data_nef_c19185_2m7g save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 PHE start . . 2 A 2 THR middle . . 3 A 3 LEU middle . . 4 A 4 ILE middle . . 5 A 5 GLU middle . . 6 A 6 LEU middle . . 7 A 7 LEU middle . . 8 A 8 ILE middle . . 9 A 9 VAL middle . . 10 A 10 VAL middle . . 11 A 11 ALA middle . . 12 A 12 ILE middle . . 13 A 13 ILE middle . . 14 A 14 GLY middle . false 15 A 15 ILE middle . . 16 A 16 LEU middle . . 17 A 17 ALA middle . . 18 A 18 ALA middle . . 19 A 19 ILE middle . . 20 A 20 ALA middle . . 21 A 21 ILE middle . . 22 A 22 PRO middle . false 23 A 23 GLN middle . . 24 A 24 PHE middle . . 25 A 25 SER middle . . 26 A 26 ALA middle . . 27 A 27 TYR middle . . 28 A 28 ARG middle . . 29 A 29 VAL middle . . 30 A 30 LYS middle . . 31 A 31 ALA middle . . 32 A 32 TYR middle . . 33 A 33 ASN middle . . 34 A 34 SER middle . . 35 A 35 ALA middle . . 36 A 36 ALA middle . . 37 A 37 SER middle . . 38 A 38 SER middle . . 39 A 39 ASP middle . . 40 A 40 LEU middle . . 41 A 41 ARG middle . . 42 A 42 ASN middle . . 43 A 43 LEU middle . . 44 A 44 LYS middle . . 45 A 45 THR middle . . 46 A 46 ALA middle . . 47 A 47 LEU middle . . 48 A 48 GLU middle . . 49 A 49 SER middle . . 50 A 50 ALA middle . . 51 A 51 PHE middle . . 52 A 52 ALA middle . . 53 A 53 ASP middle . . 54 A 54 ASP middle . . 55 A 55 GLN middle . . 56 A 56 THR middle . . 57 A 57 TYR middle . . 58 A 58 PRO middle . false 59 A 59 PRO middle . false 60 A 60 GLU middle . . 61 A 61 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 THR H H 1 8.189 0.05 A 2 THR HA H 1 4.713 0.05 A 2 THR HG2% H 1 1.279 0.05 A 2 THR C C 13 174.853 0.3 A 2 THR CA C 13 59.734 0.3 A 2 THR CB C 13 71.378 0.3 A 2 THR N N 15 112.540 0.5 A 3 LEU H H 1 8.997 0.05 A 3 LEU HA H 1 4.101 0.05 A 3 LEU HBx H 1 1.765 0.05 A 3 LEU HBy H 1 1.765 0.05 A 3 LEU HDx% H 1 0.940 0.05 A 3 LEU HDy% H 1 0.940 0.05 A 3 LEU C C 13 178.488 0.3 A 3 LEU CA C 13 58.153 0.3 A 3 LEU CB C 13 41.443 0.3 A 3 LEU N N 15 121.600 0.5 A 4 ILE H H 1 8.173 0.05 A 4 ILE HA H 1 3.798 0.05 A 4 ILE HB H 1 1.891 0.05 A 4 ILE HD1% H 1 0.914 0.05 A 4 ILE HG1x H 1 1.289 0.05 A 4 ILE HG1y H 1 1.579 0.05 A 4 ILE C C 13 176.847 0.3 A 4 ILE CA C 13 63.784 0.3 A 4 ILE CB C 13 37.077 0.3 A 4 ILE CD1 C 13 12.610 0.3 A 4 ILE CG1 C 13 29.270 0.3 A 4 ILE CG2 C 13 17.865 0.3 A 4 ILE N N 15 116.394 0.5 A 5 GLU H H 1 7.394 0.05 A 5 GLU HA H 1 3.773 0.05 A 5 GLU HBx H 1 1.868 0.05 A 5 GLU HBy H 1 2.206 0.05 A 5 GLU HGx H 1 2.281 0.05 A 5 GLU HGy H 1 2.420 0.05 A 5 GLU C C 13 177.554 0.3 A 5 GLU CA C 13 59.598 0.3 A 5 GLU CB C 13 28.852 0.3 A 5 GLU CG C 13 34.806 0.3 A 5 GLU N N 15 118.842 0.5 A 6 LEU H H 1 7.885 0.05 A 6 LEU HA H 1 3.916 0.05 A 6 LEU HBx H 1 1.642 0.05 A 6 LEU HBy H 1 1.673 0.05 A 6 LEU HDx% H 1 0.845 0.05 A 6 LEU HDy% H 1 0.845 0.05 A 6 LEU HG H 1 2.018 0.05 A 6 LEU C C 13 177.832 0.3 A 6 LEU CA C 13 58.013 0.3 A 6 LEU CB C 13 41.610 0.3 A 6 LEU N N 15 117.867 0.5 A 7 LEU H H 1 8.328 0.05 A 7 LEU HA H 1 3.890 0.05 A 7 LEU HBy H 1 1.895 0.05 A 7 LEU HDx% H 1 0.832 0.05 A 7 LEU HDy% H 1 0.832 0.05 A 7 LEU HG H 1 1.530 0.05 A 7 LEU C C 13 178.135 0.3 A 7 LEU CA C 13 57.912 0.3 A 7 LEU CB C 13 41.467 0.3 A 7 LEU N N 15 117.636 0.5 A 8 ILE H H 1 8.054 0.05 A 8 ILE HA H 1 3.569 0.05 A 8 ILE HB H 1 2.039 0.05 A 8 ILE HD1% H 1 0.792 0.05 A 8 ILE HG1x H 1 1.016 0.05 A 8 ILE HG1y H 1 1.881 0.05 A 8 ILE HG2% H 1 0.869 0.05 A 8 ILE C C 13 177.150 0.3 A 8 ILE CA C 13 65.202 0.3 A 8 ILE CB C 13 37.215 0.3 A 8 ILE CD1 C 13 13.211 0.3 A 8 ILE CG1 C 13 29.381 0.3 A 8 ILE CG2 C 13 17.201 0.3 A 8 ILE N N 15 117.838 0.5 A 9 VAL H H 1 8.026 0.05 A 9 VAL HA H 1 3.482 0.05 A 9 VAL HB H 1 2.289 0.05 A 9 VAL HGx% H 1 1.041 0.05 A 9 VAL HGy% H 1 0.859 0.05 A 9 VAL C C 13 177.352 0.3 A 9 VAL CA C 13 67.632 0.3 A 9 VAL CB C 13 31.282 0.3 A 9 VAL CG1 C 13 23.546 0.3 A 9 VAL CG2 C 13 21.333 0.3 A 9 VAL N N 15 118.866 0.5 A 10 VAL H H 1 8.399 0.05 A 10 VAL HA H 1 3.443 0.05 A 10 VAL HB H 1 2.188 0.05 A 10 VAL HGx% H 1 0.984 0.05 A 10 VAL HGy% H 1 0.852 0.05 A 10 VAL C C 13 176.948 0.3 A 10 VAL CA C 13 67.134 0.3 A 10 VAL CB C 13 30.978 0.3 A 10 VAL CG1 C 13 23.251 0.3 A 10 VAL CG2 C 13 21.479 0.3 A 10 VAL N N 15 118.095 0.5 A 11 ALA H H 1 8.327 0.05 A 11 ALA HA H 1 3.921 0.05 A 11 ALA HB% H 1 1.425 0.05 A 11 ALA C C 13 178.816 0.3 A 11 ALA CA C 13 55.340 0.3 A 11 ALA CB C 13 17.668 0.3 A 11 ALA N N 15 121.128 0.5 A 12 ILE H H 1 8.275 0.05 A 12 ILE HA H 1 3.562 0.05 A 12 ILE HB H 1 2.039 0.05 A 12 ILE HD1% H 1 0.766 0.05 A 12 ILE HG1y H 1 1.919 0.05 A 12 ILE HG1x H 1 1.006 0.05 A 12 ILE HG2% H 1 0.833 0.05 A 12 ILE C C 13 177.403 0.3 A 12 ILE CA C 13 65.303 0.3 A 12 ILE CB C 13 37.357 0.3 A 12 ILE CD1 C 13 13.210 0.3 A 12 ILE CG1 C 13 29.317 0.3 A 12 ILE CG2 C 13 17.190 0.3 A 12 ILE N N 15 116.336 0.5 A 13 ILE H H 1 8.313 0.05 A 13 ILE HA H 1 3.548 0.05 A 13 ILE HB H 1 1.980 0.05 A 13 ILE HD1% H 1 0.733 0.05 A 13 ILE HG1x H 1 1.055 0.05 A 13 ILE HG1y H 1 1.806 0.05 A 13 ILE HG2% H 1 0.818 0.05 A 13 ILE C C 13 177.352 0.3 A 13 ILE CA C 13 65.410 0.3 A 13 ILE CB C 13 36.772 0.3 A 13 ILE CD1 C 13 12.672 0.3 A 13 ILE CG1 C 13 29.507 0.3 A 13 ILE CG2 C 13 17.419 0.3 A 13 ILE N N 15 118.949 0.5 A 14 GLY H H 1 8.656 0.05 A 14 GLY HA2 H 1 3.596 0.05 A 14 GLY HA3 H 1 3.596 0.05 A 14 GLY C C 13 174.576 0.3 A 14 GLY CA C 13 47.509 0.3 A 14 GLY N N 15 106.566 0.5 A 15 ILE H H 1 8.310 0.05 A 15 ILE HA H 1 3.626 0.05 A 15 ILE HB H 1 1.953 0.05 A 15 ILE HD1% H 1 0.764 0.05 A 15 ILE C C 13 177.226 0.3 A 15 ILE CA C 13 65.302 0.3 A 15 ILE CB C 13 37.740 0.3 A 15 ILE CD1 C 13 13.220 0.3 A 15 ILE CG1 C 13 29.450 0.3 A 15 ILE CG2 C 13 17.248 0.3 A 15 ILE N N 15 121.111 0.5 A 16 LEU H H 1 8.250 0.05 A 16 LEU HA H 1 3.966 0.05 A 16 LEU HBx H 1 1.367 0.05 A 16 LEU HBy H 1 1.367 0.05 A 16 LEU HDx% H 1 0.789 0.05 A 16 LEU HDy% H 1 0.787 0.05 A 16 LEU HG H 1 1.933 0.05 A 16 LEU C C 13 178.665 0.3 A 16 LEU CA C 13 57.709 0.3 A 16 LEU CB C 13 41.500 0.3 A 16 LEU CD1 C 13 25.394 0.3 A 16 LEU CD2 C 13 22.830 0.3 A 16 LEU CG C 13 26.699 0.3 A 16 LEU N N 15 117.956 0.5 A 17 ALA H H 1 8.640 0.05 A 17 ALA HA H 1 3.916 0.05 A 17 ALA HB% H 1 1.379 0.05 A 17 ALA C C 13 178.160 0.3 A 17 ALA CA C 13 55.059 0.3 A 17 ALA CB C 13 17.853 0.3 A 17 ALA N N 15 119.727 0.5 A 18 ALA H H 1 7.983 0.05 A 18 ALA HA H 1 4.040 0.05 A 18 ALA HB% H 1 1.464 0.05 A 18 ALA C C 13 178.841 0.3 A 18 ALA CA C 13 54.446 0.3 A 18 ALA CB C 13 18.169 0.3 A 18 ALA N N 15 117.791 0.5 A 19 ILE H H 1 7.701 0.05 A 19 ILE HA H 1 3.988 0.05 A 19 ILE HB H 1 1.977 0.05 A 19 ILE HD1% H 1 0.804 0.05 A 19 ILE HG1x H 1 1.248 0.05 A 19 ILE HG1y H 1 1.766 0.05 A 19 ILE HG2% H 1 0.904 0.05 A 19 ILE C C 13 176.696 0.3 A 19 ILE CA C 13 63.024 0.3 A 19 ILE CB C 13 38.555 0.3 A 19 ILE CD1 C 13 13.810 0.3 A 19 ILE CG1 C 13 27.876 0.3 A 19 ILE CG2 C 13 17.406 0.3 A 19 ILE N N 15 112.844 0.5 A 20 ALA H H 1 8.086 0.05 A 20 ALA HA H 1 4.271 0.05 A 20 ALA HB% H 1 1.442 0.05 A 20 ALA CA C 13 53.551 0.3 A 20 ALA CB C 13 19.883 0.3 A 20 ALA N N 15 120.774 0.5 A 21 ILE H H 1 8.056 0.05 A 21 ILE HA H 1 4.224 0.05 A 21 ILE HB H 1 2.176 0.05 A 21 ILE HD1% H 1 0.858 0.05 A 21 ILE HG1x H 1 1.201 0.05 A 21 ILE HG1y H 1 1.767 0.05 A 21 ILE HG2% H 1 0.917 0.05 A 21 ILE CA C 13 62.626 0.3 A 21 ILE CB C 13 36.834 0.3 A 21 ILE CD1 C 13 13.192 0.3 A 21 ILE CG1 C 13 28.575 0.3 A 21 ILE CG2 C 13 17.407 0.3 A 21 ILE N N 15 117.619 0.5 A 22 PRO HA H 1 4.384 0.05 A 22 PRO HBy H 1 2.368 0.05 A 22 PRO HBx H 1 1.891 0.05 A 22 PRO HDx H 1 3.727 0.05 A 22 PRO HDy H 1 3.855 0.05 A 22 PRO HGx H 1 1.991 0.05 A 22 PRO HGy H 1 2.150 0.05 A 22 PRO CA C 13 65.209 0.3 A 22 PRO CB C 13 31.528 0.3 A 22 PRO CD C 13 50.750 0.3 A 22 PRO CG C 13 27.802 0.3 A 23 GLN H H 1 8.123 0.05 A 23 GLN HA H 1 4.200 0.05 A 23 GLN HBx H 1 1.988 0.05 A 23 GLN HBy H 1 1.988 0.05 A 23 GLN HE2x H 1 7.254 0.05 A 23 GLN HGx H 1 2.307 0.05 A 23 GLN HGy H 1 2.307 0.05 A 23 GLN C C 13 176.898 0.3 A 23 GLN CA C 13 57.426 0.3 A 23 GLN CB C 13 28.037 0.3 A 23 GLN N N 15 115.494 0.5 A 24 PHE H H 1 8.068 0.05 A 24 PHE HA H 1 4.672 0.05 A 24 PHE HBx H 1 3.176 0.05 A 24 PHE HBy H 1 3.353 0.05 A 24 PHE C C 13 176.494 0.3 A 24 PHE CA C 13 58.317 0.3 A 24 PHE CB C 13 38.912 0.3 A 24 PHE N N 15 118.541 0.5 A 25 SER H H 1 8.081 0.05 A 25 SER HA H 1 4.278 0.05 A 25 SER HBx H 1 3.968 0.05 A 25 SER HBy H 1 3.968 0.05 A 25 SER C C 13 175.308 0.3 A 25 SER CA C 13 60.288 0.3 A 25 SER CB C 13 63.278 0.3 A 25 SER N N 15 115.228 0.5 A 26 ALA H H 1 8.151 0.05 A 26 ALA HA H 1 4.196 0.05 A 26 ALA HB% H 1 1.325 0.05 A 26 ALA C C 13 178.387 0.3 A 26 ALA CA C 13 53.649 0.3 A 26 ALA CB C 13 18.468 0.3 A 26 ALA N N 15 123.792 0.5 A 27 TYR H H 1 7.830 0.05 A 27 TYR HA H 1 4.380 0.05 A 27 TYR HBy H 1 3.087 0.05 A 27 TYR HBx H 1 2.986 0.05 A 27 TYR C C 13 176.090 0.3 A 27 TYR CA C 13 58.961 0.3 A 27 TYR CB C 13 38.370 0.3 A 27 TYR N N 15 116.956 0.5 A 28 ARG H H 1 7.814 0.05 A 28 ARG HA H 1 4.134 0.05 A 28 ARG HBx H 1 1.817 0.05 A 28 ARG HBy H 1 1.817 0.05 A 28 ARG HDx H 1 3.192 0.05 A 28 ARG HDy H 1 3.192 0.05 A 28 ARG HGx H 1 1.611 0.05 A 28 ARG HGy H 1 1.611 0.05 A 28 ARG C C 13 176.595 0.3 A 28 ARG CA C 13 57.237 0.3 A 28 ARG CB C 13 30.472 0.3 A 28 ARG N N 15 119.962 0.5 A 29 VAL H