data_nef_c34459_6tj3 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6TJ3 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ALA middle . . 3 A 3 SER middle . . 4 A 4 ASP middle . . 5 A 5 MET middle . . 6 A 6 GLU middle . . 7 A 7 GLU middle . . 8 A 8 LYS middle . . 9 A 9 PHE middle . . 10 A 10 ARG middle . . 11 A 11 GLU middle . . 12 A 12 ALA middle . . 13 A 13 PHE middle . . 14 A 14 ILE middle . . 15 A 15 LEU middle . . 16 A 16 PHE middle . . 17 A 17 SER middle . . 18 A 18 SER middle . . 19 A 19 CYS middle . . 20 A 20 SER middle . . 21 A 21 ASP middle . . 22 A 22 HIS middle . . 23 A 23 ILE middle . . 24 A 24 GLU middle . . 25 A 25 MET middle . . 26 A 26 TYR middle . . 27 A 27 LYS middle . . 28 A 28 PHE middle . . 29 A 29 PHE middle . . 30 A 30 GLU middle . . 31 A 31 LEU middle . . 32 A 32 MET middle . . 33 A 33 ASN middle . . 34 A 34 SER middle . . 35 A 35 PHE middle . . 36 A 36 GLY middle . false 37 A 37 ILE middle . . 38 A 38 ILE middle . . 39 A 39 LEU middle . . 40 A 40 THR middle . . 41 A 41 ASN middle . . 42 A 42 ASP middle . . 43 A 43 GLU middle . . 44 A 44 LYS middle . . 45 A 45 ALA middle . . 46 A 46 ALA middle . . 47 A 47 LEU middle . . 48 A 48 PRO middle . false 49 A 49 ASN middle . . 50 A 50 ASP middle . . 51 A 51 ILE middle . . 52 A 52 ASN middle . . 53 A 53 MET middle . . 54 A 54 ASP middle . . 55 A 55 TYR middle . . 56 A 56 TRP middle . . 57 A 57 LEU middle . . 58 A 58 ASN middle . . 59 A 59 PHE middle . . 60 A 60 ALA middle . . 61 A 61 LYS middle . . 62 A 62 LYS middle . . 63 A 63 HIS middle . . 64 A 64 TYR middle . . 65 A 65 ASN middle . . 66 A 66 TYR middle . . 67 A 67 GLU middle . . 68 A 68 GLN middle . . 69 A 69 PRO middle . false 70 A 70 PHE middle . . 71 A 71 LYS middle . . 72 A 72 HIS middle . . 73 A 73 ILE middle . . 74 A 74 ASN end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 1 MET HA H 1 4.367 0.01 A 1 MET HBx H 1 2.091 0.01 A 1 MET HBy H 1 2.091 0.01 A 1 MET HG2 H 1 2.595 0.01 A 1 MET HG3 H 1 2.641 0.01 A 1 MET HE% H 1 2.119 0.01 A 1 MET CA C 13 57.597 0.01 A 1 MET CB C 13 32.140 0.01 A 1 MET CG C 13 31.842 0.01 A 1 MET CE C 13 16.925 0.01 A 2 ALA H H 1 8.547 0.01 A 2 ALA HA H 1 4.179 0.01 A 2 ALA HB% H 1 1.349 0.01 A 2 ALA CA C 13 54.535 0.01 A 2 ALA CB C 13 18.334 0.01 A 2 ALA N N 15 122.438 0.01 A 3 SER H H 1 8.349 0.01 A 3 SER HA H 1 4.238 0.01 A 3 SER HB2 H 1 3.800 0.01 A 3 SER HB3 H 1 4.010 0.01 A 3 SER CA C 13 60.625 0.01 A 3 SER CB C 13 62.595 0.01 A 3 SER N N 15 116.397 0.01 A 4 ASP H H 1 8.402 0.01 A 4 ASP HA H 1 4.444 0.01 A 4 ASP HB2 H 1 2.672 0.01 A 4 ASP HB3 H 1 2.807 0.01 A 4 ASP CA C 13 56.201 0.01 A 4 ASP CB C 13 40.119 0.01 A 4 ASP N N 15 124.593 0.01 A 5 MET H H 1 8.072 0.01 A 5 MET HA H 1 4.110 0.01 A 5 MET HBx H 1 1.804 0.01 A 5 MET HBy H 1 1.804 0.01 A 5 MET HG2 H 1 2.257 0.01 A 5 MET HG3 H 1 2.737 0.01 A 5 MET HE% H 1 1.598 0.01 A 5 MET CA C 13 60.063 0.01 A 5 MET CB C 13 32.229 0.01 A 5 MET CG C 13 31.146 0.01 A 5 MET CE C 13 17.771 0.01 A 5 MET N N 15 118.493 0.01 A 6 GLU H H 1 7.939 0.01 A 6 GLU HA H 1 3.736 0.01 A 6 GLU HB2 H 1 2.106 0.01 A 6 GLU HB3 H 1 2.106 0.01 A 6 GLU HG2 H 1 2.224 0.01 A 6 GLU HG3 H 1 2.294 0.01 A 6 GLU CA C 13 60.691 0.01 A 6 GLU CB C 13 29.053 0.01 A 6 GLU CG C 13 37.320 0.01 A 6 GLU N N 15 119.974 0.01 A 7 GLU H H 1 7.843 0.01 A 7 GLU HA H 1 4.122 0.01 A 7 GLU HB2 H 1 2.106 0.01 A 7 GLU HB3 H 1 2.106 0.01 A 7 GLU HG2 H 1 2.322 0.01 A 7 GLU HG3 H 1 2.411 0.01 A 7 GLU CA C 13 59.195 0.01 A 7 GLU CB C 13 29.053 0.01 A 7 GLU CG C 13 35.754 0.01 A 7 GLU N N 15 117.105 0.01 A 8 LYS H H 1 7.409 0.01 A 8 LYS HA H 1 4.201 0.01 A 8 LYS HB2 H 1 1.709 0.01 A 8 LYS HB3 H 1 1.795 0.01 A 8 LYS HG2 H 1 1.498 0.01 A 8 LYS HG3 H 1 1.603 0.01 A 8 LYS HDx H 1 1.603 0.01 A 8 LYS HDy H 1 1.603 0.01 A 8 LYS HE2 H 1 2.853 0.01 A 8 LYS HE3 H 1 2.813 0.01 A 8 LYS HZ1 H 1 7.351 0.01 A 8 LYS HZ2 H 1 7.351 0.01 A 8 LYS HZ3 H 1 7.351 0.01 A 8 LYS CA C 13 59.272 0.01 A 8 LYS CB C 13 31.713 0.01 A 8 LYS CG C 13 25.457 0.01 A 8 LYS CD C 13 28.959 0.01 A 8 LYS CE C 13 41.795 0.01 A 8 LYS N N 15 119.293 0.01 A 9 PHE H H 1 8.819 0.01 A 9 PHE HA H 1 4.653 0.01 A 9 PHE HB2 H 1 2.969 0.01 A 9 PHE HB3 H 1 3.099 0.01 A 9 PHE HD1 H 1 6.233 0.01 A 9 PHE HD2 H 1 6.233 0.01 A 9 PHE HE1 H 1 6.346 0.01 A 9 PHE HE2 H 1 6.346 0.01 A 9 PHE HZ H 1 6.190 0.01 A 9 PHE CA C 13 58.141 0.01 A 9 PHE CB C 13 37.360 0.01 A 9 PHE CD1 C 13 129.783 0.01 A 9 PHE CD2 C 13 129.783 0.01 A 9 PHE CE1 C 13 130.841 0.01 A 9 PHE CE2 C 13 130.841 0.01 A 9 PHE CZ C 13 129.113 0.01 A 9 PHE N N 15 120.018 0.01 A 10 ARG H H 1 8.828 0.01 A 10 ARG HA H 1 4.269 0.01 A 10 ARG HBx H 1 2.074 0.01 A 10 ARG HBy H 1 2.074 0.01 A 10 ARG HG2 H 1 1.815 0.01 A 10 ARG HG3 H 1 2.040 0.01 A 10 ARG HD2 H 1 3.257 0.01 A 10 ARG HD3 H 1 3.320 0.01 A 10 ARG HE H 1 7.767 0.01 A 10 ARG CA C 13 60.478 0.01 A 10 ARG CB C 13 30.946 0.01 A 10 ARG CG C 13 27.822 0.01 A 10 ARG CD C 13 43.022 0.01 A 10 ARG N N 15 124.170 0.01 A 10 ARG NE N 15 83.962 0.01 A 11 GLU H H 1 8.537 0.01 A 11 GLU HA H 1 4.047 0.01 A 11 GLU HB2 H 1 2.165 0.01 A 11 GLU HB3 H 1 2.228 0.01 A 11 GLU HG2 H 1 2.365 0.01 A 11 GLU HG3 H 1 2.541 0.01 A 11 GLU CA C 13 59.207 0.01 A 11 GLU CB C 13 29.771 0.01 A 11 GLU CG C 13 36.311 0.01 A 11 GLU N N 15 118.254 0.01 A 12 ALA H H 1 8.275 0.01 A 12 ALA HA H 1 4.518 0.01 A 12 ALA HB% H 1 1.944 0.01 A 12 ALA CA C 13 54.918 0.01 A 12 ALA CB C 13 19.987 0.01 A 12 ALA N N 15 119.988 0.01 A 13 PHE H H 1 8.019 0.01 A 13 PHE HA H 1 3.696 0.01 A 13 PHE HB2 H 1 3.073 0.01 A 13 PHE HB3 H 1 3.411 0.01 A 13 PHE HD1 H 1 6.903 0.01 A 13 PHE HD2 H 1 6.903 0.01 A 13 PHE HE1 H 1 7.167 0.01 A 13 PHE HE2 H 1 7.167 0.01 A 13 PHE HZ H 1 7.028 0.01 A 13 PHE CA C 13 62.411 0.01 A 13 PHE CB C 13 39.000 0.01 A 13 PHE CD1 C 13 132.153 0.01 A 13 PHE CD2 C 13 132.153 0.01 A 13 PHE CE1 C 13 130.831 0.01 A 13 PHE CE2 C 13 130.831 0.01 A 13 PHE CZ C 13 129.425 0.01 A 13 PHE N N 15 119.667 0.01 A 14 ILE H H 1 8.102 0.01 A 14 ILE HA H 1 3.920 0.01 A 14 ILE HB H 1 2.077 0.01 A 14 ILE HG12 H 1 1.371 0.01 A 14 ILE HG13 H 1 1.897 0.01 A 14 ILE HG2% H 1 0.998 0.01 A 14 ILE HD1% H 1 0.924 0.01 A 14 ILE CA C 13 64.759 0.01 A 14 ILE CB C 13 38.018 0.01 A 14 ILE CG1 C 13 28.987 0.01 A 14 ILE CG2 C 13 17.771 0.01 A 14 ILE CD1 C 13 12.936 0.01 A 14 ILE N N 15 119.850 0.01 A 15 LEU H H 1 7.827 0.01 A 15 LEU HA H 1 4.163 0.01 A 15 LEU HBx H 1 1.773 0.01 A 15 LEU HBy H 1 1.773 0.01 A 15 LEU HG H 1 1.390 0.01 A 15 LEU HD1% H 1 0.835 0.01 A 15 LEU HD2% H 1 0.751 0.01 A 15 LEU CA C 13 57.892 0.01 A 15 LEU CB C 13 41.965 0.01 A 15 LEU CG C 13 26.545 0.01 A 15 LEU CD1 C 13 23.944 0.01 A 15 LEU CD2 C 13 24.165 0.01 A 15 LEU N N 15 120.323 0.01 A 16 PHE H H 1 8.633 0.01 A 16 PHE HA H 1 4.172 0.01 A 16 PHE HBx H 1 2.700 0.01 A 16 PHE HBy H 1 2.700 0.01 A 16 PHE HD1 H 1 7.487 0.01 A 16 PHE HD2 H 1 7.487 0.01 A 16 PHE HE1 H 1 7.379 0.01 A 16 PHE HE2 H 1 7.379 0.01 A 16 PHE HZ H 1 7.283 0.01 A 16 PHE CA C 13 61.058 0.01 A 16 PHE CB C 13 39.700 0.01 A 16 PHE CD1 C 13 131.988 0.01 A 16 PHE CD2 C 13 131.988 0.01 A 16 PHE CE1 C 13 131.489 0.01 A 16 PHE CE2 C 13 131.489 0.01 A 16 PHE CZ C 13 130.006 0.01 A 16 PHE N N 15 117.660 0.01 A 17 SER H H 1 8.416 0.01 A 17 SER HA H 1 4.267 0.01 A 17 SER HB2 H 1 2.973 0.01 A 17 SER HB3 H 1 3.763 0.01 A 17 SER CA C 13 58.665 0.01 A 17 SER CB C 13 64.012 0.01 A 17 SER N N 15 114.306 0.01 A 18 SER H H 1 8.058 0.01 A 18 SER HA H 1 4.228 0.01 A 18 SER HBx H 1 4.047 0.01 A 18 SER HBy H 1 4.047 0.01 A 18 SER CA C 13 58.916 0.01 A 18 SER CB C 13 61.754 0.01 A 18 SER N N 15 116.898 0.01 A 19 CYS H H 1 8.827 0.01 A 19 CYS HA H 1 4.228 0.01 A 19 CYS HB2 H 1 3.073 0.01 A 19 CYS HB3 H 1 3.216 0.01 A 19 CYS CA C 13 58.916 0.01 A 19 CYS CB C 13 26.356 0.01 A 19 CYS N N 15 115.698 0.01 A 20 SER H H 1 7.959 0.01 A 20 SER HA H 1 4.704 0.01 A 20 SER HB2 H 1 3.921 0.01 A 20 SER HB3 H 1 3.937 0.01 A 20 SER CA C 13 57.816 0.01 A 20 SER CB C 13 64.371 0.01 A 20 SER N N 15 115.037 0.01 A 21 ASP H H 1 8.595 0.01 A 21 ASP HA H 1 4.701 0.01 A 21 ASP HBx H 1 2.615 0.01 A 21 ASP HBy H 1 2.615 0.01 A 21 ASP CA C 13 55.155 0.01 A 21 ASP CB C 13 41.257 0.01 A 21 ASP N N 15 120.360 0.01 A 22 HIS H H 1 7.855 0.01 A 22 HIS HA H 1 5.376 0.01 A 22 HIS HB2 H 1 2.945 0.01 A 22 HIS HB3 H 1 3.101 0.01 A 22 HIS HD2 H 1 6.933 0.01 A 22 HIS HE1 H 1 8.246 0.01 A 22 HIS CA C 13 54.719 0.01 A 22 HIS CB C 13 31.587 0.01 A 22 HIS CD2 C 13 120.749 0.01 A 22 HIS CE1 C 13 137.508 0.01 A 22 HIS N N 15 115.154 0.01 A 23 ILE H H 1 8.135 0.01 A 23 ILE HA H 1 4.331 0.01 A 23 ILE HB H 1 0.964 0.01 A 23 ILE HG12 H 1 1.115 0.01 A 23 ILE HG13 H 1 1.161 0.01 A 23 ILE HG2% H 1 0.655 0.01 A 23 ILE HD1% H 1 0.152 0.01 A 23 ILE CA C 13 58.643 0.01 A 23 ILE CB C 13 40.909 0.01 A 23 ILE CG1 C 13 28.436 0.01 A 23 ILE CG2 C 13 16.390 0.01 A 23 ILE CD1 C 13 14.536 0.01 A 23 ILE N N 15 120.492 0.01 A 24 GLU H H 1 8.555 0.01 A 24 GLU HA H 1 4.235 0.01 A 24 GLU HB2 H 1 1.707 0.01 A 24 GLU HB3 H 1 2.158 0.01 A 24 GLU HG2 H 1 2.398 0.01 A 24 GLU HG3 H 1 2.449 0.01 A 24 GLU CA C 13 56.390 0.01 A 24 GLU CB C 13 30.646 0.01 A 24 GLU CG C 13 36.779 0.01 A 24 GLU N N 15 126.787 0.01 A 25 MET H H 1 8.902 0.01 A 25 MET HA H 1 3.919 0.01 A 25 MET HB2 H 1 1.933 0.01 A 25 MET HB3 H 1 2.091 0.01 A 25 MET HG2 H 1 2.088 0.01 A 25 MET HG3 H 1 2.363 0.01 A 25 MET HE% H 1 1.872 0.01 A 25 MET CA C 13 58.393 0.01 A 25 MET CB C 13 30.381 0.01 A 25 MET CG C 13 31.231 0.01 A 25 MET CE C 13 16.343 0.01 A 25 MET N N 15 124.152 0.01 A 26 TYR H H 1 8.661 0.01 A 26 TYR HA H 1 4.264 0.01 A 26 TYR HB2 H 1 3.083 0.01 A 26 TYR HB3 H 1 3.186 0.01 A 26 TYR HD1 H 1 7.253 0.01 A 26 TYR HD2 H 1 7.253 0.01 A 26 TYR HE1 H 1 6.923 0.01 A 26 TYR HE2 H 1 6.923 0.01 A 26 TYR CA C 13 60.828 0.01 A 26 TYR CB C 13 36.120 0.01 A 26 TYR CD1 C 13 133.436 0.01 A 26 TYR CD2 C 13 133.436 0.01 A 26 TYR CE1 C 13 118.753 0.01 A 26 TYR CE2 C 13 118.753 0.01 A 26 TYR N N 15 114.713 0.01 A 27 LYS H H 1 6.504 0.01 A 27 LYS HA H 1 3.949 0.01 A 27 LYS HB2 H 1 1.628 0.01 A 27 LYS HB3 H 1 1.730 0.01 A 27 LYS HG2 H 1 0.891 0.01 A 27 LYS HG3 H 1 1.265 0.01 A 27 LYS HD2 H 1 1.650 0.01 A 27 LYS HD3 H 1 1.715 0.01 A 27 LYS HEx H 1 2.973 0.01 A 27 LYS HEy H 1 2.973 0.01 A 27 LYS HZ1 H 1 7.186 0.01 A 27 LYS HZ2 H 1 7.186 0.01 A 27 LYS HZ3 H 1 7.186 0.01 A 27 LYS CA C 13 56.546 0.01 A 27 LYS CB C 13 31.183 0.01 A 27 LYS CG C 13 23.906 0.01 A 27 LYS CD C 13 28.066 0.01 A 27 LYS CE C 13 41.740 0.01 A 27 LYS N N 15 121.290 0.01 A 28 PHE H H 1 8.352 0.01 A 28 PHE HA H 1 3.782 0.01 A 28 PHE HB2 H 1 2.675 0.01 A 28 PHE HB3 H 1 3.167 0.01 A 28 PHE HD1 H 1 6.806 0.01 A 28 PHE HD2 H 1 6.806 0.01 A 28 PHE HE1 H 1 7.093 0.01 A 28 PHE HE2 H 1 7.093 0.01 A 28 PHE HZ H 1 6.145 0.01 A 28 PHE CA C 13 60.759 0.01 A 28 PHE CB C 13 37.987 0.01 A 28 PHE CD1 C 13 131.436 0.01 A 28 PHE CD2 C 13 131.436 0.01 A 28 PHE CE1 C 13 131.802 0.01 A 28 PHE CE2 C 13 131.802 0.01 