 5.50 398 398 A 66 ALA H A 64 ASN H 1.0 . 5.01 399 399 A 35 VAL H A 34 ARG HBx 1.0 . 4.57 400 400 A 73 TRP HE1 A 55 MET HGx 1.0 . 4.87 401 401 A 105 HIS H A 104 ILE HG1y 1.0 . 5.32 402 402 A 73 TRP HE1 A 52 VAL HGx% 1.0 . 4.25 403 403 A 102 TYR H A 73 TRP HZ3 1.0 . 4.79 404 404 A 88 LYS H A 87 LEU HBx 1.0 . 4.10 405 405 A 88 LYS H A 84 SER HA 1.0 . 4.89 406 406 A 91 THR HG2% A 92 ALA H 1.0 . 5.18 407 407 A 88 LYS H A 86 PHE HBy 1.0 . 5.15 408 408 A 88 LYS H A 86 PHE HBx 1.0 . 5.50 409 409 A 66 ALA H A 63 PRO HA 1.0 . 4.60 410 410 A 66 ALA H A 65 LYS HGy 1.0 . 5.15 411 411 A 66 ALA H A 65 LYS HGx 1.0 . 5.15 412 412 A 59 ILE HD1% A 66 ALA H 1.0 . 4.89 413 413 A 47 LEU H A 49 LYS H 1.0 . 4.59 414 414 A 46 PHE H A 45 GLY H 1.0 . 5.12 415 415 A 44 ARG H A 45 GLY H 1.0 . 4.96 416 416 A 48 GLU H A 47 LEU HDx% 1.0 . 5.50 417 417 A 48 GLU H A 46 PHE HB3 1.0 . 5.14 418 418 A 74 ALA H A 72 LYS H 1.0 . 5.04 419 419 A 106 LEU H A 105 HIS HD2 1.0 . 4.96 420 420 A 102 TYR H A 103 VAL H 1.0 . 3.35 421 421 A 68 GLU H A 66 ALA HA 1.0 . 4.87 422 422 A 86 PHE H A 84 SER H 1.0 . 4.52 423 423 A 86 PHE H A 82 GLN HA 1.0 . 5.10 424 424 A 86 PHE H A 84 SER HA 1.0 . 5.50 425 425 A 101 GLY H A 99 TYR H 1.0 . 5.19 426 426 A 101 GLY H A 70 TYR HH 1.0 . 5.08 427 427 A 102 TYR H A 70 TYR HH 1.0 . 5.14 428 428 A 102 TYR H A 104 ILE H 1.0 . 5.11 429 429 A 56 ALA H A 56 ALA HB% 1.0 . 3.19 430 430 A 57 LYS H A 56 ALA HB% 1.0 . 3.52 431 431 A 58 ALA H A 56 ALA HB% 1.0 . 5.26 432 432 A 60 MET H A 61 ALA HB% 1.0 . 5.50 433 433 A 56 ALA HB% A 73 TRP HH2 1.0 . 3.58 434 434 A 53 LYS HA A 56 ALA HB% 1.0 . 3.22 435 435 A 95 TYR HBy A 56 ALA HB% 1.0 . 4.90 436 436 A 55 MET HBx A 56 ALA HB% 1.0 . 4.50 437 437 A 98 VAL HB A 56 ALA HB% 1.0 . 4.65 438 438 A 87 LEU HDx% A 56 ALA HB% 1.0 . 3.80 439 439 A 62 ASP H A 61 ALA HB% 1.0 . 3.33 440 440 A 61 ALA H A 61 ALA HB% 1.0 . 2.93 441 441 A 56 ALA HB% A 60 MET HGy 1.0 . 4.65 442 442 A 21 ALA HB1 A 22 ARG H 1.0 . 4.75 443 443 A 16 ALA HB% A 18 MET HA 1.0 . 4.38 444 444 A 73 TRP H A 55 MET HE% 1.0 . 4.85 445 445 A 73 TRP HE1 A 55 MET HE% 1.0 . 3.87 446 446 A 55 MET H A 55 MET HE% 1.0 . 4.92 447 447 A 72 LYS H A 55 MET HE% 1.0 . 5.42 448 448 A 73 TRP HZ2 A 55 MET HE% 1.0 . 5.50 449 449 A 73 TRP HD1 A 55 MET HE% 1.0 . 3.92 450 450 A 55 MET HE% A 55 MET HA 1.0 . 4.56 451 451 A 55 MET HE% A 72 LYS HA 1.0 . 5.03 452 452 A 55 MET HE% A 52 VAL HA 1.0 . 4.90 453 453 A 73 TRP HBx A 55 MET HE% 1.0 . 5.50 454 454 A 55 MET HE% A 55 MET HGy 1.0 . 3.50 455 455 A 69 VAL HA A 55 MET HE% 1.0 . 3.97 456 456 A 55 MET HE% A 55 MET HGx 1.0 . 3.50 457 457 A 55 MET HE% A 72 LYS HGy 1.0 . 4.42 458 458 A 55 MET HE% A 72 LYS HD2 1.0 . 4.40 459 459 A 55 MET HE% A 72 LYS HD3 1.0 . 4.40 460 460 A 55 MET HE% A 69 VAL HGy% 1.0 . 3.50 461 461 A 69 VAL HGx% A 55 MET HE% 1.0 . 3.26 462 462 A 74 ALA HB% A 74 ALA H 1.0 . 3.17 463 463 A 74 ALA HB% A 75 ASP H 1.0 . 3.51 464 464 A 74 ALA HB% A 102 TYR HE% 1.0 . 3.73 465 465 A 74 ALA HB% A 105 HIS HD2 1.0 . 3.69 466 466 A 74 ALA HB% A 71 LYS HA 1.0 . 3.42 467 467 A 66 ALA HB1 A 59 ILE HA 1.0 . 4.73 468 468 A 66 ALA HB1 A 67 ASP H 1.0 . 3.26 469 469 A 66 ALA H A 66 ALA HB1 1.0 . 3.02 470 470 A 70 TYR HE% A 66 ALA HB1 1.0 . 3.43 471 471 A 63 PRO HA A 66 ALA HB1 1.0 . 4.14 472 472 A 66 ALA HB1 A 67 ASP HA 1.0 . 3.90 473 473 A 66 ALA HB1 A 67 ASP HBx 1.0 . 5.32 474 474 A 66 ALA HB1 A 67 ASP HBy 1.0 . 5.32 475 475 A 66 ALA HB1 A 59 ILE HB 1.0 . 4.52 476 476 A 66 ALA HB1 A 59 ILE HG1y 1.0 . 4.92 477 477 A 59 ILE HD1% A 66 ALA HB1 1.0 . 3.39 478 478 A 66 ALA HB1 A 63 PRO HBx 1.0 . 5.10 479 479 A 59 ILE HG2% A 60 MET H 1.0 . 4.02 480 480 A 59 ILE HG2% A 59 ILE H 1.0 . 3.83 481 481 A 70 TYR HE% A 59 ILE HG2% 1.0 . 4.66 482 482 A 59 ILE HG2% A 63 PRO HA 1.0 . 3.49 483 483 A 59 ILE HG2% A 60 MET HA 1.0 . 3.97 484 484 A 59 ILE HG2% A 59 ILE HA 1.0 . 3.32 485 485 A 59 ILE HG2% A 66 ALA HA 1.0 . 3.63 486 486 A 59 ILE HG2% A 59 ILE HG1y 1.0 . 3.49 487 487 A 59 ILE HG2% A 66 ALA HB1 1.0 . 3.05 488 488 A 53 LYS H A 51 ALA HB% 1.0 . 4.69 489 489 A 52 VAL H A 51 ALA HB% 1.0 . 3.23 490 490 A 51 ALA H A 51 ALA HB% 1.0 . 2.94 491 491 A 48 GLU HA A 51 ALA HB% 1.0 . 3.27 492 492 A 51 ALA HB% A 55 MET HE% 1.0 . 4.63 493 493 A 53 LYS H A 50 ALA HB% 1.0 . 5.01 494 494 A 52 VAL H A 50 ALA HB% 1.0 . 5.24 495 495 A 54 LYS H A 50 ALA HB% 1.0 . 5.50 496 496 A 50 ALA H A 50 ALA HB% 1.0 . 2.90 497 497 A 51 ALA H A 50 ALA HB% 1.0 . 3.23 498 498 A 51 ALA HB% A 55 MET HGy 1.0 . 4.76 499 499 A 51 ALA HB% A 52 VAL HA 1.0 . 4.42 500 500 A 59 ILE HA A 58 ALA HB% 1.0 . 4.77 501 501 A 58 ALA H A 58 ALA HB% 1.0 . 2.96 502 502 A 59 ILE H A 58 ALA HB% 1.0 . 3.47 503 503 A 59 ILE HG2% A 58 ALA HB% 1.0 . 5.19 504 504 A 69 VAL HGy% A 58 ALA HB% 1.0 . 3.93 505 505 A 104 ILE HG2% A 107 ASP HBy 1.0 . 4.69 506 506 A 105 HIS H A 104 ILE HG2% 1.0 . 4.10 507 507 A 106 LEU H A 104 ILE HG2% 1.0 . 5.25 508 508 A 107 ASP H A 104 ILE HG2% 1.0 . 5.45 509 509 A 104 ILE HG2% A 105 HIS HA 1.0 . 4.02 510 510 A 104 ILE HA A 104 ILE HG2% 1.0 . 3.19 511 511 A 108 TYR HBx A 104 ILE HG2% 1.0 . 5.50 512 512 A 104 ILE HG2% A 107 ASP HBx 1.0 . 4.69 513 513 A 104 ILE HG1x A 104 ILE HG2% 1.0 . 3.37 514 514 A 104 ILE HG2% A 104 ILE HG1y 1.0 . 3.27 515 515 A 105 HIS HBx A 104 ILE HG2% 1.0 . 4.86 516 516 A 70 TYR HE% A 101 GLY HAx 1.0 . 4.45 517 517 A 104 ILE HB A 101 GLY HAx 1.0 . 4.23 518 518 A 60 MET H A 60 MET HE1 1.0 . 4.83 519 519 A 60 MET HE1 A 95 TYR HE% 1.0 . 3.70 520 520 A 95 TYR HD% A 60 MET HE1 1.0 . 3.73 521 521 A 95 TYR HA A 60 MET HE1 1.0 . 4.04 522 522 A 60 MET HE1 A 57 LYS HA 1.0 . 4.57 523 523 A 60 MET HE1 A 98 VAL HGy% 1.0 . 3.82 524 524 A 60 MET HE1 A 94 LYS HGy 1.0 . 4.23 525 525 A 60 MET HE1 A 94 LYS HGx 1.0 . 4.23 526 526 A 96 ASP H A 93 GLY HA2 1.0 . 5.50 527 527 A 96 ASP H A 93 GLY HA3 1.0 . 5.50 528 528 A 59 ILE HD1% A 98 VAL HGy% 1.0 . 3.67 529 529 A 59 ILE HD1% A 70 TYR H 1.0 . 4.86 530 530 A 59 ILE HD1% A 56 ALA HA 1.0 . 3.54 531 531 A 59 ILE HD1% A 66 ALA HA 1.0 . 3.32 532 532 A 59 ILE HD1% A 98 VAL HGx% 1.0 . 3.23 533 533 A 59 ILE HD1% A 69 VAL HB 1.0 . 3.17 534 534 A 59 ILE HD1% A 59 ILE HG2% 1.0 . 2.90 535 535 A 69 VAL HGx% A 59 ILE HD1% 1.0 . 3.26 536 536 A 73 TRP HE3 A 83 MET HE% 1.0 . 3.82 537 537 A 83 MET HA A 83 MET HE% 1.0 . 3.67 538 538 A 83 MET HE% A 83 MET HGy 1.0 . 3.84 539 539 A 83 MET HE% A 83 MET HGx 1.0 . 3.84 540 540 A 83 MET HB2 A 83 MET HE% 1.0 . 3.19 541 541 A 52 VAL HGx% A 83 MET HE% 1.0 . 3.11 542 542 A 83 MET H A 83 MET HE% 1.0 . 4.33 543 543 A 78 TYR HD% A 83 MET HE% 1.0 . 3.41 544 544 A 102 TYR HE% A 83 MET HE% 1.0 . 3.68 545 545 A 73 TRP HBx A 83 MET HE% 1.0 . 4.10 546 546 A 59 ILE HD1% A 59 ILE HB 1.0 . 3.12 547 547 A 87 LEU HDx% A 83 MET HE% 1.0 . 4.00 548 548 A 97 ARG HA A 97 ARG HD2 1.0 . 5.48 549 549 A 97 ARG HA A 97 ARG HD3 1.0 . 5.48 550 550 A 44 ARG HA A 44 ARG HD2 1.0 . 5.41 551 551 A 44 ARG HA A 44 ARG HD3 1.0 . 5.41 552 552 A 104 ILE H A 104 ILE HD1% 1.0 . 3.73 553 553 A 101 GLY HAx A 104 ILE HD1% 1.0 . 3.90 554 554 A 104 ILE HA A 104 ILE HD1% 1.0 . 4.09 555 555 A 104 ILE HB A 104 ILE HD1% 1.0 . 3.26 556 556 A 104 ILE HD1% A 101 GLY HAy 1.0 . 4.57 557 557 A 87 LEU HDy% A 53 LYS HEx 1.0 . 4.70 558 558 A 87 LEU HDy% A 53 LYS HEy 1.0 . 4.70 559 559 A 95 TYR HE% A 53 LYS HEy 1.0 . 4.03 560 560 A 87 LEU HA A 53 LYS HEy 1.0 . 4.63 561 561 A 53 LYS HA A 53 LYS HEy 1.0 . 4.85 562 562 A 87 LEU HA A 53 LYS HEx 1.0 . 4.63 563 563 A 53 LYS HA A 53 LYS HEx 1.0 . 4.85 564 564 A 33 LEU H A 32 LEU HB2 1.0 . 4.93 565 565 A 33 LEU H A 32 LEU HB3 1.0 . 4.93 566 566 A 86 PHE HA A 49 LYS HEy 1.0 . 4.81 567 567 A 86 PHE HA A 49 LYS HEx 1.0 . 4.81 568 568 A 95 TYR HE% A 94 LYS HEy 1.0 . 4.50 569 569 A 60 MET HE1 A 94 LYS HEy 1.0 . 5.00 570 570 A 94 LYS HGx A 94 LYS HEy 1.0 . 3.87 571 571 A 95 TYR HE% A 94 LYS HEx 1.0 . 4.50 572 572 A 60 MET HE1 A 94 LYS HEx 1.0 . 5.00 573 573 A 94 LYS HEx A 94 LYS HGy 1.0 . 3.87 574 574 A 94 LYS HGx A 94 LYS HEx 1.0 . 3.87 575 575 A 88 LYS HE2 A 88 LYS HBy 1.0 . 5.38 576 576 A 88 LYS HBy A 88 LYS HE3 1.0 . 5.38 577 577 A 88 LYS HBx A 88 LYS HE2 1.0 . 5.38 578 578 A 88 LYS HBx A 88 LYS HE3 1.0 . 5.38 579 579 A 48 GLU H A 47 LEU HBy 1.0 . 4.41 580 580 A 47 LEU HBy A 43 GLU HA 1.0 . 4.50 581 581 A 48 GLU H A 47 LEU HBx 1.0 . 4.61 582 582 A 65 LYS H A 62 ASP HBx 1.0 . 4.88 583 583 A 62 ASP HBx A 65 LYS HGy 1.0 . 4.60 584 584 A 87 LEU HBx A 87 LEU HDy% 1.0 . 4.13 585 585 A 87 LEU HDx% A 87 LEU HBx 1.0 . 3.72 586 586 A 87 LEU HBy A 87 LEU HDy% 1.0 . 4.20 587 587 A 104 ILE HA A 107 ASP HBy 1.0 . 4.38 588 588 A 68 GLU H A 67 ASP HBx 1.0 . 4.14 589 589 A 104 ILE HA A 107 ASP HBx 1.0 . 4.38 590 590 A 107 ASP H A 107 ASP HBx 1.0 . 3.72 591 591 A 75 ASP H A 75 ASP HBy 1.0 . 3.43 592 592 A 75 ASP H A 75 ASP HBx 1.0 . 3.56 593 593 A 31 ARG H A 30 THR HB 1.0 . 4.63 594 594 A 42 GLU H A 41 THR HB 1.0 . 5.08 595 595 A 91 THR HB A 95 TYR HD% 1.0 . 5.50 596 596 A 91 THR HB A 94 LYS HD2 1.0 . 4.74 597 597 A 91 THR HB A 94 LYS HD3 1.0 . 4.74 598 598 A 91 THR HB A 94 LYS HBx 1.0 . 4.07 599 599 A 87 LEU HBx A 95 TYR HBx 1.0 . 5.00 600 600 A 87 LEU HBy A 95 TYR HBx 1.0 . 4.34 601 601 A 56 ALA HB% A 95 TYR HBx 1.0 . 4.49 602 602 A 98 VAL HB A 95 TYR HBx 1.0 . 4.33 603 603 A 95 TYR HBx A 87 LEU HDy% 1.0 . 4.44 604 604 A 108 TYR H A 108 TYR HBy 1.0 . 3.62 605 605 A 95 TYR HBy A 87 LEU HBy 1.0 . 4.02 606 606 A 95 TYR HBy A 98 VAL HGx% 1.0 . 5.50 607 607 A 46 PHE HB3 A 47 LEU HDx% 1.0 . 5.30 608 608 A 46 PHE HB3 A 47 LEU HDy% 1.0 . 5.50 609 609 A 46 PHE HB3 A 43 GLU HB2 1.0 . 5.11 610 610 A 46 PHE HB3 A 43 GLU HB3 1.0 . 5.11 611 611 A 46 PHE HB3 A 47 LEU HBy 1.0 . 4.44 612 612 A 46 PHE HB3 A 47 LEU HG 1.0 . 4.48 613 613 A 86 PHE HBy A 83 MET HA 1.0 . 4.00 614 614 A 86 PHE H A 85 ASN HBx 1.0 . 4.00 615 615 A 85 ASN H A 85 ASN HBx 1.0 . 3.58 616 616 A 103 VAL HG21 A 102 TYR HBy 1.0 . 5.50 617 617 A 103 VAL HG21 A 102 TYR HBx 1.0 . 5.50 618 618 A 104 ILE H A 104 ILE HB 1.0 . 3.43 619 619 A 104 ILE HB A 101 GLY HAy 1.0 . 5.00 620 620 A 73 TRP HE1 A 52 VAL HA 1.0 . 3.89 621 621 A 55 MET H A 52 VAL HA 1.0 . 4.33 622 622 A 55 MET HBy A 52 VAL HA 1.0 . 5.30 623 623 A 73 TRP HZ2 A 52 VAL HA 1.0 . 3.95 624 624 A 55 MET HBx A 52 VAL HA 1.0 . 