H 1 7.819 0.05 A 29 VAL HA H 1 3.966 0.05 A 29 VAL HB H 1 2.112 0.05 A 29 VAL HGx% H 1 0.968 0.05 A 29 VAL HGy% H 1 0.968 0.05 A 29 VAL C C 13 176.545 0.3 A 29 VAL CA C 13 63.457 0.3 A 29 VAL CB C 13 32.216 0.3 A 29 VAL CG1 C 13 21.114 0.3 A 29 VAL CG2 C 13 21.141 0.3 A 29 VAL N N 15 118.483 0.5 A 30 LYS H H 1 7.962 0.05 A 30 LYS HA H 1 4.199 0.05 A 30 LYS HBx H 1 1.783 0.05 A 30 LYS HBy H 1 1.783 0.05 A 30 LYS HDx H 1 1.681 0.05 A 30 LYS HDy H 1 1.681 0.05 A 30 LYS HEx H 1 2.962 0.05 A 30 LYS HEy H 1 2.962 0.05 A 30 LYS HGy H 1 1.434 0.05 A 30 LYS HGx H 1 1.409 0.05 A 30 LYS CA C 13 57.014 0.3 A 30 LYS CB C 13 32.637 0.3 A 30 LYS CD C 13 29.034 0.3 A 30 LYS CE C 13 42.014 0.3 A 30 LYS CG C 13 24.850 0.3 A 30 LYS N N 15 122.256 0.5 A 31 ALA H H 1 8.053 0.05 A 31 ALA HA H 1 4.208 0.05 A 31 ALA HB% H 1 1.315 0.05 A 31 ALA C C 13 177.680 0.3 A 31 ALA CA C 13 52.849 0.3 A 31 ALA CB C 13 19.030 0.3 A 31 ALA N N 15 122.625 0.5 A 32 TYR H H 1 8.016 0.05 A 32 TYR HA H 1 4.448 0.05 A 32 TYR HBy H 1 3.064 0.05 A 32 TYR HBx H 1 2.978 0.05 A 32 TYR C C 13 175.686 0.3 A 32 TYR CA C 13 58.576 0.3 A 32 TYR CB C 13 38.471 0.3 A 32 TYR N N 15 118.444 0.5 A 33 ASN H H 1 8.174 0.05 A 33 ASN HA H 1 4.653 0.05 A 33 ASN HBy H 1 2.845 0.05 A 33 ASN HBx H 1 2.778 0.05 A 33 ASN HD2x H 1 7.097 0.05 A 33 ASN C C 13 175.510 0.3 A 33 ASN CA C 13 53.558 0.3 A 33 ASN CB C 13 38.791 0.3 A 33 ASN N N 15 119.421 0.5 A 34 SER H H 1 8.143 0.05 A 34 SER HA H 1 4.359 0.05 A 34 SER HBx H 1 3.890 0.05 A 34 SER HBy H 1 3.966 0.05 A 34 SER C C 13 174.727 0.3 A 34 SER CA C 13 59.127 0.3 A 34 SER CB C 13 63.582 0.3 A 34 SER N N 15 116.151 0.5 A 35 ALA H H 1 8.204 0.05 A 35 ALA HA H 1 4.337 0.05 A 35 ALA HB% H 1 1.421 0.05 A 35 ALA C C 13 177.807 0.3 A 35 ALA CA C 13 53.051 0.3 A 35 ALA CB C 13 18.962 0.3 A 35 ALA N N 15 125.119 0.5 A 36 ALA H H 1 8.134 0.05 A 36 ALA HA H 1 4.290 0.05 A 36 ALA HB% H 1 1.414 0.05 A 36 ALA C C 13 178.059 0.3 A 36 ALA CA C 13 52.950 0.3 A 36 ALA CB C 13 19.030 0.3 A 36 ALA N N 15 121.508 0.5 A 37 SER H H 1 8.071 0.05 A 37 SER HA H 1 4.365 0.05 A 37 SER HBx H 1 3.918 0.05 A 37 SER HBy H 1 3.963 0.05 A 37 SER C C 13 175.384 0.3 A 37 SER CA C 13 59.127 0.3 A 37 SER CB C 13 63.379 0.3 A 37 SER N N 15 113.501 0.5 A 38 SER H H 1 8.170 0.05 A 38 SER HA H 1 4.371 0.05 A 38 SER HBx H 1 3.890 0.05 A 38 SER HBy H 1 3.958 0.05 A 38 SER C C 13 174.828 0.3 A 38 SER CA C 13 59.485 0.3 A 38 SER CB C 13 63.379 0.3 A 38 SER N N 15 117.437 0.5 A 39 ASP H H 1 8.216 0.05 A 39 ASP HA H 1 4.596 0.05 A 39 ASP HBx H 1 2.753 0.05 A 39 ASP HBy H 1 2.753 0.05 A 39 ASP C C 13 177.226 0.3 A 39 ASP CA C 13 55.191 0.3 A 39 ASP CB C 13 40.395 0.3 A 39 ASP N N 15 121.556 0.5 A 40 LEU H H 1 8.265 0.05 A 40 LEU HA H 1 4.182 0.05 A 40 LEU HBx H 1 1.760 0.05 A 40 LEU HBy H 1 1.760 0.05 A 40 LEU HDx% H 1 0.925 0.05 A 40 LEU HDy% H 1 0.859 0.05 A 40 LEU HG H 1 1.650 0.05 A 40 LEU C C 13 178.109 0.3 A 40 LEU CA C 13 56.702 0.3 A 40 LEU CB C 13 41.508 0.3 A 40 LEU CD1 C 13 24.786 0.3 A 40 LEU CD2 C 13 24.046 0.3 A 40 LEU CG C 13 27.122 0.3 A 40 LEU N N 15 121.423 0.5 A 41 ARG H H 1 8.109 0.05 A 41 ARG HA H 1 4.060 0.05 A 41 ARG HBx H 1 1.925 0.05 A 41 ARG HBy H 1 1.925 0.05 A 41 ARG HDx H 1 3.232 0.05 A 41 ARG HDy H 1 3.232 0.05 A 41 ARG HGx H 1 1.657 0.05 A 41 ARG HGy H 1 1.657 0.05 A 41 ARG C C 13 178.160 0.3 A 41 ARG CA C 13 58.926 0.3 A 41 ARG CB C 13 29.763 0.3 A 41 ARG N N 15 119.425 0.5 A 42 ASN H H 1 8.239 0.05 A 42 ASN HA H 1 4.623 0.05 A 42 ASN HBx H 1 2.896 0.05 A 42 ASN HBy H 1 2.896 0.05 A 42 ASN HD2x H 1 6.937 0.05 A 42 ASN HD2y H 1 7.727 0.05 A 42 ASN C C 13 177.049 0.3 A 42 ASN CA C 13 54.671 0.3 A 42 ASN CB C 13 37.965 0.3 A 42 ASN N N 15 117.770 0.5 A 42 ASN ND2 N 15 112.504 0.5 A 43 LEU H H 1 8.048 0.05 A 43 LEU HA H 1 4.158 0.05 A 43 LEU HBx H 1 1.744 0.05 A 43 LEU HBy H 1 1.744 0.05 A 43 LEU HDx% H 1 0.851 0.05 A 43 LEU HDy% H 1 0.851 0.05 A 43 LEU HG H 1 1.798 0.05 A 43 LEU C C 13 177.504 0.3 A 43 LEU CA C 13 57.507 0.3 A 43 LEU CB C 13 41.739 0.3 A 43 LEU CD1 C 13 24.046 0.3 A 43 LEU CG C 13 27.065 0.3 A 43 LEU N N 15 122.159 0.5 A 44 LYS H H 1 8.212 0.05 A 44 LYS HA H 1 3.896 0.05 A 44 LYS HBx H 1 1.858 0.05 A 44 LYS HBy H 1 2.032 0.05 A 44 LYS HDx H 1 1.686 0.05 A 44 LYS HDy H 1 1.686 0.05 A 44 LYS HGx H 1 1.398 0.05 A 44 LYS HGy H 1 1.479 0.05 A 44 LYS C C 13 178.059 0.3 A 44 LYS CA C 13 60.139 0.3 A 44 LYS CB C 13 32.396 0.3 A 44 LYS CD C 13 29.549 0.3 A 44 LYS CE C 13 41.948 0.3 A 44 LYS CG C 13 25.039 0.3 A 44 LYS N N 15 119.015 0.5 A 45 THR H H 1 8.080 0.05 A 45 THR HA H 1 4.032 0.05 A 45 THR HB H 1 4.260 0.05 A 45 THR HG2% H 1 1.274 0.05 A 45 THR C C 13 176.469 0.3 A 45 THR CA C 13 65.303 0.3 A 45 THR CB C 13 68.645 0.3 A 45 THR CG2 C 13 21.857 0.3 A 45 THR N N 15 113.770 0.5 A 46 ALA H H 1 8.048 0.05 A 46 ALA HA H 1 4.173 0.05 A 46 ALA HB% H 1 1.507 0.05 A 46 ALA C C 13 179.977 0.3 A 46 ALA CA C 13 54.880 0.3 A 46 ALA CB C 13 18.228 0.3 A 46 ALA N N 15 124.926 0.5 A 47 LEU H H 1 8.257 0.05 A 47 LEU HA H 1 4.088 0.05 A 47 LEU HBx H 1 1.911 0.05 A 47 LEU HBy H 1 1.911 0.05 A 47 LEU HDx% H 1 0.857 0.05 A 47 LEU HDy% H 1 0.857 0.05 A 47 LEU HG H 1 1.531 0.05 A 47 LEU C C 13 177.832 0.3 A 47 LEU CA C 13 57.388 0.3 A 47 LEU CB C 13 41.812 0.3 A 47 LEU N N 15 118.030 0.5 A 48 GLU H H 1 8.282 0.05 A 48 GLU HA H 1 4.053 0.05 A 48 GLU HBy H 1 2.225 0.05 A 48 GLU HBx H 1 2.123 0.05 A 48 GLU HGy H 1 2.626 0.05 A 48 GLU HGx H 1 2.395 0.05 A 48 GLU C C 13 178.690 0.3 A 48 GLU CA C 13 58.823 0.3 A 48 GLU CB C 13 28.649 0.3 A 48 GLU CG C 13 34.649 0.3 A 48 GLU N N 15 117.324 0.5 A 49 SER H H 1 8.059 0.05 A 49 SER HA H 1 4.330 0.05 A 49 SER HBx H 1 3.886 0.05 A 49 SER HBy H 1 3.976 0.05 A 49 SER C C 13 175.283 0.3 A 49 SER CA C 13 60.589 0.3 A 49 SER CB C 13 63.076 0.3 A 49 SER N N 15 114.057 0.5 A 50 ALA H H 1 7.776 0.05 A 50 ALA HA H 1 4.150 0.05 A 50 ALA HB% H 1 1.231 0.05 A 50 ALA C C 13 178.034 0.3 A 50 ALA CA C 13 53.760 0.3 A 50 ALA CB C 13 18.524 0.3 A 50 ALA N N 15 123.125 0.5 A 51 PHE H H 1 7.782 0.05 A 51 PHE HA H 1 4.590 0.05 A 51 PHE HBx H 1 2.946 0.05 A 51 PHE HBy H 1 3.314 0.05 A 51 PHE C C 13 175.560 0.3 A 51 PHE CA C 13 57.941 0.3 A 51 PHE CB C 13 39.306 0.3 A 51 PHE N N 15 114.586 0.5 A 52 ALA H H 1 7.731 0.05 A 52 ALA HA H 1 4.333 0.05 A 52 ALA HB% H 1 1.485 0.05 A 52 ALA C C 13 177.529 0.3 A 52 ALA CA C 13 52.950 0.3 A 52 ALA CB C 13 19.334 0.3 A 52 ALA N N 15 122.550 0.5 A 53 ASP H H 1 8.230 0.05 A 53 ASP HA H 1 4.664 0.05 A 53 ASP HBy H 1 2.836 0.05 A 53 ASP HBx H 1 2.759 0.05 A 53 ASP C C 13 175.686 0.3 A 53 ASP CA C 13 53.861 0.3 A 53 ASP CB C 13 40.118 0.3 A 53 ASP N N 15 118.118 0.5 A 54 ASP H H 1 8.217 0.05 A 54 ASP HA H 1 4.664 0.05 A 54 ASP HBx H 1 2.779 0.05 A 54 ASP HBy H 1 2.779 0.05 A 54 ASP CA C 13 53.861 0.3 A 54 ASP CB C 13 39.888 0.3 A 54 ASP N N 15 119.502 0.5 A 55 GLN H H 1 8.160 0.05 A 55 GLN HA H 1 4.323 0.05 A 55 GLN HBx H 1 1.946 0.05 A 55 GLN HBy H 1 2.085 0.05 A 55 GLN HE2x H 1 7.358 0.05 A 55 GLN HGx H 1 2.275 0.05 A 55 GLN HGy H 1 2.275 0.05 A 55 GLN C C 13 175.712 0.3 A 55 GLN CA C 13 55.812 0.3 A 55 GLN CB C 13 29.358 0.3 A 55 GLN N N 15 119.498 0.5 A 56 THR H H 1 7.999 0.05 A 56 THR HA H 1 4.217 0.05 A 56 THR HB H 1 4.047 0.05 A 56 THR HG2% H 1 1.063 0.05 A 56 THR C C 13 173.642 0.3 A 56 THR CA C 13 61.962 0.3 A 56 THR CB C 13 69.556 0.3 A 56 THR N N 15 114.937 0.5 A 57 TYR H H 1 8.113 0.05 A 57 TYR HA H 1 4.837 0.05 A 57 TYR HBx H 1 2.808 0.05 A 57 TYR HBy H 1 3.071 0.05 A 57 TYR CA C 13 55.439 0.3 A 57 TYR CB C 13 38.268 0.3 A 57 TYR N N 15 122.914 0.5 A 58 PRO HA H 1 4.824 0.05 A 58 PRO HDy H 1 3.799 0.05 A 58 PRO HDx H 1 3.589 0.05 A 58 PRO CA C 13 62.976 0.3 A 58 PRO CB C 13 30.788 0.3 A 58 PRO CD C 13 50.396 0.3 A 58 PRO CG C 13 27.094 0.3 A 59 PRO HA H 1 4.482 0.05 A 59 PRO HBx H 1 2.316 0.05 A 59 PRO HBy H 1 2.316 0.05 A 59 PRO HDy H 1 3.797 0.05 A 59 PRO HDx H 1 3.650 0.05 A 59 PRO HGx H 1 2.043 0.05 A 59 PRO HGy H 1 2.043 0.05 A 59 PRO C C 13 176.873 0.3 A 59 PRO CA C 13 62.911 0.3 A 59 PRO CB C 13 31.991 0.3 A 59 PRO CD C 13 49.783 0.3 A 59 PRO CG C 13 27.339 0.3 A 60 GLU H H 1 8.410 0.05 A 60 GLU HA H 1 4.373 0.05 A 60 GLU HBx H 1 1.991 0.05 A 60 GLU HBy H 1 2.154 0.05 A 60 GLU HGy H 1 2.432 0.05 A 60 GLU HGx H 1 2.302 0.05 A 60 GLU C C 13 175.459 0.3 A 60 GLU CA C 13 55.988 0.3 A 60 GLU CB C 13 29.662 0.3 A 60 GLU N N 15 120.610 0.5 A 61 SER H H 1 7.935 0.05 A 61 SER HA H 1 4.283 0.05 A 61 SER HBx H 1 3.851 0.05 A 61 SER HBy H 1 3.851 0.05 A 61 SER CA C 13 59.532 0.3 A 61 SER CB C 13 64.594 0.3 A 61 SER N N 15 121.573 0.5 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 45 THR H A 45 THR HB 1.0 0.0 3.24 2 2 A 16 LEU HG A 17 ALA H 1.0 0.0 4.44 3 3 A 11 ALA HB% A 14 GLY H 1.0 0.0 4.80 4 4 A 14 GLY H A 13 ILE HG1y 1.0 0.0 6.00 5 5 A 37 SER H A 37 SER HBy 1.0 0.0 4.13 6 6 A 36 ALA H A 34 SER HBy 1.0 0.0 5.81 7 7 A 36 ALA H A 34 SER HBx 1.0 0.0 5.81 8 8 A 37 SER H A 39 ASP HBx 1.0 0.0 6.00 9 8 A 37 SER H A 39 ASP HBy 1.0 0.0 6.00 10 9 A 57 TYR H A 58 PRO HDx 1.0 0.0 6.00 11 10 A 32 TYR H A 28 ARG HBx 1.0 0.0 6.00 12 10 A 28 ARG HBy A 32 TYR H 1.0 0.0 6.00 13 11 A 9 VAL HB A 11 ALA H 1.0 0.0 5.91 14 12 A 46 ALA H A 47 LEU HBx 1.0 0.0 4.62 15 