data_nef_c18438_2lso save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code TargetDB HR7057A BMRB 18429 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 SER start . . 2 A 2 HIS middle . . 3 A 3 MET middle . . 4 A 4 GLN middle . . 5 A 5 PRO middle . false 6 A 6 GLY middle . false 7 A 7 LYS middle . . 8 A 8 TYR middle . . 9 A 9 SER middle . . 10 A 10 GLN middle . . 11 A 11 LEU middle . . 12 A 12 VAL middle . . 13 A 13 VAL middle . . 14 A 14 GLU middle . . 15 A 15 THR middle . . 16 A 16 ILE middle . . 17 A 17 ARG middle . . 18 A 18 ARG middle . . 19 A 19 LEU middle . . 20 A 20 GLY middle . false 21 A 21 GLU middle . . 22 A 22 ARG middle . . 23 A 23 ASN middle . . 24 A 24 GLY middle . false 25 A 25 SER middle . . 26 A 26 SER middle . . 27 A 27 LEU middle . . 28 A 28 ALA middle . . 29 A 29 LYS middle . . 30 A 30 ILE middle . . 31 A 31 TYR middle . . 32 A 32 THR middle . . 33 A 33 GLU middle . . 34 A 34 ALA middle . . 35 A 35 LYS middle . . 36 A 36 LYS middle . . 37 A 37 VAL middle . . 38 A 38 PRO middle . false 39 A 39 TRP middle . . 40 A 40 PHE middle . . 41 A 41 ASP middle . . 42 A 42 GLN middle . . 43 A 43 GLN middle . . 44 A 44 ASN middle . . 45 A 45 GLY middle . false 46 A 46 ARG middle . . 47 A 47 THR middle . . 48 A 48 TYR middle . . 49 A 49 LEU middle . . 50 A 50 LYS middle . . 51 A 51 TYR middle . . 52 A 52 SER middle . . 53 A 53 ILE middle . . 54 A 54 LYS middle . . 55 A 55 ALA middle . . 56 A 56 LEU middle . . 57 A 57 VAL middle . . 58 A 58 GLN middle . . 59 A 59 ASN middle . . 60 A 60 ASP middle . . 61 A 61 THR middle . . 62 A 62 LEU middle . . 63 A 63 LEU middle . . 64 A 64 GLN middle . . 65 A 65 VAL middle . . 66 A 66 LYS middle . . 67 A 67 GLY middle . false 68 A 68 THR middle . . 69 A 69 GLY middle . false 70 A 70 ALA middle . . 71 A 71 ASN middle . . 72 A 72 GLY middle . false 73 A 73 SER middle . . 74 A 74 PHE middle . . 75 A 75 LYS middle . . 76 A 76 LEU middle . . 77 A 77 ASN middle . . 78 A 78 ARG middle . . 79 A 79 LYS middle . . 80 A 80 LYS middle . . 81 A 81 LEU middle . . 82 A 82 GLU middle . . 83 A 83 GLY end . false 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 3 MET HA H 1 4.270 0.02 A 3 MET HBx H 1 1.782 0.02 A 3 MET HBy H 1 1.862 0.02 A 3 MET HE% H 1 1.884 0.02 A 3 MET HG2 H 1 2.253 0.02 A 3 MET HG3 H 1 2.253 0.02 A 3 MET C C 13 175.362 0.2 A 3 MET CA C 13 55.318 0.2 A 3 MET CB C 13 32.724 0.2 A 3 MET CE C 13 16.937 0.2 A 3 MET CG C 13 31.663 0.2 A 4 GLN H H 1 8.267 0.02 A 4 GLN HA H 1 4.563 0.02 A 4 GLN HBx H 1 1.863 0.02 A 4 GLN HBy H 1 2.035 0.02 A 4 GLN HE2y H 1 7.477 0.02 A 4 GLN HE2x H 1 6.841 0.02 A 4 GLN HG2 H 1 2.309 0.02 A 4 GLN HG3 H 1 2.309 0.02 A 4 GLN C C 13 173.835 0.2 A 4 GLN CA C 13 53.521 0.2 A 4 GLN CB C 13 28.765 0.2 A 4 GLN CG C 13 33.264 0.2 A 4 GLN N N 15 122.983 0.2 A 4 GLN NE2 N 15 112.134 0.2 A 5 PRO HA H 1 3.968 0.02 A 5 PRO HBx H 1 1.895 0.02 A 5 PRO HBy H 1 2.177 0.02 A 5 PRO HDx H 1 3.593 0.02 A 5 PRO HDy H 1 3.704 0.02 A 5 PRO HGx H 1 1.884 0.02 A 5 PRO HGy H 1 2.031 0.02 A 5 PRO CA C 13 63.992 0.2 A 5 PRO CB C 13 31.696 0.2 A 5 PRO CD C 13 50.547 0.2 A 5 PRO CG C 13 27.442 0.2 A 6 GLY HAx H 1 3.853 0.02 A 6 GLY HAy H 1 3.934 0.02 A 6 GLY C C 13 175.512 0.2 A 6 GLY CA C 13 46.036 0.2 A 7 LYS H H 1 7.788 0.02 A 7 LYS HA H 1 4.152 0.02 A 7 LYS HB2 H 1 1.503 0.02 A 7 LYS HB3 H 1 1.503 0.02 A 7 LYS HD2 H 1 1.018 0.02 A 7 LYS HD3 H 1 1.018 0.02 A 7 LYS HEx H 1 2.197 0.02 A 7 LYS HEy H 1 2.285 0.02 A 7 LYS HG2 H 1 1.041 0.02 A 7 LYS HG3 H 1 1.041 0.02 A 7 LYS C C 13 179.107 0.2 A 7 LYS CA C 13 57.955 0.2 A 7 LYS CB C 13 31.641 0.2 A 7 LYS CD C 13 28.515 0.2 A 7 LYS CE C 13 41.296 0.2 A 7 LYS CG C 13 24.297 0.2 A 7 LYS N N 15 121.187 0.2 A 8 TYR H H 1 8.197 0.02 A 8 TYR HA H 1 4.302 0.02 A 8 TYR HB2 H 1 3.149 0.02 A 8 TYR HB3 H 1 2.914 0.02 A 8 TYR HD1 H 1 7.228 0.02 A 8 TYR HD2 H 1 7.228 0.02 A 8 TYR HE1 H 1 6.846 0.02 A 8 TYR HE2 H 1 6.846 0.02 A 8 TYR C C 13 177.544 0.2 A 8 TYR CA C 13 63.600 0.2 A 8 TYR CB C 13 38.170 0.2 A 8 TYR CD1 C 13 132.379 0.2 A 8 TYR CD2 C 13 132.379 0.2 A 8 TYR CE1 C 13 118.650 0.2 A 8 TYR CE2 C 13 118.650 0.2 A 8 TYR N N 15 119.428 0.2 A 9 SER H H 1 8.279 0.02 A 9 SER HA H 1 4.241 0.02 A 9 SER HBx H 1 4.009 0.02 A 9 SER HBy H 1 4.101 0.02 A 9 SER C C 13 175.982 0.2 A 9 SER CA C 13 62.258 0.2 A 9 SER CB C 13 62.254 0.2 A 9 SER N N 15 116.845 0.2 A 10 GLN H H 1 7.765 0.02 A 10 GLN HA H 1 4.086 0.02 A 10 GLN HB2 H 1 2.169 0.02 A 10 GLN HB3 H 1 2.169 0.02 A 10 GLN HE2y H 1 7.689 0.02 A 10 GLN HE2x H 1 6.820 0.02 A 10 GLN HGx H 1 2.420 0.02 A 10 GLN HGy H 1 2.483 0.02 A 10 GLN C C 13 177.779 0.2 A 10 GLN CA C 13 58.742 0.2 A 10 GLN CB C 13 27.900 0.2 A 10 GLN CG C 13 33.446 0.2 A 10 GLN N N 15 120.862 0.2 A 10 GLN NE2 N 15 111.779 0.2 A 11 LEU H H 1 7.805 0.02 A 11 LEU HA H 1 4.394 0.02 A 11 LEU HB2 H 1 1.930 0.02 A 11 LEU HB3 H 1 2.289 0.02 A 11 LEU HD1% H 1 0.934 0.02 A 11 LEU HD2% H 1 0.876 0.02 A 11 LEU HG H 1 1.447 0.02 A 11 LEU C C 13 180.357 0.2 A 11 LEU CA C 13 57.715 0.2 A 11 LEU CB C 13 41.938 0.2 A 11 LEU CD1 C 13 23.762 0.2 A 11 LEU CD2 C 13 26.262 0.2 A 11 LEU CG C 13 27.462 0.2 A 11 LEU N N 15 119.752 0.2 A 12 VAL H H 1 8.355 0.02 A 12 VAL HA H 1 3.331 0.02 A 12 VAL HB H 1 2.383 0.02 A 12 VAL HG1% H 1 0.812 0.02 A 12 VAL HG2% H 1 1.208 0.02 A 12 VAL C C 13 176.841 0.2 A 12 VAL CA C 13 68.417 0.2 A 12 VAL CB C 13 31.319 0.2 A 12 VAL CG1 C 13 23.085 0.2 A 12 VAL CG2 C 13 24.585 0.2 A 12 VAL N N 15 122.619 0.2 A 13 VAL H H 1 7.636 0.02 A 13 VAL HA H 1 3.394 0.02 A 13 VAL HB H 1 2.165 0.02 A 13 VAL HG1% H 1 0.963 0.02 A 13 VAL HG2% H 1 1.062 0.02 A 13 VAL C C 13 177.622 0.2 A 13 VAL CA C 13 67.767 0.2 A 13 VAL CB C 13 31.904 0.2 A 13 VAL CG1 C 13 20.990 0.2 A 13 VAL CG2 C 13 23.104 0.2 A 13 VAL N N 15 118.472 0.2 A 14 GLU H H 1 8.642 0.02 A 14 GLU HA H 1 4.074 0.02 A 14 GLU HBx H 1 2.063 0.02 A 14 GLU HBy H 1 2.160 0.02 A 14 GLU HGx H 1 2.409 0.02 A 14 GLU HGy H 1 2.454 0.02 A 14 GLU C C 13 179.576 0.2 A 14 GLU CA C 13 58.829 0.2 A 14 GLU CB C 13 29.400 0.2 A 14 GLU CG C 13 36.127 0.2 A 14 GLU N N 15 117.137 0.2 A 15 THR H H 1 8.354 0.02 A 15 THR HA H 1 3.859 0.02 A 15 THR HB H 1 4.279 0.02 A 15 THR HG1 H 1 5.310 0.02 A 15 THR HG2% H 1 1.270 0.02 A 15 THR C C 13 175.669 0.2 A 15 THR CA C 13 67.743 0.2 A 15 THR CB C 13 67.761 0.2 A 15 THR CG2 C 13 22.219 0.2 A 15 THR N N 15 116.678 0.2 A 16 ILE H H 1 8.342 0.02 A 16 ILE HA H 1 3.504 0.02 A 16 ILE HB H 1 1.868 0.02 A 16 ILE HD1% H 1 0.782 0.02 A 16 ILE HG1x H 1 0.825 0.02 A 16 ILE HG1y H 1 2.032 0.02 A 16 ILE HG2% H 1 1.055 0.02 A 16 ILE C C 13 179.576 0.2 A 16 ILE CA C 13 66.854 0.2 A 16 ILE CB C 13 38.208 0.2 A 16 ILE CD1 C 13 16.139 0.2 A 16 ILE CG1 C 13 31.162 0.2 A 16 ILE CG2 C 13 17.781 0.2 A 16 ILE N N 15 121.241 0.2 A 17 ARG H H 1 8.496 0.02 A 17 ARG HA H 1 3.982 0.02 A 17 ARG HB2 H 1 1.952 0.02 A 17 ARG HB3 H 1 1.952 0.02 A 17 ARG HD2 H 1 3.218 0.02 A 17 ARG HD3 H 1 3.218 0.02 A 17 ARG HGx H 1 1.553 0.02 A 17 ARG HGy H 1 1.704 0.02 A 17 ARG C C 13 178.482 0.2 A 17 ARG CA C 13 59.527 0.2 A 17 ARG CB C 13 30.302 0.2 A 17 ARG CD C 13 43.306 0.2 A 17 ARG CG C 13 27.063 0.2 A 17 ARG N N 15 120.540 0.2 A 18 ARG H H 1 8.257 0.02 A 18 ARG HA H 1 3.990 0.02 A 18 ARG HBx H 1 1.897 0.02 A 18 ARG HBy H 1 1.956 0.02 A 18 ARG HD2 H 1 3.213 0.02 A 18 ARG HD3 H 1 3.213 0.02 A 18 ARG HE H 1 7.420 0.02 A 18 ARG HGx H 1 1.635 0.02 A 18 ARG HGy H 1 1.708 0.02 A 18 ARG C C 13 178.794 0.2 A 18 ARG CA C 13 59.015 0.2 A 18 ARG CB C 13 30.111 0.2 A 18 ARG CD C 13 43.161 0.2 A 18 ARG CG C 13 27.492 0.2 A 18 ARG N N 15 118.955 0.2 A 18 ARG NE N 15 83.625 0.2 A 19 LEU H H 1 8.179 0.02 A 19 LEU HA H 1 4.053 0.02 A 19 LEU HB2 H 1 1.959 0.02 A 19 LEU HB3 H 1 1.391 0.02 A 19 LEU HD1% H 1 0.774 0.02 A 19 LEU HD2% H 1 0.827 0.02 A 19 LEU HG H 1 1.883 0.02 A 19 LEU C C 13 179.419 0.2 A 19 LEU CA C 13 57.102 0.2 A 19 LEU CB C 13 42.296 0.2 A 19 LEU CD1 C 13 26.177 0.2 A 19 LEU CD2 C 13 22.361 0.2 A 19 LEU CG C 13 27.098 0.2 A 19 LEU N N 15 118.486 0.2 A 20 GLY H H 1 7.520 0.02 A 20 GLY HAy H 1 3.892 0.02 A 20 GLY HAx H 1 3.676 0.02 A 20 GLY C C 13 175.200 0.2 A 20 GLY CA C 13 47.485 0.2 A 20 GLY N N 15 104.303 0.2 A 21 GLU H H 1 8.674 0.02 A 21 GLU HA H 1 4.220 0.02 A 21 GLU HBx H 1 1.704 0.02 A 21 GLU HBy H 1 2.065 0.02 A 21 GLU HGx H 1 2.012 0.02 A 21 GLU HGy H 1 2.120 0.02 A 21 GLU C C 13 179.280 0.2 A 21 GLU CA C 13 57.569 0.2 A 21 GLU CB C 13 29.980 0.2 A 21 GLU CG C 13 39.204 0.2 A 21 GLU N N 15 118.725 0.2 A 22 ARG HA H 1 4.005 0.02 A 22 ARG HBx H 1 1.781 0.02 A 22 ARG HBy H 1 1.916 0.02 A 22 ARG HD2 H 1 3.234 0.02 A 22 ARG HD3 H 1 3.234 0.02 A 22 ARG HGx H 1 1.642 0.02 A 22 ARG HGy H 1 1.697 0.02 A 22 ARG C C 13 177.150 0.2 A 22 ARG CA C 13 59.467 0.2 A 22 ARG CB C 13 29.953 0.2 A 22 ARG CD C 13 43.014 0.2 A 22 ARG CG C 13 26.919 0.2 A 23 ASN H H 1 8.662 0.02 A 23 ASN HA H 1 4.998 0.02 A 23 ASN HBy H 1 2.988 0.02 A 23 ASN HBx H 1 2.662 0.02 A 23 ASN HD2y H 1 7.595 0.02 A 23 ASN HD2x H 1 6.885 0.02 A 23 ASN C C 13 174.888 0.2 A 23 ASN CA C 13 51.900 0.2 A 23 ASN CB C 13 38.504 0.2 A 23 ASN N N 15 114.707 0.2 A 23 ASN ND2 N 15 113.332 0.2 A 24 GLY H H 1 7.130 0.02 A 24 GLY HA2 H 1 4.028 0.02 A 24 GLY HA3 H 1 3.832 0.02 A 24 GLY C C 13 172.075 0.2 A 24 GLY CA C 13 44.700 0.2 A 24 GLY N N 15 104.147 0.2 A 25 SER H H 1 8.661 0.02 A 25 SER HA H 1 5.329 0.02 A 25 SER HBy H 1 3.956 0.02 A 25 SER HBx H 1 3.419 0.02 A 25 SER HG H 1 7.638 0.02 A 25 SER C C 13 173.716 0.2 A 25 SER CA C 13 57.259 0.2 A 25 SER CB C 13 66.600 0.2 A 25 SER N N 15 113.134 0.2 A 26 SER H H 1 8.841 0.02 A 26 SER HA H 1 4.962 0.02 A 26 SER HBx H 1 4.035 0.02 A 26 SER HBy H 1 4.445 0.02 A 26 SER C C 13 174.732 0.2 A 26 SER CA C 13 56.600 0.2 A 26 SER CB C 13 65.369 0.2 A 26 SER N N 15 121.159 0.2 A 27 LEU H H 1 9.303 0.02 A 27 LEU HA H 1 4.105 0.02 A 27 LEU HBx H 1 1.731 0.02 A 27 LEU HBy H 1 1.968 0.02 A 27 LEU HD1% H 1 0.919 0.02 A 27 LEU HD2% H 1 0.931 0.02 A 27 LEU HG H 1 1.631 0.02 A 27 LEU C C 13 177.935 0.2 A 27 LEU CA C 13 58.827 0.2 A 27 LEU CB C 13 40.941 0.2 A 27 LEU CD1 C 13 23.698 0.2 A 27 LEU CD2 C 13 25.820 0.2 A 27 LEU CG C 13 27.661 0.2 A 27 LEU N N 15 121.372 0.2 A 28 ALA H H 1 8.509 0.02 A 28 ALA HA H 1 4.162 0.02 A 28 ALA HB% H 1 1.487 0.02 A 28 ALA C C 13 180.279 0.2 A 28 ALA CA C 13 55.725 0.2 A 28 ALA CB C 13 18.247 0.2 A 28 ALA N N 15 119.606 0.2 A 29 LYS H H 1 7.873 0.02 A 29 LYS HA H 1 4.129 0.02 A 29 LYS HB2 H 1 2.003 0.02 A 29 LYS HB3 H 1 2.003 0.02 A 29 LYS HDx H 1 1.811 0.02 A 29 LYS HDy H 1 1.902 0.02 A 29 LYS HE2 H 1 2.986 0.02 A 29 LYS HE3 H 1 2.986 0.02 A 29 LYS HGx H 1 1.476 0.02 A 29 LYS HGy H 1 1.695 0.02 A 29 LYS C C 13 178.950 0.2 A 29 LYS CA C 13 58.585 0.2 A 29 LYS CB C 13 32.483 0.2 A 29 LYS CD C 13 28.622 0.2 A 29 LYS CE C 13 41.998 0.2 A 29 LYS CG C 13 24.778 0.2 A 29 LYS N N 15 120.138 0.2 A 30 ILE H H 1 8.505 0.02 A 30 ILE HA H 1 3.505 0.02 A 30 ILE HB H 1 2.000 0.02 A 30 ILE HD1% H 1 0.804 0.02 A 30 ILE HG1x H 1 0.715 0.02 A 30 ILE HG1y H 1 1.980 0.02 A 30 ILE HG2% H 1 0.964 0.02 A 30 ILE C C 13 177.466 0.2 A 30 ILE CA C 13 65.361 0.2 A 30 ILE CB C 13 38.622 0.2 A 30 ILE CD1 C 13 14.800 0.2 A 30 ILE CG1 C 13 29.720 0.2 A 30 ILE CG2 C 13 17.024 0.2 A 30 ILE N N 15 119.535 0.2 A 31 TYR H H 1 9.231 0.02 A 31 TYR HA H 1 3.968 0.02 A 31 TYR HB2 H 1 3.007 0.02 A 31 TYR HB3 H 1 3.214 0.02 A 31 TYR HD1 H 1 7.080 0.02 A 31 TYR HD2 H 1 7.080 0.02 A 31 TYR HE1 H 1 6.929 0.02 A 31 TYR HE2 H 1 6.929 0.02 A 31 TYR C C 13 175.513 0.2 A 31 TYR CA C 13 60.900 0.2 A 31 TYR CB C 13 37.939 0.2 A 31 TYR CD1 C 13 132.722 0.2 A 31 TYR CD2 C 13 132.722 0.2 A 31 TYR CE1 C 13 118.115 0.2 A 31 TYR CE2 C 13 118.115 0.2 A 31 TYR N N 15 119.439 0.2 A 32 THR H H 1 7.936 0.02 A 32 THR HA H 1 3.314 0.02 A 32 THR HB H 1 4.285 0.02 A 32 THR HG2% H 1 1.218 0.02 A 32 THR C C 13 175.435 0.2 A 32 THR CA C 13 66.900 0.2 A 32 THR CB C 13 68.631 0.2 A 32 THR CG2 C 13 21.698 0.2 A 32 THR N N 15 113.378 0.2 A 33 GLU H H 1 7.359 0.02 A 33 GLU HA H 1 4.050 0.02 A 33 GLU HB2 H 1 1.916 0.02 A 33 GLU HB3 H 1 1.916 0.02 A 33 GLU HG2 H 1 2.331 0.02 A 33 GLU HG3 H 1 2.160 0.02 A 33 GLU C C 13 178.716 0.2 A 33 GLU CA C 13 57.200 0.2 A 33 GLU CB C 13 29.963 0.2 A 33 GLU CG C 13 35.610 0.2 A 33 GLU N N 15 117.565 0.2 A 34 ALA H H 1 8.940 0.02 A 34 ALA HA H 1 3.629 0.02 A 34 ALA HB% H 1 1.045 0.02 A 34 ALA C C 13 177.232 0.2 A 34 ALA CA C 13 54.654 0.2 A 34 ALA CB C 13 18.291 0.2 A 34 ALA N N 15 124.323 0.2 A 35 LYS H H 1 7.277 0.02 A 35 LYS HA H 1 2.779 0.02 A 35 LYS HB2 H 1 0.839 0.02 A 35 LYS HB3 H 1 1.465 0.02 A 35 LYS HD2 H 1 1.072 0.02 A 35 LYS HD3 H 1 1.222 0.02 A 35 LYS HEx H 1 2.725 0.02 A 35 LYS HEy H 1 2.784 0.02 A 35 LYS HG2 H 1 1.185 0.02 A 35 LYS HG3 H 1 0.816 0.02 A 35 LYS C C 13 176.060 0.2 A 35 LYS CA C 13 56.704 0.2 A 35 LYS CB C 13 30.798 0.2 A 35 LYS CD C 13 29.100 0.2 A 35 LYS CE C 13 41.300 0.2 A 35 LYS CG C 13 22.878 0.2 A 35 LYS N N 15 110.920 0.2 A 36 LYS H H 1 6.808 0.02 A 36 LYS HA H 1 3.920 0.02 A 36 LYS HB2 H 1 1.572 0.02 A 36 LYS HB3 H 1 1.859 0.02 A 36 LYS HD2 H 1 1.630 0.02 A 36 LYS HD3 H 1 1.630 0.02 A 36 LYS HE2 H 1 2.865 0.02 A 36 LYS HE3 H 1 2.865 0.02 A 36 LYS HG2 H 1 1.261 0.02 A 36 LYS HG3 H 1 1.405 0.02 A 36 LYS C C 13 177.544 0.2 A 36 LYS CA C 13 56.783 0.2 A 36 LYS CB C 13 33.044 0.2 A 36 LYS CD C 13 29.583 0.2 A 36 LYS CE C 13 41.980 0.2 A 36 LYS CG C 13 25.408 0.2 A 36 LYS N N 15 116.850 0.2 A 37 VAL H H 1 7.413 0.02 A 37 VAL HA H 1 4.144 0.02 A 37 VAL HB H 1 1.735 0.02 A 37 VAL HG1% H 1 0.289 0.02 A 37 VAL HG2% H 1 0.408 0.02 A 37 VAL C C 13 177.134 0.2 A 37 VAL CA C 13 60.228 0.2 A 37 VAL CB C 13 31.061 0.2 A 37 VAL CG1 C 13 19.980 0.2 A 37 VAL CG2 C 13 20.286 0.2 A 37 VAL N N 15 120.331 0.2 A 38 PRO HA H 1 4.306 0.02 A 38 PRO HBy H 1 2.442 0.02 A 38 PRO HBx H 1 2.106 0.02 A 38 PRO HD2 H 1 3.718 0.02 A 38 PRO HD3 H 1 3.917 0.02 A 38 PRO HG2 H 1 2.161 0.02 A 38 PRO HG3 H 1 2.161 0.02 A 38 PRO C C 13 176.763 0.2 A 38 PRO CA C 13 65.420 0.2 A 38 PRO CB C 13 31.961 0.2 A 38 PRO CD C 13 50.941 0.2 A 38 PRO CG C 13 27.761 0.2 A 39 TRP H H 1 6.356 0.02 A 39 TRP HA H 1 4.724 0.02 A 39 TRP HBy H 1 3.707 0.02 A 39 TRP HBx H 1 3.116 0.02 A 39 TRP HD1 H 1 7.379 0.02 A 39 TRP HE1 H 1 10.477 0.02 A 39 TRP HE3 H 1 7.313 0.02 A 39 TRP HH2 H 1 6.550 0.02 A 39 TRP HZ2 H 1 7.438 0.02 A 39 TRP HZ3 H 1 5.773 0.02 A 39 TRP C C 13 176.216 0.2 A 39 TRP CA C 13 53.500 0.2 A 39 TRP CB C 13 28.927 0.2 A 39 TRP CD1 C 13 128.101 0.2 A 39 TRP CE3 C 13 121.038 0.2 A 39 TRP CH2 C 13 125.534 0.2 A 39 TRP CZ2 C 13 114.707 0.2 A 39 TRP CZ3 C 13 121.049 0.2 A 39 TRP N N 15 110.211 0.2 A 39 TRP NE1 N 15 132.143 0.2 A 40 PHE H H 1 7.282 0.02 A 40 PHE HA H 1 3.696 0.02 A 40 PHE HB2 H 1 2.522 0.02 A 40 PHE HB3 H 1 2.854 0.02 A 40 PHE HD1 H 1 6.786 0.02 A 40 PHE HD2 H 1 6.786 0.02 A 40 PHE HE1 H 1 7.279 0.02 A 40 PHE HE2 H 1 7.279 0.02 A 40 PHE HZ H 1 7.038 0.02 A 40 PHE C C 13 174.966 0.2 A 40 PHE CA C 13 60.208 0.2 A 40 PHE CB C 13 39.778 0.2 A 40 PHE CD1 C 13 132.805 0.2 A 40 PHE CD2 C 13 132.805 0.2 A 40 PHE CE1 C 13 130.729 0.2 A 40 PHE CE2 C 13 130.729 0.2 A 40 PHE CZ C 13 127.923 0.2 A 40 PHE N N 15 124.624 0.2 A 41 ASP H H 1 7.038 0.02 A 41 ASP HA H 1 4.642 0.02 A 41 ASP HB2 H 1 2.802 0.02 A 41 ASP HB3 H 1 2.516 0.02 A 41 ASP C C 13 175.904 0.2 A 41 ASP CA C 13 53.329 0.2 A 41 ASP CB C 13 41.280 0.2 A 41 ASP N N 15 127.204 0.2 A 42 GLN H H 1 9.072 0.02 A 42 GLN HA H 1 4.177 0.02 A 42 GLN HB2 H 1 2.015 0.02 A 42 GLN HB3 H 1 2.404 0.02 A 42 GLN HE21 H 1 7.896 0.02 A 42 GLN HE22 H 1 7.126 0.02 A 42 GLN HG2 H 1 2.665 0.02 A 42 GLN HG3 H 1 2.729 0.02 A 42 GLN C C 13 178.169 0.2 A 42 GLN CA C 13 57.959 0.2 A 42 GLN CB C 13 27.522 0.2 A 42 GLN CG C 13 33.161 0.2 A 42 GLN N N 15 125.531 0.2 A 42 GLN NE2 N 15 113.977 0.2 A 43 GLN H H 1 8.356 0.02 A 43 GLN HA H 1 4.327 0.02 A 43 GLN HBx H 1 2.049 0.02 A 43 GLN HBy H 1 2.135 0.02 A 43 GLN HE2y H 1 7.574 0.02 A 43 GLN HE2x H 1 6.882 0.02 A 43 GLN HG2 H 1 2.341 0.02 A 43 GLN HG3 H 1 2.341 0.02 A 43 GLN C C 13 177.154 0.2 A 43 GLN CA C 13 58.141 0.2 A 43 GLN CB C 13 29.254 0.2 A 43 GLN CG C 13 33.761 0.2 A 43 GLN N N 15 118.221 0.2 A 43 GLN NE2 N 15 112.325 0.2 A 44 ASN H H 1 8.163 0.02 A 44 ASN HA H 1 4.731 0.02 A 44 ASN HBy H 1 2.023 0.02 A 44 ASN HBx H 1 1.914 0.02 A 44 ASN HD2y H 1 7.942 0.02 A 44 ASN HD2x H 1 7.056 0.02 A 44 ASN C C 13 175.200 0.2 A 44 ASN CA C 13 52.600 0.2 A 44 ASN CB C 13 41.059 0.2 A 44 ASN N N 15 115.402 0.2 A 44 ASN ND2 N 15 116.665 0.2 A 45 GLY H H 1 8.094 0.02 A 45 GLY HA2 H 1 3.126 0.02 A 45 GLY HA3 H 1 3.615 0.02 A 45 GLY C C 13 175.200 0.2 A 45 GLY CA C 13 48.200 0.2 A 45 GLY N N 15 109.680 0.2 A 46 ARG H H 1 8.893 0.02 A 46 ARG HA H 1 3.889 0.02 A 46 ARG HB2 H 1 1.537 0.02 A 46 ARG HB3 H 1 1.719 0.02 A 46 ARG HDx H 1 2.571 0.02 A 46 ARG HDy H 1 2.786 0.02 A 46 ARG HGx H 1 1.046 0.02 A 46 ARG HGy H 1 1.362 0.02 A 46 ARG C C 13 178.091 0.2 A 46 ARG CA C 13 60.870 0.2 A 46 ARG CB C 13 29.283 