4.05 625 625 A 52 VAL HA A 55 MET HGy 1.0 . 4.83 626 626 A 48 GLU HA A 48 GLU HGy 1.0 . 3.94 627 627 A 52 VAL HGy% A 48 GLU HGy 1.0 . 4.52 628 628 A 48 GLU H A 48 GLU HGx 1.0 . 4.84 629 629 A 48 GLU HA A 48 GLU HGx 1.0 . 3.94 630 630 A 52 VAL HGy% A 48 GLU HGx 1.0 . 4.52 631 631 A 80 LEU HDy% A 103 VAL HA 1.0 . 3.19 632 632 A 69 VAL HA A 72 LYS HBy 1.0 . 4.26 633 633 A 69 VAL HA A 72 LYS HGy 1.0 . 4.74 634 634 A 69 VAL HA A 72 LYS HGx 1.0 . 4.74 635 635 A 69 VAL HA A 69 VAL HGy% 1.0 . 3.23 636 636 A 68 GLU H A 68 GLU HGy 1.0 . 4.69 637 637 A 68 GLU HA A 68 GLU HGy 1.0 . 3.94 638 638 A 68 GLU H A 68 GLU HGx 1.0 . 4.69 639 639 A 69 VAL HGy% A 68 GLU HGx 1.0 . 5.38 640 640 A 81 THR HG2% A 81 THR HA 1.0 . 3.30 641 641 A 70 TYR HE% A 98 VAL HA 1.0 . 4.62 642 642 A 59 ILE HD1% A 98 VAL HA 1.0 . 4.73 643 643 A 101 GLY H A 98 VAL HA 1.0 . 4.75 644 644 A 98 VAL HGx% A 98 VAL HA 1.0 . 3.40 645 645 A 59 ILE HG2% A 98 VAL HA 1.0 . 4.41 646 646 A 94 LYS HBy A 89 SER HBx 1.0 . 5.25 647 647 A 95 TYR HD% A 89 SER HBx 1.0 . 4.69 648 648 A 89 SER HBx A 94 LYS HBx 1.0 . 5.25 649 649 A 95 TYR HD% A 89 SER HBy 1.0 . 4.69 650 650 A 95 TYR HE% A 89 SER HBy 1.0 . 4.64 651 651 A 89 SER HBy A 94 LYS HBy 1.0 . 5.25 652 652 A 89 SER HBy A 94 LYS HBx 1.0 . 5.25 653 653 A 55 MET HBy A 69 VAL HGy% 1.0 . 4.35 654 654 A 104 ILE HA A 104 ILE HG1y 1.0 . 3.50 655 655 A 63 PRO HA A 59 ILE HA 1.0 . 4.23 656 656 A 104 ILE HA A 104 ILE HG1x 1.0 . 3.48 657 657 A 59 ILE HA A 59 ILE HG1x 1.0 . 3.90 658 658 A 104 ILE HA A 103 VAL HB 1.0 . 4.74 659 659 A 54 LYS HBx A 55 MET HGy 1.0 . 5.50 660 660 A 54 LYS HBy A 55 MET HGy 1.0 . 5.50 661 661 A 69 VAL HGx% A 55 MET HGy 1.0 . 4.74 662 662 A 54 LYS HBx A 55 MET HGx 1.0 . 5.50 663 663 A 55 MET HGx A 54 LYS HBy 1.0 . 5.50 664 664 A 51 ALA HB% A 55 MET HGx 1.0 . 4.76 665 665 A 69 VAL HGx% A 55 MET HGx 1.0 . 4.74 666 666 A 69 VAL HGy% A 55 MET HGy 1.0 . 4.89 667 667 A 59 ILE HA A 65 LYS HBy 1.0 . 4.23 668 668 A 69 VAL HGy% A 65 LYS HBx 1.0 . 4.35 669 669 A 91 THR HB A 94 LYS HBy 1.0 . 4.07 670 670 A 99 TYR HA A 99 TYR HD% 1.0 . 3.71 671 671 A 99 TYR HA A 73 TRP HZ3 1.0 . 5.19 672 672 A 99 TYR HA A 102 TYR HD% 1.0 . 5.45 673 673 A 99 TYR HA A 87 LEU HDx% 1.0 . 3.85 674 674 A 99 TYR HA A 98 VAL HGx% 1.0 . 4.46 675 675 A 66 ALA H A 65 LYS HBy 1.0 . 4.67 676 676 A 41 THR HA A 41 THR HG2% 1.0 . 3.39 677 677 A 60 MET H A 60 MET HGy 1.0 . 3.76 678 678 A 60 MET H A 60 MET HGx 1.0 . 3.76 679 679 A 57 LYS HA A 60 MET HGx 1.0 . 3.97 680 680 A 98 VAL HGy% A 60 MET HGx 1.0 . 3.75 681 681 A 95 TYR HE% A 60 MET HGx 1.0 . 4.73 682 682 A 71 LYS HB2 A 68 GLU HA 1.0 . 3.60 683 683 A 9 VAL HG1% A 9 VAL HA 1.0 . 4.07 684 684 A 9 VAL HG2% A 9 VAL HA 1.0 . 4.07 685 685 A 57 LYS HA A 60 MET HGy 1.0 . 3.97 686 686 A 56 ALA HB% A 60 MET HGx 1.0 . 4.65 687 687 A 46 PHE HA A 49 LYS HBy 1.0 . 4.39 688 688 A 86 PHE HD% A 49 LYS HBy 1.0 . 4.59 689 689 A 86 PHE HD% A 49 LYS HBx 1.0 . 4.59 690 690 A 53 LYS H A 53 LYS HB2 1.0 . 3.45 691 691 A 30 THR HG2% A 30 THR HA 1.0 . 3.37 692 692 A 35 VAL HA A 35 VAL HGy% 1.0 . 3.30 693 693 A 35 VAL HA A 35 VAL HGx% 1.0 . 3.30 694 694 A 99 TYR HE% A 84 SER HB2 1.0 . 4.50 695 695 A 99 TYR HE% A 84 SER HB3 1.0 . 4.50 696 696 A 95 TYR HBy A 98 VAL HB 1.0 . 4.81 697 697 A 18 MET HA A 18 MET HGx 1.0 . 4.15 698 698 A 66 ALA HB1 A 63 PRO HBy 1.0 . 5.10 699 699 A 69 VAL HA A 72 LYS HBx 1.0 . 4.26 700 700 A 73 TRP HA A 76 LYS HBx 1.0 . 4.79 701 701 A 73 TRP HA A 76 LYS HBy 1.0 . 4.79 702 702 A 76 LYS HEx A 76 LYS HBy 1.0 . 5.50 703 703 A 76 LYS HBy A 76 LYS HEy 1.0 . 5.50 704 704 A 99 TYR HD% A 84 SER HA 1.0 . 4.39 705 705 A 87 LEU HBx A 84 SER HA 1.0 . 4.52 706 706 A 87 LEU HBy A 84 SER HA 1.0 . 4.64 707 707 A 99 TYR HD% A 83 MET HGy 1.0 . 4.41 708 708 A 99 TYR HD% A 83 MET HGx 1.0 . 4.41 709 709 A 87 LEU HDx% A 84 SER HA 1.0 . 4.65 710 710 A 36 HIS HD2 A 36 HIS HBy 1.0 . 3.94 711 711 A 102 TYR HD% A 83 MET HGx 1.0 . 4.26 712 712 A 105 HIS HBx A 102 TYR HD% 1.0 . 4.41 713 713 A 53 LYS HA A 87 LEU HA 1.0 . 5.11 714 714 A 53 LYS HA A 53 LYS HGy 1.0 . 3.87 715 715 A 53 LYS HA A 53 LYS HGx 1.0 . 3.87 716 716 A 46 PHE HA A 49 LYS HBx 1.0 . 4.39 717 717 A 58 ALA H A 54 LYS HA 1.0 . 4.83 718 718 A 54 LYS HA A 57 LYS HD2 1.0 . 5.10 719 719 A 54 LYS HA A 57 LYS HD3 1.0 . 5.10 720 720 A 54 LYS HA A 54 LYS HGy 1.0 . 3.90 721 721 A 86 PHE HD% A 49 LYS HD2 1.0 . 4.84 722 722 A 86 PHE HD% A 49 LYS HD3 1.0 . 4.84 723 723 A 49 LYS H A 49 LYS HD2 1.0 . 5.50 724 724 A 49 LYS H A 49 LYS HD3 1.0 . 5.50 725 725 A 57 LYS H A 57 LYS HD2 1.0 . 5.50 726 726 A 57 LYS H A 57 LYS HD3 1.0 . 5.50 727 727 A 57 LYS HA A 57 LYS HD2 1.0 . 5.50 728 728 A 57 LYS HA A 57 LYS HD3 1.0 . 5.50 729 729 A 50 ALA H A 46 PHE HA 1.0 . 5.48 730 730 A 60 MET H A 57 LYS HA 1.0 . 4.28 731 731 A 59 ILE H A 57 LYS HA 1.0 . 4.65 732 732 A 60 MET HBx A 57 LYS HA 1.0 . 3.45 733 733 A 57 LYS HA A 57 LYS HGy 1.0 . 3.63 734 734 A 57 LYS HA A 57 LYS HGx 1.0 . 3.63 735 735 A 56 ALA HB% A 57 LYS HA 1.0 . 4.03 736 736 A 49 LYS HA A 86 PHE HD% 1.0 . 4.19 737 737 A 49 LYS HA A 86 PHE HA 1.0 . 4.25 738 738 A 49 LYS HA A 86 PHE HE% 1.0 . 4.88 739 739 A 49 LYS HA A 49 LYS HGy 1.0 . 3.95 740 740 A 49 LYS HA A 52 VAL HB 1.0 . 3.86 741 741 A 52 VAL HGy% A 49 LYS HA 1.0 . 4.07 742 742 A 48 GLU H A 48 GLU HBx 1.0 . 4.06 743 743 A 48 GLU H A 48 GLU HBy 1.0 . 4.06 744 744 A 68 GLU H A 68 GLU HBy 1.0 . 3.65 745 745 A 69 VAL H A 68 GLU HBy 1.0 . 3.94 746 746 A 68 GLU H A 68 GLU HBx 1.0 . 3.65 747 747 A 100 ASN H A 97 ARG HA 1.0 . 4.45 748 748 A 108 TYR HD% A 108 TYR HA 1.0 . 3.71 749 749 A 71 LYS HA A 71 LYS HGy 1.0 . 4.11 750 750 A 71 LYS HA A 71 LYS HGx 1.0 . 4.11 751 751 A 75 ASP H A 72 LYS HA 1.0 . 4.18 752 752 A 76 LYS H A 72 LYS HA 1.0 . 4.81 753 753 A 75 ASP HBx A 72 LYS HA 1.0 . 3.85 754 754 A 72 LYS HA A 72 LYS HGy 1.0 . 3.62 755 755 A 94 LYS HA A 94 LYS HD2 1.0 . 4.92 756 756 A 94 LYS HA A 94 LYS HD3 1.0 . 4.92 757 757 A 94 LYS HA A 94 LYS HGy 1.0 . 4.11 758 758 A 94 LYS HA A 94 LYS HGx 1.0 . 4.11 759 759 A 102 TYR HE% A 73 TRP HBx 1.0 . 3.96 760 760 A 73 TRP HBy A 83 MET HE% 1.0 . 4.59 761 761 A 53 LYS HA A 53 LYS HD2 1.0 . 4.80 762 762 A 53 LYS HA A 53 LYS HD3 1.0 . 4.80 763 763 A 87 LEU HDy% A 53 LYS HD2 1.0 . 5.24 764 764 A 87 LEU HDy% A 53 LYS HD3 1.0 . 5.24 765 765 A 53 LYS H A 53 LYS HD2 1.0 . 5.50 766 766 A 53 LYS H A 53 LYS HD3 1.0 . 5.50 767 767 A 69 VAL HA A 72 LYS HD2 1.0 . 4.72 768 768 A 69 VAL HA A 72 LYS HD3 1.0 . 4.72 769 769 A 102 TYR HA A 102 TYR HD% 1.0 . 3.42 770 770 A 102 TYR HA A 105 HIS HBx 1.0 . 4.13 771 771 A 102 TYR HA A 105 HIS HBy 1.0 . 3.85 772 772 A 88 LYS H A 88 LYS HD2 1.0 . 5.50 773 773 A 88 LYS H A 88 LYS HD3 1.0 . 5.50 774 774 A 85 ASN HA A 88 LYS HD2 1.0 . 5.50 775 775 A 85 ASN HA A 88 LYS HD3 1.0 . 5.50 776 776 A 102 TYR HD% A 83 MET HB2 1.0 . 4.67 777 777 A 102 TYR HD% A 83 MET HB3 1.0 . 4.88 778 778 A 104 ILE H A 104 ILE HG1y 1.0 . 3.87 779 779 A 87 LEU HDx% A 83 MET HB2 1.0 . 5.21 780 780 A 87 LEU HDx% A 83 MET HB3 1.0 . 5.50 781 781 A 73 TRP HA A 76 LYS HDx 1.0 . 5.50 782 782 A 73 TRP HA A 76 LYS HDy 1.0 . 5.50 783 783 A 65 LYS HA A 65 LYS HD2 1.0 . 4.25 784 784 A 65 LYS HA A 65 LYS HD3 1.0 . 4.25 785 785 A 65 LYS H A 65 LYS HD2 1.0 . 5.50 786 786 A 65 LYS H A 65 LYS HD3 1.0 . 5.50 787 787 A 76 LYS HA A 76 LYS HDx 1.0 . 3.86 788 788 A 76 LYS HA A 76 LYS HDy 1.0 . 3.86 789 789 A 69 VAL HA A 68 GLU HA 1.0 . 5.23 790 790 A 68 GLU HA A 67 ASP HBx 1.0 . 5.50 791 791 A 68 GLU HA A 67 ASP HBy 1.0 . 5.50 792 792 A 82 GLN HA A 82 GLN HGy 1.0 . 3.91 793 793 A 82 GLN HA A 85 ASN HBy 1.0 . 4.20 794 794 A 82 GLN HA A 82 GLN HGx 1.0 . 3.91 795 795 A 96 ASP HA A 99 TYR HBy 1.0 . 4.24 796 796 A 55 MET HA A 55 MET HGy 1.0 . 3.83 797 797 A 55 MET HA A 69 VAL HGy% 1.0 . 4.18 798 798 A 86 PHE HA A 86 PHE HD% 1.0 . 3.66 799 799 A 86 PHE HA A 49 LYS HD2 1.0 . 4.81 800 800 A 86 PHE HA A 49 LYS HD3 1.0 . 4.81 801 801 A 55 MET HA A 55 MET HGx 1.0 . 3.83 802 802 A 55 MET HA A 58 ALA HB% 1.0 . 3.30 803 803 A 69 VAL HGx% A 55 MET HA 1.0 . 4.55 804 804 A 58 ALA H A 55 MET HA 1.0 . 4.05 805 805 A 70 TYR H A 67 ASP HA 1.0 . 4.27 806 806 A 71 LYS H A 67 ASP HA 1.0 . 4.72 807 807 A 69 VAL H A 67 ASP HA 1.0 . 5.21 808 808 A 90 LYS HA A 90 LYS HD2 1.0 . 5.45 809 809 A 90 LYS HA A 90 LYS HD3 1.0 . 5.45 810 810 A 69 VAL HGx% A 59 ILE HG1y 1.0 . 4.82 811 811 A 58 ALA H A 59 ILE HG1y 1.0 . 5.11 812 812 A 60 MET H A 59 ILE HG1y 1.0 . 5.41 813 813 A 66 ALA HB1 A 59 ILE HG1x 1.0 . 4.47 814 814 A 69 VAL HB A 59 ILE HG1x 1.0 . 5.10 815 815 A 59 ILE HG2% A 59 ILE HG1x 1.0 . 4.05 816 816 A 60 MET HA A 60 MET HGy 1.0 . 3.96 817 817 A 60 MET HA A 60 MET HE1 1.0 . 4.33 818 818 A 60 MET HA A 60 MET HGx 1.0 . 3.96 819 819 A 47 LEU HG A 43 GLU HA 1.0 . 4.15 820 820 A 88 LYS HA A 88 LYS HGx 1.0 . 4.08 821 821 A 88 LYS HA A 88 LYS HGy 1.0 . 4.08 822 822 A 47 LEU HDx% A 43 GLU HA 1.0 . 3.81 823 823 A 46 PHE HD% A 43 GLU HA 1.0 . 4.47 824 824 A 46 PHE HB3 A 43 GLU HA 1.0 . 3.59 825 825 A 70 TYR HA A 73 TRP HBy 1.0 . 4.77 826 826 A 70 TYR HA A 73 TRP HE3 1.0 . 4.69 827 827 A 70 TYR HA A 70 TYR HD% 1.0 . 3.33 828 828 A 70 TYR HA A 73 TRP HBx 1.0 . 4.46 829 829 A 51 ALA H A 47 LEU HA 1.0 . 4.85 830 830 A 47 LEU HG A 47 LEU HA 1.0 . 3.83 831 831 A 50 ALA HB% A 47 LEU HA 1.0 . 3.42 832 832 A 62 ASP HA A 63 PRO HGy 1.0 . 4.52 833 833 A 62 ASP HA A 63 PRO HGx 1.0 . 4.52 834 834 A 33 LEU H A 33 LEU HG 1.0 . 4.25 835 835 A 76 LYS HA A 76 LYS HEx 1.0 . 5.50 836 836 A 76 LYS HA A 76 LYS HEy 1.0 . 5.50 837 837 A 58 ALA H A 57 LYS HGy 1.0 . 5.24 838 838 A 106 LEU H A 106 LEU HG 1.0 . 4.06 839 839 A 87 LEU HDx% A 73 TRP HZ3 1.0 . 4.48 840 840 A 87 LEU HDx% A 95 TYR HBx 1.0 . 4.06 841 841 A 87 LEU HDx% A 83 MET HGy 1.0 . 4.21 842 842 A 87 LEU HDx% A 87 LEU H 1.0 . 3.86 843 843 A 87 LEU HDx% A 86 PHE HBy 1.0 . 4.87 844 844 A 87 LEU HDx% A 98 VAL HB 1.0 . 4.18 845 845 A 87 LEU HDx% A 83 MET HGx 1.0 . 4.21 846 846 A 65 LYS HA A 69 VAL HGy% 1.0 . 4.64 847 847 A 65 LYS HA A 65 LYS HE2 1.0 . 5.22 848 848 A 65 LYS HA A 65 LYS HE3 1.0 . 5.22 849 849 A 65 LYS HA A 65 LYS HGx 1.0 . 3.97 850 850 A 105 HIS HE1 A 71 LYS HGy 1.0 . 4.75 851 851 A 58 ALA H A 57 LYS HGx 1.0 . 5.24 852 852 A 87 LEU HDx% A 73 TRP HZ2 1.0 . 