12 A 46 ALA H A 47 LEU HBy 1.0 0.0 4.62 16 13 A 38 SER H A 41 ARG HBx 1.0 0.0 5.68 17 13 A 38 SER H A 41 ARG HBy 1.0 0.0 5.68 18 14 A 17 ALA H A 15 ILE H 1.0 0.0 4.80 19 15 A 17 ALA H A 18 ALA HB% 1.0 0.0 4.87 20 16 A 17 ALA H A 20 ALA HB% 1.0 0.0 5.20 21 17 A 43 LEU H A 44 LYS HA 1.0 0.0 5.52 22 18 A 43 LEU H A 41 ARG HA 1.0 0.0 4.59 23 19 A 43 LEU H A 41 ARG HBx 1.0 0.0 4.97 24 19 A 41 ARG HBy A 43 LEU H 1.0 0.0 4.97 25 20 A 18 ALA H A 19 ILE HG1y 1.0 0.0 5.61 26 21 A 46 ALA H A 43 LEU HBx 1.0 0.0 6.00 27 21 A 46 ALA H A 43 LEU HBy 1.0 0.0 6.00 28 22 A 41 ARG HA A 40 LEU H 1.0 0.0 5.54 29 23 A 9 VAL HB A 8 ILE H 1.0 0.0 5.27 30 24 A 2 THR H A 5 GLU HA 1.0 0.0 6.00 31 25 A 57 TYR H A 58 PRO HDy 1.0 0.0 6.00 32 26 A 46 ALA HB% A 50 ALA H 1.0 0.0 5.26 33 27 A 50 ALA H A 52 ALA HB% 1.0 0.0 5.62 34 28 A 17 ALA HB% A 19 ILE H 1.0 0.0 4.94 35 29 A 2 THR H A 5 GLU H 1.0 0.0 5.11 36 30 A 52 ALA H A 53 ASP HBy 1.0 0.0 6.00 37 31 A 52 ALA H A 53 ASP HBx 1.0 0.0 6.00 38 32 A 32 TYR H A 29 VAL HGx% 1.0 0.0 5.45 39 32 A 32 TYR H A 29 VAL HGy% 1.0 0.0 5.45 40 33 A 26 ALA H A 27 TYR HBy 1.0 0.0 5.59 41 34 A 45 THR H A 43 LEU HDx% 1.0 0.0 6.00 42 34 A 45 THR H A 43 LEU HDy% 1.0 0.0 6.00 43 35 A 45 THR H A 47 LEU HDx% 1.0 0.0 6.00 44 35 A 45 THR H A 47 LEU HDy% 1.0 0.0 6.00 45 36 A 49 SER H A 47 LEU HDx% 1.0 0.0 6.00 46 36 A 47 LEU HDy% A 49 SER H 1.0 0.0 6.00 47 37 A 49 SER H A 48 GLU HBy 1.0 0.0 4.22 48 38 A 49 SER H A 48 GLU HBx 1.0 0.0 4.22 49 39 A 51 PHE H A 47 LEU HDx% 1.0 0.0 6.00 50 39 A 47 LEU HDy% A 51 PHE H 1.0 0.0 6.00 51 40 A 45 THR H A 44 LYS HDx 1.0 0.0 5.86 52 40 A 45 THR H A 44 LYS HDy 1.0 0.0 5.86 53 41 A 32 TYR H A 35 ALA H 1.0 0.0 6.00 54 42 A 45 THR H A 43 LEU HBx 1.0 0.0 4.88 55 42 A 45 THR H A 43 LEU HBy 1.0 0.0 4.88 56 43 A 56 THR H A 55 GLN HGx 1.0 0.0 4.73 57 43 A 55 GLN HGy A 56 THR H 1.0 0.0 4.73 58 44 A 23 GLN H A 26 ALA HB% 1.0 0.0 6.00 59 45 A 26 ALA HB% A 25 SER H 1.0 0.0 6.00 60 46 A 25 SER H A 21 ILE HG1y 1.0 0.0 6.00 61 47 A 2 THR H A 6 LEU H 1.0 0.0 5.85 62 48 A 18 ALA H A 21 ILE HD1% 1.0 0.0 4.09 63 49 A 45 THR H A 44 LYS HBx 1.0 0.0 4.30 64 50 A 39 ASP H A 42 ASN HBx 1.0 0.0 5.05 65 50 A 39 ASP H A 42 ASN HBy 1.0 0.0 5.05 66 51 A 7 LEU H A 3 LEU HBx 1.0 0.0 5.15 67 51 A 3 LEU HBy A 7 LEU H 1.0 0.0 5.15 68 52 A 7 LEU H A 7 LEU HG 1.0 0.0 4.65 69 53 A 46 ALA HB% A 48 GLU H 1.0 0.0 5.09 70 54 A 23 GLN H A 23 GLN HBx 1.0 0.0 4.13 71 54 A 23 GLN H A 23 GLN HBy 1.0 0.0 4.13 72 55 A 59 PRO HA A 61 SER H 1.0 0.0 6.00 73 56 A 7 LEU H A 6 LEU HG 1.0 0.0 4.21 74 57 A 18 ALA H A 19 ILE HG1x 1.0 0.0 5.82 75 58 A 6 LEU H A 2 THR HG2% 1.0 0.0 6.00 76 59 A 8 ILE H A 6 LEU HBy 1.0 0.0 6.00 77 60 A 49 SER H A 46 ALA HA 1.0 0.0 4.00 78 61 A 45 THR H A 44 LYS HBy 1.0 0.0 3.68 79 62 A 6 LEU H A 3 LEU HBx 1.0 0.0 5.80 80 62 A 6 LEU H A 3 LEU HBy 1.0 0.0 5.80 81 63 A 45 THR H A 42 ASN HBx 1.0 0.0 5.90 82 63 A 45 THR H A 42 ASN HBy 1.0 0.0 5.90 83 64 A 51 PHE H A 51 PHE HBx 1.0 0.0 3.71 84 65 A 6 LEU H A 5 GLU HGx 1.0 0.0 5.48 85 66 A 16 LEU HG A 16 LEU H 1.0 0.0 2.83 86 67 A 46 ALA HB% A 47 LEU H 1.0 0.0 3.42 87 68 A 42 ASN H A 41 ARG HGx 1.0 0.0 6.00 88 68 A 41 ARG HGy A 42 ASN H 1.0 0.0 6.00 89 69 A 16 LEU H A 19 ILE HG2% 1.0 0.0 5.55 90 70 A 47 LEU H A 47 LEU HDx% 1.0 0.0 3.69 91 70 A 47 LEU HDy% A 47 LEU H 1.0 0.0 3.69 92 71 A 5 GLU H A 8 ILE HD1% 1.0 0.0 4.17 93 72 A 5 GLU H A 4 ILE HD1% 1.0 0.0 4.59 94 73 A 5 GLU H A 2 THR HG2% 1.0 0.0 4.90 95 74 A 51 PHE H A 48 GLU HA 1.0 0.0 4.89 96 75 A 45 THR H A 46 ALA HB% 1.0 0.0 5.45 97 76 A 51 PHE H A 47 LEU HA 1.0 0.0 4.48 98 77 A 51 PHE H A 49 SER HA 1.0 0.0 4.78 99 78 A 31 ALA HB% A 33 ASN H 1.0 0.0 5.03 100 79 A 33 ASN H A 36 ALA HB% 1.0 0.0 4.35 101 80 A 55 GLN H A 55 GLN HGx 1.0 0.0 4.17 102 80 A 55 GLN HGy A 55 GLN H 1.0 0.0 4.17 103 81 A 17 ALA H A 13 ILE HG2% 1.0 0.0 4.74 104 82 A 17 ALA H A 16 LEU HDy% 1.0 0.0 5.07 105 83 A 17 ALA H A 19 ILE HG2% 1.0 0.0 6.00 106 84 A 9 VAL H A 6 LEU HBx 1.0 0.0 6.00 107 85 A 9 VAL H A 6 LEU HBy 1.0 0.0 6.00 108 86 A 5 GLU H A 6 LEU HA 1.0 0.0 5.50 109 87 A 49 SER H A 51 PHE H 1.0 0.0 4.85 110 88 A 5 GLU H A 7 LEU H 1.0 0.0 5.36 111 89 A 8 ILE H A 9 VAL HA 1.0 0.0 5.80 112 90 A 8 ILE H A 5 GLU H 1.0 0.0 5.11 113 91 A 51 PHE H A 53 ASP H 1.0 0.0 4.27 114 92 A 56 THR H A 54 ASP HA 1.0 0.0 6.00 115 93 A 17 ALA H A 19 ILE HG1y 1.0 0.0 4.40 116 94 A 20 ALA HA A 24 PHE H 1.0 0.0 4.02 117 95 A 17 ALA H A 16 LEU HBx 1.0 0.0 3.63 118 95 A 17 ALA H A 16 LEU HBy 1.0 0.0 3.63 119 96 A 40 LEU H A 40 LEU HDy% 1.0 0.0 4.21 120 97 A 18 ALA H A 15 ILE HB 1.0 0.0 5.82 121 98 A 43 LEU H A 43 LEU HDx% 1.0 0.0 3.72 122 98 A 43 LEU H A 43 LEU HDy% 1.0 0.0 3.72 123 99 A 46 ALA H A 47 LEU H 1.0 0.0 2.83 124 100 A 50 ALA H A 47 LEU HDx% 1.0 0.0 5.01 125 100 A 50 ALA H A 47 LEU HDy% 1.0 0.0 5.01 126 101 A 28 ARG HA A 30 LYS H 1.0 0.0 5.82 127 102 A 11 ALA HB% A 13 ILE H 1.0 0.0 4.76 128 103 A 26 ALA HB% A 30 LYS H 1.0 0.0 5.61 129 104 A 31 ALA HB% A 30 LYS H 1.0 0.0 5.94 130 105 A 45 THR H A 45 THR HG2% 1.0 0.0 3.82 131 106 A 9 VAL H A 10 VAL HB 1.0 0.0 6.00 132 107 A 42 ASN H A 41 ARG HDx 1.0 0.0 5.98 133 107 A 42 ASN H A 41 ARG HDy 1.0 0.0 5.98 134 108 A 6 LEU HG A 4 ILE H 1.0 0.0 6.00 135 109 A 42 ASN H A 43 LEU HDx% 1.0 0.0 6.00 136 109 A 43 LEU HDy% A 42 ASN H 1.0 0.0 6.00 137 110 A 42 ASN H A 41 ARG HBx 1.0 0.0 5.08 138 110 A 41 ARG HBy A 42 ASN H 1.0 0.0 5.08 139 111 A 38 SER H A 42 ASN HBx 1.0 0.0 6.00 140 111 A 38 SER H A 42 ASN HBy 1.0 0.0 6.00 141 112 A 38 SER H A 39 ASP HBx 1.0 0.0 4.55 142 112 A 39 ASP HBy A 38 SER H 1.0 0.0 4.55 143 113 A 4 ILE H A 3 LEU HDx% 1.0 0.0 4.04 144 113 A 4 ILE H A 3 LEU HDy% 1.0 0.0 4.04 145 114 A 4 ILE HD1% A 4 ILE H 1.0 0.0 4.22 146 115 A 48 GLU H A 47 LEU H 1.0 0.0 6.00 147 116 A 2 THR H A 2 THR HG2% 1.0 0.0 3.81 148 117 A 2 THR H A 3 LEU H 1.0 0.0 5.64 149 118 A 3 LEU H A 2 THR HA 1.0 0.0 3.42 150 119 A 3 LEU H A 3 LEU HBx 1.0 0.0 3.50 151 119 A 3 LEU HBy A 3 LEU H 1.0 0.0 3.50 152 120 A 3 LEU H A 4 ILE HA 1.0 0.0 6.00 153 121 A 5 GLU H A 3 LEU H 1.0 0.0 5.04 154 122 A 4 ILE H A 2 THR HA 1.0 0.0 3.65 155 123 A 4 ILE H A 3 LEU H 1.0 0.0 3.96 156 124 A 4 ILE H A 3 LEU HBx 1.0 0.0 3.71 157 124 A 3 LEU HBy A 4 ILE H 1.0 0.0 3.71 158 125 A 4 ILE H A 4 ILE HB 1.0 0.0 3.36 159 126 A 4 ILE H A 4 ILE HG1x 1.0 0.0 4.13 160 127 A 4 ILE H A 4 ILE HG1y 1.0 0.0 4.13 161 128 A 5 GLU H A 4 ILE H 1.0 0.0 4.13 162 129 A 6 LEU H A 4 ILE H 1.0 0.0 4.50 163 130 A 5 GLU H A 6 LEU HG 1.0 0.0 5.82 164 131 A 5 GLU H A 8 ILE HB 1.0 0.0 6.00 165 132 A 5 GLU H A 2 THR HA 1.0 0.0 4.95 166 133 A 5 GLU H A 3 LEU HA 1.0 0.0 5.05 167 134 A 5 GLU H A 5 GLU HBx 1.0 0.0 4.18 168 135 A 5 GLU H A 5 GLU HBy 1.0 0.0 4.18 169 136 A 5 GLU H A 5 GLU HGx 1.0 0.0 4.51 170 137 A 5 GLU H A 5 GLU HGy 1.0 0.0 4.51 171 138 A 5 GLU H A 6 LEU H 1.0 0.0 3.85 172 139 A 6 LEU H A 5 GLU HGy 1.0 0.0 5.48 173 140 A 6 LEU H A 2 THR HA 1.0 0.0 6.00 174 141 A 6 LEU H A 3 LEU H 1.0 0.0 5.50 175 142 A 6 LEU H A 6 LEU HG 1.0 0.0 3.56 176 143 A 6 LEU H A 6 LEU HDx% 1.0 0.0 3.96 177 143 A 6 LEU H A 6 LEU HDy% 1.0 0.0 3.96 178 144 A 6 LEU H A 9 VAL H 1.0 0.0 5.14 179 145 A 7 LEU H A 3 LEU HA 1.0 0.0 4.56 180 146 A 7 LEU H A 4 ILE H 1.0 0.0 6.00 181 147 A 7 LEU H A 4 ILE HA 1.0 0.0 3.97 182 148 A 6 LEU H A 7 LEU H 1.0 0.0 4.12 183 149 A 7 LEU H A 7 LEU HDx% 1.0 0.0 3.43 184 149 A 7 LEU H A 7 LEU HDy% 1.0 0.0 3.43 185 150 A 8 ILE H A 7 LEU H 1.0 0.0 3.60 186 151 A 8 ILE H A 5 GLU HA 1.0 0.0 3.75 187 152 A 8 ILE H A 6 LEU H 1.0 0.0 4.70 188 153 A 8 ILE H A 8 ILE HB 1.0 0.0 3.91 189 154 A 8 ILE H A 8 ILE HG1x 1.0 0.0 4.18 190 155 A 8 ILE H A 8 ILE HG1y 1.0 0.0 4.18 191 156 A 8 ILE H A 8 ILE HG2% 1.0 0.0 3.31 192 157 A 9 VAL H A 8 ILE HB 1.0 0.0 3.94 193 158 A 5 GLU HA A 9 VAL H 1.0 0.0 4.20 194 159 A 9 VAL H A 6 LEU HA 1.0 0.0 4.15 195 160 A 9 VAL HB A 9 VAL H 1.0 0.0 3.53 196 161 A 9 VAL H A 9 VAL HGy% 1.0 0.0 3.38 197 162 A 8 ILE HA A 10 VAL H 1.0 0.0 4.64 198 163 A 6 LEU HA A 10 VAL H 1.0 0.0 3.84 199 164 A 9 VAL H A 10 VAL H 1.0 0.0 3.83 200 165 A 9 VAL HB A 10 VAL H 1.0 0.0 3.71 201 166 A 10 VAL HB A 10 VAL H 1.0 0.0 3.70 202 167 A 10 VAL H A 10 VAL HGy% 1.0 0.0 3.34 203 168 A 11 ALA H A 10 VAL H 1.0 0.0 3.68 204 169 A 11 ALA HB% A 10 VAL H 1.0 0.0 4.62 205 170 A 11 ALA H A 8 ILE HA 1.0 0.0 3.33 206 171 A 11 ALA H A 9 VAL H 1.0 0.0 4.31 207 172 A 11 ALA H A 10 VAL HB 1.0 0.0 3.99 208 173 A 9 VAL H A 12 ILE H 1.0 0.0 5.62 209 174 A 9 VAL HA A 12 ILE H 1.0 0.0 4.05 210 175 A 11 ALA HB% A 12 ILE H 1.0 0.0 3.69 211 176 A 12 ILE H A 12 ILE HB 1.0 0.0 3.61 212 177 A 12 ILE H A 12 ILE HG1y 1.0 0.0 3.54 213 178 A 12 ILE H A 12 ILE HG1x 1.0 0.0 3.54 214 179 A 12 ILE H A 12 ILE HD1% 1.0 0.0 3.56 215 180 A 14 GLY H A 12 ILE H 1.0 0.0 5.83 216 181 A 13 ILE H A 11 ALA HA 1.0 0.0 4.90 217 182 A 13 ILE H A 13 ILE HB 1.0 0.0 3.65 218 183 A 13 ILE H A 13 ILE HG1x 1.0 0.0 4.02 219 184 A 13 ILE H A 13 ILE HG1y 1.0 0.0 4.02 220 185 A 13 ILE H A 13 ILE HD1% 1.0 0.0 3.84 221 186 A 13 ILE HG2% A 13 ILE H 1.0 0.0 3.43 222 187 A 14 GLY H A 10 VAL HA 1.0 0.0 5.26 223 188 A 14 GLY H A 13 ILE H 1.0 0.0 3.54 224 189 A 14 GLY H A 13 ILE HB 1.0 0.0 4.25 225 190 A 14 GLY H A 13 ILE HG1x 1.0 0.0 6.00 226 191 A 14 GLY H A 13 ILE HG2% 1.0 0.0 3.68 227 