0.2 A 46 ARG CD C 13 42.878 0.2 A 46 ARG CG C 13 28.258 0.2 A 46 ARG N N 15 121.367 0.2 A 47 THR H H 1 7.397 0.02 A 47 THR HA H 1 3.668 0.02 A 47 THR HB H 1 4.026 0.02 A 47 THR HG2% H 1 1.013 0.02 A 47 THR C C 13 176.060 0.2 A 47 THR CA C 13 66.345 0.2 A 47 THR CB C 13 67.794 0.2 A 47 THR CG2 C 13 22.058 0.2 A 47 THR N N 15 116.630 0.2 A 48 TYR H H 1 7.529 0.02 A 48 TYR HA H 1 4.413 0.02 A 48 TYR HB2 H 1 2.321 0.02 A 48 TYR HB3 H 1 2.321 0.02 A 48 TYR HD1 H 1 6.454 0.02 A 48 TYR HD2 H 1 6.454 0.02 A 48 TYR HE1 H 1 6.697 0.02 A 48 TYR HE2 H 1 6.697 0.02 A 48 TYR C C 13 180.279 0.2 A 48 TYR CA C 13 57.920 0.2 A 48 TYR CB C 13 35.100 0.2 A 48 TYR CD1 C 13 131.194 0.2 A 48 TYR CD2 C 13 131.194 0.2 A 48 TYR CE1 C 13 117.623 0.2 A 48 TYR CE2 C 13 117.623 0.2 A 48 TYR N N 15 120.826 0.2 A 49 LEU H H 1 8.847 0.02 A 49 LEU HA H 1 4.063 0.02 A 49 LEU HB2 H 1 2.317 0.02 A 49 LEU HB3 H 1 1.370 0.02 A 49 LEU HD1% H 1 1.174 0.02 A 49 LEU HD2% H 1 1.095 0.02 A 49 LEU HG H 1 2.386 0.02 A 49 LEU C C 13 178.091 0.2 A 49 LEU CA C 13 58.259 0.2 A 49 LEU CB C 13 42.259 0.2 A 49 LEU CD1 C 13 26.861 0.2 A 49 LEU CD2 C 13 23.777 0.2 A 49 LEU CG C 13 26.154 0.2 A 49 LEU N N 15 120.670 0.2 A 50 LYS H H 1 8.001 0.02 A 50 LYS HA H 1 3.770 0.02 A 50 LYS HB2 H 1 1.939 0.02 A 50 LYS HB3 H 1 1.939 0.02 A 50 LYS HD2 H 1 1.640 0.02 A 50 LYS HD3 H 1 1.640 0.02 A 50 LYS HE2 H 1 2.865 0.02 A 50 LYS HE3 H 1 2.865 0.02 A 50 LYS HGx H 1 1.289 0.02 A 50 LYS HGy H 1 1.616 0.02 A 50 LYS C C 13 179.263 0.2 A 50 LYS CA C 13 60.637 0.2 A 50 LYS CB C 13 31.998 0.2 A 50 LYS CD C 13 29.556 0.2 A 50 LYS CE C 13 41.661 0.2 A 50 LYS CG C 13 25.485 0.2 A 50 LYS N N 15 119.596 0.2 A 51 TYR H H 1 8.274 0.02 A 51 TYR HA H 1 4.299 0.02 A 51 TYR HB2 H 1 3.203 0.02 A 51 TYR HB3 H 1 3.203 0.02 A 51 TYR HD1 H 1 7.158 0.02 A 51 TYR HD2 H 1 7.158 0.02 A 51 TYR HE1 H 1 6.815 0.02 A 51 TYR HE2 H 1 6.815 0.02 A 51 TYR C C 13 179.107 0.2 A 51 TYR CA C 13 60.238 0.2 A 51 TYR CB C 13 37.337 0.2 A 51 TYR CD1 C 13 132.258 0.2 A 51 TYR CD2 C 13 132.258 0.2 A 51 TYR CE1 C 13 118.033 0.2 A 51 TYR CE2 C 13 118.033 0.2 A 51 TYR N N 15 118.606 0.2 A 52 SER H H 1 8.303 0.02 A 52 SER HA H 1 4.227 0.02 A 52 SER HBx H 1 3.811 0.02 A 52 SER HBy H 1 4.126 0.02 A 52 SER C C 13 175.669 0.2 A 52 SER CA C 13 63.312 0.2 A 52 SER CB C 13 63.520 0.2 A 52 SER N N 15 117.699 0.2 A 53 ILE H H 1 8.543 0.02 A 53 ILE HA H 1 3.281 0.02 A 53 ILE HB H 1 1.582 0.02 A 53 ILE HD1% H 1 0.462 0.02 A 53 ILE HG12 H 1 0.408 0.02 A 53 ILE HG13 H 1 1.676 0.02 A 53 ILE HG2% H 1 -0.115 0.02 A 53 ILE C C 13 176.685 0.2 A 53 ILE CA C 13 66.039 0.2 A 53 ILE CB C 13 37.522 0.2 A 53 ILE CD1 C 13 13.798 0.2 A 53 ILE CG1 C 13 31.327 0.2 A 53 ILE CG2 C 13 16.241 0.2 A 53 ILE N N 15 121.571 0.2 A 54 LYS H H 1 7.572 0.02 A 54 LYS HA H 1 3.877 0.02 A 54 LYS HB2 H 1 1.897 0.02 A 54 LYS HB3 H 1 1.897 0.02 A 54 LYS HD2 H 1 1.688 0.02 A 54 LYS HD3 H 1 1.688 0.02 A 54 LYS HE2 H 1 2.981 0.02 A 54 LYS HE3 H 1 2.981 0.02 A 54 LYS HGx H 1 1.375 0.02 A 54 LYS HGy H 1 1.543 0.02 A 54 LYS C C 13 179.107 0.2 A 54 LYS CA C 13 59.852 0.2 A 54 LYS CB C 13 32.014 0.2 A 54 LYS CD C 13 29.283 0.2 A 54 LYS CE C 13 41.976 0.2 A 54 LYS CG C 13 24.798 0.2 A 54 LYS N N 15 117.799 0.2 A 55 ALA H H 1 7.669 0.02 A 55 ALA HA H 1 4.115 0.02 A 55 ALA HB% H 1 1.471 0.02 A 55 ALA C C 13 180.201 0.2 A 55 ALA CA C 13 54.997 0.2 A 55 ALA CB C 13 17.920 0.2 A 55 ALA N N 15 121.284 0.2 A 56 LEU H H 1 8.302 0.02 A 56 LEU HA H 1 4.420 0.02 A 56 LEU HB2 H 1 1.987 0.02 A 56 LEU HB3 H 1 1.283 0.02 A 56 LEU HD1% H 1 0.846 0.02 A 56 LEU HD2% H 1 0.900 0.02 A 56 LEU HG H 1 2.013 0.02 A 56 LEU C C 13 179.966 0.2 A 56 LEU CA C 13 56.094 0.2 A 56 LEU CB C 13 42.361 0.2 A 56 LEU CD1 C 13 26.163 0.2 A 56 LEU CD2 C 13 22.598 0.2 A 56 LEU CG C 13 26.531 0.2 A 56 LEU N N 15 119.236 0.2 A 57 VAL H H 1 8.555 0.02 A 57 VAL HA H 1 4.367 0.02 A 57 VAL HB H 1 2.236 0.02 A 57 VAL HG1% H 1 1.092 0.02 A 57 VAL HG2% H 1 1.071 0.02 A 57 VAL C C 13 180.669 0.2 A 57 VAL CA C 13 65.106 0.2 A 57 VAL CB C 13 32.006 0.2 A 57 VAL CG1 C 13 21.356 0.2 A 57 VAL CG2 C 13 23.800 0.2 A 57 VAL N N 15 122.357 0.2 A 58 GLN H H 1 8.078 0.02 A 58 GLN HA H 1 4.125 0.02 A 58 GLN HBx H 1 2.193 0.02 A 58 GLN HBy H 1 2.259 0.02 A 58 GLN HE2y H 1 7.510 0.02 A 58 GLN HE2x H 1 6.863 0.02 A 58 GLN HGx H 1 2.469 0.02 A 58 GLN HGy H 1 2.590 0.02 A 58 GLN C C 13 177.154 0.2 A 58 GLN CA C 13 58.820 0.2 A 58 GLN CB C 13 28.200 0.2 A 58 GLN CG C 13 34.112 0.2 A 58 GLN N N 15 120.472 0.2 A 58 GLN NE2 N 15 111.690 0.2 A 59 ASN H H 1 7.704 0.02 A 59 ASN HA H 1 4.879 0.02 A 59 ASN HBx H 1 2.813 0.02 A 59 ASN HBy H 1 3.254 0.02 A 59 ASN HD21 H 1 7.490 0.02 A 59 ASN HD22 H 1 6.463 0.02 A 59 ASN C C 13 175.122 0.2 A 59 ASN CA C 13 51.580 0.2 A 59 ASN CB C 13 37.696 0.2 A 59 ASN N N 15 114.176 0.2 A 59 ASN ND2 N 15 108.906 0.2 A 60 ASP H H 1 7.900 0.02 A 60 ASP HA H 1 4.463 0.02 A 60 ASP HBx H 1 2.888 0.02 A 60 ASP HBy H 1 2.947 0.02 A 60 ASP C C 13 175.279 0.2 A 60 ASP CA C 13 56.072 0.2 A 60 ASP CB C 13 39.909 0.2 A 60 ASP N N 15 113.376 0.2 A 61 THR H H 1 8.776 0.02 A 61 THR HA H 1 4.097 0.02 A 61 THR HB H 1 4.315 0.02 A 61 THR HG2% H 1 1.240 0.02 A 61 THR C C 13 174.966 0.2 A 61 THR CA C 13 67.141 0.2 A 61 THR CB C 13 68.143 0.2 A 61 THR CG2 C 13 21.559 0.2 A 61 THR N N 15 117.382 0.2 A 62 LEU H H 1 7.653 0.02 A 62 LEU HA H 1 5.163 0.02 A 62 LEU HB2 H 1 1.418 0.02 A 62 LEU HB3 H 1 1.418 0.02 A 62 LEU HD1% H 1 0.697 0.02 A 62 LEU HD2% H 1 0.773 0.02 A 62 LEU HG H 1 1.542 0.02 A 62 LEU C C 13 175.122 0.2 A 62 LEU CA C 13 51.841 0.2 A 62 LEU CB C 13 45.465 0.2 A 62 LEU CD1 C 13 25.891 0.2 A 62 LEU CD2 C 13 24.341 0.2 A 62 LEU CG C 13 27.539 0.2 A 62 LEU N N 15 118.406 0.2 A 63 LEU H H 1 9.145 0.02 A 63 LEU HA H 1 4.650 0.02 A 63 LEU HB2 H 1 1.445 0.02 A 63 LEU HB3 H 1 1.445 0.02 A 63 LEU HD1% H 1 0.884 0.02 A 63 LEU HD2% H 1 0.867 0.02 A 63 LEU HG H 1 1.359 0.02 A 63 LEU C C 13 175.904 0.2 A 63 LEU CA C 13 53.024 0.2 A 63 LEU CB C 13 44.041 0.2 A 63 LEU CD1 C 13 25.339 0.2 A 63 LEU CD2 C 13 23.461 0.2 A 63 LEU CG C 13 26.978 0.2 A 63 LEU N N 15 119.075 0.2 A 64 GLN H H 1 8.995 0.02 A 64 GLN HA H 1 4.576 0.02 A 64 GLN HBy H 1 2.063 0.02 A 64 GLN HBx H 1 1.927 0.02 A 64 GLN HE2y H 1 7.171 0.02 A 64 GLN HE2x H 1 6.905 0.02 A 64 GLN HGx H 1 1.858 0.02 A 64 GLN HGy H 1 2.077 0.02 A 64 GLN C C 13 175.435 0.2 A 64 GLN CA C 13 55.026 0.2 A 64 GLN CB C 13 29.256 0.2 A 64 GLN CG C 13 33.761 0.2 A 64 GLN N N 15 123.978 0.2 A 64 GLN NE2 N 15 111.336 0.2 A 65 VAL H H 1 8.520 0.02 A 65 VAL HA H 1 4.025 0.02 A 65 VAL HB H 1 1.896 0.02 A 65 VAL HG1% H 1 0.813 0.02 A 65 VAL HG2% H 1 0.615 0.02 A 65 VAL C C 13 175.747 0.2 A 65 VAL CA C 13 61.920 0.2 A 65 VAL CB C 13 32.502 0.2 A 65 VAL CG1 C 13 21.078 0.2 A 65 VAL CG2 C 13 20.320 0.2 A 65 VAL N N 15 126.750 0.2 A 66 LYS H H 1 8.311 0.02 A 66 LYS HA H 1 4.212 0.02 A 66 LYS HBx H 1 1.764 0.02 A 66 LYS HBy H 1 1.823 0.02 A 66 LYS HD2 H 1 1.664 0.02 A 66 LYS HD3 H 1 1.664 0.02 A 66 LYS HE2 H 1 2.975 0.02 A 66 LYS HE3 H 1 2.975 0.02 A 66 LYS HG2 H 1 1.406 0.02 A 66 LYS HG3 H 1 1.406 0.02 A 66 LYS C C 13 176.607 0.2 A 66 LYS CA C 13 56.776 0.2 A 66 LYS CB C 13 33.019 0.2 A 66 LYS CD C 13 28.933 0.2 A 66 LYS CE C 13 41.900 0.2 A 66 LYS CG C 13 24.700 0.2 A 66 LYS N N 15 124.150 0.2 A 67 GLY H H 1 8.401 0.02 A 67 GLY HA2 H 1 4.001 0.02 A 67 GLY HA3 H 1 4.001 0.02 A 67 GLY C C 13 173.716 0.2 A 67 GLY CA C 13 44.902 0.2 A 67 GLY N N 15 109.952 0.2 A 68 THR H H 1 8.032 0.02 A 68 THR HA H 1 4.399 0.02 A 68 THR HB H 1 4.267 0.02 A 68 THR HG2% H 1 1.159 0.02 A 68 THR C C 13 175.279 0.2 A 68 THR CA C 13 61.243 0.2 A 68 THR CB C 13 69.860 0.2 A 68 THR CG2 C 13 21.398 0.2 A 68 THR N N 15 111.619 0.2 A 69 GLY H H 1 8.581 0.02 A 69 GLY HAx H 1 3.945 0.02 A 69 GLY HAy H 1 3.998 0.02 A 69 GLY C C 13 174.572 0.2 A 69 GLY CA C 13 45.580 0.2 A 69 GLY N N 15 111.951 0.2 A 70 ALA HA H 1 4.302 0.02 A 70 ALA HB% H 1 1.411 0.02 A 70 ALA C C 13 177.774 0.2 A 70 ALA CA C 13 53.061 0.2 A 70 ALA CB C 13 18.921 0.2 A 71 ASN H H 1 8.151 0.02 A 71 ASN HA H 1 4.880 0.02 A 71 ASN HB2 H 1 2.912 0.02 A 71 ASN HB3 H 1 2.912 0.02 A 71 ASN HD2y H 1 7.652 0.02 A 71 ASN HD2x H 1 7.019 0.02 A 71 ASN C C 13 174.966 0.2 A 71 ASN CA C 13 52.744 0.2 A 71 ASN CB C 13 39.217 0.2 A 71 ASN N N 15 115.782 0.2 A 71 ASN ND2 N 15 114.080 0.2 A 72 GLY H H 1 8.051 0.02 A 72 GLY HAy H 1 3.929 0.02 A 72 GLY HAx H 1 3.713 0.02 A 72 GLY C C 13 172.700 0.2 A 72 GLY CA C 13 44.902 0.2 A 72 GLY N N 15 107.783 0.2 A 73 SER H H 1 7.761 0.02 A 73 SER HA H 1 4.484 0.02 A 73 SER HBy H 1 3.369 0.02 A 73 SER HBx H 1 3.302 0.02 A 73 SER C C 13 172.480 0.2 A 73 SER CA C 13 56.717 0.2 A 73 SER CB C 13 65.043 0.2 A 73 SER N N 15 114.063 0.2 A 74 PHE H H 1 8.489 0.02 A 74 PHE HA H 1 5.482 0.02 A 74 PHE HB2 H 1 2.749 0.02 A 74 PHE HB3 H 1 2.827 0.02 A 74 PHE HD1 H 1 7.052 0.02 A 74 PHE HD2 H 1 7.052 0.02 A 74 PHE HE1 H 1 7.162 0.02 A 74 PHE HE2 H 1 7.162 0.02 A 74 PHE HZ H 1 7.235 0.02 A 74 PHE C C 13 174.185 0.2 A 74 PHE CA C 13 57.461 0.2 A 74 PHE CB C 13 43.011 0.2 A 74 PHE CD1 C 13 131.613 0.2 A 74 PHE CD2 C 13 131.613 0.2 A 74 PHE CE1 C 13 131.010 0.2 A 74 PHE CE2 C 13 131.010 0.2 A 74 PHE CZ C 13 129.981 0.2 A 74 PHE N N 15 119.449 0.2 A 75 LYS H H 1 8.894 0.02 A 75 LYS HA H 1 4.959 0.02 A 75 LYS HBx H 1 1.642 0.02 A 75 LYS HBy H 1 1.713 0.02 A 75 LYS HD2 H 1 1.589 0.02 A 75 LYS HD3 H 1 1.589 0.02 A 75 LYS HEx H 1 2.865 0.02 A 75 LYS HEy H 1 2.928 0.02 A 75 LYS HGx H 1 1.236 0.02 A 75 LYS HGy H 1 1.339 0.02 A 75 LYS C C 13 175.669 0.2 A 75 LYS CA C 13 53.404 0.2 A 75 LYS CB C 13 37.239 0.2 A 75 LYS CD C 13 29.641 0.2 A 75 LYS CE C 13 41.968 0.2 A 75 LYS CG C 13 24.720 0.2 A 75 LYS N N 15 119.294 0.2 A 76 LEU H H 1 9.023 0.02 A 76 LEU HA H 1 4.372 0.02 A 76 LEU HB2 H 1 1.671 0.02 A 76 LEU HB3 H 1 1.461 0.02 A 76 LEU HD1% H 1 0.974 0.02 A 76 LEU HD2% H 1 0.933 0.02 A 76 LEU HG H 1 1.741 0.02 A 76 LEU C C 13 177.075 0.2 A 76 LEU CA C 13 55.778 0.2 A 76 LEU CB C 13 41.641 0.2 A 76 LEU CD1 C 13 24.818 0.2 A 76 LEU CD2 C 13 23.800 0.2 A 76 LEU CG C 13 27.500 0.2 A 76 LEU N N 15 121.201 0.2 A 77 ASN H H 1 8.333 0.02 A 77 ASN HA H 1 4.673 0.02 A 77 ASN HBy H 1 3.216 0.02 A 77 ASN HBx H 1 2.253 0.02 A 77 ASN HD2y H 1 7.983 0.02 A 77 ASN HD2x H 1 7.044 0.02 A 77 ASN C C 13 175.669 0.2 A 77 ASN CA C 13 51.802 0.2 A 77 ASN CB C 13 37.863 0.2 A 77 ASN N N 15 120.222 0.2 A 77 ASN ND2 N 15 111.808 0.2 A 78 ARG H H 1 8.373 0.02 A 78 ARG HA H 1 4.213 0.02 A 78 ARG HBx H 1 1.808 0.02 A 78 ARG HBy H 1 1.938 0.02 A 78 ARG HD2 H 1 3.234 0.02 A 78 ARG HD3 H 1 3.234 0.02 A 78 ARG HGx H 1 1.625 0.02 A 78 ARG HGy H 1 1.708 0.02 A 78 ARG C C 13 176.607 0.2 A 78 ARG CA C 13 57.376 0.2 A 78 ARG CB C 13 30.041 0.2 A 78 ARG CD C 13 43.024 0.2 A 78 ARG CG C 13 27.209 0.2 A 78 ARG N N 15 125.225 0.2 A 79 LYS H H 1 8.095 0.02 A 79 LYS HA H 1 4.205 0.02 A 79 LYS HB2 H 1 1.833 0.02 A 79 LYS HB3 H 1 1.833 0.02 A 79 LYS HD2 H 1 1.708 0.02 A 79 LYS HD3 H 1 1.708 0.02 A 79 LYS HE2 H 1 3.011 0.02 A 79 LYS HE3 H 1 3.011 0.02 A 79 LYS HGx H 1 1.432 0.02 A 79 LYS HGy H 1 1.482 0.02 A 79 LYS C C 13 177.075 0.2 A 79 LYS CA C 13 57.143 0.2 A 79 LYS CB C 13 32.341 0.2 A 79 LYS CD C 13 28.863 0.2 A 79 LYS CE C 13 41.919 0.2 A 79 LYS CG C 13 24.794 0.2 A 79 LYS N N 15 119.831 0.2 A 80 LYS H H 1 7.671 0.02 A 80 LYS HA H 1 4.304 0.02 A 80 LYS HBx H 1 1.792 0.02 A 80 LYS HBy H 1 1.903 0.02 A 80 LYS HD2 H 1 1.683 0.02 A 80 LYS HD3 H 1 1.683 0.02 A 80 LYS HE2 H 1 2.988 0.02 A 80 LYS HE3 H 1 2.988 0.02 A 80 LYS HGx H 1 1.376 0.02 A 80 LYS HGy H 1 1.464 0.02 A 80 LYS C C 13 176.607 0.2 A 80 LYS CA C 13 56.085 0.2 A 80 LYS CB C 13 33.017 0.2 A 80 LYS CD C 13 28.908 0.2 A 80 LYS CE C 13 41.985 0.2 A 80 LYS CG C 13 24.745 0.2 A 80 LYS N N 15 119.767 0.2 A 81 LEU H H 1 7.996 0.02 A 81 LEU HA H 1 4.357 0.02 A 81 LEU HBx H 1 1.636 0.02 A 81 LEU HBy H 1 1.676 0.02 A 81 LEU HD1% H 1 0.941 0.02 A 81 LEU HD2% H 1 0.895 0.02 A 81 LEU HG H 1 1.681 0.02 A 81 LEU C C 13 177.214 0.2 A 81 LEU CA C 13 55.371 0.2 A 81 LEU CB C 13 42.487 0.2 A 81 LEU CD1 C 13 25.366 0.2 A 81 LEU CD2 C 13 23.400 0.2 A 81 LEU CG C 13 26.940 0.2 A 81 LEU N N 15 121.868 0.2 A 82 GLU H H 1 8.262 0.02 A 82 GLU HA H 1 4.342 0.02 A 82 GLU HBx H 1 1.955 0.02 A 82 GLU HBy H 1 2.102 0.02 A 82 GLU HG2 H 1 2.267 0.02 A 82 GLU HG3 H 1 2.267 0.02 A 82 GLU C C 13 175.875 0.2 A 82 GLU CA C 13 56.331 0.2 A 82 GLU CB C 13 30.322 0.2 A 82 GLU CG C 13 36.142 0.2 A 82 GLU N N 15 120.499 0.2 A 83 GLY H H 1 7.880 0.02 A 83 GLY HAy H 1 3.792 0.02 A 83 GLY HAx H 1 3.741 0.02 A 83 GLY C C 13 178.944 0.2 A 83 GLY CA C 13 46.087 0.2 A 83 GLY N N 15 115.536 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 4 GLN H A 4 GLN HG2 1.0 0.0 4.79 2 1 A 4 GLN H A 4 GLN HG3 1.0 0.0 4.79 3 2 A 10 GLN H A 10 GLN HB2 1.0 0.0 3.28 4 2 A 10 GLN H A 10 GLN HB3 1.0 0.0 3.28 5 3 A 8 TYR H A 8 TYR HD% 1.0 0.0 4.06 6 4 A 8 TYR H A 8 TYR HB2 1.0 0.0 4.08 7 5 A 18 ARG H A 17 ARG HB2 1.0 0.0 3.03 8 5 A 17 ARG HB3 A 18 ARG H 1.0 0.0 3.03 9 6 A 8 TYR H A 7 LYS HB2 1.0 0.0 4.54 10 6 A 8 TYR H A 7 LYS HB3 1.0 0.0 4.54 11 7 A 8 TYR H A 7 LYS HG2 1.0 0.0 5.17 12 7 A 8 TYR H A 7 LYS HG3 1.0 0.0 5.17 13 8 A 10 GLN H A 9 SER H 1.0 0.0 4.12 14 9 A 8 TYR HB2 A 9 SER H 1.0 0.0 4.97 15 10 A 10 GLN H A 10 GLN HGy 1.0 0.0 4.73 16 11 A 11 LEU H A 12 VAL H 1.0 0.0 3.81 17 12 A 11 LEU H A 39 TRP HZ2 1.0 0.0 5.16 18 13 A 11 LEU H A 39 TRP HH2 1.0 0.0 4.88 19 14 A 11 LEU H A 11 LEU HB3 1.0 0.0 3.42 20 15 A 11 LEU H A 10 GLN HB2 1.0 0.0 3.62 21 15 A 10 GLN HB3 A 11 LEU H 1.0 0.0 3.62 22 16 A 11 LEU H A 11 LEU HB2 1.0 0.0 3.44 23 17 A 11 LEU H A 11 LEU HG 1.0 0.0 5.12 24 18 A 11 LEU H A 12 VAL HG2% 1.0 0.0 5.41 25 19 A 11 LEU H A 11 LEU HD1% 1.0 0.0 4.79 26 20 A 11 LEU H A 11 LEU HD2% 1.0 0.0 5.17 27 21 A 12 VAL H A 13 VAL H 1.0 0.0 3.83 28 22 A 12 VAL H A 8 TYR HA 1.0 0.0 5.24 29 23 A 12 VAL H A 10 GLN HA 1.0 0.0 5.15 30 24 A 12 VAL H A 12 VAL HB 1.0 0.0 3.37 31 25 A 12 VAL H A 11 LEU HB2 1.0 0.0 4.59 32 26 A 12 VAL H A 11 LEU HG 1.0 0.0 5.21 33 27 A 12 VAL H A 12 VAL HG2% 1.0 0.0 3.42 34 28 A 12 VAL H A 49 LEU HD2% 1.0 0.0 5.54 35 29 A 12 VAL H A 12 VAL HG1% 1.0 0.0 4.23 36 30 A 57 VAL HA A 62 LEU H 1.0 0.0 3.66 37 31 A 13 VAL H A 10 GLN HA 1.0 0.0 4.41 38 32 A 13 VAL H A 12 VAL HB 1.0 0.0 3.65 39 33 A 13 VAL H A 13 VAL HB 1.0 0.0 3.39 40 34 A 62 LEU H A 62 LEU HB2 1.0 0.0 3.55 41 34 A 62 LEU H A 62 LEU HB3 1.0 0.0 3.55 42 35 A 62 LEU H A 56 LEU HB3 1.0 0.0 4.37 43 36 A 13 VAL H A 13 VAL HG1% 1.0 0.0 4.27 44 37 A 13 VAL H A 12 VAL HG1% 1.0 0.0 3.91 45 38 A 14 GLU H A 15 THR H 1.0 0.0 3.74 46 39 A 13 VAL H A 14 GLU H 1.0 0.0 3.79 47 40 A 14 GLU H A 11 LEU HA 1.0 0.0 4.54 48 41 A 14 GLU H A 14 GLU HGx 1.0 0.0 4.45 49 42 A 13 VAL HB A 14 GLU H 1.0 0.0 3.20 50 43 A 15 THR H A 15 THR HG1 1.0 0.0 3.34 51 44 A 15 THR H A 15 THR HB 1.0 0.0 3.45 52 45 A 15 THR H A 14 GLU HBy 1.0 0.0 4.17 53 46 A 15 THR H A 15 THR HG2% 1.0 0.0 4.44 54 47 A 15 THR H A 13 VAL HG2% 1.0 0.0 5.60 55 48 A 11 LEU HD1% A 15 THR H 1.0 0.0 4.79 56 49 A 12 VAL HG1% A 15 THR H 1.0 0.0 5.11 57 50 A 15 THR HG1 A 16 ILE H 1.0 0.0 4.98 58 51 A 15 THR HB A 16 ILE H 1.0 0.0 3.78 59 52 A 16 ILE H A 16 ILE HG1y 1.0 0.0 4.12 60 53 A 16 ILE H A 16 ILE HB 1.0 0.0 3.33 61 54 A 15 THR HG2% A 16 ILE H 1.0 0.0 4.67 62 55 A 16 ILE H A 16 ILE HG2% 1.0 0.0 4.42 63 56 A 16 ILE H A 30 ILE HG2% 1.0 0.0 4.77 64 57 A 16 ILE H A 16 ILE HG1x 1.0 0.0 4.12 65 58 A 16 ILE H A 16 ILE HD1% 1.0 0.0 4.05 66 59 A 13 VAL HA A 17 ARG H 1.0 0.0 5.18 67 60 A 17 ARG H A 17 ARG HB2 1.0 0.0 3.07 68 60 A 17 ARG HB3 A 17 ARG H 1.0 0.0 3.07 69 61 A 17 ARG H A 76 LEU HG 1.0 0.0 5.69 70 62 A 17 ARG H A 17 ARG HGx 1.0 0.0 5.25 71 63 A 17 ARG H A 76 LEU HD1% 1.0 0.0 4.15 72 64 A 16 ILE HD1% A 17 ARG H 1.0 0.0 4.89 73 65 A 18 ARG H A 15 THR HA 1.0 0.0 4.42 74 66 A 51 TYR H A 51 TYR HB2 1.0 0.0 3.29 75 66 A 51 TYR H A 51 TYR HB3 1.0 0.0 3.29 76 67 A 16 ILE HA A 19 LEU H 1.0 0.0 4.73 77 68 A 19 LEU H A 19 LEU HG 1.0 0.0 3.30 78 69 A 19 LEU H A 18 ARG HGy 1.0 0.0 5.35 79 70 A 19 LEU H A 19 LEU HB3 1.0 0.0 4.12 80 71 A 19 LEU H A 19 LEU HD1% 1.0 0.0 4.26 81 72 A 19 LEU H A 19 LEU HD2% 1.0 0.0 4.56 82 73 A 19 LEU H A 20 GLY H 1.0 0.0 3.74 83 74 A 16 ILE HA A 20 GLY H 1.0 0.0 5.57 84 75 A 20 GLY H A 19 LEU HB2 1.0 0.0 3.99 85 76 A 19 LEU HB3 A 20 GLY H 1.0 0.0 4.79 86 77 A 19 LEU HD1% A 20 GLY H 1.0 0.0 5.25 87 78 A 19 LEU HD2% A 20 GLY H 1.0 0.0 5.75 88 79 A 20 GLY H A 21 GLU H 1.0 0.0 4.28 89 80 A 21 GLU H A 21 GLU HBy 1.0 0.0 4.13 90 81 A 21 GLU H A 21 GLU HGy 1.0 0.0 4.44 91 82 A 21 GLU H A 21 GLU HBx 1.0 0.0 4.13 92 83 A 19 LEU HB3 A 21 GLU H 1.0 0.0 4.73 93 84 A 19 LEU HD2% A 21 GLU H 1.0 0.0 5.28 94 85 A 23 ASN H A 24 GLY H 1.0 0.0 4.55 95 86 A 24 GLY H A 21 GLU HBy 1.0 0.0 4.86 96 87 A 24 GLY H A 21 GLU HBx 1.0 0.0 4.86 97 88 A 25 SER H A 74 PHE H 1.0 0.0 3.80 98 89 A 25 SER H A 24 GLY HA2 1.0 0.0 3.54 99 90 A 25 SER H A 24 GLY HA3 1.0 0.0 3.74 100 91 A 25 SER H