A 28 PHE CZ C 13 128.256 0.01 A 28 PHE N N 15 123.314 0.01 A 29 PHE H H 1 7.958 0.01 A 29 PHE HA H 1 4.345 0.01 A 29 PHE HB2 H 1 3.177 0.01 A 29 PHE HB3 H 1 3.272 0.01 A 29 PHE HD1 H 1 7.393 0.01 A 29 PHE HD2 H 1 7.393 0.01 A 29 PHE HE1 H 1 7.326 0.01 A 29 PHE HE2 H 1 7.326 0.01 A 29 PHE HZ H 1 7.325 0.01 A 29 PHE CA C 13 59.185 0.01 A 29 PHE CB C 13 36.729 0.01 A 29 PHE CD1 C 13 130.922 0.01 A 29 PHE CD2 C 13 130.922 0.01 A 29 PHE CE1 C 13 131.465 0.01 A 29 PHE CE2 C 13 131.465 0.01 A 29 PHE CZ C 13 129.979 0.01 A 29 PHE N N 15 117.427 0.01 A 30 GLU H H 1 7.260 0.01 A 30 GLU HA H 1 4.055 0.01 A 30 GLU HB3 H 1 2.165 0.01 A 30 GLU HG2 H 1 2.264 0.01 A 30 GLU HG3 H 1 2.614 0.01 A 30 GLU CA C 13 59.614 0.01 A 30 GLU CB C 13 29.741 0.01 A 30 GLU CG C 13 36.139 0.01 A 30 GLU N N 15 120.305 0.01 A 31 LEU H H 1 8.084 0.01 A 31 LEU HA H 1 2.819 0.01 A 31 LEU HB2 H 1 0.417 0.01 A 31 LEU HB3 H 1 1.418 0.01 A 31 LEU HG H 1 -0.006 0.01 A 31 LEU HD1% H 1 0.376 0.01 A 31 LEU HD2% H 1 -0.505 0.01 A 31 LEU CA C 13 57.194 0.01 A 31 LEU CB C 13 40.444 0.01 A 31 LEU CG C 13 26.111 0.01 A 31 LEU CD1 C 13 23.614 0.01 A 31 LEU CD2 C 13 26.035 0.01 A 31 LEU N N 15 124.019 0.01 A 32 MET H H 1 8.414 0.01 A 32 MET HA H 1 4.172 0.01 A 32 MET HB2 H 1 1.025 0.01 A 32 MET HB3 H 1 1.766 0.01 A 32 MET HG2 H 1 2.223 0.01 A 32 MET HG3 H 1 2.466 0.01 A 32 MET HE% H 1 1.395 0.01 A 32 MET CA C 13 54.866 0.01 A 32 MET CB C 13 29.679 0.01 A 32 MET CG C 13 31.085 0.01 A 32 MET CE C 13 14.915 0.01 A 32 MET N N 15 118.921 0.01 A 33 ASN H H 1 8.135 0.01 A 33 ASN HA H 1 4.523 0.01 A 33 ASN HB2 H 1 2.837 0.01 A 33 ASN HB3 H 1 2.939 0.01 A 33 ASN HD21 H 1 7.855 0.01 A 33 ASN HD22 H 1 6.966 0.01 A 33 ASN CA C 13 56.120 0.01 A 33 ASN CB C 13 38.407 0.01 A 33 ASN N N 15 120.286 0.01 A 33 ASN ND2 N 15 112.914 0.01 A 34 SER H H 1 8.001 0.01 A 34 SER HA H 1 4.273 0.01 A 34 SER HBx H 1 3.917 0.01 A 34 SER HBy H 1 3.917 0.01 A 34 SER CA C 13 61.541 0.01 A 34 SER CB C 13 62.445 0.01 A 34 SER N N 15 118.281 0.01 A 35 PHE H H 1 7.387 0.01 A 35 PHE HA H 1 4.881 0.01 A 35 PHE HB2 H 1 2.817 0.01 A 35 PHE HB3 H 1 4.055 0.01 A 35 PHE HD1 H 1 7.589 0.01 A 35 PHE HD2 H 1 7.589 0.01 A 35 PHE HE1 H 1 7.326 0.01 A 35 PHE HE2 H 1 7.326 0.01 A 35 PHE HZ H 1 7.325 0.01 A 35 PHE CA C 13 59.058 0.01 A 35 PHE CB C 13 40.450 0.01 A 35 PHE CD1 C 13 132.851 0.01 A 35 PHE CD2 C 13 132.851 0.01 A 35 PHE CE1 C 13 131.465 0.01 A 35 PHE CE2 C 13 131.465 0.01 A 35 PHE CZ C 13 129.184 0.01 A 35 PHE N N 15 118.466 0.01 A 36 GLY H H 1 8.025 0.01 A 36 GLY HA2 H 1 3.788 0.01 A 36 GLY HA3 H 1 3.932 0.01 A 36 GLY CA C 13 46.261 0.01 A 36 GLY N N 15 108.702 0.01 A 37 ILE H H 1 7.728 0.01 A 37 ILE HA H 1 4.047 0.01 A 37 ILE HB H 1 1.687 0.01 A 37 ILE HG12 H 1 0.851 0.01 A 37 ILE HG13 H 1 1.851 0.01 A 37 ILE HG2% H 1 0.762 0.01 A 37 ILE HD1% H 1 0.975 0.01 A 37 ILE CA C 13 61.754 0.01 A 37 ILE CB C 13 38.802 0.01 A 37 ILE CG1 C 13 27.313 0.01 A 37 ILE CG2 C 13 17.295 0.01 A 37 ILE CD1 C 13 14.403 0.01 A 37 ILE N N 15 120.701 0.01 A 38 ILE H H 1 8.500 0.01 A 38 ILE HA H 1 4.255 0.01 A 38 ILE HB H 1 1.725 0.01 A 38 ILE HG12 H 1 1.082 0.01 A 38 ILE HG13 H 1 1.432 0.01 A 38 ILE HG2% H 1 0.804 0.01 A 38 ILE HD1% H 1 0.782 0.01 A 38 ILE CA C 13 59.696 0.01 A 38 ILE CB C 13 39.918 0.01 A 38 ILE CG1 C 13 26.815 0.01 A 38 ILE CG2 C 13 17.283 0.01 A 38 ILE CD1 C 13 12.629 0.01 A 38 ILE N N 15 128.287 0.01 A 39 LEU H H 1 8.507 0.01 A 39 LEU HA H 1 4.899 0.01 A 39 LEU HB2 H 1 1.545 0.01 A 39 LEU HB3 H 1 1.770 0.01 A 39 LEU HG H 1 1.768 0.01 A 39 LEU HD1% H 1 0.936 0.01 A 39 LEU HD2% H 1 0.680 0.01 A 39 LEU CA C 13 52.821 0.01 A 39 LEU CB C 13 45.406 0.01 A 39 LEU CG C 13 26.718 0.01 A 39 LEU CD1 C 13 23.232 0.01 A 39 LEU CD2 C 13 21.656 0.01 A 39 LEU N N 15 125.657 0.01 A 40 THR H H 1 9.254 0.01 A 40 THR HA H 1 4.403 0.01 A 40 THR HB H 1 4.726 0.01 A 40 THR HG2% H 1 1.337 0.01 A 40 THR CA C 13 60.774 0.01 A 40 THR CB C 13 70.854 0.01 A 40 THR CG2 C 13 21.531 0.01 A 40 THR N N 15 113.253 0.01 A 41 ASN H H 1 9.235 0.01 A 41 ASN HA H 1 4.327 0.01 A 41 ASN HBx H 1 2.837 0.01 A 41 ASN HBy H 1 2.837 0.01 A 41 ASN HD21 H 1 7.804 0.01 A 41 ASN HD22 H 1 7.094 0.01 A 41 ASN CA C 13 56.715 0.01 A 41 ASN CB C 13 37.132 0.01 A 41 ASN N N 15 120.187 0.01 A 41 ASN ND2 N 15 113.197 0.01 A 42 ASP H H 1 8.628 0.01 A 42 ASP HA H 1 4.400 0.01 A 42 ASP HB2 H 1 2.520 0.01 A 42 ASP HB3 H 1 2.617 0.01 A 42 ASP CA C 13 57.200 0.01 A 42 ASP CB C 13 40.013 0.01 A 42 ASP N N 15 120.027 0.01 A 43 GLU H H 1 7.728 0.01 A 43 GLU HA H 1 4.059 0.01 A 43 GLU HB2 H 1 2.000 0.01 A 43 GLU HB3 H 1 2.426 0.01 A 43 GLU HGx H 1 2.294 0.01 A 43 GLU HGy H 1 2.418 0.01 A 43 GLU CA C 13 58.859 0.01 A 43 GLU CB C 13 30.824 0.01 A 43 GLU CG C 13 37.384 0.01 A 43 GLU N N 15 120.868 0.01 A 44 LYS H H 1 8.504 0.01 A 44 LYS HA H 1 3.937 0.01 A 44 LYS HBx H 1 1.943 0.01 A 44 LYS HBy H 1 1.943 0.01 A 44 LYS HG2 H 1 1.179 0.01 A 44 LYS HG3 H 1 1.629 0.01 A 44 LYS HD2 H 1 1.404 0.01 A 44 LYS HD3 H 1 1.443 0.01 A 44 LYS HE2 H 1 2.287 0.01 A 44 LYS HE3 H 1 2.598 0.01 A 44 LYS HZ1 H 1 7.252 0.01 A 44 LYS HZ2 H 1 7.252 0.01 A 44 LYS HZ3 H 1 7.252 0.01 A 44 LYS CA C 13 59.770 0.01 A 44 LYS CB C 13 32.639 0.01 A 44 LYS CG C 13 26.884 0.01 A 44 LYS CD C 13 29.614 0.01 A 44 LYS CE C 13 41.568 0.01 A 44 LYS N N 15 120.051 0.01 A 45 ALA H H 1 7.730 0.01 A 45 ALA HA H 1 4.193 0.01 A 45 ALA HB% H 1 1.514 0.01 A 45 ALA CA C 13 53.698 0.01 A 45 ALA CB C 13 18.036 0.01 A 45 ALA N N 15 119.928 0.01 A 46 ALA H H 1 7.134 0.01 A 46 ALA HA H 1 4.426 0.01 A 46 ALA HB% H 1 1.501 0.01 A 46 ALA CA C 13 51.391 0.01 A 46 ALA CB C 13 19.179 0.01 A 46 ALA N N 15 118.009 0.01 A 47 LEU H H 1 7.233 0.01 A 47 LEU HA H 1 4.313 0.01 A 47 LEU HB2 H 1 1.126 0.01 A 47 LEU HB3 H 1 1.793 0.01 A 47 LEU HG H 1 2.135 0.01 A 47 LEU HD1% H 1 1.066 0.01 A 47 LEU HD2% H 1 0.933 0.01 A 47 LEU CA C 13 53.563 0.01 A 47 LEU CB C 13 41.137 0.01 A 47 LEU CG C 13 26.448 0.01 A 47 LEU CD1 C 13 27.054 0.01 A 47 LEU CD2 C 13 26.113 0.01 A 47 LEU N N 15 121.748 0.01 A 48 PRO HA H 1 4.390 0.01 A 48 PRO HB2 H 1 1.703 0.01 A 48 PRO HB3 H 1 2.055 0.01 A 48 PRO HG2 H 1 1.082 0.01 A 48 PRO HG3 H 1 1.390 0.01 A 48 PRO HD2 H 1 2.811 0.01 A 48 PRO HD3 H 1 3.543 0.01 A 48 PRO CA C 13 61.673 0.01 A 48 PRO CB C 13 31.706 0.01 A 48 PRO CG C 13 26.238 0.01 A 48 PRO CD C 13 49.727 0.01 A 49 ASN H H 1 8.020 0.01 A 49 ASN HA H 1 4.353 0.01 A 49 ASN HB2 H 1 2.582 0.01 A 49 ASN HB3 H 1 2.647 0.01 A 49 ASN HD21 H 1 7.627 0.01 A 49 ASN HD22 H 1 6.967 0.01 A 49 ASN CA C 13 54.351 0.01 A 49 ASN CB C 13 38.846 0.01 A 49 ASN N N 15 113.147 0.01 A 49 ASN ND2 N 15 113.431 0.01 A 50 ASP H H 1 7.537 0.01 A 50 ASP HA H 1 4.606 0.01 A 50 ASP HB2 H 1 2.229 0.01 A 50 ASP HB3 H 1 2.352 0.01 A 50 ASP CA C 13 52.659 0.01 A 50 ASP CB C 13 41.093 0.01 A 50 ASP N N 15 117.345 0.01 A 51 ILE H H 1 8.741 0.01 A 51 ILE HA H 1 3.512 0.01 A 51 ILE HB H 1 1.464 0.01 A 51 ILE HG12 H 1 -0.022 0.01 A 51 ILE HG13 H 1 0.851 0.01 A 51 ILE HG2% H 1 0.521 0.01 A 51 ILE HD1% H 1 -0.224 0.01 A 51 ILE CA C 13 61.995 0.01 A 51 ILE CB C 13 38.285 0.01 A 51 ILE CG1 C 13 27.367 0.01 A 51 ILE CG2 C 13 17.935 0.01 A 51 ILE CD1 C 13 12.320 0.01 A 51 ILE N N 15 125.300 0.01 A 52 ASN H H 1 7.360 0.01 A 52 ASN HA H 1 5.334 0.01 A 52 ASN HB2 H 1 2.781 0.01 A 52 ASN HB3 H 1 3.361 0.01 A 52 ASN HD21 H 1 7.716 0.01 A 52 ASN HD22 H 1 6.894 0.01 A 52 ASN CA C 13 49.910 0.01 A 52 ASN CB C 13 40.253 0.01 A 52 ASN N N 15 124.416 0.01 A 52 ASN ND2 N 15 111.418 0.01 A 53 MET H H 1 8.380 0.01 A 53 MET HA H 1 2.994 0.01 A 53 MET HB2 H 1 1.570 0.01 A 53 MET HB3 H 1 1.788 0.01 A 53 MET HG2 H 1 2.130 0.01 A 53 MET HG3 H 1 2.444 0.01 A 53 MET HE% H 1 2.261 0.01 A 53 MET CA C 13 58.069 0.01 A 53 MET CB C 13 31.351 0.01 A 53 MET CG C 13 31.783 0.01 A 53 MET CE C 13 18.141 0.01 A 53 MET N N 15 119.864 0.01 A 54 ASP H H 1 8.082 0.01 A 54 ASP HA H 1 4.181 0.01 A 54 ASP HBx H 1 2.521 0.01 A 54 ASP HBy H 1 2.521 0.01 A 54 ASP CA C 13 57.589 0.01 A 54 ASP CB C 13 40.488 0.01 A 54 ASP N N 15 117.421 0.01 A 55 TYR H H 1 8.342 0.01 A 55 TYR HA H 1 4.146 0.01 A 55 TYR HB2 H 1 2.917 0.01 A 55 TYR HB3 H 1 3.166 0.01 A 55 TYR HD1 H 1 7.016 0.01 A 55 TYR HD2 H 1 7.016 0.01 A 55 TYR HE1 H 1 6.672 0.01 A 55 TYR HE2 H 1 6.672 0.01 A 55 TYR CA C 13 60.052 0.01 A 55 TYR CB C 13 38.119 0.01 A 55 TYR CD1 C 13 133.778 0.01 A 55 TYR CD2 C 13 133.778 0.01 A 55 TYR CE1 C 13 117.978 0.01 A 55 TYR CE2 C 13 117.978 0.01 A 55 TYR N N 15 121.657 0.01 A 56 TRP H H 1 8.415 0.01 A 56 TRP HA H 1 4.781 0.01 A 56 TRP HB2 H 1 3.405 0.01 A 56 TRP HB3 H 1 3.456 0.01 A 56 TRP HD1 H 1 7.156 0.01 A 56 TRP HE1 H 1 10.299 0.01 A 56 TRP HE3 H 1 7.745 0.01 A 56 TRP HZ2 H 1 6.921 0.01 A 56 TRP HZ3 H 1 6.686 0.01 A 56 TRP HH2 H 1 6.649 0.01 A 56 TRP CA C 13 59.383 0.01 A 56 TRP CB C 13 30.239 0.01 A 56 TRP CD1 C 13 129.277 0.01 A 56 TRP CE3 C 13 123.883 0.01 A 56 TRP CZ2 C 13 114.121 0.01 A 56 TRP CZ3 C 13 119.583 0.01 A 56 TRP CH2 C 13 123.624 0.01 A 56 TRP N N 15 120.100 0.01 A 56 TRP NE1 N 15 127.659 0.01 A 57 LEU H H 1 8.924 0.01 A 57 LEU HA H 1 3.162 0.01 A 57 LEU HB2 H 1 1.182 0.01 A 57 LEU HB3 H 1 1.756 0.01 A 57 LEU HG H 1 1.777 0.01 A 57 LEU HD1% H 1 0.853 0.01 A 57 LEU HD2% H 1 0.741 0.01 A 57 LEU CA C 13 58.097 0.01 A 57 LEU CB C 13 40.774 0.01 A 57 LEU CG C 13 26.396 0.01 A 57 LEU CD1 C 13 25.239 0.01 A 57 LEU CD2 C 13 23.357 0.01 A 57 LEU N N 15 117.972 0.01 A 58 ASN H H 1 7.360 0.01 A 58 ASN HA H 1 4.180 0.01 A 58 ASN HB2 H 1 2.536 0.01 A 58 ASN HB3 H 1 2.647 0.01 A 58 ASN HD21 H 1 7.576 0.01 A 58 ASN HD22 H 1 6.934 0.01 A 58 ASN CA C 13 56.383 0.01 A 58 ASN CB C 13 38.799 0.01 A 58 ASN N N 15 115.930 0.01 A 58 ASN ND2 N 15 111.596 0.01 A 59 PHE H H 1 8.356 0.01 A 59 PHE HA H 1 3.988 0.01 A 59 PHE HB2 H 1 2.861 0.01 A 59 PHE HB3 H 1 3.399 0.01 A 59 PHE HD1 H 1 7.432 0.01 A 59 PHE HD2 H 1 7.432 0.01 A 59 PHE HE1 H 1 7.326 0.01 A 59 PHE HE2 H 1 7.326 0.01 A 59 PHE HZ H 1 7.325 0.01 A 59 PHE CA C 13 61.342 0.01 A 59 PHE CB C 13 40.019 0.01 A 59 PHE CD1 C 13 132.398 0.01 A 59 PHE CD2 C 13 132.398 0.01 A 59 PHE CE1 C 13 131.465 0.01 A 59 PHE CE2 C 13 131.465 0.01 A 59 PHE CZ C 13 129.979 0.01 A 59 PHE N N 15 122.919 0.01 A 60 ALA H H 1 9.305 0.01 A 60 ALA HA H 1 2.971 0.01 A 60 ALA HB% H 1 -1.241 0.01 A 60 ALA CA C 13 55.049 0.01 A 60 ALA CB C 13 13.809 0.01 A 60 ALA N N 15 125.083 0.01 A 61 LYS H H 1 7.195 0.01 A 61 LYS HA H 1 4.228 0.01 A 61 LYS HBy H 1 1.913 0.01 A 61 LYS HG2 H 1 1.546 0.01 A 61 LYS HG3 H 1 1.617 0.01 A 61 LYS HDx H 1 1.705 0.01 A 61 LYS HDy H 1 1.705 0.01 A 61 LYS HE2 H 1 2.922 0.01 A 61 LYS HE3 H 1 2.980 0.01 A 61 LYS HZ1 H 1 7.262 0.01 A 61 LYS HZ2 H 1 7.262 0.01 A 61 LYS HZ3 H 1 7.262 0.01 A 61 LYS CA C 13 58.916 0.01 A 61 LYS CB C 13 31.745 0.01 A 61 LYS CG C 13 25.196 0.01 A 61 LYS CD C 13 28.637 0.01 A 61 LYS CE C 13 42.067 0.01 A 61 LYS N N 15 114.537 0.01 A 62 LYS H H 1 7.149 0.01 A 62 