192 A 14 GLY H A 15 ILE H 1.0 0.0 4.08 228 193 A 15 ILE H A 15 ILE HB 1.0 0.0 3.26 229 194 A 15 ILE H A 16 LEU H 1.0 0.0 3.75 230 195 A 16 LEU H A 13 ILE HA 1.0 0.0 3.94 231 196 A 16 LEU H A 16 LEU HBx 1.0 0.0 3.75 232 196 A 16 LEU H A 16 LEU HBy 1.0 0.0 3.75 233 197 A 17 ALA H A 16 LEU H 1.0 0.0 3.70 234 198 A 17 ALA H A 13 ILE HA 1.0 0.0 4.43 235 199 A 17 ALA H A 15 ILE HA 1.0 0.0 4.39 236 200 A 17 ALA H A 19 ILE H 1.0 0.0 5.93 237 201 A 18 ALA H A 14 GLY HA2 1.0 0.0 5.42 238 201 A 18 ALA H A 14 GLY HA3 1.0 0.0 5.42 239 202 A 15 ILE H A 18 ALA H 1.0 0.0 6.00 240 203 A 18 ALA H A 15 ILE HA 1.0 0.0 4.92 241 204 A 17 ALA H A 18 ALA H 1.0 0.0 3.94 242 205 A 19 ILE H A 15 ILE HA 1.0 0.0 4.90 243 206 A 18 ALA H A 19 ILE H 1.0 0.0 4.06 244 207 A 18 ALA HB% A 19 ILE H 1.0 0.0 3.49 245 208 A 19 ILE H A 19 ILE HG1x 1.0 0.0 4.28 246 209 A 19 ILE HG1y A 19 ILE H 1.0 0.0 3.94 247 210 A 19 ILE H A 20 ALA H 1.0 0.0 3.61 248 211 A 19 ILE HG1x A 20 ALA H 1.0 0.0 4.19 249 212 A 21 ILE HG1y A 20 ALA H 1.0 0.0 6.00 250 213 A 20 ALA H A 17 ALA HA 1.0 0.0 4.09 251 214 A 20 ALA H A 16 LEU HBx 1.0 0.0 5.74 252 214 A 16 LEU HBy A 20 ALA H 1.0 0.0 5.74 253 215 A 17 ALA HB% A 20 ALA H 1.0 0.0 5.98 254 216 A 18 ALA H A 20 ALA H 1.0 0.0 6.00 255 217 A 20 ALA H A 19 ILE HB 1.0 0.0 3.62 256 218 A 20 ALA H A 19 ILE HD1% 1.0 0.0 3.79 257 219 A 19 ILE HG2% A 20 ALA H 1.0 0.0 4.18 258 220 A 19 ILE H A 21 ILE H 1.0 0.0 4.80 259 221 A 21 ILE H A 21 ILE HB 1.0 0.0 3.58 260 222 A 21 ILE H A 21 ILE HG1x 1.0 0.0 4.27 261 223 A 21 ILE HG1y A 21 ILE H 1.0 0.0 4.18 262 224 A 23 GLN H A 23 GLN HGx 1.0 0.0 4.37 263 224 A 23 GLN H A 23 GLN HGy 1.0 0.0 4.37 264 225 A 20 ALA HB% A 24 PHE H 1.0 0.0 5.26 265 226 A 24 PHE H A 22 PRO HGx 1.0 0.0 4.68 266 227 A 24 PHE H A 22 PRO HA 1.0 0.0 5.10 267 228 A 24 PHE H A 22 PRO HBy 1.0 0.0 4.83 268 229 A 24 PHE H A 23 GLN HBx 1.0 0.0 4.12 269 229 A 23 GLN HBy A 24 PHE H 1.0 0.0 4.12 270 230 A 24 PHE H A 23 GLN HGx 1.0 0.0 3.73 271 230 A 24 PHE H A 23 GLN HGy 1.0 0.0 3.73 272 231 A 24 PHE H A 24 PHE HBx 1.0 0.0 3.76 273 232 A 24 PHE H A 24 PHE HBy 1.0 0.0 3.76 274 233 A 26 ALA H A 24 PHE H 1.0 0.0 6.00 275 234 A 25 SER H A 21 ILE HG2% 1.0 0.0 6.00 276 235 A 23 GLN H A 22 PRO HGx 1.0 0.0 5.01 277 236 A 25 SER H A 22 PRO HDx 1.0 0.0 6.00 278 237 A 25 SER H A 22 PRO HDy 1.0 0.0 6.00 279 238 A 25 SER H A 24 PHE HBx 1.0 0.0 4.04 280 239 A 25 SER H A 24 PHE HBy 1.0 0.0 4.04 281 240 A 26 ALA H A 22 PRO HA 1.0 0.0 4.36 282 241 A 26 ALA H A 24 PHE HA 1.0 0.0 4.82 283 242 A 26 ALA H A 25 SER H 1.0 0.0 6.00 284 243 A 26 ALA H A 25 SER HA 1.0 0.0 3.50 285 244 A 26 ALA H A 25 SER HBx 1.0 0.0 4.28 286 244 A 26 ALA H A 25 SER HBy 1.0 0.0 4.28 287 245 A 26 ALA H A 27 TYR HBx 1.0 0.0 5.89 288 246 A 24 PHE HA A 27 TYR H 1.0 0.0 4.55 289 247 A 27 TYR H A 24 PHE HBx 1.0 0.0 5.43 290 248 A 27 TYR H A 24 PHE HBy 1.0 0.0 5.43 291 249 A 25 SER H A 27 TYR H 1.0 0.0 4.97 292 250 A 25 SER HA A 27 TYR H 1.0 0.0 4.35 293 251 A 27 TYR H A 25 SER HBx 1.0 0.0 5.44 294 251 A 25 SER HBy A 27 TYR H 1.0 0.0 5.44 295 252 A 26 ALA H A 27 TYR H 1.0 0.0 3.76 296 253 A 27 TYR HBx A 27 TYR H 1.0 0.0 3.58 297 254 A 27 TYR HBy A 27 TYR H 1.0 0.0 3.67 298 255 A 27 TYR H A 28 ARG HBx 1.0 0.0 4.65 299 255 A 28 ARG HBy A 27 TYR H 1.0 0.0 4.65 300 256 A 27 TYR H A 28 ARG HGx 1.0 0.0 5.04 301 256 A 27 TYR H A 28 ARG HGy 1.0 0.0 5.04 302 257 A 27 TYR H A 29 VAL HGx% 1.0 0.0 6.00 303 257 A 29 VAL HGy% A 27 TYR H 1.0 0.0 6.00 304 258 A 28 ARG H A 29 VAL HA 1.0 0.0 5.40 305 259 A 25 SER HA A 28 ARG H 1.0 0.0 5.15 306 260 A 27 TYR HBx A 28 ARG H 1.0 0.0 3.90 307 261 A 27 TYR HBy A 28 ARG H 1.0 0.0 4.37 308 262 A 28 ARG H A 28 ARG HBx 1.0 0.0 3.30 309 262 A 28 ARG HBy A 28 ARG H 1.0 0.0 3.30 310 263 A 28 ARG H A 28 ARG HDx 1.0 0.0 4.40 311 263 A 28 ARG H A 28 ARG HDy 1.0 0.0 4.40 312 264 A 28 ARG H A 28 ARG HGx 1.0 0.0 4.13 313 264 A 28 ARG HGy A 28 ARG H 1.0 0.0 4.13 314 265 A 28 ARG H A 29 VAL HB 1.0 0.0 5.27 315 266 A 28 ARG H A 29 VAL HGx% 1.0 0.0 5.42 316 266 A 29 VAL HGy% A 28 ARG H 1.0 0.0 5.42 317 267 A 30 LYS H A 28 ARG H 1.0 0.0 5.32 318 268 A 31 ALA HB% A 28 ARG H 1.0 0.0 5.50 319 269 A 25 SER HA A 29 VAL H 1.0 0.0 4.48 320 270 A 26 ALA HB% A 29 VAL H 1.0 0.0 5.17 321 271 A 29 VAL H A 27 TYR HA 1.0 0.0 5.28 322 272 A 27 TYR HBx A 29 VAL H 1.0 0.0 4.45 323 273 A 27 TYR HBy A 29 VAL H 1.0 0.0 5.47 324 274 A 28 ARG HA A 29 VAL H 1.0 0.0 3.42 325 275 A 29 VAL H A 28 ARG HBx 1.0 0.0 3.82 326 275 A 28 ARG HBy A 29 VAL H 1.0 0.0 3.82 327 276 A 29 VAL H A 28 ARG HDx 1.0 0.0 6.00 328 276 A 28 ARG HDy A 29 VAL H 1.0 0.0 6.00 329 277 A 29 VAL H A 28 ARG HGx 1.0 0.0 5.03 330 277 A 28 ARG HGy A 29 VAL H 1.0 0.0 5.03 331 278 A 29 VAL HB A 29 VAL H 1.0 0.0 3.43 332 279 A 29 VAL H A 29 VAL HGx% 1.0 0.0 3.27 333 279 A 29 VAL HGy% A 29 VAL H 1.0 0.0 3.27 334 280 A 30 LYS H A 27 TYR HA 1.0 0.0 4.76 335 281 A 30 LYS H A 29 VAL H 1.0 0.0 3.57 336 282 A 30 LYS H A 29 VAL HA 1.0 0.0 3.33 337 283 A 30 LYS H A 29 VAL HB 1.0 0.0 3.88 338 284 A 30 LYS H A 29 VAL HGx% 1.0 0.0 3.56 339 284 A 29 VAL HGy% A 30 LYS H 1.0 0.0 3.56 340 285 A 30 LYS H A 30 LYS HBx 1.0 0.0 3.27 341 285 A 30 LYS H A 30 LYS HBy 1.0 0.0 3.27 342 286 A 30 LYS H A 30 LYS HDx 1.0 0.0 3.83 343 286 A 30 LYS H A 30 LYS HDy 1.0 0.0 3.83 344 287 A 30 LYS H A 31 ALA H 1.0 0.0 3.66 345 288 A 29 VAL HB A 31 ALA H 1.0 0.0 6.00 346 289 A 27 TYR HA A 31 ALA H 1.0 0.0 5.01 347 290 A 29 VAL H A 31 ALA H 1.0 0.0 4.34 348 291 A 29 VAL HA A 31 ALA H 1.0 0.0 4.10 349 292 A 31 ALA H A 29 VAL HGx% 1.0 0.0 4.35 350 292 A 29 VAL HGy% A 31 ALA H 1.0 0.0 4.35 351 293 A 31 ALA H A 30 LYS HBx 1.0 0.0 3.78 352 293 A 30 LYS HBy A 31 ALA H 1.0 0.0 3.78 353 294 A 31 ALA H A 30 LYS HDx 1.0 0.0 5.19 354 294 A 30 LYS HDy A 31 ALA H 1.0 0.0 5.19 355 295 A 32 TYR H A 31 ALA H 1.0 0.0 6.00 356 296 A 31 ALA H A 32 TYR HBy 1.0 0.0 5.10 357 297 A 31 ALA H A 32 TYR HBx 1.0 0.0 5.10 358 298 A 33 ASN H A 31 ALA H 1.0 0.0 6.00 359 299 A 32 TYR H A 28 ARG HA 1.0 0.0 6.00 360 300 A 32 TYR H A 29 VAL HA 1.0 0.0 4.10 361 301 A 32 TYR H A 30 LYS H 1.0 0.0 6.00 362 302 A 32 TYR H A 30 LYS HBx 1.0 0.0 5.13 363 302 A 32 TYR H A 30 LYS HBy 1.0 0.0 5.13 364 303 A 32 TYR H A 31 ALA HB% 1.0 0.0 3.49 365 304 A 32 TYR H A 32 TYR HBy 1.0 0.0 3.52 366 305 A 32 TYR H A 32 TYR HBx 1.0 0.0 3.52 367 306 A 33 ASN H A 29 VAL HA 1.0 0.0 4.94 368 307 A 33 ASN H A 29 VAL HGx% 1.0 0.0 6.00 369 307 A 29 VAL HGy% A 33 ASN H 1.0 0.0 6.00 370 308 A 33 ASN H A 30 LYS HA 1.0 0.0 4.61 371 309 A 32 TYR H A 33 ASN H 1.0 0.0 3.47 372 310 A 33 ASN H A 32 TYR HA 1.0 0.0 3.25 373 311 A 33 ASN H A 32 TYR HBy 1.0 0.0 3.87 374 312 A 33 ASN H A 32 TYR HBx 1.0 0.0 3.87 375 313 A 30 LYS HA A 34 SER H 1.0 0.0 6.00 376 314 A 34 SER H A 31 ALA HA 1.0 0.0 5.15 377 315 A 32 TYR H A 34 SER H 1.0 0.0 4.30 378 316 A 32 TYR HA A 34 SER H 1.0 0.0 4.78 379 317 A 32 TYR HBy A 34 SER H 1.0 0.0 6.00 380 318 A 32 TYR HBx A 34 SER H 1.0 0.0 6.00 381 319 A 34 SER H A 33 ASN HA 1.0 0.0 3.38 382 320 A 34 SER H A 33 ASN HBy 1.0 0.0 4.02 383 321 A 34 SER H A 33 ASN HBx 1.0 0.0 4.02 384 322 A 34 SER H A 34 SER HBy 1.0 0.0 3.73 385 323 A 35 ALA H A 33 ASN HA 1.0 0.0 5.32 386 324 A 35 ALA H A 31 ALA HA 1.0 0.0 6.00 387 325 A 35 ALA H A 31 ALA HB% 1.0 0.0 5.50 388 326 A 35 ALA H A 32 TYR HA 1.0 0.0 6.00 389 327 A 35 ALA H A 34 SER HBx 1.0 0.0 3.85 390 328 A 37 SER H A 35 ALA H 1.0 0.0 6.00 391 329 A 36 ALA H A 31 ALA HB% 1.0 0.0 5.62 392 330 A 36 ALA H A 33 ASN HA 1.0 0.0 5.71 393 331 A 36 ALA H A 35 ALA H 1.0 0.0 6.00 394 332 A 36 ALA H A 36 ALA HB% 1.0 0.0 2.90 395 333 A 37 SER H A 36 ALA H 1.0 0.0 6.00 396 334 A 37 SER H A 33 ASN HA 1.0 0.0 5.54 397 335 A 37 SER H A 36 ALA HB% 1.0 0.0 3.38 398 336 A 37 SER H A 37 SER HBx 1.0 0.0 4.13 399 337 A 38 SER H A 35 ALA HA 1.0 0.0 4.82 400 338 A 38 SER H A 36 ALA HB% 1.0 0.0 4.60 401 339 A 37 SER H A 38 SER H 1.0 0.0 3.33 402 340 A 38 SER H A 38 SER HBx 1.0 0.0 3.62 403 341 A 38 SER H A 38 SER HBy 1.0 0.0 3.62 404 342 A 39 ASP H A 41 ARG HBx 1.0 0.0 5.52 405 342 A 41 ARG HBy A 39 ASP H 1.0 0.0 5.52 406 343 A 40 LEU H A 41 ARG HBx 1.0 0.0 5.75 407 343 A 41 ARG HBy A 40 LEU H 1.0 0.0 5.75 408 344 A 39 ASP H A 35 ALA HB% 1.0 0.0 4.39 409 345 A 39 ASP H A 36 ALA HA 1.0 0.0 4.67 410 346 A 39 ASP H A 38 SER HA 1.0 0.0 3.42 411 347 A 39 ASP H A 38 SER HBx 1.0 0.0 4.11 412 348 A 39 ASP H A 38 SER HBy 1.0 0.0 4.11 413 349 A 39 ASP H A 39 ASP HBx 1.0 0.0 3.11 414 349 A 39 ASP HBy A 39 ASP H 1.0 0.0 3.11 415 350 A 40 LEU H A 42 ASN HBx 1.0 0.0 6.00 416 350 A 40 LEU H A 42 ASN HBy 1.0 0.0 6.00 417 351 A 40 LEU H A 36 ALA HA 1.0 0.0 5.26 418 352 A 40 LEU H A 36 ALA HB% 1.0 0.0 5.70 419 353 A 40 LEU H A 38 SER HA 1.0 0.0 4.22 420 354 A 40 LEU H A 39 ASP HBx 1.0 0.0 3.35 421 354 A 39 ASP HBy A 40 LEU H 1.0 0.0 3.35 422 355 A 40 LEU H A 40 LEU HG 1.0 0.0 3.72 423 356 A 40 LEU H A 40 LEU HBx 1.0 0.0 3.23 424 356 A 40 LEU H A 40 LEU HBy 1.0 0.0 3.23 425 357 A 40 LEU H A 41 ARG H 1.0 0.0 3.70 426 358 A 38 SER HA A 41 ARG H 1.0 0.0 4.86 427 359 A 41 ARG H A 40 LEU HDx% 1.0 0.0 5.44 428 360 A 41 ARG H A 39 ASP HA 1.0 0.0 4.81 429 361 A 41 ARG H A 39 ASP HBx 1.0 0.0 4.39 430 361 A 39 ASP HBy A 41 ARG H 1.0 0.0 4.39 431 362 A 41 ARG H A 40 LEU HBx 1.0 0.0 