A 30 ILE HD1% 1.0 0.0 4.54 101 92 A 25 SER HA A 26 SER H 1.0 0.0 3.23 102 93 A 26 SER H A 26 SER HBx 1.0 0.0 4.38 103 94 A 26 SER H A 25 SER HBx 1.0 0.0 4.82 104 95 A 26 SER H A 29 LYS HB2 1.0 0.0 3.85 105 95 A 26 SER H A 29 LYS HB3 1.0 0.0 3.85 106 96 A 27 LEU H A 74 PHE HE% 1.0 0.0 4.59 107 97 A 27 LEU H A 26 SER HA 1.0 0.0 3.49 108 98 A 27 LEU H A 26 SER HBy 1.0 0.0 4.41 109 99 A 27 LEU H A 27 LEU HBy 1.0 0.0 3.62 110 100 A 27 LEU H A 27 LEU HBx 1.0 0.0 3.62 111 101 A 27 LEU H A 27 LEU HD1% 1.0 0.0 4.91 112 102 A 27 LEU H A 27 LEU HD2% 1.0 0.0 5.34 113 103 A 28 ALA H A 29 LYS H 1.0 0.0 3.56 114 104 A 29 LYS H A 30 ILE H 1.0 0.0 3.95 115 105 A 74 PHE H A 74 PHE HD% 1.0 0.0 3.86 116 106 A 26 SER HA A 28 ALA H 1.0 0.0 5.20 117 107 A 74 PHE H A 26 SER HA 1.0 0.0 5.50 118 108 A 74 PHE H A 73 SER HA 1.0 0.0 3.36 119 109 A 74 PHE H A 73 SER HBx 1.0 0.0 4.34 120 110 A 74 PHE H A 74 PHE HB2 1.0 0.0 3.98 121 111 A 30 ILE H A 29 LYS HB2 1.0 0.0 3.02 122 111 A 29 LYS HB3 A 30 ILE H 1.0 0.0 3.02 123 112 A 30 ILE H A 30 ILE HB 1.0 0.0 3.34 124 113 A 28 ALA H A 27 LEU HBx 1.0 0.0 4.68 125 114 A 28 ALA H A 27 LEU HG 1.0 0.0 4.97 126 115 A 28 ALA H A 28 ALA HB% 1.0 0.0 3.16 127 116 A 30 ILE HG2% A 30 ILE H 1.0 0.0 4.13 128 117 A 30 ILE HD1% A 30 ILE H 1.0 0.0 4.32 129 118 A 74 PHE H A 30 ILE HD1% 1.0 0.0 4.38 130 119 A 29 LYS H A 29 LYS HB2 1.0 0.0 3.11 131 119 A 29 LYS HB3 A 29 LYS H 1.0 0.0 3.11 132 120 A 29 LYS H A 28 ALA HB% 1.0 0.0 3.43 133 121 A 30 ILE H A 31 TYR H 1.0 0.0 3.75 134 122 A 31 TYR H A 28 ALA HA 1.0 0.0 4.34 135 123 A 31 TYR H A 31 TYR HB3 1.0 0.0 3.44 136 124 A 31 TYR H A 31 TYR HB2 1.0 0.0 3.54 137 125 A 30 ILE HB A 31 TYR H 1.0 0.0 3.65 138 126 A 31 TYR H A 49 LEU HD1% 1.0 0.0 4.77 139 127 A 30 ILE HG2% A 31 TYR H 1.0 0.0 4.14 140 128 A 30 ILE HD1% A 31 TYR H 1.0 0.0 5.46 141 129 A 31 TYR H A 32 THR H 1.0 0.0 3.92 142 130 A 32 THR H A 33 GLU H 1.0 0.0 3.81 143 131 A 32 THR H A 31 TYR HD% 1.0 0.0 4.44 144 132 A 60 ASP H A 60 ASP HA 1.0 0.0 2.97 145 133 A 32 THR H A 32 THR HB 1.0 0.0 3.40 146 134 A 32 THR H A 29 LYS HA 1.0 0.0 4.13 147 135 A 31 TYR HB2 A 32 THR H 1.0 0.0 4.47 148 136 A 32 THR H A 33 GLU HB2 1.0 0.0 5.35 149 136 A 32 THR H A 33 GLU HB3 1.0 0.0 5.35 150 137 A 32 THR H A 32 THR HG2% 1.0 0.0 3.96 151 138 A 33 GLU H A 34 ALA H 1.0 0.0 3.52 152 139 A 33 GLU H A 32 THR HB 1.0 0.0 3.86 153 140 A 33 GLU H A 30 ILE HA 1.0 0.0 4.76 154 141 A 33 GLU H A 33 GLU HG2 1.0 0.0 3.85 155 142 A 33 GLU H A 33 GLU HG3 1.0 0.0 4.50 156 143 A 33 GLU H A 33 GLU HB2 1.0 0.0 3.30 157 143 A 33 GLU H A 33 GLU HB3 1.0 0.0 3.30 158 144 A 33 GLU H A 32 THR HG2% 1.0 0.0 4.35 159 145 A 33 GLU H A 34 ALA HB% 1.0 0.0 5.18 160 146 A 19 LEU HD1% A 33 GLU H 1.0 0.0 5.09 161 147 A 34 ALA H A 33 GLU HB2 1.0 0.0 3.71 162 147 A 33 GLU HB3 A 34 ALA H 1.0 0.0 3.71 163 148 A 15 THR HG2% A 34 ALA H 1.0 0.0 4.40 164 149 A 34 ALA H A 34 ALA HB% 1.0 0.0 3.28 165 150 A 34 ALA H A 35 LYS H 1.0 0.0 3.70 166 151 A 35 LYS H A 36 LYS H 1.0 0.0 3.80 167 152 A 35 LYS H A 31 TYR HA 1.0 0.0 5.22 168 153 A 35 LYS H A 32 THR HA 1.0 0.0 5.16 169 154 A 35 LYS H A 35 LYS HB3 1.0 0.0 3.92 170 155 A 35 LYS H A 35 LYS HG2 1.0 0.0 3.56 171 156 A 34 ALA HB% A 35 LYS H 1.0 0.0 3.68 172 157 A 35 LYS H A 35 LYS HB2 1.0 0.0 4.24 173 158 A 35 LYS H A 35 LYS HG3 1.0 0.0 4.51 174 159 A 36 LYS H A 34 ALA HA 1.0 0.0 4.95 175 160 A 36 LYS H A 36 LYS HB3 1.0 0.0 4.11 176 161 A 36 LYS H A 36 LYS HB2 1.0 0.0 3.42 177 162 A 36 LYS H A 36 LYS HG3 1.0 0.0 3.48 178 163 A 36 LYS H A 36 LYS HG2 1.0 0.0 4.07 179 164 A 36 LYS H A 35 LYS HB2 1.0 0.0 5.13 180 165 A 36 LYS H A 37 VAL H 1.0 0.0 3.52 181 166 A 34 ALA HA A 37 VAL H 1.0 0.0 5.10 182 167 A 37 VAL H A 35 LYS HA 1.0 0.0 4.65 183 168 A 37 VAL H A 37 VAL HB 1.0 0.0 3.63 184 169 A 36 LYS HB2 A 37 VAL H 1.0 0.0 4.70 185 170 A 11 LEU HD2% A 37 VAL H 1.0 0.0 5.42 186 171 A 37 VAL H A 37 VAL HG2% 1.0 0.0 3.42 187 172 A 37 VAL H A 37 VAL HG1% 1.0 0.0 3.86 188 173 A 38 PRO HD2 A 39 TRP H 1.0 0.0 4.08 189 174 A 39 TRP H A 38 PRO HG2 1.0 0.0 4.11 190 174 A 39 TRP H A 38 PRO HG3 1.0 0.0 4.11 191 175 A 37 VAL HB A 39 TRP H 1.0 0.0 4.80 192 176 A 37 VAL HG1% A 39 TRP H 1.0 0.0 3.64 193 177 A 37 VAL HB A 39 TRP HE1 1.0 0.0 4.96 194 178 A 37 VAL HG2% A 39 TRP HE1 1.0 0.0 5.19 195 179 A 37 VAL HG1% A 39 TRP HE1 1.0 0.0 4.19 196 180 A 40 PHE H A 40 PHE HD% 1.0 0.0 4.68 197 181 A 39 TRP H A 40 PHE H 1.0 0.0 3.70 198 182 A 40 PHE H A 40 PHE HB3 1.0 0.0 3.50 199 183 A 40 PHE H A 40 PHE HB2 1.0 0.0 3.43 200 184 A 37 VAL HB A 40 PHE H 1.0 0.0 4.99 201 185 A 37 VAL HG2% A 40 PHE H 1.0 0.0 3.92 202 186 A 37 VAL HG1% A 40 PHE H 1.0 0.0 4.14 203 187 A 40 PHE HA A 41 ASP H 1.0 0.0 3.48 204 188 A 41 ASP H A 41 ASP HB2 1.0 0.0 4.18 205 189 A 41 ASP H A 41 ASP HB3 1.0 0.0 3.89 206 190 A 60 ASP H A 59 ASN H 1.0 0.0 3.46 207 191 A 35 LYS HB3 A 42 GLN HE21 1.0 0.0 5.32 208 192 A 42 GLN H A 44 ASN H 1.0 0.0 5.37 209 193 A 42 GLN H A 41 ASP HA 1.0 0.0 3.39 210 194 A 42 GLN H A 42 GLN HG2 1.0 0.0 3.74 211 195 A 42 GLN H A 42 GLN HB3 1.0 0.0 4.33 212 196 A 42 GLN H A 42 GLN HB2 1.0 0.0 3.71 213 197 A 40 PHE HD% A 42 GLN HE22 1.0 0.0 4.14 214 198 A 35 LYS HB3 A 42 GLN HE22 1.0 0.0 4.60 215 199 A 35 LYS HB2 A 42 GLN HE22 1.0 0.0 5.08 216 200 A 42 GLN H A 43 GLN H 1.0 0.0 4.00 217 201 A 44 ASN H A 43 GLN H 1.0 0.0 3.62 218 202 A 41 ASP HA A 43 GLN H 1.0 0.0 5.01 219 203 A 41 ASP HB2 A 43 GLN H 1.0 0.0 5.62 220 204 A 42 GLN HG2 A 43 GLN H 1.0 0.0 5.44 221 205 A 43 GLN H A 43 GLN HG2 1.0 0.0 4.06 222 205 A 43 GLN H A 43 GLN HG3 1.0 0.0 4.06 223 206 A 42 GLN HB2 A 43 GLN H 1.0 0.0 4.35 224 207 A 41 ASP HB3 A 44 ASN H 1.0 0.0 5.44 225 208 A 44 ASN H A 43 GLN HG2 1.0 0.0 4.95 226 208 A 44 ASN H A 43 GLN HG3 1.0 0.0 4.95 227 209 A 44 ASN H A 43 GLN HBx 1.0 0.0 4.38 228 210 A 41 ASP HB3 A 45 GLY H 1.0 0.0 4.62 229 211 A 45 GLY H A 44 ASN HBx 1.0 0.0 5.52 230 212 A 45 GLY H A 46 ARG H 1.0 0.0 4.81 231 213 A 31 TYR HD% A 46 ARG H 1.0 0.0 5.65 232 214 A 46 ARG H A 40 PHE HZ 1.0 0.0 5.78 233 215 A 46 ARG H A 46 ARG HB3 1.0 0.0 4.06 234 216 A 46 ARG H A 46 ARG HB2 1.0 0.0 3.93 235 217 A 46 ARG H A 46 ARG HGy 1.0 0.0 5.52 236 218 A 46 ARG H A 46 ARG HGx 1.0 0.0 5.52 237 219 A 46 ARG H A 47 THR H 1.0 0.0 4.29 238 220 A 47 THR H A 47 THR HB 1.0 0.0 3.35 239 221 A 47 THR H A 44 ASN HBx 1.0 0.0 5.78 240 222 A 47 THR H A 50 LYS HB2 1.0 0.0 5.78 241 222 A 47 THR H A 50 LYS HB3 1.0 0.0 5.78 242 223 A 46 ARG HB3 A 47 THR H 1.0 0.0 3.84 243 224 A 46 ARG HB2 A 47 THR H 1.0 0.0 4.61 244 225 A 47 THR H A 46 ARG HGy 1.0 0.0 5.34 245 226 A 47 THR H A 46 ARG HGx 1.0 0.0 5.34 246 227 A 48 TYR H A 49 LEU H 1.0 0.0 3.81 247 228 A 48 TYR H A 48 TYR HD% 1.0 0.0 4.39 248 229 A 47 THR HB A 48 TYR H 1.0 0.0 3.69 249 230 A 48 TYR H A 45 GLY HA2 1.0 0.0 4.71 250 231 A 48 TYR H A 48 TYR HB2 1.0 0.0 3.59 251 231 A 48 TYR H A 48 TYR HB3 1.0 0.0 3.59 252 232 A 48 TYR H A 47 THR HG2% 1.0 0.0 4.42 253 233 A 49 LEU H A 50 LYS H 1.0 0.0 3.82 254 234 A 49 LEU H A 46 ARG HA 1.0 0.0 4.57 255 235 A 49 LEU H A 48 TYR HB2 1.0 0.0 3.72 256 235 A 49 LEU H A 48 TYR HB3 1.0 0.0 3.72 257 236 A 49 LEU H A 49 LEU HB2 1.0 0.0 3.86 258 237 A 49 LEU H A 49 LEU HB3 1.0 0.0 4.18 259 238 A 49 LEU HD1% A 49 LEU H 1.0 0.0 4.89 260 239 A 50 LYS H A 49 LEU HB2 1.0 0.0 3.81 261 240 A 50 LYS H A 50 LYS HB2 1.0 0.0 3.21 262 240 A 50 LYS HB3 A 50 LYS H 1.0 0.0 3.21 263 241 A 50 LYS H A 49 LEU HB3 1.0 0.0 4.23 264 242 A 27 LEU HD1% A 50 LYS H 1.0 0.0 4.73 265 243 A 51 TYR H A 50 LYS H 1.0 0.0 3.68 266 244 A 52 SER H A 52 SER HBy 1.0 0.0 4.20 267 245 A 52 SER H A 52 SER HBx 1.0 0.0 4.20 268 246 A 52 SER H A 51 TYR HB2 1.0 0.0 3.74 269 246 A 51 TYR HB3 A 52 SER H 1.0 0.0 3.74 270 247 A 52 SER H A 53 ILE H 1.0 0.0 3.81 271 248 A 53 ILE H A 52 SER HBy 1.0 0.0 4.32 272 249 A 53 ILE H A 52 SER HBx 1.0 0.0 4.32 273 250 A 53 ILE H A 54 LYS HB2 1.0 0.0 5.60 274 250 A 53 ILE H A 54 LYS HB3 1.0 0.0 5.60 275 251 A 53 ILE H A 53 ILE HB 1.0 0.0 3.37 276 252 A 12 VAL HG2% A 53 ILE H 1.0 0.0 4.83 277 253 A 12 VAL HG1% A 53 ILE H 1.0 0.0 5.41 278 254 A 53 ILE H A 56 LEU HD1% 1.0 0.0 5.71 279 255 A 53 ILE H A 53 ILE HG12 1.0 0.0 4.30 280 256 A 53 ILE H A 53 ILE HG2% 1.0 0.0 4.53 281 257 A 53 ILE H A 54 LYS H 1.0 0.0 3.89 282 258 A 52 SER H A 54 LYS H 1.0 0.0 5.64 283 259 A 54 LYS H A 56 LEU H 1.0 0.0 5.46 284 260 A 54 LYS H A 51 TYR HA 1.0 0.0 4.55 285 261 A 54 LYS H A 54 LYS HB2 1.0 0.0 3.20 286 261 A 54 LYS HB3 A 54 LYS H 1.0 0.0 3.20 287 262 A 53 ILE HB A 54 LYS H 1.0 0.0 3.64 288 263 A 54 LYS H A 54 LYS HGx 1.0 0.0 5.04 289 264 A 53 ILE HG2% A 54 LYS H 1.0 0.0 4.27 290 265 A 53 ILE H A 55 ALA H 1.0 0.0 5.27 291 266 A 56 LEU H A 55 ALA H 1.0 0.0 3.71 292 267 A 55 ALA H A 52 SER HA 1.0 0.0 4.59 293 268 A 55 ALA H A 54 LYS HB2 1.0 0.0 3.51 294 268 A 54 LYS HB3 A 55 ALA H 1.0 0.0 3.51 295 269 A 55 ALA H A 55 ALA HB% 1.0 0.0 3.12 296 270 A 56 LEU H A 53 ILE HA 1.0 0.0 4.59 297 271 A 56 LEU H A 57 VAL HB 1.0 0.0 5.78 298 272 A 56 LEU H A 56 LEU HB2 1.0 0.0 3.35 299 273 A 56 LEU H A 55 ALA HB% 1.0 0.0 3.72 300 274 A 56 LEU HB3 A 56 LEU H 1.0 0.0 4.38 301 275 A 56 LEU H A 57 VAL H 1.0 0.0 3.66 302 276 A 57 VAL H A 58 GLN H 1.0 0.0 3.43 303 277 A 55 ALA H A 57 VAL H 1.0 0.0 5.34 304 278 A 62 LEU H A 57 VAL H 1.0 0.0 5.78 305 279 A 57 VAL H A 55 ALA HA 1.0 0.0 5.40 306 280 A 57 VAL H A 54 LYS HA 1.0 0.0 4.50 307 281 A 53 ILE HA A 57 VAL H 1.0 0.0 5.18 308 282 A 57 VAL HB A 57 VAL H 1.0 0.0 3.26 309 283 A 56 LEU HB2 A 57 VAL H 1.0 0.0 4.19 310 284 A 57 VAL H A 62 LEU HB2 1.0 0.0 5.28 311 284 A 62 LEU HB3 A 57 VAL H 1.0 0.0 5.28 312 285 A 56 LEU HB3 A 57 VAL H 1.0 0.0 5.05 313 286 A 57 VAL H A 57 VAL HG2% 1.0 0.0 3.35 314 287 A 57 VAL H A 62 LEU HD1% 1.0 0.0 5.10 315 288 A 53 ILE HG2% A 57 VAL H 1.0 0.0 5.09 316 289 A 59 ASN H A 58 GLN H 1.0 0.0 3.71 317 290 A 58 GLN H A 54 LYS HA 1.0 0.0 5.10 318 291 A 58 GLN H A 58 GLN HGy 1.0 0.0 4.53 319 292 A 58 GLN H A 58 GLN HGx 1.0 0.0 4.53 320 293 A 57 VAL HB A 58 GLN H 1.0 0.0 3.36 321 294 A 58 GLN H A 58 GLN HBy 1.0 0.0 3.75 322 295 A 55 ALA HB% A 58 GLN H 1.0 0.0 5.19 323 296 A 58 GLN H A 57 VAL HG1% 1.0 0.0 4.29 324 297 A 58 GLN H A 57 VAL HG2% 1.0 0.0 4.71 325 298 A 56 LEU HD2% A 59 ASN HD21 1.0 0.0 4.92 326 299 A 59 ASN H A 56 LEU HA 1.0 0.0 4.15 327 300 A 59 ASN H A 59 ASN HBy 1.0 0.0 4.11 328 301 A 59 ASN H A 59 ASN HBx 1.0 0.0 4.11 329 302 A 59 ASN H A 58 GLN HBx 1.0 0.0 4.17 330 303 A 60 ASP H A 58 GLN HA 1.0 0.0 4.70 331 304 A 60 ASP H A 57 VAL HG1% 1.0 0.0 5.26 332 305 A 60 ASP H A 61 THR H 1.0 0.0 3.82 333 306 A 62 LEU H A 61 THR H 1.0 0.0 3.34 334 307 A 61 THR H A 61 THR HB 1.0 0.0 3.44 335 308 A 61 THR H A 60 ASP HBx 1.0 0.0 5.48 336 309 A 61 THR H A 62 LEU HB2 1.0 0.0 5.13 337 309 A 62 LEU HB3 A 61 THR H 1.0 0.0 5.13 338 310 A 61 THR H A 61 THR HG2% 1.0 0.0 4.24 339 311 A 56 LEU HD2% A 61 THR H 1.0 0.0 4.62 340 312 A 62 LEU H A 62 LEU HG 1.0 0.0 4.12 341 313 A 63 LEU H A 77 ASN H 1.0 0.0 5.06 342 314 A 63 LEU H A 74 PHE HA 1.0 0.0 5.43 343 315 A 63 LEU H A 62 LEU HA 1.0 0.0 3.18 344 316 A 63 LEU H A 76 LEU HA 1.0 0.0 4.66 345 317 A 63 LEU H A 62 LEU HB2 1.0 0.0 3.53 346 317 A 62 LEU HB3 A 63 LEU H 1.0 0.0 3.53 347 318 A 63 LEU H A 63 LEU HB2 1.0 0.0 3.72 348 318 A 63 LEU H A 63 LEU HB3 1.0 0.0 3.72 349 319 A 57 VAL HG2% A 63 LEU H 1.0 0.0 5.74 350 320 A 63 LEU H A 63 LEU HD1% 1.0 0.0 4.78 351 321 A 63 LEU H A 63 LEU HD2% 1.0 0.0 5.18 352 322 A 63 LEU H A 62 LEU HD2% 1.0 0.0 4.33 353 323 A 63 LEU HA A 64 GLN H 1.0 0.0 3.11 354 324 A 64 GLN H A 64 GLN HBy 1.0 0.0 3.84 355 325 A 64 GLN H A 64 GLN HBx 1.0 0.0 3.84 356 326 A 64 GLN H A 63 LEU HB2 1.0 0.0 3.96 357 326 A 63 LEU HB3 A 64 GLN H 1.0 0.0 3.96 358 327 A 57 VAL HG1% A 64 GLN H 1.0 0.0 4.30 359 328 A 63 LEU HD2% A 64 GLN H 1.0 0.0 4.35 360 329 A 74 PHE HA A 65 VAL H 1.0 0.0 4.44 361 330 A 65 VAL H A 64 GLN HA 1.0 0.0 3.17 362 331 A 65 VAL H A 65 VAL HB 1.0 0.0 3.58 363 332 A 66 LYS H A 73 SER H 1.0 0.0 5.10 364 333 A 66 LYS H A 65 VAL HA 1.0 0.0 3.46 365 334 A 66 LYS H A 66 LYS HG2 1.0 0.0 4.65 366 334 A 66 LYS H A 66 LYS HG3 1.0 0.0 4.65 367 335 A 66 LYS H A 65 VAL HG1% 1.0 0.0 4.46 368 336 A 66 LYS H A 65 VAL HG2% 1.0 0.0 5.27 369 337 A 68 THR H A 68 THR HG2% 1.0 0.0 4.90 370 338 A 72 GLY H A 71 ASN HB2 1.0 0.0 5.04 371 338 A 71 ASN HB3 A 72 GLY H 1.0 0.0 5.04 372 339 A 65 VAL H A 73 SER H 1.0 0.0 4.36 373 340 A 73 SER H A 72 GLY H 1.0 0.0 5.47 374 341 A 73 SER H A 66 LYS HA 1.0 0.0 5.34 375 342 A 73 SER H A 72 GLY HAy 1.0 0.0 3.57 376 343 A 73 SER H A 72 GLY HAx 1.0 0.0 3.57 377 344 A 65 VAL HB A 73 SER H 1.0 0.0 4.29 378 345 A 73 SER H A 65 VAL HG2% 1.0 0.0 5.06 379 346 A 74 PHE H A 24 GLY HA3 1.0 0.0 5.09 380 347 A 74 PHE HD% A 75 LYS H 1.0 0.0 5.21 381 348 A 74 PHE HA A 75 LYS H 1.0 0.0 3.13 382 349 A 64 GLN HA A 75 LYS H 1.0 0.0 4.98 383 350 A 75 LYS H A 74 PHE HB3 1.0 0.0 4.26 384 351 A 75 LYS H A 62 LEU HB2 1.0 0.0 4.48 385 351 A 62 LEU HB3 A 75 LYS H 1.0 0.0 4.48 386 352 A 75 LYS H A 63 LEU HB2 1.0 0.0 4.80 387 352 A 63 LEU HB3 A 75 LYS H 1.0 0.0 4.80 388 353 A 16 ILE HG2% A 75 LYS H 1.0 0.0 5.31 389 354 A 16 ILE HD1% A 75 LYS H 1.0 0.0 5.10 390 355 A 62 LEU HD2% A 75 LYS H 1.0 0.0 5.35 391 356 A 65 VAL HG2% A 75 LYS H 1.0 0.0 4.59 392 357 A 75 LYS HA A 76 LEU H 1.0 0.0 3.24 393 358 A 76 LEU H A 76 LEU HB2 1.0 0.0 3.80 394 359 A 76 LEU H A 76 LEU HB3 1.0 0.0 4.08 395 360 A 16 ILE HG2% A 76 LEU H 1.0 0.0 3.91 396 361 A 62 LEU HD2% A 76 LEU H 1.0 0.0 4.62 397 362 A 77 ASN HD2y A 60 ASP HBy 1.0 0.0 4.87 398 363 A 77 ASN HD2y A 63 LEU HB2 1.0 0.0 5.78 399 363 A 63 LEU HB3 A 77 ASN HD2y 1.0 0.0 5.78 400 364 A 77 ASN H A 62 LEU HA 1.0 0.0 3.84 401 365 A 77 ASN H A 76 LEU HA 1.0 0.0 3.07 402 366 A 77 ASN H A 61 THR HA 1.0 0.0 5.54 403 367 A 77 ASN H A 77 ASN HBy 1.0 0.0 3.65 404 368 A 77 ASN H A 77 ASN HBx 1.0 0.0 3.65 405 369 A 77 ASN H A 76 LEU HB2 1.0 0.0 4.74 406 370 A 77 ASN H A 76 LEU HB3 1.0 0.0 4.04 407 371 A 61 THR HG2% A 77 ASN H 1.0 0.0 5.32 408 372 A 77 ASN H A 62 LEU HD2% 1.0 0.0 4.38 409 373 A 77 ASN HD2x A 60 ASP HBy 1.0 0.0 4.87 410 374 A 77 ASN HD2x A 63 LEU HB2 1.0 0.0 5.78 411 374 A 63 LEU HB3 A 77 ASN HD2x 1.0 0.0 5.78 412 375 A 63 LEU HD2% A 77 ASN HD2x 1.0 0.0 4.62 413 376 A 79 LYS H A 80 LYS H 1.0 0.0 4.59 414 377 A 79 LYS H A 79 LYS HB2 1.0 0.0 3.57 415 377 A 79 LYS H A 79 LYS HB3 1.0 0.0 3.57 416 378 A 79 LYS H A 79 LYS HGx 1.0 0.0 5.50 417 379 A 79 LYS H A 79 LYS HGy 1.0 0.0 5.50 418 380 A 80 LYS H A 81 LEU H 1.0 0.0 4.05 419 381 A 80 LYS H A 80 LYS HBx 1.0 0.0 3.84 420 382 A 81 LEU H A 79 LYS HGx 1.0 0.0 5.78 421 383 A 81 LEU H A 79 LYS HGy 1.0 0.0 5.78 422 384 A 81 LEU H A 81 LEU HD1% 1.0 0.0 5.11 423 385 A 81 LEU H A 81 LEU HD2% 1.0 0.0 5.78 424 386 A 79 LYS HA A 82 GLU H 1.0 0.0 5.76 425 387 A 82 GLU H A 82 GLU HG2 1.0 0.0 4.49 426 387 A 82 GLU H A 82 GLU HG3 1.0 0.0 4.49 427 388 A 7 LYS H A 7 LYS HG2 1.0 0.0 5.78 428 388 A 7 LYS HG3 A 7 LYS H 1.0 0.0 5.78 429 389 A 9 SER H A 7 LYS HB2 1.0 0.0 5.64 430 389 A 7 LYS HB3 A 9 SER H 1.0 0.0 5.64 431 390 A 9 SER H A 8 TYR HB3 1.0 0.0 5.61 432 391 A 10 GLN H A 56 LEU HD1% 1.0 0.0 5.78 433 392 A 10 GLN H A 7 LYS HG2 1.0 0.0 5.78 434 392 A 10 GLN H A 7 LYS HG3 1.0 0.0 5.78 435 393 A 10 GLN H A 13 VAL HG2% 1.0 0.0 5.78 436 394 A 10 GLN H A 10 GLN HGx 1.0 0.0 4.73 437 395 A 11 LEU H A 8 TYR HA 1.0 0.0 4.18 438 396 A 12 VAL H A 11 LEU HB3 1.0 0.0 3.94 439 397 A 62 LEU H A 62 LEU HD1% 1.0 0.0 4.80 440 398 A 14 GLU H A 13 VAL HG2% 1.0 0.0 4.40 441 399 A 14 GLU H A 14 GLU HBx 1.0 0.0 4.06 442 400 A 13 VAL H A 15 THR H 1.0 0.0 5.27 443 401 A 16 ILE H A 13 VAL HA 1.0 0.0 4.67 444 402 A 16 ILE HG2% A 17 ARG H 1.0 0.0 4.37 445 403 A 17 ARG H A 14 GLU HA 1.0 0.0 4.82 446 404 A 18 ARG H A 17 ARG H 1.0 0.0 3.68 447 405 A 16 ILE H A 17 ARG H 1.0 0.0 3.57 448 406 A 18 ARG H A 19 LEU HD2% 1.0 0.0 5.78 449 407 A 18 ARG H A 15 THR HG2% 1.0 0.0 5.78 450 408 A 18 ARG H A 20 GLY H 1.0 0.0 4.99 451 409 A 15 THR HG2% A 19 LEU H 1.0 0.0 5.22 452 410 A 19 LEU H A 18 ARG HGx 1.0 0.0 5.35 453 411 A 19 LEU H A 19 LEU HB2 1.0 0.0 3.96 454 412 A 15 THR HA A 19 LEU H 1.0 0.0 4.92 455 413 A 16 ILE HG2% A 20 GLY H 1.0 0.0 5.68 456 414 A 20 GLY H A 17 ARG HA 1.0 0.0 4.49 457 415 A 16 ILE HG2% A 21 GLU H 1.0 0.0 5.67 458 416 A 21 GLU H A 21 GLU HGx 1.0 0.0 4.44 459 417 A 21 GLU H A 19 LEU HA 1.0 0.0 5.16 460 418 A 19 LEU HD1% A 26 SER H 1.0 0.0 5.78 461 419 A 30 ILE HD1% A 26 SER H 1.0 0.0 5.78 462 420 A 26 SER H A 29 LYS HGx 1.0 0.0 5.78 463 421 A 26 SER H A 29 LYS HGy 1.0 0.0 5.78 464 422 A 26 SER H A 25 SER HBy 1.0 0.0 4.82 465 423 A 30 ILE HD1% A 27 LEU H 1.0 0.0 5.42 466 424 A 27 LEU H A 74 PHE HD% 1.0 0.0 5.24 467 425 A 30 ILE H A 30 ILE HG1x 1.0 0.0 4.27 468 426 A 27 LEU H A 28 ALA H 1.0 0.0 4.16 469 427 A 74 PHE H A 73 SER HBy 1.0 0.0 4.34 470 428 A 19 LEU HD1% A 29 LYS H 1.0 0.0 5.78 471 429 A 30 ILE HD1% A 29 LYS H 1.0 0.0 5.78 472 430 A 26 SER H A 29 LYS H 1.0 0.0 5.23 473 431 A 29 LYS H A 31 TYR H 1.0 0.0 5.50 474 432 A 32 THR H A 34 ALA HB% 1.0 