4.67 853 853 A 87 LEU HDx% A 95 TYR HD% 1.0 . 4.71 854 854 A 18 MET HA A 18 MET HGy 1.0 . 4.15 855 855 A 55 MET HE% A 72 LYS HGx 1.0 . 4.42 856 856 A 55 MET H A 54 LYS HGx 1.0 . 4.95 857 857 A 80 LEU HDx% A 103 VAL HA 1.0 . 3.81 858 858 A 86 PHE H A 83 MET HA 1.0 . 4.83 859 859 A 106 LEU HA A 106 LEU HG 1.0 . 3.95 860 860 A 106 LEU HA A 106 LEU HDx% 1.0 . 4.20 861 861 A 59 ILE HB A 66 ALA HA 1.0 . 4.75 862 862 A 69 VAL H A 66 ALA HA 1.0 . 4.77 863 863 A 59 ILE HG1y A 66 ALA HA 1.0 . 4.07 864 864 A 69 VAL HB A 66 ALA HA 1.0 . 3.66 865 865 A 54 LYS H A 54 LYS HGy 1.0 . 4.71 866 866 A 62 ASP HBy A 65 LYS HGy 1.0 . 4.60 867 867 A 72 LYS HA A 72 LYS HGx 1.0 . 3.62 868 868 A 54 LYS HA A 54 LYS HGx 1.0 . 3.90 869 869 A 62 ASP HBy A 65 LYS HGx 1.0 . 4.60 870 870 A 65 LYS HGx A 62 ASP HBx 1.0 . 4.60 871 871 A 47 LEU HDx% A 47 LEU HA 1.0 . 3.92 872 872 A 47 LEU HDx% A 43 GLU HGx 1.0 . 4.52 873 873 A 47 LEU HDx% A 43 GLU HGy 1.0 . 4.52 874 874 A 47 LEU HBy A 47 LEU HDx% 1.0 . 2.92 875 875 A 86 PHE HBx A 83 MET HA 1.0 . 4.72 876 876 A 55 MET H A 54 LYS HGy 1.0 . 4.95 877 877 A 106 LEU H A 106 LEU HDx% 1.0 . 4.12 878 878 A 102 TYR HE% A 106 LEU HDx% 1.0 . 3.87 879 879 A 106 LEU HBy A 106 LEU HDx% 1.0 . 3.40 880 880 A 106 LEU HBx A 106 LEU HDx% 1.0 . 3.40 881 881 A 32 LEU HA A 32 LEU HG 1.0 . 3.25 882 882 A 33 LEU HA A 33 LEU HG 1.0 . 3.44 883 883 A 59 ILE HG1y A 56 ALA HA 1.0 . 4.10 884 884 A 59 ILE HB A 56 ALA HA 1.0 . 3.87 885 885 A 73 TRP HH2 A 56 ALA HA 1.0 . 4.33 886 886 A 86 PHE HA A 49 LYS HGy 1.0 . 4.14 887 887 A 86 PHE HD% A 49 LYS HGx 1.0 . 4.45 888 888 A 86 PHE HA A 49 LYS HGx 1.0 . 4.14 889 889 A 49 LYS H A 49 LYS HGx 1.0 . 4.80 890 890 A 59 ILE H A 56 ALA HA 1.0 . 4.04 891 891 A 50 ALA HA A 54 LYS H 1.0 . 4.53 892 892 A 85 ASN HA A 88 LYS HGx 1.0 . 5.50 893 893 A 85 ASN HA A 88 LYS HGy 1.0 . 5.50 894 894 A 50 ALA HA A 53 LYS HB2 1.0 . 3.51 895 895 A 95 TYR HBy A 87 LEU HA 1.0 . 5.04 896 896 A 87 LEU HDx% A 87 LEU HA 1.0 . 4.00 897 897 A 87 LEU HDy% A 87 LEU HA 1.0 . 3.13 898 898 A 80 LEU HDy% A 102 TYR HD% 1.0 . 3.53 899 899 A 80 LEU HDy% A 80 LEU HA 1.0 . 3.09 900 900 A 80 LEU HDy% A 83 MET HB3 1.0 . 4.20 901 901 A 32 LEU HA A 32 LEU HDy% 1.0 . 4.37 902 902 A 50 ALA H A 47 LEU HDy% 1.0 . 5.44 903 903 A 51 ALA H A 47 LEU HDy% 1.0 . 5.50 904 904 A 47 LEU HBx A 47 LEU HDy% 1.0 . 3.18 905 905 A 47 LEU H A 47 LEU HDy% 1.0 . 4.11 906 906 A 46 PHE HD% A 47 LEU HDy% 1.0 . 3.81 907 907 A 47 LEU HA A 47 LEU HDy% 1.0 . 2.91 908 908 A 47 LEU HBy A 47 LEU HDy% 1.0 . 3.47 909 909 A 50 ALA HB% A 47 LEU HDy% 1.0 . 3.53 910 910 A 104 ILE H A 103 VAL HG21 1.0 . 4.13 911 911 A 102 TYR H A 98 VAL HGx% 1.0 . 4.79 912 912 A 98 VAL HGx% A 73 TRP HZ2 1.0 . 4.40 913 913 A 98 VAL HGx% A 95 TYR HD% 1.0 . 4.78 914 914 A 98 VAL HGx% A 73 TRP HH2 1.0 . 3.14 915 915 A 98 VAL HGx% A 56 ALA HA 1.0 . 3.52 916 916 A 98 VAL HGx% A 102 TYR HBy 1.0 . 5.50 917 917 A 98 VAL HGx% A 102 TYR HBx 1.0 . 5.50 918 918 A 98 VAL HGx% A 59 ILE HB 1.0 . 4.12 919 919 A 87 LEU HDx% A 98 VAL HGx% 1.0 . 3.33 920 920 A 98 VAL HGx% A 59 ILE HG2% 1.0 . 3.25 921 921 A 98 VAL HGx% A 95 TYR HBx 1.0 . 4.69 922 922 A 99 TYR H A 98 VAL HGy% 1.0 . 4.49 923 923 A 60 MET H A 98 VAL HGy% 1.0 . 4.36 924 924 A 98 VAL H A 98 VAL HGy% 1.0 . 3.42 925 925 A 95 TYR HD% A 98 VAL HGy% 1.0 . 3.92 926 926 A 70 TYR HE% A 98 VAL HGy% 1.0 . 5.45 927 927 A 95 TYR HE% A 98 VAL HGy% 1.0 . 5.50 928 928 A 95 TYR HA A 98 VAL HGy% 1.0 . 4.70 929 929 A 98 VAL HGy% A 56 ALA HA 1.0 . 3.67 930 930 A 98 VAL HGy% A 98 VAL HA 1.0 . 3.32 931 931 A 95 TYR HBx A 98 VAL HGy% 1.0 . 4.32 932 932 A 98 VAL HGy% A 60 MET HGy 1.0 . 3.75 933 933 A 60 MET HBx A 98 VAL HGy% 1.0 . 5.50 934 934 A 98 VAL HGy% A 60 MET HBy 1.0 . 5.50 935 935 A 59 ILE HB A 98 VAL HGy% 1.0 . 3.50 936 936 A 59 ILE HG2% A 98 VAL HGy% 1.0 . 3.13 937 937 A 103 VAL H A 103 VAL HG21 1.0 . 3.18 938 938 A 99 TYR HE% A 103 VAL HG21 1.0 . 3.70 939 939 A 100 ASN HA A 103 VAL HG21 1.0 . 3.43 940 940 A 103 VAL HG21 A 103 VAL HA 1.0 . 3.24 941 941 A 70 TYR H A 69 VAL HGy% 1.0 . 4.22 942 942 A 68 GLU H A 69 VAL HGy% 1.0 . 4.58 943 943 A 69 VAL H A 69 VAL HGy% 1.0 . 3.19 944 944 A 66 ALA HA A 69 VAL HGy% 1.0 . 3.47 945 945 A 55 MET HBx A 69 VAL HGy% 1.0 . 4.15 946 946 A 69 VAL HGy% A 65 LYS HBy 1.0 . 4.35 947 947 A 59 ILE HG1y A 69 VAL HGy% 1.0 . 3.53 948 948 A 52 VAL HGy% A 48 GLU HA 1.0 . 4.74 949 949 A 52 VAL HGy% A 53 LYS H 1.0 . 4.25 950 950 A 52 VAL HGy% A 49 LYS H 1.0 . 5.21 951 951 A 52 VAL HGy% A 73 TRP HZ2 1.0 . 5.02 952 952 A 52 VAL HGy% A 86 PHE HD% 1.0 . 4.02 953 953 A 52 VAL HGy% A 86 PHE HE% 1.0 . 4.64 954 954 A 52 VAL HGy% A 52 VAL HA 1.0 . 3.25 955 955 A 52 VAL HGy% A 86 PHE HBx 1.0 . 4.69 956 956 A 52 VAL HGy% A 86 PHE HBy 1.0 . 4.64 957 957 A 52 VAL HGy% A 48 GLU HBx 1.0 . 5.50 958 958 A 52 VAL HGy% A 48 GLU HBy 1.0 . 5.50 959 959 A 52 VAL HGy% A 53 LYS HB2 1.0 . 5.50 960 960 A 52 VAL HGy% A 51 ALA HB% 1.0 . 3.72 961 961 A 52 VAL HGy% A 83 MET HE% 1.0 . 3.62 962 962 A 79 THR H A 79 THR HG2% 1.0 . 3.32 963 963 A 78 TYR HA A 79 THR HG2% 1.0 . 4.24 964 964 A 79 THR HA A 79 THR HG2% 1.0 . 3.39 965 965 A 106 LEU H A 106 LEU HDy% 1.0 . 4.12 966 966 A 102 TYR HE% A 106 LEU HDy% 1.0 . 3.87 967 967 A 106 LEU HA A 106 LEU HDy% 1.0 . 4.20 968 968 A 106 LEU HDy% A 106 LEU HBy 1.0 . 3.40 969 969 A 106 LEU HDy% A 106 LEU HBx 1.0 . 3.40 970 970 A 31 ARG H A 30 THR HG2% 1.0 . 5.07 971 971 A 91 THR HG2% A 94 LYS HA 1.0 . 4.06 972 972 A 81 THR HG2% A 82 GLN HA 1.0 . 4.17 973 973 A 87 LEU H A 87 LEU HDy% 1.0 . 4.29 974 974 A 73 TRP HH2 A 87 LEU HDy% 1.0 . 4.24 975 975 A 95 TYR HBy A 87 LEU HDy% 1.0 . 3.95 976 976 A 86 PHE HBy A 87 LEU HDy% 1.0 . 4.62 977 977 A 56 ALA HB% A 87 LEU HDy% 1.0 . 3.13 978 978 A 53 LYS HA A 87 LEU HDy% 1.0 . 3.73 979 979 A 81 THR HG2% A 85 ASN H 1.0 . 4.94 980 980 A 91 THR HG2% A 91 THR HA 1.0 . 3.27 981 981 A 87 LEU H A 52 VAL HGx% 1.0 . 4.74 982 982 A 52 VAL HGx% A 83 MET HA 1.0 . 4.68 983 983 A 52 VAL HGx% A 86 PHE HBx 1.0 . 3.82 984 984 A 52 VAL HGx% A 86 PHE HBy 1.0 . 3.78 985 985 A 87 LEU HDx% A 52 VAL HGx% 1.0 . 3.59 986 986 A 52 VAL HGx% A 86 PHE HD% 1.0 . 3.84 987 987 A 104 ILE H A 103 VAL HG11 1.0 . 3.81 988 988 A 104 ILE HA A 103 VAL HG11 1.0 . 4.09 989 989 A 103 VAL HG11 A 103 VAL HA 1.0 . 3.18 990 990 A 103 VAL HG11 A 100 ASN HA 1.0 . 4.44 991 991 A 52 VAL HGx% A 87 LEU HA 1.0 . 4.93 992 992 A 49 LYS HA A 52 VAL HGx% 1.0 . 4.80 993 993 A 69 VAL HGx% A 70 TYR HD% 1.0 . 4.41 994 994 A 69 VAL HGx% A 56 ALA HA 1.0 . 4.96 995 995 A 69 VAL HGx% A 70 TYR HA 1.0 . 5.11 996 996 A 69 VAL HGx% A 69 VAL HA 1.0 . 3.45 997 997 A 55 MET HBx A 69 VAL HGx% 1.0 . 4.01 998 998 A 69 VAL HGx% A 55 MET HBy 1.0 . 3.58 999 999 A 62 ASP H A 63 PRO HDy 1.0 . 4.83 1000 1000 A 62 ASP HA A 63 PRO HDy 1.0 . 3.39 1001 1001 A 62 ASP H A 63 PRO HDx 1.0 . 4.83 1002 1002 A 62 ASP HA A 63 PRO HDx 1.0 . 3.39 1003 1003 A 105 HIS HE1 A 71 LYS HE2 1.0 . 5.50 1004 1004 A 105 HIS HE1 A 71 LYS HE3 1.0 . 5.50 1005 1005 A 71 LYS HB2 A 105 HIS HE1 1.0 . 5.50 1006 1006 A 71 LYS HB3 A 105 HIS HE1 1.0 . 5.50 1007 1007 A 95 TYR HA A 95 TYR HD% 1.0 . 3.60 1008 1008 A 95 TYR HD% A 87 LEU HA 1.0 . 4.30 1009 1009 A 95 TYR HD% A 53 LYS HD2 1.0 . 5.50 1010 1010 A 95 TYR HD% A 53 LYS HD3 1.0 . 5.50 1011 1011 A 56 ALA HB% A 95 TYR HD% 1.0 . 3.50 1012 1012 A 95 TYR HD% A 94 LYS HGy 1.0 . 5.29 1013 1013 A 95 TYR HD% A 87 LEU HDy% 1.0 . 4.04 1014 1014 A 99 TYR HD% A 84 SER HB2 1.0 . 5.50 1015 1015 A 99 TYR HD% A 84 SER HB3 1.0 . 5.50 1016 1016 A 99 TYR HD% A 84 SER H 1.0 . 4.77 1017 1017 A 99 TYR HD% A 100 ASN HA 1.0 . 4.01 1018 1018 A 99 TYR HD% A 83 MET HB3 1.0 . 4.23 1019 1019 A 99 TYR HD% A 87 LEU HDx% 1.0 . 3.75 1020 1020 A 102 TYR HD% A 70 TYR HD% 1.0 . 3.41 1021 1021 A 70 TYR HA A 102 TYR HD% 1.0 . 4.29 1022 1022 A 102 TYR HD% A 83 MET HGy 1.0 . 4.26 1023 1023 A 46 PHE HA A 46 PHE HE% 1.0 . 5.15 1024 1024 A 46 PHE HD% A 46 PHE HA 1.0 . 4.10 1025 1025 A 47 LEU HBx A 46 PHE HD% 1.0 . 4.87 1026 1026 A 46 PHE HD% A 47 LEU HDx% 1.0 . 4.38 1027 1027 A 105 HIS HBy A 102 TYR HD% 1.0 . 4.26 1028 1028 A 50 ALA HB% A 46 PHE HE% 1.0 . 4.74 1029 1029 A 47 LEU HDy% A 46 PHE HE% 1.0 . 4.29 1030 1030 A 47 LEU HBy A 46 PHE HE% 1.0 . 5.21 1031 1031 A 46 PHE HD% A 47 LEU HA 1.0 . 4.42 1032 1032 A 46 PHE HD% A 43 GLU HB2 1.0 . 5.50 1033 1033 A 46 PHE HD% A 43 GLU HB3 1.0 . 5.50 1034 1034 A 47 LEU HBy A 46 PHE HD% 1.0 . 4.53 1035 1035 A 46 PHE HD% A 47 LEU HG 1.0 . 4.39 1036 1036 A 46 PHE HD% A 50 ALA HB% 1.0 . 4.67 1037 1037 A 73 TRP HA A 78 TYR HD% 1.0 . 3.79 1038 1038 A 73 TRP HBx A 70 TYR HD% 1.0 . 4.69 1039 1039 A 73 TRP HBx A 78 TYR HD% 1.0 . 4.92 1040 1040 A 78 TYR HD% A 78 TYR HA 1.0 . 3.36 1041 1041 A 73 TRP HBy A 78 TYR HD% 1.0 . 3.73 1042 1042 A 78 TYR HD% A 83 MET HB2 1.0 . 4.91 1043 1043 A 52 VAL HGy% A 78 TYR HD% 1.0 . 4.55 1044 1044 A 70 TYR HD% A 67 ASP HA 1.0 . 3.95 1045 1045 A 98 VAL HGx% A 70 TYR HD% 1.0 . 4.53 1046 1046 A 66 ALA HB1 A 70 TYR HD% 1.0 . 4.66 1047 1047 A 83 MET HB2 A 86 PHE HE% 1.0 . 5.33 1048 1048 A 86 PHE HD% A 83 MET HB2 1.0 . 4.64 1049 1049 A 86 PHE HD% A 83 MET HE% 1.0 . 4.09 1050 1050 A 49 LYS H A 86 PHE HD% 1.0 . 5.29 1051 1051 A 87 LEU H A 86 PHE HD% 1.0 . 5.50 1052 1052 A 86 PHE HD% A 83 MET HA 1.0 . 3.44 1053 1053 A 86 PHE HD% A 49 LYS HGy 1.0 . 4.45 1054 1054 A 87 LEU HDx% A 73 TRP HH2 1.0 . 4.52 1055 1055 A 59 ILE HD1% A 73 TRP HH2 1.0 . 4.33 1056 1056 A 73 TRP HD1 A 78 TYR HD% 1.0 . 4.14 1057 1057 A 73 TRP HA A 73 TRP HD1 1.0 . 3.37 1058 1058 A 52 VAL HGy% A 73 TRP HD1 1.0 . 4.60 1059 1059 A 73 TRP HD1 A 52 VAL HA 1.0 . 5.25 1060 1060 A 59 ILE HD1% A 73 TRP HZ3 1.0 . 4.62 1061 1061 A 98 VAL HGx% A 73 TRP HZ3 1.0 . 4.08 1062 1062 A 98 VAL HGx% A 73 TRP HE3 1.0 . 4.97 1063 1063 A 102 TYR HD% A 73 TRP HE3 1.0 . 3.88 1064 1064 A 36 HIS HD2 A 36 HIS HA 1.0 . 4.92 1065 1065 A 37 HIS HA A 37 HIS HD2 1.0 . 5.41 1066 1066 A 36 HIS HD2 A 36 HIS HBx 1.0 . 3.94 1067 1067 A 70 TYR HE% A 99 TYR HA 1.0 . 5.50 1068 1068 A 70 TYR HE% A 102 TYR HBy 1.0 . 4.51 1069 1069 A 70 TYR HE% A 102 TYR HBx 1.0 . 4.51 1070 1070 A 70 TYR HE% A 59 ILE HD1% 1.0 . 3.90 1071 1071 A 70 TYR HE% A 70 TYR H 1.0 . 4.77 1072 1072 A 70 TYR HE% A 73 TRP HE3 1.0 . 