LYS HA H 1 4.037 0.01 A 62 LYS HB2 H 1 1.484 0.01 A 62 LYS HB3 H 1 1.570 0.01 A 62 LYS HG2 H 1 0.803 0.01 A 62 LYS HG3 H 1 1.115 0.01 A 62 LYS HD2 H 1 1.362 0.01 A 62 LYS HD3 H 1 1.430 0.01 A 62 LYS HEx H 1 2.764 0.01 A 62 LYS HEy H 1 2.764 0.01 A 62 LYS HZ1 H 1 7.343 0.01 A 62 LYS HZ2 H 1 7.343 0.01 A 62 LYS HZ3 H 1 7.343 0.01 A 62 LYS CA C 13 57.530 0.01 A 62 LYS CB C 13 32.704 0.01 A 62 LYS CG C 13 24.561 0.01 A 62 LYS CD C 13 28.822 0.01 A 62 LYS CE C 13 41.819 0.01 A 62 LYS N N 15 116.635 0.01 A 63 HIS H H 1 7.526 0.01 A 63 HIS HA H 1 4.403 0.01 A 63 HIS HBx H 1 3.010 0.01 A 63 HIS HBy H 1 3.010 0.01 A 63 HIS HD2 H 1 6.248 0.01 A 63 HIS HE1 H 1 8.016 0.01 A 63 HIS CA C 13 57.150 0.01 A 63 HIS CB C 13 31.551 0.01 A 63 HIS CD2 C 13 121.627 0.01 A 63 HIS CE1 C 13 137.421 0.01 A 63 HIS N N 15 113.845 0.01 A 64 TYR H H 1 8.687 0.01 A 64 TYR HA H 1 3.993 0.01 A 64 TYR HB2 H 1 3.161 0.01 A 64 TYR HB3 H 1 3.308 0.01 A 64 TYR HD1 H 1 7.400 0.01 A 64 TYR HD2 H 1 7.400 0.01 A 64 TYR HE1 H 1 7.009 0.01 A 64 TYR HE2 H 1 7.009 0.01 A 64 TYR CA C 13 59.588 0.01 A 64 TYR CB C 13 38.103 0.01 A 64 TYR CD1 C 13 134.025 0.01 A 64 TYR CD2 C 13 134.025 0.01 A 64 TYR CE1 C 13 118.652 0.01 A 64 TYR CE2 C 13 118.652 0.01 A 64 TYR N N 15 122.602 0.01 A 65 ASN H H 1 7.648 0.01 A 65 ASN HA H 1 4.671 0.01 A 65 ASN HB2 H 1 2.535 0.01 A 65 ASN HB3 H 1 2.753 0.01 A 65 ASN HD21 H 1 7.601 0.01 A 65 ASN HD22 H 1 6.875 0.01 A 65 ASN CA C 13 51.451 0.01 A 65 ASN CB C 13 37.622 0.01 A 65 ASN N N 15 124.708 0.01 A 65 ASN ND2 N 15 113.058 0.01 A 66 TYR H H 1 8.071 0.01 A 66 TYR HA H 1 4.490 0.01 A 66 TYR HBx H 1 2.909 0.01 A 66 TYR HBy H 1 2.909 0.01 A 66 TYR HD1 H 1 6.531 0.01 A 66 TYR HD2 H 1 6.531 0.01 A 66 TYR HE1 H 1 6.971 0.01 A 66 TYR HE2 H 1 6.971 0.01 A 66 TYR CA C 13 56.275 0.01 A 66 TYR CB C 13 38.908 0.01 A 66 TYR CD1 C 13 133.004 0.01 A 66 TYR CD2 C 13 133.004 0.01 A 66 TYR CE1 C 13 118.857 0.01 A 66 TYR CE2 C 13 118.857 0.01 A 66 TYR N N 15 121.784 0.01 A 67 GLU H H 1 8.151 0.01 A 67 GLU HA H 1 4.229 0.01 A 67 GLU HB2 H 1 1.969 0.01 A 67 GLU HB3 H 1 2.072 0.01 A 67 GLU HG2 H 1 2.208 0.01 A 67 GLU HG3 H 1 2.255 0.01 A 67 GLU CA C 13 56.641 0.01 A 67 GLU CB C 13 29.713 0.01 A 67 GLU CG C 13 36.413 0.01 A 67 GLU N N 15 119.133 0.01 A 68 GLN H H 1 7.752 0.01 A 68 GLN HA H 1 4.522 0.01 A 68 GLN HB2 H 1 1.897 0.01 A 68 GLN HB3 H 1 1.990 0.01 A 68 GLN HG2 H 1 2.278 0.01 A 68 GLN HG3 H 1 2.312 0.01 A 68 GLN HE21 H 1 7.552 0.01 A 68 GLN HE22 H 1 6.979 0.01 A 68 GLN CA C 13 53.461 0.01 A 68 GLN CB C 13 28.936 0.01 A 68 GLN CG C 13 33.294 0.01 A 68 GLN N N 15 120.337 0.01 A 68 GLN NE2 N 15 115.281 0.01 A 69 PRO HA H 1 4.363 0.01 A 69 PRO HB2 H 1 1.732 0.01 A 69 PRO HB3 H 1 2.214 0.01 A 69 PRO HG2 H 1 1.930 0.01 A 69 PRO HG3 H 1 1.966 0.01 A 69 PRO HD2 H 1 3.583 0.01 A 69 PRO HD3 H 1 3.650 0.01 A 69 PRO CA C 13 63.259 0.01 A 69 PRO CB C 13 31.850 0.01 A 69 PRO CG C 13 27.228 0.01 A 69 PRO CD C 13 50.271 0.01 A 70 PHE H H 1 8.277 0.01 A 70 PHE HA H 1 4.536 0.01 A 70 PHE HB2 H 1 3.027 0.01 A 70 PHE HB3 H 1 3.066 0.01 A 70 PHE HD1 H 1 7.237 0.01 A 70 PHE HD2 H 1 7.237 0.01 A 70 PHE HE1 H 1 7.326 0.01 A 70 PHE HE2 H 1 7.326 0.01 A 70 PHE HZ H 1 7.325 0.01 A 70 PHE CA C 13 57.666 0.01 A 70 PHE CB C 13 39.388 0.01 A 70 PHE CD1 C 13 132.045 0.01 A 70 PHE CD2 C 13 132.045 0.01 A 70 PHE CE1 C 13 131.465 0.01 A 70 PHE CE2 C 13 131.465 0.01 A 70 PHE CZ C 13 129.979 0.01 A 70 PHE N N 15 120.428 0.01 A 71 LYS H H 1 8.035 0.01 A 71 LYS HA H 1 4.195 0.01 A 71 LYS HB2 H 1 1.606 0.01 A 71 LYS HB3 H 1 1.644 0.01 A 71 LYS HG2 H 1 1.239 0.01 A 71 LYS HG3 H 1 1.281 0.01 A 71 LYS HD2 H 1 1.583 0.01 A 71 LYS HD3 H 1 1.649 0.01 A 71 LYS HEx H 1 2.924 0.01 A 71 LYS HEy H 1 2.924 0.01 A 71 LYS HZ1 H 1 7.262 0.01 A 71 LYS HZ2 H 1 7.262 0.01 A 71 LYS HZ3 H 1 7.262 0.01 A 71 LYS CA C 13 55.801 0.01 A 71 LYS CB C 13 33.139 0.01 A 71 LYS CG C 13 24.380 0.01 A 71 LYS CD C 13 29.635 0.01 A 71 LYS CE C 13 41.932 0.01 A 71 LYS N N 15 124.330 0.01 A 72 HIS H H 1 8.298 0.01 A 72 HIS HA H 1 4.536 0.01 A 72 HIS HB2 H 1 3.032 0.01 A 72 HIS HB3 H 1 3.098 0.01 A 72 HIS HD2 H 1 7.095 0.01 A 72 HIS HE1 H 1 8.011 0.01 A 72 HIS CA C 13 57.666 0.01 A 72 HIS CB C 13 30.417 0.01 A 72 HIS CD2 C 13 120.092 0.01 A 72 HIS CE1 C 13 138.261 0.01 A 72 HIS N N 15 120.638 0.01 A 73 ILE H H 1 8.120 0.01 A 73 ILE HA H 1 4.133 0.01 A 73 ILE HB H 1 1.820 0.01 A 73 ILE HG12 H 1 1.082 0.01 A 73 ILE HG13 H 1 1.390 0.01 A 73 ILE HG2% H 1 0.863 0.01 A 73 ILE HD1% H 1 0.805 0.01 A 73 ILE CA C 13 60.885 0.01 A 73 ILE CB C 13 38.771 0.01 A 73 ILE CG1 C 13 26.815 0.01 A 73 ILE CG2 C 13 17.316 0.01 A 73 ILE CD1 C 13 12.766 0.01 A 73 ILE N N 15 122.906 0.01 A 74 ASN H H 1 8.099 0.01 A 74 ASN HA H 1 4.414 0.01 A 74 ASN HB2 H 1 2.631 0.01 A 74 ASN HB3 H 1 2.732 0.01 A 74 ASN HD21 H 1 7.577 0.01 A 74 ASN HD22 H 1 6.875 0.01 A 74 ASN CA C 13 54.744 0.01 A 74 ASN CB C 13 40.199 0.01 A 74 ASN N N 15 127.865 0.01 A 74 ASN ND2 N 15 113.146 0.01 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin 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 63 HIS HE1 A 37 ILE HG2% 1.0 1.901 4.325 2 2 A 63 HIS HE1 A 37 ILE HD1% 1.0 2.000 6.120 3 3 A 63 HIS HE1 A 38 ILE HG12 1.0 1.999 6.177 4 4 A 63 HIS HE1 A 37 ILE HA 1.0 1.996 5.644 5 5 A 63 HIS HD2 A 63 HIS H 1.0 1.996 5.656 6 6 A 63 HIS HD2 A 59 PHE HD2 1.0 2.000 6.062 7 6 A 63 HIS HD2 A 59 PHE HD1 1.0 2.000 6.062 8 7 A 63 HIS HD2 A 63 HIS HA 1.0 1.965 7.093 9 8 A 63 HIS HD2 A 63 HIS HBx 1.0 1.973 5.097 10 8 A 63 HIS HD2 A 63 HIS HBy 1.0 1.973 5.097 11 9 A 63 HIS HD2 A 62 LYS HB2 1.0 1.949 4.783 12 10 A 37 ILE HG2% A 63 HIS HD2 1.0 1.971 5.065 13 11 A 22 HIS HD2 A 52 ASN HB2 1.0 1.992 5.482 14 12 A 22 HIS HD2 A 22 HIS HB2 1.0 1.938 4.654 15 13 A 22 HIS HD2 A 22 HIS HB3 1.0 1.949 4.769 16 14 A 22 HIS HD2 A 52 ASN HB3 1.0 1.958 4.886 17 15 A 22 HIS HD2 A 21 ASP HBx 1.0 1.999 5.857 18 15 A 22 HIS HD2 A 21 ASP HBy 1.0 1.999 5.857 19 16 A 22 HIS HD2 A 50 ASP HB3 1.0 1.977 5.153 20 17 A 22 HIS HD2 A 51 ILE H 1.0 1.989 6.597 21 18 A 22 HIS HD2 A 22 HIS HE1 1.0 1.999 5.815 22 19 A 22 HIS HD2 A 21 ASP HA 1.0 1.998 6.242 23 20 A 56 TRP HD1 A 56 TRP HE1 1.0 1.739 3.371 24 21 A 56 TRP HD1 A 57 LEU H 1.0 1.953 4.819 25 22 A 56 TRP HD1 A 56 TRP H 1.0 1.970 5.052 26 23 A 56 TRP HD1 A 13 PHE H 1.0 1.923 4.507 27 24 A 56 TRP HD1 A 13 PHE HD2 1.0 1.777 3.555 28 24 A 56 TRP HD1 A 13 PHE HD1 1.0 1.777 3.555 29 25 A 56 TRP HD1 A 13 PHE HA 1.0 1.974 5.102 30 26 A 56 TRP HD1 A 53 MET HG3 1.0 1.976 5.140 31 27 A 56 TRP HD1 A 57 LEU HD1% 1.0 1.997 5.721 32 28 A 56 TRP HD1 A 57 LEU HD2% 1.0 1.821 3.787 33 29 A 56 TRP HD1 A 31 LEU HD2% 1.0 1.970 5.046 34 30 A 56 TRP HD1 A 60 ALA HB% 1.0 1.985 6.709 35 31 A 56 TRP HE3 A 60 ALA H 1.0 1.827 8.525 36 32 A 56 TRP HE3 A 28 PHE HE2 1.0 1.764 3.486 37 32 A 56 TRP HE3 A 28 PHE HE1 1.0 1.764 3.486 38 33 A 56 TRP HE3 A 56 TRP HZ2 1.0 1.997 6.329 39 34 A 56 TRP HE3 A 28 PHE HD2 1.0 1.978 5.184 40 34 A 56 TRP HE3 A 28 PHE HD1 1.0 1.978 5.184 41 35 A 56 TRP HE3 A 56 TRP HZ3 1.0 1.788 3.608 42 36 A 56 TRP HE3 A 28 PHE HZ 1.0 1.917 4.455 43 37 A 56 TRP HE3 A 56 TRP HB2 1.0 1.886 4.204 44 38 A 56 TRP HE3 A 32 MET HB3 1.0 2.000 6.062 45 39 A 31 LEU HD2% A 56 TRP HE3 1.0 1.994 5.558 46 40 A 60 ALA HB% A 56 TRP HE3 1.0 1.988 5.388 47 41 A 59 PHE HD2 A 56 TRP HZ3 1.0 1.876 4.128 48 41 A 59 PHE HD1 A 56 TRP HZ3 1.0 1.876 4.128 49 42 A 56 TRP HZ3 A 59 PHE HE2 1.0 1.885 4.195 50 42 A 56 TRP HZ3 A 59 PHE HE1 1.0 1.885 4.195 51 43 A 56 TRP HZ3 A 32 MET HA 1.0 1.963 4.939 52 44 A 37 ILE HD1% A 56 TRP HZ3 1.0 1.942 4.698 53 45 A 60 ALA HB% A 56 TRP HZ3 1.0 2.000 6.088 54 46 A 56 TRP HE1 A 56 TRP HZ2 1.0 1.864 4.050 55 47 A 56 TRP HZ2 A 35 PHE HE2 1.0 1.761 3.471 56 47 A 56 TRP HZ2 A 35 PHE HE1 1.0 1.761 3.471 57 48 A 56 TRP HZ2 A 56 TRP HH2 1.0 1.686 3.142 58 49 A 56 TRP HZ2 A 9 PHE HD2 1.0 1.791 3.621 59 49 A 56 TRP HZ2 A 9 PHE HD1 1.0 1.791 3.621 60 50 A 56 TRP HZ2 A 31 LEU HD1% 1.0 1.838 3.886 61 51 A 64 TYR H A 66 TYR HD2 1.0 1.950 4.792 62 51 A 66 TYR HD1 A 64 TYR H 1.0 1.950 4.792 63 52 A 66 TYR HD2 A 65 ASN H 1.0 1.881 4.169 64 52 A 66 TYR HD1 A 65 ASN H 1.0 1.881 4.169 65 53 A 66 TYR HD2 A 66 TYR HBy 1.0 1.746 3.402 66 53 A 66 TYR HD2 A 66 TYR HBx 1.0 1.746 3.402 67 53 A 66 TYR HD1 A 66 TYR HBx 1.0 1.746 3.402 68 53 A 66 TYR HD1 A 66 TYR HBy 1.0 1.746 3.402 69 54 A 9 PHE HE1 A 64 TYR HE2 1.0 1.984 5.296 70 54 A 9 PHE HE2 A 64 TYR HE2 1.0 1.984 5.296 71 54 A 64 TYR HE1 A 9 PHE HE2 1.0 1.984 5.296 72 54 A 64 TYR HE1 A 9 PHE HE1 1.0 1.984 5.296 73 55 A 64 TYR HE2 A 9 PHE HZ 1.0 1.968 5.024 74 55 A 64 TYR HE1 A 9 PHE HZ 1.0 1.968 5.024 75 56 A 66 TYR HD1 A 66 TYR HE2 1.0 1.628 2.922 76 56 A 66 TYR HD2 A 66 TYR HE2 1.0 1.628 2.922 77 56 A 66 TYR HD2 A 66 TYR HE1 1.0 1.628 2.922 78 56 A 66 TYR HD1 A 66 TYR HE1 1.0 1.628 2.922 79 57 A 64 TYR HE1 A 2 ALA HB% 1.0 1.907 4.367 80 57 A 64 TYR HE2 A 2 ALA HB% 1.0 1.907 4.367 81 58 A 64 TYR HE1 A 64 TYR HD2 1.0 1.566 2.706 82 58 A 64 TYR HE2 A 64 TYR HD2 1.0 1.566 2.706 83 58 A 64 TYR HE2 A 64 TYR HD1 1.0 1.566 2.706 84 58 A 64 TYR HE1 A 64 TYR HD1 1.0 1.566 2.706 85 59 A 66 TYR HD1 A 64 TYR HD2 1.0 1.979 5.185 86 59 A 66 TYR HD2 A 64 TYR HD1 1.0 1.979 5.185 87 59 A 66 TYR HD1 A 64 TYR HD1 1.0 1.979 5.185 88 59 A 66 TYR HD2 A 64 TYR HD2 1.0 1.979 5.185 89 60 A 64 TYR HD2 A 65 ASN HA 1.0 1.964 4.960 90 60 A 64 TYR HD1 A 65 ASN HA 1.0 1.964 4.960 91 61 A 64 TYR HD2 A 61 LYS HA 1.0 1.812 3.738 92 61 A 64 TYR HD1 A 61 LYS HA 1.0 1.812 3.738 93 62 A 64 TYR HD2 A 64 TYR HB2 1.0 1.721 3.289 94 62 A 64 TYR HD1 A 64 TYR HB2 1.0 1.721 3.289 95 63 A 64 TYR HD2 A 64 TYR HB3 1.0 1.736 3.360 96 63 A 64 TYR HD1 A 64 TYR HB3 1.0 1.736 3.360 97 64 A 64 TYR HD2 A 5 MET HG3 1.0 1.947 4.745 98 64 A 64 TYR HD1 A 5 MET HG3 1.0 1.947 4.745 99 65 A 66 TYR HE2 A 64 TYR HB3 1.0 1.999 5.853 100 65 A 66 TYR HE1 A 64 TYR HB3 1.0 1.999 5.853 101 66 A 64 TYR HE2 A 5 MET HG3 1.0 1.857 4.009 102 66 A 64 TYR HE1 A 5 MET HG3 1.0 1.857 4.009 103 67 A 56 TRP H A 55 TYR HD2 1.0 1.926 4.534 104 67 A 56 TRP H A 55 TYR HD1 1.0 1.926 4.534 105 68 A 55 TYR HD2 A 55 TYR H 1.0 1.921 4.489 106 68 A 55 TYR HD1 A 55 TYR H 1.0 1.921 4.489 107 69 A 59 PHE HD1 A 55 TYR HD2 1.0 1.926 4.532 108 69 A 59 PHE HD2 A 55 TYR HD2 1.0 1.926 4.532 109 69 A 59 PHE HD2 A 55 TYR HD1 1.0 1.926 4.532 110 69 A 59 PHE HD1 A 55 TYR HD1 1.0 1.926 4.532 111 70 A 28 PHE HZ A 55 TYR HD2 1.0 1.990 5.426 112 70 A 28 PHE HZ A 55 TYR HD1 1.0 1.990 5.426 113 71 A 55 TYR HD2 A 51 ILE HA 1.0 1.944 4.722 114 71 A 55 TYR HD1 A 51 ILE HA 1.0 1.944 4.722 115 72 A 55 TYR HD2 A 59 PHE HB2 1.0 1.755 3.445 116 72 A 55 TYR HD1 A 59 PHE HB2 1.0 1.755 3.445 117 73 A 55 TYR HD2 A 55 TYR HB3 1.0 1.969 5.027 118 73 A 55 TYR HD1 A 55 TYR HB3 1.0 1.969 5.027 119 74 A 55 TYR HD2 A 51 ILE HB 1.0 1.982 5.278 120 74 A 55 TYR HD1 A 51 ILE HB 1.0 1.982 5.278 121 75 A 55 TYR HD2 A 47 LEU HB3 1.0 1.999 5.815 