0.0 5.78 475 433 A 28 ALA HB% A 32 THR H 1.0 0.0 5.78 476 434 A 32 THR H A 29 LYS HB2 1.0 0.0 5.78 477 434 A 29 LYS HB3 A 32 THR H 1.0 0.0 5.78 478 435 A 30 ILE HB A 32 THR H 1.0 0.0 5.78 479 436 A 31 TYR HB3 A 32 THR H 1.0 0.0 3.86 480 437 A 32 THR H A 34 ALA H 1.0 0.0 5.44 481 438 A 34 ALA H A 33 GLU HG2 1.0 0.0 5.46 482 439 A 35 LYS H A 33 GLU HA 1.0 0.0 5.42 483 440 A 36 LYS H A 37 VAL HG1% 1.0 0.0 5.67 484 441 A 34 ALA HB% A 36 LYS H 1.0 0.0 5.64 485 442 A 36 LYS HB3 A 37 VAL H 1.0 0.0 5.12 486 443 A 37 VAL H A 40 PHE HB2 1.0 0.0 5.35 487 444 A 37 VAL HG2% A 39 TRP H 1.0 0.0 4.47 488 445 A 44 ASN H A 43 GLN HBy 1.0 0.0 4.38 489 446 A 45 GLY H A 44 ASN HBy 1.0 0.0 5.52 490 447 A 45 GLY H A 43 GLN HG2 1.0 0.0 5.78 491 447 A 43 GLN HG3 A 45 GLY H 1.0 0.0 5.78 492 448 A 45 GLY H A 48 TYR HB2 1.0 0.0 5.78 493 448 A 45 GLY H A 48 TYR HB3 1.0 0.0 5.78 494 449 A 43 GLN H A 45 GLY H 1.0 0.0 4.89 495 450 A 46 ARG H A 40 PHE HE% 1.0 0.0 5.78 496 451 A 47 THR H A 44 ASN HBy 1.0 0.0 5.78 497 452 A 45 GLY H A 47 THR H 1.0 0.0 5.37 498 453 A 47 THR H A 48 TYR H 1.0 0.0 3.62 499 454 A 49 LEU HD2% A 49 LEU H 1.0 0.0 4.88 500 455 A 49 LEU H A 49 LEU HG 1.0 0.0 3.80 501 456 A 50 LYS H A 46 ARG HA 1.0 0.0 5.78 502 457 A 18 ARG H A 76 LEU HD1% 1.0 0.0 5.50 503 458 A 51 TYR H A 47 THR HG2% 1.0 0.0 5.34 504 459 A 51 TYR H A 47 THR HA 1.0 0.0 5.78 505 460 A 52 SER H A 51 TYR HD% 1.0 0.0 5.45 506 461 A 53 ILE H A 53 ILE HG13 1.0 0.0 3.60 507 462 A 54 LYS H A 50 LYS HA 1.0 0.0 5.46 508 463 A 54 LYS H A 51 TYR HD% 1.0 0.0 5.28 509 464 A 55 ALA H A 53 ILE HA 1.0 0.0 5.67 510 465 A 51 TYR HA A 55 ALA H 1.0 0.0 5.47 511 466 A 56 LEU H A 57 VAL HG2% 1.0 0.0 5.50 512 467 A 56 LEU H A 52 SER HA 1.0 0.0 5.67 513 468 A 56 LEU H A 54 LYS HA 1.0 0.0 5.78 514 469 A 55 ALA HB% A 57 VAL H 1.0 0.0 5.53 515 470 A 59 ASN H A 57 VAL HG1% 1.0 0.0 5.78 516 471 A 59 ASN H A 57 VAL HG2% 1.0 0.0 5.78 517 472 A 59 ASN H A 58 GLN HBy 1.0 0.0 4.17 518 473 A 59 ASN H A 57 VAL H 1.0 0.0 5.53 519 474 A 59 ASN H A 61 THR H 1.0 0.0 5.13 520 475 A 59 ASN HD21 A 59 ASN HA 1.0 0.0 5.68 521 476 A 56 LEU HA A 59 ASN HD22 1.0 0.0 5.39 522 477 A 60 ASP H A 57 VAL HB 1.0 0.0 5.78 523 478 A 60 ASP H A 58 GLN HBx 1.0 0.0 5.78 524 479 A 60 ASP H A 58 GLN HBy 1.0 0.0 5.78 525 480 A 61 THR H A 60 ASP HBy 1.0 0.0 5.48 526 481 A 62 LEU H A 63 LEU H 1.0 0.0 5.65 527 482 A 57 VAL HG1% A 64 GLN HE2x 1.0 0.0 5.78 528 483 A 74 PHE HE% A 65 VAL H 1.0 0.0 5.51 529 484 A 65 VAL HB A 66 LYS H 1.0 0.0 4.70 530 485 A 65 VAL H A 66 LYS H 1.0 0.0 4.45 531 486 A 73 SER H A 65 VAL HG1% 1.0 0.0 5.38 532 487 A 73 SER H A 66 LYS HBy 1.0 0.0 5.76 533 488 A 73 SER H A 66 LYS HBx 1.0 0.0 5.76 534 489 A 63 LEU HD1% A 75 LYS H 1.0 0.0 5.60 535 490 A 75 LYS H A 75 LYS HGy 1.0 0.0 4.74 536 491 A 75 LYS H A 75 LYS HGx 1.0 0.0 4.74 537 492 A 74 PHE HB2 A 75 LYS H 1.0 0.0 4.78 538 493 A 74 PHE H A 75 LYS H 1.0 0.0 4.91 539 494 A 63 LEU H A 75 LYS H 1.0 0.0 3.95 540 495 A 76 LEU H A 76 LEU HD2% 1.0 0.0 4.26 541 496 A 76 LEU HG A 76 LEU H 1.0 0.0 3.33 542 497 A 77 ASN H A 76 LEU H 1.0 0.0 5.37 543 498 A 77 ASN H A 63 LEU HG 1.0 0.0 5.11 544 499 A 76 LEU HG A 77 ASN H 1.0 0.0 5.78 545 500 A 78 ARG H A 78 ARG HGy 1.0 0.0 5.57 546 501 A 78 ARG H A 78 ARG HGx 1.0 0.0 5.57 547 502 A 80 LYS H A 80 LYS HBy 1.0 0.0 3.84 548 503 A 81 LEU H A 79 LYS HA 1.0 0.0 4.59 549 504 A 81 LEU H A 82 GLU H 1.0 0.0 4.14 550 505 A 81 LEU HD1% A 82 GLU H 1.0 0.0 5.78 551 506 A 81 LEU HD2% A 82 GLU H 1.0 0.0 5.78 552 507 A 82 GLU H A 83 GLY H 1.0 0.0 4.48 553 508 A 25 SER H A 25 SER HG 1.0 0.0 5.54 554 509 A 24 GLY H A 25 SER H 1.0 0.0 5.67 555 510 A 25 SER H A 74 PHE HD% 1.0 0.0 5.78 556 511 A 35 LYS HA A 42 GLN HE22 1.0 0.0 4.66 557 512 A 3 MET HE% A 3 MET HG2 1.0 0.0 4.11 558 512 A 3 MET HG3 A 3 MET HE% 1.0 0.0 4.11 559 513 A 4 GLN HA A 5 PRO HDy 1.0 0.0 3.61 560 514 A 4 GLN HA A 5 PRO HDx 1.0 0.0 3.61 561 515 A 4 GLN HA A 4 GLN HG2 1.0 0.0 4.15 562 515 A 4 GLN HG3 A 4 GLN HA 1.0 0.0 4.15 563 516 A 15 THR H A 14 GLU HBx 1.0 0.0 4.17 564 517 A 5 PRO HDy A 4 GLN HBy 1.0 0.0 5.78 565 518 A 43 GLN HG3 A 43 GLN HBx 1.0 0.0 3.11 566 518 A 43 GLN HBx A 43 GLN HG2 1.0 0.0 3.11 567 519 A 43 GLN HG3 A 43 GLN HBy 1.0 0.0 3.11 568 519 A 43 GLN HBy A 43 GLN HG2 1.0 0.0 3.11 569 520 A 4 GLN HBx A 5 PRO HDx 1.0 0.0 5.78 570 521 A 10 GLN HA A 13 VAL HB 1.0 0.0 4.17 571 522 A 4 GLN HBy A 5 PRO HDx 1.0 0.0 5.78 572 523 A 38 PRO HD2 A 37 VAL HA 1.0 0.0 3.40 573 524 A 37 VAL HB A 38 PRO HD2 1.0 0.0 4.17 574 525 A 50 LYS HB2 A 50 LYS HD2 1.0 0.0 3.74 575 525 A 50 LYS HB3 A 50 LYS HD2 1.0 0.0 3.74 576 525 A 50 LYS HD3 A 50 LYS HB2 1.0 0.0 3.74 577 525 A 50 LYS HB3 A 50 LYS HD3 1.0 0.0 3.74 578 526 A 56 LEU H A 56 LEU HG 1.0 0.0 4.27 579 527 A 10 GLN H A 7 LYS HA 1.0 0.0 5.78 580 528 A 7 LYS HA A 7 LYS HG2 1.0 0.0 3.93 581 528 A 7 LYS HG3 A 7 LYS HA 1.0 0.0 3.93 582 529 A 7 LYS HB2 A 7 LYS HEx 1.0 0.0 4.99 583 529 A 7 LYS HB3 A 7 LYS HEx 1.0 0.0 4.99 584 530 A 7 LYS HB3 A 7 LYS HD2 1.0 0.0 4.09 585 530 A 7 LYS HD3 A 7 LYS HB2 1.0 0.0 4.09 586 530 A 7 LYS HB3 A 7 LYS HD3 1.0 0.0 4.09 587 530 A 7 LYS HB2 A 7 LYS HD2 1.0 0.0 4.09 588 531 A 49 LEU HD2% A 49 LEU HA 1.0 0.0 3.41 589 532 A 7 LYS HG3 A 7 LYS HEx 1.0 0.0 4.27 590 532 A 7 LYS HEx A 7 LYS HG2 1.0 0.0 4.27 591 533 A 7 LYS HA A 7 LYS HD2 1.0 0.0 5.18 592 533 A 7 LYS HA A 7 LYS HD3 1.0 0.0 5.18 593 534 A 7 LYS HG3 A 7 LYS HEy 1.0 0.0 4.27 594 534 A 7 LYS HEy A 7 LYS HG2 1.0 0.0 4.27 595 535 A 8 TYR HD% A 8 TYR HA 1.0 0.0 4.34 596 536 A 11 LEU HB3 A 8 TYR HA 1.0 0.0 3.68 597 537 A 11 LEU HB2 A 8 TYR HA 1.0 0.0 4.12 598 538 A 11 LEU HD2% A 8 TYR HA 1.0 0.0 4.54 599 539 A 8 TYR HB2 A 49 LEU HD2% 1.0 0.0 5.39 600 540 A 10 GLN H A 9 SER HBy 1.0 0.0 4.81 601 541 A 56 LEU HD1% A 9 SER HBy 1.0 0.0 4.76 602 542 A 10 GLN H A 9 SER HBx 1.0 0.0 4.81 603 543 A 65 VAL HA A 65 VAL HG1% 1.0 0.0 3.57 604 544 A 12 VAL HB A 9 SER HA 1.0 0.0 4.37 605 545 A 12 VAL HG2% A 9 SER HA 1.0 0.0 4.64 606 546 A 56 LEU HD1% A 9 SER HA 1.0 0.0 3.93 607 547 A 30 ILE H A 27 LEU HA 1.0 0.0 5.15 608 548 A 10 GLN HA A 10 GLN HGx 1.0 0.0 4.33 609 549 A 27 LEU HD1% A 27 LEU HA 1.0 0.0 3.42 610 550 A 58 GLN H A 58 GLN HBx 1.0 0.0 3.75 611 551 A 39 TRP HZ2 A 11 LEU HD2% 1.0 0.0 5.09 612 552 A 11 LEU HD2% A 34 ALA HA 1.0 0.0 4.63 613 553 A 11 LEU HB3 A 11 LEU HD2% 1.0 0.0 3.96 614 554 A 56 LEU HB3 A 56 LEU HD1% 1.0 0.0 3.73 615 555 A 11 LEU HD2% A 37 VAL HG2% 1.0 0.0 4.06 616 556 A 11 LEU HD2% A 37 VAL HG1% 1.0 0.0 4.48 617 557 A 11 LEU HG A 15 THR H 1.0 0.0 5.78 618 558 A 11 LEU HG A 15 THR HG1 1.0 0.0 4.53 619 559 A 51 TYR H A 48 TYR HA 1.0 0.0 4.74 620 560 A 52 SER H A 48 TYR HA 1.0 0.0 5.38 621 561 A 48 TYR HA A 51 TYR HB2 1.0 0.0 4.00 622 561 A 51 TYR HB3 A 48 TYR HA 1.0 0.0 4.00 623 562 A 11 LEU HA A 10 GLN HB2 1.0 0.0 4.43 624 562 A 10 GLN HB3 A 11 LEU HA 1.0 0.0 4.43 625 563 A 11 LEU HA A 14 GLU HBx 1.0 0.0 4.91 626 564 A 77 ASN H A 76 LEU HD2% 1.0 0.0 4.07 627 565 A 11 LEU HD1% A 15 THR HG1 1.0 0.0 3.98 628 566 A 11 LEU HD1% A 11 LEU HA 1.0 0.0 3.32 629 567 A 76 LEU HA A 76 LEU HD2% 1.0 0.0 3.50 630 568 A 13 VAL HA A 76 LEU HD2% 1.0 0.0 3.79 631 569 A 11 LEU HB3 A 11 LEU HD1% 1.0 0.0 3.90 632 570 A 13 VAL HB A 76 LEU HD2% 1.0 0.0 4.79 633 571 A 11 LEU HB2 A 11 LEU HD1% 1.0 0.0 3.51 634 572 A 76 LEU HB3 A 76 LEU HD2% 1.0 0.0 3.62 635 573 A 12 VAL HG2% A 13 VAL H 1.0 0.0 4.95 636 574 A 12 VAL HG2% A 52 SER HBy 1.0 0.0 4.26 637 575 A 12 VAL HG2% A 52 SER HBx 1.0 0.0 4.26 638 576 A 12 VAL HG2% A 53 ILE HG12 1.0 0.0 4.45 639 577 A 12 VAL HG2% A 53 ILE HD1% 1.0 0.0 5.00 640 578 A 15 THR H A 12 VAL HA 1.0 0.0 4.49 641 579 A 15 THR HG1 A 12 VAL HA 1.0 0.0 4.68 642 580 A 12 VAL HG2% A 12 VAL HA 1.0 0.0 3.43 643 581 A 49 LEU HD2% A 12 VAL HA 1.0 0.0 4.77 644 582 A 30 ILE HG2% A 12 VAL HA 1.0 0.0 3.99 645 583 A 12 VAL HG1% A 12 VAL HA 1.0 0.0 3.49 646 584 A 12 VAL HG1% A 16 ILE H 1.0 0.0 5.38 647 585 A 19 LEU HD2% A 19 LEU HA 1.0 0.0 3.08 648 586 A 12 VAL HG1% A 53 ILE HG13 1.0 0.0 4.09 649 587 A 12 VAL HG1% A 53 ILE HG12 1.0 0.0 3.64 650 588 A 12 VAL H A 13 VAL HG2% 1.0 0.0 4.95 651 589 A 13 VAL H A 13 VAL HG2% 1.0 0.0 3.32 652 590 A 57 VAL HA A 57 VAL HG2% 1.0 0.0 3.40 653 591 A 10 GLN HA A 13 VAL HG2% 1.0 0.0 3.99 654 592 A 13 VAL HG2% A 13 VAL HA 1.0 0.0 3.32 655 593 A 12 VAL HB A 13 VAL HG2% 1.0 0.0 4.85 656 594 A 57 VAL HG2% A 54 LYS HB2 1.0 0.0 5.51 657 594 A 54 LYS HB3 A 57 VAL HG2% 1.0 0.0 5.51 658 595 A 15 THR H A 13 VAL HA 1.0 0.0 5.13 659 596 A 16 ILE HB A 13 VAL HA 1.0 0.0 4.16 660 597 A 12 VAL HG1% A 13 VAL HA 1.0 0.0 4.48 661 598 A 13 VAL HG1% A 14 GLU H 1.0 0.0 4.42 662 599 A 13 VAL HG1% A 14 GLU HA 1.0 0.0 4.13 663 600 A 13 VAL HG1% A 13 VAL HA 1.0 0.0 3.45 664 601 A 13 VAL HG1% A 17 ARG HB2 1.0 0.0 4.47 665 601 A 17 ARG HB3 A 13 VAL HG1% 1.0 0.0 4.47 666 602 A 13 VAL HG1% A 76 LEU HG 1.0 0.0 4.69 667 603 A 14 GLU H A 14 GLU HBy 1.0 0.0 4.06 668 604 A 14 GLU H A 14 GLU HGy 1.0 0.0 4.45 669 605 A 57 VAL HG2% A 64 GLN HBy 1.0 0.0 5.78 670 606 A 14 GLU HA A 17 ARG HB2 1.0 0.0 3.63 671 606 A 17 ARG HB3 A 14 GLU HA 1.0 0.0 3.63 672 607 A 15 THR HG2% A 17 ARG H 1.0 0.0 5.78 673 608 A 15 THR HG2% A 30 ILE H 1.0 0.0 5.78 674 609 A 15 THR HG2% A 33 GLU H 1.0 0.0 5.26 675 610 A 15 THR HG1 A 15 THR HG2% 1.0 0.0 4.18 676 611 A 61 THR HG2% A 61 THR HA 1.0 0.0 3.37 677 612 A 15 THR HG2% A 30 ILE HA 1.0 0.0 3.46 678 613 A 15 THR HG2% A 33 GLU HG2 1.0 0.0 4.34 679 614 A 15 THR HG2% A 33 GLU HG3 1.0 0.0 4.03 680 615 A 15 THR HG2% A 33 GLU HB2 1.0 0.0 3.21 681 615 A 15 THR HG2% A 33 GLU HB3 1.0 0.0 3.21 682 616 A 15 THR HG2% A 30 ILE HG2% 1.0 0.0 3.59 683 617 A 15 THR HG2% A 19 LEU HD1% 1.0 0.0 3.31 684 618 A 15 THR HB A 33 GLU HB2 1.0 0.0 4.82 685 618 A 15 THR HB A 33 GLU HB3 1.0 0.0 4.82 686 619 A 12 VAL HG1% A 15 THR HB 1.0 0.0 5.02 687 620 A 15 THR HG1 A 15 THR HA 1.0 0.0 4.17 688 621 A 15 THR HB A 15 THR HA 1.0 0.0 3.16 689 622 A 15 THR HA A 18 ARG HBx 1.0 0.0 4.92 690 623 A 15 THR HA A 33 GLU HB2 1.0 0.0 4.80 691 623 A 15 THR HA A 33 GLU HB3 1.0 0.0 4.80 692 624 A 15 THR HG2% A 15 THR HA 1.0 0.0 3.54 693 625 A 30 ILE HG2% A 15 THR HA 1.0 0.0 5.46 694 626 A 15 THR HA A 19 LEU HD1% 1.0 0.0 5.59 695 627 A 15 THR HA A 19 LEU HD2% 1.0 0.0 5.78 696 628 A 16 ILE HG2% A 25 SER H 1.0 0.0 4.85 697 629 A 16 ILE HG2% A 75 LYS HA 1.0 0.0 3.73 698 630 A 16 ILE HG2% A 76 LEU HG 1.0 0.0 3.52 699 631 A 16 ILE HB A 17 ARG H 1.0 0.0 4.22 700 632 A 16 ILE HB A 76 LEU HD1% 1.0 0.0 4.69 701 633 A 16 ILE HB A 76 LEU HD2% 1.0 0.0 4.95 702 634 A 16 ILE HB A 16 ILE HD1% 1.0 0.0 3.65 703 635 A 16 ILE HA A 17 ARG HA 1.0 0.0 5.53 704 636 A 16 ILE HA A 16 ILE HG1y 1.0 0.0 4.06 705 637 A 16 ILE HA A 19 LEU HB3 1.0 0.0 5.28 706 638 A 15 THR HG2% A 16 ILE HA 1.0 0.0 5.21 707 639 A 16 ILE HG2% A 16 ILE HA 1.0 0.0 3.70 708 640 A 16 ILE HA A 16 ILE HG1x 1.0 0.0 4.06 709 641 A 16 ILE HA A 19 LEU HD1% 1.0 0.0 4.00 710 642 A 16 ILE HD1% A 74 PHE HD% 1.0 0.0 5.20 711 643 A 16 ILE HD1% A 13 VAL HA 1.0 0.0 4.16 712 644 A 16 ILE HD1% A 74 PHE HB2 1.0 0.0 4.15 713 645 A 16 ILE HD1% A 62 LEU HG 1.0 0.0 5.08 714 646 A 16 ILE HD1% A 62 LEU HB2 1.0 0.0 5.00 715 646 A 62 LEU HB3 A 16 ILE HD1% 1.0 0.0 5.00 716 647 A 16 ILE HG2% A 16 ILE HD1% 1.0 0.0 3.15 717 648 A 16 ILE HD1% A 53 ILE HD1% 1.0 0.0 4.85 718 649 A 20 GLY H A 18 ARG HA 1.0 0.0 5.78 719 650 A 18 ARG HA A 18 ARG HD2 1.0 0.0 4.68 720 650 A 18 ARG HA A 18 ARG HD3 1.0 0.0 4.68 721 651 A 22 ARG HA A 22 ARG HD2 1.0 0.0 5.07 722 651 A 22 ARG HA A 22 ARG HD3 1.0 0.0 5.07 723 652 A 17 ARG HA A 17 ARG HGy 1.0 0.0 4.09 724 653 A 18 ARG HA A 18 ARG HGy 1.0 0.0 4.34 725 654 A 17 ARG HA A 17 ARG HGx 1.0 0.0 4.09 726 655 A 15 THR HA A 18 ARG HBy 1.0 0.0 4.92 727 656 A 82 GLU HG3 A 82 GLU HBx 1.0 0.0 3.10 728 656 A 82 GLU HBx A 82 GLU HG2 1.0 0.0 3.10 729 657 A 61 THR HB A 62 LEU HG 1.0 0.0 5.18 730 658 A 17 ARG HB3 A 17 ARG HD2 1.0 0.0 3.59 731 658 A 17 ARG HB2 A 17 ARG HD2 1.0 0.0 3.59 732 658 A 17 ARG HD3 A 17 ARG HB2 1.0 0.0 3.59 733 658 A 17 ARG HB3 A 17 ARG HD3 1.0 0.0 3.59 734 659 A 13 VAL HG1% A 17 ARG HD2 1.0 0.0 4.87 735 659 A 13 VAL HG1% A 17 ARG HD3 1.0 0.0 4.87 736 660 A 17 ARG H A 17 ARG HGy 1.0 0.0 5.25 737 661 A 81 LEU H A 81 LEU HG 1.0 0.0 4.77 738 662 A 18 ARG HA A 18 ARG HGx 1.0 0.0 4.34 739 663 A 30 ILE HA A 33 GLU HB2 1.0 0.0 4.88 740 663 A 33 GLU HB3 A 30 ILE HA 1.0 0.0 4.88 741 664 A 19 LEU HD2% A 33 GLU HG3 1.0 0.0 3.97 742 665 A 15 THR HG2% A 19 LEU HG 1.0 0.0 4.76 743 666 A 33 GLU HA A 36 LYS HE2 1.0 0.0 4.15 744 666 A 33 GLU HA A 36 LYS HE3 1.0 0.0 4.15 745 667 A 33 GLU HA A 36 LYS HD2 1.0 0.0 4.04 746 667 A 33 GLU HA A 36 LYS HD3 1.0 0.0 4.04 747 668 A 36 LYS HG3 A 33 GLU HA 1.0 0.0 4.19 748 669 A 15 THR HG2% A 33 GLU HA 1.0 0.0 5.37 749 670 A 36 LYS HG2 A 33 GLU HA 1.0 0.0 5.60 750 671 A 19 LEU HD1% A 25 SER HG 1.0 0.0 4.92 751 672 A 19 LEU HD1% A 29 LYS HE2 1.0 0.0 4.75 752 672 A 19 LEU HD1% A 29 LYS HE3 1.0 0.0 4.75 753 673 A 19 LEU HD1% A 33 GLU HG2 1.0 0.0 5.08 754 674 A 19 LEU HD1% A 33 GLU HG3 1.0 0.0 4.41 755 675 A 19 LEU HB3 A 19 LEU HD1% 1.0 0.0 3.96 756 676 A 46 ARG HA A 49 LEU HB3 1.0 0.0 4.83 757 677 A 49 LEU HB3 A 53 ILE HG13 1.0 0.0 4.88 758 678 A 49 LEU HD1% A 49 LEU HB3 1.0 0.0 3.96 759 679 A 25 SER HG A 21 GLU HGx 1.0 0.0 5.37 760 680 A 30 ILE HB A 27 LEU HA 1.0 0.0 4.01 761 681 A 19 LEU HB3 A 21 GLU HGx 1.0 0.0 4.67 762 682 A 25 SER HG A 21 GLU HGy 1.0 0.0 5.37 763 683 A 66 LYS HA A 66 LYS HG2 1.0 0.0 4.11 764 683 A 66 LYS HG3 A 66 LYS HA 1.0 0.0 4.11 765 684 A 78 ARG HA A 78 ARG HD2 1.0 0.0 4.44 766 684 A 78 ARG HA A 78 ARG HD3 1.0 0.0 4.44 767 685 A 23 ASN HA A 75 LYS HD2 1.0 0.0 4.22 768 685 A 23 ASN HA A 75 LYS HD3 1.0 0.0 4.22 769 686 A 24 GLY HA3 A 23 ASN HA 1.0 0.0 5.34 770 687 A 24 GLY HA3 A 75 LYS HA 1.0 0.0 5.63 771 688 A 24 GLY HA3 A 75 LYS HBy 1.0 0.0 5.42 772 689 A 24 GLY HA3 A 75 LYS HGy 1.0 0.0 5.15 773 690 A 24 GLY HA3 A 75 LYS HGx 1.0 0.0 5.15 774 691 A 24 GLY HA2 A 75 LYS HA 1.0 0.0 4.73 775 692 A 24 GLY HA2 A 73 SER HBx 1.0 0.0 5.29 776 693 A 24 GLY HA2 A 75 LYS HBy 1.0 0.0 5.07 777 694 A 24 GLY HA2 A 75 LYS HGy 1.0 0.0 5.20 778 695 A 24 GLY HA2 A 75 LYS HGx 1.0 0.0 5.20 779 696 A 24 GLY HA2 A 65 VAL HG2% 1.0 0.0 5.11 780 697 A 19 LEU HD1% A 25 SER HBx 1.0 0.0 4.11 781 698 A 30 ILE HD1% A 25 SER HBx 1.0 0.0 4.60 782 699 A 19 LEU HD1% A 25 SER HBy 1.0 0.0 4.11 783 700 A 25 SER HA A 25 SER HG 1.0 0.0 4.19 784 701 A 25 SER HA A 73 SER HA 1.0 0.0 5.07 785 702 A 25 SER HA A 29 LYS HB2 1.0 0.0 4.82 786 702 A 25 SER HA A 29 LYS HB3 1.0 0.0 4.82 787 703 A 26 SER H A 26 SER HBy 1.0 0.0 4.38 788 704 A 28 ALA H A 26 SER HBy 1.0 0.0 5.08 789 705 A 27 LEU H A 26 SER HBx 1.0 0.0 4.41 790 706 A 28 ALA H A 26 SER HBx 1.0 0.0 5.08 791 707 A 28 ALA HB% A 26 SER HBx 1.0 0.0 5.39 792 708 A 27 LEU HD2% A 27 LEU HA 1.0 0.0 4.85 793 709 A 27 LEU HD2% A 50 LYS HA 1.0 0.0 4.73 794 710 A 27 LEU HD2% A 50 LYS HE2 1.0 0.0 4.68 795 710 A 27 LEU HD2% A 50 LYS HE3 1.0 0.0 4.68 796 711 A 27 LEU HD2% A 27 LEU HBy 1.0 0.0 3.69 797 712 A 27 LEU HD2% A 53 ILE HD1% 1.0 0.0 4.54 798 713 A 74 PHE HE% A 27 LEU HBx 1.0 0.0 5.33 799 714 A 58 GLN HA A 58 GLN HGx 1.0 0.0 4.15 800 715 A 27 LEU HD1% A 31 TYR H 1.0 0.0 4.90 801 716 A 17 ARG H A 76 LEU HD2% 1.0 0.0 5.15 802 717 A 27 LEU HD1% A 28 ALA H 1.0 0.0 5.78 803 718 A 27 LEU HD1% A 31 TYR HD% 1.0 0.0 5.71 804 719 A 27 LEU HD1% A 74 PHE HD% 1.0 0.0 5.78 805 720 A 28 ALA H A 27 LEU HBy 1.0 0.0 4.68 806 721 A 74 PHE HE% A 27 LEU HBy 1.0 0.0 5.33 807 722 A 28 ALA HB% A 26 SER HBy 1.0 0.0 5.39 808 723 A 55 ALA HB% A 56 LEU HA 1.0 0.0 5.49 809 724 A 28 ALA HB% A 29 LYS HB2 1.0 0.0 5.41 810 724 A 29 LYS HB3 A 28 ALA HB% 1.0 0.0 5.41 811 725 A 27 LEU HD2% A 28 ALA HB% 1.0 0.0 5.46 812 726 A 28 ALA HA A 31 TYR HB3 1.0 0.0 4.01 813 727 A 28 ALA HA A 31 TYR HB2 1.0 0.0 4.53 814 728 A 27 LEU HG A 28 ALA HA 1.0 0.0 5.08 815 729 A 27 LEU HD1% A 28 ALA HA 1.0 0.0 5.78 816 730 A 27 LEU HD2% A 28 ALA HA 1.0 0.0 5.78 817 731 A 29 LYS HA A 32 THR HG2% 1.0 0.0 4.97 818 732 A 29 LYS HB2 A 29 LYS HE2 1.0 0.0 5.01 819 732 A 29 LYS HB3 A 29 LYS HE2 1.0 0.0 5.01 820 732 A 29 LYS HE3 A 29 LYS HB2 1.0 0.0 5.01 821 732 A 29 LYS HB3 A 29 LYS HE3 1.0 0.0 5.01 822 733 A 19 LEU HD1% A 29 LYS HB2 1.0 0.0 4.34 823 733 A 19 LEU HD1% A 29 LYS HB3 1.0 0.0 4.34 824 734 A 29 LYS H A 29 LYS HGx 1.0 0.0 5.48 825 735 A 80 LYS HA A 80 LYS HE2 1.0 0.0 5.43 826 735 A 80 LYS HA A 80 LYS HE3 1.0 0.0 5.43 827 736 A 29 LYS HA A 29 LYS HE2 1.0 0.0 4.85 828 736 A 29 LYS HA A 29 LYS HE3 1.0 0.0 4.85 829 737 A 29 LYS HGx A 29 LYS HE2 1.0 0.0 4.37 830 737 A 29 LYS HE3 A 29 LYS HGx 1.0 0.0 4.37 831 738 A 19 LEU HD2% A 29 LYS HE2 1.0 0.0 3.76 832 738 A 19 LEU HD2% A 29 LYS HE3 1.0 0.0 3.76 833 739 A 29 LYS HA A 29 LYS HDx 1.0 0.0 4.48 834 740 A 19 LEU HD1% A 29 LYS HDx 1.0 0.0 5.62 835 741 A 19 LEU HD2% A 29 LYS HDx 1.0 0.0 5.78 836 742 A 29 LYS H A 29 LYS HGy 1.0 0.0 5.48 837 743 A 29 LYS HE2 A 29 LYS HGy 1.0 0.0 4.37 838 743 A 29 LYS HE3 A 29 LYS HGy 1.0 0.0 4.37 