4.53 1073 1073 A 70 TYR HE% A 101 GLY HAy 1.0 . 4.17 1074 1074 A 70 TYR HE% A 67 ASP HA 1.0 . 4.13 1075 1075 A 70 TYR HE% A 98 VAL HGx% 1.0 . 3.46 1076 1076 A 100 ASN HA A 99 TYR HE% 1.0 . 4.93 1077 1077 A 99 TYR HA A 99 TYR HE% 1.0 . 4.65 1078 1078 A 99 TYR HE% A 84 SER HA 1.0 . 4.22 1079 1079 A 80 LEU HDy% A 99 TYR HE% 1.0 . 3.64 1080 1080 A 99 TYR HE% A 83 MET HB3 1.0 . 3.83 1081 1081 A 102 TYR HE% A 83 MET HGx 1.0 . 4.60 1082 1082 A 75 ASP H A 102 TYR HE% 1.0 . 5.50 1083 1083 A 102 TYR HE% A 105 HIS HD2 1.0 . 4.10 1084 1084 A 74 ALA HA A 102 TYR HE% 1.0 . 4.63 1085 1085 A 102 TYR HE% A 70 TYR HA 1.0 . 4.66 1086 1086 A 102 TYR HE% A 80 LEU HA 1.0 . 4.90 1087 1087 A 102 TYR HE% A 73 TRP HBy 1.0 . 4.26 1088 1088 A 102 TYR HE% A 83 MET HGy 1.0 . 4.60 1089 1089 A 102 TYR HE% A 83 MET HB2 1.0 . 4.42 1090 1090 A 102 TYR HE% A 83 MET HB3 1.0 . 4.98 1091 1091 A 95 TYR HE% A 94 LYS HGy 1.0 . 4.86 1092 1092 A 108 TYR HE% A 106 LEU HDy% 1.0 . 4.97 1093 1093 A 95 TYR HE% A 94 LYS HGx 1.0 . 4.86 1094 1094 A 78 TYR HE% A 73 TRP HD1 1.0 . 3.41 1095 1095 A 78 TYR HE% A 78 TYR HA 1.0 . 4.52 1096 1096 A 78 TYR HE% A 73 TRP HA 1.0 . 4.05 1097 1097 A 78 TYR HE% A 73 TRP HBy 1.0 . 4.74 1098 1098 A 78 TYR HE% A 76 LYS HEx 1.0 . 5.50 1099 1099 A 78 TYR HE% A 76 LYS HEy 1.0 . 5.50 1100 1100 A 78 TYR HE% A 48 GLU HGy 1.0 . 4.82 1101 1101 A 78 TYR HE% A 48 GLU HGx 1.0 . 4.82 1102 1102 A 78 TYR HE% A 76 LYS HDx 1.0 . 5.12 1103 1103 A 78 TYR HE% A 76 LYS HDy 1.0 . 5.12 1104 1104 A 78 TYR HE% A 76 LYS HBy 1.0 . 4.35 1105 1105 A 78 TYR HE% A 83 MET HE% 1.0 . 4.58 1106 1106 A 78 TYR HE% A 52 VAL HGy% 1.0 . 3.38 1107 1107 A 95 TYR HE% A 57 LYS HA 1.0 . 3.80 1108 1108 A 95 TYR HE% A 89 SER HBx 1.0 . 4.64 1109 1109 A 95 TYR HE% A 60 MET HGy 1.0 . 4.73 1110 1110 A 95 TYR HE% A 57 LYS HGx 1.0 . 3.92 1111 1111 A 56 ALA HB% A 95 TYR HE% 1.0 . 3.50 1112 1112 A 95 TYR HE% A 53 LYS HEx 1.0 . 4.03 1113 1113 A 56 ALA H A 73 TRP HZ2 1.0 . 4.22 1114 1114 A 73 TRP HZ2 A 55 MET HGy 1.0 . 5.02 1115 1115 A 73 TRP HZ2 A 55 MET HGx 1.0 . 5.02 1116 1116 A 55 MET HBy A 73 TRP HZ2 1.0 . 4.04 1117 1117 A 73 TRP HZ2 A 56 ALA HB% 1.0 . 3.91 1118 1118 A 59 ILE HD1% A 73 TRP HZ2 1.0 . 4.52 1119 1119 A 73 TRP HZ2 A 83 MET HE% 1.0 . 5.16 1120 1120 A 73 TRP HZ2 A 52 VAL HGx% 1.0 . 3.72 1121 1121 A 73 TRP HZ2 A 56 ALA HA 1.0 . 4.64 1122 1122 A 47 LEU HBx A 47 LEU HDx% 1.0 . 3.07 1123 1123 A 75 ASP HBy A 72 LYS HA 1.0 . 3.48 1124 1124 A 69 VAL H A 68 GLU HGy 1.0 . 4.59 1125 1125 A 105 HIS HE1 A 71 LYS HGx 1.0 . 4.75 1126 1126 A 80 LEU HDy% A 103 VAL H 1.0 . 4.30 1127 1127 A 46 PHE HB3 A 47 LEU HA 1.0 . 4.83 1128 1128 A 80 LEU HA A 99 TYR HE% 1.0 . 4.30 1129 1129 A 72 LYS H A 72 LYS HD2 1.0 . 5.50 1130 1130 A 72 LYS H A 72 LYS HD3 1.0 . 5.50 1131 1131 A 49 LYS HA A 49 LYS HGx 1.0 . 3.95 1132 1132 A 59 ILE HA A 66 ALA HA 1.0 . 4.79 1133 1133 A 105 HIS HE1 A 71 LYS HD2 1.0 . 4.77 1134 1134 A 105 HIS HE1 A 71 LYS HD3 1.0 . 4.77 1135 1135 A 108 TYR H A 107 ASP HBx 1.0 . 4.08 1136 1136 A 108 TYR H A 107 ASP HBy 1.0 . 4.08 1137 1137 A 108 TYR HE% A 106 LEU HDx% 1.0 . 4.97 1138 1138 A 78 TYR HE% A 76 LYS HBx 1.0 . 4.35 1139 1139 A 104 ILE HA A 107 ASP H 1.0 . 3.73 1140 1140 A 59 ILE HA A 59 ILE HG1y 1.0 . 3.79 1141 1141 A 59 ILE HA A 65 LYS HBx 1.0 . 4.23 1142 1142 A 59 ILE HD1% A 59 ILE HA 1.0 . 4.05 1143 1143 A 104 ILE H A 104 ILE HG2% 1.0 . 3.89 1144 1144 A 60 MET H A 59 ILE HG1x 1.0 . 5.27 1145 1145 A 59 ILE HG2% A 56 ALA HA 1.0 . 4.36 1146 1146 A 102 TYR HA A 106 LEU H 1.0 . 5.14 1147 1147 A 100 ASN HA A 103 VAL HB 1.0 . 3.79 1148 1148 A 99 TYR HD% A 87 LEU HBy 1.0 . 5.33 1149 1149 A 99 TYR HD% A 87 LEU HBx 1.0 . 4.93 1150 1150 A 96 ASP HA A 99 TYR HBx 1.0 . 4.24 1151 1151 A 95 TYR HBy A 87 LEU HBx 1.0 . 4.19 1152 1152 A 95 TYR HBy A 87 LEU HDx% 1.0 . 4.26 1153 1153 A 87 LEU HBy A 95 TYR HD% 1.0 . 4.00 1154 1154 A 98 VAL HB A 95 TYR HD% 1.0 . 4.53 1155 1155 A 95 TYR HD% A 60 MET HGy 1.0 . 4.63 1156 1156 A 95 TYR HD% A 60 MET HGx 1.0 . 4.63 1157 1157 A 95 TYR HE% A 53 LYS HD2 1.0 . 4.82 1158 1158 A 95 TYR HE% A 53 LYS HD3 1.0 . 4.82 1159 1159 A 95 TYR HE% A 57 LYS HGy 1.0 . 3.92 1160 1160 A 57 LYS H A 95 TYR HE% 1.0 . 4.62 1161 1161 A 94 LYS HEy A 94 LYS HGy 1.0 . 3.87 1162 1162 A 88 LYS HA A 88 LYS HD2 1.0 . 5.50 1163 1163 A 88 LYS HA A 88 LYS HD3 1.0 . 5.50 1164 1164 A 87 LEU H A 87 LEU HG 1.0 . 4.20 1165 1165 A 95 TYR HE% A 87 LEU HDy% 1.0 . 4.46 1166 1166 A 102 TYR HD% A 83 MET HE% 1.0 . 3.27 1167 1167 A 82 GLN HA A 85 ASN HBx 1.0 . 4.20 1168 1168 A 80 LEU HDx% A 80 LEU HA 1.0 . 4.17 1169 1169 A 102 TYR HE% A 80 LEU HDy% 1.0 . 3.94 1170 1170 A 75 ASP HBx A 76 LYS HA 1.0 . 4.97 1171 1171 A 76 LYS HBx A 76 LYS HEx 1.0 . 5.50 1172 1172 A 76 LYS HBx A 76 LYS HEy 1.0 . 5.50 1173 1173 A 73 TRP HA A 76 LYS HGx 1.0 . 5.04 1174 1174 A 73 TRP HA A 76 LYS HGy 1.0 . 5.04 1175 1175 A 70 TYR HD% A 73 TRP HE3 1.0 . 3.92 1176 1176 A 55 MET HBx A 73 TRP HZ2 1.0 . 3.79 1177 1177 A 69 VAL HGx% A 73 TRP HH2 1.0 . 4.96 1178 1178 A 71 LYS HA A 105 HIS HE1 1.0 . 4.24 1179 1179 A 74 ALA H A 71 LYS HA 1.0 . 4.47 1180 1180 A 72 LYS H A 69 VAL HA 1.0 . 4.03 1181 1181 A 69 VAL HGx% A 73 TRP HZ3 1.0 . 4.80 1182 1182 A 71 LYS H A 68 GLU HA 1.0 . 4.17 1183 1183 A 69 VAL HGy% A 68 GLU HGy 1.0 . 5.38 1184 1184 A 59 ILE HG1x A 66 ALA HA 1.0 . 3.82 1185 1185 A 59 ILE HG1x A 56 ALA HA 1.0 . 4.60 1186 1186 A 53 LYS HA A 52 VAL HGx% 1.0 . 4.39 1187 1187 A 52 VAL HA A 55 MET HGx 1.0 . 4.83 1188 1188 A 52 VAL HGx% A 52 VAL HA 1.0 . 3.35 1189 1189 A 52 VAL HGx% A 73 TRP HH2 1.0 . 4.61 1190 1190 A 50 ALA H A 49 LYS HBy 1.0 . 3.93 1191 1191 A 57 LYS H A 57 LYS HE2 1.0 . 5.50 1192 1192 A 57 LYS H A 57 LYS HE3 1.0 . 5.50 1193 1193 A 52 VAL H A 48 GLU HA 1.0 . 4.77 1194 1194 A 34 ARG HA A 34 ARG HD2 1.0 . 5.50 1195 1195 A 34 ARG HA A 34 ARG HD3 1.0 . 5.50 1196 1196 A 32 LEU HA A 32 LEU HDx% 1.0 . 4.37 1197 1197 A 105 HIS HBy A 70 TYR HD% 1.0 . 5.33 1198 1198 A 102 TYR HE% A 105 HIS HBy 1.0 . 5.50 1199 1199 A 105 HIS HBx A 70 TYR HD% 1.0 . 4.82 1200 1200 A 69 VAL HGx% A 73 TRP HZ2 1.0 . 3.95 1201 1201 A 69 VAL HGy% A 55 MET HGx 1.0 . 4.89 1202 1202 A 86 PHE HBx A 87 LEU HA 1.0 . 5.48 1203 1203 A 59 ILE HD1% A 69 VAL HGy% 1.0 . 3.52 1204 1204 A 52 VAL HGx% A 87 LEU HG 1.0 . 4.12 1205 1205 A 74 ALA HB% A 75 ASP HBy 1.0 . 4.50 1206 1206 A 102 TYR HA A 70 TYR HD% 1.0 . 4.27 1207 1207 A 95 TYR HD% A 94 LYS HGx 1.0 . 5.29 1208 1208 A 70 TYR HE% A 69 VAL HGx% 1.0 . 4.81 1209 1209 A 52 VAL HGy% A 86 PHE HZ 1.0 . 4.96 1210 1210 A 69 VAL HGx% A 73 TRP HD1 1.0 . 5.00 1211 1211 A 91 THR HB A 94 LYS HA 1.0 . 4.61 1212 1212 A 68 GLU HA A 68 GLU HGx 1.0 . 3.94 1213 1213 A 65 LYS HA A 65 LYS HGy 1.0 . 3.97 1214 1214 A 106 LEU HA A 105 HIS HD2 1.0 . 4.77 1215 1215 A 106 LEU HA A 108 TYR HE% 1.0 . 4.87 1216 1216 A 102 TYR H A 102 TYR HD% 1.0 . 4.70 1217 1217 A 102 TYR HD% A 80 LEU HA 1.0 . 4.60 1218 1218 A 80 LEU HDx% A 80 LEU HB2 1.0 . 3.72 1219 1219 A 80 LEU HDx% A 80 LEU HB3 1.0 . 3.72 1220 1220 A 102 TYR HE% A 102 TYR HA 1.0 . 5.02 1221 1221 A 102 TYR HE% A 78 TYR H 1.0 . 5.50 1222 1222 A 102 TYR HE% A 106 LEU H 1.0 . 5.50 1223 1223 A 102 TYR HD% A 106 LEU HDx% 1.0 . 5.05 1224 1224 A 102 TYR HD% A 106 LEU HDy% 1.0 . 5.05 1225 1225 A 73 TRP H A 102 TYR HE% 1.0 . 5.50 1226 1226 A 102 TYR HE% A 83 MET H 1.0 . 5.50 1227 1227 A 71 LYS HA A 71 LYS HD2 1.0 . 5.26 1228 1228 A 71 LYS HA A 71 LYS HD3 1.0 . 5.26 1229 1229 A 99 TYR HD% A 103 VAL HG21 1.0 . 3.54 1230 1230 A 103 VAL HG11 A 104 ILE HG1y 1.0 . 4.62 1231 1231 A 103 VAL HG11 A 104 ILE HG1x 1.0 . 3.56 1232 1232 A 80 LEU HA A 84 SER HA 1.0 . 5.50 1233 1233 A 103 VAL HA A 106 LEU HG 1.0 . 5.50 1234 1234 A 105 HIS HBy A 106 LEU HG 1.0 . 5.50 1235 1235 A 105 HIS HD2 A 106 LEU HG 1.0 . 4.89 1236 1236 A 18 MET H A 18 MET HBy 1.0 . 3.39 1237 1236 A 18 MET H A 18 MET HBx 1.0 . 3.39 1238 1237 A 19 LEU H A 18 MET HBy 1.0 . 4.37 1239 1237 A 19 LEU H A 18 MET HBx 1.0 . 4.37 1240 1238 A 19 LEU HA A 18 MET HBy 1.0 . 4.30 1241 1238 A 18 MET HBx A 19 LEU HA 1.0 . 4.30 1242 1239 A 19 LEU H A 19 LEU HB2 1.0 . 3.53 1243 1239 A 19 LEU H A 19 LEU HB3 1.0 . 3.53 1244 1240 A 19 LEU H A 19 LEU HDx% 1.0 . 4.64 1245 1240 A 19 LEU H A 19 LEU HDy% 1.0 . 4.64 1246 1241 A 19 LEU HA A 19 LEU HDx% 1.0 . 3.53 1247 1241 A 19 LEU HA A 19 LEU HDy% 1.0 . 3.53 1248 1242 A 20 GLN H A 19 LEU HB2 1.0 . 4.44 1249 1242 A 20 GLN H A 19 LEU HB3 1.0 . 4.44 1250 1243 A 20 GLN H A 19 LEU HDx% 1.0 . 5.37 1251 1243 A 20 GLN H A 19 LEU HDy% 1.0 . 5.37 1252 1244 A 20 GLN HA A 19 LEU HDx% 1.0 . 4.31 1253 1244 A 20 GLN HA A 19 LEU HDy% 1.0 . 4.31 1254 1245 A 20 GLN H A 20 GLN HBy 1.0 . 3.56 1255 1245 A 20 GLN H A 20 GLN HBx 1.0 . 3.56 1256 1246 A 20 GLN H A 20 GLN HG2 1.0 . 4.68 1257 1246 A 20 GLN H A 20 GLN HG3 1.0 . 4.68 1258 1247 A 20 GLN HA A 20 GLN HG2 1.0 . 3.71 1259 1247 A 20 GLN HA A 20 GLN HG3 1.0 . 3.71 1260 1248 A 20 GLN HBy A 20 GLN HG2 1.0 . 2.33 1261 1248 A 20 GLN HBx A 20 GLN HG2 1.0 . 2.33 1262 1248 A 20 GLN HG3 A 20 GLN HBy 1.0 . 2.33 1263 1248 A 20 GLN HBx A 20 GLN HG3 1.0 . 2.33 1264 1249 A 21 ALA H A 20 GLN HBy 1.0 . 4.18 1265 1249 A 21 ALA H A 20 GLN HBx 1.0 . 4.18 1266 1250 A 22 ARG H A 22 ARG HBx 1.0 . 3.41 1267 1250 A 22 ARG H A 22 ARG HBy 1.0 . 3.41 1268 1251 A 22 ARG HA A 22 ARG HD2 1.0 . 5.17 1269 1251 A 22 ARG HA A 22 ARG HD3 1.0 . 5.17 1270 1252 A 23 LEU H A 22 ARG HBx 1.0 . 4.29 1271 1252 A 23 LEU H A 22 ARG HBy 1.0 . 4.29 1272 1253 A 23 LEU H A 23 LEU HBy 1.0 . 3.39 1273 1253 A 23 LEU H A 23 LEU HBx 1.0 . 3.39 1274 1254 A 23 LEU H A 23 LEU HDx% 1.0 . 4.60 1275 1254 A 23 LEU H A 23 LEU HDy% 1.0 . 4.60 1276 1255 A 23 LEU HA A 23 LEU HDx% 1.0 . 3.59 1277 1255 A 23 LEU HDy% A 23 LEU HA 1.0 . 3.59 1278 1256 A 24 ASN H A 23 LEU HBy 1.0 . 4.05 1279 1256 A 24 ASN H A 23 LEU HBx 1.0 . 4.05 1280 1257 A 24 ASN HBy A 24 ASN HD2y 1.0 . 3.19 1281 1257 A 24 ASN HBx A 24 ASN HD2y 1.0 . 3.19 1282 1257 A 24 ASN HD2x A 24 ASN HBx 1.0 . 3.19 1283 1257 A 24 ASN HBy A 24 ASN HD2x 1.0 . 3.19 1284 1258 A 26 GLU H A 25 ASP HB3 1.0 . 4.42 1285 1258 A 26 GLU H A 25 ASP HB2 1.0 . 4.42 1286 1259 A 26 GLU H A 26 GLU HBx 1.0 . 3.52 1287 1259 A 26 GLU H A 26 GLU HBy 1.0 . 3.52 1288 1260 A 26 GLU H A 26 GLU HG3 1.0 . 