122 75 A 55 TYR HD1 A 47 LEU HB3 1.0 1.999 5.815 123 76 A 55 TYR HD2 A 51 ILE HG13 1.0 1.991 5.453 124 76 A 55 TYR HD1 A 51 ILE HG13 1.0 1.991 5.453 125 77 A 55 TYR HD1 A 51 ILE HD1% 1.0 1.949 4.777 126 77 A 55 TYR HD2 A 51 ILE HD1% 1.0 1.949 4.777 127 78 A 59 PHE HD2 A 55 TYR HE2 1.0 1.865 4.055 128 78 A 59 PHE HD1 A 55 TYR HE2 1.0 1.865 4.055 129 78 A 59 PHE HD2 A 55 TYR HE1 1.0 1.865 4.055 130 78 A 59 PHE HD1 A 55 TYR HE1 1.0 1.865 4.055 131 79 A 55 TYR HD1 A 55 TYR HE2 1.0 1.590 2.788 132 79 A 55 TYR HD2 A 55 TYR HE2 1.0 1.590 2.788 133 79 A 55 TYR HD2 A 55 TYR HE1 1.0 1.590 2.788 134 79 A 55 TYR HD1 A 55 TYR HE1 1.0 1.590 2.788 135 80 A 28 PHE HZ A 55 TYR HE2 1.0 1.963 4.953 136 80 A 28 PHE HZ A 55 TYR HE1 1.0 1.963 4.953 137 81 A 55 TYR HE2 A 48 PRO HD2 1.0 1.971 5.069 138 81 A 55 TYR HE1 A 48 PRO HD2 1.0 1.971 5.069 139 82 A 55 TYR HB3 A 55 TYR HE2 1.0 1.900 4.306 140 82 A 55 TYR HB3 A 55 TYR HE1 1.0 1.900 4.306 141 83 A 55 TYR HE1 A 47 LEU HD1% 1.0 1.945 4.721 142 83 A 55 TYR HE2 A 47 LEU HD1% 1.0 1.945 4.721 143 84 A 55 TYR HE2 A 47 LEU HD2% 1.0 1.797 3.655 144 84 A 55 TYR HE1 A 47 LEU HD2% 1.0 1.797 3.655 145 85 A 55 TYR HE1 A 51 ILE HG2% 1.0 1.991 5.483 146 85 A 55 TYR HE2 A 51 ILE HG2% 1.0 1.991 5.483 147 86 A 51 ILE HD1% A 55 TYR HE1 1.0 1.968 5.026 148 86 A 51 ILE HD1% A 55 TYR HE2 1.0 1.968 5.026 149 87 A 25 MET H A 26 TYR HD2 1.0 1.970 7.000 150 87 A 26 TYR HD1 A 25 MET H 1.0 1.970 7.000 151 88 A 26 TYR HD2 A 26 TYR HA 1.0 1.864 4.054 152 88 A 26 TYR HD1 A 26 TYR HA 1.0 1.864 4.054 153 89 A 26 TYR HD2 A 26 TYR HB2 1.0 1.681 3.123 154 89 A 26 TYR HD1 A 26 TYR HB2 1.0 1.681 3.123 155 90 A 26 TYR HD2 A 24 GLU HG2 1.0 1.976 5.140 156 90 A 26 TYR HD1 A 24 GLU HG2 1.0 1.976 5.140 157 91 A 26 TYR HD2 A 27 LYS HB2 1.0 1.863 4.045 158 91 A 26 TYR HD1 A 27 LYS HB2 1.0 1.863 4.045 159 92 A 26 TYR HD2 A 27 LYS HG2 1.0 2.000 6.056 160 92 A 26 TYR HD1 A 27 LYS HG2 1.0 2.000 6.056 161 93 A 26 TYR HD2 A 27 LYS HG3 1.0 1.989 5.397 162 93 A 26 TYR HD1 A 27 LYS HG3 1.0 1.989 5.397 163 94 A 26 TYR HD1 A 26 TYR HE2 1.0 1.537 2.615 164 94 A 26 TYR HD2 A 26 TYR HE2 1.0 1.537 2.615 165 94 A 26 TYR HD2 A 26 TYR HE1 1.0 1.537 2.615 166 94 A 26 TYR HD1 A 26 TYR HE1 1.0 1.537 2.615 167 95 A 24 GLU HG2 A 26 TYR HE2 1.0 1.927 4.549 168 95 A 24 GLU HG2 A 26 TYR HE1 1.0 1.927 4.549 169 96 A 26 TYR HE2 A 24 GLU HB2 1.0 1.914 4.424 170 96 A 26 TYR HE1 A 24 GLU HB2 1.0 1.914 4.424 171 97 A 27 LYS HB2 A 26 TYR HE2 1.0 1.848 3.950 172 97 A 27 LYS HB2 A 26 TYR HE1 1.0 1.848 3.950 173 98 A 27 LYS HG2 A 26 TYR HE2 1.0 1.995 5.607 174 98 A 27 LYS HG2 A 26 TYR HE1 1.0 1.995 5.607 175 99 A 27 LYS HG3 A 26 TYR HE2 1.0 1.959 4.891 176 99 A 27 LYS HG3 A 26 TYR HE1 1.0 1.959 4.891 177 100 A 9 PHE HD2 A 35 PHE HD1 1.0 1.986 5.340 178 100 A 9 PHE HD2 A 35 PHE HD2 1.0 1.986 5.340 179 100 A 9 PHE HD1 A 35 PHE HD2 1.0 1.986 5.340 180 100 A 9 PHE HD1 A 35 PHE HD1 1.0 1.986 5.340 181 101 A 56 TRP HH2 A 9 PHE HD2 1.0 2.000 6.158 182 101 A 56 TRP HH2 A 9 PHE HD1 1.0 2.000 6.158 183 102 A 9 PHE HD2 A 9 PHE HB2 1.0 1.755 3.441 184 102 A 9 PHE HD1 A 9 PHE HB2 1.0 1.755 3.441 185 103 A 9 PHE HD2 A 9 PHE HB3 1.0 1.795 3.645 186 103 A 9 PHE HD1 A 9 PHE HB3 1.0 1.795 3.645 187 104 A 9 PHE HD2 A 5 MET HBx 1.0 1.975 5.137 188 104 A 9 PHE HD1 A 5 MET HBx 1.0 1.975 5.137 189 104 A 9 PHE HD1 A 5 MET HBy 1.0 1.975 5.137 190 104 A 9 PHE HD2 A 5 MET HBy 1.0 1.975 5.137 191 105 A 60 ALA HB% A 9 PHE HD1 1.0 1.866 4.062 192 105 A 60 ALA HB% A 9 PHE HD2 1.0 1.866 4.062 193 106 A 9 PHE HE2 A 35 PHE HD2 1.0 1.948 4.762 194 106 A 9 PHE HE2 A 35 PHE HD1 1.0 1.948 4.762 195 106 A 9 PHE HE1 A 35 PHE HD2 1.0 1.948 4.762 196 106 A 9 PHE HE1 A 35 PHE HD1 1.0 1.948 4.762 197 107 A 35 PHE HE1 A 9 PHE HE2 1.0 1.925 4.529 198 107 A 35 PHE HE2 A 9 PHE HE2 1.0 1.925 4.529 199 107 A 35 PHE HE2 A 9 PHE HE1 1.0 1.925 4.529 200 107 A 35 PHE HE1 A 9 PHE HE1 1.0 1.925 4.529 201 108 A 56 TRP HZ2 A 9 PHE HE2 1.0 1.937 4.649 202 108 A 56 TRP HZ2 A 9 PHE HE1 1.0 1.937 4.649 203 109 A 9 PHE HD1 A 9 PHE HE2 1.0 1.438 2.320 204 109 A 9 PHE HD2 A 9 PHE HE2 1.0 1.438 2.320 205 109 A 9 PHE HD2 A 9 PHE HE1 1.0 1.438 2.320 206 109 A 9 PHE HD1 A 9 PHE HE1 1.0 1.438 2.320 207 110 A 9 PHE HE2 A 61 LYS HA 1.0 1.905 4.349 208 110 A 9 PHE HE1 A 61 LYS HA 1.0 1.905 4.349 209 111 A 9 PHE HE2 A 6 GLU HA 1.0 1.932 4.586 210 111 A 9 PHE HE1 A 6 GLU HA 1.0 1.932 4.586 211 112 A 9 PHE HE2 A 9 PHE HB2 1.0 1.952 4.820 212 112 A 9 PHE HE1 A 9 PHE HB2 1.0 1.952 4.820 213 113 A 9 PHE HE2 A 5 MET HBy 1.0 1.925 4.527 214 113 A 9 PHE HE2 A 5 MET HBx 1.0 1.925 4.527 215 113 A 9 PHE HE1 A 5 MET HBx 1.0 1.925 4.527 216 113 A 9 PHE HE1 A 5 MET HBy 1.0 1.925 4.527 217 114 A 9 PHE HE1 A 5 MET HE% 1.0 1.886 4.208 218 114 A 9 PHE HE2 A 5 MET HE% 1.0 1.886 4.208 219 115 A 60 ALA HB% A 9 PHE HE1 1.0 1.897 4.289 220 115 A 60 ALA HB% A 9 PHE HE2 1.0 1.897 4.289 221 116 A 28 PHE HD2 A 23 ILE H 1.0 1.989 6.593 222 116 A 28 PHE HD1 A 23 ILE H 1.0 1.989 6.593 223 117 A 28 PHE HD2 A 29 PHE HD2 1.0 1.935 4.621 224 117 A 28 PHE HD2 A 29 PHE HD1 1.0 1.935 4.621 225 117 A 28 PHE HD1 A 29 PHE HD2 1.0 1.935 4.621 226 117 A 28 PHE HD1 A 29 PHE HD1 1.0 1.935 4.621 227 118 A 28 PHE HD2 A 28 PHE HZ 1.0 1.950 4.780 228 118 A 28 PHE HD1 A 28 PHE HZ 1.0 1.950 4.780 229 119 A 28 PHE HD2 A 23 ILE HG13 1.0 1.833 3.857 230 119 A 28 PHE HD1 A 23 ILE HG13 1.0 1.833 3.857 231 120 A 28 PHE HD2 A 51 ILE HG2% 1.0 1.885 4.201 232 120 A 28 PHE HD1 A 51 ILE HG2% 1.0 1.885 4.201 233 121 A 28 PHE HD1 A 23 ILE HD1% 1.0 1.878 4.148 234 121 A 28 PHE HD2 A 23 ILE HD1% 1.0 1.878 4.148 235 122 A 28 PHE HD2 A 51 ILE HD1% 1.0 1.931 4.579 236 122 A 28 PHE HD1 A 51 ILE HD1% 1.0 1.931 4.579 237 123 A 31 LEU HD2% A 28 PHE HD2 1.0 1.829 3.831 238 123 A 31 LEU HD2% A 28 PHE HD1 1.0 1.829 3.831 239 124 A 28 PHE HE2 A 29 PHE HD2 1.0 1.879 4.151 240 124 A 28 PHE HE2 A 29 PHE HD1 1.0 1.879 4.151 241 124 A 28 PHE HE1 A 29 PHE HD2 1.0 1.879 4.151 242 124 A 28 PHE HE1 A 29 PHE HD1 1.0 1.879 4.151 243 125 A 28 PHE HE2 A 44 LYS HZ% 1.0 1.748 3.410 244 125 A 28 PHE HE1 A 44 LYS HZ% 1.0 1.748 3.410 245 126 A 28 PHE HE2 A 28 PHE HD1 1.0 1.604 2.836 246 126 A 28 PHE HE2 A 28 PHE HD2 1.0 1.604 2.836 247 126 A 28 PHE HE1 A 28 PHE HD2 1.0 1.604 2.836 248 126 A 28 PHE HE1 A 28 PHE HD1 1.0 1.604 2.836 249 127 A 28 PHE HE2 A 28 PHE HZ 1.0 1.704 3.218 250 127 A 28 PHE HE1 A 28 PHE HZ 1.0 1.704 3.218 251 128 A 28 PHE HE1 A 47 LEU HD1% 1.0 1.830 3.836 252 128 A 28 PHE HE2 A 47 LEU HD1% 1.0 1.830 3.836 253 129 A 28 PHE HE1 A 51 ILE HD1% 1.0 1.966 4.986 254 129 A 28 PHE HE2 A 51 ILE HD1% 1.0 1.966 4.986 255 130 A 31 LEU HD2% A 28 PHE HE1 1.0 1.946 4.732 256 130 A 31 LEU HD2% A 28 PHE HE2 1.0 1.946 4.732 257 131 A 13 PHE HD2 A 14 ILE H 1.0 1.887 4.215 258 131 A 13 PHE HD1 A 14 ILE H 1.0 1.887 4.215 259 132 A 13 PHE HD2 A 13 PHE HE1 1.0 1.575 2.737 260 132 A 13 PHE HD2 A 13 PHE HE2 1.0 1.575 2.737 261 132 A 13 PHE HD1 A 13 PHE HE2 1.0 1.575 2.737 262 132 A 13 PHE HD1 A 13 PHE HE1 1.0 1.575 2.737 263 133 A 13 PHE HD2 A 17 SER HB2 1.0 1.875 4.127 264 133 A 13 PHE HD1 A 17 SER HB2 1.0 1.875 4.127 265 134 A 13 PHE HD2 A 13 PHE HB3 1.0 1.756 3.448 266 134 A 13 PHE HD1 A 13 PHE HB3 1.0 1.756 3.448 267 135 A 13 PHE HD2 A 53 MET HG3 1.0 1.999 5.905 268 135 A 13 PHE HD1 A 53 MET HG3 1.0 1.999 5.905 269 136 A 13 PHE HD1 A 12 ALA HB% 1.0 1.985 5.313 270 136 A 13 PHE HD2 A 12 ALA HB% 1.0 1.985 5.313 271 137 A 13 PHE HD2 A 31 LEU HB2 1.0 1.999 5.819 272 137 A 13 PHE HD1 A 31 LEU HB2 1.0 1.999 5.819 273 138 A 13 PHE HD2 A 14 ILE HG2% 1.0 1.958 4.886 274 138 A 13 PHE HD1 A 14 ILE HG2% 1.0 1.958 4.886 275 139 A 13 PHE HD1 A 23 ILE HG2% 1.0 1.991 5.467 276 139 A 13 PHE HD2 A 23 ILE HG2% 1.0 1.991 5.467 277 140 A 13 PHE HD2 A 31 LEU HB3 1.0 1.991 6.563 278 140 A 13 PHE HD1 A 31 LEU HB3 1.0 1.991 6.563 279 141 A 13 PHE HD1 A 23 ILE HD1% 1.0 1.996 5.672 280 141 A 13 PHE HD2 A 23 ILE HD1% 1.0 1.996 5.672 281 142 A 13 PHE HD1 A 31 LEU HD2% 1.0 1.793 3.633 282 142 A 13 PHE HD2 A 31 LEU HD2% 1.0 1.793 3.633 283 143 A 13 PHE HE2 A 22 HIS HA 1.0 1.939 4.661 284 143 A 13 PHE HE1 A 22 HIS HA 1.0 1.939 4.661 285 144 A 56 TRP HD1 A 56 TRP HB3 1.0 1.553 2.663 286 145 A 56 TRP HD1 A 13 PHE HB3 1.0 1.555 2.671 287 146 A 13 PHE HE2 A 23 ILE HB 1.0 1.945 4.729 288 146 A 13 PHE HE1 A 23 ILE HB 1.0 1.945 4.729 289 147 A 13 PHE HE1 A 23 ILE HG2% 1.0 1.783 3.583 290 147 A 13 PHE HE2 A 23 ILE HG2% 1.0 1.783 3.583 291 148 A 31 LEU HD1% A 13 PHE HE1 1.0 1.954 4.834 292 148 A 31 LEU HD1% A 13 PHE HE2 1.0 1.954 4.834 293 149 A 31 LEU HD2% A 13 PHE HE1 1.0 1.995 5.603 294 149 A 31 LEU HD2% A 13 PHE HE2 1.0 1.995 5.603 295 150 A 31 LEU H A 16 PHE HD2 1.0 1.972 5.074 296 150 A 16 PHE HD1 A 31 LEU H 1.0 1.972 5.074 297 151 A 16 PHE HD2 A 16 PHE HE1 1.0 1.427 2.291 298 151 A 16 PHE HD2 A 16 PHE HE2 1.0 1.427 2.291 299 151 A 16 PHE HD1 A 16 PHE HE2 1.0 1.427 2.291 300 151 A 16 PHE HD1 A 16 PHE HE1 1.0 1.427 2.291 301 152 A 16 PHE HD2 A 12 ALA HA 1.0 1.980 5.220 302 152 A 16 PHE HD1 A 12 ALA HA 1.0 1.980 5.220 303 153 A 16 PHE HD2 A 27 LYS HEx 1.0 1.959 4.897 304 153 A 16 PHE HD1 A 27 LYS HEx 1.0 1.959 4.897 305 153 A 16 PHE HD1 A 27 LYS HEy 1.0 1.959 4.897 306 153 A 16 PHE HD2 A 27 LYS HEy 1.0 1.959 4.897 307 154 A 16 PHE HD2 A 16 PHE HBy 1.0 1.781 3.571 308 154 A 16 PHE HD2 A 16 PHE HBx 1.0 1.781 3.571 309 154 A 16 PHE HD1 A 16 PHE HBx 1.0 1.781 3.571 310 154 A 16 PHE HD1 A 16 PHE HBy 1.0 1.781 3.571 311 155 A 16 PHE HD2 A 30 GLU HG3 1.0 1.835 3.867 312 155 A 16 PHE HD1 A 30 GLU HG3 1.0 1.835 3.867 313 156 A 16 PHE HD2 A 27 LYS HD2 1.0 1.886 4.202 314 156 A 16 PHE HD1 A 27 LYS HD2 1.0 1.886 4.202 315 157 A 31 LEU HB2 A 16 PHE HD2 1.0 1.999 5.853 316 157 A 31 LEU HB2 A 16 PHE HD1 1.0 1.999 5.853 317 158 A 16 PHE HD1 A 15 LEU HD1% 1.0 1.937 4.653 318 158 A 16 PHE HD2 A 15 LEU HD1% 1.0 1.937 4.653 319 159 A 31 LEU HB3 A 16 PHE HD2 1.0 1.827 3.819 320 159 A 31 LEU HB3 A 16 PHE HD1 1.0 1.827 3.819 321 160 A 31 LEU HD2% A 16 PHE HD1 1.0 2.000 5.910 322 160 A 31 LEU HD2% A 16 PHE HD2 1.0 2.000 5.910 323 161 A 16 PHE HE2 A 30 GLU HA 1.0 1.907 4.367 324 161 A 16 PHE HE1 A 30 GLU HA 1.0 1.907 4.367 325 162 A 16 PHE HE2 A 30 GLU HG3 1.0 1.802 3.678 326 162 A 16 PHE HE1 A 30 GLU HG3 1.0 1.802 3.678 327 163 A 31 LEU HB3 A 16 PHE HE2 1.0 1.921 4.483 328 163 A 31 LEU HB3 A 16 PHE HE1 1.0 1.921 4.483 329 164 A 35 PHE HE1 A 35 PHE HD2 1.0 1.651 3.007 330 164 A 35 PHE HE2 A 35 PHE HD2 1.0 1.651 3.007 331 164 A 35 PHE HE2 A 35 PHE HD1 1.0 1.651 3.007 332 164 A 35 PHE HE1 A 35 PHE HD1 1.0 1.651 3.007 333 165 A 56 TRP HZ2 A 35 PHE HD2 1.0 1.940 4.674 334 165 A 56 TRP HZ2 A 35 PHE HD1 1.0 1.940 4.674 335 166 A 56 TRP HH2 A 35 PHE HD2 1.0 1.942 4.700 336 166 A 56 TRP HH2 A 35 PHE HD1 1.0 1.942 4.700 337 167 A 32 MET HA A 35 PHE HD2 1.0 1.916 4.450 338 167 A 32 MET HA A 35 PHE HD1 1.0 1.916 4.450 339 168 A 35 PHE HD2 A 35 PHE HB3 1.0 1.930 4.578 