839 744 A 19 LEU HD1% A 29 LYS HGy 1.0 0.0 4.34 840 745 A 29 LYS HA A 29 LYS HDy 1.0 0.0 4.48 841 746 A 19 LEU HD1% A 29 LYS HDy 1.0 0.0 5.62 842 747 A 19 LEU HD2% A 29 LYS HDy 1.0 0.0 5.78 843 748 A 15 THR H A 30 ILE HG2% 1.0 0.0 5.78 844 749 A 15 THR HG1 A 30 ILE HG2% 1.0 0.0 5.23 845 750 A 15 THR HB A 30 ILE HG2% 1.0 0.0 4.16 846 751 A 30 ILE HG2% A 27 LEU HA 1.0 0.0 4.65 847 752 A 30 ILE HG2% A 31 TYR HA 1.0 0.0 4.78 848 753 A 30 ILE HG2% A 30 ILE HA 1.0 0.0 3.62 849 754 A 30 ILE HG2% A 30 ILE HG1y 1.0 0.0 4.36 850 755 A 12 VAL HG2% A 30 ILE HG2% 1.0 0.0 3.62 851 756 A 30 ILE HG2% A 49 LEU HD1% 1.0 0.0 3.79 852 757 A 12 VAL HG1% A 30 ILE HG2% 1.0 0.0 3.18 853 758 A 30 ILE HG2% A 30 ILE HD1% 1.0 0.0 3.33 854 759 A 30 ILE HG2% A 53 ILE HD1% 1.0 0.0 4.13 855 760 A 30 ILE HG2% A 30 ILE HG1x 1.0 0.0 4.36 856 761 A 30 ILE HA A 30 ILE HG1y 1.0 0.0 4.24 857 762 A 19 LEU HD1% A 30 ILE HA 1.0 0.0 3.91 858 763 A 30 ILE HD1% A 27 LEU HA 1.0 0.0 3.78 859 764 A 30 ILE HD1% A 25 SER HBy 1.0 0.0 4.60 860 765 A 30 ILE HD1% A 30 ILE HA 1.0 0.0 4.35 861 766 A 30 ILE HD1% A 74 PHE HB2 1.0 0.0 4.64 862 767 A 30 ILE HD1% A 30 ILE HB 1.0 0.0 3.37 863 768 A 12 VAL HG2% A 30 ILE HD1% 1.0 0.0 5.08 864 769 A 34 ALA H A 31 TYR HA 1.0 0.0 4.73 865 770 A 31 TYR HA A 40 PHE HE% 1.0 0.0 5.78 866 771 A 49 LEU HD1% A 31 TYR HA 1.0 0.0 3.66 867 772 A 34 ALA HB% A 31 TYR HA 1.0 0.0 3.79 868 773 A 63 LEU HG A 77 ASN HBy 1.0 0.0 4.76 869 774 A 31 TYR HB3 A 49 LEU HD1% 1.0 0.0 4.96 870 775 A 63 LEU HD1% A 77 ASN HBy 1.0 0.0 5.18 871 776 A 30 ILE HG2% A 31 TYR HB2 1.0 0.0 5.78 872 777 A 31 TYR HD% A 32 THR HG2% 1.0 0.0 4.96 873 778 A 32 THR HG2% A 33 GLU HG2 1.0 0.0 5.38 874 779 A 32 THR HG2% A 33 GLU HB2 1.0 0.0 5.61 875 779 A 33 GLU HB3 A 32 THR HG2% 1.0 0.0 5.61 876 780 A 56 LEU HD2% A 61 THR HG2% 1.0 0.0 3.06 877 781 A 31 TYR HD% A 32 THR HA 1.0 0.0 5.10 878 782 A 32 THR HG2% A 32 THR HA 1.0 0.0 3.44 879 783 A 32 THR HA A 35 LYS HD3 1.0 0.0 3.95 880 784 A 32 THR HA A 35 LYS HB2 1.0 0.0 5.53 881 785 A 32 THR HA A 35 LYS HG3 1.0 0.0 5.73 882 786 A 45 GLY HA2 A 48 TYR HB2 1.0 0.0 4.46 883 786 A 45 GLY HA2 A 48 TYR HB3 1.0 0.0 4.46 884 787 A 34 ALA HB% A 37 VAL HG2% 1.0 0.0 5.16 885 788 A 11 LEU HD1% A 34 ALA HA 1.0 0.0 3.99 886 789 A 34 ALA HA A 37 VAL HG2% 1.0 0.0 4.07 887 790 A 34 ALA HB% A 35 LYS HA 1.0 0.0 5.29 888 791 A 35 LYS HA A 35 LYS HD2 1.0 0.0 5.78 889 792 A 36 LYS H A 35 LYS HB3 1.0 0.0 5.72 890 793 A 31 TYR HD% A 35 LYS HEx 1.0 0.0 5.78 891 794 A 35 LYS HB3 A 35 LYS HEx 1.0 0.0 4.89 892 795 A 35 LYS HB2 A 35 LYS HD2 1.0 0.0 4.14 893 796 A 32 THR HA A 35 LYS HG2 1.0 0.0 4.96 894 797 A 35 LYS H A 35 LYS HD3 1.0 0.0 5.47 895 798 A 35 LYS HB2 A 35 LYS HD3 1.0 0.0 4.44 896 799 A 35 LYS HB3 A 35 LYS HEy 1.0 0.0 4.89 897 800 A 36 LYS HG3 A 36 LYS HA 1.0 0.0 4.08 898 801 A 36 LYS HG2 A 36 LYS HA 1.0 0.0 3.70 899 802 A 35 LYS HB2 A 36 LYS HA 1.0 0.0 5.78 900 803 A 35 LYS HG3 A 36 LYS HA 1.0 0.0 5.78 901 804 A 50 LYS HB2 A 50 LYS HE2 1.0 0.0 4.25 902 804 A 50 LYS HB3 A 50 LYS HE2 1.0 0.0 4.25 903 804 A 50 LYS HE3 A 50 LYS HB2 1.0 0.0 4.25 904 804 A 50 LYS HB3 A 50 LYS HE3 1.0 0.0 4.25 905 805 A 36 LYS HG2 A 36 LYS HE2 1.0 0.0 4.03 906 805 A 36 LYS HG2 A 36 LYS HE3 1.0 0.0 4.03 907 806 A 36 LYS H A 36 LYS HD2 1.0 0.0 5.21 908 806 A 36 LYS H A 36 LYS HD3 1.0 0.0 5.21 909 807 A 36 LYS H A 37 VAL HG2% 1.0 0.0 4.58 910 808 A 37 VAL HG2% A 37 VAL HA 1.0 0.0 3.82 911 809 A 37 VAL HG2% A 36 LYS HA 1.0 0.0 5.23 912 810 A 37 VAL HG2% A 40 PHE HB2 1.0 0.0 4.04 913 811 A 11 LEU HD1% A 37 VAL HG2% 1.0 0.0 3.38 914 812 A 37 VAL HB A 39 TRP HD1 1.0 0.0 3.94 915 813 A 37 VAL HB A 40 PHE HB2 1.0 0.0 4.53 916 814 A 11 LEU HD1% A 37 VAL HB 1.0 0.0 5.00 917 815 A 37 VAL HA A 38 PRO HD3 1.0 0.0 3.14 918 816 A 37 VAL HA A 38 PRO HG2 1.0 0.0 4.96 919 816 A 38 PRO HG3 A 37 VAL HA 1.0 0.0 4.96 920 817 A 37 VAL HG1% A 37 VAL HA 1.0 0.0 3.68 921 818 A 37 VAL HG1% A 39 TRP HD1 1.0 0.0 3.86 922 819 A 37 VAL HG1% A 38 PRO HD2 1.0 0.0 4.04 923 820 A 37 VAL H A 38 PRO HD3 1.0 0.0 5.78 924 821 A 39 TRP HD1 A 38 PRO HD3 1.0 0.0 5.78 925 822 A 39 TRP H A 38 PRO HD3 1.0 0.0 5.33 926 823 A 37 VAL HB A 38 PRO HD3 1.0 0.0 4.61 927 824 A 37 VAL HG2% A 38 PRO HD3 1.0 0.0 4.99 928 825 A 37 VAL HG1% A 38 PRO HD3 1.0 0.0 4.44 929 826 A 40 PHE HA A 39 TRP HE3 1.0 0.0 4.25 930 827 A 37 VAL HG2% A 40 PHE HA 1.0 0.0 5.13 931 828 A 77 ASN HD2y A 60 ASP HBx 1.0 0.0 4.87 932 829 A 37 VAL HB A 40 PHE HB3 1.0 0.0 5.21 933 830 A 37 VAL HG2% A 40 PHE HB3 1.0 0.0 4.77 934 831 A 37 VAL HG1% A 40 PHE HB3 1.0 0.0 5.40 935 832 A 39 TRP HZ2 A 40 PHE HB2 1.0 0.0 5.78 936 833 A 41 ASP HB3 A 45 GLY HA3 1.0 0.0 5.53 937 834 A 41 ASP HB2 A 45 GLY H 1.0 0.0 5.48 938 835 A 42 GLN HG2 A 42 GLN HA 1.0 0.0 4.40 939 836 A 42 GLN H A 42 GLN HG3 1.0 0.0 4.28 940 837 A 40 PHE HD% A 42 GLN HG3 1.0 0.0 5.43 941 838 A 43 GLN HA A 43 GLN HG2 1.0 0.0 3.80 942 838 A 43 GLN HG3 A 43 GLN HA 1.0 0.0 3.80 943 839 A 40 PHE HE% A 45 GLY HA3 1.0 0.0 4.53 944 840 A 49 LEU H A 45 GLY HA2 1.0 0.0 5.78 945 841 A 45 GLY HA2 A 40 PHE HE% 1.0 0.0 5.41 946 842 A 41 ASP H A 45 GLY HA2 1.0 0.0 5.78 947 843 A 31 TYR HD% A 46 ARG HA 1.0 0.0 4.41 948 844 A 46 ARG HA A 49 LEU HB2 1.0 0.0 4.11 949 845 A 46 ARG HA A 46 ARG HGy 1.0 0.0 4.12 950 846 A 49 LEU HD1% A 46 ARG HA 1.0 0.0 3.96 951 847 A 46 ARG HA A 46 ARG HGx 1.0 0.0 4.12 952 848 A 31 TYR HD% A 46 ARG HGx 1.0 0.0 5.39 953 849 A 31 TYR HD% A 46 ARG HDx 1.0 0.0 5.78 954 850 A 46 ARG HB3 A 46 ARG HDx 1.0 0.0 4.35 955 851 A 46 ARG HB2 A 46 ARG HDx 1.0 0.0 4.28 956 852 A 46 ARG HB3 A 46 ARG HDy 1.0 0.0 4.35 957 853 A 46 ARG HB2 A 46 ARG HDy 1.0 0.0 4.28 958 854 A 47 THR H A 47 THR HG2% 1.0 0.0 4.87 959 855 A 47 THR HG2% A 48 TYR HA 1.0 0.0 5.31 960 856 A 47 THR HG2% A 47 THR HA 1.0 0.0 3.49 961 857 A 47 THR HG2% A 50 LYS HB2 1.0 0.0 5.48 962 857 A 50 LYS HB3 A 47 THR HG2% 1.0 0.0 5.48 963 858 A 47 THR HG2% A 50 LYS HD2 1.0 0.0 5.00 964 858 A 47 THR HG2% A 50 LYS HD3 1.0 0.0 5.00 965 859 A 47 THR HB A 44 ASN HA 1.0 0.0 4.83 966 860 A 50 LYS H A 47 THR HA 1.0 0.0 4.63 967 861 A 47 THR HA A 50 LYS HB2 1.0 0.0 3.77 968 861 A 50 LYS HB3 A 47 THR HA 1.0 0.0 3.77 969 862 A 47 THR HA A 50 LYS HD2 1.0 0.0 4.43 970 862 A 47 THR HA A 50 LYS HD3 1.0 0.0 4.43 971 863 A 74 PHE HD% A 57 VAL HG2% 1.0 0.0 3.90 972 864 A 49 LEU HD2% A 40 PHE HD% 1.0 0.0 5.74 973 865 A 49 LEU HD2% A 8 TYR HB3 1.0 0.0 4.71 974 866 A 49 LEU HD2% A 49 LEU HB3 1.0 0.0 3.77 975 867 A 46 ARG HA A 49 LEU HG 1.0 0.0 5.29 976 868 A 31 TYR HB2 A 49 LEU HD1% 1.0 0.0 4.60 977 869 A 30 ILE HB A 49 LEU HD1% 1.0 0.0 5.48 978 870 A 49 LEU HD1% A 53 ILE HD1% 1.0 0.0 5.34 979 871 A 27 LEU HD1% A 49 LEU HB3 1.0 0.0 4.28 980 872 A 53 ILE H A 50 LYS HA 1.0 0.0 4.86 981 873 A 50 LYS HA A 50 LYS HGy 1.0 0.0 4.20 982 874 A 50 LYS HA A 50 LYS HGx 1.0 0.0 4.20 983 875 A 27 LEU HD1% A 50 LYS HA 1.0 0.0 4.21 984 876 A 51 TYR H A 50 LYS HB2 1.0 0.0 4.08 985 876 A 51 TYR H A 50 LYS HB3 1.0 0.0 4.08 986 877 A 27 LEU HD1% A 50 LYS HB2 1.0 0.0 4.71 987 877 A 27 LEU HD1% A 50 LYS HB3 1.0 0.0 4.71 988 878 A 27 LEU HD2% A 50 LYS HB2 1.0 0.0 5.08 989 878 A 27 LEU HD2% A 50 LYS HB3 1.0 0.0 5.08 990 879 A 51 TYR HA A 54 LYS HB2 1.0 0.0 3.77 991 879 A 54 LYS HB3 A 51 TYR HA 1.0 0.0 3.77 992 880 A 51 TYR HA A 50 LYS HD2 1.0 0.0 5.18 993 880 A 51 TYR HA A 50 LYS HD3 1.0 0.0 5.18 994 881 A 51 TYR HA A 54 LYS HD2 1.0 0.0 5.67 995 881 A 51 TYR HA A 54 LYS HD3 1.0 0.0 5.67 996 882 A 55 ALA HB% A 52 SER HBy 1.0 0.0 5.46 997 883 A 52 SER HA A 55 ALA HB% 1.0 0.0 4.19 998 884 A 12 VAL HG2% A 52 SER HA 1.0 0.0 5.08 999 885 A 74 PHE HE% A 53 ILE HG2% 1.0 0.0 4.08 1000 886 A 74 PHE HD% A 53 ILE HG2% 1.0 0.0 4.46 1001 887 A 53 ILE HG2% A 54 LYS HA 1.0 0.0 4.55 1002 888 A 53 ILE HG2% A 62 LEU HB2 1.0 0.0 5.21 1003 888 A 62 LEU HB3 A 53 ILE HG2% 1.0 0.0 5.21 1004 889 A 53 ILE HG2% A 57 VAL HG2% 1.0 0.0 3.56 1005 890 A 27 LEU HD1% A 53 ILE HG2% 1.0 0.0 3.62 1006 891 A 53 ILE HG2% A 62 LEU HD1% 1.0 0.0 3.90 1007 892 A 53 ILE HG2% A 53 ILE HD1% 1.0 0.0 3.20 1008 893 A 12 VAL HG2% A 53 ILE HG13 1.0 0.0 4.39 1009 894 A 53 ILE HG12 A 53 ILE HG2% 1.0 0.0 4.28 1010 895 A 53 ILE HB A 50 LYS HA 1.0 0.0 4.09 1011 896 A 53 ILE HA A 56 LEU HB2 1.0 0.0 3.84 1012 897 A 53 ILE HA A 53 ILE HG13 1.0 0.0 3.95 1013 898 A 53 ILE HA A 57 VAL HG2% 1.0 0.0 5.18 1014 899 A 56 LEU HD1% A 53 ILE HA 1.0 0.0 3.91 1015 900 A 53 ILE HA A 62 LEU HD1% 1.0 0.0 3.92 1016 901 A 53 ILE HG12 A 53 ILE HA 1.0 0.0 3.71 1017 902 A 53 ILE HG2% A 53 ILE HA 1.0 0.0 3.73 1018 903 A 53 ILE H A 53 ILE HD1% 1.0 0.0 4.50 1019 904 A 74 PHE HE% A 53 ILE HD1% 1.0 0.0 4.90 1020 905 A 74 PHE HD% A 53 ILE HD1% 1.0 0.0 4.85 1021 906 A 27 LEU HA A 53 ILE HD1% 1.0 0.0 4.38 1022 907 A 50 LYS HA A 53 ILE HD1% 1.0 0.0 4.07 1023 908 A 53 ILE HA A 53 ILE HD1% 1.0 0.0 4.29 1024 909 A 30 ILE HB A 53 ILE HD1% 1.0 0.0 4.50 1025 910 A 49 LEU HB3 A 53 ILE HD1% 1.0 0.0 4.54 1026 911 A 27 LEU HD1% A 53 ILE HD1% 1.0 0.0 3.23 1027 912 A 30 ILE HD1% A 53 ILE HD1% 1.0 0.0 3.18 1028 913 A 57 VAL HB A 54 LYS HA 1.0 0.0 3.85 1029 914 A 54 LYS HA A 54 LYS HGy 1.0 0.0 4.46 1030 915 A 54 LYS HA A 57 VAL HG2% 1.0 0.0 4.25 1031 916 A 55 ALA H A 54 LYS HGx 1.0 0.0 5.78 1032 917 A 54 LYS HA A 54 LYS HGx 1.0 0.0 4.46 1033 918 A 54 LYS H A 54 LYS HGy 1.0 0.0 5.04 1034 919 A 55 ALA HB% A 58 GLN HBy 1.0 0.0 5.26 1035 920 A 58 GLN H A 55 ALA HA 1.0 0.0 4.54 1036 921 A 55 ALA HA A 58 GLN HGx 1.0 0.0 5.49 1037 922 A 55 ALA HA A 58 GLN HBx 1.0 0.0 4.12 1038 923 A 56 LEU H A 56 LEU HD2% 1.0 0.0 4.63 1039 924 A 62 LEU H A 56 LEU HD2% 1.0 0.0 5.09 1040 925 A 56 LEU HD2% A 59 ASN HD22 1.0 0.0 4.38 1041 926 A 56 LEU HD2% A 56 LEU HA 1.0 0.0 3.31 1042 927 A 56 LEU HD2% A 9 SER HBx 1.0 0.0 4.25 1043 928 A 55 ALA HB% A 56 LEU HD2% 1.0 0.0 4.81 1044 929 A 56 LEU HB3 A 56 LEU HD2% 1.0 0.0 3.46 1045 930 A 56 LEU HB2 A 61 THR HB 1.0 0.0 4.89 1046 931 A 56 LEU HB2 A 62 LEU HG 1.0 0.0 4.28 1047 932 A 56 LEU HB2 A 57 VAL HG2% 1.0 0.0 5.37 1048 933 A 56 LEU HA A 56 LEU HG 1.0 0.0 4.38 1049 934 A 56 LEU HD1% A 56 LEU H 1.0 0.0 4.44 1050 935 A 13 VAL H A 56 LEU HD1% 1.0 0.0 5.05 1051 936 A 56 LEU HD1% A 56 LEU HA 1.0 0.0 4.79 1052 937 A 56 LEU HD1% A 9 SER HBx 1.0 0.0 4.76 1053 938 A 56 LEU HD1% A 52 SER HBx 1.0 0.0 5.29 1054 939 A 12 VAL HB A 56 LEU HD1% 1.0 0.0 4.01 1055 940 A 56 LEU HB3 A 62 LEU HG 1.0 0.0 4.05 1056 941 A 57 VAL HA A 62 LEU HB2 1.0 0.0 4.03 1057 941 A 57 VAL HA A 62 LEU HB3 1.0 0.0 4.03 1058 942 A 57 VAL HA A 57 VAL HG1% 1.0 0.0 3.33 1059 943 A 65 VAL H A 65 VAL HG1% 1.0 0.0 4.59 1060 944 A 65 VAL HG1% A 23 ASN HA 1.0 0.0 5.16 1061 945 A 65 VAL HG1% A 75 LYS HD2 1.0 0.0 4.35 1062 945 A 65 VAL HG1% A 75 LYS HD3 1.0 0.0 4.35 1063 946 A 65 VAL HG1% A 66 LYS HG2 1.0 0.0 4.73 1064 946 A 66 LYS HG3 A 65 VAL HG1% 1.0 0.0 4.73 1065 947 A 58 GLN HA A 58 GLN HGy 1.0 0.0 4.15 1066 948 A 77 ASN HD2x A 60 ASP HBx 1.0 0.0 4.87 1067 949 A 62 LEU H A 60 ASP HA 1.0 0.0 4.62 1068 950 A 62 LEU H A 61 THR HG2% 1.0 0.0 4.69 1069 951 A 62 LEU H A 61 THR HB 1.0 0.0 4.47 1070 952 A 61 THR HB A 56 LEU HG 1.0 0.0 5.78 1071 953 A 61 THR HA A 80 LYS HD2 1.0 0.0 5.23 1072 953 A 61 THR HA A 80 LYS HD3 1.0 0.0 5.23 1073 954 A 62 LEU H A 62 LEU HD2% 1.0 0.0 4.97 1074 955 A 62 LEU HA A 62 LEU HD2% 1.0 0.0 3.40 1075 956 A 76 LEU HA A 62 LEU HD2% 1.0 0.0 3.53 1076 957 A 13 VAL HA A 62 LEU HD2% 1.0 0.0 5.02 1077 958 A 53 ILE HA A 62 LEU HD2% 1.0 0.0 5.17 1078 959 A 62 LEU HD2% A 74 PHE HB3 1.0 0.0 4.61 1079 960 A 56 LEU HB2 A 62 LEU HD2% 1.0 0.0 4.64 1080 961 A 62 LEU HD2% A 62 LEU HB2 1.0 0.0 3.51 1081 961 A 62 LEU HB3 A 62 LEU HD2% 1.0 0.0 3.51 1082 962 A 56 LEU HB3 A 62 LEU HD2% 1.0 0.0 4.39 1083 963 A 61 THR HG2% A 62 LEU HD2% 1.0 0.0 4.57 1084 964 A 13 VAL HG2% A 62 LEU HD2% 1.0 0.0 4.36 1085 965 A 16 ILE HG2% A 62 LEU HD2% 1.0 0.0 4.83 1086 966 A 74 PHE HB3 A 62 LEU HB2 1.0 0.0 4.83 1087 966 A 62 LEU HB3 A 74 PHE HB3 1.0 0.0 4.83 1088 967 A 57 VAL HG2% A 62 LEU HB2 1.0 0.0 3.90 1089 967 A 62 LEU HB3 A 57 VAL HG2% 1.0 0.0 3.90 1090 968 A 62 LEU HG A 62 LEU HA 1.0 0.0 4.35 1091 969 A 62 LEU HA A 63 LEU HD1% 1.0 0.0 5.41 1092 970 A 62 LEU HA A 76 LEU HD2% 1.0 0.0 5.68 1093 971 A 56 LEU H A 62 LEU HD1% 1.0 0.0 5.31 1094 972 A 62 LEU HD1% A 62 LEU HA 1.0 0.0 4.66 1095 973 A 57 VAL HA A 62 LEU HD1% 1.0 0.0 5.29 1096 974 A 62 LEU HD1% A 76 LEU HA 1.0 0.0 5.78 1097 975 A 62 LEU HD1% A 74 PHE HB3 1.0 0.0 4.38 1098 976 A 56 LEU HB2 A 62 LEU HD1% 1.0 0.0 3.93 1099 977 A 62 LEU HD1% A 62 LEU HB2 1.0 0.0 3.40 1100 977 A 62 LEU HB3 A 62 LEU HD1% 1.0 0.0 3.40 1101 978 A 56 LEU HB3 A 62 LEU HD1% 1.0 0.0 4.01 1102 979 A 57 VAL HG2% A 62 LEU HD1% 1.0 0.0 3.73 1103 980 A 63 LEU HD2% A 77 ASN HD2y 1.0 0.0 4.62 1104 981 A 63 LEU HD2% A 63 LEU HA 1.0 0.0 3.45 1105 982 A 63 LEU H A 63 LEU HG 1.0 0.0 4.50 1106 983 A 63 LEU HG A 77 ASN HA 1.0 0.0 4.61 1107 984 A 62 LEU HA A 63 LEU HB2 1.0 0.0 5.52 1108 984 A 62 LEU HA A 63 LEU HB3 1.0 0.0 5.52 1109 985 A 63 LEU HD1% A 64 GLN H 1.0 0.0 5.78 1110 986 A 63 LEU HD1% A 76 LEU H 1.0 0.0 5.78 1111 987 A 63 LEU HD1% A 63 LEU HB2 1.0 0.0 3.29 1112 987 A 63 LEU HB3 A 63 LEU HD1% 1.0 0.0 3.29 1113 988 A 74 PHE HD% A 64 GLN HA 1.0 0.0 4.07 1114 989 A 57 VAL HG2% A 64 GLN HBx 1.0 0.0 5.78 1115 990 A 64 GLN H A 64 GLN HGx 1.0 0.0 5.26 1116 991 A 65 VAL H A 64 GLN HGx 1.0 0.0 5.19 1117 992 A 64 GLN H A 64 GLN HGy 1.0 0.0 5.26 1118 993 A 65 VAL H A 64 GLN HGy 1.0 0.0 5.19 1119 994 A 65 VAL H A 65 VAL HG2% 1.0 0.0 3.54 1120 995 A 74 PHE HA A 65 VAL HG2% 1.0 0.0 4.42 1121 996 A 65 VAL HG2% A 23 ASN HA 1.0 0.0 4.88 1122 997 A 64 GLN HA A 65 VAL HG2% 1.0 0.0 4.63 1123 998 A 65 VAL HA A 65 VAL HG2% 1.0 0.0 3.51 1124 999 A 24 GLY HA3 A 65 VAL HG2% 1.0 0.0 4.33 1125 1000 A 65 VAL HG2% A 73 SER HBx 1.0 0.0 4.48 1126 1001 A 65 VAL HG2% A 75 LYS HEx 1.0 0.0 4.69 1127 1002 A 65 VAL HG2% A 75 LYS HD2 1.0 0.0 3.63 1128 1002 A 65 VAL HG2% A 75 LYS HD3 1.0 0.0 3.63 1129 1003 A 65 VAL HG2% A 75 LYS HGy 1.0 0.0 4.05 1130 1004 A 65 VAL HG2% A 75 LYS HGx 1.0 0.0 4.05 1131 1005 A 65 VAL HB A 73 SER HBx 1.0 0.0 4.68 1132 1006 A 80 LYS H A 78 ARG HA 1.0 0.0 4.88 1133 1007 A 54 LYS HB3 A 54 LYS HE2 1.0 0.0 4.22 1134 1007 A 54 LYS HB2 A 54 LYS HE2 1.0 0.0 4.22 1135 1007 A 54 LYS HE3 A 54 LYS HB2 1.0 0.0 4.22 1136 1007 A 54 LYS HB3 A 54 LYS HE3 1.0 0.0 4.22 1137 1008 A 66 LYS HD2 A 66 LYS HG2 1.0 0.0 3.10 1138 1008 A 66 LYS HD3 A 66 LYS HG2 1.0 0.0 3.10 1139 1008 A 66 LYS HG3 A 66 LYS HD2 1.0 0.0 3.10 1140 1008 A 66 LYS HG3 A 66 LYS HD3 1.0 0.0 3.10 1141 1009 A 68 THR HG2% A 67 GLY HA2 1.0 0.0 5.01 1142 1009 A 68 THR HG2% A 67 GLY HA3 1.0 0.0 5.01 1143 1010 A 65 VAL HB A 68 THR HG2% 1.0 0.0 4.54 1144 1011 A 68 THR HA A 67 GLY HA2 1.0 0.0 4.71 1145 1011 A 67 GLY HA3 A 68 THR HA 1.0 0.0 4.71 1146 1012 A 68 THR HG2% A 68 THR HA 1.0 0.0 3.50 1147 1013 A 74 PHE HE% A 72 GLY HAx 1.0 0.0 5.33 1148 1014 A 25 SER H A 73 SER HBx 1.0 0.0 5.42 1149 1015 A 24 GLY HA3 A 73 SER HBx 1.0 0.0 4.22 1150 1016 A 25 SER H A 73 SER HBy 1.0 0.0 5.42 1151 1017 A 24 GLY HA3 A 73 SER HBy 1.0 0.0 4.22 1152 1018 A 65 VAL HB A 73 SER HBy 1.0 0.0 4.68 1153 1019 A 65 VAL HG1% A 73 SER HBy 1.0 0.0 5.42 1154 1020 A 65 VAL HG2% A 73 SER HBy 1.0 0.0 4.48 1155 1021 A 74 PHE HD% A 73 SER HA 1.0 0.0 4.73 1156 1022 A 26 SER HA A 73 SER HA 1.0 0.0 3.60 1157 1023 A 74 PHE HA A 64 GLN HA 1.0 0.0 3.90 1158 1024 A 16 ILE HD1% A 74 PHE HA 1.0 0.0 5.78 1159 1025 A 74 PHE HA A 62 LEU HD2% 1.0 0.0 5.78 1160 1026 A 65 VAL HG2% A 75 LYS HBy 1.0 0.0 5.20 1161 1027 A 27 LEU HD2% A 50 LYS HD2 1.0 0.0 4.38 1162 1027 A 27 LEU HD2% A 50 LYS HD3 1.0 0.0 4.38 1163 1028 A 24 GLY HA2 A 75 LYS HBx 1.0 0.0 5.07 1164 1029 A 24 GLY HA3 A 75 LYS HBx 1.0 0.0 5.42 1165 1030 A 65 VAL HG2% A 75 LYS HBx 1.0 0.0 5.20 1166 1031 A 23 ASN HA A 75 LYS HEy 1.0 0.0 5.78 1167 1032 A 63 LEU HD1% A 75 LYS HEy 1.0 0.0 5.23 1168 1033 A 76 LEU HG A 75 LYS HA 1.0 0.0 5.35 1169 1034 A 16 ILE HD1% A 76 LEU HG 1.0 0.0 4.79 1170 1035 A 62 LEU HA A 76 LEU HA 1.0 0.0 3.92 1171 1036 A 81 LEU HG A 81 LEU HA 1.0 0.0 3.56 1172 1037 A 76 LEU HD1% A 76 LEU H 1.0 0.0 4.69 1173 1038 A 16 ILE H A 76 LEU HD1% 1.0 0.0 5.68 1174 1039 A 76 LEU HD1% A 77 ASN H 1.0 0.0 5.78 1175 1040 A 76 LEU HD1% A 76 LEU HA 1.0 0.0 4.61 1176 1041 A 76 LEU HD1% A 17 ARG HA 1.0 0.0 3.94 1177 1042 A 13 VAL HA A 76 LEU HD1% 1.0 0.0 4.82 1178 1043 A 76 LEU HD1% A 17 ARG HD2 1.0 0.0 4.35 1179 1043 A 76 LEU HD1% A 17 ARG HD3 1.0 0.0 4.35 1180 1044 A 13 VAL HB A 76 LEU HD1% 1.0 0.0 5.37 1181 1045 A 76 LEU HD1% A 17 ARG HB2 1.0 0.0 3.58 1182 1045 A 17 ARG HB3 A 76 LEU HD1% 1.0 0.0 3.58 1183 1046 A 76 LEU HD1% A 76 LEU HB2 1.0 0.0 3.44 1184 1047 A 76 LEU HD1% A 76 LEU HB3 1.0 0.0 3.65 1185 1048 A 63 LEU HG A 77 ASN HBx 1.0 0.0 4.76 1186 1049 A 63 LEU HD1% A 77 ASN HA 1.0 0.0 3.90 1187 1050 A 81 LEU HD1% A 79 LYS HA 1.0 0.0 4.81 1188 1051 A 79 LYS HA A 79 LYS HD2 1.0 0.0 4.96 1189 1051 A 79 LYS HA A 79 LYS HD3 1.0 0.0 4.96 1190 1052 A 80 LYS HA A 80 LYS HD2 1.0 0.0 3.99 1191 1052 A 80 LYS HA