3.59 432 362 A 40 LEU HBy A 41 ARG H 1.0 0.0 3.59 433 363 A 41 ARG H A 41 ARG HBx 1.0 0.0 3.15 434 363 A 41 ARG HBy A 41 ARG H 1.0 0.0 3.15 435 364 A 41 ARG H A 41 ARG HDx 1.0 0.0 4.76 436 364 A 41 ARG HDy A 41 ARG H 1.0 0.0 4.76 437 365 A 41 ARG H A 41 ARG HGx 1.0 0.0 3.80 438 365 A 41 ARG HGy A 41 ARG H 1.0 0.0 3.80 439 366 A 42 ASN H A 41 ARG H 1.0 0.0 3.34 440 367 A 43 LEU H A 41 ARG H 1.0 0.0 4.59 441 368 A 44 LYS HBy A 41 ARG H 1.0 0.0 5.21 442 369 A 42 ASN H A 40 LEU HA 1.0 0.0 5.02 443 370 A 42 ASN H A 42 ASN HBx 1.0 0.0 3.18 444 370 A 42 ASN HBy A 42 ASN H 1.0 0.0 3.18 445 371 A 43 LEU H A 46 ALA HB% 1.0 0.0 4.98 446 372 A 43 LEU H A 42 ASN H 1.0 0.0 3.31 447 373 A 43 LEU H A 42 ASN HBx 1.0 0.0 3.66 448 373 A 43 LEU H A 42 ASN HBy 1.0 0.0 3.66 449 374 A 43 LEU H A 43 LEU HG 1.0 0.0 3.84 450 375 A 43 LEU H A 43 LEU HBx 1.0 0.0 3.28 451 375 A 43 LEU H A 43 LEU HBy 1.0 0.0 3.28 452 376 A 43 LEU H A 44 LYS HBy 1.0 0.0 4.61 453 377 A 44 LYS H A 43 LEU HDx% 1.0 0.0 4.35 454 377 A 43 LEU HDy% A 44 LYS H 1.0 0.0 4.35 455 378 A 44 LYS H A 43 LEU HBx 1.0 0.0 3.55 456 378 A 43 LEU HBy A 44 LYS H 1.0 0.0 3.55 457 379 A 41 ARG HA A 44 LYS H 1.0 0.0 4.79 458 380 A 44 LYS H A 42 ASN HA 1.0 0.0 6.00 459 381 A 43 LEU H A 44 LYS H 1.0 0.0 3.43 460 382 A 44 LYS HBy A 44 LYS H 1.0 0.0 3.48 461 383 A 44 LYS HBx A 44 LYS H 1.0 0.0 3.28 462 384 A 45 THR HB A 44 LYS H 1.0 0.0 4.51 463 385 A 45 THR H A 42 ASN HA 1.0 0.0 4.50 464 386 A 46 ALA H A 43 LEU HDx% 1.0 0.0 5.65 465 386 A 46 ALA H A 43 LEU HDy% 1.0 0.0 5.65 466 387 A 46 ALA H A 47 LEU HDx% 1.0 0.0 6.00 467 387 A 46 ALA H A 47 LEU HDy% 1.0 0.0 6.00 468 388 A 46 ALA H A 44 LYS HA 1.0 0.0 4.66 469 389 A 46 ALA H A 44 LYS HBy 1.0 0.0 5.27 470 390 A 46 ALA H A 42 ASN HBx 1.0 0.0 6.00 471 390 A 46 ALA H A 42 ASN HBy 1.0 0.0 6.00 472 391 A 46 ALA H A 42 ASN HA 1.0 0.0 5.32 473 392 A 45 THR HB A 46 ALA H 1.0 0.0 3.62 474 393 A 47 LEU H A 43 LEU HA 1.0 0.0 4.41 475 394 A 48 GLU H A 47 LEU HBx 1.0 0.0 4.76 476 394 A 47 LEU HBy A 48 GLU H 1.0 0.0 4.76 477 395 A 7 LEU H A 6 LEU HDx% 1.0 0.0 4.70 478 395 A 7 LEU H A 6 LEU HDy% 1.0 0.0 4.70 479 396 A 48 GLU H A 47 LEU HG 1.0 0.0 5.71 480 397 A 44 LYS HA A 48 GLU H 1.0 0.0 5.14 481 398 A 48 GLU H A 44 LYS HBy 1.0 0.0 5.68 482 399 A 48 GLU H A 45 THR HG2% 1.0 0.0 5.44 483 400 A 48 GLU H A 48 GLU HBy 1.0 0.0 3.78 484 401 A 48 GLU H A 48 GLU HBx 1.0 0.0 3.78 485 402 A 48 GLU H A 48 GLU HGy 1.0 0.0 4.34 486 403 A 48 GLU H A 48 GLU HGx 1.0 0.0 4.34 487 404 A 49 SER H A 48 GLU H 1.0 0.0 3.47 488 405 A 48 GLU H A 49 SER HA 1.0 0.0 5.19 489 406 A 50 ALA H A 49 SER H 1.0 0.0 3.33 490 407 A 50 ALA H A 51 PHE HA 1.0 0.0 5.52 491 408 A 50 ALA H A 47 LEU HA 1.0 0.0 4.06 492 409 A 50 ALA H A 48 GLU H 1.0 0.0 4.57 493 410 A 50 ALA H A 51 PHE HBx 1.0 0.0 6.00 494 411 A 50 ALA H A 51 PHE HBy 1.0 0.0 6.00 495 412 A 50 ALA H A 52 ALA H 1.0 0.0 6.00 496 413 A 52 ALA H A 49 SER H 1.0 0.0 6.00 497 414 A 52 ALA H A 48 GLU HA 1.0 0.0 4.10 498 415 A 52 ALA H A 50 ALA HA 1.0 0.0 4.94 499 416 A 52 ALA H A 50 ALA HB% 1.0 0.0 4.24 500 417 A 52 ALA H A 51 PHE HBx 1.0 0.0 4.42 501 418 A 52 ALA H A 51 PHE HBy 1.0 0.0 4.42 502 419 A 42 ASN H A 38 SER HA 1.0 0.0 3.64 503 420 A 52 ALA H A 53 ASP H 1.0 0.0 3.57 504 421 A 52 ALA HB% A 53 ASP H 1.0 0.0 3.55 505 422 A 52 ALA HA A 54 ASP H 1.0 0.0 4.93 506 423 A 54 ASP H A 54 ASP HBx 1.0 0.0 3.30 507 423 A 54 ASP H A 54 ASP HBy 1.0 0.0 3.30 508 424 A 56 THR H A 55 GLN H 1.0 0.0 3.88 509 425 A 56 THR H A 56 THR HB 1.0 0.0 4.06 510 426 A 56 THR H A 56 THR HG2% 1.0 0.0 4.75 511 427 A 57 TYR H A 56 THR H 1.0 0.0 3.72 512 428 A 57 TYR H A 56 THR HB 1.0 0.0 4.13 513 429 A 57 TYR H A 56 THR HG2% 1.0 0.0 4.62 514 430 A 59 PRO HA A 60 GLU H 1.0 0.0 3.42 515 431 A 60 GLU H A 59 PRO HBx 1.0 0.0 4.61 516 431 A 60 GLU H A 59 PRO HBy 1.0 0.0 4.61 517 432 A 61 SER H A 60 GLU H 1.0 0.0 4.57 518 433 A 5 GLU HA A 4 ILE H 1.0 0.0 5.34 519 434 A 14 GLY H A 13 ILE HD1% 1.0 0.0 4.87 520 435 A 18 ALA HB% A 19 ILE HA 1.0 0.0 4.28 521 436 A 12 ILE H A 12 ILE HG2% 1.0 0.0 2.87 522 437 A 9 VAL H A 8 ILE HG2% 1.0 0.0 3.28 523 438 A 19 ILE H A 19 ILE HG2% 1.0 0.0 3.55 524 439 A 13 ILE HB A 14 GLY HA2 1.0 0.0 4.69 525 439 A 13 ILE HB A 14 GLY HA3 1.0 0.0 4.69 526 440 A 23 GLN H A 21 ILE HG2% 1.0 0.0 4.61 527 441 A 35 ALA H A 35 ALA HB% 1.0 0.0 2.84 528 442 A 52 ALA HB% A 51 PHE H 1.0 0.0 4.27 529 443 A 52 ALA HB% A 52 ALA H 1.0 0.0 3.05 530 444 A 50 ALA H A 50 ALA HB% 1.0 0.0 3.03 531 445 A 51 PHE H A 50 ALA HB% 1.0 0.0 3.16 532 446 A 16 LEU HDy% A 13 ILE HA 1.0 0.0 4.05 533 447 A 19 ILE H A 20 ALA HA 1.0 0.0 5.05 534 448 A 19 ILE H A 17 ALA HA 1.0 0.0 4.61 535 449 A 45 THR HB A 42 ASN H 1.0 0.0 6.00 536 450 A 45 THR HG2% A 43 LEU HBx 1.0 0.0 5.45 537 450 A 43 LEU HBy A 45 THR HG2% 1.0 0.0 5.45 538 451 A 45 THR HG2% A 41 ARG HBx 1.0 0.0 5.05 539 451 A 41 ARG HBy A 45 THR HG2% 1.0 0.0 5.05 540 452 A 57 TYR H A 55 GLN HA 1.0 0.0 4.62 541 453 A 45 THR HG2% A 42 ASN HA 1.0 0.0 3.32 542 454 A 55 GLN H A 54 ASP HBx 1.0 0.0 4.87 543 454 A 55 GLN H A 54 ASP HBy 1.0 0.0 4.87 544 455 A 34 SER H A 34 SER HBx 1.0 0.0 3.73 545 456 A 35 ALA H A 34 SER HBy 1.0 0.0 3.85 546 457 A 25 SER H A 25 SER HBx 1.0 0.0 3.13 547 457 A 25 SER H A 25 SER HBy 1.0 0.0 3.13 548 458 A 5 GLU HA A 8 ILE HD1% 1.0 0.0 3.57 549 459 A 8 ILE H A 4 ILE HA 1.0 0.0 4.66 550 460 A 48 GLU H A 45 THR HA 1.0 0.0 4.41 551 461 A 9 VAL HA A 13 ILE H 1.0 0.0 4.64 552 462 A 8 ILE H A 6 LEU HBx 1.0 0.0 6.00 553 463 A 17 ALA HB% A 21 ILE HD1% 1.0 0.0 3.48 554 464 A 20 ALA HB% A 21 ILE HD1% 1.0 0.0 3.97 555 465 A 45 THR HB A 46 ALA HB% 1.0 0.0 6.00 556 466 A 9 VAL HA A 8 ILE HB 1.0 0.0 4.70 557 467 A 9 VAL HA A 12 ILE HB 1.0 0.0 4.98 558 468 A 9 VAL HA A 9 VAL HGx% 1.0 0.0 3.48 559 469 A 9 VAL HA A 9 VAL HGy% 1.0 0.0 3.48 560 470 A 9 VAL HA A 12 ILE HD1% 1.0 0.0 3.79 561 471 A 13 ILE HB A 10 VAL HA 1.0 0.0 5.15 562 472 A 13 ILE HD1% A 10 VAL HA 1.0 0.0 4.15 563 473 A 10 VAL HA A 10 VAL HGx% 1.0 0.0 3.36 564 474 A 10 VAL HA A 10 VAL HGy% 1.0 0.0 3.36 565 475 A 8 ILE HA A 8 ILE HG1x 1.0 0.0 3.71 566 476 A 16 LEU HG A 13 ILE HA 1.0 0.0 3.80 567 477 A 8 ILE HA A 8 ILE HG1y 1.0 0.0 3.71 568 478 A 8 ILE HG2% A 8 ILE HA 1.0 0.0 2.85 569 479 A 12 ILE HG2% A 12 ILE HA 1.0 0.0 3.08 570 480 A 4 ILE HA A 3 LEU HBx 1.0 0.0 5.23 571 480 A 3 LEU HBy A 4 ILE HA 1.0 0.0 5.23 572 481 A 4 ILE HD1% A 4 ILE HA 1.0 0.0 3.30 573 482 A 4 ILE HA A 7 LEU HDx% 1.0 0.0 4.31 574 482 A 4 ILE HA A 7 LEU HDy% 1.0 0.0 4.31 575 483 A 8 ILE HD1% A 4 ILE HA 1.0 0.0 4.80 576 484 A 29 VAL HA A 28 ARG HBx 1.0 0.0 6.00 577 484 A 28 ARG HBy A 29 VAL HA 1.0 0.0 6.00 578 485 A 56 THR HG2% A 56 THR HA 1.0 0.0 3.83 579 486 A 52 ALA HB% A 49 SER HA 1.0 0.0 4.37 580 487 A 44 LYS HA A 43 LEU HBx 1.0 0.0 4.58 581 487 A 44 LYS HA A 43 LEU HBy 1.0 0.0 4.58 582 488 A 44 LYS HA A 44 LYS HDx 1.0 0.0 4.82 583 488 A 44 LYS HA A 44 LYS HDy 1.0 0.0 4.82 584 489 A 44 LYS HA A 47 LEU HDx% 1.0 0.0 4.17 585 489 A 44 LYS HA A 47 LEU HDy% 1.0 0.0 4.17 586 490 A 25 SER HA A 28 ARG HDx 1.0 0.0 6.00 587 490 A 25 SER HA A 28 ARG HDy 1.0 0.0 6.00 588 491 A 25 SER HA A 28 ARG HBx 1.0 0.0 4.58 589 491 A 28 ARG HBy A 25 SER HA 1.0 0.0 4.58 590 492 A 25 SER HA A 28 ARG HGx 1.0 0.0 6.00 591 492 A 25 SER HA A 28 ARG HGy 1.0 0.0 6.00 592 493 A 26 ALA HB% A 25 SER HA 1.0 0.0 5.12 593 494 A 26 ALA HA A 25 SER HBx 1.0 0.0 6.00 594 494 A 25 SER HBy A 26 ALA HA 1.0 0.0 6.00 595 495 A 5 GLU HA A 8 ILE HB 1.0 0.0 3.86 596 496 A 36 ALA HB% A 37 SER HA 1.0 0.0 5.66 597 497 A 27 TYR HA A 30 LYS HBx 1.0 0.0 4.70 598 497 A 27 TYR HA A 30 LYS HBy 1.0 0.0 4.70 599 498 A 37 SER HA A 40 LEU HBx 1.0 0.0 5.04 600 498 A 40 LEU HBy A 37 SER HA 1.0 0.0 5.04 601 499 A 27 TYR HA A 30 LYS HDx 1.0 0.0 3.92 602 499 A 27 TYR HA A 30 LYS HDy 1.0 0.0 3.92 603 500 A 26 ALA HB% A 27 TYR HA 1.0 0.0 5.91 604 501 A 41 ARG HA A 42 ASN HBx 1.0 0.0 6.00 605 501 A 41 ARG HA A 42 ASN HBy 1.0 0.0 6.00 606 502 A 52 ALA HB% A 48 GLU HA 1.0 0.0 5.98 607 503 A 9 VAL HB A 6 LEU HA 1.0 0.0 4.48 608 504 A 10 VAL HB A 7 LEU HA 1.0 0.0 3.78 609 505 A 7 LEU HG A 7 LEU HA 1.0 0.0 3.93 610 506 A 3 LEU HA A 3 LEU HDx% 1.0 0.0 3.67 611 506 A 3 LEU HDy% A 3 LEU HA 1.0 0.0 3.67 612 507 A 7 LEU HA A 7 LEU HDx% 1.0 0.0 3.51 613 507 A 7 LEU HDy% A 7 LEU HA 1.0 0.0 3.51 614 508 A 6 LEU HG A 3 LEU HA 1.0 0.0 4.02 615 509 A 41 ARG HA A 44 LYS HBx 1.0 0.0 4.59 616 510 A 46 ALA HB% A 43 LEU HA 1.0 0.0 4.01 617 511 A 19 ILE H A 16 LEU HA 1.0 0.0 4.87 618 512 A 6 LEU HG A 6 LEU HA 1.0 0.0 3.84 619 513 A 16 LEU HG A 16 LEU HA 1.0 0.0 4.17 620 514 A 19 ILE HG1y A 16 LEU HA 1.0 0.0 4.98 621 515 A 6 LEU HA A 6 LEU HDx% 1.0 0.0 3.38 622 515 A 6 LEU HA A 6 LEU HDy% 1.0 0.0 3.38 623 516 A 26 ALA HB% A 23 GLN HA 1.0 0.0 5.78 624 517 A 43 LEU HA A 43 LEU HDx% 1.0 0.0 3.34 625 517 A 43 LEU HDy% A 43 LEU HA 1.0 0.0 3.34 626 518 A 41 ARG HA A 44 LYS HBy 1.0 0.0 4.82 627 519 A 40 LEU HG A 40 LEU HA 1.0 0.0 3.98 628 520 A 11 ALA HA A 14 GLY HA2 1.0 0.0 3.67 629 520 A 11 ALA HA A 14 GLY HA3 1.0 0.0 3.67 630 521 A 46 ALA HA A 45 THR HG2% 1.0 0.0 4.15 631 522 A 17 ALA HB% A 18 ALA HA 1.0 0.0 4.34 632 523 A 19 ILE HG1y A 20 ALA HA 1.0 0.0 4.42 633 524 A 40 LEU H A 40 LEU HDx% 1.0 0.0 4.21 634 525 A 13 ILE H A 16 LEU