340 168 A 35 PHE HD1 A 35 PHE HB3 1.0 1.930 4.578 341 169 A 31 LEU HD1% A 35 PHE HD1 1.0 1.979 5.203 342 169 A 31 LEU HD1% A 35 PHE HD2 1.0 1.979 5.203 343 170 A 35 PHE HD2 A 31 LEU HG 1.0 1.937 7.487 344 170 A 35 PHE HD1 A 31 LEU HG 1.0 1.937 7.487 345 171 A 59 PHE HD2 A 60 ALA H 1.0 1.912 4.408 346 171 A 59 PHE HD1 A 60 ALA H 1.0 1.912 4.408 347 172 A 59 PHE HD2 A 56 TRP HE3 1.0 1.833 3.857 348 172 A 59 PHE HD1 A 56 TRP HE3 1.0 1.833 3.857 349 173 A 59 PHE HD2 A 28 PHE HZ 1.0 1.912 4.414 350 173 A 59 PHE HD1 A 28 PHE HZ 1.0 1.912 4.414 351 174 A 59 PHE HD2 A 59 PHE HB2 1.0 1.820 3.782 352 174 A 59 PHE HD1 A 59 PHE HB2 1.0 1.820 3.782 353 175 A 59 PHE HD2 A 63 HIS HBy 1.0 1.946 4.736 354 175 A 59 PHE HD2 A 63 HIS HBx 1.0 1.946 4.736 355 175 A 59 PHE HD1 A 63 HIS HBx 1.0 1.946 4.736 356 175 A 59 PHE HD1 A 63 HIS HBy 1.0 1.946 4.736 357 176 A 59 PHE HD2 A 59 PHE HB3 1.0 1.788 3.608 358 176 A 59 PHE HD1 A 59 PHE HB3 1.0 1.788 3.608 359 177 A 59 PHE HD1 A 47 LEU HD2% 1.0 1.798 3.660 360 177 A 59 PHE HD2 A 47 LEU HD2% 1.0 1.798 3.660 361 178 A 37 ILE HG2% A 59 PHE HD1 1.0 1.869 4.081 362 178 A 37 ILE HG2% A 59 PHE HD2 1.0 1.869 4.081 363 179 A 59 PHE HD2 A 60 ALA HB% 1.0 1.915 4.437 364 179 A 59 PHE HD1 A 60 ALA HB% 1.0 1.915 4.437 365 180 A 29 PHE HD2 A 29 PHE H 1.0 1.936 4.636 366 180 A 29 PHE HD1 A 29 PHE H 1.0 1.936 4.636 367 181 A 29 PHE HD2 A 29 PHE HB2 1.0 1.763 3.485 368 181 A 29 PHE HD1 A 29 PHE HB2 1.0 1.763 3.485 369 182 A 29 PHE HD2 A 44 LYS HG2 1.0 1.871 4.097 370 182 A 29 PHE HD1 A 44 LYS HG2 1.0 1.871 4.097 371 183 A 47 LEU HD1% A 29 PHE HD1 1.0 1.961 4.933 372 183 A 47 LEU HD1% A 29 PHE HD2 1.0 1.961 4.933 373 184 A 29 PHE HD1 A 39 LEU HD1% 1.0 1.992 5.516 374 184 A 29 PHE HD2 A 39 LEU HD1% 1.0 1.992 5.516 375 185 A 28 PHE HZ A 59 PHE HE2 1.0 1.920 4.482 376 185 A 28 PHE HZ A 59 PHE HE1 1.0 1.920 4.482 377 186 A 35 PHE HE2 A 12 ALA HB% 1.0 1.597 2.811 378 186 A 35 PHE HE1 A 12 ALA HB% 1.0 1.597 2.811 379 187 A 44 LYS HG2 A 29 PHE HE2 1.0 1.831 3.845 380 187 A 44 LYS HG2 A 29 PHE HE1 1.0 1.831 3.845 381 188 A 29 PHE HE2 A 44 LYS HD2 1.0 1.837 3.875 382 188 A 29 PHE HE1 A 44 LYS HD2 1.0 1.837 3.875 383 189 A 59 PHE HE2 A 47 LEU HD1% 1.0 1.743 3.389 384 189 A 59 PHE HE1 A 47 LEU HD1% 1.0 1.743 3.389 385 190 A 37 ILE HG2% A 59 PHE HE1 1.0 1.749 3.417 386 190 A 37 ILE HG2% A 59 PHE HE2 1.0 1.749 3.417 387 191 A 51 ILE HD1% A 47 LEU HD1% 1.0 1.751 3.427 388 192 A 51 ILE HA A 51 ILE HD1% 1.0 1.880 4.162 389 193 A 51 ILE HG13 A 51 ILE HD1% 1.0 1.632 2.936 390 194 A 51 ILE HD1% A 23 ILE HG2% 1.0 1.883 4.187 391 195 A 38 ILE H A 38 ILE HD1% 1.0 1.934 4.612 392 196 A 38 ILE HD1% A 38 ILE HB 1.0 1.746 3.404 393 197 A 38 ILE HD1% A 38 ILE HA 1.0 1.915 4.429 394 198 A 73 ILE HG12 A 73 ILE HD1% 1.0 1.595 2.803 395 199 A 14 ILE HB A 14 ILE HD1% 1.0 1.705 3.223 396 200 A 14 ILE HD1% A 14 ILE HA 1.0 1.868 4.074 397 201 A 60 ALA HB% A 9 PHE HZ 1.0 1.922 4.498 398 202 A 37 ILE HD1% A 37 ILE HG12 1.0 1.641 2.969 399 203 A 37 ILE HD1% A 56 TRP HH2 1.0 1.778 3.554 400 204 A 37 ILE HG2% A 37 ILE HD1% 1.0 1.548 2.648 401 205 A 37 ILE HD1% A 60 ALA HA 1.0 1.697 3.189 402 206 A 37 ILE HD1% A 37 ILE HB 1.0 1.725 3.307 403 207 A 37 ILE HD1% A 59 PHE HE2 1.0 1.795 3.645 404 207 A 37 ILE HD1% A 59 PHE HE1 1.0 1.795 3.645 405 208 A 23 ILE HD1% A 23 ILE HG12 1.0 1.632 2.936 406 209 A 31 LEU HD1% A 23 ILE HD1% 1.0 1.857 4.001 407 210 A 23 ILE HD1% A 16 PHE HBx 1.0 1.718 3.278 408 210 A 23 ILE HD1% A 16 PHE HBy 1.0 1.718 3.278 409 211 A 31 LEU HD2% A 23 ILE HD1% 1.0 1.725 3.309 410 212 A 23 ILE HD1% A 23 ILE HB 1.0 1.789 3.611 411 213 A 28 PHE HZ A 32 MET HE% 1.0 1.763 3.485 412 214 A 32 MET HE% A 32 MET HG2 1.0 1.877 4.143 413 215 A 32 MET HB3 A 32 MET HE% 1.0 1.701 3.205 414 216 A 32 MET HE% A 32 MET HG3 1.0 1.774 3.538 415 217 A 32 MET HE% A 39 LEU HA 1.0 1.885 4.199 416 218 A 28 PHE HD2 A 32 MET HE% 1.0 1.805 3.697 417 218 A 28 PHE HD1 A 32 MET HE% 1.0 1.805 3.697 418 219 A 44 LYS HZ% A 32 MET HE% 1.0 1.714 3.264 419 220 A 25 MET HG3 A 25 MET HE% 1.0 1.689 3.155 420 221 A 44 LYS HZ% A 25 MET HE% 1.0 1.826 3.816 421 222 A 25 MET HE% A 25 MET HG2 1.0 1.777 3.551 422 223 A 51 ILE HD1% A 25 MET HE% 1.0 1.737 3.359 423 224 A 47 LEU HD1% A 25 MET HE% 1.0 1.696 3.186 424 225 A 51 ILE HB A 23 ILE HG2% 1.0 1.771 3.519 425 226 A 25 MET HE% A 49 ASN HA 1.0 1.765 3.493 426 227 A 23 ILE HG2% A 28 PHE HB2 1.0 1.896 4.278 427 228 A 23 ILE HG2% A 23 ILE HA 1.0 1.879 4.155 428 229 A 28 PHE HE1 A 23 ILE HG2% 1.0 1.768 3.510 429 229 A 28 PHE HE2 A 23 ILE HG2% 1.0 1.768 3.510 430 230 A 28 PHE HD1 A 23 ILE HG2% 1.0 1.777 3.549 431 230 A 28 PHE HD2 A 23 ILE HG2% 1.0 1.777 3.549 432 231 A 23 ILE HG2% A 28 PHE HB3 1.0 1.802 3.678 433 232 A 23 ILE HD1% A 23 ILE HG2% 1.0 1.684 3.134 434 233 A 23 ILE HG2% A 23 ILE HB 1.0 1.687 3.151 435 234 A 23 ILE HG2% A 23 ILE HG12 1.0 1.705 3.225 436 235 A 23 ILE HG2% A 13 PHE HZ 1.0 1.858 4.006 437 236 A 38 ILE HG13 A 38 ILE HG2% 1.0 1.667 3.067 438 237 A 73 ILE HG12 A 73 ILE HG2% 1.0 1.890 4.230 439 238 A 38 ILE HG12 A 38 ILE HG2% 1.0 1.748 3.416 440 239 A 73 ILE HG2% A 73 ILE HB 1.0 1.798 3.658 441 240 A 73 ILE HG2% A 73 ILE HA 1.0 1.835 3.873 442 241 A 51 ILE HG2% A 51 ILE HG12 1.0 1.789 3.611 443 242 A 14 ILE HG2% A 18 SER H 1.0 1.858 4.012 444 243 A 14 ILE HG2% A 14 ILE HA 1.0 1.731 3.335 445 244 A 14 ILE HG2% A 15 LEU HA 1.0 1.744 3.392 446 245 A 14 ILE HG2% A 14 ILE HG13 1.0 1.730 3.330 447 246 A 14 ILE HG2% A 14 ILE HG12 1.0 1.807 3.709 448 247 A 5 MET HG3 A 5 MET HE% 1.0 1.784 3.582 449 248 A 5 MET HE% A 5 MET HG2 1.0 1.832 3.854 450 249 A 35 PHE HE1 A 5 MET HE% 1.0 1.732 3.340 451 249 A 35 PHE HE2 A 5 MET HE% 1.0 1.732 3.340 452 250 A 64 TYR HE1 A 5 MET HE% 1.0 1.805 3.699 453 250 A 64 TYR HE2 A 5 MET HE% 1.0 1.805 3.699 454 251 A 51 ILE HG2% A 55 TYR HB2 1.0 1.829 3.835 455 252 A 28 PHE HE1 A 51 ILE HG2% 1.0 1.772 3.528 456 252 A 28 PHE HE2 A 51 ILE HG2% 1.0 1.772 3.528 457 253 A 51 ILE HG2% A 52 ASN H 1.0 1.839 3.889 458 254 A 51 ILE HD1% A 51 ILE HG2% 1.0 1.672 3.088 459 255 A 51 ILE HG2% A 23 ILE HG2% 1.0 1.492 2.476 460 256 A 55 TYR HD1 A 51 ILE HG2% 1.0 1.691 3.165 461 256 A 55 TYR HD2 A 51 ILE HG2% 1.0 1.691 3.165 462 257 A 51 ILE HG13 A 51 ILE HG2% 1.0 1.805 3.695 463 258 A 14 ILE HG13 A 53 MET HE% 1.0 1.808 3.714 464 259 A 14 ILE H A 53 MET HE% 1.0 1.849 3.951 465 260 A 14 ILE HD1% A 53 MET HE% 1.0 1.711 3.247 466 261 A 13 PHE HE1 A 53 MET HE% 1.0 1.835 3.869 467 261 A 13 PHE HE2 A 53 MET HE% 1.0 1.835 3.869 468 262 A 13 PHE HB3 A 53 MET HE% 1.0 1.794 3.636 469 263 A 53 MET HE% A 53 MET HB3 1.0 1.757 3.455 470 264 A 53 MET HE% A 10 ARG HA 1.0 1.745 3.397 471 265 A 14 ILE HG12 A 53 MET HE% 1.0 1.633 2.941 472 266 A 53 MET HE% A 13 PHE HB2 1.0 1.700 3.202 473 267 A 13 PHE HD1 A 53 MET HE% 1.0 1.685 3.141 474 267 A 13 PHE HD2 A 53 MET HE% 1.0 1.685 3.141 475 268 A 46 ALA H A 46 ALA HB% 1.0 1.569 2.715 476 269 A 46 ALA HB% A 46 ALA HA 1.0 1.473 2.419 477 270 A 46 ALA HB% A 43 GLU HA 1.0 1.765 3.491 478 271 A 40 THR HG2% A 41 ASN H 1.0 1.705 3.225 479 272 A 44 LYS HZ% A 39 LEU HD2% 1.0 1.768 3.504 480 273 A 39 LEU HA A 39 LEU HD2% 1.0 1.619 2.889 481 274 A 39 LEU HD1% A 39 LEU HD2% 1.0 1.522 2.566 482 275 A 28 PHE HZ A 39 LEU HD2% 1.0 1.921 4.485 483 276 A 39 LEU HD2% A 39 LEU HB3 1.0 1.683 3.131 484 277 A 39 LEU HD2% A 43 GLU HB2 1.0 1.801 3.677 485 278 A 39 LEU HD2% A 39 LEU HG 1.0 1.560 2.688 486 279 A 39 LEU HD2% A 44 LYS H 1.0 1.852 3.972 487 280 A 39 LEU HD2% A 43 GLU HB3 1.0 1.758 3.462 488 281 A 47 LEU HD1% A 39 LEU HD2% 1.0 1.870 4.092 489 282 A 39 LEU HD2% A 40 THR H 1.0 1.840 3.896 490 283 A 28 PHE HE1 A 39 LEU HD1% 1.0 1.795 3.643 491 283 A 28 PHE HE2 A 39 LEU HD1% 1.0 1.795 3.643 492 284 A 39 LEU HD1% A 47 LEU HG 1.0 1.749 3.421 493 285 A 57 LEU H A 57 LEU HD2% 1.0 1.897 4.287 494 286 A 57 LEU HD2% A 9 PHE H 1.0 1.844 3.922 495 287 A 57 LEU HD2% A 57 LEU HB3 1.0 1.748 3.412 496 288 A 57 LEU HD2% A 6 GLU HA 1.0 1.931 4.591 497 289 A 57 LEU HD2% A 57 LEU HA 1.0 1.564 2.700 498 290 A 57 LEU HD2% A 9 PHE HD1 1.0 1.835 3.865 499 290 A 57 LEU HD2% A 9 PHE HD2 1.0 1.835 3.865 500 291 A 57 LEU HD2% A 6 GLU HB3 1.0 1.652 3.012 501 291 A 57 LEU HD2% A 6 GLU HB2 1.0 1.652 3.012 502 292 A 57 LEU HD2% A 10 ARG HA 1.0 1.801 3.677 503 293 A 35 PHE HE2 A 31 LEU HD1% 1.0 1.672 3.090 504 293 A 35 PHE HE1 A 31 LEU HD1% 1.0 1.672 3.090 505 294 A 31 LEU HD1% A 12 ALA HB% 1.0 1.622 2.900 506 295 A 31 LEU HD1% A 16 PHE HD1 1.0 1.754 3.442 507 295 A 31 LEU HD1% A 16 PHE HD2 1.0 1.754 3.442 508 296 A 31 LEU HD2% A 31 LEU HD1% 1.0 1.626 2.916 509 297 A 31 LEU HD1% A 31 LEU HG 1.0 1.692 3.170 510 298 A 31 LEU HD1% A 31 LEU HB2 1.0 1.902 4.322 511 299 A 15 LEU HBx A 15 LEU HD2% 1.0 1.488 2.466 512 299 A 15 LEU HBy A 15 LEU HD2% 1.0 1.488 2.466 513 300 A 27 LYS HG2 A 27 LYS HG3 1.0 1.576 2.740 514 301 A 12 ALA HA A 15 LEU HD1% 1.0 1.896 4.280 515 302 A 27 LYS HG2 A 27 LYS HEx 1.0 1.823 3.797 516 302 A 27 LYS HG2 A 27 LYS HEy 1.0 1.823 3.797 517 303 A 15 LEU HD1% A 15 LEU HG 1.0 1.590 2.786 518 304 A 15 LEU HD2% A 15 LEU HG 1.0 1.624 2.910 519 305 A 62 LYS HG3 A 62 LYS HG2 1.0 1.566 2.706 520 306 A 61 LYS HG3 A 58 ASN H 1.0 1.941 4.693 521 307 A 61 LYS HA A 61 LYS HG2 1.0 1.813 3.743 522 308 A 61 LYS HA A 61 LYS HG3 1.0 1.796 3.648 523 309 A 61 LYS HG3 A 61 LYS HBx 1.0 1.673 3.093 524 310 A 58 ASN H A 61 LYS HG2 1.0 1.902 4.322 525 311 A 8 LYS HG3 A 8 LYS HB2 1.0 1.598 2.816 526 312 A 8 LYS HG3 A 8 LYS HA 1.0 1.830 3.834 527 313 A 61 LYS HG2 A 62 LYS H 1.0 1.907 4.367 528 314 A 31 LEU HD2% A 31 LEU HG 1.0 1.650 3.000 529 315 A 47 LEU HD2% A 39 LEU HD2% 1.0 1.593 2.801 530 316 A 47 LEU HD2% A 44 LYS H 1.0 1.894 4.270 531 317 A 55 TYR HD1 A 47 LEU HD2% 1.0 1.860 4.026 532 317 A 55 TYR HD2 A 47 LEU HD2% 1.0 1.860 4.026 533 318 A 47 LEU HD2% A 47 LEU HB2 1.0 1.546 2.644 534 319 A 19 CYS HB2 A 19 CYS HB3 1.0 1.442 2.332 535 320 A 47 LEU HG A 44 LYS HA 1.0 1.824 3.804 536 321 A 47 LEU HD2% A 47 LEU HG 1.0 1.705 3.223 537 322 A 47 LEU HG A 47 LEU HB2 1.0 1.838 3.884 538 323 A 57 LEU HD2% A 57 LEU HG 1.0 1.632 2.934 539 324 A 38 ILE HG12 A 38 ILE HA 1.0 1.888 4.214 540 325 A 15 LEU HBx A 15 LEU HG 1.0 1.520 2.562 541 325 A 15 LEU HBy A 15 LEU HG 1.0 1.520 2.562 542 326 A 38 ILE HA A 38 ILE HG13 1.0 1.791 3.619 543 327 A 47 LEU HD1% A 47 LEU HG 1.0 1.658 3.036 544 328 A 44 LYS HG2 A 44 LYS HG3 1.0 1.553 2.667 545 329 A 47 LEU HD1% A 44 LYS HZ% 1.0 1.642 2.976 546 330 A 47 LEU HD1% A 44 LYS HA 1.0 1.744 3.396 547 331 A 55 TYR HD1 A 47 LEU HD1% 1.0 1.849 3.951 548 331 A 55 TYR HD2 A 47 LEU HD1% 1.0 1.849 3.951 549 332 A 37 ILE HA A 37 ILE HG13 1.0 1.846 3.934 550 333 A 51 ILE HD1% A 51 ILE HG12 1.0 1.710 3.242 551 334 A 51 ILE HG13 A 51 ILE HG12 1.0 1.615 2.873 552 335 A 27 LYS HD3 A 27 LYS HA 1.0 1.759 3.463 553 336 A 10 ARG HG3 A 10 ARG HG2 1.0 1.423 2.279 554 337 A 27 LYS HG3 A 27 LYS HD3 1.0 1.880 