A 80 LYS HD3 1.0 0.0 3.99 1192 1053 A 79 LYS HA A 81 LEU HBx 1.0 0.0 5.09 1193 1054 A 79 LYS HA A 81 LEU HBy 1.0 0.0 5.09 1194 1055 A 82 GLU HG3 A 82 GLU HBy 1.0 0.0 3.10 1195 1055 A 82 GLU HBy A 82 GLU HG2 1.0 0.0 3.10 1196 1056 A 82 GLU HA A 82 GLU HG2 1.0 0.0 4.41 1197 1056 A 82 GLU HG3 A 82 GLU HA 1.0 0.0 4.41 1198 1057 A 5 PRO HDy A 4 GLN HBx 1.0 0.0 5.78 1199 1058 A 7 LYS HA A 10 GLN HB2 1.0 0.0 4.38 1200 1058 A 10 GLN HB3 A 7 LYS HA 1.0 0.0 4.38 1201 1059 A 7 LYS HEy A 7 LYS HB2 1.0 0.0 4.99 1202 1059 A 7 LYS HB3 A 7 LYS HEy 1.0 0.0 4.99 1203 1060 A 12 VAL HG2% A 8 TYR HB3 1.0 0.0 5.76 1204 1061 A 8 TYR HB2 A 12 VAL HG2% 1.0 0.0 5.78 1205 1062 A 8 TYR HB2 A 48 TYR HB2 1.0 0.0 5.53 1206 1062 A 8 TYR HB2 A 48 TYR HB3 1.0 0.0 5.53 1207 1063 A 8 TYR HB2 A 49 LEU HA 1.0 0.0 5.78 1208 1064 A 12 VAL H A 9 SER HA 1.0 0.0 5.07 1209 1065 A 7 LYS HB3 A 10 GLN HB2 1.0 0.0 4.80 1210 1065 A 7 LYS HB2 A 10 GLN HB2 1.0 0.0 4.80 1211 1065 A 10 GLN HB3 A 7 LYS HB2 1.0 0.0 4.80 1212 1065 A 10 GLN HB3 A 7 LYS HB3 1.0 0.0 4.80 1213 1066 A 10 GLN HA A 10 GLN HGy 1.0 0.0 4.33 1214 1067 A 15 THR H A 11 LEU HA 1.0 0.0 5.78 1215 1068 A 11 LEU HG A 37 VAL HG2% 1.0 0.0 5.42 1216 1069 A 39 TRP HH2 A 11 LEU HD1% 1.0 0.0 5.11 1217 1070 A 11 LEU HD1% A 40 PHE HE% 1.0 0.0 5.52 1218 1071 A 13 VAL H A 76 LEU HD2% 1.0 0.0 5.71 1219 1072 A 11 LEU HB2 A 11 LEU HD2% 1.0 0.0 3.93 1220 1073 A 11 LEU HD2% A 11 LEU HA 1.0 0.0 5.78 1221 1074 A 11 LEU HG A 12 VAL HA 1.0 0.0 5.74 1222 1075 A 19 LEU HB3 A 19 LEU HD2% 1.0 0.0 3.54 1223 1076 A 12 VAL HB A 13 VAL HA 1.0 0.0 5.52 1224 1077 A 13 VAL HG1% A 14 GLU HGx 1.0 0.0 5.31 1225 1078 A 13 VAL HG1% A 15 THR H 1.0 0.0 5.74 1226 1079 A 13 VAL HG1% A 16 ILE H 1.0 0.0 5.78 1227 1080 A 13 VAL HG1% A 17 ARG H 1.0 0.0 5.44 1228 1081 A 14 GLU HA A 17 ARG HD2 1.0 0.0 4.66 1229 1081 A 14 GLU HA A 17 ARG HD3 1.0 0.0 4.66 1230 1082 A 18 ARG H A 14 GLU HA 1.0 0.0 5.33 1231 1083 A 11 LEU HA A 14 GLU HBy 1.0 0.0 4.91 1232 1084 A 13 VAL HG1% A 14 GLU HGy 1.0 0.0 5.31 1233 1085 A 15 THR HA A 12 VAL HA 1.0 0.0 5.28 1234 1086 A 15 THR HG2% A 12 VAL HA 1.0 0.0 5.78 1235 1087 A 15 THR HG2% A 34 ALA HA 1.0 0.0 5.35 1236 1088 A 16 ILE HA A 19 LEU HB2 1.0 0.0 4.53 1237 1089 A 16 ILE HG2% A 76 LEU HA 1.0 0.0 5.49 1238 1090 A 16 ILE HD1% A 53 ILE HG12 1.0 0.0 5.37 1239 1091 A 12 VAL HG2% A 16 ILE HD1% 1.0 0.0 4.80 1240 1092 A 16 ILE HD1% A 74 PHE HB3 1.0 0.0 4.40 1241 1093 A 16 ILE HD1% A 16 ILE HA 1.0 0.0 4.42 1242 1094 A 16 ILE HD1% A 25 SER H 1.0 0.0 5.51 1243 1095 A 16 ILE HG2% A 17 ARG HA 1.0 0.0 5.03 1244 1096 A 15 THR HA A 18 ARG HGx 1.0 0.0 5.78 1245 1097 A 15 THR HA A 18 ARG HGy 1.0 0.0 5.78 1246 1098 A 19 LEU HD1% A 29 LYS HGx 1.0 0.0 4.34 1247 1099 A 19 LEU HD1% A 19 LEU HB2 1.0 0.0 3.56 1248 1100 A 19 LEU HD1% A 19 LEU HA 1.0 0.0 5.18 1249 1101 A 19 LEU HB2 A 25 SER HG 1.0 0.0 5.69 1250 1102 A 19 LEU HD2% A 19 LEU HB2 1.0 0.0 3.81 1251 1103 A 19 LEU HD2% A 33 GLU HG2 1.0 0.0 4.47 1252 1104 A 25 SER HG A 21 GLU HBx 1.0 0.0 5.63 1253 1105 A 25 SER HG A 21 GLU HBy 1.0 0.0 5.63 1254 1106 A 30 ILE HD1% A 25 SER HA 1.0 0.0 5.21 1255 1107 A 27 LEU HG A 27 LEU HA 1.0 0.0 4.48 1256 1108 A 27 LEU HG A 53 ILE HD1% 1.0 0.0 5.39 1257 1109 A 74 PHE HE% A 27 LEU HG 1.0 0.0 5.69 1258 1110 A 27 LEU H A 27 LEU HG 1.0 0.0 5.54 1259 1111 A 27 LEU HD1% A 31 TYR HB2 1.0 0.0 4.83 1260 1112 A 76 LEU HD2% A 17 ARG HD2 1.0 0.0 5.78 1261 1112 A 76 LEU HD2% A 17 ARG HD3 1.0 0.0 5.78 1262 1113 A 27 LEU HD1% A 31 TYR HB3 1.0 0.0 5.78 1263 1114 A 27 LEU HD2% A 27 LEU HBx 1.0 0.0 3.69 1264 1115 A 28 ALA HA A 32 THR H 1.0 0.0 5.68 1265 1116 A 28 ALA HB% A 29 LYS HA 1.0 0.0 4.53 1266 1117 A 66 LYS HE3 A 66 LYS HG2 1.0 0.0 3.78 1267 1117 A 66 LYS HE2 A 66 LYS HG2 1.0 0.0 3.78 1268 1117 A 66 LYS HG3 A 66 LYS HE2 1.0 0.0 3.78 1269 1117 A 66 LYS HG3 A 66 LYS HE3 1.0 0.0 3.78 1270 1118 A 30 ILE HA A 30 ILE HG1x 1.0 0.0 4.24 1271 1119 A 34 ALA H A 30 ILE HA 1.0 0.0 5.69 1272 1120 A 30 ILE H A 30 ILE HG1y 1.0 0.0 4.27 1273 1121 A 12 VAL HB A 30 ILE HG2% 1.0 0.0 5.75 1274 1122 A 30 ILE HG2% A 49 LEU HG 1.0 0.0 5.78 1275 1123 A 30 ILE HG2% A 34 ALA H 1.0 0.0 5.44 1276 1124 A 15 THR HG2% A 30 ILE HD1% 1.0 0.0 5.01 1277 1125 A 30 ILE HD1% A 53 ILE HG13 1.0 0.0 5.16 1278 1126 A 30 ILE HD1% A 74 PHE HB3 1.0 0.0 5.33 1279 1127 A 31 TYR HB2 A 34 ALA HB% 1.0 0.0 5.48 1280 1128 A 32 THR HA A 35 LYS HD2 1.0 0.0 4.61 1281 1129 A 32 THR HA A 35 LYS HEy 1.0 0.0 4.79 1282 1130 A 56 LEU HB3 A 61 THR HB 1.0 0.0 3.83 1283 1131 A 32 THR HG2% A 36 LYS HE2 1.0 0.0 4.91 1284 1131 A 32 THR HG2% A 36 LYS HE3 1.0 0.0 4.91 1285 1132 A 32 THR HG2% A 33 GLU HA 1.0 0.0 5.61 1286 1133 A 33 GLU HG2 A 33 GLU HA 1.0 0.0 4.35 1287 1134 A 36 LYS H A 33 GLU HA 1.0 0.0 5.35 1288 1135 A 19 LEU HD1% A 33 GLU HB2 1.0 0.0 4.66 1289 1135 A 19 LEU HD1% A 33 GLU HB3 1.0 0.0 4.66 1290 1136 A 19 LEU HD2% A 33 GLU HB2 1.0 0.0 4.97 1291 1136 A 19 LEU HD2% A 33 GLU HB3 1.0 0.0 4.97 1292 1137 A 11 LEU HG A 34 ALA HA 1.0 0.0 5.41 1293 1138 A 34 ALA HA A 33 GLU HB2 1.0 0.0 5.30 1294 1138 A 33 GLU HB3 A 34 ALA HA 1.0 0.0 5.30 1295 1139 A 11 LEU HG A 34 ALA HB% 1.0 0.0 4.11 1296 1140 A 15 THR HG1 A 34 ALA HB% 1.0 0.0 5.51 1297 1141 A 35 LYS HA A 42 GLN HE21 1.0 0.0 5.65 1298 1142 A 35 LYS HB2 A 40 PHE HD% 1.0 0.0 5.78 1299 1143 A 36 LYS H A 35 LYS HG3 1.0 0.0 5.27 1300 1144 A 36 LYS H A 35 LYS HG2 1.0 0.0 5.63 1301 1145 A 35 LYS H A 35 LYS HD2 1.0 0.0 5.53 1302 1146 A 32 THR HA A 35 LYS HEx 1.0 0.0 4.79 1303 1147 A 36 LYS HA A 36 LYS HD2 1.0 0.0 5.40 1304 1147 A 36 LYS HD3 A 36 LYS HA 1.0 0.0 5.40 1305 1148 A 36 LYS HG3 A 36 LYS HE2 1.0 0.0 4.01 1306 1148 A 36 LYS HG3 A 36 LYS HE3 1.0 0.0 4.01 1307 1149 A 36 LYS H A 36 LYS HE2 1.0 0.0 5.64 1308 1149 A 36 LYS H A 36 LYS HE3 1.0 0.0 5.64 1309 1150 A 51 TYR HE% A 50 LYS HE2 1.0 0.0 5.78 1310 1150 A 50 LYS HE3 A 51 TYR HE% 1.0 0.0 5.78 1311 1151 A 11 LEU HD2% A 37 VAL HB 1.0 0.0 5.78 1312 1152 A 11 LEU HD1% A 37 VAL HG1% 1.0 0.0 3.62 1313 1153 A 37 VAL HG1% A 38 PRO HG2 1.0 0.0 5.52 1314 1153 A 37 VAL HG1% A 38 PRO HG3 1.0 0.0 5.52 1315 1154 A 37 VAL HG1% A 40 PHE HB2 1.0 0.0 5.32 1316 1155 A 40 PHE H A 38 PRO HA 1.0 0.0 5.24 1317 1156 A 37 VAL HG2% A 38 PRO HD2 1.0 0.0 4.89 1318 1157 A 41 ASP HB3 A 45 GLY HA2 1.0 0.0 5.61 1319 1158 A 41 ASP HB3 A 48 TYR HD% 1.0 0.0 5.70 1320 1159 A 42 GLN HB3 A 43 GLN H 1.0 0.0 5.67 1321 1160 A 42 GLN HG2 A 43 GLN HG2 1.0 0.0 5.57 1322 1160 A 42 GLN HG2 A 43 GLN HG3 1.0 0.0 5.57 1323 1161 A 42 GLN HG3 A 43 GLN HG2 1.0 0.0 5.78 1324 1161 A 43 GLN HG3 A 42 GLN HG3 1.0 0.0 5.78 1325 1162 A 40 PHE HD% A 42 GLN HG2 1.0 0.0 5.78 1326 1163 A 45 GLY HA3 A 48 TYR HB2 1.0 0.0 5.11 1327 1163 A 48 TYR HB3 A 45 GLY HA3 1.0 0.0 5.11 1328 1164 A 49 LEU HG A 45 GLY HA3 1.0 0.0 5.78 1329 1165 A 27 LEU HD1% A 46 ARG HA 1.0 0.0 5.78 1330 1166 A 27 LEU HD1% A 46 ARG HDx 1.0 0.0 5.78 1331 1167 A 27 LEU HD2% A 46 ARG HDx 1.0 0.0 5.78 1332 1168 A 27 LEU HD1% A 46 ARG HDy 1.0 0.0 5.78 1333 1169 A 27 LEU HD2% A 46 ARG HDy 1.0 0.0 5.78 1334 1170 A 47 THR HB A 44 ASN HBx 1.0 0.0 5.65 1335 1171 A 47 THR HB A 44 ASN HBy 1.0 0.0 5.65 1336 1172 A 47 THR HB A 48 TYR HD% 1.0 0.0 5.49 1337 1173 A 47 THR HG2% A 51 TYR HB2 1.0 0.0 5.69 1338 1173 A 51 TYR HB3 A 47 THR HG2% 1.0 0.0 5.69 1339 1174 A 8 TYR HB3 A 48 TYR HB2 1.0 0.0 5.31 1340 1174 A 48 TYR HB3 A 8 TYR HB3 1.0 0.0 5.31 1341 1175 A 12 VAL HG2% A 49 LEU HA 1.0 0.0 4.40 1342 1176 A 49 LEU HD1% A 49 LEU HA 1.0 0.0 4.90 1343 1177 A 8 TYR HB3 A 49 LEU HA 1.0 0.0 5.28 1344 1178 A 8 TYR HD% A 49 LEU HA 1.0 0.0 5.15 1345 1179 A 52 SER H A 49 LEU HA 1.0 0.0 5.25 1346 1180 A 49 LEU HD1% A 49 LEU HB2 1.0 0.0 3.74 1347 1181 A 11 LEU HB3 A 49 LEU HD2% 1.0 0.0 4.61 1348 1182 A 49 LEU HD2% A 31 TYR HB2 1.0 0.0 5.78 1349 1183 A 51 TYR HD% A 50 LYS HB2 1.0 0.0 5.18 1350 1183 A 50 LYS HB3 A 51 TYR HD% 1.0 0.0 5.18 1351 1184 A 50 LYS HA A 50 LYS HD2 1.0 0.0 5.34 1352 1184 A 50 LYS HA A 50 LYS HD3 1.0 0.0 5.34 1353 1185 A 50 LYS H A 50 LYS HD2 1.0 0.0 5.32 1354 1185 A 50 LYS H A 50 LYS HD3 1.0 0.0 5.32 1355 1186 A 47 THR HG2% A 50 LYS HE2 1.0 0.0 5.44 1356 1186 A 47 THR HG2% A 50 LYS HE3 1.0 0.0 5.44 1357 1187 A 47 THR HA A 50 LYS HE2 1.0 0.0 5.49 1358 1187 A 47 THR HA A 50 LYS HE3 1.0 0.0 5.49 1359 1188 A 50 LYS HB2 A 51 TYR HB2 1.0 0.0 5.42 1360 1188 A 50 LYS HB3 A 51 TYR HB2 1.0 0.0 5.42 1361 1188 A 51 TYR HB3 A 50 LYS HB2 1.0 0.0 5.42 1362 1188 A 51 TYR HB3 A 50 LYS HB3 1.0 0.0 5.42 1363 1189 A 51 TYR HB2 A 54 LYS HB2 1.0 0.0 5.78 1364 1189 A 51 TYR HB3 A 54 LYS HB2 1.0 0.0 5.78 1365 1189 A 54 LYS HB3 A 51 TYR HB2 1.0 0.0 5.78 1366 1189 A 51 TYR HB3 A 54 LYS HB3 1.0 0.0 5.78 1367 1190 A 56 LEU HB3 A 53 ILE HA 1.0 0.0 4.92 1368 1191 A 12 VAL HG1% A 53 ILE HG2% 1.0 0.0 4.70 1369 1192 A 30 ILE HD1% A 53 ILE HG2% 1.0 0.0 4.92 1370 1193 A 53 ILE HG2% A 53 ILE HG13 1.0 0.0 4.30 1371 1194 A 53 ILE HG2% A 54 LYS HB2 1.0 0.0 5.41 1372 1194 A 54 LYS HB3 A 53 ILE HG2% 1.0 0.0 5.41 1373 1195 A 53 ILE HG2% A 56 LEU HB2 1.0 0.0 5.47 1374 1196 A 53 ILE HG2% A 50 LYS HA 1.0 0.0 5.20 1375 1197 A 49 LEU HD2% A 53 ILE HD1% 1.0 0.0 4.60 1376 1198 A 53 ILE HB A 53 ILE HD1% 1.0 0.0 3.57 1377 1199 A 49 LEU HB2 A 53 ILE HD1% 1.0 0.0 5.29 1378 1200 A 54 LYS HA A 54 LYS HD2 1.0 0.0 5.03 1379 1200 A 54 LYS HA A 54 LYS HD3 1.0 0.0 5.03 1380 1201 A 55 ALA H A 54 LYS HGy 1.0 0.0 5.78 1381 1202 A 55 ALA HA A 58 GLN HBy 1.0 0.0 4.12 1382 1203 A 55 ALA HA A 58 GLN HGy 1.0 0.0 5.49 1383 1204 A 55 ALA HB% A 54 LYS HB2 1.0 0.0 4.35 1384 1204 A 54 LYS HB3 A 55 ALA HB% 1.0 0.0 4.35 1385 1205 A 55 ALA HB% A 52 SER HBx 1.0 0.0 5.46 1386 1206 A 55 ALA HB% A 56 LEU HG 1.0 0.0 5.24 1387 1207 A 56 LEU HD1% A 52 SER HBy 1.0 0.0 5.29 1388 1208 A 56 LEU HD2% A 9 SER HBy 1.0 0.0 4.25 1389 1209 A 81 LEU HD2% A 81 LEU HA 1.0 0.0 3.72 1390 1210 A 56 LEU HD2% A 61 THR HB 1.0 0.0 3.60 1391 1211 A 57 VAL HA A 60 ASP H 1.0 0.0 5.20 1392 1212 A 65 VAL HG1% A 68 THR HG2% 1.0 0.0 4.43 1393 1213 A 65 VAL HG1% A 73 SER HBx 1.0 0.0 5.42 1394 1214 A 57 VAL HG2% A 63 LEU HA 1.0 0.0 5.25 1395 1215 A 57 VAL HG2% A 64 GLN H 1.0 0.0 5.53 1396 1216 A 55 ALA HB% A 58 GLN HBx 1.0 0.0 5.26 1397 1217 A 56 LEU HD2% A 61 THR HA 1.0 0.0 5.61 1398 1218 A 61 THR HG2% A 62 LEU HA 1.0 0.0 5.39 1399 1219 A 56 LEU HB2 A 62 LEU HB2 1.0 0.0 5.18 1400 1219 A 62 LEU HB3 A 56 LEU HB2 1.0 0.0 5.18 1401 1220 A 57 VAL HA A 62 LEU HG 1.0 0.0 5.78 1402 1221 A 62 LEU HG A 76 LEU HA 1.0 0.0 5.78 1403 1222 A 62 LEU HD1% A 53 ILE HG13 1.0 0.0 4.89 1404 1223 A 74 PHE HB2 A 62 LEU HD1% 1.0 0.0 4.90 1405 1224 A 53 ILE HG2% A 62 LEU HD2% 1.0 0.0 4.70 1406 1225 A 74 PHE HB2 A 62 LEU HD2% 1.0 0.0 5.16 1407 1226 A 74 PHE HD% A 62 LEU HD2% 1.0 0.0 5.42 1408 1227 A 65 VAL HG2% A 63 LEU HB2 1.0 0.0 5.19 1409 1227 A 63 LEU HB3 A 65 VAL HG2% 1.0 0.0 5.19 1410 1228 A 62 LEU HA A 63 LEU HG 1.0 0.0 5.52 1411 1229 A 63 LEU HD1% A 77 ASN HBx 1.0 0.0 5.18 1412 1230 A 63 LEU HD1% A 75 LYS HEx 1.0 0.0 5.23 1413 1231 A 63 LEU HD2% A 63 LEU HB2 1.0 0.0 3.51 1414 1231 A 63 LEU HB3 A 63 LEU HD2% 1.0 0.0 3.51 1415 1232 A 57 VAL HG1% A 64 GLN HGx 1.0 0.0 5.78 1416 1233 A 65 VAL HG2% A 75 LYS HEy 1.0 0.0 4.69 1417 1234 A 65 VAL HG1% A 66 LYS HA 1.0 0.0 5.68 1418 1235 A 66 LYS HA A 66 LYS HD2 1.0 0.0 5.28 1419 1235 A 66 LYS HA A 66 LYS HD3 1.0 0.0 5.28 1420 1236 A 53 ILE HG2% A 57 VAL HG1% 1.0 0.0 5.40 1421 1237 A 57 VAL HG1% A 64 GLN HGy 1.0 0.0 5.78 1422 1238 A 54 LYS HA A 57 VAL HG1% 1.0 0.0 5.01 1423 1239 A 57 VAL HG1% A 58 GLN HA 1.0 0.0 4.30 1424 1240 A 57 VAL HG1% A 63 LEU HA 1.0 0.0 5.50 1425 1241 A 57 VAL HG1% A 64 GLN HE2y 1.0 0.0 5.78 1426 1242 A 74 PHE HE% A 57 VAL HG1% 1.0 0.0 5.78 1427 1243 A 57 VAL H A 57 VAL HG1% 1.0 0.0 4.57 1428 1244 A 73 SER H A 68 THR HG2% 1.0 0.0 5.61 1429 1245 A 70 ALA HB% A 71 ASN H 1.0 0.0 5.65 1430 1246 A 74 PHE HE% A 72 GLY HAy 1.0 0.0 5.33 1431 1247 A 24 GLY HA2 A 73 SER HBy 1.0 0.0 5.29 1432 1248 A 74 PHE HA A 62 LEU HB2 1.0 0.0 5.75 1433 1248 A 62 LEU HB3 A 74 PHE HA 1.0 0.0 5.75 1434 1249 A 74 PHE HA A 63 LEU HB2 1.0 0.0 5.78 1435 1249 A 74 PHE HA A 63 LEU HB3 1.0 0.0 5.78 1436 1250 A 74 PHE HA A 75 LYS HA 1.0 0.0 5.17 1437 1251 A 74 PHE HB2 A 62 LEU HB2 1.0 0.0 5.37 1438 1251 A 62 LEU HB3 A 74 PHE HB2 1.0 0.0 5.37 1439 1252 A 16 ILE HD1% A 75 LYS HA 1.0 0.0 4.86 1440 1253 A 63 LEU HD1% A 75 LYS HBx 1.0 0.0 5.52 1441 1254 A 63 LEU HD1% A 75 LYS HBy 1.0 0.0 5.52 1442 1255 A 23 ASN HA A 75 LYS HEx 1.0 0.0 5.78 1443 1256 A 76 LEU HG A 76 LEU HA 1.0 0.0 4.48 1444 1257 A 28 ALA HB% A 31 TYR HB3 1.0 0.0 5.60 1445 1258 A 78 ARG HA A 78 ARG HGy 1.0 0.0 4.34 1446 1259 A 78 ARG HA A 78 ARG HGx 1.0 0.0 4.34 1447 1260 A 63 LEU HG A 78 ARG H 1.0 0.0 5.78 1448 1261 A 19 LEU HB3 A 21 GLU HGy 1.0 0.0 4.67 1449 1262 A 55 ALA HA A 54 LYS HD2 1.0 0.0 5.78 1450 1262 A 55 ALA HA A 54 LYS HD3 1.0 0.0 5.78 1451 1263 A 8 TYR HD% A 48 TYR HB2 1.0 0.0 4.47 1452 1263 A 8 TYR HD% A 48 TYR HB3 1.0 0.0 4.47 1453 1264 A 8 TYR HD% A 49 LEU HD2% 1.0 0.0 3.82 1454 1265 A 8 TYR HD% A 11 LEU HD2% 1.0 0.0 4.64 1455 1266 A 48 TYR HD% A 8 TYR HE% 1.0 0.0 4.17 1456 1267 A 8 TYR HE% A 39 TRP HZ3 1.0 0.0 4.47 1457 1268 A 40 PHE HA A 8 TYR HE% 1.0 0.0 4.58 1458 1269 A 45 GLY HA2 A 8 TYR HE% 1.0 0.0 4.39 1459 1270 A 8 TYR HE% A 48 TYR HB2 1.0 0.0 4.19 1460 1270 A 48 TYR HB3 A 8 TYR HE% 1.0 0.0 4.19 1461 1271 A 49 LEU HD2% A 8 TYR HE% 1.0 0.0 4.30 1462 1272 A 11 LEU HD2% A 8 TYR HE% 1.0 0.0 4.50 1463 1273 A 31 TYR H A 31 TYR HD% 1.0 0.0 4.42 1464 1274 A 28 ALA HA A 31 TYR HD% 1.0 0.0 4.37 1465 1275 A 31 TYR HD% A 31 TYR HA 1.0 0.0 3.32 1466 1276 A 31 TYR HD% A 35 LYS HEy 1.0 0.0 5.78 1467 1277 A 31 TYR HD% A 46 ARG HDy 1.0 0.0 5.78 1468 1278 A 31 TYR HD% A 46 ARG HB2 1.0 0.0 4.54 1469 1279 A 31 TYR HD% A 46 ARG HGy 1.0 0.0 5.39 1470 1280 A 31 TYR HD% A 49 LEU HB3 1.0 0.0 5.70 1471 1281 A 49 LEU HD1% A 31 TYR HD% 1.0 0.0 3.26 1472 1282 A 40 PHE HE% A 31 TYR HE% 1.0 0.0 3.48 1473 1283 A 46 ARG HA A 31 TYR HE% 1.0 0.0 4.56 1474 1284 A 31 TYR HE% A 46 ARG HDy 1.0 0.0 5.05 1475 1285 A 31 TYR HE% A 46 ARG HDx 1.0 0.0 5.05 1476 1286 A 46 ARG HB3 A 31 TYR HE% 1.0 0.0 4.79 1477 1287 A 46 ARG HB2 A 31 TYR HE% 1.0 0.0 3.93 1478 1288 A 35 LYS HD3 A 31 TYR HE% 1.0 0.0 4.30 1479 1289 A 49 LEU HD1% A 31 TYR HE% 1.0 0.0 4.74 1480 1290 A 35 LYS HD2 A 31 TYR HE% 1.0 0.0 4.06 1481 1291 A 31 TYR HE% A 46 ARG HGx 1.0 0.0 4.92 1482 1292 A 35 LYS HB2 A 31 TYR HE% 1.0 0.0 4.98 1483 1293 A 35 LYS HG3 A 31 TYR HE% 1.0 0.0 5.65 1484 1294 A 39 TRP HZ2 A 11 LEU HB3 1.0 0.0 4.64 1485 1295 A 39 TRP HZ2 A 11 LEU HB2 1.0 0.0 4.05 1486 1296 A 39 TRP HZ2 A 7 LYS HB2 1.0 0.0 4.83 1487 1296 A 7 LYS HB3 A 39 TRP HZ2 1.0 0.0 4.83 1488 1297 A 39 TRP HZ2 A 11 LEU HD1% 1.0 0.0 3.80 1489 1298 A 39 TRP HZ2 A 37 VAL HG2% 1.0 0.0 4.63 1490 1299 A 39 TRP HZ2 A 37 VAL HG1% 1.0 0.0 4.33 1491 1300 A 39 TRP H A 39 TRP HD1 1.0 0.0 3.56 1492 1301 A 39 TRP HD1 A 39 TRP HA 1.0 0.0 5.06 1493 1302 A 38 PRO HD2 A 39 TRP HD1 1.0 0.0 3.82 1494 1303 A 39 TRP HD1 A 38 PRO HG2 1.0 0.0 4.03 1495 1303 A 38 PRO HG3 A 39 TRP HD1 1.0 0.0 4.03 1496 1304 A 37 VAL HG2% A 39 TRP HD1 1.0 0.0 5.23 1497 1305 A 39 TRP HH2 A 8 TYR HA 1.0 0.0 4.00 1498 1306 A 39 TRP HH2 A 11 LEU HB3 1.0 0.0 4.12 1499 1307 A 39 TRP HH2 A 11 LEU HB2 1.0 0.0 3.62 1500 1308 A 39 TRP HH2 A 7 LYS HB2 1.0 0.0 4.35 1501 1308 A 7 LYS HB3 A 39 TRP HH2 1.0 0.0 4.35 1502 1309 A 39 TRP HH2 A 7 LYS HG2 1.0 0.0 4.46 1503 1309 A 7 LYS HG3 A 39 TRP HH2 1.0 0.0 4.46 1504 1310 A 39 TRP HH2 A 11 LEU HD2% 1.0 0.0 3.66 1505 1311 A 40 PHE HA A 39 TRP HZ3 1.0 0.0 4.65 1506 1312 A 39 TRP HZ3 A 7 LYS HG2 1.0 0.0 4.84 1507 1312 A 7 LYS HG3 A 39 TRP HZ3 1.0 0.0 4.84 1508 1313 A 39 TRP HZ3 A 7 LYS HD2 1.0 0.0 5.50 1509 1313 A 7 LYS HD3 A 39 TRP HZ3 1.0 0.0 5.50 1510 1314 A 11 LEU HD2% A 39 TRP HZ3 1.0 0.0 4.75 1511 1315 A 39 TRP HE3 A 8 TYR HE% 1.0 0.0 4.63 1512 1316 A 39 TRP HE3 A 7 LYS HG2 1.0 0.0 5.58 1513 1316 A 7 LYS HG3 A 39 TRP HE3 1.0 0.0 5.58 1514 1317 A 39 TRP HE3 A 7 LYS HD2 1.0 0.0 5.78 1515 1317 A 7 LYS HD3 A 39 TRP HE3 1.0 0.0 5.78 1516 1318 A 40 PHE HD% A 42 GLN HE21 1.0 0.0 4.56 1517 1319 A 40 PHE HD% A 41 ASP H 1.0 0.0 3.77 1518 1320 A 40 PHE HD% A 42 GLN HA 1.0 0.0 3.80 1519 1321 A 40 PHE HD% A 40 PHE HA 1.0 0.0 3.70 1520 1322 A 35 LYS HB3 A 40 PHE HD% 1.0 0.0 4.58 1521 1323 A 34 ALA HB% A 40 PHE HD% 1.0 0.0 3.99 1522 1324 A 11 LEU HD2% A 40 PHE HD% 1.0 0.0 3.40 1523 1325 A 37 VAL HG2% A 40 PHE HD% 1.0 0.0 4.17 1524 1326 A 37 VAL HG1% A 40 PHE HD% 1.0 0.0 5.25 1525 1327 A 40 PHE HE% A 42 GLN HA 1.0 0.0 4.03 1526 1328 A 35 LYS HA A 40 PHE HE% 1.0 0.0 4.47 1527 1329 A 40 PHE HE% A 49 LEU HG 1.0 0.0 3.95 1528 1330 A 35 LYS HB3 A 40 PHE HE% 1.0 0.0 4.96 1529 1331 A 34 ALA HB% A 40 PHE HE% 1.0 0.0 3.68 1530 1332 A 49 LEU HD2% A 40 PHE HE% 1.0 0.0 4.16 1531 1333 A 11 LEU HD2% A 40 PHE HE% 1.0 0.0 3.85 1532 1334 A 40 PHE HZ A 46 ARG HA 1.0 0.0 4.53 1533 1335 A 40 PHE HZ A 45 GLY HA3 1.0 0.0 4.56 1534 1336 A 40 PHE HZ A 49 LEU HG 1.0 0.0 4.79 1535 1337 A 49 LEU HD1% A 40 PHE HZ 1.0 0.0 3.69 1536 