4.40 1289 1260 A 26 GLU H A 26 GLU HG2 1.0 . 4.40 1290 1261 A 31 ARG H A 31 ARG HG3 1.0 . 4.57 1291 1261 A 31 ARG H A 31 ARG HG2 1.0 . 4.57 1292 1262 A 31 ARG HA A 31 ARG HG3 1.0 . 3.51 1293 1262 A 31 ARG HA A 31 ARG HG2 1.0 . 3.51 1294 1263 A 31 ARG HB2 A 31 ARG HG3 1.0 . 2.31 1295 1263 A 31 ARG HB3 A 31 ARG HG3 1.0 . 2.31 1296 1263 A 31 ARG HG2 A 31 ARG HB2 1.0 . 2.31 1297 1263 A 31 ARG HG2 A 31 ARG HB3 1.0 . 2.31 1298 1264 A 32 LEU H A 32 LEU HDx% 1.0 . 4.96 1299 1264 A 32 LEU H A 32 LEU HDy% 1.0 . 4.96 1300 1265 A 32 LEU HA A 32 LEU HDx% 1.0 . 2.86 1301 1265 A 32 LEU HA A 32 LEU HDy% 1.0 . 2.86 1302 1266 A 33 LEU H A 32 LEU HB2 1.0 . 4.29 1303 1266 A 33 LEU H A 32 LEU HB3 1.0 . 4.29 1304 1267 A 33 LEU H A 32 LEU HDx% 1.0 . 4.73 1305 1267 A 33 LEU H A 32 LEU HDy% 1.0 . 4.73 1306 1268 A 33 LEU H A 33 LEU HB2 1.0 . 3.00 1307 1268 A 33 LEU H A 33 LEU HB3 1.0 . 3.00 1308 1269 A 33 LEU H A 33 LEU HDx% 1.0 . 5.10 1309 1269 A 33 LEU H A 33 LEU HDy% 1.0 . 5.10 1310 1270 A 34 ARG H A 33 LEU HDx% 1.0 . 5.00 1311 1270 A 34 ARG H A 33 LEU HDy% 1.0 . 5.00 1312 1271 A 34 ARG H A 34 ARG HBx 1.0 . 3.46 1313 1271 A 34 ARG H A 34 ARG HBy 1.0 . 3.46 1314 1272 A 34 ARG H A 34 ARG HG3 1.0 . 4.74 1315 1272 A 34 ARG H A 34 ARG HG2 1.0 . 4.74 1316 1273 A 34 ARG HA A 34 ARG HD2 1.0 . 4.71 1317 1273 A 34 ARG HA A 34 ARG HD3 1.0 . 4.71 1318 1274 A 34 ARG HA A 35 VAL HGx% 1.0 . 4.28 1319 1274 A 34 ARG HA A 35 VAL HGy% 1.0 . 4.28 1320 1275 A 34 ARG HBx A 34 ARG HD2 1.0 . 3.31 1321 1275 A 34 ARG HBy A 34 ARG HD2 1.0 . 3.31 1322 1275 A 34 ARG HD3 A 34 ARG HBx 1.0 . 3.31 1323 1275 A 34 ARG HBy A 34 ARG HD3 1.0 . 3.31 1324 1276 A 35 VAL H A 34 ARG HBx 1.0 . 3.88 1325 1276 A 35 VAL H A 34 ARG HBy 1.0 . 3.88 1326 1277 A 35 VAL H A 35 VAL HGx% 1.0 . 3.36 1327 1277 A 35 VAL H A 35 VAL HGy% 1.0 . 3.36 1328 1278 A 36 HIS HD2 A 36 HIS HBy 1.0 . 3.46 1329 1278 A 36 HIS HD2 A 36 HIS HBx 1.0 . 3.46 1330 1279 A 38 GLU HA A 38 GLU HG2 1.0 . 3.69 1331 1279 A 38 GLU HA A 38 GLU HG3 1.0 . 3.69 1332 1280 A 41 THR H A 40 ASP HB3 1.0 . 4.35 1333 1280 A 41 THR H A 40 ASP HB2 1.0 . 4.35 1334 1281 A 42 GLU H A 42 GLU HBx 1.0 . 3.31 1335 1281 A 42 GLU H A 42 GLU HBy 1.0 . 3.31 1336 1282 A 42 GLU H A 42 GLU HG3 1.0 . 3.98 1337 1282 A 42 GLU H A 42 GLU HG2 1.0 . 3.98 1338 1283 A 43 GLU H A 42 GLU HBx 1.0 . 4.25 1339 1283 A 43 GLU H A 42 GLU HBy 1.0 . 4.25 1340 1284 A 43 GLU H A 43 GLU HB2 1.0 . 3.08 1341 1284 A 43 GLU H A 43 GLU HB3 1.0 . 3.08 1342 1285 A 43 GLU H A 43 GLU HGy 1.0 . 3.77 1343 1285 A 43 GLU H A 43 GLU HGx 1.0 . 3.77 1344 1286 A 44 ARG H A 43 GLU HB2 1.0 . 4.21 1345 1286 A 44 ARG H A 43 GLU HB3 1.0 . 4.21 1346 1287 A 46 PHE HB3 A 43 GLU HB2 1.0 . 4.27 1347 1287 A 46 PHE HB3 A 43 GLU HB3 1.0 . 4.27 1348 1288 A 46 PHE HD% A 43 GLU HB2 1.0 . 4.70 1349 1288 A 46 PHE HD% A 43 GLU HB3 1.0 . 4.70 1350 1289 A 47 LEU HBx A 43 GLU HB2 1.0 . 5.34 1351 1289 A 47 LEU HBx A 43 GLU HB3 1.0 . 5.34 1352 1290 A 44 ARG H A 43 GLU HGy 1.0 . 4.59 1353 1290 A 44 ARG H A 43 GLU HGx 1.0 . 4.59 1354 1291 A 46 PHE HB3 A 43 GLU HGy 1.0 . 4.59 1355 1291 A 46 PHE HB3 A 43 GLU HGx 1.0 . 4.59 1356 1292 A 47 LEU HDx% A 43 GLU HGy 1.0 . 3.87 1357 1292 A 47 LEU HDx% A 43 GLU HGx 1.0 . 3.87 1358 1293 A 44 ARG H A 44 ARG HB2 1.0 . 3.53 1359 1293 A 44 ARG H A 44 ARG HB3 1.0 . 3.53 1360 1294 A 44 ARG H A 44 ARG HD2 1.0 . 5.32 1361 1294 A 44 ARG H A 44 ARG HD3 1.0 . 5.32 1362 1295 A 44 ARG HA A 44 ARG HD2 1.0 . 4.63 1363 1295 A 44 ARG HA A 44 ARG HD3 1.0 . 4.63 1364 1296 A 44 ARG HB2 A 44 ARG HD2 1.0 . 3.29 1365 1296 A 44 ARG HB3 A 44 ARG HD2 1.0 . 3.29 1366 1296 A 44 ARG HD3 A 44 ARG HB2 1.0 . 3.29 1367 1296 A 44 ARG HB3 A 44 ARG HD3 1.0 . 3.29 1368 1297 A 44 ARG HB2 A 45 GLY HA2 1.0 . 4.76 1369 1297 A 44 ARG HB3 A 45 GLY HA2 1.0 . 4.76 1370 1297 A 45 GLY HA3 A 44 ARG HB2 1.0 . 4.76 1371 1297 A 44 ARG HB3 A 45 GLY HA3 1.0 . 4.76 1372 1298 A 45 GLY HA2 A 48 GLU HBx 1.0 . 3.44 1373 1298 A 45 GLY HA3 A 48 GLU HBx 1.0 . 3.44 1374 1298 A 48 GLU HBy A 45 GLY HA2 1.0 . 3.44 1375 1298 A 45 GLY HA3 A 48 GLU HBy 1.0 . 3.44 1376 1299 A 46 PHE HA A 49 LYS HBx 1.0 . 3.75 1377 1299 A 46 PHE HA A 49 LYS HBy 1.0 . 3.75 1378 1300 A 47 LEU HBx A 48 GLU HBx 1.0 . 5.34 1379 1300 A 47 LEU HBx A 48 GLU HBy 1.0 . 5.34 1380 1301 A 48 GLU H A 48 GLU HBx 1.0 . 3.36 1381 1301 A 48 GLU H A 48 GLU HBy 1.0 . 3.36 1382 1302 A 48 GLU H A 48 GLU HGy 1.0 . 4.10 1383 1302 A 48 GLU H A 48 GLU HGx 1.0 . 4.10 1384 1303 A 48 GLU HA A 48 GLU HGy 1.0 . 3.34 1385 1303 A 48 GLU HA A 48 GLU HGx 1.0 . 3.34 1386 1304 A 49 LYS H A 48 GLU HBx 1.0 . 3.58 1387 1304 A 49 LYS H A 48 GLU HBy 1.0 . 3.58 1388 1305 A 86 PHE HE% A 48 GLU HBx 1.0 . 4.88 1389 1305 A 86 PHE HE% A 48 GLU HBy 1.0 . 4.88 1390 1306 A 49 LYS H A 48 GLU HGy 1.0 . 4.72 1391 1306 A 49 LYS H A 48 GLU HGx 1.0 . 4.72 1392 1307 A 78 TYR HE% A 48 GLU HGy 1.0 . 4.14 1393 1307 A 78 TYR HE% A 48 GLU HGx 1.0 . 4.14 1394 1308 A 86 PHE HZ A 48 GLU HGy 1.0 . 4.57 1395 1308 A 86 PHE HZ A 48 GLU HGx 1.0 . 4.57 1396 1309 A 49 LYS H A 49 LYS HBx 1.0 . 3.00 1397 1309 A 49 LYS H A 49 LYS HBy 1.0 . 3.00 1398 1310 A 49 LYS HBx A 49 LYS HEx 1.0 . 5.04 1399 1310 A 49 LYS HBy A 49 LYS HEx 1.0 . 5.04 1400 1310 A 49 LYS HEy A 49 LYS HBx 1.0 . 5.04 1401 1310 A 49 LYS HBy A 49 LYS HEy 1.0 . 5.04 1402 1311 A 50 ALA H A 49 LYS HBx 1.0 . 3.44 1403 1311 A 50 ALA H A 49 LYS HBy 1.0 . 3.44 1404 1312 A 52 VAL HGy% A 49 LYS HBx 1.0 . 5.34 1405 1312 A 52 VAL HGy% A 49 LYS HBy 1.0 . 5.34 1406 1313 A 86 PHE HD% A 49 LYS HBx 1.0 . 3.91 1407 1313 A 86 PHE HD% A 49 LYS HBy 1.0 . 3.91 1408 1314 A 86 PHE HE% A 49 LYS HBx 1.0 . 5.34 1409 1314 A 86 PHE HE% A 49 LYS HBy 1.0 . 5.34 1410 1315 A 49 LYS HEy A 49 LYS HGx 1.0 . 3.29 1411 1315 A 49 LYS HEx A 49 LYS HGx 1.0 . 3.29 1412 1315 A 49 LYS HGy A 49 LYS HEx 1.0 . 3.29 1413 1315 A 49 LYS HEy A 49 LYS HGy 1.0 . 3.29 1414 1316 A 50 ALA H A 49 LYS HGx 1.0 . 4.36 1415 1316 A 50 ALA H A 49 LYS HGy 1.0 . 4.36 1416 1317 A 50 ALA HA A 49 LYS HGx 1.0 . 4.52 1417 1317 A 50 ALA HA A 49 LYS HGy 1.0 . 4.52 1418 1318 A 86 PHE HA A 49 LYS HGx 1.0 . 3.63 1419 1318 A 86 PHE HA A 49 LYS HGy 1.0 . 3.63 1420 1319 A 86 PHE HBy A 49 LYS HGx 1.0 . 5.20 1421 1319 A 86 PHE HBy A 49 LYS HGy 1.0 . 5.20 1422 1320 A 86 PHE HA A 49 LYS HD3 1.0 . 4.08 1423 1320 A 86 PHE HA A 49 LYS HD2 1.0 . 4.08 1424 1321 A 86 PHE HD% A 49 LYS HD3 1.0 . 4.09 1425 1321 A 86 PHE HD% A 49 LYS HD2 1.0 . 4.09 1426 1322 A 86 PHE HA A 49 LYS HEx 1.0 . 4.03 1427 1322 A 86 PHE HA A 49 LYS HEy 1.0 . 4.03 1428 1323 A 51 ALA H A 54 LYS HBy 1.0 . 5.00 1429 1323 A 51 ALA H A 54 LYS HBx 1.0 . 5.00 1430 1324 A 51 ALA HA A 54 LYS HBy 1.0 . 3.33 1431 1324 A 51 ALA HA A 54 LYS HBx 1.0 . 3.33 1432 1325 A 51 ALA HB% A 54 LYS HBy 1.0 . 4.54 1433 1325 A 51 ALA HB% A 54 LYS HBx 1.0 . 4.54 1434 1326 A 51 ALA HB% A 55 MET HGy 1.0 . 4.00 1435 1326 A 51 ALA HB% A 55 MET HGx 1.0 . 4.00 1436 1327 A 52 VAL H A 54 LYS HBy 1.0 . 5.20 1437 1327 A 52 VAL H A 54 LYS HBx 1.0 . 5.20 1438 1328 A 52 VAL HA A 55 MET HGy 1.0 . 4.25 1439 1328 A 52 VAL HA A 55 MET HGx 1.0 . 4.25 1440 1329 A 53 LYS H A 53 LYS HGy 1.0 . 3.63 1441 1329 A 53 LYS H A 53 LYS HGx 1.0 . 3.63 1442 1330 A 53 LYS HA A 53 LYS HD3 1.0 . 4.13 1443 1330 A 53 LYS HA A 53 LYS HD2 1.0 . 4.13 1444 1331 A 53 LYS HA A 53 LYS HEx 1.0 . 4.26 1445 1331 A 53 LYS HA A 53 LYS HEy 1.0 . 4.26 1446 1332 A 53 LYS HB3 A 53 LYS HEx 1.0 . 5.34 1447 1332 A 53 LYS HEy A 53 LYS HB3 1.0 . 5.34 1448 1333 A 54 LYS H A 53 LYS HGy 1.0 . 5.17 1449 1333 A 54 LYS H A 53 LYS HGx 1.0 . 5.17 1450 1334 A 87 LEU HA A 53 LYS HGy 1.0 . 4.59 1451 1334 A 87 LEU HA A 53 LYS HGx 1.0 . 4.59 1452 1335 A 87 LEU HDy% A 53 LYS HGy 1.0 . 3.76 1453 1335 A 87 LEU HDy% A 53 LYS HGx 1.0 . 3.76 1454 1336 A 95 TYR HE% A 53 LYS HGy 1.0 . 5.34 1455 1336 A 95 TYR HE% A 53 LYS HGx 1.0 . 5.34 1456 1337 A 87 LEU HA A 53 LYS HD3 1.0 . 3.69 1457 1337 A 87 LEU HA A 53 LYS HD2 1.0 . 3.69 1458 1338 A 87 LEU HDy% A 53 LYS HD3 1.0 . 4.53 1459 1338 A 87 LEU HDy% A 53 LYS HD2 1.0 . 4.53 1460 1339 A 95 TYR HE% A 53 LYS HD3 1.0 . 4.11 1461 1339 A 95 TYR HE% A 53 LYS HD2 1.0 . 4.11 1462 1340 A 56 ALA HB% A 53 LYS HEx 1.0 . 5.34 1463 1340 A 56 ALA HB% A 53 LYS HEy 1.0 . 5.34 1464 1341 A 87 LEU HA A 53 LYS HEx 1.0 . 4.03 1465 1341 A 87 LEU HA A 53 LYS HEy 1.0 . 4.03 1466 1342 A 87 LEU HDy% A 53 LYS HEx 1.0 . 4.14 1467 1342 A 87 LEU HDy% A 53 LYS HEy 1.0 . 4.14 1468 1343 A 88 LYS H A 53 LYS HEx 1.0 . 5.34 1469 1343 A 88 LYS H A 53 LYS HEy 1.0 . 5.34 1470 1344 A 53 LYS HEy A 89 SER HBx 1.0 . 3.85 1471 1344 A 53 LYS HEx A 89 SER HBx 1.0 . 3.85 1472 1344 A 89 SER HBy A 53 LYS HEx 1.0 . 3.85 1473 1344 A 53 LYS HEy A 89 SER HBy 1.0 . 3.85 1474 1345 A 95 TYR HD% A 53 LYS HEx 1.0 . 4.52 1475 1345 A 95 TYR HD% A 53 LYS HEy 1.0 . 4.52 1476 1346 A 95 TYR HE% A 53 LYS HEx 1.0 . 3.50 1477 1346 A 95 TYR HE% A 53 LYS HEy 1.0 . 3.50 1478 1347 A 54 LYS H A 54 LYS HBy 1.0 . 3.00 1479 1347 A 54 LYS H A 54 LYS HBx 1.0 . 3.00 1480 1348 A 54 LYS H A 54 LYS HGy 1.0 . 3.91 1481 1348 A 54 LYS H A 54 LYS HGx 1.0 . 3.91 1482 1349 A 54 LYS H A 54 LYS HDx 1.0 . 5.34 1483 1349 A 54 LYS H A 54 LYS HDy 1.0 . 5.34 1484 1350 A 54 LYS HA A 54 LYS HGy 1.0 . 3.33 1485 1350 A 54 LYS HA A 54 LYS HGx 1.0 . 3.33 1486 1351 A 54 LYS HA A 57 LYS HBy 1.0 . 3.62 1487 1351 A 54 LYS HA A 57 LYS HBx 1.0 . 3.62 1488 1352 A 54 LYS HA A 57 LYS HGy 1.0 . 4.51 1489 1352 A 54 LYS HA A 57 LYS HGx 1.0 . 4.51 1490 1353 A 54 LYS HA A 57 LYS HD3 1.0 . 4.31 1491 1353 A 54 LYS HA A 57 LYS HD2 1.0 . 4.31 1492 1354 A 54 LYS HA A 57 LYS HE3 1.0 . 5.34 1493 1354 A 54 LYS HA A 57 LYS HE2 1.0 . 5.34 1494 1355 A 54 LYS HBx A 54 LYS HDx 1.0 . 2.91 1495 1355 A 54 LYS HBy A 54 LYS HDx 1.0 . 2.91 1496 1355 A 54 LYS HDy A 54 LYS HBy 1.0 . 2.91 1497 1355 A 54 LYS HBx A 54 LYS HDy 1.0 . 2.91 1498 1356 A 54 LYS HBy A 54 LYS HEx 1.0 . 4.65 1499 1356 A 54 LYS HBx A 54 LYS HEx 1.0 . 4.65 1500 1356 A 54 LYS HEy A 54 LYS HBy 1.0 . 4.65 1501 1356 A 54 LYS HBx A 54 LYS HEy 1.0 . 4.65 1502 1357 A 55 MET H A 54 LYS HBy 1.0 . 3.58 1503 1357 A 55 MET H A 54 LYS HBx 1.0 . 3.58 1504 1358 A 54 LYS HBy A 55 MET HGy 1.0 . 4.15 1505 1358 A 54 LYS HBx A 55 MET HGy 1.0 . 4.15 1506 1358 A 55 MET HGx A 54 LYS HBy 1.0 . 4.15 1507 1358 A 54 LYS HBx A 55 MET HGx 1.0 . 