4.164 555 338 A 27 LYS HEx A 27 LYS HD3 1.0 1.662 3.050 556 338 A 27 LYS HEy A 27 LYS HD3 1.0 1.662 3.050 557 339 A 23 ILE HB A 23 ILE HG12 1.0 1.749 3.419 558 340 A 27 LYS HD2 A 27 LYS HA 1.0 1.777 3.551 559 341 A 27 LYS HEx A 27 LYS HD2 1.0 1.544 2.634 560 341 A 27 LYS HEy A 27 LYS HD2 1.0 1.544 2.634 561 342 A 23 ILE HG12 A 23 ILE HA 1.0 1.840 3.900 562 343 A 23 ILE HG13 A 23 ILE HA 1.0 1.873 4.109 563 344 A 23 ILE HG13 A 23 ILE HG2% 1.0 1.852 3.972 564 345 A 23 ILE HG13 A 24 GLU H 1.0 1.883 4.183 565 346 A 23 ILE HG13 A 23 ILE HD1% 1.0 1.707 3.231 566 347 A 61 LYS HBx A 61 LYS HDx 1.0 1.657 3.031 567 347 A 61 LYS HBx A 61 LYS HDy 1.0 1.657 3.031 568 348 A 68 GLN HB3 A 68 GLN HA 1.0 1.763 3.485 569 349 A 68 GLN HA A 68 GLN HB2 1.0 1.768 3.504 570 350 A 61 LYS HA A 61 LYS HDx 1.0 1.748 3.412 571 350 A 61 LYS HA A 61 LYS HDy 1.0 1.748 3.412 572 351 A 14 ILE HD1% A 14 ILE HG12 1.0 1.655 3.025 573 352 A 14 ILE HD1% A 14 ILE HG13 1.0 1.612 2.866 574 353 A 14 ILE HG13 A 14 ILE HG12 1.0 1.496 2.488 575 354 A 14 ILE HA A 14 ILE HG13 1.0 1.853 3.981 576 355 A 7 GLU HA A 7 GLU HB2 1.0 1.535 2.609 577 355 A 7 GLU HB3 A 7 GLU HA 1.0 1.535 2.609 578 356 A 71 LYS HD3 A 71 LYS HA 1.0 1.831 3.845 579 357 A 44 LYS HD3 A 44 LYS HE3 1.0 1.773 3.529 580 358 A 67 GLU HB3 A 68 GLN H 1.0 1.741 3.379 581 359 A 67 GLU HB3 A 67 GLU H 1.0 1.760 3.470 582 360 A 32 MET HB3 A 32 MET HB2 1.0 1.571 2.723 583 361 A 30 GLU HBx A 30 GLU H 1.0 1.622 2.898 584 362 A 32 MET HB3 A 32 MET HA 1.0 1.821 3.781 585 363 A 11 GLU HB3 A 11 GLU HA 1.0 1.467 2.403 586 364 A 11 GLU HB3 A 12 ALA H 1.0 1.843 3.919 587 365 A 67 GLU HB2 A 67 GLU HA 1.0 1.519 2.557 588 366 A 24 GLU HG2 A 24 GLU HB3 1.0 1.649 2.997 589 367 A 24 GLU HB2 A 24 GLU HB3 1.0 1.282 1.924 590 368 A 25 MET HG3 A 25 MET HA 1.0 1.711 3.249 591 369 A 11 GLU H A 10 ARG HBx 1.0 1.707 3.231 592 369 A 10 ARG HBy A 11 GLU H 1.0 1.707 3.231 593 370 A 27 LYS HB2 A 27 LYS HG3 1.0 1.802 3.682 594 371 A 27 LYS HB2 A 27 LYS HG2 1.0 1.761 3.475 595 372 A 32 MET HG2 A 32 MET HG3 1.0 1.372 2.146 596 373 A 25 MET HG3 A 25 MET HG2 1.0 1.283 1.925 597 374 A 27 LYS HB3 A 27 LYS H 1.0 1.886 4.206 598 375 A 53 MET HG2 A 53 MET HB2 1.0 1.585 2.771 599 376 A 22 HIS HB2 A 23 ILE H 1.0 1.865 4.063 600 377 A 53 MET HB3 A 53 MET HG2 1.0 1.760 3.470 601 378 A 53 MET HG3 A 57 LEU HD2% 1.0 1.711 3.247 602 379 A 53 MET HG3 A 53 MET HA 1.0 1.552 2.660 603 380 A 22 HIS HB2 A 22 HIS HB3 1.0 1.350 2.090 604 381 A 22 HIS HB3 A 23 ILE H 1.0 1.916 4.448 605 382 A 48 PRO HB3 A 48 PRO HG3 1.0 1.692 3.166 606 383 A 53 MET HG3 A 53 MET H 1.0 1.900 4.306 607 384 A 22 HIS HB2 A 22 HIS H 1.0 1.952 4.808 608 385 A 48 PRO HB2 A 48 PRO HG2 1.0 1.739 3.373 609 386 A 48 PRO HG3 A 48 PRO HB2 1.0 1.810 3.722 610 387 A 48 PRO HB3 A 48 PRO HB2 1.0 1.350 2.090 611 388 A 61 LYS HBx A 61 LYS HZ% 1.0 1.688 3.150 612 389 A 69 PRO HB2 A 69 PRO HB3 1.0 1.340 2.066 613 390 A 1 MET HG3 A 1 MET HBx 1.0 1.388 2.186 614 390 A 1 MET HBy A 1 MET HG3 1.0 1.388 2.186 615 391 A 69 PRO HB2 A 69 PRO HA 1.0 1.592 2.794 616 392 A 1 MET HBx A 1 MET HG2 1.0 1.492 2.478 617 392 A 1 MET HBy A 1 MET HG2 1.0 1.492 2.478 618 393 A 5 MET HBx A 2 ALA HA 1.0 1.552 2.662 619 393 A 5 MET HBy A 2 ALA HA 1.0 1.552 2.662 620 394 A 44 LYS HD3 A 44 LYS HBx 1.0 1.602 2.826 621 394 A 44 LYS HD3 A 44 LYS HBy 1.0 1.602 2.826 622 395 A 44 LYS HA A 44 LYS HBx 1.0 1.672 3.088 623 395 A 44 LYS HA A 44 LYS HBy 1.0 1.672 3.088 624 396 A 44 LYS HBx A 45 ALA H 1.0 1.749 3.421 625 396 A 44 LYS HBy A 45 ALA H 1.0 1.749 3.421 626 397 A 44 LYS HG3 A 44 LYS HBx 1.0 1.706 3.228 627 397 A 44 LYS HG3 A 44 LYS HBy 1.0 1.706 3.228 628 398 A 62 LYS HB2 A 62 LYS HB3 1.0 1.358 2.108 629 399 A 62 LYS HG2 A 62 LYS HB3 1.0 1.842 3.914 630 400 A 62 LYS H A 62 LYS HB3 1.0 1.719 3.285 631 401 A 62 LYS HG3 A 62 LYS HB3 1.0 1.816 3.756 632 402 A 62 LYS HB2 A 62 LYS HG2 1.0 1.786 3.596 633 403 A 62 LYS HB3 A 62 LYS HA 1.0 1.701 3.203 634 404 A 62 LYS HB2 A 62 LYS H 1.0 1.698 3.192 635 405 A 62 LYS HB2 A 62 LYS HA 1.0 1.683 3.133 636 406 A 7 GLU HB2 A 7 GLU HG2 1.0 1.393 2.201 637 406 A 7 GLU HB3 A 7 GLU HG2 1.0 1.393 2.201 638 407 A 26 TYR HB3 A 26 TYR H 1.0 1.741 3.381 639 408 A 26 TYR HA A 26 TYR HB3 1.0 1.640 2.966 640 409 A 30 GLU H A 30 GLU HG2 1.0 1.732 3.340 641 410 A 30 GLU HG3 A 30 GLU HG2 1.0 1.426 2.288 642 411 A 26 TYR HB2 A 26 TYR HB3 1.0 1.289 1.941 643 412 A 67 GLU H A 67 GLU HG3 1.0 1.903 4.337 644 413 A 11 GLU HA A 11 GLU HG3 1.0 1.716 3.270 645 414 A 67 GLU HA A 67 GLU HG3 1.0 1.804 3.688 646 415 A 67 GLU HA A 67 GLU HG2 1.0 1.771 3.521 647 416 A 67 GLU HB3 A 67 GLU HG2 1.0 1.512 2.534 648 417 A 24 GLU HG3 A 24 GLU HA 1.0 1.739 3.369 649 418 A 24 GLU H A 24 GLU HG3 1.0 1.741 3.381 650 419 A 24 GLU HG2 A 24 GLU HA 1.0 1.791 3.623 651 420 A 29 PHE H A 29 PHE HB2 1.0 1.861 4.025 652 421 A 24 GLU HB3 A 24 GLU HG3 1.0 1.676 3.104 653 422 A 43 GLU HA A 43 GLU HGx 1.0 1.699 3.199 654 423 A 43 GLU HA A 43 GLU HGy 1.0 1.665 3.061 655 424 A 43 GLU HGx A 43 GLU H 1.0 1.815 3.751 656 425 A 28 PHE HD2 A 28 PHE HB3 1.0 1.786 3.598 657 425 A 28 PHE HD1 A 28 PHE HB3 1.0 1.786 3.598 658 426 A 28 PHE HD2 A 28 PHE HB2 1.0 1.736 3.360 659 426 A 28 PHE HD1 A 28 PHE HB2 1.0 1.736 3.360 660 427 A 28 PHE HB2 A 28 PHE HB3 1.0 1.582 2.762 661 428 A 14 ILE HB A 11 GLU HA 1.0 1.811 3.733 662 429 A 28 PHE HB2 A 25 MET HA 1.0 1.735 3.353 663 430 A 14 ILE HG2% A 14 ILE HB 1.0 1.592 2.796 664 431 A 29 PHE HE2 A 33 ASN HB2 1.0 1.694 3.176 665 431 A 29 PHE HE1 A 33 ASN HB2 1.0 1.694 3.176 666 432 A 55 TYR HB3 A 55 TYR HA 1.0 1.704 3.218 667 433 A 51 ILE HB A 51 ILE HG2% 1.0 1.680 3.122 668 434 A 51 ILE HB A 51 ILE HD1% 1.0 1.771 3.521 669 435 A 51 ILE HB A 51 ILE HG12 1.0 1.823 3.795 670 436 A 51 ILE HB A 51 ILE HG13 1.0 1.889 4.223 671 437 A 66 TYR HBx A 66 TYR HA 1.0 1.712 3.252 672 437 A 66 TYR HBy A 66 TYR HA 1.0 1.712 3.252 673 438 A 33 ASN HB3 A 33 ASN HA 1.0 1.683 3.129 674 439 A 56 TRP HE1 A 13 PHE HB3 1.0 1.861 4.027 675 440 A 58 ASN HB2 A 58 ASN HA 1.0 1.587 2.777 676 441 A 49 ASN HB2 A 50 ASP H 1.0 1.721 3.293 677 442 A 49 ASN HA A 49 ASN HB3 1.0 1.567 2.709 678 443 A 13 PHE H A 13 PHE HB2 1.0 1.738 3.370 679 444 A 13 PHE HA A 13 PHE HB2 1.0 1.833 3.857 680 445 A 13 PHE HB3 A 13 PHE HB2 1.0 1.621 2.895 681 446 A 13 PHE HD2 A 13 PHE HB2 1.0 1.727 3.315 682 446 A 13 PHE HD1 A 13 PHE HB2 1.0 1.727 3.315 683 447 A 70 PHE HB2 A 72 HIS HE1 1.0 1.695 3.177 684 448 A 70 PHE HB3 A 70 PHE H 1.0 1.786 3.596 685 449 A 70 PHE HB3 A 70 PHE HA 1.0 1.736 3.360 686 450 A 16 PHE HBx A 16 PHE H 1.0 1.671 3.085 687 450 A 16 PHE HBy A 16 PHE H 1.0 1.671 3.085 688 451 A 31 LEU HD1% A 16 PHE HBy 1.0 1.838 3.886 689 451 A 31 LEU HD1% A 16 PHE HBx 1.0 1.838 3.886 690 452 A 59 PHE HB3 A 59 PHE H 1.0 1.715 3.267 691 453 A 59 PHE HB2 A 59 PHE HA 1.0 1.844 3.924 692 454 A 59 PHE HB2 A 59 PHE HB3 1.0 1.592 2.794 693 455 A 59 PHE HB2 A 62 LYS HZ% 1.0 1.814 3.742 694 456 A 59 PHE HB2 A 56 TRP HA 1.0 1.864 4.048 695 457 A 59 PHE HB2 A 59 PHE H 1.0 1.643 2.979 696 458 A 52 ASN HB2 A 52 ASN HB3 1.0 1.534 2.602 697 459 A 52 ASN HB3 A 52 ASN H 1.0 1.695 3.181 698 460 A 31 LEU HB3 A 31 LEU HA 1.0 1.886 4.202 699 461 A 31 LEU HB2 A 31 LEU HB3 1.0 1.697 3.191 700 462 A 31 LEU HD2% A 31 LEU HB3 1.0 1.799 3.667 701 463 A 35 PHE HB3 A 35 PHE HB2 1.0 1.531 2.595 702 464 A 31 LEU HD2% A 31 LEU HB2 1.0 1.790 3.622 703 465 A 57 LEU H A 57 LEU HB2 1.0 1.817 3.767 704 466 A 57 LEU HB3 A 57 LEU HB2 1.0 1.426 2.290 705 467 A 23 ILE HB A 23 ILE HA 1.0 1.790 3.616 706 468 A 50 ASP HB3 A 50 ASP HA 1.0 1.753 3.437 707 469 A 15 LEU HD1% A 15 LEU HBy 1.0 1.502 2.506 708 469 A 15 LEU HD1% A 15 LEU HBx 1.0 1.502 2.506 709 470 A 44 LYS HE3 A 44 LYS HE2 1.0 1.508 2.524 710 471 A 44 LYS HD3 A 44 LYS HE2 1.0 1.716 3.270 711 472 A 74 ASN HD22 A 71 LYS HEx 1.0 1.859 4.015 712 472 A 71 LYS HEy A 74 ASN HD22 1.0 1.859 4.015 713 473 A 71 LYS HD3 A 71 LYS HEx 1.0 1.583 2.765 714 473 A 71 LYS HD3 A 71 LYS HEy 1.0 1.583 2.765 715 474 A 15 LEU HBx A 16 PHE H 1.0 1.752 3.430 716 474 A 15 LEU HBy A 16 PHE H 1.0 1.752 3.430 717 475 A 10 ARG HG2 A 10 ARG HD3 1.0 1.628 2.920 718 476 A 10 ARG HG3 A 10 ARG HD2 1.0 1.771 3.521 719 477 A 10 ARG HG2 A 10 ARG HD2 1.0 1.614 2.872 720 478 A 39 LEU HD1% A 39 LEU HB2 1.0 1.765 3.493 721 479 A 39 LEU HB3 A 39 LEU HB2 1.0 1.552 2.662 722 480 A 36 GLY HA3 A 36 GLY HA2 1.0 1.429 2.297 723 481 A 48 PRO HD2 A 48 PRO HG2 1.0 1.786 3.596 724 482 A 48 PRO HD2 A 48 PRO HD3 1.0 1.566 2.710 725 483 A 48 PRO HG3 A 48 PRO HD3 1.0 1.717 3.273 726 484 A 48 PRO HD3 A 47 LEU HA 1.0 1.681 3.125 727 485 A 48 PRO HG2 A 48 PRO HD3 1.0 1.813 3.743 728 486 A 48 PRO HD2 A 47 LEU HA 1.0 1.639 2.961 729 487 A 52 ASN HB3 A 52 ASN HA 1.0 1.707 3.231 730 488 A 53 MET H A 52 ASN HA 1.0 1.748 3.414 731 489 A 52 ASN HB2 A 52 ASN HA 1.0 1.704 3.220 732 490 A 13 PHE HZ A 52 ASN HA 1.0 1.781 3.569 733 491 A 68 GLN HA A 69 PRO HD2 1.0 1.618 2.884 734 492 A 46 ALA H A 46 ALA HA 1.0 1.725 3.307 735 493 A 65 ASN HA A 66 TYR H 1.0 1.579 2.753 736 494 A 65 ASN H A 65 ASN HA 1.0 1.788 3.608 737 495 A 65 ASN HA A 65 ASN HB3 1.0 1.688 3.152 738 496 A 50 ASP HA A 50 ASP HB2 1.0 1.706 3.228 739 497 A 50 ASP H A 50 ASP HA 1.0 1.774 3.536 740 498 A 51 ILE H A 50 ASP HA 1.0 1.583 2.761 741 499 A 39 LEU HA A 39 LEU HB3 1.0 1.780 3.564 742 500 A 39 LEU HD1% A 39 LEU HA 1.0 1.917 4.453 743 501 A 39 LEU HA A 40 THR H 1.0 1.642 2.976 744 502 A 68 GLN HA A 69 PRO HD3 1.0 1.530 2.590 745 503 A 47 LEU HD2% A 47 LEU HA 1.0 1.616 2.878 746 504 A 47 LEU HA A 47 LEU H 1.0 1.810 3.728 747 505 A 45 ALA HA A 45 ALA HB% 1.0 1.457 2.375 748 506 A 45 ALA H A 45 ALA HA 1.0 1.675 3.097 749 507 A 49 ASN HA A 50 ASP H 1.0 1.840 3.892 750 508 A 49 ASN HA A 49 ASN H 1.0 1.780 3.570 751 509 A 2 ALA HB% A 2 ALA HA 1.0 1.496 2.488 752 510 A 56 TRP HZ2 A 32 MET HA 1.0 1.813 3.737 753 511 A 12 ALA HB% A 12 ALA HA 1.0 1.441 2.331 754 512 A 23 ILE HG2% A 22 HIS HA 1.0 1.903 4.339 755 513 A 23 ILE H A 22 HIS HA 1.0 1.638 2.958 756 514 A 22 HIS HD2 A 22 HIS HA 1.0 1.874 4.114 757 515 A 22 HIS HB3 A 22 HIS HA 1.0 1.741 3.379 758 516 A 74 ASN HA A 74 ASN H 1.0 1.801 3.677 759 517 A 22 HIS HB2 A 22 HIS HA 1.0 1.719 3.279 760 518 A 22 HIS HA A 22 HIS H 1.0 1.851 3.967 761 519 A 32 MET HA A 34 SER H 1.0 1.786 3.600 762 520 A 12 ALA HA A 12 ALA H 1.0 1.727 3.313 763 521 A 12 ALA HA A 15 LEU HBx 1.0 1.612 2.866 764 521 A 12 ALA HA A 15 LEU HBy 1.0 1.612 2.866 765 522 A 60 ALA HB% A 60 ALA HA 1.0 1.578 2.746 766 523 A 60 ALA HA A 62 LYS H 1.0 1.913 4.415 767 524 A 21 ASP HBx A 21 ASP HA 1.0 1.575 2.737 768 524 A 21 ASP HBy A 21 ASP HA 1.0 1.575 2.737 769 525 A 25 MET H A 24 GLU HA 1.0 1.621 2.895 770 526 A 54 ASP HA A 54 ASP HBx 1.0 1.481 2.443 771 526 A 54 ASP HA A 54 ASP HBy 1.0 1.481 2.443 772 527 A 31 LEU HD1% A 31 LEU HA 1.0 1.598 2.818 773 528 A 63 HIS HA A 63 HIS HBx 1.0 1.687 3.149 774 528 A 63 HIS HA