1338 A 11 LEU HD2% A 40 PHE HZ 1.0 0.0 4.94 1537 1339 A 41 ASP H A 48 TYR HD% 1.0 0.0 5.17 1538 1340 A 48 TYR HD% A 48 TYR HA 1.0 0.0 3.26 1539 1341 A 48 TYR HD% A 45 GLY HA3 1.0 0.0 4.74 1540 1342 A 48 TYR HD% A 45 GLY HA2 1.0 0.0 4.08 1541 1343 A 48 TYR HD% A 47 THR HG2% 1.0 0.0 4.23 1542 1344 A 41 ASP H A 48 TYR HE% 1.0 0.0 5.78 1543 1345 A 48 TYR HA A 48 TYR HE% 1.0 0.0 4.44 1544 1346 A 41 ASP HB2 A 48 TYR HE% 1.0 0.0 4.50 1545 1347 A 41 ASP HB3 A 48 TYR HE% 1.0 0.0 4.26 1546 1348 A 48 TYR HE% A 44 ASN HBx 1.0 0.0 4.19 1547 1349 A 47 THR HG2% A 48 TYR HE% 1.0 0.0 4.42 1548 1350 A 51 TYR H A 51 TYR HD% 1.0 0.0 4.22 1549 1351 A 51 TYR HA A 51 TYR HD% 1.0 0.0 3.52 1550 1352 A 51 TYR HD% A 54 LYS HB2 1.0 0.0 4.37 1551 1352 A 54 LYS HB3 A 51 TYR HD% 1.0 0.0 4.37 1552 1353 A 47 THR HG2% A 51 TYR HD% 1.0 0.0 4.06 1553 1354 A 51 TYR HE% A 54 LYS HB2 1.0 0.0 5.25 1554 1354 A 54 LYS HB3 A 51 TYR HE% 1.0 0.0 5.25 1555 1355 A 47 THR HG2% A 51 TYR HE% 1.0 0.0 3.72 1556 1356 A 74 PHE HD% A 74 PHE HA 1.0 0.0 4.11 1557 1357 A 74 PHE HD% A 62 LEU HB2 1.0 0.0 4.59 1558 1357 A 62 LEU HB3 A 74 PHE HD% 1.0 0.0 4.59 1559 1358 A 30 ILE HD1% A 74 PHE HD% 1.0 0.0 4.08 1560 1359 A 74 PHE HE% A 57 VAL HG2% 1.0 0.0 4.00 1561 1360 A 53 ILE HG2% A 74 PHE HZ 1.0 0.0 4.60 1562 1361 A 8 TYR HD% A 49 LEU HG 1.0 0.0 5.18 1563 1362 A 45 GLY HA3 A 8 TYR HE% 1.0 0.0 4.81 1564 1363 A 8 TYR HA A 8 TYR HE% 1.0 0.0 5.07 1565 1364 A 31 TYR HD% A 34 ALA HB% 1.0 0.0 4.92 1566 1365 A 31 TYR HD% A 35 LYS HD2 1.0 0.0 5.48 1567 1366 A 31 TYR HE% A 46 ARG HGy 1.0 0.0 4.92 1568 1367 A 31 TYR HA A 31 TYR HE% 1.0 0.0 5.12 1569 1368 A 46 ARG H A 31 TYR HE% 1.0 0.0 4.91 1570 1369 A 48 TYR HD% A 51 TYR HD% 1.0 0.0 5.04 1571 1370 A 48 TYR HE% A 44 ASN HBy 1.0 0.0 4.19 1572 1371 A 55 ALA HB% A 51 TYR HD% 1.0 0.0 5.20 1573 1372 A 51 TYR HD% A 54 LYS HD2 1.0 0.0 4.89 1574 1372 A 51 TYR HD% A 54 LYS HD3 1.0 0.0 4.89 1575 1373 A 55 ALA HB% A 51 TYR HE% 1.0 0.0 4.98 1576 1374 A 51 TYR HE% A 50 LYS HD2 1.0 0.0 5.18 1577 1374 A 50 LYS HD3 A 51 TYR HE% 1.0 0.0 5.18 1578 1375 A 39 TRP HZ3 A 7 LYS HB2 1.0 0.0 5.24 1579 1375 A 7 LYS HB3 A 39 TRP HZ3 1.0 0.0 5.24 1580 1376 A 49 LEU HD1% A 40 PHE HD% 1.0 0.0 4.78 1581 1377 A 37 VAL HB A 40 PHE HD% 1.0 0.0 5.20 1582 1378 A 35 LYS HA A 40 PHE HD% 1.0 0.0 3.73 1583 1379 A 49 LEU HD1% A 40 PHE HE% 1.0 0.0 3.69 1584 1380 A 49 LEU HB3 A 40 PHE HE% 1.0 0.0 5.78 1585 1381 A 34 ALA HB% A 40 PHE HZ 1.0 0.0 4.48 1586 1382 A 40 PHE HZ A 49 LEU HB2 1.0 0.0 5.10 1587 1383 A 40 PHE HZ A 45 GLY HA2 1.0 0.0 5.34 1588 1384 A 74 PHE HD% A 62 LEU HD1% 1.0 0.0 4.86 1589 1385 A 26 SER HA A 74 PHE HD% 1.0 0.0 5.41 1590 1386 A 27 LEU HD2% A 31 TYR HD% 1.0 0.0 5.78 1591 1387 A 31 TYR HD% A 35 LYS HB2 1.0 0.0 5.78 1592 1388 A 31 TYR HD% A 35 LYS HG3 1.0 0.0 5.78 1593 1389 A 4 GLN H A 3 MET HBx 1.0 0.0 4.65 1594 1389 A 4 GLN H A 3 MET HBy 1.0 0.0 4.65 1595 1390 A 4 GLN HA A 5 PRO HDx 1.0 0.0 3.13 1596 1390 A 4 GLN HA A 5 PRO HDy 1.0 0.0 3.13 1597 1391 A 4 GLN HBy A 5 PRO HDx 1.0 0.0 4.01 1598 1391 A 4 GLN HBx A 5 PRO HDx 1.0 0.0 4.01 1599 1391 A 5 PRO HDy A 4 GLN HBy 1.0 0.0 4.01 1600 1391 A 5 PRO HDy A 4 GLN HBx 1.0 0.0 4.01 1601 1392 A 4 GLN HG3 A 5 PRO HDx 1.0 0.0 5.49 1602 1392 A 4 GLN HG2 A 5 PRO HDx 1.0 0.0 5.49 1603 1392 A 5 PRO HDy A 4 GLN HG2 1.0 0.0 5.49 1604 1392 A 4 GLN HG3 A 5 PRO HDy 1.0 0.0 5.49 1605 1393 A 7 LYS HB2 A 7 LYS HEx 1.0 0.0 4.37 1606 1393 A 7 LYS HB3 A 7 LYS HEx 1.0 0.0 4.37 1607 1393 A 7 LYS HEy A 7 LYS HB2 1.0 0.0 4.37 1608 1393 A 7 LYS HB3 A 7 LYS HEy 1.0 0.0 4.37 1609 1394 A 39 TRP HZ3 A 7 LYS HEx 1.0 0.0 5.53 1610 1394 A 39 TRP HZ3 A 7 LYS HEy 1.0 0.0 5.53 1611 1395 A 8 TYR HB2 A 9 SER HBy 1.0 0.0 5.61 1612 1395 A 8 TYR HB2 A 9 SER HBx 1.0 0.0 5.61 1613 1396 A 8 TYR HB2 A 52 SER HBy 1.0 0.0 5.61 1614 1396 A 8 TYR HB2 A 52 SER HBx 1.0 0.0 5.61 1615 1397 A 8 TYR HB3 A 52 SER HBy 1.0 0.0 5.61 1616 1397 A 8 TYR HB3 A 52 SER HBx 1.0 0.0 5.61 1617 1398 A 9 SER H A 9 SER HBy 1.0 0.0 3.73 1618 1398 A 9 SER H A 9 SER HBx 1.0 0.0 3.73 1619 1399 A 56 LEU HD1% A 9 SER HBy 1.0 0.0 4.01 1620 1399 A 56 LEU HD1% A 9 SER HBx 1.0 0.0 4.01 1621 1400 A 10 GLN HA A 10 GLN HGy 1.0 0.0 3.72 1622 1400 A 10 GLN HA A 10 GLN HGx 1.0 0.0 3.72 1623 1401 A 11 LEU H A 10 GLN HGy 1.0 0.0 5.58 1624 1401 A 11 LEU H A 10 GLN HGx 1.0 0.0 5.58 1625 1402 A 11 LEU HA A 14 GLU HBy 1.0 0.0 4.19 1626 1402 A 11 LEU HA A 14 GLU HBx 1.0 0.0 4.19 1627 1403 A 11 LEU HA A 14 GLU HGy 1.0 0.0 5.53 1628 1403 A 11 LEU HA A 14 GLU HGx 1.0 0.0 5.53 1629 1404 A 11 LEU HD1% A 14 GLU HBy 1.0 0.0 5.06 1630 1404 A 11 LEU HD1% A 14 GLU HBx 1.0 0.0 5.06 1631 1405 A 12 VAL HA A 16 ILE HG1y 1.0 0.0 5.44 1632 1405 A 12 VAL HA A 16 ILE HG1x 1.0 0.0 5.44 1633 1406 A 12 VAL HG1% A 16 ILE HG1y 1.0 0.0 4.41 1634 1406 A 12 VAL HG1% A 16 ILE HG1x 1.0 0.0 4.41 1635 1407 A 12 VAL HG1% A 52 SER HBy 1.0 0.0 5.30 1636 1407 A 12 VAL HG1% A 52 SER HBx 1.0 0.0 5.30 1637 1408 A 12 VAL HG2% A 52 SER HBy 1.0 0.0 3.64 1638 1408 A 12 VAL HG2% A 52 SER HBx 1.0 0.0 3.64 1639 1409 A 13 VAL HA A 16 ILE HG1y 1.0 0.0 4.95 1640 1409 A 13 VAL HA A 16 ILE HG1x 1.0 0.0 4.95 1641 1410 A 13 VAL HG1% A 14 GLU HGy 1.0 0.0 4.47 1642 1410 A 13 VAL HG1% A 14 GLU HGx 1.0 0.0 4.47 1643 1411 A 14 GLU H A 14 GLU HBy 1.0 0.0 3.54 1644 1411 A 14 GLU H A 14 GLU HBx 1.0 0.0 3.54 1645 1412 A 14 GLU H A 14 GLU HGy 1.0 0.0 3.65 1646 1412 A 14 GLU H A 14 GLU HGx 1.0 0.0 3.65 1647 1413 A 14 GLU HA A 14 GLU HGy 1.0 0.0 3.93 1648 1413 A 14 GLU HA A 14 GLU HGx 1.0 0.0 3.93 1649 1414 A 15 THR HG1 A 14 GLU HBy 1.0 0.0 5.61 1650 1414 A 15 THR HG1 A 14 GLU HBx 1.0 0.0 5.61 1651 1415 A 15 THR H A 14 GLU HGy 1.0 0.0 4.99 1652 1415 A 15 THR H A 14 GLU HGx 1.0 0.0 4.99 1653 1416 A 15 THR HA A 18 ARG HBx 1.0 0.0 4.06 1654 1416 A 15 THR HA A 18 ARG HBy 1.0 0.0 4.06 1655 1417 A 15 THR HG2% A 30 ILE HG1y 1.0 0.0 4.79 1656 1417 A 15 THR HG2% A 30 ILE HG1x 1.0 0.0 4.79 1657 1418 A 16 ILE H A 16 ILE HG1y 1.0 0.0 3.32 1658 1418 A 16 ILE H A 16 ILE HG1x 1.0 0.0 3.32 1659 1419 A 16 ILE HA A 16 ILE HG1y 1.0 0.0 3.49 1660 1419 A 16 ILE HA A 16 ILE HG1x 1.0 0.0 3.49 1661 1420 A 16 ILE HA A 25 SER HBx 1.0 0.0 5.61 1662 1420 A 16 ILE HA A 25 SER HBy 1.0 0.0 5.61 1663 1421 A 16 ILE HA A 30 ILE HG1y 1.0 0.0 5.07 1664 1421 A 16 ILE HA A 30 ILE HG1x 1.0 0.0 5.07 1665 1422 A 16 ILE HG2% A 16 ILE HG1y 1.0 0.0 3.15 1666 1422 A 16 ILE HG2% A 16 ILE HG1x 1.0 0.0 3.15 1667 1423 A 16 ILE HG2% A 25 SER HBx 1.0 0.0 4.81 1668 1423 A 16 ILE HG2% A 25 SER HBy 1.0 0.0 4.81 1669 1424 A 16 ILE HG1y A 25 SER HBx 1.0 0.0 4.56 1670 1424 A 16 ILE HG1x A 25 SER HBx 1.0 0.0 4.56 1671 1424 A 25 SER HBy A 16 ILE HG1y 1.0 0.0 4.56 1672 1424 A 16 ILE HG1x A 25 SER HBy 1.0 0.0 4.56 1673 1425 A 17 ARG HA A 17 ARG HGx 1.0 0.0 3.43 1674 1425 A 17 ARG HA A 17 ARG HGy 1.0 0.0 3.43 1675 1426 A 18 ARG H A 17 ARG HGx 1.0 0.0 5.61 1676 1426 A 18 ARG H A 17 ARG HGy 1.0 0.0 5.61 1677 1427 A 18 ARG H A 18 ARG HBx 1.0 0.0 3.43 1678 1427 A 18 ARG H A 18 ARG HBy 1.0 0.0 3.43 1679 1428 A 18 ARG H A 18 ARG HGx 1.0 0.0 3.83 1680 1428 A 18 ARG H A 18 ARG HGy 1.0 0.0 3.83 1681 1429 A 18 ARG HA A 18 ARG HGx 1.0 0.0 3.77 1682 1429 A 18 ARG HA A 18 ARG HGy 1.0 0.0 3.77 1683 1430 A 19 LEU H A 18 ARG HBx 1.0 0.0 3.75 1684 1430 A 19 LEU H A 18 ARG HBy 1.0 0.0 3.75 1685 1431 A 19 LEU H A 18 ARG HGx 1.0 0.0 4.70 1686 1431 A 19 LEU H A 18 ARG HGy 1.0 0.0 4.70 1687 1432 A 19 LEU HB2 A 21 GLU HBy 1.0 0.0 3.61 1688 1432 A 19 LEU HB2 A 21 GLU HBx 1.0 0.0 3.61 1689 1433 A 19 LEU HB3 A 21 GLU HGy 1.0 0.0 3.99 1690 1433 A 19 LEU HB3 A 21 GLU HGx 1.0 0.0 3.99 1691 1434 A 19 LEU HD1% A 21 GLU HGy 1.0 0.0 5.61 1692 1434 A 19 LEU HD1% A 21 GLU HGx 1.0 0.0 5.61 1693 1435 A 19 LEU HD1% A 25 SER HBx 1.0 0.0 3.53 1694 1435 A 19 LEU HD1% A 25 SER HBy 1.0 0.0 3.53 1695 1436 A 19 LEU HD2% A 29 LYS HGy 1.0 0.0 4.63 1696 1436 A 19 LEU HD2% A 29 LYS HGx 1.0 0.0 4.63 1697 1437 A 20 GLY H A 21 GLU HBy 1.0 0.0 5.28 1698 1437 A 20 GLY H A 21 GLU HBx 1.0 0.0 5.28 1699 1438 A 21 GLU H A 21 GLU HBy 1.0 0.0 3.48 1700 1438 A 21 GLU H A 21 GLU HBx 1.0 0.0 3.48 1701 1439 A 21 GLU H A 21 GLU HGy 1.0 0.0 3.75 1702 1439 A 21 GLU H A 21 GLU HGx 1.0 0.0 3.75 1703 1440 A 21 GLU HA A 21 GLU HGy 1.0 0.0 3.78 1704 1440 A 21 GLU HGx A 21 GLU HA 1.0 0.0 3.78 1705 1441 A 24 GLY H A 21 GLU HBy 1.0 0.0 4.24 1706 1441 A 24 GLY H A 21 GLU HBx 1.0 0.0 4.24 1707 1442 A 24 GLY HA2 A 21 GLU HBy 1.0 0.0 4.70 1708 1442 A 24 GLY HA2 A 21 GLU HBx 1.0 0.0 4.70 1709 1443 A 22 ARG HA A 23 ASN HBy 1.0 0.0 5.47 1710 1443 A 22 ARG HA A 23 ASN HBx 1.0 0.0 5.47 1711 1444 A 22 ARG HGy A 23 ASN HD2x 1.0 0.0 5.16 1712 1444 A 22 ARG HGx A 23 ASN HD2x 1.0 0.0 5.16 1713 1444 A 23 ASN HD2y A 22 ARG HGx 1.0 0.0 5.16 1714 1444 A 22 ARG HGy A 23 ASN HD2y 1.0 0.0 5.16 1715 1445 A 23 ASN HA A 75 LYS HEx 1.0 0.0 4.88 1716 1445 A 23 ASN HA A 75 LYS HEy 1.0 0.0 4.88 1717 1446 A 23 ASN HBy A 23 ASN HD2x 1.0 0.0 3.38 1718 1446 A 23 ASN HBx A 23 ASN HD2x 1.0 0.0 3.38 1719 1446 A 23 ASN HD2y A 23 ASN HBy 1.0 0.0 3.38 1720 1446 A 23 ASN HBx A 23 ASN HD2y 1.0 0.0 3.38 1721 1447 A 65 VAL HG1% A 23 ASN HBy 1.0 0.0 4.50 1722 1447 A 65 VAL HG1% A 23 ASN HBx 1.0 0.0 4.50 1723 1448 A 24 GLY H A 75 LYS HBy 1.0 0.0 4.96 1724 1448 A 24 GLY H A 75 LYS HBx 1.0 0.0 4.96 1725 1449 A 24 GLY H A 75 LYS HGy 1.0 0.0 5.02 1726 1449 A 24 GLY H A 75 LYS HGx 1.0 0.0 5.02 1727 1450 A 24 GLY HA2 A 73 SER HBx 1.0 0.0 4.48 1728 1450 A 24 GLY HA2 A 73 SER HBy 1.0 0.0 4.48 1729 1451 A 24 GLY HA2 A 75 LYS HBy 1.0 0.0 4.26 1730 1451 A 24 GLY HA2 A 75 LYS HBx 1.0 0.0 4.26 1731 1452 A 24 GLY HA2 A 75 LYS HGy 1.0 0.0 4.35 1732 1452 A 24 GLY HA2 A 75 LYS HGx 1.0 0.0 4.35 1733 1453 A 24 GLY HA3 A 75 LYS HBy 1.0 0.0 4.51 1734 1453 A 24 GLY HA3 A 75 LYS HBx 1.0 0.0 4.51 1735 1454 A 24 GLY HA3 A 75 LYS HGy 1.0 0.0 4.43 1736 1454 A 24 GLY HA3 A 75 LYS HGx 1.0 0.0 4.43 1737 1455 A 25 SER H A 25 SER HBx 1.0 0.0 3.64 1738 1455 A 25 SER H A 25 SER HBy 1.0 0.0 3.64 1739 1456 A 25 SER H A 73 SER HBx 1.0 0.0 4.75 1740 1456 A 25 SER H A 73 SER HBy 1.0 0.0 4.75 1741 1457 A 25 SER H A 75 LYS HBy 1.0 0.0 5.18 1742 1457 A 25 SER H A 75 LYS HBx 1.0 0.0 5.18 1743 1458 A 26 SER H A 25 SER HBx 1.0 0.0 3.97 1744 1458 A 26 SER H A 25 SER HBy 1.0 0.0 3.97 1745 1459 A 25 SER HBx A 29 LYS HB2 1.0 0.0 3.81 1746 1459 A 25 SER HBy A 29 LYS HB2 1.0 0.0 3.81 1747 1459 A 29 LYS HB3 A 25 SER HBx 1.0 0.0 3.81 1748 1459 A 29 LYS HB3 A 25 SER HBy 1.0 0.0 3.81 1749 1460 A 25 SER HBy A 29 LYS HGy 1.0 0.0 5.11 1750 1460 A 25 SER HBx A 29 LYS HGy 1.0 0.0 5.11 1751 1460 A 29 LYS HGx A 25 SER HBx 1.0 0.0 5.11 1752 1460 A 25 SER HBy A 29 LYS HGx 1.0 0.0 5.11 1753 1461 A 30 ILE H A 25 SER HBx 1.0 0.0 4.71 1754 1461 A 30 ILE H A 25 SER HBy 1.0 0.0 4.71 1755 1462 A 25 SER HBx A 30 ILE HG1y 1.0 0.0 4.34 1756 1462 A 30 ILE HG1x A 25 SER HBx 1.0 0.0 4.34 1757 1462 A 30 ILE HG1x A 25 SER HBy 1.0 0.0 4.34 1758 1462 A 25 SER HBy A 30 ILE HG1y 1.0 0.0 4.34 1759 1463 A 30 ILE HD1% A 25 SER HBx 1.0 0.0 3.92 1760 1463 A 30 ILE HD1% A 25 SER HBy 1.0 0.0 3.92 1761 1464 A 26 SER H A 26 SER HBy 1.0 0.0 3.66 1762 1464 A 26 SER H A 26 SER HBx 1.0 0.0 3.66 1763 1465 A 26 SER H A 29 LYS HGy 1.0 0.0 5.09 1764 1465 A 26 SER H A 29 LYS HGx 1.0 0.0 5.09 1765 1466 A 26 SER HA A 73 SER HBx 1.0 0.0 5.09 1766 1466 A 26 SER HA A 73 SER HBy 1.0 0.0 5.09 1767 1467 A 27 LEU H A 26 SER HBy 1.0 0.0 3.58 1768 1467 A 27 LEU H A 26 SER HBx 1.0 0.0 3.58 1769 1468 A 28 ALA H A 26 SER HBy 1.0 0.0 4.20 1770 1468 A 28 ALA H A 26 SER HBx 1.0 0.0 4.20 1771 1469 A 28 ALA HB% A 26 SER HBy 1.0 0.0 4.67 1772 1469 A 28 ALA HB% A 26 SER HBx 1.0 0.0 4.67 1773 1470 A 29 LYS H A 26 SER HBy 1.0 0.0 5.37 1774 1470 A 29 LYS H A 26 SER HBx 1.0 0.0 5.37 1775 1471 A 26 SER HBx A 29 LYS HB2 1.0 0.0 5.18 1776 1471 A 26 SER HBy A 29 LYS HB2 1.0 0.0 5.18 1777 1471 A 29 LYS HB3 A 26 SER HBy 1.0 0.0 5.18 1778 1471 A 29 LYS HB3 A 26 SER HBx 1.0 0.0 5.18 1779 1472 A 27 LEU HD1% A 27 LEU HBy 1.0 0.0 3.45 1780 1472 A 27 LEU HD1% A 27 LEU HBx 1.0 0.0 3.45 1781 1473 A 27 LEU HD2% A 27 LEU HBy 1.0 0.0 3.18 1782 1473 A 27 LEU HD2% A 27 LEU HBx 1.0 0.0 3.18 1783 1474 A 28 ALA H A 27 LEU HBy 1.0 0.0 4.12 1784 1474 A 28 ALA H A 27 LEU HBx 1.0 0.0 4.12 1785 1475 A 28 ALA HB% A 27 LEU HBy 1.0 0.0 4.77 1786 1475 A 28 ALA HB% A 27 LEU HBx 1.0 0.0 4.77 1787 1476 A 53 ILE HD1% A 27 LEU HBy 1.0 0.0 4.84 1788 1476 A 53 ILE HD1% A 27 LEU HBx 1.0 0.0 4.84 1789 1477 A 74 PHE HE% A 27 LEU HBy 1.0 0.0 4.59 1790 1477 A 74 PHE HE% A 27 LEU HBx 1.0 0.0 4.59 1791 1478 A 29 LYS H A 29 LYS HGy 1.0 0.0 4.80 1792 1478 A 29 LYS H A 29 LYS HGx 1.0 0.0 4.80 1793 1479 A 29 LYS H A 30 ILE HG1y 1.0 0.0 5.45 1794 1479 A 29 LYS H A 30 ILE HG1x 1.0 0.0 5.45 1795 1480 A 29 LYS HE2 A 29 LYS HGy 1.0 0.0 3.54 1796 1480 A 29 LYS HE3 A 29 LYS HGy 1.0 0.0 3.54 1797 1480 A 29 LYS HGx A 29 LYS HE2 1.0 0.0 3.54 1798 1480 A 29 LYS HE3 A 29 LYS HGx 1.0 0.0 3.54 1799 1481 A 30 ILE HA A 30 ILE HG1y 1.0 0.0 3.57 1800 1481 A 30 ILE HA A 30 ILE HG1x 1.0 0.0 3.57 1801 1482 A 30 ILE HG2% A 30 ILE HG1y 1.0 0.0 3.52 1802 1482 A 30 ILE HG2% A 30 ILE HG1x 1.0 0.0 3.52 1803 1483 A 31 TYR HD% A 35 LYS HEx 1.0 0.0 5.07 1804 1483 A 31 TYR HD% A 35 LYS HEy 1.0 0.0 5.07 1805 1484 A 31 TYR HD% A 46 ARG HGx 1.0 0.0 4.75 1806 1484 A 31 TYR HD% A 46 ARG HGy 1.0 0.0 4.75 1807 1485 A 31 TYR HD% A 46 ARG HDx 1.0 0.0 4.91 1808 1485 A 31 TYR HD% A 46 ARG HDy 1.0 0.0 4.91 1809 1486 A 31 TYR HE% A 35 LYS HEx 1.0 0.0 4.34 1810 1486 A 31 TYR HE% A 35 LYS HEy 1.0 0.0 4.34 1811 1487 A 31 TYR HE% A 46 ARG HGx 1.0 0.0 4.24 1812 1487 A 31 TYR HE% A 46 ARG HGy 1.0 0.0 4.24 1813 1488 A 32 THR HG2% A 35 LYS HEx 1.0 0.0 4.61 1814 1488 A 32 THR HG2% A 35 LYS HEy 1.0 0.0 4.61 1815 1489 A 35 LYS HB2 A 35 LYS HEx 1.0 0.0 5.08 1816 1489 A 35 LYS HB2 A 35 LYS HEy 1.0 0.0 5.08 1817 1490 A 39 TRP H A 38 PRO HBy 1.0 0.0 4.24 1818 1490 A 39 TRP H A 38 PRO HBx 1.0 0.0 4.24 1819 1491 A 39 TRP H A 39 TRP HBy 1.0 0.0 3.83 1820 1491 A 39 TRP H A 39 TRP HBx 1.0 0.0 3.83 1821 1492 A 39 TRP HD1 A 39 TRP HBy 1.0 0.0 3.38 1822 1492 A 39 TRP HD1 A 39 TRP HBx 1.0 0.0 3.38 1823 1493 A 39 TRP HE3 A 39 TRP HBy 1.0 0.0 3.63 1824 1493 A 39 TRP HE3 A 39 TRP HBx 1.0 0.0 3.63 1825 1494 A 41 ASP HB2 A 44 ASN HBy 1.0 0.0 5.28 1826 1494 A 41 ASP HB2 A 44 ASN HBx 1.0 0.0 5.28 1827 1495 A 43 GLN H A 43 GLN HBy 1.0 0.0 3.42 1828 1495 A 43 GLN H A 43 GLN HBx 1.0 0.0 3.42 1829 1496 A 44 ASN H A 43 GLN HBy 1.0 0.0 3.77 1830 1496 A 44 ASN H A 43 GLN HBx 1.0 0.0 3.77 1831 1497 A 43 GLN HBx A 44 ASN HD2x 1.0 0.0 4.27 1832 1497 A 43 GLN HBy A 44 ASN HD2x 1.0 0.0 4.27 1833 1497 A 44 ASN HD2y A 43 GLN HBy 1.0 0.0 4.27 1834 1497 A 43 GLN HBx A 44 ASN HD2y 1.0 0.0 4.27 1835 1498 A 43 GLN HG2 A 44 ASN HD2x 1.0 0.0 5.29 1836 1498 A 43 GLN HG3 A 44 ASN HD2x 1.0 0.0 5.29 1837 1498 A 44 ASN HD2y A 43 GLN HG2 1.0 0.0 5.29 1838 1498 A 43 GLN HG3 A 44 ASN HD2y 1.0 0.0 5.29 1839 1499 A 44 ASN H A 44 ASN HBy 1.0 0.0 3.72 1840 1499 A 44 ASN H A 44 ASN HBx 1.0 0.0 3.72 1841 1500 A 44 ASN HBy A 44 ASN HD2x 1.0 0.0 3.33 1842 1500 A 44 ASN HBx A 44 ASN HD2x 1.0 0.0 3.33 1843 1500 A 44 ASN HD2y A 44 ASN HBy 1.0 0.0 3.33 1844 1500 A 44 ASN HBx A 44 ASN HD2y 1.0 0.0 3.33 1845 1501 A 47 THR HG2% A 44 ASN HBy 1.0 0.0 5.04 1846 1501 A 47 THR HG2% A 44 ASN HBx 1.0 0.0 5.04 1847 1502 A 48 TYR HD% A 44 ASN HBy 1.0 0.0 4.95 1848 1502 A 48 TYR HD% A 44 ASN HBx 1.0 0.0 4.95 1849 1503 A 48 TYR HE% A 44 ASN HBy 1.0 0.0 3.60 1850 1503 A 48 TYR HE% A 44 ASN HBx 1.0 0.0 3.60 1851 1504 A 48 TYR HE% A 44 ASN HD2x 1.0 0.0 5.61 1852 1504 A 48 TYR HE% A 44 ASN HD2y 1.0 0.0 5.61 1853 1505 A 46 ARG H A 46 ARG HGx 1.0 0.0 4.73 1854 1505 A 46 ARG H A 46 ARG HGy 1.0 0.0 4.73 1855 1506 A 46 ARG HA A 46 ARG HGx 1.0 0.0 3.60 1856 1506 A 46 ARG HA A 46 ARG HGy 1.0 0.0 3.60 1857 1507 A 46 ARG HB3 A 46 ARG HDx 1.0 0.0 3.78 1858 1507 A 46 ARG HB3 A 46 ARG HDy 1.0 0.0 3.78 1859 1508 A 47 THR H A 46 ARG HGx 1.0 0.0 4.42 1860 1508 A 47 THR H A 46 ARG HGy 1.0 0.0 4.42 1861 1509 A 47 THR HA A 50 LYS HGy 1.0 0.0 5.50 1862 1509 A 47 THR HA A 50 LYS HGx 1.0 0.0 5.50 1863 1510 A 49 LEU HD2% A 52 SER HBy 1.0 0.0 5.44 1864 1510 A 49 LEU HD2% A 52 SER HBx 1.0 0.0 5.44 1865 1511 A 50 LYS H A 50 LYS HGy 1.0 0.0 4.51 1866 1511 A 50 LYS H A 50 LYS HGx 1.0 0.0 4.51 1867 1512 A 51 TYR H A 50 LYS HGy 1.0 0.0 5.55 1868 1512 A 51 TYR H A 50 LYS HGx 1.0 0.0 5.55 1869 1513 A 52 SER H A 52 SER HBy 1.0 0.0 3.42 1870 1513 A 52 SER H A 52 SER HBx 1.0 0.0 3.42 1871 1514 A 53 ILE H A 52 SER HBy 1.0 0.0 3.70 1872 1514 A 53 ILE H A 52 SER HBx 1.0 0.0 3.70 1873 1515 A 53 ILE HA A 52 SER HBy 1.0 0.0 4.56 1874 1515 A 53 ILE HA A 52 SER HBx 1.0 0.0 4.56 1875 1516 A 53 ILE HG12 A 52 SER HBy 1.0 0.0 5.29 1876 1516 A 53 ILE HG12 A 52 SER HBx 1.0 0.0 5.29 1877 1517 A 55 ALA HB% A 52 SER HBy 1.0 0.0 4.54 1878 1517 A 55 ALA HB% A 52 SER HBx 1.0 0.0 4.54 1879 1518 A 56 LEU HD1% A 52 SER HBy 1.0 0.0 4.46 1880 1518 A 56 LEU HD1% A 52 SER HBx 1.0 0.0 4.46 1881 1519 A 54 LYS HA A 54 LYS HGy 1.0 0.0 3.81 1882 1519 A 