HDx% 1.0 0.0 5.25 635 526 A 26 ALA HA A 29 VAL HGx% 1.0 0.0 4.21 636 526 A 29 VAL HGy% A 26 ALA HA 1.0 0.0 4.21 637 527 A 36 ALA HA A 39 ASP HBx 1.0 0.0 4.47 638 527 A 39 ASP HBy A 36 ALA HA 1.0 0.0 4.47 639 528 A 15 ILE HB A 14 GLY HA2 1.0 0.0 5.70 640 528 A 15 ILE HB A 14 GLY HA3 1.0 0.0 5.70 641 529 A 41 ARG H A 40 LEU HDy% 1.0 0.0 5.44 642 530 A 13 ILE HG2% A 14 GLY HA2 1.0 0.0 4.61 643 530 A 13 ILE HG2% A 14 GLY HA3 1.0 0.0 4.61 644 531 A 5 GLU H A 4 ILE HB 1.0 0.0 5.31 645 532 A 2 THR HG2% A 4 ILE HB 1.0 0.0 5.07 646 533 A 4 ILE HD1% A 4 ILE HB 1.0 0.0 3.66 647 534 A 9 VAL H A 9 VAL HGx% 1.0 0.0 3.38 648 535 A 52 ALA H A 49 SER HA 1.0 0.0 4.41 649 536 A 11 ALA H A 10 VAL HGx% 1.0 0.0 4.30 650 537 A 16 LEU H A 16 LEU HDy% 1.0 0.0 3.29 651 538 A 15 ILE H A 16 LEU HDy% 1.0 0.0 4.32 652 539 A 10 VAL H A 10 VAL HGx% 1.0 0.0 3.34 653 540 A 45 THR HG2% A 44 LYS H 1.0 0.0 4.34 654 541 A 46 ALA H A 45 THR HG2% 1.0 0.0 3.55 655 542 A 11 ALA H A 10 VAL HGy% 1.0 0.0 4.30 656 543 A 46 ALA HA A 47 LEU HDx% 1.0 0.0 6.00 657 543 A 47 LEU HDy% A 46 ALA HA 1.0 0.0 6.00 658 544 A 11 ALA HB% A 8 ILE HA 1.0 0.0 3.17 659 545 A 17 ALA HB% A 14 GLY HA2 1.0 0.0 3.66 660 545 A 17 ALA HB% A 14 GLY HA3 1.0 0.0 3.66 661 546 A 20 ALA HB% A 16 LEU HA 1.0 0.0 4.18 662 547 A 20 ALA HB% A 21 ILE HB 1.0 0.0 6.00 663 548 A 20 ALA HB% A 23 GLN HBx 1.0 0.0 4.03 664 548 A 20 ALA HB% A 23 GLN HBy 1.0 0.0 4.03 665 549 A 20 ALA HB% A 19 ILE HG1x 1.0 0.0 4.95 666 550 A 19 ILE HB A 19 ILE HD1% 1.0 0.0 3.05 667 551 A 31 ALA HB% A 31 ALA H 1.0 0.0 2.92 668 552 A 18 ALA H A 17 ALA HB% 1.0 0.0 3.38 669 553 A 20 ALA HA A 19 ILE HD1% 1.0 0.0 6.00 670 554 A 16 LEU HDy% A 16 LEU HA 1.0 0.0 2.90 671 555 A 6 LEU H A 3 LEU HA 1.0 0.0 4.75 672 556 A 2 THR HA A 3 LEU HBx 1.0 0.0 4.82 673 556 A 3 LEU HBy A 2 THR HA 1.0 0.0 4.82 674 557 A 8 ILE H A 4 ILE HD1% 1.0 0.0 5.67 675 558 A 7 LEU H A 4 ILE HD1% 1.0 0.0 5.34 676 559 A 13 ILE H A 12 ILE HB 1.0 0.0 4.45 677 560 A 8 ILE H A 8 ILE HD1% 1.0 0.0 3.33 678 561 A 13 ILE H A 10 VAL HA 1.0 0.0 4.03 679 562 A 14 GLY H A 11 ALA HA 1.0 0.0 4.73 680 563 A 11 ALA HB% A 11 ALA H 1.0 0.0 2.76 681 564 A 14 GLY H A 15 ILE HD1% 1.0 0.0 4.62 682 565 A 11 ALA HB% A 15 ILE HD1% 1.0 0.0 3.28 683 566 A 15 ILE H A 15 ILE HD1% 1.0 0.0 2.81 684 567 A 13 ILE HA A 16 LEU HBx 1.0 0.0 5.77 685 567 A 16 LEU HBy A 13 ILE HA 1.0 0.0 5.77 686 568 A 17 ALA H A 16 LEU HDx% 1.0 0.0 5.13 687 569 A 17 ALA H A 17 ALA HB% 1.0 0.0 2.99 688 570 A 20 ALA H A 18 ALA HA 1.0 0.0 4.48 689 571 A 18 ALA HB% A 15 ILE HA 1.0 0.0 3.74 690 572 A 46 ALA HB% A 47 LEU HBx 1.0 0.0 5.96 691 572 A 47 LEU HBy A 46 ALA HB% 1.0 0.0 5.96 692 573 A 18 ALA HB% A 18 ALA H 1.0 0.0 3.05 693 574 A 19 ILE HG1y A 19 ILE HA 1.0 0.0 3.66 694 575 A 18 ALA HB% A 19 ILE HB 1.0 0.0 6.00 695 576 A 20 ALA HB% A 19 ILE HB 1.0 0.0 6.00 696 577 A 19 ILE H A 19 ILE HB 1.0 0.0 3.83 697 578 A 16 LEU H A 19 ILE HD1% 1.0 0.0 5.27 698 579 A 19 ILE H A 19 ILE HD1% 1.0 0.0 3.83 699 580 A 19 ILE HD1% A 19 ILE HA 1.0 0.0 3.32 700 581 A 19 ILE HG1y A 20 ALA H 1.0 0.0 4.60 701 582 A 19 ILE HG2% A 19 ILE HA 1.0 0.0 3.14 702 583 A 19 ILE HG2% A 20 ALA HA 1.0 0.0 6.00 703 584 A 21 ILE HD1% A 20 ALA HA 1.0 0.0 6.00 704 585 A 20 ALA HA A 23 GLN HGx 1.0 0.0 5.08 705 585 A 20 ALA HA A 23 GLN HGy 1.0 0.0 5.08 706 586 A 20 ALA HA A 23 GLN HBx 1.0 0.0 4.34 707 586 A 23 GLN HBy A 20 ALA HA 1.0 0.0 4.34 708 587 A 20 ALA HB% A 17 ALA HA 1.0 0.0 3.62 709 588 A 20 ALA HB% A 19 ILE H 1.0 0.0 4.25 710 589 A 20 ALA HB% A 20 ALA H 1.0 0.0 3.02 711 590 A 17 ALA H A 21 ILE HD1% 1.0 0.0 6.00 712 591 A 21 ILE HD1% A 17 ALA HA 1.0 0.0 3.68 713 592 A 21 ILE HD1% A 18 ALA HA 1.0 0.0 3.90 714 593 A 21 ILE HD1% A 21 ILE H 1.0 0.0 3.59 715 594 A 21 ILE HD1% A 21 ILE HA 1.0 0.0 3.81 716 595 A 21 ILE HD1% A 21 ILE HB 1.0 0.0 3.36 717 596 A 21 ILE HG2% A 22 PRO HBx 1.0 0.0 4.14 718 597 A 21 ILE HG2% A 21 ILE HA 1.0 0.0 3.33 719 598 A 22 PRO HA A 21 ILE HG2% 1.0 0.0 4.82 720 599 A 21 ILE HG2% A 22 PRO HDy 1.0 0.0 4.32 721 600 A 25 SER H A 22 PRO HA 1.0 0.0 3.68 722 601 A 25 SER H A 22 PRO HBy 1.0 0.0 5.66 723 602 A 21 ILE H A 22 PRO HDx 1.0 0.0 4.45 724 603 A 21 ILE H A 22 PRO HDy 1.0 0.0 4.45 725 604 A 21 ILE HG2% A 22 PRO HDx 1.0 0.0 4.32 726 605 A 23 GLN HA A 23 GLN HGx 1.0 0.0 3.68 727 605 A 23 GLN HGy A 23 GLN HA 1.0 0.0 3.68 728 606 A 27 TYR H A 23 GLN HA 1.0 0.0 4.42 729 607 A 19 ILE HG2% A 23 GLN HBx 1.0 0.0 4.62 730 607 A 23 GLN HBy A 19 ILE HG2% 1.0 0.0 4.62 731 608 A 29 VAL H A 26 ALA HA 1.0 0.0 3.69 732 609 A 29 VAL HB A 26 ALA HA 1.0 0.0 4.86 733 610 A 30 LYS H A 26 ALA HA 1.0 0.0 5.52 734 611 A 27 TYR HBy A 26 ALA HB% 1.0 0.0 5.16 735 612 A 26 ALA HB% A 27 TYR H 1.0 0.0 3.26 736 613 A 26 ALA HB% A 23 GLN HBx 1.0 0.0 4.94 737 613 A 26 ALA HB% A 23 GLN HBy 1.0 0.0 4.94 738 614 A 26 ALA HB% A 25 SER HBx 1.0 0.0 5.37 739 614 A 26 ALA HB% A 25 SER HBy 1.0 0.0 5.37 740 615 A 26 ALA HB% A 27 TYR HBx 1.0 0.0 5.28 741 616 A 26 ALA HB% A 22 PRO HA 1.0 0.0 5.03 742 617 A 26 ALA H A 26 ALA HB% 1.0 0.0 3.06 743 618 A 28 ARG HA A 31 ALA H 1.0 0.0 3.13 744 619 A 29 VAL HA A 29 VAL HGx% 1.0 0.0 3.02 745 619 A 29 VAL HGy% A 29 VAL HA 1.0 0.0 3.02 746 620 A 32 TYR HA A 35 ALA HB% 1.0 0.0 5.50 747 621 A 35 ALA HB% A 39 ASP HBx 1.0 0.0 4.67 748 621 A 39 ASP HBy A 35 ALA HB% 1.0 0.0 4.67 749 622 A 36 ALA HB% A 39 ASP HBx 1.0 0.0 5.09 750 622 A 39 ASP HBy A 36 ALA HB% 1.0 0.0 5.09 751 623 A 36 ALA HB% A 33 ASN HA 1.0 0.0 5.05 752 624 A 38 SER HA A 41 ARG HBx 1.0 0.0 4.29 753 624 A 41 ARG HBy A 38 SER HA 1.0 0.0 4.29 754 625 A 39 ASP HA A 43 LEU HG 1.0 0.0 4.72 755 626 A 45 THR HG2% A 45 THR HA 1.0 0.0 3.18 756 627 A 50 ALA H A 46 ALA HA 1.0 0.0 6.00 757 628 A 46 ALA H A 46 ALA HB% 1.0 0.0 2.86 758 629 A 31 ALA HB% A 28 ARG HA 1.0 0.0 5.21 759 630 A 47 LEU HA A 50 ALA HB% 1.0 0.0 5.52 760 631 A 47 LEU HA A 47 LEU HG 1.0 0.0 4.19 761 632 A 47 LEU HA A 47 LEU HDx% 1.0 0.0 3.22 762 632 A 47 LEU HDy% A 47 LEU HA 1.0 0.0 3.22 763 633 A 48 GLU HA A 48 GLU HGy 1.0 0.0 3.94 764 634 A 48 GLU HA A 48 GLU HGx 1.0 0.0 3.94 765 635 A 51 PHE H A 51 PHE HBy 1.0 0.0 3.71 766 636 A 58 PRO HDy A 57 TYR HA 1.0 0.0 3.48 767 637 A 58 PRO HDx A 57 TYR HA 1.0 0.0 3.48 768 638 A 26 ALA HB% A 29 VAL HGx% 1.0 0.0 6.00 769 638 A 29 VAL HGy% A 26 ALA HB% 1.0 0.0 6.00 770 639 A 50 ALA HB% A 47 LEU HDx% 1.0 0.0 6.00 771 639 A 47 LEU HDy% A 50 ALA HB% 1.0 0.0 6.00 772 640 A 2 THR H A 5 GLU HBx 1.0 0.0 4.20 773 640 A 2 THR H A 5 GLU HBy 1.0 0.0 4.20 774 641 A 2 THR H A 5 GLU HGx 1.0 0.0 4.60 775 641 A 2 THR H A 5 GLU HGy 1.0 0.0 4.60 776 642 A 3 LEU HA A 5 GLU HBx 1.0 0.0 5.81 777 642 A 3 LEU HA A 5 GLU HBy 1.0 0.0 5.81 778 643 A 3 LEU HA A 7 LEU HBx 1.0 0.0 5.81 779 643 A 3 LEU HA A 7 LEU HBy 1.0 0.0 5.81 780 644 A 4 ILE H A 4 ILE HG1y 1.0 0.0 3.60 781 644 A 4 ILE H A 4 ILE HG1x 1.0 0.0 3.60 782 645 A 4 ILE H A 5 GLU HBx 1.0 0.0 5.81 783 645 A 4 ILE H A 5 GLU HBy 1.0 0.0 5.81 784 646 A 4 ILE H A 5 GLU HGx 1.0 0.0 5.81 785 646 A 4 ILE H A 5 GLU HGy 1.0 0.0 5.81 786 647 A 4 ILE H A 6 LEU HBy 1.0 0.0 5.30 787 647 A 4 ILE H A 6 LEU HBx 1.0 0.0 5.30 788 648 A 4 ILE HA A 4 ILE HG1y 1.0 0.0 3.51 789 648 A 4 ILE HA A 4 ILE HG1x 1.0 0.0 3.51 790 649 A 4 ILE HA A 6 LEU HBy 1.0 0.0 5.81 791 649 A 4 ILE HA A 6 LEU HBx 1.0 0.0 5.81 792 650 A 4 ILE HA A 7 LEU HBx 1.0 0.0 3.76 793 650 A 4 ILE HA A 7 LEU HBy 1.0 0.0 3.76 794 651 A 5 GLU H A 4 ILE HG1y 1.0 0.0 5.81 795 651 A 5 GLU H A 4 ILE HG1x 1.0 0.0 5.81 796 652 A 5 GLU H A 5 GLU HBx 1.0 0.0 3.35 797 652 A 5 GLU H A 5 GLU HBy 1.0 0.0 3.35 798 653 A 5 GLU H A 5 GLU HGx 1.0 0.0 3.79 799 653 A 5 GLU H A 5 GLU HGy 1.0 0.0 3.79 800 654 A 5 GLU H A 6 LEU HBy 1.0 0.0 5.12 801 654 A 5 GLU H A 6 LEU HBx 1.0 0.0 5.12 802 655 A 5 GLU H A 9 VAL HGy% 1.0 0.0 5.81 803 655 A 5 GLU H A 9 VAL HGx% 1.0 0.0 5.81 804 656 A 5 GLU HA A 9 VAL HGy% 1.0 0.0 4.89 805 656 A 5 GLU HA A 9 VAL HGx% 1.0 0.0 4.89 806 657 A 6 LEU H A 5 GLU HBx 1.0 0.0 3.55 807 657 A 6 LEU H A 5 GLU HBy 1.0 0.0 3.55 808 658 A 9 VAL H A 5 GLU HBx 1.0 0.0 5.32 809 658 A 9 VAL H A 5 GLU HBy 1.0 0.0 5.32 810 659 A 6 LEU H A 5 GLU HGx 1.0 0.0 4.76 811 659 A 6 LEU H A 5 GLU HGy 1.0 0.0 4.76 812 660 A 6 LEU H A 6 LEU HBy 1.0 0.0 3.36 813 660 A 6 LEU H A 6 LEU HBx 1.0 0.0 3.36 814 661 A 6 LEU H A 9 VAL HGy% 1.0 0.0 4.78 815 661 A 6 LEU H A 9 VAL HGx% 1.0 0.0 4.78 816 662 A 6 LEU HA A 9 VAL HGy% 1.0 0.0 4.07 817 662 A 6 LEU HA A 9 VAL HGx% 1.0 0.0 4.07 818 663 A 7 LEU H A 6 LEU HBy 1.0 0.0 3.74 819 663 A 7 LEU H A 6 LEU HBx 1.0 0.0 3.74 820 664 A 7 LEU H A 7 LEU HBx 1.0 0.0 3.13 821 664 A 7 LEU H A 7 LEU HBy 1.0 0.0 3.13 822 665 A 7 LEU H A 10 VAL HGy% 1.0 0.0 4.80 823 665 A 7 LEU H A 10 VAL HGx% 1.0 0.0 4.80 824 666 A 8 ILE H A 8 ILE HG1y 1.0 0.0 3.32 825 666 A 8 ILE H A 8 ILE HG1x 1.0 0.0 3.32 826 667 A 8 ILE HA A 8 ILE HG1y 1.0 0.0 3.15 827 667 A 8 ILE HA A 8 ILE HG1x 1.0 0.0 3.15 828 668 A 9 VAL H A 8 ILE HG1y 1.0 0.0 4.39 829 668 A 9 VAL H A 8 ILE HG1x 1.0 0.0 4.39 830 669 A 9 VAL H A 9 VAL HGy% 1.0 0.0 2.81 831 669 A 9 VAL H A 9 VAL HGx% 1.0 0.0 2.81 832 670 A 9 VAL HA A 9 VAL HGy% 1.0 0.0 3.05 833 670 A 9 VAL HA A 9 VAL HGx% 1.0 0.0 3.05 834 671 A 9 VAL HA A 12 ILE HG1x 1.0 0.0 3.78 835 671 A 9 VAL HA A 12 ILE HG1y 1.0 0.0 3.78 836 672 