A 63 HIS HBy 1.0 1.687 3.149 775 529 A 62 LYS HG2 A 62 LYS HA 1.0 1.786 3.596 776 530 A 62 LYS H A 62 LYS HA 1.0 1.687 3.147 777 531 A 1 MET HBx A 1 MET HA 1.0 1.491 2.473 778 531 A 1 MET HBy A 1 MET HA 1.0 1.491 2.473 779 532 A 72 HIS HE1 A 70 PHE HA 1.0 1.735 3.353 780 533 A 20 SER HA A 21 ASP H 1.0 1.771 3.525 781 534 A 15 LEU HA A 15 LEU HD2% 1.0 1.702 3.210 782 535 A 15 LEU HA A 15 LEU H 1.0 1.671 3.083 783 536 A 15 LEU HA A 15 LEU HBx 1.0 1.431 2.303 784 536 A 15 LEU HA A 15 LEU HBy 1.0 1.431 2.303 785 537 A 57 LEU HB3 A 57 LEU HA 1.0 1.756 3.452 786 538 A 9 PHE HD2 A 9 PHE HA 1.0 1.608 2.848 787 538 A 9 PHE HD1 A 9 PHE HA 1.0 1.608 2.848 788 539 A 60 ALA HB% A 57 LEU HA 1.0 1.798 3.664 789 540 A 61 LYS HA A 61 LYS HBx 1.0 1.467 2.403 790 541 A 14 ILE HD1% A 11 GLU HA 1.0 1.539 2.621 791 542 A 38 ILE HA A 38 ILE HG2% 1.0 1.534 2.606 792 543 A 44 LYS HA A 47 LEU H 1.0 1.803 3.685 793 544 A 44 LYS H A 44 LYS HA 1.0 1.796 3.650 794 545 A 55 TYR HB2 A 55 TYR HA 1.0 1.632 2.938 795 546 A 10 ARG HA A 10 ARG HBx 1.0 1.499 2.497 796 546 A 10 ARG HA A 10 ARG HBy 1.0 1.499 2.497 797 547 A 3 SER HA A 3 SER HB3 1.0 1.589 2.783 798 548 A 6 GLU HA A 6 GLU HB2 1.0 1.634 2.942 799 548 A 6 GLU HA A 6 GLU HB3 1.0 1.634 2.942 800 549 A 28 PHE HB3 A 28 PHE HA 1.0 1.793 3.633 801 550 A 40 THR HA A 40 THR HB 1.0 1.635 2.947 802 551 A 23 ILE HD1% A 28 PHE HA 1.0 1.731 3.335 803 552 A 40 THR HG2% A 40 THR HA 1.0 1.603 2.833 804 553 A 31 LEU HB3 A 28 PHE HA 1.0 1.826 3.818 805 554 A 28 PHE HD2 A 28 PHE HA 1.0 1.762 3.480 806 554 A 28 PHE HD1 A 28 PHE HA 1.0 1.762 3.480 807 555 A 41 ASN H A 40 THR HA 1.0 1.809 3.723 808 556 A 26 TYR HA A 26 TYR HB2 1.0 1.534 2.604 809 557 A 62 LYS HB3 A 59 PHE HA 1.0 1.800 3.666 810 558 A 59 PHE HA A 62 LYS HZ% 1.0 1.703 3.215 811 559 A 59 PHE H A 59 PHE HA 1.0 1.682 3.130 812 560 A 37 ILE HG2% A 37 ILE HA 1.0 1.645 2.985 813 561 A 37 ILE HA A 38 ILE H 1.0 1.537 2.615 814 562 A 49 ASN H A 48 PRO HA 1.0 1.599 2.819 815 563 A 48 PRO HB3 A 48 PRO HA 1.0 1.675 3.101 816 564 A 18 SER H A 18 SER HBx 1.0 1.820 3.782 817 564 A 18 SER H A 18 SER HBy 1.0 1.820 3.782 818 565 A 51 ILE HA A 51 ILE HG13 1.0 1.818 3.768 819 566 A 51 ILE HA A 51 ILE HG2% 1.0 1.719 3.279 820 567 A 51 ILE HA A 52 ASN H 1.0 1.623 2.903 821 568 A 1 MET HG2 A 3 SER HB2 1.0 1.856 3.994 822 569 A 3 SER HB2 A 3 SER H 1.0 1.731 3.335 823 570 A 13 PHE HA A 13 PHE HB3 1.0 1.744 3.394 824 571 A 13 PHE HD2 A 13 PHE HA 1.0 1.818 3.766 825 571 A 13 PHE HD1 A 13 PHE HA 1.0 1.818 3.766 826 572 A 13 PHE HA A 31 LEU HD1% 1.0 1.800 3.672 827 573 A 13 PHE H A 13 PHE HA 1.0 1.763 3.483 828 574 A 13 PHE HA A 31 LEU HD2% 1.0 1.704 3.218 829 575 A 17 SER HB2 A 17 SER HB3 1.0 1.586 2.776 830 576 A 14 ILE HA A 15 LEU H 1.0 1.806 3.702 831 577 A 40 THR HG2% A 40 THR HB 1.0 1.610 2.856 832 578 A 38 ILE H A 38 ILE HA 1.0 1.799 3.663 833 579 A 38 ILE H A 38 ILE HG13 1.0 1.863 4.043 834 580 A 38 ILE H A 38 ILE HG2% 1.0 1.760 3.472 835 581 A 38 ILE HG12 A 38 ILE H 1.0 1.890 4.228 836 582 A 74 ASN H A 74 ASN HB3 1.0 1.923 4.507 837 583 A 73 ILE HA A 74 ASN H 1.0 1.777 3.547 838 584 A 73 ILE HG2% A 74 ASN H 1.0 1.967 5.003 839 585 A 73 ILE HB A 74 ASN H 1.0 1.977 5.165 840 586 A 56 TRP HE1 A 57 LEU HD2% 1.0 1.940 4.678 841 587 A 56 TRP HE1 A 31 LEU HD1% 1.0 1.984 5.296 842 588 A 56 TRP HE1 A 31 LEU HD2% 1.0 1.984 5.304 843 589 A 56 TRP HE1 A 13 PHE HD2 1.0 1.849 3.951 844 589 A 56 TRP HE1 A 13 PHE HD1 1.0 1.849 3.951 845 590 A 56 TRP HE1 A 13 PHE H 1.0 1.974 5.122 846 591 A 56 TRP HE1 A 9 PHE HD2 1.0 1.974 5.116 847 591 A 56 TRP HE1 A 9 PHE HD1 1.0 1.974 5.116 848 592 A 56 TRP HE1 A 12 ALA HB% 1.0 1.940 4.670 849 593 A 23 ILE H A 24 GLU H 1.0 1.992 5.502 850 594 A 24 GLU HB2 A 24 GLU H 1.0 1.850 3.956 851 595 A 23 ILE HD1% A 24 GLU H 1.0 1.960 4.906 852 596 A 23 ILE HB A 24 GLU H 1.0 1.867 4.069 853 597 A 23 ILE HA A 24 GLU H 1.0 1.562 2.696 854 598 A 23 ILE HG12 A 24 GLU H 1.0 1.741 3.379 855 599 A 24 GLU HG2 A 24 GLU H 1.0 1.775 3.539 856 600 A 38 ILE HG2% A 39 LEU H 1.0 1.741 3.381 857 601 A 39 LEU HB2 A 39 LEU H 1.0 1.658 3.032 858 602 A 39 LEU HA A 39 LEU H 1.0 1.927 4.541 859 603 A 38 ILE HA A 39 LEU H 1.0 1.601 2.825 860 604 A 39 LEU HB3 A 39 LEU H 1.0 1.737 3.363 861 605 A 51 ILE H A 50 ASP HB2 1.0 1.927 4.547 862 606 A 51 ILE H A 51 ILE HB 1.0 1.763 3.483 863 607 A 51 ILE H A 51 ILE HG12 1.0 1.852 3.970 864 608 A 51 ILE H A 51 ILE HG13 1.0 1.928 4.548 865 609 A 51 ILE H A 51 ILE HA 1.0 1.910 4.398 866 610 A 51 ILE H A 51 ILE HD1% 1.0 1.954 4.832 867 611 A 51 ILE H A 50 ASP H 1.0 1.955 4.843 868 612 A 60 ALA H A 61 LYS H 1.0 1.812 3.736 869 613 A 60 ALA H A 57 LEU HA 1.0 1.967 5.005 870 614 A 60 ALA H A 58 ASN H 1.0 1.848 3.948 871 615 A 60 ALA H A 56 TRP HA 1.0 1.974 5.116 872 616 A 60 ALA H A 59 PHE HB2 1.0 1.833 3.857 873 617 A 60 ALA H A 59 PHE HA 1.0 1.946 4.736 874 618 A 60 ALA HB% A 60 ALA H 1.0 1.696 3.184 875 619 A 60 ALA H A 60 ALA HA 1.0 1.770 3.518 876 620 A 60 ALA H A 61 LYS HA 1.0 1.998 5.754 877 621 A 65 ASN H A 66 TYR H 1.0 1.991 5.453 878 622 A 65 ASN H A 65 ASN HB3 1.0 1.786 3.596 879 623 A 65 ASN H A 65 ASN HB2 1.0 1.793 3.633 880 624 A 3 SER HB2 A 4 ASP H 1.0 1.891 4.245 881 625 A 3 SER HB3 A 4 ASP H 1.0 1.964 4.954 882 626 A 3 SER HA A 4 ASP H 1.0 1.834 3.864 883 627 A 4 ASP H A 4 ASP HB3 1.0 1.710 3.244 884 628 A 4 ASP H A 4 ASP HB2 1.0 1.705 3.223 885 629 A 4 ASP H A 4 ASP HA 1.0 1.803 3.689 886 630 A 51 ILE HB A 52 ASN H 1.0 1.997 5.655 887 631 A 51 ILE HG13 A 52 ASN H 1.0 1.994 5.574 888 632 A 52 ASN H A 52 ASN HA 1.0 1.906 4.358 889 633 A 52 ASN H A 53 MET H 1.0 1.925 4.521 890 634 A 71 LYS HA A 71 LYS H 1.0 1.917 4.457 891 635 A 70 PHE HB2 A 71 LYS H 1.0 1.949 4.771 892 636 A 70 PHE HA A 71 LYS H 1.0 1.737 3.363 893 637 A 71 LYS H A 71 LYS HB2 1.0 1.829 3.831 894 638 A 71 LYS H A 71 LYS HG2 1.0 1.961 4.911 895 639 A 9 PHE HD2 A 10 ARG H 1.0 1.979 5.203 896 639 A 9 PHE HD1 A 10 ARG H 1.0 1.979 5.203 897 640 A 7 GLU HA A 10 ARG H 1.0 1.825 3.807 898 641 A 10 ARG HA A 10 ARG H 1.0 1.778 3.558 899 642 A 10 ARG HBx A 10 ARG H 1.0 1.626 2.914 900 642 A 10 ARG HBy A 10 ARG H 1.0 1.626 2.914 901 643 A 9 PHE HB2 A 10 ARG H 1.0 1.824 3.808 902 644 A 25 MET H A 26 TYR H 1.0 1.838 3.888 903 645 A 6 GLU HA A 10 ARG H 1.0 1.990 5.466 904 646 A 25 MET H A 24 GLU HB2 1.0 1.670 3.082 905 647 A 25 MET H A 25 MET HB3 1.0 1.732 3.342 906 648 A 25 MET H A 24 GLU HG3 1.0 1.861 4.029 907 649 A 25 MET H A 25 MET HA 1.0 1.838 3.880 908 650 A 25 MET H A 24 GLU HB3 1.0 1.930 4.572 909 651 A 25 MET H A 28 PHE HB2 1.0 1.972 5.088 910 652 A 31 LEU H A 31 LEU HG 1.0 1.954 4.832 911 653 A 31 LEU HD2% A 31 LEU H 1.0 1.934 4.612 912 654 A 31 LEU H A 30 GLU HG3 1.0 1.776 3.546 913 655 A 31 LEU H A 31 LEU HA 1.0 1.796 3.650 914 656 A 31 LEU HB2 A 31 LEU H 1.0 1.772 3.526 915 657 A 31 LEU H A 32 MET H 1.0 1.832 3.850 916 658 A 31 LEU HB3 A 31 LEU H 1.0 1.748 3.410 917 659 A 31 LEU H A 30 GLU H 1.0 1.786 3.598 918 660 A 31 LEU H A 30 GLU HA 1.0 1.896 4.278 919 661 A 31 LEU H A 30 GLU HG2 1.0 1.975 5.125 920 662 A 23 ILE HD1% A 28 PHE H 1.0 1.974 5.116 921 663 A 27 LYS H A 28 PHE H 1.0 1.778 3.554 922 664 A 29 PHE H A 28 PHE H 1.0 1.793 3.631 923 665 A 28 PHE HA A 28 PHE H 1.0 1.837 3.879 924 666 A 27 LYS HB2 A 28 PHE H 1.0 1.816 3.754 925 667 A 28 PHE HD2 A 28 PHE H 1.0 1.958 4.888 926 667 A 28 PHE HD1 A 28 PHE H 1.0 1.958 4.888 927 668 A 28 PHE HB2 A 28 PHE H 1.0 1.765 3.495 928 669 A 28 PHE HB3 A 28 PHE H 1.0 1.634 2.946 929 670 A 73 ILE HA A 73 ILE H 1.0 1.944 4.716 930 671 A 73 ILE HB A 73 ILE H 1.0 1.916 4.448 931 672 A 73 ILE H A 73 ILE HG13 1.0 1.971 5.063 932 673 A 60 ALA H A 59 PHE H 1.0 1.843 3.911 933 674 A 73 ILE HG2% A 73 ILE H 1.0 1.998 5.716 934 675 A 58 ASN H A 59 PHE H 1.0 1.730 3.334 935 676 A 59 PHE H A 56 TRP HA 1.0 1.940 4.668 936 677 A 60 ALA HB% A 59 PHE H 1.0 1.962 4.926 937 678 A 64 TYR H A 62 LYS HA 1.0 1.865 4.053 938 679 A 63 HIS H A 64 TYR H 1.0 1.727 3.319 939 680 A 60 ALA HB% A 64 TYR H 1.0 1.989 5.429 940 681 A 63 HIS HA A 64 TYR H 1.0 1.934 4.618 941 682 A 63 HIS HBx A 64 TYR H 1.0 1.700 3.202 942 682 A 63 HIS HBy A 64 TYR H 1.0 1.700 3.202 943 683 A 63 HIS HD2 A 64 TYR H 1.0 1.961 4.919 944 684 A 64 TYR H A 64 TYR HE2 1.0 1.991 5.481 945 684 A 64 TYR H A 64 TYR HE1 1.0 1.991 5.481 946 685 A 64 TYR H A 61 LYS H 1.0 1.972 5.082 947 686 A 64 TYR H A 62 LYS HG3 1.0 1.994 5.554 948 687 A 3 SER H A 2 ALA H 1.0 1.780 3.566 949 688 A 2 ALA H A 1 MET HE% 1.0 1.885 4.197 950 689 A 2 ALA HB% A 2 ALA H 1.0 1.790 3.618 951 690 A 2 ALA HA A 2 ALA H 1.0 1.836 3.872 952 691 A 1 MET HA A 2 ALA H 1.0 1.939 4.663 953 692 A 66 TYR HE2 A 66 TYR H 1.0 1.941 4.693 954 692 A 66 TYR HE1 A 66 TYR H 1.0 1.941 4.693 955 693 A 66 TYR H A 65 ASN HB3 1.0 1.943 4.709 956 694 A 64 TYR HB3 A 66 TYR H 1.0 1.898 4.296 957 695 A 66 TYR HBx A 66 TYR H 1.0 1.721 3.291 958 695 A 66 TYR HBy A 66 TYR H 1.0 1.721 3.291 959 696 A 45 ALA H A 47 LEU H 1.0 1.997 5.731 960 697 A 48 PRO HD2 A 47 LEU H 1.0 1.995 5.613 961 698 A 47 LEU HG A 47 LEU H 1.0 1.672 3.086 962 699 A 46 ALA HB% A 47 LEU H 1.0 1.864 4.056 963 700 A 47 LEU HB3 A 47 LEU H 1.0 1.780 3.566 964 701 A 55 TYR H A 54 ASP HA 1.0 1.862 4.038 965 702 A 24 GLU HG2 A 27 LYS H 1.0 1.989 5.423 966 703 A 27 LYS HG3 A 27 LYS H 1.0 1.897 4.285 967 704 A 27 LYS HG2 A 27 LYS H 1.0 1.871 4.101 968 705 A 27 LYS HB2 A 27 LYS H 1.0 1.702 3.210 969 706 A 26 TYR HA A 27 LYS H 1.0 1.937 4.647 970 707 A 24 GLU HB2 A 27 LYS H 1.0 1.933 4.599 971 708 A 27 LYS HA A 27 LYS H 1.0 1.856 3.998 972 709 A 26 TYR HD2 A 27 LYS H 1.0 1.946 4.740 973 709 A 26 TYR HD1 A 27 LYS H 1.0 1.946 4.740 974 710 A 43 GLU HB2 A 43 GLU H 1.0 1.575 2.739 975 711 A 36 GLY HA2 A 37 ILE H 1.0 1.836 3.872 976 712 A 37 ILE HD1% A 37 ILE H 1.0 1.781 3.569 977 713 A 69 PRO HA A 70 PHE H 1.0 1.644 2.982 978 714 A 37 ILE HB A 37 ILE H 1.0 1.625 2.913 979 715 A 44 LYS H A 43 GLU H 1.0 1.664 3.056 980 716 A 33 ASN HA A 33 ASN H 1.0 1.731 3.337 981 717 A 30 GLU HA A 33 ASN H 1.0 1.835 3.871 982 718 A 23 ILE H A 23 ILE HA 1.0 1.826 3.812 983 719 A 11 GLU HA A 12 ALA H 1.0 1.760 3.472 984 720 A 12 ALA H A 11 GLU HG2 1.0 1.774 3.538 985 721 A 33 ASN HB2 A 33 ASN H 1.0 1.586 2.774 986 722 A 22 HIS H A 21 ASP H 1.0 1.768 3.510 987 723 A 40 THR HB A 42 ASP H 1.0 1.644 2.982 988 724 A 68 GLN H A 69 PRO HD2 1.0 1.920 4.480 989 725 A 14 ILE HG2% A 15 LEU H 1.0 1.859 4.021 990 726 A 14 ILE HB A 15 LEU H 1.0 1.747 3.411 991 727 A 15 LEU HBx A 15 LEU H 1.0 1.514 2.542 992 727 A 15 LEU HBy A 15 LEU H 1.0 1.514 2.542 993 728 A 15 LEU HG A 15 LEU H 1.0 1.824 3.806 994 729 A 15 LEU HD1% A 15 LEU H 1.0 1.855 3.991 995 730 A 33 ASN H A 33 ASN HD22 1.0 1.833 3.855 996 731 A 29 PHE HB2 A 30 GLU H 1.0 1.824 3.806 997 732 A 30 GLU HA A 30 GLU H 1.0 1.764 3.492 998 733 A 30 GLU HG3 A 30 GLU H 1.0 1.675 3.099 999 734 A 23 ILE H A 23 ILE HG2% 1.0 1.726 3.312 1000 735 A 