54 LYS HA A 54 LYS HGx 1.0 0.0 3.81 1883 1520 A 55 ALA HA A 54 LYS HGy 1.0 0.0 5.18 1884 1520 A 55 ALA HA A 54 LYS HGx 1.0 0.0 5.18 1885 1521 A 55 ALA HA A 58 GLN HBy 1.0 0.0 3.55 1886 1521 A 55 ALA HA A 58 GLN HBx 1.0 0.0 3.55 1887 1522 A 55 ALA HA A 58 GLN HGy 1.0 0.0 4.74 1888 1522 A 55 ALA HA A 58 GLN HGx 1.0 0.0 4.74 1889 1523 A 55 ALA HB% A 58 GLN HBy 1.0 0.0 4.49 1890 1523 A 55 ALA HB% A 58 GLN HBx 1.0 0.0 4.49 1891 1524 A 56 LEU H A 58 GLN HBy 1.0 0.0 5.61 1892 1524 A 56 LEU H A 58 GLN HBx 1.0 0.0 5.61 1893 1525 A 56 LEU HA A 59 ASN HBx 1.0 0.0 5.39 1894 1525 A 56 LEU HA A 59 ASN HBy 1.0 0.0 5.39 1895 1526 A 57 VAL HG1% A 64 GLN HBx 1.0 0.0 4.26 1896 1526 A 57 VAL HG1% A 64 GLN HBy 1.0 0.0 4.26 1897 1527 A 57 VAL HG1% A 64 GLN HGy 1.0 0.0 5.02 1898 1527 A 57 VAL HG1% A 64 GLN HGx 1.0 0.0 5.02 1899 1528 A 57 VAL HG1% A 64 GLN HE2y 1.0 0.0 5.03 1900 1528 A 57 VAL HG1% A 64 GLN HE2x 1.0 0.0 5.03 1901 1529 A 57 VAL HG2% A 64 GLN HBx 1.0 0.0 4.92 1902 1529 A 57 VAL HG2% A 64 GLN HBy 1.0 0.0 4.92 1903 1530 A 57 VAL HG2% A 64 GLN HGy 1.0 0.0 5.61 1904 1530 A 57 VAL HG2% A 64 GLN HGx 1.0 0.0 5.61 1905 1531 A 58 GLN H A 58 GLN HGy 1.0 0.0 3.87 1906 1531 A 58 GLN H A 58 GLN HGx 1.0 0.0 3.87 1907 1532 A 59 ASN H A 58 GLN HBy 1.0 0.0 3.65 1908 1532 A 59 ASN H A 58 GLN HBx 1.0 0.0 3.65 1909 1533 A 59 ASN H A 59 ASN HBx 1.0 0.0 3.57 1910 1533 A 59 ASN H A 59 ASN HBy 1.0 0.0 3.57 1911 1534 A 61 THR H A 59 ASN HBx 1.0 0.0 5.61 1912 1534 A 61 THR H A 59 ASN HBy 1.0 0.0 5.61 1913 1535 A 60 ASP H A 60 ASP HBy 1.0 0.0 3.89 1914 1535 A 60 ASP H A 60 ASP HBx 1.0 0.0 3.89 1915 1536 A 61 THR H A 60 ASP HBy 1.0 0.0 4.70 1916 1536 A 61 THR H A 60 ASP HBx 1.0 0.0 4.70 1917 1537 A 63 LEU HD2% A 60 ASP HBy 1.0 0.0 5.37 1918 1537 A 63 LEU HD2% A 60 ASP HBx 1.0 0.0 5.37 1919 1538 A 77 ASN HD2y A 60 ASP HBy 1.0 0.0 3.52 1920 1538 A 77 ASN HD2x A 60 ASP HBx 1.0 0.0 3.52 1921 1538 A 77 ASN HD2y A 60 ASP HBx 1.0 0.0 3.52 1922 1538 A 77 ASN HD2x A 60 ASP HBy 1.0 0.0 3.52 1923 1539 A 61 THR H A 77 ASN HBy 1.0 0.0 5.61 1924 1539 A 61 THR H A 77 ASN HBx 1.0 0.0 5.61 1925 1540 A 61 THR HA A 77 ASN HBy 1.0 0.0 4.40 1926 1540 A 61 THR HA A 77 ASN HBx 1.0 0.0 4.40 1927 1541 A 77 ASN HD2y A 61 THR HA 1.0 0.0 5.40 1928 1541 A 61 THR HA A 77 ASN HD2x 1.0 0.0 5.40 1929 1542 A 62 LEU HA A 77 ASN HBy 1.0 0.0 5.15 1930 1542 A 62 LEU HA A 77 ASN HBx 1.0 0.0 5.15 1931 1543 A 63 LEU HB3 A 77 ASN HBy 1.0 0.0 5.61 1932 1543 A 63 LEU HB2 A 77 ASN HBy 1.0 0.0 5.61 1933 1543 A 77 ASN HBx A 63 LEU HB2 1.0 0.0 5.61 1934 1543 A 63 LEU HB3 A 77 ASN HBx 1.0 0.0 5.61 1935 1544 A 63 LEU HB3 A 77 ASN HD2x 1.0 0.0 4.97 1936 1544 A 77 ASN HD2y A 63 LEU HB2 1.0 0.0 4.97 1937 1544 A 63 LEU HB3 A 77 ASN HD2y 1.0 0.0 4.97 1938 1544 A 77 ASN HD2x A 63 LEU HB2 1.0 0.0 4.97 1939 1545 A 63 LEU HG A 77 ASN HBy 1.0 0.0 3.94 1940 1545 A 63 LEU HG A 77 ASN HBx 1.0 0.0 3.94 1941 1546 A 77 ASN HD2y A 63 LEU HG 1.0 0.0 5.61 1942 1546 A 77 ASN HD2x A 63 LEU HG 1.0 0.0 5.61 1943 1547 A 63 LEU HD1% A 75 LYS HBy 1.0 0.0 4.81 1944 1547 A 63 LEU HD1% A 75 LYS HBx 1.0 0.0 4.81 1945 1548 A 63 LEU HD1% A 75 LYS HEx 1.0 0.0 4.50 1946 1548 A 63 LEU HD1% A 75 LYS HEy 1.0 0.0 4.50 1947 1549 A 63 LEU HD1% A 77 ASN HBy 1.0 0.0 4.40 1948 1549 A 63 LEU HD1% A 77 ASN HBx 1.0 0.0 4.40 1949 1550 A 63 LEU HD2% A 77 ASN HBy 1.0 0.0 4.09 1950 1550 A 63 LEU HD2% A 77 ASN HBx 1.0 0.0 4.09 1951 1551 A 64 GLN H A 64 GLN HBx 1.0 0.0 3.32 1952 1551 A 64 GLN H A 64 GLN HBy 1.0 0.0 3.32 1953 1552 A 64 GLN H A 64 GLN HGy 1.0 0.0 4.57 1954 1552 A 64 GLN H A 64 GLN HGx 1.0 0.0 4.57 1955 1553 A 64 GLN HA A 64 GLN HGy 1.0 0.0 3.68 1956 1553 A 64 GLN HA A 64 GLN HGx 1.0 0.0 3.68 1957 1554 A 64 GLN HE2y A 64 GLN HBx 1.0 0.0 4.02 1958 1554 A 64 GLN HE2y A 64 GLN HBy 1.0 0.0 4.02 1959 1554 A 64 GLN HE2x A 64 GLN HBx 1.0 0.0 4.02 1960 1554 A 64 GLN HE2x A 64 GLN HBy 1.0 0.0 4.02 1961 1555 A 66 LYS H A 64 GLN HBx 1.0 0.0 5.61 1962 1555 A 66 LYS H A 64 GLN HBy 1.0 0.0 5.61 1963 1556 A 74 PHE HD% A 64 GLN HBx 1.0 0.0 4.73 1964 1556 A 74 PHE HD% A 64 GLN HBy 1.0 0.0 4.73 1965 1557 A 74 PHE HE% A 64 GLN HBx 1.0 0.0 4.39 1966 1557 A 74 PHE HE% A 64 GLN HBy 1.0 0.0 4.39 1967 1558 A 65 VAL H A 64 GLN HGy 1.0 0.0 4.54 1968 1558 A 65 VAL H A 64 GLN HGx 1.0 0.0 4.54 1969 1559 A 66 LYS H A 64 GLN HGy 1.0 0.0 5.61 1970 1559 A 66 LYS H A 64 GLN HGx 1.0 0.0 5.61 1971 1560 A 74 PHE HE% A 64 GLN HGy 1.0 0.0 5.61 1972 1560 A 74 PHE HE% A 64 GLN HGx 1.0 0.0 5.61 1973 1561 A 65 VAL HG1% A 73 SER HBx 1.0 0.0 4.77 1974 1561 A 65 VAL HG1% A 73 SER HBy 1.0 0.0 4.77 1975 1562 A 65 VAL HG1% A 75 LYS HBy 1.0 0.0 5.47 1976 1562 A 65 VAL HG1% A 75 LYS HBx 1.0 0.0 5.47 1977 1563 A 66 LYS H A 66 LYS HBy 1.0 0.0 3.74 1978 1563 A 66 LYS H A 66 LYS HBx 1.0 0.0 3.74 1979 1564 A 73 SER H A 66 LYS HBy 1.0 0.0 5.01 1980 1564 A 73 SER H A 66 LYS HBx 1.0 0.0 5.01 1981 1565 A 68 THR HG2% A 73 SER HBx 1.0 0.0 5.34 1982 1565 A 68 THR HG2% A 73 SER HBy 1.0 0.0 5.34 1983 1566 A 70 ALA HB% A 69 GLY HAx 1.0 0.0 5.57 1984 1566 A 70 ALA HB% A 69 GLY HAy 1.0 0.0 5.57 1985 1567 A 74 PHE HE% A 72 GLY HAx 1.0 0.0 4.62 1986 1567 A 74 PHE HE% A 72 GLY HAy 1.0 0.0 4.62 1987 1568 A 73 SER H A 73 SER HBx 1.0 0.0 3.82 1988 1568 A 73 SER H A 73 SER HBy 1.0 0.0 3.82 1989 1569 A 74 PHE H A 73 SER HBx 1.0 0.0 3.79 1990 1569 A 74 PHE H A 73 SER HBy 1.0 0.0 3.79 1991 1570 A 75 LYS H A 75 LYS HBy 1.0 0.0 3.80 1992 1570 A 75 LYS H A 75 LYS HBx 1.0 0.0 3.80 1993 1571 A 75 LYS H A 75 LYS HGy 1.0 0.0 4.04 1994 1571 A 75 LYS H A 75 LYS HGx 1.0 0.0 4.04 1995 1572 A 75 LYS HBy A 75 LYS HEx 1.0 0.0 4.79 1996 1572 A 75 LYS HBx A 75 LYS HEx 1.0 0.0 4.79 1997 1572 A 75 LYS HEy A 75 LYS HBy 1.0 0.0 4.79 1998 1572 A 75 LYS HEy A 75 LYS HBx 1.0 0.0 4.79 1999 1573 A 76 LEU H A 75 LYS HBy 1.0 0.0 3.38 2000 1573 A 76 LEU H A 75 LYS HBx 1.0 0.0 3.38 2001 1574 A 76 LEU H A 75 LYS HGy 1.0 0.0 5.19 2002 1574 A 76 LEU H A 75 LYS HGx 1.0 0.0 5.19 2003 1575 A 76 LEU HA A 77 ASN HBy 1.0 0.0 5.37 2004 1575 A 76 LEU HA A 77 ASN HBx 1.0 0.0 5.37 2005 1576 A 76 LEU HB3 A 77 ASN HBy 1.0 0.0 5.61 2006 1576 A 76 LEU HB3 A 77 ASN HBx 1.0 0.0 5.61 2007 1577 A 76 LEU HD2% A 77 ASN HBy 1.0 0.0 5.61 2008 1577 A 76 LEU HD2% A 77 ASN HBx 1.0 0.0 5.61 2009 1578 A 77 ASN HD2y A 77 ASN HBy 1.0 0.0 3.29 2010 1578 A 77 ASN HD2x A 77 ASN HBx 1.0 0.0 3.29 2011 1578 A 77 ASN HD2x A 77 ASN HBy 1.0 0.0 3.29 2012 1578 A 77 ASN HD2y A 77 ASN HBx 1.0 0.0 3.29 2013 1579 A 77 ASN HBy A 80 LYS HGx 1.0 0.0 5.44 2014 1579 A 80 LYS HGy A 77 ASN HBy 1.0 0.0 5.44 2015 1579 A 77 ASN HBx A 80 LYS HGy 1.0 0.0 5.44 2016 1579 A 77 ASN HBx A 80 LYS HGx 1.0 0.0 5.44 2017 1580 A 77 ASN HD2y A 80 LYS HBy 1.0 0.0 4.33 2018 1580 A 77 ASN HD2y A 80 LYS HBx 1.0 0.0 4.33 2019 1580 A 77 ASN HD2x A 80 LYS HBx 1.0 0.0 4.33 2020 1580 A 77 ASN HD2x A 80 LYS HBy 1.0 0.0 4.33 2021 1581 A 77 ASN HD2y A 80 LYS HGx 1.0 0.0 5.44 2022 1581 A 77 ASN HD2y A 80 LYS HGy 1.0 0.0 5.44 2023 1581 A 77 ASN HD2x A 80 LYS HGy 1.0 0.0 5.44 2024 1581 A 77 ASN HD2x A 80 LYS HGx 1.0 0.0 5.44 2025 1582 A 78 ARG H A 78 ARG HGx 1.0 0.0 4.86 2026 1582 A 78 ARG H A 78 ARG HGy 1.0 0.0 4.86 2027 1583 A 78 ARG HA A 78 ARG HGx 1.0 0.0 3.69 2028 1583 A 78 ARG HA A 78 ARG HGy 1.0 0.0 3.69 2029 1584 A 79 LYS H A 79 LYS HGy 1.0 0.0 4.73 2030 1584 A 79 LYS H A 79 LYS HGx 1.0 0.0 4.73 2031 1585 A 79 LYS HA A 79 LYS HGy 1.0 0.0 3.90 2032 1585 A 79 LYS HA A 79 LYS HGx 1.0 0.0 3.90 2033 1586 A 79 LYS HD3 A 79 LYS HGy 1.0 0.0 2.54 2034 1586 A 79 LYS HD2 A 79 LYS HGy 1.0 0.0 2.54 2035 1586 A 79 LYS HGx A 79 LYS HD2 1.0 0.0 2.54 2036 1586 A 79 LYS HD3 A 79 LYS HGx 1.0 0.0 2.54 2037 1587 A 80 LYS H A 79 LYS HGy 1.0 0.0 5.47 2038 1587 A 80 LYS H A 79 LYS HGx 1.0 0.0 5.47 2039 1588 A 80 LYS H A 80 LYS HBy 1.0 0.0 3.32 2040 1588 A 80 LYS H A 80 LYS HBx 1.0 0.0 3.32 2041 1589 A 80 LYS H A 80 LYS HGx 1.0 0.0 4.71 2042 1589 A 80 LYS H A 80 LYS HGy 1.0 0.0 4.71 2043 1590 A 81 LEU H A 80 LYS HBy 1.0 0.0 4.08 2044 1590 A 81 LEU H A 80 LYS HBx 1.0 0.0 4.08 2045 1591 A 80 LYS HE3 A 80 LYS HGx 1.0 0.0 3.72 2046 1591 A 80 LYS HGy A 80 LYS HE2 1.0 0.0 3.72 2047 1591 A 80 LYS HE3 A 80 LYS HGy 1.0 0.0 3.72 2048 1591 A 80 LYS HE2 A 80 LYS HGx 1.0 0.0 3.72 2049 1592 A 81 LEU H A 80 LYS HGx 1.0 0.0 5.61 2050 1592 A 81 LEU H A 80 LYS HGy 1.0 0.0 5.61 2051 1593 A 81 LEU H A 81 LEU HBy 1.0 0.0 3.27 2052 1593 A 81 LEU H A 81 LEU HBx 1.0 0.0 3.27 2053 1594 A 82 GLU H A 81 LEU HBy 1.0 0.0 4.07 2054 1594 A 82 GLU H A 81 LEU HBx 1.0 0.0 4.07 2055 1595 A 81 LEU HBy A 82 GLU HG2 1.0 0.0 4.95 2056 1595 A 81 LEU HBx A 82 GLU HG2 1.0 0.0 4.95 2057 1595 A 82 GLU HG3 A 81 LEU HBy 1.0 0.0 4.95 2058 1595 A 82 GLU HG3 A 81 LEU HBx 1.0 0.0 4.95 2059 1596 A 83 GLY H A 81 LEU HBy 1.0 0.0 5.38 2060 1596 A 83 GLY H A 81 LEU HBx 1.0 0.0 5.38 2061 1597 A 82 GLU H A 82 GLU HBy 1.0 0.0 3.65 2062 1597 A 82 GLU H A 82 GLU HBx 1.0 0.0 3.65 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 7 LYS C A 8 TYR N A 8 TYR CA A 8 TYR C 1.0 -77.0 -50.6 PHI 2 2 A 8 TYR N A 8 TYR CA A 8 TYR C A 9 SER N 1.0 -49.4 -29.4 PSI 3 3 A 8 TYR C A 9 SER N A 9 SER CA A 9 SER C 1.0 -72.0 -52.0 PHI 4 4 A 9 SER N A 9 SER CA A 9 SER C A 10 GLN N 1.0 -54.3 -24.9 PSI 5 5 A 9 SER C A 10 GLN N A 10 GLN CA A 10 GLN C 1.0 -77.5 -50.9 PHI 6 6 A 10 GLN N A 10 GLN CA A 10 GLN C A 11 LEU N 1.0 -54.0 -34.0 PSI 7 7 A 10 GLN C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -74.6 -54.6 PHI 8 8 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 VAL N 1.0 -54.7 -21.1 PSI 9 9 A 11 LEU C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -74.8 -54.8 PHI 10 10 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 VAL N 1.0 -54.1 -32.9 PSI 11 11 A 12 VAL C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -76.3 -46.1 PHI 12 12 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 GLU N 1.0 -59.5 -30.5 PSI 13 13 A 13 VAL C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -73.4 -53.4 PHI 14 14 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 THR N 1.0 -57.3 -18.3 PSI 15 15 A 14 GLU C A 15 THR N A 15 THR CA A 15 THR C 1.0 -84.9 -45.7 PHI 16 16 A 15 THR N A 15 THR CA A 15 THR C A 16 ILE N 1.0 -55.7 -27.9 PSI 17 17 A 15 THR C A 16 ILE N A 16 ILE CA A 16 ILE C 1.0 -74.3 -51.3 PHI 18 18 A 16 ILE N A 16 ILE CA A 16 ILE C A 17 ARG N 1.0 -53.2 -31.0 PSI 19 19 A 16 ILE C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -73.5 -53.5 PHI 20 20 A 17 ARG N A 17 ARG CA A 17 ARG C A 18 ARG N 1.0 -58.4 -26.6 PSI 21 21 A 17 ARG C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -72.9 -52.9 PHI 22 22 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 LEU N 1.0 -56.3 -26.3 PSI 23 23 A 18 ARG C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -83.4 -49.0 PHI 24 24 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 GLY N 1.0 -61.2 -18.0 PSI 25 25 A 24 GLY C A 25 SER N A 25 SER CA A 25 SER C 1.0 -176.8 -96.2 PHI 26 26 A 25 SER N A 25 SER CA A 25 SER C A 26 SER N 1.0 104.3 173.9 PSI 27 27 A 25 SER C A 26 SER N A 26 SER CA A 26 SER C 1.0 -160.6 -39.6 PHI 28 28 A 26 SER N A 26 SER CA A 26 SER C A 27 LEU N 1.0 149.3 189.9 PSI 29 29 A 28 ALA C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -76.1 -48.7 PHI 30 30 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 ILE N 1.0 -54.3 -34.3 PSI 31 31 A 29 LYS C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -71.3 -51.3 PHI 32 32 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 TYR N 1.0 -61.9 -15.9 PSI 33 33 A 30 ILE C A 31 TYR N A 31 TYR CA A 31 TYR C 1.0 -73.7 -47.5 PHI 34 34 A 31 TYR N A 31 TYR CA A 31 TYR C A 32 THR N 1.0 -57.9 -29.9 PSI 35 35 A 31 TYR C A 32 THR N A 32 THR CA A 32 THR C 1.0 -91.1 -42.7 PHI 36 36 A 32 THR N A 32 THR CA A 32 THR C A 33 GLU N 1.0 -52.9 -32.1 PSI 37 37 A 45 GLY C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -75.2 -51.8 PHI 38 38 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 THR N 1.0 -51.6 -31.6 PSI 39 39 A 46 ARG C A 47 THR N A 47 THR CA A 47 THR C 1.0 -71.0 -51.0 PHI 40 40 A 47 THR N A 47 THR CA A 47 THR C A 48 TYR N 1.0 -53.4 -33.4 PSI 41 41 A 47 THR C A 48 TYR N A 48 TYR CA A 48 TYR C 1.0 -74.7 -54.7 PHI 42 42 A 48 TYR N A 48 TYR CA A 48 TYR C A 49 LEU N 1.0 -50.9 -23.5 PSI 43 43 A 48 TYR C A 49 LEU N A 49 LEU CA A 49 LEU C 1.0 -74.7 -52.9 PHI 44 44 A 49 LEU N A 49 LEU CA A 49 LEU C A 50 LYS N 1.0 -53.4 -27.0 PSI 45 45 A 49 LEU C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -70.3 -50.3 PHI 46 46 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 TYR N 1.0 -54.9 -27.7 PSI 47 47 A 50 LYS C A 51 TYR N A 51 TYR CA A 51 TYR C 1.0 -77.7 -55.9 PHI 48 48 A 51 TYR N A 51 TYR CA A 51 TYR C A 52 SER N 1.0 -48.9 -28.5 PSI 49 49 A 51 TYR C A 52 SER N A 52 SER CA A 52 SER C 1.0 -74.4 -54.4 PHI 50 50 A 52 SER N A 52 SER CA A 52 SER C A 53 ILE N 1.0 -51.9 -31.9 PSI 51 51 A 52 SER C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -71.9 -51.7 PHI 52 52 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 LYS N 1.0 -55.6 -35.2 PSI 53 53 A 53 ILE C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -69.7 -47.5 PHI 54 54 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 ALA N 1.0 -52.3 -32.3 PSI 55 55 A 54 LYS C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -77.0 -49.8 PHI 56 56 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 LEU N 1.0 -51.3 -31.3 PSI 57 57 A 55 ALA C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -84.3 -50.7 PHI 58 58 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 VAL N 1.0 -63.9 -11.3 PSI 59 59 A 56 LEU C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -85.8 -53.8 PHI 60 60 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 GLN N 1.0 -56.4 -16.4 PSI 61 61 A 57 VAL C A 58 GLN N A 58 GLN CA A 58 GLN C 1.0 -75.7 -50.9 PHI 62 62 A 58 GLN N A 58 GLN CA A 58 GLN C A 59 ASN N 1.0 -43.7 -17.5 PSI 63 63 A 58 GLN C A 59 ASN N A 59 ASN CA A 59 ASN C 1.0 -112.1 -80.5 PHI 64 64 A 59 ASN N A 59 ASN CA A 59 ASN C A 60 ASP N 1.0 3.8 28.2 PSI 65 65 A 59 ASN C A 60 ASP N A 60 ASP CA A 60 ASP C 1.0 46.3 103.3 PHI 66 66 A 60 ASP N A 60 ASP CA A 60 ASP C A 61 THR N 1.0 -27.2 60.6 PSI 67 67 A 61 THR C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -173.7 -104.5 PHI 68 68 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 LEU N 1.0 119.1 195.7 PSI 69 69 A 62 LEU C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -141.4 -101.2 PHI 70 70 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 GLN N 1.0 99.1 154.3 PSI 71 71 A 72 GLY C A 73 SER N A 73 SER CA A 73 SER C 1.0 -147.4 -70.6 PHI 72 72 A 73 SER N A 73 SER CA A 73 SER C A 74 PHE N 1.0 92.0 215.0 PSI 73 73 A 73 SER C A 74 PHE N A 74 PHE CA A 74 PHE C 1.0 -163.2 -114.6 PHI 74 74 A 74 PHE N A 74 PHE CA A 74 PHE C A 75 LYS N 1.0 119.5 183.5 PSI 75 75 A 74 PHE C A 75 LYS N A 75 LYS CA A 75 LYS C 1.0 -156.0 -113.0 PHI 76 76 A 75 LYS N A 75 LYS CA A 75 LYS C A 76 LEU N 1.0 136.2 175.6 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 8 TYR N A 8 TYR H 1.0 . . . 2 2 A 9 SER N A 9 SER H 1.0 . . . 3 3 A 10 GLN N A 10 GLN H 1.0 . . . 4 4 A 11 LEU N A 11 LEU H 1.0 . . . 5 5 A 12 VAL N A 12 VAL H 1.0 . . . 6 6 A 14 GLU N A 14 GLU H 1.0 . . . 7 7 A 15 THR N A 15 THR H 1.0 . . . 8 8 A 16 ILE N A 16 ILE H 1.0 . . . 9 9 A 17 ARG N A 17 ARG H 1.0 . . . 10 10 A 19 LEU N A 19 LEU H 1.0 . . . 11 11 A 24 GLY N A 24 GLY H 1.0 . . . 12 12 A 25 SER N A 25 SER H 1.0 . . . 13 13 A 27 LEU N A 27 LEU H 1.0 . . . 14 14 A 29 LYS N A 29 LYS H 1.0 . . . 15 15 A 31 TYR N A 31 TYR H 1.0 . . . 16 16 A 32 THR N A 32 THR H 1.0 . . . 17 17 A 33 GLU N A 33 GLU H 1.0 . . . 18 18 A 34 ALA N A 34 ALA H 1.0 . . . 19 19 A 35 LYS N A 35 LYS H 1.0 . . . 20 20 A 36 LYS N A 36 LYS H 1.0 . . . 21 21 A 40 PHE N A 40 PHE H 1.0 . . . 22 22 A 41 ASP N A 41 ASP H 1.0 . . . 23 23 A 45 GLY N A 45 GLY H 1.0 . . . 24 24 A 47 THR N A 47 THR H 1.0 . . . 25 25 A 48 TYR N A 48 TYR H 1.0 . . . 26 26 A 50 LYS N A 50 LYS H 1.0 . . . 27 27 A 52 SER N A 52 SER H 1.0 . . . 28 28 A 53 ILE N A 53 ILE H 1.0 . . . 29 29 A 55 ALA N A 55 ALA H 1.0 . . . 30 30 A 57 VAL N A 57 VAL H 1.0 . . . 31 31 A 58 GLN N A 58 GLN H 1.0 . . . 32 32 A 59 ASN N A 59 ASN H 1.0 . . . 33 33 A 60 ASP N A 60 ASP H 1.0 . . . 34 34 A 61 THR N A 61 THR H 1.0 . . . 35 35 A 63 LEU N A 63 LEU H 1.0 . . . 36 36 A 64 GLN N A 64 GLN H 1.0 . . . 37 37 A 65 VAL N A 65 VAL H 1.0 . . . 38 38 A 73 SER N A 73 SER H 1.0 . . . 39 39 A 75 LYS N A 75 LYS H 1.0 . . . 40 40 A 76 LEU N A 76 LEU H 1.0 . . . 41 41 A 77 ASN N A 77 ASN H 1.0 . . . stop_ save_ save_15N _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 15N _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 4657.1 2 1H 9315.3 3 15N 1694 stop_ save_ save_13Cali _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 13Cali _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 9314.2 2 1H 9315.3 3 13C 8303.9 stop_ save_ save_13Caro _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 13Caro _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 4657.1 2 1H 9315.3 3 13C 8303.9 stop_ save_