4.15 1508 1359 A 54 LYS HEy A 54 LYS HGy 1.0 . 3.16 1509 1359 A 54 LYS HEx A 54 LYS HGy 1.0 . 3.16 1510 1359 A 54 LYS HGx A 54 LYS HEx 1.0 . 3.16 1511 1359 A 54 LYS HGx A 54 LYS HEy 1.0 . 3.16 1512 1360 A 55 MET H A 54 LYS HGy 1.0 . 4.28 1513 1360 A 55 MET H A 54 LYS HGx 1.0 . 4.28 1514 1361 A 55 MET HA A 55 MET HGy 1.0 . 3.25 1515 1361 A 55 MET HA A 55 MET HGx 1.0 . 3.25 1516 1362 A 69 VAL HGx% A 55 MET HGy 1.0 . 4.10 1517 1362 A 69 VAL HGx% A 55 MET HGx 1.0 . 4.10 1518 1363 A 69 VAL HGy% A 55 MET HGy 1.0 . 4.29 1519 1363 A 69 VAL HGy% A 55 MET HGx 1.0 . 4.29 1520 1364 A 73 TRP HZ2 A 55 MET HGy 1.0 . 4.35 1521 1364 A 73 TRP HZ2 A 55 MET HGx 1.0 . 4.35 1522 1365 A 55 MET HE% A 72 LYS HGy 1.0 . 3.71 1523 1365 A 55 MET HE% A 72 LYS HGx 1.0 . 3.71 1524 1366 A 55 MET HE% A 72 LYS HD3 1.0 . 3.75 1525 1366 A 55 MET HE% A 72 LYS HD2 1.0 . 3.75 1526 1367 A 56 ALA HB% A 60 MET HGy 1.0 . 3.99 1527 1367 A 56 ALA HB% A 60 MET HGx 1.0 . 3.99 1528 1368 A 57 LYS H A 57 LYS HBy 1.0 . 3.17 1529 1368 A 57 LYS H A 57 LYS HBx 1.0 . 3.17 1530 1369 A 57 LYS H A 57 LYS HGy 1.0 . 3.43 1531 1369 A 57 LYS H A 57 LYS HGx 1.0 . 3.43 1532 1370 A 57 LYS H A 57 LYS HD3 1.0 . 4.74 1533 1370 A 57 LYS H A 57 LYS HD2 1.0 . 4.74 1534 1371 A 57 LYS HA A 57 LYS HD3 1.0 . 4.76 1535 1371 A 57 LYS HA A 57 LYS HD2 1.0 . 4.76 1536 1372 A 57 LYS HA A 60 MET HGy 1.0 . 3.43 1537 1372 A 57 LYS HA A 60 MET HGx 1.0 . 3.43 1538 1373 A 57 LYS HBx A 57 LYS HD3 1.0 . 3.33 1539 1373 A 57 LYS HD2 A 57 LYS HBy 1.0 . 3.33 1540 1373 A 57 LYS HBx A 57 LYS HD2 1.0 . 3.33 1541 1373 A 57 LYS HBy A 57 LYS HD3 1.0 . 3.33 1542 1374 A 57 LYS HBx A 57 LYS HE3 1.0 . 4.78 1543 1374 A 57 LYS HBy A 57 LYS HE3 1.0 . 4.78 1544 1374 A 57 LYS HE2 A 57 LYS HBy 1.0 . 4.78 1545 1374 A 57 LYS HBx A 57 LYS HE2 1.0 . 4.78 1546 1375 A 58 ALA HB% A 57 LYS HBy 1.0 . 5.03 1547 1375 A 58 ALA HB% A 57 LYS HBx 1.0 . 5.03 1548 1376 A 58 ALA H A 57 LYS HGy 1.0 . 4.47 1549 1376 A 58 ALA H A 57 LYS HGx 1.0 . 4.47 1550 1377 A 95 TYR HE% A 57 LYS HGy 1.0 . 3.43 1551 1377 A 95 TYR HE% A 57 LYS HGx 1.0 . 3.43 1552 1378 A 59 ILE H A 60 MET HGy 1.0 . 5.34 1553 1378 A 59 ILE H A 60 MET HGx 1.0 . 5.34 1554 1379 A 59 ILE HA A 65 LYS HBy 1.0 . 3.66 1555 1379 A 59 ILE HA A 65 LYS HBx 1.0 . 3.66 1556 1380 A 59 ILE HG2% A 63 PRO HBx 1.0 . 4.42 1557 1380 A 59 ILE HG2% A 63 PRO HBy 1.0 . 4.42 1558 1381 A 59 ILE HG2% A 65 LYS HBy 1.0 . 4.85 1559 1381 A 59 ILE HG2% A 65 LYS HBx 1.0 . 4.85 1560 1382 A 60 MET HA A 60 MET HGy 1.0 . 3.39 1561 1382 A 60 MET HA A 60 MET HGx 1.0 . 3.39 1562 1383 A 60 MET HE1 A 60 MET HGy 1.0 . 3.34 1563 1383 A 60 MET HE1 A 60 MET HGx 1.0 . 3.34 1564 1384 A 61 ALA H A 60 MET HGy 1.0 . 4.59 1565 1384 A 61 ALA H A 60 MET HGx 1.0 . 4.59 1566 1385 A 95 TYR HD% A 60 MET HGy 1.0 . 3.91 1567 1385 A 95 TYR HD% A 60 MET HGx 1.0 . 3.91 1568 1386 A 95 TYR HE% A 60 MET HGy 1.0 . 4.05 1569 1386 A 95 TYR HE% A 60 MET HGx 1.0 . 4.05 1570 1387 A 98 VAL HGy% A 60 MET HGy 1.0 . 3.27 1571 1387 A 98 VAL HGy% A 60 MET HGx 1.0 . 3.27 1572 1388 A 60 MET HE1 A 94 LYS HGy 1.0 . 3.43 1573 1388 A 60 MET HE1 A 94 LYS HGx 1.0 . 3.43 1574 1389 A 60 MET HE1 A 94 LYS HEy 1.0 . 4.15 1575 1389 A 60 MET HE1 A 94 LYS HEx 1.0 . 4.15 1576 1390 A 61 ALA HB% A 62 ASP HBx 1.0 . 4.52 1577 1390 A 61 ALA HB% A 62 ASP HBy 1.0 . 4.52 1578 1391 A 62 ASP H A 62 ASP HBx 1.0 . 3.51 1579 1391 A 62 ASP H A 62 ASP HBy 1.0 . 3.51 1580 1392 A 62 ASP H A 63 PRO HDx 1.0 . 4.19 1581 1392 A 62 ASP H A 63 PRO HDy 1.0 . 4.19 1582 1393 A 62 ASP HA A 63 PRO HGy 1.0 . 3.96 1583 1393 A 62 ASP HA A 63 PRO HGx 1.0 . 3.96 1584 1394 A 62 ASP HA A 63 PRO HDx 1.0 . 2.94 1585 1394 A 62 ASP HA A 63 PRO HDy 1.0 . 2.94 1586 1395 A 62 ASP HBx A 63 PRO HDx 1.0 . 4.11 1587 1395 A 62 ASP HBy A 63 PRO HDx 1.0 . 4.11 1588 1395 A 63 PRO HDy A 62 ASP HBx 1.0 . 4.11 1589 1395 A 62 ASP HBy A 63 PRO HDy 1.0 . 4.11 1590 1396 A 65 LYS H A 62 ASP HBx 1.0 . 4.22 1591 1396 A 65 LYS H A 62 ASP HBy 1.0 . 4.22 1592 1397 A 62 ASP HBx A 65 LYS HBy 1.0 . 4.67 1593 1397 A 62 ASP HBy A 65 LYS HBy 1.0 . 4.67 1594 1397 A 65 LYS HBx A 62 ASP HBx 1.0 . 4.67 1595 1397 A 65 LYS HBx A 62 ASP HBy 1.0 . 4.67 1596 1398 A 62 ASP HBx A 65 LYS HGy 1.0 . 3.27 1597 1398 A 62 ASP HBy A 65 LYS HGy 1.0 . 3.27 1598 1398 A 65 LYS HGx A 62 ASP HBx 1.0 . 3.27 1599 1398 A 62 ASP HBy A 65 LYS HGx 1.0 . 3.27 1600 1399 A 64 ASN H A 63 PRO HBx 1.0 . 3.88 1601 1399 A 64 ASN H A 63 PRO HBy 1.0 . 3.88 1602 1400 A 66 ALA HB1 A 63 PRO HBx 1.0 . 4.25 1603 1400 A 66 ALA HB1 A 63 PRO HBy 1.0 . 4.25 1604 1401 A 64 ASN H A 63 PRO HGy 1.0 . 4.23 1605 1401 A 64 ASN H A 63 PRO HGx 1.0 . 4.23 1606 1402 A 64 ASN H A 63 PRO HDx 1.0 . 3.90 1607 1402 A 64 ASN H A 63 PRO HDy 1.0 . 3.90 1608 1403 A 64 ASN H A 64 ASN HBy 1.0 . 3.15 1609 1403 A 64 ASN H A 64 ASN HBx 1.0 . 3.15 1610 1404 A 64 ASN H A 64 ASN HD2x 1.0 . 3.86 1611 1404 A 64 ASN H A 64 ASN HD2y 1.0 . 3.86 1612 1405 A 64 ASN HBy A 64 ASN HD2x 1.0 . 3.15 1613 1405 A 64 ASN HBx A 64 ASN HD2x 1.0 . 3.15 1614 1405 A 64 ASN HD2y A 64 ASN HBy 1.0 . 3.15 1615 1405 A 64 ASN HBx A 64 ASN HD2y 1.0 . 3.15 1616 1406 A 65 LYS H A 64 ASN HBy 1.0 . 4.03 1617 1406 A 65 LYS H A 64 ASN HBx 1.0 . 4.03 1618 1407 A 65 LYS H A 65 LYS HBy 1.0 . 3.14 1619 1407 A 65 LYS H A 65 LYS HBx 1.0 . 3.14 1620 1408 A 65 LYS HA A 65 LYS HGy 1.0 . 3.30 1621 1408 A 65 LYS HA A 65 LYS HGx 1.0 . 3.30 1622 1409 A 65 LYS HA A 65 LYS HD3 1.0 . 3.61 1623 1409 A 65 LYS HA A 65 LYS HD2 1.0 . 3.61 1624 1410 A 65 LYS HA A 65 LYS HE3 1.0 . 4.42 1625 1410 A 65 LYS HA A 65 LYS HE2 1.0 . 4.42 1626 1411 A 65 LYS HA A 68 GLU HBx 1.0 . 4.11 1627 1411 A 65 LYS HA A 68 GLU HBy 1.0 . 4.11 1628 1412 A 65 LYS HBx A 65 LYS HE3 1.0 . 4.51 1629 1412 A 65 LYS HBy A 65 LYS HE3 1.0 . 4.51 1630 1412 A 65 LYS HE2 A 65 LYS HBy 1.0 . 4.51 1631 1412 A 65 LYS HBx A 65 LYS HE2 1.0 . 4.51 1632 1413 A 66 ALA H A 65 LYS HBy 1.0 . 3.96 1633 1413 A 66 ALA H A 65 LYS HBx 1.0 . 3.96 1634 1414 A 66 ALA HB1 A 65 LYS HBy 1.0 . 5.13 1635 1414 A 66 ALA HB1 A 65 LYS HBx 1.0 . 5.13 1636 1415 A 69 VAL HGy% A 65 LYS HBy 1.0 . 3.51 1637 1415 A 69 VAL HGy% A 65 LYS HBx 1.0 . 3.51 1638 1416 A 65 LYS HE2 A 65 LYS HGy 1.0 . 3.27 1639 1416 A 65 LYS HE3 A 65 LYS HGy 1.0 . 3.27 1640 1416 A 65 LYS HGx A 65 LYS HE3 1.0 . 3.27 1641 1416 A 65 LYS HGx A 65 LYS HE2 1.0 . 3.27 1642 1417 A 66 ALA H A 65 LYS HGy 1.0 . 4.39 1643 1417 A 66 ALA H A 65 LYS HGx 1.0 . 4.39 1644 1418 A 69 VAL HGy% A 65 LYS HD3 1.0 . 4.57 1645 1418 A 69 VAL HGy% A 65 LYS HD2 1.0 . 4.57 1646 1419 A 65 LYS HE2 A 68 GLU HGy 1.0 . 3.96 1647 1419 A 68 GLU HGx A 65 LYS HE3 1.0 . 3.96 1648 1419 A 65 LYS HE2 A 68 GLU HGx 1.0 . 3.96 1649 1419 A 65 LYS HE3 A 68 GLU HGy 1.0 . 3.96 1650 1420 A 66 ALA HB1 A 67 ASP HBy 1.0 . 4.48 1651 1420 A 66 ALA HB1 A 67 ASP HBx 1.0 . 4.48 1652 1421 A 66 ALA HB1 A 70 TYR HBx 1.0 . 5.34 1653 1421 A 66 ALA HB1 A 70 TYR HBy 1.0 . 5.34 1654 1422 A 67 ASP H A 67 ASP HBy 1.0 . 3.02 1655 1422 A 67 ASP H A 67 ASP HBx 1.0 . 3.02 1656 1423 A 67 ASP HA A 70 TYR HBx 1.0 . 3.88 1657 1423 A 67 ASP HA A 70 TYR HBy 1.0 . 3.88 1658 1424 A 68 GLU H A 67 ASP HBy 1.0 . 3.38 1659 1424 A 68 GLU H A 67 ASP HBx 1.0 . 3.38 1660 1425 A 68 GLU H A 68 GLU HBx 1.0 . 3.13 1661 1425 A 68 GLU H A 68 GLU HBy 1.0 . 3.13 1662 1426 A 68 GLU H A 68 GLU HGy 1.0 . 4.05 1663 1426 A 68 GLU H A 68 GLU HGx 1.0 . 4.05 1664 1427 A 68 GLU HA A 71 LYS HD3 1.0 . 3.91 1665 1427 A 68 GLU HA A 71 LYS HD2 1.0 . 3.91 1666 1428 A 68 GLU HA A 71 LYS HE3 1.0 . 5.34 1667 1428 A 68 GLU HA A 71 LYS HE2 1.0 . 5.34 1668 1429 A 69 VAL HGy% A 68 GLU HBx 1.0 . 3.56 1669 1429 A 69 VAL HGy% A 68 GLU HBy 1.0 . 3.56 1670 1430 A 69 VAL HGy% A 68 GLU HGy 1.0 . 4.58 1671 1430 A 69 VAL HGy% A 68 GLU HGx 1.0 . 4.58 1672 1431 A 69 VAL HA A 72 LYS HBy 1.0 . 3.61 1673 1431 A 69 VAL HA A 72 LYS HBx 1.0 . 3.61 1674 1432 A 69 VAL HA A 72 LYS HGy 1.0 . 4.00 1675 1432 A 69 VAL HA A 72 LYS HGx 1.0 . 4.00 1676 1433 A 69 VAL HA A 72 LYS HD3 1.0 . 3.95 1677 1433 A 69 VAL HA A 72 LYS HD2 1.0 . 3.95 1678 1434 A 70 TYR H A 70 TYR HBx 1.0 . 3.41 1679 1434 A 70 TYR H A 70 TYR HBy 1.0 . 3.41 1680 1435 A 71 LYS H A 70 TYR HBx 1.0 . 3.58 1681 1435 A 71 LYS H A 70 TYR HBy 1.0 . 3.58 1682 1436 A 102 TYR HD% A 70 TYR HBx 1.0 . 3.99 1683 1436 A 102 TYR HD% A 70 TYR HBy 1.0 . 3.99 1684 1437 A 70 TYR HD% A 102 TYR HBx 1.0 . 4.28 1685 1437 A 70 TYR HD% A 102 TYR HBy 1.0 . 4.28 1686 1438 A 70 TYR HE% A 102 TYR HBx 1.0 . 3.69 1687 1438 A 70 TYR HE% A 102 TYR HBy 1.0 . 3.69 1688 1439 A 71 LYS H A 71 LYS HD3 1.0 . 4.47 1689 1439 A 71 LYS H A 71 LYS HD2 1.0 . 4.47 1690 1440 A 71 LYS H A 71 LYS HE3 1.0 . 5.34 1691 1440 A 71 LYS H A 71 LYS HE2 1.0 . 5.34 1692 1441 A 71 LYS HA A 71 LYS HGy 1.0 . 3.50 1693 1441 A 71 LYS HA A 71 LYS HGx 1.0 . 3.50 1694 1442 A 71 LYS HA A 71 LYS HD3 1.0 . 4.49 1695 1442 A 71 LYS HA A 71 LYS HD2 1.0 . 4.49 1696 1443 A 71 LYS HB2 A 71 LYS HD3 1.0 . 3.33 1697 1443 A 71 LYS HB2 A 71 LYS HD2 1.0 . 3.33 1698 1444 A 72 LYS H A 71 LYS HGy 1.0 . 5.08 1699 1444 A 72 LYS H A 71 LYS HGx 1.0 . 5.08 1700 1445 A 105 HIS HE1 A 71 LYS HGy 1.0 . 3.98 1701 1445 A 105 HIS HE1 A 71 LYS HGx 1.0 . 3.98 1702 1446 A 72 LYS H A 71 LYS HD3 1.0 . 4.86 1703 1446 A 72 LYS H A 71 LYS HD2 1.0 . 4.86 1704 1447 A 105 HIS HE1 A 71 LYS HD3 1.0 . 3.98 1705 1447 A 105 HIS HE1 A 71 LYS HD2 1.0 . 3.98 1706 1448 A 72 LYS H A 72 LYS HBy 1.0 . 3.21 1707 1448 A 72 LYS H A 72 LYS HBx 1.0 . 3.21 1708 1449 A 72 LYS H A 72 LYS HGy 1.0 . 3.44 1709 1449 A 72 LYS H A 72 LYS HGx 1.0 . 3.44 1710 1450 A 72 LYS HA A 72 LYS HGy 1.0 . 3.15 1711 1450 A 72 LYS HA A 72 LYS HGx 1.0 . 3.15 1712 1451 A 72 LYS HBx A 72 LYS HD3 1.0 . 3.16 1713 1451 A 72 LYS HBy A 72 LYS HD3 1.0 . 3.16 1714 1451 A 72 LYS HD2 A 72 LYS HBy 1.0 . 3.16 1715 1451 A 72 LYS HD2 A 72 LYS HBx 1.0 . 3.16 1716 1452 A 72 LYS HD3 A 72 LYS HGy 1.0 . 2.33 1717 1452 A 72 LYS HD2 A 72 LYS HGy 1.0 . 2.33 1718 1452 A 72 LYS HGx A 72 LYS HD3 1.0 . 2.33 1719 1452 A 72 LYS HGx A 72 LYS HD2 1.0 . 2.33 1720 1453 A 72 LYS HE3 A 72 LYS HGy 1.0 . 3.15 1721 1453 A 72 LYS HE2 A 72 LYS HGy 1.0 . 3.15 1722 1453 A 72 LYS HGx A 72 LYS HE2 1.0 . 3.15 1723 1453 A 72 LYS HGx A 72 LYS HE3 1.0 . 3.15 1724 1454 A 73 TRP HA A 76 LYS HBy 1.0 . 