A 10 VAL H A 9 VAL HGy% 1.0 0.0 3.77 837 672 A 10 VAL H A 9 VAL HGx% 1.0 0.0 3.77 838 673 A 10 VAL H A 10 VAL HGy% 1.0 0.0 2.76 839 673 A 10 VAL H A 10 VAL HGx% 1.0 0.0 2.76 840 674 A 10 VAL HA A 10 VAL HGy% 1.0 0.0 2.93 841 674 A 10 VAL HA A 10 VAL HGx% 1.0 0.0 2.93 842 675 A 11 ALA H A 10 VAL HGy% 1.0 0.0 3.44 843 675 A 11 ALA H A 10 VAL HGx% 1.0 0.0 3.44 844 676 A 11 ALA HA A 10 VAL HGy% 1.0 0.0 4.18 845 676 A 11 ALA HA A 10 VAL HGx% 1.0 0.0 4.18 846 677 A 14 GLY H A 10 VAL HGy% 1.0 0.0 4.60 847 677 A 14 GLY H A 10 VAL HGx% 1.0 0.0 4.60 848 678 A 10 VAL HGy% A 14 GLY HA2 1.0 0.0 4.38 849 678 A 10 VAL HGx% A 14 GLY HA2 1.0 0.0 4.38 850 678 A 14 GLY HA3 A 10 VAL HGy% 1.0 0.0 4.38 851 678 A 14 GLY HA3 A 10 VAL HGx% 1.0 0.0 4.38 852 679 A 11 ALA HA A 12 ILE HG1x 1.0 0.0 5.81 853 679 A 11 ALA HA A 12 ILE HG1y 1.0 0.0 5.81 854 680 A 12 ILE H A 12 ILE HG1x 1.0 0.0 3.07 855 680 A 12 ILE H A 12 ILE HG1y 1.0 0.0 3.07 856 681 A 13 ILE H A 12 ILE HG1x 1.0 0.0 4.11 857 681 A 13 ILE H A 12 ILE HG1y 1.0 0.0 4.11 858 682 A 13 ILE HA A 13 ILE HG1y 1.0 0.0 3.67 859 682 A 13 ILE HA A 13 ILE HG1x 1.0 0.0 3.67 860 683 A 14 GLY H A 13 ILE HG1y 1.0 0.0 5.21 861 683 A 14 GLY H A 13 ILE HG1x 1.0 0.0 5.21 862 684 A 17 ALA H A 13 ILE HG1y 1.0 0.0 5.81 863 684 A 17 ALA H A 13 ILE HG1x 1.0 0.0 5.81 864 685 A 20 ALA HB% A 23 GLN HE2x 1.0 0.0 4.39 865 685 A 20 ALA HB% A 23 GLN HE2y 1.0 0.0 4.39 866 686 A 21 ILE HB A 22 PRO HDy 1.0 0.0 5.14 867 686 A 21 ILE HB A 22 PRO HDx 1.0 0.0 5.14 868 687 A 21 ILE HG2% A 22 PRO HDy 1.0 0.0 3.79 869 687 A 21 ILE HG2% A 22 PRO HDx 1.0 0.0 3.79 870 688 A 21 ILE HG2% A 24 PHE HBx 1.0 0.0 4.91 871 688 A 21 ILE HG2% A 24 PHE HBy 1.0 0.0 4.91 872 689 A 25 SER H A 22 PRO HDy 1.0 0.0 5.12 873 689 A 25 SER H A 22 PRO HDx 1.0 0.0 5.12 874 690 A 23 GLN HA A 24 PHE HBx 1.0 0.0 5.81 875 690 A 23 GLN HA A 24 PHE HBy 1.0 0.0 5.81 876 691 A 23 GLN HE2y A 24 PHE HBx 1.0 0.0 4.24 877 691 A 23 GLN HE2x A 24 PHE HBx 1.0 0.0 4.24 878 691 A 24 PHE HBy A 23 GLN HE2x 1.0 0.0 4.24 879 691 A 23 GLN HE2y A 24 PHE HBy 1.0 0.0 4.24 880 692 A 25 SER HA A 24 PHE HBx 1.0 0.0 5.81 881 692 A 25 SER HA A 24 PHE HBy 1.0 0.0 5.81 882 693 A 26 ALA H A 24 PHE HBx 1.0 0.0 5.81 883 693 A 26 ALA H A 24 PHE HBy 1.0 0.0 5.81 884 694 A 27 TYR H A 24 PHE HBx 1.0 0.0 4.58 885 694 A 27 TYR H A 24 PHE HBy 1.0 0.0 4.58 886 695 A 27 TYR HA A 30 LYS HGy 1.0 0.0 5.04 887 695 A 27 TYR HA A 30 LYS HGx 1.0 0.0 5.04 888 696 A 28 ARG H A 30 LYS HGy 1.0 0.0 5.81 889 696 A 28 ARG H A 30 LYS HGx 1.0 0.0 5.81 890 697 A 29 VAL H A 30 LYS HGy 1.0 0.0 5.43 891 697 A 29 VAL H A 30 LYS HGx 1.0 0.0 5.43 892 698 A 30 LYS H A 30 LYS HGy 1.0 0.0 4.10 893 698 A 30 LYS H A 30 LYS HGx 1.0 0.0 4.10 894 699 A 30 LYS HA A 33 ASN HBx 1.0 0.0 5.02 895 699 A 30 LYS HA A 33 ASN HBy 1.0 0.0 5.02 896 700 A 31 ALA H A 30 LYS HGy 1.0 0.0 5.14 897 700 A 31 ALA H A 30 LYS HGx 1.0 0.0 5.14 898 701 A 34 SER H A 30 LYS HGy 1.0 0.0 4.45 899 701 A 34 SER H A 30 LYS HGx 1.0 0.0 4.45 900 702 A 30 LYS HGx A 34 SER HBy 1.0 0.0 4.95 901 702 A 30 LYS HGy A 34 SER HBy 1.0 0.0 4.95 902 702 A 34 SER HBx A 30 LYS HGy 1.0 0.0 4.95 903 702 A 30 LYS HGx A 34 SER HBx 1.0 0.0 4.95 904 703 A 31 ALA H A 33 ASN HBx 1.0 0.0 5.81 905 703 A 31 ALA H A 33 ASN HBy 1.0 0.0 5.81 906 704 A 32 TYR H A 33 ASN HBx 1.0 0.0 5.81 907 704 A 32 TYR H A 33 ASN HBy 1.0 0.0 5.81 908 705 A 33 ASN H A 33 ASN HBx 1.0 0.0 3.04 909 705 A 33 ASN H A 33 ASN HBy 1.0 0.0 3.04 910 706 A 34 SER HA A 33 ASN HBx 1.0 0.0 5.22 911 706 A 33 ASN HBy A 34 SER HA 1.0 0.0 5.22 912 707 A 35 ALA H A 33 ASN HBx 1.0 0.0 5.43 913 707 A 35 ALA H A 33 ASN HBy 1.0 0.0 5.43 914 708 A 36 ALA H A 33 ASN HBx 1.0 0.0 5.05 915 708 A 36 ALA H A 33 ASN HBy 1.0 0.0 5.05 916 709 A 37 SER H A 33 ASN HBx 1.0 0.0 5.81 917 709 A 37 SER H A 33 ASN HBy 1.0 0.0 5.81 918 710 A 34 SER H A 34 SER HBy 1.0 0.0 3.20 919 710 A 34 SER H A 34 SER HBx 1.0 0.0 3.20 920 711 A 35 ALA H A 34 SER HBy 1.0 0.0 3.31 921 711 A 35 ALA H A 34 SER HBx 1.0 0.0 3.31 922 712 A 35 ALA HB% A 34 SER HBy 1.0 0.0 5.05 923 712 A 35 ALA HB% A 34 SER HBx 1.0 0.0 5.05 924 713 A 36 ALA H A 34 SER HBy 1.0 0.0 5.13 925 713 A 36 ALA H A 34 SER HBx 1.0 0.0 5.13 926 714 A 36 ALA H A 37 SER HBy 1.0 0.0 5.81 927 714 A 36 ALA H A 37 SER HBx 1.0 0.0 5.81 928 715 A 37 SER H A 40 LEU HDy% 1.0 0.0 5.56 929 715 A 37 SER H A 40 LEU HDx% 1.0 0.0 5.56 930 716 A 37 SER HA A 40 LEU HDy% 1.0 0.0 4.29 931 716 A 37 SER HA A 40 LEU HDx% 1.0 0.0 4.29 932 717 A 41 ARG H A 37 SER HBy 1.0 0.0 5.47 933 717 A 41 ARG H A 37 SER HBx 1.0 0.0 5.47 934 718 A 37 SER HBy A 41 ARG HBx 1.0 0.0 5.81 935 718 A 37 SER HBx A 41 ARG HBx 1.0 0.0 5.81 936 718 A 41 ARG HBy A 37 SER HBy 1.0 0.0 5.81 937 718 A 41 ARG HBy A 37 SER HBx 1.0 0.0 5.81 938 719 A 38 SER H A 38 SER HBy 1.0 0.0 3.12 939 719 A 38 SER H A 38 SER HBx 1.0 0.0 3.12 940 720 A 38 SER H A 40 LEU HDy% 1.0 0.0 5.92 941 720 A 38 SER H A 40 LEU HDx% 1.0 0.0 5.92 942 721 A 39 ASP H A 38 SER HBy 1.0 0.0 3.55 943 721 A 39 ASP H A 38 SER HBx 1.0 0.0 3.55 944 722 A 40 LEU HA A 40 LEU HDy% 1.0 0.0 3.19 945 722 A 40 LEU HA A 40 LEU HDx% 1.0 0.0 3.19 946 723 A 41 ARG H A 40 LEU HDy% 1.0 0.0 4.44 947 723 A 41 ARG H A 40 LEU HDx% 1.0 0.0 4.44 948 724 A 41 ARG HA A 44 LYS HGx 1.0 0.0 5.53 949 724 A 41 ARG HA A 44 LYS HGy 1.0 0.0 5.53 950 725 A 44 LYS H A 44 LYS HGx 1.0 0.0 4.26 951 725 A 44 LYS H A 44 LYS HGy 1.0 0.0 4.26 952 726 A 44 LYS HA A 44 LYS HGx 1.0 0.0 3.70 953 726 A 44 LYS HA A 44 LYS HGy 1.0 0.0 3.70 954 727 A 45 THR H A 44 LYS HGx 1.0 0.0 4.62 955 727 A 45 THR H A 44 LYS HGy 1.0 0.0 4.62 956 728 A 45 THR HA A 44 LYS HGx 1.0 0.0 5.04 957 728 A 45 THR HA A 44 LYS HGy 1.0 0.0 5.04 958 729 A 45 THR HB A 44 LYS HGx 1.0 0.0 5.69 959 729 A 45 THR HB A 44 LYS HGy 1.0 0.0 5.69 960 730 A 46 ALA H A 44 LYS HGx 1.0 0.0 5.81 961 730 A 46 ALA H A 44 LYS HGy 1.0 0.0 5.81 962 731 A 48 GLU H A 44 LYS HGx 1.0 0.0 4.85 963 731 A 48 GLU H A 44 LYS HGy 1.0 0.0 4.85 964 732 A 45 THR H A 48 GLU HGy 1.0 0.0 5.64 965 732 A 45 THR H A 48 GLU HGx 1.0 0.0 5.64 966 733 A 45 THR HA A 48 GLU HBy 1.0 0.0 4.37 967 733 A 45 THR HA A 48 GLU HBx 1.0 0.0 4.37 968 734 A 45 THR HA A 48 GLU HGy 1.0 0.0 4.63 969 734 A 45 THR HA A 48 GLU HGx 1.0 0.0 4.63 970 735 A 45 THR HG2% A 48 GLU HBy 1.0 0.0 5.81 971 735 A 45 THR HG2% A 48 GLU HBx 1.0 0.0 5.81 972 736 A 46 ALA HA A 49 SER HBx 1.0 0.0 3.90 973 736 A 46 ALA HA A 49 SER HBy 1.0 0.0 3.90 974 737 A 47 LEU H A 48 GLU HBy 1.0 0.0 5.39 975 737 A 47 LEU H A 48 GLU HBx 1.0 0.0 5.39 976 738 A 48 GLU H A 48 GLU HBy 1.0 0.0 3.31 977 738 A 48 GLU H A 48 GLU HBx 1.0 0.0 3.31 978 739 A 48 GLU H A 48 GLU HGy 1.0 0.0 3.63 979 739 A 48 GLU H A 48 GLU HGx 1.0 0.0 3.63 980 740 A 48 GLU HA A 48 GLU HGy 1.0 0.0 3.44 981 740 A 48 GLU HA A 48 GLU HGx 1.0 0.0 3.44 982 741 A 48 GLU HA A 51 PHE HBx 1.0 0.0 5.81 983 741 A 48 GLU HA A 51 PHE HBy 1.0 0.0 5.81 984 742 A 49 SER H A 48 GLU HBy 1.0 0.0 3.70 985 742 A 49 SER H A 48 GLU HBx 1.0 0.0 3.70 986 743 A 50 ALA H A 48 GLU HBy 1.0 0.0 5.01 987 743 A 50 ALA H A 48 GLU HBx 1.0 0.0 5.01 988 744 A 49 SER H A 48 GLU HGy 1.0 0.0 4.62 989 744 A 49 SER H A 48 GLU HGx 1.0 0.0 4.62 990 745 A 49 SER H A 49 SER HBx 1.0 0.0 3.40 991 745 A 49 SER H A 49 SER HBy 1.0 0.0 3.40 992 746 A 50 ALA H A 49 SER HBx 1.0 0.0 3.93 993 746 A 50 ALA H A 49 SER HBy 1.0 0.0 3.93 994 747 A 50 ALA HA A 49 SER HBx 1.0 0.0 5.81 995 747 A 50 ALA HA A 49 SER HBy 1.0 0.0 5.81 996 748 A 51 PHE H A 49 SER HBx 1.0 0.0 5.37 997 748 A 51 PHE H A 49 SER HBy 1.0 0.0 5.37 998 749 A 50 ALA H A 51 PHE HBx 1.0 0.0 5.13 999 749 A 50 ALA H A 51 PHE HBy 1.0 0.0 5.13 1000 750 A 50 ALA HB% A 51 PHE HBx 1.0 0.0 5.54 1001 750 A 50 ALA HB% A 51 PHE HBy 1.0 0.0 5.54 1002 751 A 51 PHE H A 51 PHE HBx 1.0 0.0 3.25 1003 751 A 51 PHE H A 51 PHE HBy 1.0 0.0 3.25 1004 752 A 51 PHE HA A 55 GLN HE2x 1.0 0.0 4.83 1005 752 A 51 PHE HA A 55 GLN HE2y 1.0 0.0 4.83 1006 753 A 52 ALA H A 51 PHE HBx 1.0 0.0 3.86 1007 753 A 52 ALA H A 51 PHE HBy 1.0 0.0 3.86 1008 754 A 53 ASP H A 51 PHE HBx 1.0 0.0 5.81 1009 754 A 53 ASP H A 51 PHE HBy 1.0 0.0 5.81 1010 755 A 51 PHE HBy A 55 GLN HE2x 1.0 0.0 3.82 1011 755 A 51 PHE HBx A 55 GLN HE2x 1.0 0.0 3.82 1012 755 A 55 GLN HE2y A 51 PHE HBx 1.0 0.0 3.82 1013 755 A 51 PHE HBy A 55 GLN HE2y 1.0 0.0 3.82 1014 756 A 53 ASP H A 53 ASP HBx 1.0 0.0 3.29 1015 756 A 53 ASP H A 53 ASP HBy 1.0 0.0 3.29 1016 757 A 56 THR H A 55 GLN HBx 1.0 0.0 4.40 1017 757 A 56 THR H A 55 GLN HBy 1.0 0.0 4.40 1018 758 A 57 TYR H A 55 GLN HBx 1.0 0.0 5.81 1019 758 A 57 TYR H A 55 GLN HBy 1.0 0.0 5.81 1020 759 A 56 THR H A 57 TYR HBx 1.0 0.0 5.81 1021 759 A 56 THR H A 57 TYR HBy 1.0 0.0 5.81 1022 760 A 57 TYR H A 57 TYR HBx 1.0 0.0 3.52 1023 760 A 57 TYR H A 57 TYR HBy 1.0 0.0 3.52 1024 761 A 59 PRO HA A 60 GLU HBx 1.0 0.0 4.82 1025 761 A 59 PRO HA A 60 GLU HBy 1.0 0.0 4.82 1026 762 A 60 GLU H A 60 GLU HGy 1.0 0.0 3.90 1027 762 A 60 GLU H A 60 GLU HGx 1.0 0.0 3.90 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 9 VAL N A 5 GLU O 1.0 2.8 3.3 2 2 A 10 VAL N A 6 LEU O 1.0 2.8 3.3 3 3 A 12 ILE N A 8 ILE O 1.0 2.8 3.3 4 4 A 13 ILE N A 9 VAL O 1.0 2.8 3.3 5 5 A 14 GLY N A 10 VAL O 1.0 2.8 3.3 6 6 A 15 ILE N A 11 ALA O 1.0 2.8 3.3 7 7 A 16 LEU N A 12 ILE O 1.0 2.8 3.3 8 8 A 17 ALA N A 13 ILE O 1.0 2.8 3.3 9 9 A 18 ALA N A 14 GLY O 1.0 2.8 3.3 10 10 A 19 ILE N A 15 ILE O 1.0 2.8 3.3 11 11 A 20 ALA N A 16 LEU O 1.0 2.8 3.3 12 12 A 25 SER N A 21 ILE O 1.0 2.8 3.3 13 13 A 27 TYR N A 23 GLN O 1.0 2.8 3.3 14 14 A 28 ARG N A 24 PHE O 1.0 2.8 3.3 15 15 A 30 LYS N A 26 ALA O 1.0 2.8 3.3 16 16 A 33 ASN N A 29 VAL O 1.0 2.8 3.3 17 17 A 34 SER N A 30 LYS O 1.0 2.8 3.3 18 18 A 35 ALA N A 31 ALA O 1.0 2.8 3.3 19 19 A 37 SER N A 33 ASN O 1.0 2.8 3.3 20 20 A 38 SER N A 34 SER O 1.0 2.8 3.3 21 21 A 40 LEU N A 36 ALA O 1.0 2.8 3.3 22 22 A 41 ARG N A 37 SER O 1.0 2.8 3.3 23 23 A 46 ALA N A 42 ASN O 1.0 2.8 3.3 24 24 A 50 ALA N A 46 ALA O 1.0 2.8 3.3 25 25 A 8 ILE N A 4 ILE O 1.0 2.8 3.3 26 26 A 21 ILE N A 17 ALA O 1.0 2.8 3.3 27 27 A 11 ALA N A 7 LEU O 1.0 2.