4.00 1725 1454 A 73 TRP HA A 76 LYS HBx 1.0 . 4.00 1726 1455 A 73 TRP HA A 76 LYS HGy 1.0 . 4.40 1727 1455 A 73 TRP HA A 76 LYS HGx 1.0 . 4.40 1728 1456 A 73 TRP HD1 A 76 LYS HGy 1.0 . 4.84 1729 1456 A 73 TRP HD1 A 76 LYS HGx 1.0 . 4.84 1730 1457 A 73 TRP HE3 A 102 TYR HBx 1.0 . 4.76 1731 1457 A 73 TRP HE3 A 102 TYR HBy 1.0 . 4.76 1732 1458 A 73 TRP HZ3 A 102 TYR HBx 1.0 . 4.02 1733 1458 A 73 TRP HZ3 A 102 TYR HBy 1.0 . 4.02 1734 1459 A 74 ALA HA A 106 LEU HDx% 1.0 . 3.99 1735 1459 A 74 ALA HA A 106 LEU HDy% 1.0 . 3.99 1736 1460 A 74 ALA HB% A 106 LEU HDx% 1.0 . 3.12 1737 1460 A 74 ALA HB% A 106 LEU HDy% 1.0 . 3.12 1738 1461 A 75 ASP HBx A 76 LYS HGy 1.0 . 5.27 1739 1461 A 75 ASP HBx A 76 LYS HGx 1.0 . 5.27 1740 1462 A 76 LYS H A 76 LYS HBy 1.0 . 3.03 1741 1462 A 76 LYS H A 76 LYS HBx 1.0 . 3.03 1742 1463 A 76 LYS H A 76 LYS HGy 1.0 . 3.84 1743 1463 A 76 LYS H A 76 LYS HGx 1.0 . 3.84 1744 1464 A 76 LYS H A 76 LYS HDy 1.0 . 4.15 1745 1464 A 76 LYS H A 76 LYS HDx 1.0 . 4.15 1746 1465 A 76 LYS HA A 76 LYS HGy 1.0 . 3.19 1747 1465 A 76 LYS HA A 76 LYS HGx 1.0 . 3.19 1748 1466 A 76 LYS HA A 76 LYS HDy 1.0 . 3.35 1749 1466 A 76 LYS HA A 76 LYS HDx 1.0 . 3.35 1750 1467 A 76 LYS HBx A 76 LYS HEy 1.0 . 4.19 1751 1467 A 76 LYS HEx A 76 LYS HBy 1.0 . 4.19 1752 1467 A 76 LYS HBx A 76 LYS HEx 1.0 . 4.19 1753 1467 A 76 LYS HBy A 76 LYS HEy 1.0 . 4.19 1754 1468 A 77 GLY H A 76 LYS HBy 1.0 . 3.85 1755 1468 A 77 GLY H A 76 LYS HBx 1.0 . 3.85 1756 1469 A 78 TYR H A 76 LYS HBy 1.0 . 3.97 1757 1469 A 78 TYR H A 76 LYS HBx 1.0 . 3.97 1758 1470 A 77 GLY H A 76 LYS HGy 1.0 . 4.76 1759 1470 A 77 GLY H A 76 LYS HGx 1.0 . 4.76 1760 1471 A 78 TYR HD% A 76 LYS HGy 1.0 . 4.89 1761 1471 A 78 TYR HD% A 76 LYS HGx 1.0 . 4.89 1762 1472 A 78 TYR HE% A 76 LYS HGy 1.0 . 3.91 1763 1472 A 78 TYR HE% A 76 LYS HGx 1.0 . 3.91 1764 1473 A 78 TYR HE% A 76 LYS HDy 1.0 . 4.32 1765 1473 A 78 TYR HE% A 76 LYS HDx 1.0 . 4.32 1766 1474 A 78 TYR H A 78 TYR HBx 1.0 . 3.16 1767 1474 A 78 TYR H A 78 TYR HBy 1.0 . 3.16 1768 1475 A 79 THR H A 78 TYR HBx 1.0 . 4.36 1769 1475 A 79 THR H A 78 TYR HBy 1.0 . 4.36 1770 1476 A 78 TYR HBy A 82 GLN HBx 1.0 . 4.20 1771 1476 A 78 TYR HBx A 82 GLN HBx 1.0 . 4.20 1772 1476 A 82 GLN HBy A 78 TYR HBx 1.0 . 4.20 1773 1476 A 78 TYR HBy A 82 GLN HBy 1.0 . 4.20 1774 1477 A 83 MET HE% A 78 TYR HBx 1.0 . 3.41 1775 1477 A 83 MET HE% A 78 TYR HBy 1.0 . 3.41 1776 1478 A 78 TYR HD% A 82 GLN HBx 1.0 . 5.17 1777 1478 A 78 TYR HD% A 82 GLN HBy 1.0 . 5.17 1778 1479 A 79 THR H A 82 GLN HBx 1.0 . 3.64 1779 1479 A 79 THR H A 82 GLN HBy 1.0 . 3.64 1780 1480 A 79 THR HA A 106 LEU HDx% 1.0 . 4.59 1781 1480 A 79 THR HA A 106 LEU HDy% 1.0 . 4.59 1782 1481 A 80 LEU H A 80 LEU HB2 1.0 . 3.48 1783 1481 A 80 LEU H A 80 LEU HB3 1.0 . 3.48 1784 1482 A 80 LEU H A 106 LEU HDx% 1.0 . 4.73 1785 1482 A 80 LEU H A 106 LEU HDy% 1.0 . 4.73 1786 1483 A 80 LEU HA A 106 LEU HDx% 1.0 . 4.73 1787 1483 A 80 LEU HA A 106 LEU HDy% 1.0 . 4.73 1788 1484 A 80 LEU HDx% A 80 LEU HB2 1.0 . 3.16 1789 1484 A 80 LEU HDx% A 80 LEU HB3 1.0 . 3.16 1790 1485 A 80 LEU HDy% A 80 LEU HB2 1.0 . 3.28 1791 1485 A 80 LEU HDy% A 80 LEU HB3 1.0 . 3.28 1792 1486 A 99 TYR HE% A 80 LEU HB2 1.0 . 4.47 1793 1486 A 99 TYR HE% A 80 LEU HB3 1.0 . 4.47 1794 1487 A 80 LEU HG A 106 LEU HDx% 1.0 . 4.15 1795 1487 A 80 LEU HG A 106 LEU HDy% 1.0 . 4.15 1796 1488 A 82 GLN H A 82 GLN HBx 1.0 . 3.33 1797 1488 A 82 GLN H A 82 GLN HBy 1.0 . 3.33 1798 1489 A 82 GLN H A 82 GLN HGx 1.0 . 3.39 1799 1489 A 82 GLN H A 82 GLN HGy 1.0 . 3.39 1800 1490 A 82 GLN HA A 82 GLN HGx 1.0 . 3.42 1801 1490 A 82 GLN HA A 82 GLN HGy 1.0 . 3.42 1802 1491 A 82 GLN HA A 85 ASN HBx 1.0 . 3.68 1803 1491 A 82 GLN HA A 85 ASN HBy 1.0 . 3.68 1804 1492 A 82 GLN HA A 85 ASN HD2x 1.0 . 4.58 1805 1492 A 82 GLN HA A 85 ASN HD2y 1.0 . 4.58 1806 1493 A 83 MET H A 82 GLN HBx 1.0 . 4.21 1807 1493 A 83 MET H A 82 GLN HBy 1.0 . 4.21 1808 1494 A 86 PHE HE% A 82 GLN HBx 1.0 . 4.81 1809 1494 A 86 PHE HE% A 82 GLN HBy 1.0 . 4.81 1810 1495 A 86 PHE HZ A 82 GLN HBx 1.0 . 4.83 1811 1495 A 86 PHE HZ A 82 GLN HBy 1.0 . 4.83 1812 1496 A 82 GLN HE2x A 82 GLN HGx 1.0 . 3.16 1813 1496 A 82 GLN HE2y A 82 GLN HGx 1.0 . 3.16 1814 1496 A 82 GLN HGy A 82 GLN HE2x 1.0 . 3.16 1815 1496 A 82 GLN HGy A 82 GLN HE2y 1.0 . 3.16 1816 1497 A 83 MET H A 82 GLN HGx 1.0 . 4.15 1817 1497 A 83 MET H A 82 GLN HGy 1.0 . 4.15 1818 1498 A 83 MET H A 83 MET HGy 1.0 . 4.13 1819 1498 A 83 MET H A 83 MET HGx 1.0 . 4.13 1820 1499 A 83 MET HE% A 83 MET HGy 1.0 . 3.32 1821 1499 A 83 MET HE% A 83 MET HGx 1.0 . 3.32 1822 1500 A 87 LEU HDx% A 83 MET HGy 1.0 . 3.58 1823 1500 A 87 LEU HDx% A 83 MET HGx 1.0 . 3.58 1824 1501 A 99 TYR HD% A 83 MET HGy 1.0 . 3.82 1825 1501 A 99 TYR HD% A 83 MET HGx 1.0 . 3.82 1826 1502 A 99 TYR HE% A 83 MET HGy 1.0 . 4.44 1827 1502 A 99 TYR HE% A 83 MET HGx 1.0 . 4.44 1828 1503 A 102 TYR HD% A 83 MET HGy 1.0 . 3.62 1829 1503 A 102 TYR HD% A 83 MET HGx 1.0 . 3.62 1830 1504 A 84 SER H A 84 SER HB2 1.0 . 3.17 1831 1504 A 84 SER H A 84 SER HB3 1.0 . 3.17 1832 1505 A 85 ASN H A 84 SER HB2 1.0 . 3.83 1833 1505 A 85 ASN H A 84 SER HB3 1.0 . 3.83 1834 1506 A 99 TYR HD% A 84 SER HB2 1.0 . 4.77 1835 1506 A 99 TYR HD% A 84 SER HB3 1.0 . 4.77 1836 1507 A 99 TYR HE% A 84 SER HB2 1.0 . 3.70 1837 1507 A 99 TYR HE% A 84 SER HB3 1.0 . 3.70 1838 1508 A 85 ASN H A 85 ASN HBx 1.0 . 3.05 1839 1508 A 85 ASN H A 85 ASN HBy 1.0 . 3.05 1840 1509 A 85 ASN HA A 85 ASN HD2x 1.0 . 4.72 1841 1509 A 85 ASN HA A 85 ASN HD2y 1.0 . 4.72 1842 1510 A 85 ASN HA A 88 LYS HBy 1.0 . 5.24 1843 1510 A 85 ASN HA A 88 LYS HBx 1.0 . 5.24 1844 1511 A 85 ASN HD2x A 85 ASN HBy 1.0 . 3.22 1845 1511 A 85 ASN HD2y A 85 ASN HBx 1.0 . 3.22 1846 1511 A 85 ASN HD2y A 85 ASN HBy 1.0 . 3.22 1847 1511 A 85 ASN HD2x A 85 ASN HBx 1.0 . 3.22 1848 1512 A 86 PHE H A 85 ASN HBx 1.0 . 3.46 1849 1512 A 86 PHE H A 85 ASN HBy 1.0 . 3.46 1850 1513 A 87 LEU HDx% A 99 TYR HBy 1.0 . 3.35 1851 1513 A 87 LEU HDx% A 99 TYR HBx 1.0 . 3.35 1852 1514 A 88 LYS H A 88 LYS HBy 1.0 . 3.13 1853 1514 A 88 LYS H A 88 LYS HBx 1.0 . 3.13 1854 1515 A 88 LYS H A 88 LYS HGy 1.0 . 4.27 1855 1515 A 88 LYS H A 88 LYS HGx 1.0 . 4.27 1856 1516 A 88 LYS H A 88 LYS HE3 1.0 . 5.34 1857 1516 A 88 LYS H A 88 LYS HE2 1.0 . 5.34 1858 1517 A 88 LYS HA A 88 LYS HGy 1.0 . 3.39 1859 1517 A 88 LYS HA A 88 LYS HGx 1.0 . 3.39 1860 1518 A 88 LYS HA A 88 LYS HD3 1.0 . 4.77 1861 1518 A 88 LYS HA A 88 LYS HD2 1.0 . 4.77 1862 1519 A 88 LYS HBx A 88 LYS HE3 1.0 . 4.01 1863 1519 A 88 LYS HBy A 88 LYS HE3 1.0 . 4.01 1864 1519 A 88 LYS HE2 A 88 LYS HBy 1.0 . 4.01 1865 1519 A 88 LYS HBx A 88 LYS HE2 1.0 . 4.01 1866 1520 A 89 SER H A 88 LYS HBy 1.0 . 4.26 1867 1520 A 89 SER H A 88 LYS HBx 1.0 . 4.26 1868 1521 A 88 LYS HE2 A 88 LYS HGy 1.0 . 3.33 1869 1521 A 88 LYS HE3 A 88 LYS HGy 1.0 . 3.33 1870 1521 A 88 LYS HGx A 88 LYS HE3 1.0 . 3.33 1871 1521 A 88 LYS HGx A 88 LYS HE2 1.0 . 3.33 1872 1522 A 89 SER HBy A 94 LYS HBx 1.0 . 3.57 1873 1522 A 89 SER HBx A 94 LYS HBx 1.0 . 3.57 1874 1522 A 94 LYS HBy A 89 SER HBx 1.0 . 3.57 1875 1522 A 89 SER HBy A 94 LYS HBy 1.0 . 3.57 1876 1523 A 89 SER HBy A 94 LYS HD3 1.0 . 3.83 1877 1523 A 94 LYS HD2 A 89 SER HBx 1.0 . 3.83 1878 1523 A 89 SER HBy A 94 LYS HD2 1.0 . 3.83 1879 1523 A 89 SER HBx A 94 LYS HD3 1.0 . 3.83 1880 1524 A 95 TYR HD% A 89 SER HBx 1.0 . 4.05 1881 1524 A 95 TYR HD% A 89 SER HBy 1.0 . 4.05 1882 1525 A 95 TYR HE% A 89 SER HBx 1.0 . 4.01 1883 1525 A 95 TYR HE% A 89 SER HBy 1.0 . 4.01 1884 1526 A 90 LYS HA A 90 LYS HG2 1.0 . 3.67 1885 1526 A 90 LYS HA A 90 LYS HG3 1.0 . 3.67 1886 1527 A 90 LYS HA A 90 LYS HD3 1.0 . 4.66 1887 1527 A 90 LYS HA A 90 LYS HD2 1.0 . 4.66 1888 1528 A 91 THR HB A 94 LYS HBx 1.0 . 3.39 1889 1528 A 91 THR HB A 94 LYS HBy 1.0 . 3.39 1890 1529 A 91 THR HB A 94 LYS HD3 1.0 . 4.01 1891 1529 A 91 THR HB A 94 LYS HD2 1.0 . 4.01 1892 1530 A 91 THR HG2% A 94 LYS HBx 1.0 . 4.01 1893 1530 A 91 THR HG2% A 94 LYS HBy 1.0 . 4.01 1894 1531 A 91 THR HG2% A 94 LYS HD3 1.0 . 4.10 1895 1531 A 91 THR HG2% A 94 LYS HD2 1.0 . 4.10 1896 1532 A 95 TYR H A 93 GLY HA3 1.0 . 5.34 1897 1532 A 95 TYR H A 93 GLY HA2 1.0 . 5.34 1898 1533 A 96 ASP H A 93 GLY HA3 1.0 . 4.82 1899 1533 A 96 ASP H A 93 GLY HA2 1.0 . 4.82 1900 1534 A 94 LYS H A 94 LYS HBx 1.0 . 3.32 1901 1534 A 94 LYS H A 94 LYS HBy 1.0 . 3.32 1902 1535 A 94 LYS H A 94 LYS HGy 1.0 . 4.72 1903 1535 A 94 LYS H A 94 LYS HGx 1.0 . 4.72 1904 1536 A 94 LYS HA A 94 LYS HGy 1.0 . 3.41 1905 1536 A 94 LYS HA A 94 LYS HGx 1.0 . 3.41 1906 1537 A 94 LYS HA A 94 LYS HD3 1.0 . 4.13 1907 1537 A 94 LYS HA A 94 LYS HD2 1.0 . 4.13 1908 1538 A 94 LYS HBy A 94 LYS HD3 1.0 . 3.31 1909 1538 A 94 LYS HBx A 94 LYS HD3 1.0 . 3.31 1910 1538 A 94 LYS HD2 A 94 LYS HBx 1.0 . 3.31 1911 1538 A 94 LYS HBy A 94 LYS HD2 1.0 . 3.31 1912 1539 A 94 LYS HBy A 94 LYS HEy 1.0 . 5.18 1913 1539 A 94 LYS HBx A 94 LYS HEy 1.0 . 5.18 1914 1539 A 94 LYS HEx A 94 LYS HBx 1.0 . 5.18 1915 1539 A 94 LYS HEx A 94 LYS HBy 1.0 . 5.18 1916 1540 A 95 TYR H A 94 LYS HBx 1.0 . 3.72 1917 1540 A 95 TYR H A 94 LYS HBy 1.0 . 3.72 1918 1541 A 95 TYR HD% A 94 LYS HBx 1.0 . 3.92 1919 1541 A 95 TYR HD% A 94 LYS HBy 1.0 . 3.92 1920 1542 A 95 TYR HE% A 94 LYS HBx 1.0 . 4.08 1921 1542 A 95 TYR HE% A 94 LYS HBy 1.0 . 4.08 1922 1543 A 94 LYS HEx A 94 LYS HGy 1.0 . 3.02 1923 1543 A 94 LYS HEy A 94 LYS HGy 1.0 . 3.02 1924 1543 A 94 LYS HGx A 94 LYS HEy 1.0 . 3.02 1925 1543 A 94 LYS HGx A 94 LYS HEx 1.0 . 3.02 1926 1544 A 95 TYR HD% A 94 LYS HGy 1.0 . 4.47 1927 1544 A 95 TYR HD% A 94 LYS HGx 1.0 . 4.47 1928 1545 A 95 TYR HE% A 94 LYS HGy 1.0 . 3.98 1929 1545 A 95 TYR HE% A 94 LYS HGx 1.0 . 3.98 1930 1546 A 95 TYR HE% A 94 LYS HD3 1.0 . 3.88 1931 1546 A 95 TYR HE% A 94 LYS HD2 1.0 . 3.88 1932 1547 A 95 TYR HE% A 94 LYS HEy 1.0 . 3.94 1933 1547 A 95 TYR HE% A 94 LYS HEx 1.0 . 3.94 1934 1548 A 97 ARG HA A 97 ARG HD2 1.0 . 4.72 1935 1548 A 97 ARG HA A 97 ARG HD3 1.0 . 4.72 1936 1549 A 97 ARG HA A 100 ASN HBy 1.0 . 3.97 1937 1549 A 97 ARG HA A 100 ASN HBx 1.0 . 3.97 1938 1550 A 97 ARG HA A 100 ASN HD2y 1.0 . 4.16 1939 1550 A 97 ARG HA A 100 ASN HD2x 1.0 . 4.16 1940 1551 A 97 ARG HBy A 97 ARG HD2 1.0 . 3.27 1941 1551 A 97 ARG HBx A 97 ARG HD2 1.0 . 3.27 1942 1551 A 97 ARG HD3 A 97 ARG HBy 1.0 . 3.27 1943 1551 A 97 ARG HD3 A 97 ARG HBx 1.0 . 3.27 1944 1552 A 98 VAL HGy% A 97 ARG HBy 1.0 . 4.40 1945 1552 A 98 VAL HGy% A 97 ARG HBx 1.0 . 4.40 1946 1553 A 98 VAL H A 99 TYR HBy 1.0 . 5.34 1947 1553 A 98 VAL H A 99 TYR HBx 1.0 . 5.34 1948 1554 A 98 VAL H A 100 ASN HBy 1.0 . 5.34 1949 1554 A 98 VAL H A 100 ASN HBx 1.0 . 5.34 1950 1555 A 98 VAL HB A 99 TYR HBy 1.0 . 5.04 1951 1555 A 98 VAL HB A 99 TYR HBx 1.0 . 5.04 1952 1556 A 98 VAL HGx% A 99 TYR HBy 1.0 . 5.23 1953 1556 A 98 VAL HGx% A 99 TYR HBx 1.0 . 5.23 1954 1557 A 98 VAL HGx% A 102 TYR HBx 1.0 . 4.68 1955 1557 A 98 VAL HGx% A 102 TYR HBy 1.0 . 4.68 1956 1558 A 99 TYR HA A 102 TYR HBx 1.0 . 4.14 1957 1558 A 99 TYR HA A 102 TYR HBy 1.0 . 4.14 1958 1559 A 100 ASN H A 99 TYR HBy 1.0 . 3.63 1959 1559 A 100 ASN H A 99 TYR HBx 1.0 . 3.63 1960 1560 A 103 VAL HG21 A 99 TYR HBy 1.0 . 5.34 1961 1560 A 103 VAL HG21 A 99 TYR HBx 1.0 . 5.34 1962 1561 A 100 ASN H A 100 ASN HBy 1.0 . 3.19 1963 1561 A 100 ASN H A 100 ASN HBx 1.0 . 3.19 1964 1562 A 100 ASN HBy A 100 ASN HD2y 1.0 . 3.15 1965 1562 A 100 ASN HBx A 100 ASN HD2y 1.0 . 3.15 1966 1562 A 100 ASN HD2x A 100 ASN HBy 1.0 . 3.15 1967 1562 A 100 ASN HBx A 100 ASN HD2x 1.0 . 3.15 1968 1563 A 101 GLY H A 100 ASN HBy 1.0 . 3.61 1969 1563 A 101 GLY H A 100 ASN HBx 1.0 . 3.61 1970 1564 A 104 ILE HD1% A 100 ASN HBy 1.0 . 4.27 1971 1564 A 104 ILE HD1% A 100 ASN HBx 1.0 . 4.27 1972 1565 A 103 VAL H A 102 TYR HBx 1.0 . 3.98 1973 1565 A 103 VAL H A 102 TYR HBy 1.0 . 3.98 1974 1566 A 103 VAL HG21 A 102 TYR HBx 1.0 . 4.69 1975 1566 A 103 VAL HG21 A 102 TYR HBy 1.0 . 4.69 1976 1567 A 102 TYR HD% A 106 LEU HDx% 1.0 . 4.37 1977 1567 A 102 TYR HD% A 106 LEU HDy% 1.0 . 4.37 1978 1568 A 103 VAL HA A 106 LEU HBy 1.0 . 4.37 1979 1568 A 103 VAL HA A 106 LEU HBx 1.0 . 4.37 1980 1569 A 103 VAL HA A 106 LEU HDx% 1.0 . 4.36 1981 1569 A 103 VAL HA A 106 LEU HDy% 1.0 . 4.36 1982 1570 A 104 ILE HA A 107 ASP HBx 1.0 . 3.74 1983 1570 A 104 ILE HA A 107 ASP HBy 1.0 . 3.74 1984 1571 A 105 HIS HBy A 106 LEU HDx% 1.0 . 4.91 1985 1571 A 105 HIS HBy A 106 LEU HDy% 1.0 . 4.91 1986 1572 A 105 HIS HD2 A 106 LEU HDx% 1.0 . 3.43 1987 1572 A 105 HIS HD2 A 106 LEU HDy% 1.0 . 3.43 1988 1573 A 106 LEU H A 106 LEU HBy 1.0 . 3.22 1989 1573 A 106 LEU H A 106 LEU HBx 1.0 . 3.22 1990 1574 A 106 LEU H A 106 LEU HDx% 1.0 . 3.61 1991 1574 A 106 LEU H A 106 LEU HDy% 1.0 . 3.61 1992 1575 A 106 LEU HA A 106 LEU HDx% 1.0 . 2.81 1993 1575 A 106 LEU HA A 106 LEU HDy% 1.0 . 2.81 1994 1576 A 106 LEU HBx A 106 LEU HDx% 1.0 . 2.64 1995 1576 A 106 LEU HBy A 106 LEU HDx% 1.0 . 2.64 1996 1576 A 106 LEU HDy% A 106 LEU HBy 1.0 . 2.64 1997 1576 A 106 LEU HDy% A 106 LEU HBx 1.0 . 2.64 1998 1577 A 107 ASP H A 106 LEU HBy 1.0 . 4.34 1999 1577 A 107 ASP H A 106 LEU HBx 1.0 . 4.34 2000 1578 A 107 ASP H A 106 LEU HDx% 1.0 . 5.30 2001 1578 A 107 ASP H A 106 LEU HDy% 1.0 . 5.30 2002 1579 A 108 TYR H A 106 LEU HDx% 1.0 . 5.22 2003 1579 A 108 TYR H A 106 LEU HDy% 1.0 . 5.22 2004 1580 A 108 TYR HE% A 106 LEU HDx% 1.0 . 3.84 2005 1580 A 108 TYR HE% A 106 LEU HDy% 1.0 . 3.84 2006 1581 A 107 ASP H A 107 ASP HBx 1.0 . 3.10 2007 1581 A 107 ASP H A 107 ASP HBy 1.0 . 3.10 2008 1582 A 108 TYR H A 107 ASP HBx 1.0 . 3.42 2009 1582 A 108 TYR H A 107 ASP HBy 1.0 . 3.42 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 45 GLY C A 46 PHE N A 46 PHE CA A 46 PHE C 1.0 -92.0 -32.0 PHI 2 2 A 46 PHE N A 46 PHE CA A 46 PHE C A 47 LEU N 1.0 -71.0 -11.0 PSI 3 3 A 46 PHE C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -97.0 -37.0 PHI 4 4 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 GLU N 1.0 -66.0 -6.0 PSI 5 5 A 47 LEU C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -94.0 -34.0 PHI 6 6 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 LYS N 1.0 -73.0 -13.0 PSI 7 7 A 48 GLU C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -93.0 -33.0 PHI 8 8 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 ALA N 1.0 -75.0 -15.0 PSI 9 9 A 49 LYS C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -93.0 -33.0 PHI 10 10 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 ALA N 1.0 -69.0 -9.0 PSI 11 11 A 50 ALA C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -95.0 -35.0 PHI 12 12 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 VAL N 1.0 -68.0 -8.0 PSI 13 13 A 51 ALA C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -96.0 -36.0 PHI 14 14 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 LYS N 1.0 -75.0 -15.0 PSI 15 15 A 52 VAL C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -92.0 -32.0 PHI 16 16 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 LYS N 1.0 -73.0 -13.0 PSI 17 17 A 53 LYS C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -94.0 -34.0 PHI 18 18 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 MET N 1.0 -66.0 -6.0 PSI 19 19 A 54 LYS C A 55 MET N A 55 MET CA A 55 MET C 1.0 -95.0 -35.0 PHI 20 20 A 55 MET N A 55 MET CA A 55 MET C A 56 ALA N 1.0 -70.0 -10.0 PSI 21 21 A 55 MET C A 56 ALA N A 56 ALA CA A 56 ALA C 1.0 -95.0 -35.0 PHI 22 22 A 56 ALA N A 56 ALA CA A 56 ALA C A 57 LYS N 1.0 -68.0 -8.0 PSI 23 23 A 56 ALA C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -95.0 -35.0 PHI 24 24 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 ALA N 1.0 -72.0 -12.0 PSI 25 25 A 57 LYS C A 58 ALA N A 58 ALA CA A 58 ALA C 1.0 -95.0 -35.0 PHI 26 26 A 58 ALA N A 58 ALA CA A 58 ALA C A 59 ILE N 1.0 -70.0 -10.0 PSI 27 27 A 58 ALA C A 59 ILE N A 59 ILE CA A 59 ILE C 1.0 -96.0 -36.0 PHI 28 28 A 59 ILE N A 59 ILE CA A 59 ILE C A 60 MET N 1.0 -73.0 -13.0 PSI 29 29 A 59 ILE C A 60 MET N A 60 MET CA A 60 MET C 1.0 -94.0 -34.0 PHI 30 30 A 60 MET N A 60 MET CA A 60 MET C A 61 ALA N 1.0 -67.0 -7.0 PSI 31 31 A 63 PRO C A 64 ASN N A 64 ASN CA A 64 ASN C 1.0 -94.0 -34.0 PHI 32 32 A 64 ASN N A 64 ASN CA A 64 ASN C A 65 LYS N 1.0 -63.0 -3.0 PSI 33 33 A 64 ASN C A 65 LYS N A 65 LYS CA A 65 LYS C 1.0 -108.0 -48.0 PHI 34 34 A 65 LYS N A 65 LYS CA A 65 LYS C A 66 ALA N 1.0 -50.0 10.0 PSI 35 35 A 65 LYS C A 66 ALA N A 66 ALA CA A 66 ALA C 1.0 -92.0 -32.0 PHI 36 36 A 66 ALA N A 66 ALA CA A 66 ALA C A 67 ASP N 1.0 -69.0 -9.0 PSI 37 37 A 66 ALA C A 67 ASP N A 67 ASP CA A 67 ASP C 1.0 -88.0 -28.0 PHI 38 38 A 67 ASP N A 67 ASP CA A 67 ASP C A 68 GLU N 1.0 -75.0 -15.0 PSI 39 39 A 67 ASP C A 68 GLU N A 68 GLU CA A 68 GLU C 1.0 -97.0 -37.0 PHI 40 40 A 68 GLU N A 68 GLU CA A 68 GLU C A 69 VAL N 1.0 -71.0 -11.0 PSI 41 41 A 68 GLU C A 69 VAL N A 69 VAL CA A 69 VAL C 1.0 -96.0 -36.0 PHI 42 42 A 69 VAL N A 69 VAL CA A 69 VAL C A 70 TYR N 1.0 -75.0 -15.0 PSI 43 43 A 69 VAL C A 70 TYR N A 70 TYR CA A 70 TYR C 1.0 -92.0 -32.0 PHI 44 44 A 70 TYR N A 70 TYR CA A 70 TYR C A 71 LYS N 1.0 -68.0 -8.0 PSI 45 45 A 70 TYR C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -93.0 -33.0 PHI 46 46 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 LYS N 1.0 -75.0 -15.0 PSI 47 47 A 71 LYS C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -96.0 -36.0 PHI 48 48 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 TRP N 1.0 -70.0 -10.0 PSI 49 49 A 72 LYS C A 73 TRP N A 73 TRP CA A 73 TRP C 1.0 -96.0 -36.0 PHI 50 50 A 73 TRP N A 73 TRP CA A 73 TRP C A 74 ALA N 1.0 -72.0 -12.0 PSI 51 51 A 73 TRP C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -95.0 -35.0 PHI 52 52 A 74 ALA N A 74 ALA CA A 74 ALA C A 75 ASP N 1.0 -68.0 -8.0 PSI 53 53 A 74 ALA C A 75 ASP N A 75 ASP CA A 75 ASP C 1.0 -97.0 -37.0 PHI 54 54 A 75 ASP N A 75 ASP CA A 75 ASP C A 76 LYS N 1.0 -56.0 4.0 PSI 55 55 A 79 THR C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -90.0 -30.0 PHI 56 56 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 THR N 1.0 -69.0 -9.0 PSI 57 57 A 80 LEU C A 81 THR N A 81 THR CA A 81 THR C 1.0 -98.0 -38.0 PHI 58 58 A 81 THR N A 81 THR CA A 81 THR C A 82 GLN N 1.0 -71.0 -11.0 PSI 59 59 A 81 THR C A 82 GLN N A 82 GLN CA A 82 GLN C 1.0 -92.0 -32.0 PHI 60 60 A 82 GLN N A 82 GLN CA A 82 GLN C A 83 MET N 1.0 -70.0 -10.0 PSI 61 61 A 82 GLN C A 83 MET N A 83 MET CA A 83 MET C 1.0 -95.0 -35.0 PHI 62 62 A 83 MET N A 83 MET CA A 83 MET C A 84 SER N 1.0 -69.0 -9.0 PSI 63 63 A 83 MET C A 84 SER N A 84 SER CA A 84 SER C 1.0 -96.0 -36.0 PHI 64 64 A 84 SER N A 84 SER CA A 84 SER C A 85 ASN N 1.0 -72.0 -12.0 PSI 65 65 A 84 SER C A 85 ASN N A 85 ASN CA A 85 ASN C 1.0 -91.0 -31.0 PHI 66 66 A 85 ASN N A 85 ASN CA A 85 ASN C A 86 PHE N 1.0 -69.0 -9.0 PSI 67 67 A 85 ASN C A 86 PHE N A 86 PHE CA A 86 PHE C 1.0 -96.0 -36.0 PHI 68 68 A 86 PHE N A 86 PHE CA A 86 PHE C A 87 LEU N 1.0 -59.0 1.0 PSI 69 69 A 95 TYR C A 96 ASP N A 96 ASP CA A 96 ASP C 1.0 -88.0 -28.0 PHI 70 70 A 96 ASP N A 96 ASP CA A 96 ASP C A 97 ARG N 1.0 -72.0 -12.0 PSI 71 71 A 96 ASP C A 97 ARG N A 97 ARG CA A 97 ARG C 1.0 -93.0 -33.0 PHI 72 72 A 97 ARG N A 97 ARG CA A 97 ARG C A 98 VAL N 1.0 -72.0 -12.0 PSI 73 73 A 97 ARG C A 98 VAL N A 98 VAL CA A 98 VAL C 1.0 -96.0 -36.0 PHI 74 74 A 98 VAL N A 98 VAL CA A 98 VAL C A 99 TYR N 1.0 -74.0 -14.0 PSI 75 75 A 98 VAL C A 99 TYR N A 99 TYR CA A 99 TYR C 1.0 -94.0 -34.0 PHI 76 76 A 99 TYR N A 99 TYR CA A 99 TYR C A 100 ASN N 1.0 -76.0 -16.0 PSI 77 77 A 99 TYR C A 100 ASN N A 100 ASN CA A 100 ASN C 1.0 -94.0 -34.0 PHI 78 78 A 100 ASN N A 100 ASN CA A 100 ASN C A 101 GLY N 1.0 -67.0 -7.0 PSI 79 79 A 100 ASN C A 101 GLY N A 101 GLY CA A 101 GLY C 1.0 -98.0 -38.0 PHI 80 80 A 101 GLY N A 101 GLY CA A 101 GLY C A 102 TYR N 1.0 -72.0 -12.0 PSI 81 81 A 101 GLY C A 102 TYR N A 102 TYR CA A 102 TYR C 1.0 -88.0 -28.0 PHI 82 82 A 102 TYR N A 102 TYR CA A 102 TYR C A 103 VAL N 1.0 -74.0 -14.0 PSI 83 83 A 102 TYR C A 103 VAL N A 103 VAL CA A 103 VAL C 1.0 -92.0 -32.0 PHI 84 84 A 103 VAL N A 103 VAL CA A 103 VAL C A 104 ILE N 1.0 -72.0 -12.0 PSI 85 85 A 103 VAL C A 104 ILE N A 104 ILE CA A 104 ILE C 1.0 -93.0 -33.0 PHI 86 86 A 104 ILE N A 104 ILE CA A 104 ILE C A 105 HIS N 1.0 -67.0 -7.0 PSI 87 87 A 104 ILE C A 105 HIS N A 105 HIS CA A 105 HIS C 1.0 -96.0 -36.0 PHI 88 88 A 105 HIS N A 105 HIS CA A 105 HIS C A 106 LEU N 1.0 -70.0 -10.0 PSI 89 89 A 105 HIS C A 106 LEU N A 106 LEU CA A 106 LEU C 1.0 -95.0 -35.0 PHI 90 90 A 106 LEU N A 106 LEU CA A 106 LEU C A 107 ASP N 1.0 -56.0 4.0 PSI stop_ save_