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 THR C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -78.4 -38.4 PHI 2 2 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 ILE N 1.0 -59.3 -19.3 PSI 3 3 A 3 LEU C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -86.6 -46.6 PHI 4 4 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 GLU N 1.0 -56.3 -16.3 PSI 5 5 A 4 ILE C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -83.4 -41.6 PHI 6 6 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 LEU N 1.0 -62.2 -22.2 PSI 7 7 A 5 GLU C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -85.6 -45.6 PHI 8 8 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 LEU N 1.0 -59.2 -19.2 PSI 9 9 A 6 LEU C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -84.3 -44.3 PHI 10 10 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 ILE N 1.0 -56.6 -12.0 PSI 11 11 A 7 LEU C A 8 ILE N A 8 ILE CA A 8 ILE C 1.0 -82.5 -42.5 PHI 12 12 A 8 ILE N A 8 ILE CA A 8 ILE C A 9 VAL N 1.0 -63.1 -23.1 PSI 13 13 A 8 ILE C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -83.9 -43.9 PHI 14 14 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 VAL N 1.0 -62.2 -22.2 PSI 15 15 A 9 VAL C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -82.3 -42.3 PHI 16 16 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 ALA N 1.0 -62.9 -22.9 PSI 17 17 A 10 VAL C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -80.7 -40.7 PHI 18 18 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 ILE N 1.0 -60.2 -20.2 PSI 19 19 A 11 ALA C A 12 ILE N A 12 ILE CA A 12 ILE C 1.0 -82.4 -42.4 PHI 20 20 A 12 ILE N A 12 ILE CA A 12 ILE C A 13 ILE N 1.0 -61.9 -21.9 PSI 21 21 A 12 ILE C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -82.3 -42.3 PHI 22 22 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 GLY N 1.0 -58.8 -18.8 PSI 23 23 A 13 ILE C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 -82.9 -42.9 PHI 24 24 A 14 GLY N A 14 GLY CA A 14 GLY C A 15 ILE N 1.0 -62.2 -22.2 PSI 25 25 A 14 GLY C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -81.3 -41.3 PHI 26 26 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 LEU N 1.0 -62.4 -22.4 PSI 27 27 A 15 ILE C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -79.7 -39.7 PHI 28 28 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 ALA N 1.0 -61.9 -21.9 PSI 29 29 A 16 LEU C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -83.1 -43.1 PHI 30 30 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 ALA N 1.0 -58.4 -18.4 PSI 31 31 A 17 ALA C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -91.0 -51.0 PHI 32 32 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 ILE N 1.0 -62.6 -22.6 PSI 33 33 A 18 ALA C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -96.8 -50.6 PHI 34 34 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 ALA N 1.0 -55.5 -5.1 PSI 35 35 A 19 ILE C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -120.7 -47.7 PHI 36 36 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 ILE N 1.0 -59.7 2.7 PSI 37 37 A 20 ALA C A 21 ILE N A 21 ILE CA A 21 ILE C 1.0 -109.0 -25.0 PHI 38 38 A 21 ILE N A 21 ILE CA A 21 ILE C A 22 PRO N 1.0 -76.0 4.0 PSI 39 39 A 22 PRO N A 22 PRO CA A 22 PRO C A 23 GLN N 1.0 -57.8 -8.0 PSI 40 40 A 22 PRO C A 23 GLN N A 23 GLN CA A 23 GLN C 1.0 -88.5 -48.5 PHI 41 41 A 23 GLN N A 23 GLN CA A 23 GLN C A 24 PHE N 1.0 -44.3 -4.3 PSI 42 42 A 23 GLN C A 24 PHE N A 24 PHE CA A 24 PHE C 1.0 -101.1 -36.5 PHI 43 43 A 24 PHE N A 24 PHE CA A 24 PHE C A 25 SER N 1.0 -67.2 -8.4 PSI 44 44 A 24 PHE C A 25 SER N A 25 SER CA A 25 SER C 1.0 -83.0 -43.0 PHI 45 45 A 25 SER N A 25 SER CA A 25 SER C A 26 ALA N 1.0 -59.2 -11.0 PSI 46 46 A 25 SER C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -87.6 -47.6 PHI 47 47 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 TYR N 1.0 -59.8 -16.2 PSI 48 48 A 26 ALA C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -98.0 -42.6 PHI 49 49 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 ARG N 1.0 -64.1 4.5 PSI 50 50 A 27 TYR C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -86.8 -44.4 PHI 51 51 A 28 ARG N A 28 ARG CA A 28 ARG C A 29 VAL N 1.0 -57.0 -17.0 PSI 52 52 A 28 ARG C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -118.7 -41.7 PHI 53 53 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 LYS N 1.0 -69.0 20.8 PSI 54 54 A 29 VAL C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -86.0 -46.0 PHI 55 55 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 ALA N 1.0 -56.5 -5.7 PSI 56 56 A 30 LYS C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -107.1 -45.7 PHI 57 57 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 TYR N 1.0 -55.6 1.0 PSI 58 58 A 31 ALA C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -123.2 -42.4 PHI 59 59 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 ASN N 1.0 -62.1 19.3 PSI 60 60 A 32 TYR C A 33 ASN N A 33 ASN CA A 33 ASN C 1.0 -111.9 -32.7 PHI 61 61 A 33 ASN N A 33 ASN CA A 33 ASN C A 34 SER N 1.0 -76.5 15.5 PSI 62 62 A 33 ASN C A 34 SER N A 34 SER CA A 34 SER C 1.0 -107.6 -31.4 PHI 63 63 A 34 SER N A 34 SER CA A 34 SER C A 35 ALA N 1.0 -74.0 9.8 PSI 64 64 A 34 SER C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -82.9 -42.9 PHI 65 65 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 ALA N 1.0 -58.3 -18.3 PSI 66 66 A 35 ALA C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -90.1 -44.9 PHI 67 67 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 SER N 1.0 -60.5 -20.5 PSI 68 68 A 36 ALA C A 37 SER N A 37 SER CA A 37 SER C 1.0 -93.5 -43.1 PHI 69 69 A 37 SER N A 37 SER CA A 37 SER C A 38 SER N 1.0 -59.1 -2.3 PSI 70 70 A 37 SER C A 38 SER N A 38 SER CA A 38 SER C 1.0 -84.1 -44.1 PHI 71 71 A 38 SER N A 38 SER CA A 38 SER C A 39 ASP N 1.0 -58.1 -10.1 PSI 72 72 A 38 SER C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -87.1 -47.1 PHI 73 73 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 LEU N 1.0 -60.4 -14.4 PSI 74 74 A 39 ASP C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -102.6 -32.0 PHI 75 75 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 ARG N 1.0 -62.3 -15.1 PSI 76 76 A 40 LEU C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -81.4 -41.4 PHI 77 77 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 ASN N 1.0 -61.8 -21.8 PSI 78 78 A 41 ARG C A 42 ASN N A 42 ASN CA A 42 ASN C 1.0 -86.1 -46.1 PHI 79 79 A 42 ASN N A 42 ASN CA A 42 ASN C A 43 LEU N 1.0 -60.5 -20.5 PSI 80 80 A 42 ASN C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -104.9 -33.5 PHI 81 81 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 LYS N 1.0 -57.2 -16.6 PSI 82 82 A 43 LEU C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -81.9 -41.9 PHI 83 83 A 44 LYS N A 44 LYS CA A 44 LYS C A 45 THR N 1.0 -60.4 -20.4 PSI 84 84 A 44 LYS C A 45 THR N A 45 THR CA A 45 THR C 1.0 -84.2 -44.2 PHI 85 85 A 45 THR N A 45 THR CA A 45 THR C A 46 ALA N 1.0 -61.1 -21.1 PSI 86 86 A 45 THR C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -84.7 -44.7 PHI 87 87 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 LEU N 1.0 -61.9 -21.9 PSI 88 88 A 46 ALA C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -84.0 -44.0 PHI 89 89 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 GLU N 1.0 -62.3 -22.3 PSI 90 90 A 47 LEU C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -83.6 -43.6 PHI 91 91 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 SER N 1.0 -58.3 -15.7 PSI 92 92 A 48 GLU C A 49 SER N A 49 SER CA A 49 SER C 1.0 -81.2 -41.2 PHI 93 93 A 49 SER N A 49 SER CA A 49 SER C A 50 ALA N 1.0 -60.2 -10.0 PSI 94 94 A 49 SER C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -92.1 -52.1 PHI 95 95 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 PHE N 1.0 -52.6 -6.6 PSI 96 96 A 50 ALA C A 51 PHE N A 51 PHE CA A 51 PHE C 1.0 -134.0 -66.6 PHI 97 97 A 51 PHE N A 51 PHE CA A 51 PHE C A 52 ALA N 1.0 -42.0 31.4 PSI 98 98 A 52 ALA C A 53 ASP N A 53 ASP CA A 53 ASP C 1.0 -130.1 -39.5 PHI 99 99 A 53 ASP N A 53 ASP CA A 53 ASP C A 54 ASP N 1.0 -57.9 24.1 PSI 100 100 A 54 ASP C A 55 GLN N A 55 GLN CA A 55 GLN C 1.0 -133.9 -43.9 PHI 101 101 A 55 GLN N A 55 GLN CA A 55 GLN C A 56 THR N 1.0 -62.5 39.9 PSI 102 102 A 56 THR C A 57 TYR N A 57 TYR CA A 57 TYR C 1.0 -147.6 -44.4 PHI 103 103 A 57 TYR N A 57 TYR CA A 57 TYR C A 58 PRO N 1.0 52.5 190.1 PSI 104 104 A 58 PRO N A 58 PRO CA A 58 PRO C A 59 PRO N 1.0 134.2 176.6 PSI stop_ save_