41 ASN H A 41 ASN HBx 1.0 1.997 5.679 1001 735 A 41 ASN H A 41 ASN HBy 1.0 1.997 5.679 1002 736 A 56 TRP H A 56 TRP HA 1.0 1.885 4.197 1003 737 A 56 TRP H A 56 TRP HE3 1.0 1.920 4.478 1004 738 A 56 TRP H A 56 TRP HB2 1.0 1.572 2.726 1005 739 A 53 MET H A 52 ASN HD22 1.0 1.765 3.491 1006 740 A 44 LYS H A 41 ASN HA 1.0 1.845 3.931 1007 741 A 43 GLU HB2 A 44 LYS H 1.0 1.789 3.611 1008 742 A 44 LYS H A 44 LYS HG3 1.0 1.903 4.339 1009 743 A 44 LYS H A 44 LYS HBx 1.0 1.643 2.979 1010 743 A 44 LYS H A 44 LYS HBy 1.0 1.643 2.979 1011 744 A 46 ALA H A 44 LYS H 1.0 1.953 4.821 1012 745 A 44 LYS HG2 A 44 LYS H 1.0 1.691 3.161 1013 746 A 12 ALA H A 10 ARG H 1.0 1.953 4.825 1014 747 A 9 PHE H A 7 GLU H 1.0 1.980 5.224 1015 748 A 42 ASP H A 41 ASN HBx 1.0 1.841 3.909 1016 748 A 42 ASP H A 41 ASN HBy 1.0 1.841 3.909 1017 749 A 9 PHE H A 9 PHE HA 1.0 1.850 3.960 1018 750 A 42 ASP H A 42 ASP HA 1.0 1.797 3.653 1019 751 A 9 PHE H A 8 LYS HA 1.0 1.896 4.274 1020 752 A 40 THR HG2% A 42 ASP H 1.0 1.995 5.601 1021 753 A 9 PHE HB2 A 9 PHE H 1.0 1.756 3.450 1022 754 A 5 MET HBx A 6 GLU H 1.0 1.823 3.793 1023 754 A 5 MET HBy A 6 GLU H 1.0 1.823 3.793 1024 755 A 9 PHE H A 8 LYS H 1.0 1.779 3.557 1025 756 A 6 GLU HA A 9 PHE H 1.0 1.933 4.599 1026 757 A 9 PHE HD2 A 9 PHE H 1.0 1.871 4.095 1027 757 A 9 PHE HD1 A 9 PHE H 1.0 1.871 4.095 1028 758 A 12 ALA H A 11 GLU HB2 1.0 1.666 3.066 1029 759 A 45 ALA H A 45 ALA HB% 1.0 1.561 2.691 1030 760 A 3 SER HA A 6 GLU H 1.0 1.741 3.379 1031 761 A 12 ALA HB% A 12 ALA H 1.0 1.634 2.946 1032 762 A 6 GLU HB2 A 6 GLU H 1.0 1.596 2.808 1033 762 A 6 GLU HB3 A 6 GLU H 1.0 1.596 2.808 1034 763 A 6 GLU HA A 6 GLU H 1.0 1.812 3.738 1035 764 A 9 PHE HD2 A 6 GLU H 1.0 1.993 5.551 1036 764 A 9 PHE HD1 A 6 GLU H 1.0 1.993 5.551 1037 765 A 53 MET HB2 A 53 MET H 1.0 1.738 3.364 1038 766 A 53 MET HB3 A 53 MET H 1.0 1.816 3.756 1039 767 A 13 PHE HA A 14 ILE H 1.0 1.924 4.522 1040 768 A 14 ILE H A 14 ILE HB 1.0 1.578 2.746 1041 769 A 14 ILE H A 14 ILE HG12 1.0 1.653 3.013 1042 770 A 14 ILE H A 14 ILE HG13 1.0 1.801 3.675 1043 771 A 14 ILE H A 14 ILE HA 1.0 1.737 3.359 1044 772 A 14 ILE H A 13 PHE HB2 1.0 1.846 3.934 1045 773 A 13 PHE H A 13 PHE HD2 1.0 1.901 4.319 1046 773 A 13 PHE H A 13 PHE HD1 1.0 1.901 4.319 1047 774 A 13 PHE H A 31 LEU HD2% 1.0 1.977 5.155 1048 775 A 13 PHE H A 31 LEU HD1% 1.0 1.961 4.913 1049 776 A 13 PHE H A 12 ALA HB% 1.0 1.757 3.455 1050 777 A 13 PHE H A 12 ALA HA 1.0 1.908 4.378 1051 778 A 13 PHE H A 13 PHE HB3 1.0 1.782 3.580 1052 779 A 13 PHE H A 12 ALA H 1.0 1.746 3.402 1053 780 A 7 GLU HB2 A 8 LYS H 1.0 1.759 3.461 1054 780 A 7 GLU HB3 A 8 LYS H 1.0 1.759 3.461 1055 781 A 8 LYS HA A 8 LYS H 1.0 1.725 3.309 1056 782 A 7 GLU HG2 A 8 LYS H 1.0 1.931 4.577 1057 783 A 68 GLN H A 67 GLU H 1.0 1.821 3.783 1058 784 A 67 GLU H A 67 GLU HG2 1.0 1.744 3.394 1059 785 A 67 GLU H A 67 GLU HA 1.0 1.697 3.193 1060 786 A 31 LEU HG A 32 MET H 1.0 1.939 4.669 1061 787 A 32 MET H A 33 ASN H 1.0 1.548 2.650 1062 788 A 32 MET HG3 A 32 MET H 1.0 1.764 3.490 1063 789 A 31 LEU HB2 A 32 MET H 1.0 1.773 3.533 1064 790 A 31 LEU HA A 32 MET H 1.0 1.738 3.370 1065 791 A 28 PHE HA A 32 MET H 1.0 1.953 4.825 1066 792 A 31 LEU HD2% A 32 MET H 1.0 1.956 4.852 1067 793 A 32 MET HA A 32 MET H 1.0 1.828 3.826 1068 794 A 32 MET H A 29 PHE HA 1.0 1.927 4.553 1069 795 A 4 ASP HA A 5 MET H 1.0 1.771 3.519 1070 796 A 4 ASP HB2 A 5 MET H 1.0 1.739 3.371 1071 797 A 4 ASP H A 5 MET H 1.0 1.752 3.428 1072 798 A 35 PHE HB3 A 35 PHE H 1.0 1.803 3.689 1073 799 A 33 ASN HA A 35 PHE H 1.0 1.979 5.207 1074 800 A 35 PHE H A 34 SER HBx 1.0 1.880 4.156 1075 800 A 35 PHE H A 34 SER HBy 1.0 1.880 4.156 1076 801 A 35 PHE HB2 A 35 PHE H 1.0 1.735 3.355 1077 802 A 13 PHE H A 11 GLU H 1.0 1.923 4.513 1078 803 A 34 SER H A 35 PHE H 1.0 1.749 3.417 1079 804 A 34 SER H A 34 SER HBx 1.0 1.616 2.878 1080 804 A 34 SER H A 34 SER HBy 1.0 1.616 2.878 1081 805 A 12 ALA H A 11 GLU H 1.0 1.775 3.541 1082 806 A 10 ARG HA A 11 GLU H 1.0 1.751 3.429 1083 807 A 34 SER H A 34 SER HA 1.0 1.664 3.058 1084 808 A 11 GLU H A 10 ARG HD3 1.0 1.985 5.311 1085 809 A 11 GLU H A 11 GLU HB2 1.0 1.545 2.641 1086 810 A 11 GLU H A 10 ARG H 1.0 1.814 3.748 1087 811 A 46 ALA H A 44 LYS HG3 1.0 1.996 5.654 1088 812 A 46 ALA H A 47 LEU HG 1.0 1.956 4.862 1089 813 A 46 ALA H A 45 ALA HA 1.0 1.846 3.938 1090 814 A 46 ALA H A 45 ALA H 1.0 1.801 3.677 1091 815 A 57 LEU H A 58 ASN H 1.0 1.855 3.991 1092 816 A 57 LEU H A 56 TRP HB2 1.0 1.818 3.768 1093 817 A 57 LEU H A 56 TRP H 1.0 1.831 3.843 1094 818 A 57 LEU H A 57 LEU HB3 1.0 1.827 3.817 1095 819 A 57 LEU H A 53 MET HG3 1.0 1.965 4.975 1096 820 A 57 LEU H A 57 LEU HA 1.0 1.795 3.643 1097 821 A 57 LEU H A 57 LEU HD1% 1.0 1.767 3.503 1098 822 A 57 LEU H A 54 ASP HA 1.0 1.886 4.200 1099 823 A 16 PHE H A 15 LEU H 1.0 1.839 3.889 1100 824 A 18 SER H A 16 PHE H 1.0 1.918 4.468 1101 825 A 16 PHE HD2 A 16 PHE H 1.0 1.843 3.915 1102 825 A 16 PHE HD1 A 16 PHE H 1.0 1.843 3.915 1103 826 A 12 ALA HA A 16 PHE H 1.0 1.941 4.691 1104 827 A 13 PHE HA A 16 PHE H 1.0 1.967 4.993 1105 828 A 15 LEU HD1% A 16 PHE H 1.0 1.969 5.041 1106 829 A 29 PHE H A 30 GLU H 1.0 1.743 3.391 1107 830 A 53 MET HB3 A 54 ASP H 1.0 1.908 4.374 1108 831 A 52 ASN HB2 A 54 ASP H 1.0 1.902 4.328 1109 832 A 29 PHE H A 28 PHE HB3 1.0 1.893 4.255 1110 833 A 29 PHE H A 29 PHE HA 1.0 1.752 3.434 1111 834 A 53 MET HB2 A 54 ASP H 1.0 1.745 3.399 1112 835 A 54 ASP HBx A 54 ASP H 1.0 1.650 3.004 1113 835 A 54 ASP HBy A 54 ASP H 1.0 1.650 3.004 1114 836 A 28 PHE HD2 A 29 PHE H 1.0 1.955 4.855 1115 836 A 28 PHE HD1 A 29 PHE H 1.0 1.955 4.855 1116 837 A 29 PHE H A 27 LYS H 1.0 1.992 5.484 1117 838 A 52 ASN HD22 A 54 ASP H 1.0 1.980 5.236 1118 839 A 55 TYR H A 54 ASP H 1.0 1.678 3.114 1119 840 A 50 ASP H A 48 PRO HA 1.0 1.876 4.130 1120 841 A 50 ASP H A 50 ASP HB2 1.0 1.767 3.501 1121 842 A 7 GLU H A 8 LYS H 1.0 1.814 3.748 1122 843 A 6 GLU HA A 7 GLU H 1.0 1.965 4.971 1123 844 A 7 GLU HG2 A 7 GLU H 1.0 1.812 3.732 1124 845 A 7 GLU HA A 7 GLU H 1.0 1.801 3.673 1125 846 A 4 ASP HA A 7 GLU H 1.0 1.960 4.918 1126 847 A 18 SER H A 18 SER HA 1.0 1.600 2.820 1127 848 A 62 LYS HG3 A 62 LYS H 1.0 1.956 4.868 1128 849 A 64 TYR H A 62 LYS H 1.0 1.998 5.756 1129 850 A 62 LYS HG2 A 62 LYS H 1.0 1.928 4.556 1130 851 A 3 SER HA A 3 SER H 1.0 1.767 3.505 1131 852 A 3 SER H A 1 MET HE% 1.0 1.996 5.614 1132 853 A 2 ALA HB% A 3 SER H 1.0 1.867 4.073 1133 854 A 3 SER HB3 A 3 SER H 1.0 1.842 3.908 1134 855 A 58 ASN H A 57 LEU HG 1.0 1.834 3.860 1135 856 A 57 LEU HA A 58 ASN H 1.0 1.951 4.799 1136 857 A 57 LEU HB3 A 58 ASN H 1.0 1.918 4.462 1137 858 A 10 ARG HBx A 10 ARG HE 1.0 1.944 4.720 1138 858 A 10 ARG HBy A 10 ARG HE 1.0 1.944 4.720 1139 859 A 58 ASN H A 58 ASN HA 1.0 1.810 3.724 1140 860 A 10 ARG HD2 A 10 ARG HE 1.0 1.854 3.984 1141 861 A 57 LEU HD1% A 58 ASN H 1.0 1.969 5.035 1142 862 A 58 ASN H A 58 ASN HB2 1.0 1.665 3.061 1143 863 A 56 TRP HB3 A 58 ASN H 1.0 1.973 5.099 1144 864 A 53 MET HE% A 10 ARG HE 1.0 1.974 5.116 1145 865 A 19 CYS HB2 A 19 CYS H 1.0 1.904 4.350 1146 866 A 19 CYS HB3 A 19 CYS H 1.0 1.855 3.989 1147 867 A 18 SER HBx A 19 CYS H 1.0 1.868 4.082 1148 867 A 18 SER HBy A 19 CYS H 1.0 1.868 4.082 1149 868 A 18 SER H A 19 CYS H 1.0 1.816 3.762 1150 869 A 68 GLN HE21 A 68 GLN HE22 1.0 1.512 2.538 1151 870 A 22 HIS HD2 A 22 HIS H 1.0 1.951 4.799 1152 871 A 21 ASP HBx A 22 HIS H 1.0 1.852 3.972 1153 871 A 21 ASP HBy A 22 HIS H 1.0 1.852 3.972 1154 872 A 22 HIS HB3 A 22 HIS H 1.0 1.812 3.732 1155 873 A 21 ASP H A 20 SER H 1.0 1.997 5.685 1156 874 A 20 SER H A 20 SER HB2 1.0 1.792 3.626 1157 875 A 19 CYS HB3 A 20 SER H 1.0 1.920 4.480 1158 876 A 20 SER H A 19 CYS HA 1.0 1.848 3.950 1159 877 A 27 LYS H A 26 TYR H 1.0 1.859 4.015 1160 878 A 26 TYR H A 24 GLU HG3 1.0 1.957 4.867 1161 879 A 24 GLU HB2 A 26 TYR H 1.0 1.806 3.700 1162 880 A 26 TYR HD2 A 26 TYR H 1.0 1.771 3.521 1163 880 A 26 TYR HD1 A 26 TYR H 1.0 1.771 3.521 1164 881 A 26 TYR H A 25 MET HB3 1.0 1.813 3.741 1165 882 A 26 TYR HB2 A 26 TYR H 1.0 1.738 3.368 1166 883 A 27 LYS HB2 A 26 TYR H 1.0 1.938 4.650 1167 884 A 26 TYR HA A 26 TYR H 1.0 1.804 3.696 1168 885 A 25 MET HA A 26 TYR H 1.0 1.946 4.740 1169 886 A 26 TYR HE2 A 26 TYR H 1.0 1.996 5.634 1170 886 A 26 TYR HE1 A 26 TYR H 1.0 1.996 5.634 1171 887 A 60 ALA HA A 61 LYS H 1.0 1.937 4.639 1172 888 A 61 LYS HA A 61 LYS H 1.0 1.786 3.596 1173 889 A 61 LYS HG2 A 61 LYS H 1.0 1.721 3.293 1174 890 A 63 HIS HD2 A 61 LYS H 1.0 1.994 5.582 1175 891 A 60 ALA HB% A 61 LYS H 1.0 1.802 3.682 1176 892 A 14 ILE HG2% A 17 SER H 1.0 1.973 5.087 1177 893 A 17 SER H A 17 SER HA 1.0 1.752 3.430 1178 894 A 14 ILE HA A 17 SER H 1.0 1.871 4.101 1179 895 A 17 SER HB2 A 17 SER H 1.0 1.822 3.796 1180 896 A 18 SER H A 17 SER H 1.0 1.765 3.493 1181 897 A 17 SER HB3 A 17 SER H 1.0 1.800 3.670 1182 898 A 15 LEU HBx A 17 SER H 1.0 1.981 5.241 1183 898 A 15 LEU HBy A 17 SER H 1.0 1.981 5.241 1184 899 A 16 PHE H A 17 SER H 1.0 1.799 3.667 1185 900 A 16 PHE HBx A 17 SER H 1.0 1.868 4.072 1186 900 A 16 PHE HBy A 17 SER H 1.0 1.868 4.072 1187 901 A 63 HIS H A 60 ALA HB% 1.0 1.994 5.576 1188 902 A 63 HIS H A 62 LYS HB2 1.0 1.786 3.594 1189 903 A 63 HIS H A 62 LYS HG3 1.0 1.936 4.638 1190 904 A 63 HIS H A 62 LYS H 1.0 1.711 3.245 1191 905 A 63 HIS H A 63 HIS HA 1.0 1.860 4.020 1192 906 A 63 HIS H A 63 HIS HBx 1.0 1.791 3.623 1193 906 A 63 HIS H A 63 HIS HBy 1.0 1.791 3.623 1194 907 A 49 ASN HB2 A 49 ASN HD22 1.0 1.974 5.110 1195 908 A 49 ASN HD22 A 49 ASN HD21 1.0 1.393 2.199 1196 909 A 49 ASN HB2 A 49 ASN HD21 1.0 1.847 3.939 1197 910 A 40 THR HG2% A 40 THR H 1.0 1.731 3.333 1198 911 A 40 THR H A 40 THR HA 1.0 1.828 3.828 1199 912 A 43 GLU HB2 A 40 THR H 1.0 1.728 3.322 1200 913 A 39 LEU HD1% A 40 THR H 1.0 1.959 4.905 1201 914 A 39 LEU HB3 A 40 THR H 1.0 1.919 4.469 1202 915 A 43 GLU HB3 A 40 THR H 1.0 1.857 4.001 1203 916 A 40 THR H A 40 THR HB 1.0 1.903 4.333 1204 917 A 40 THR H A 43 GLU H 1.0 1.956 4.854 1205 918 A 41 ASN HD21 A 41 ASN HD22 1.0 1.505 2.515 1206 919 A 41 ASN HBx A 41 ASN HD22 1.0 1.906 4.356 1207 919 A 41 ASN HBy A 41 ASN HD22 1.0 1.906 4.356 1208 920 A 50 ASP H A 49 ASN H 1.0 1.659 3.039 1209 921 A 49 ASN HB2 A 49 ASN H 1.0 1.698 3.192 1210 922 A 48 PRO HB3 A 49 ASN H 1.0 1.851 3.965 1211 923 A 48 PRO HB2 A 49 ASN H 1.0 1.883 4.181 1212 924 A 41 ASN HBx A 41 ASN HD21 1.0 1.808 3.710 1213 924 A 41 ASN HBy A 41 ASN HD21 1.0 1.808 3.710 1214 925 A 49 ASN H A 49 ASN HD22 1.0 1.925 4.525 1215 926 A 33 ASN HD22 A 34 SER HA 1.0 1.996 5.652 1216 927 A 33 ASN HD22 A 33 ASN HD21 1.0 1.448 2.350 1217 928 A 34 SER HA A 33 ASN HD21 1.0 1.994 5.590 1218 929 A 33 ASN HB3 A 33 ASN HD21 1.0 1.796 3.648 1219 930 A 33 ASN HA A 33 ASN HD21 1.0 1.911 4.405 1220 931 A 33 ASN HA A 33 ASN HD22 1.0 1.976 5.158 1221 932 A 30 GLU HG3 A 33 ASN HD21 1.0 1.991 5.455 1222 933 A 58 ASN HD22 A 58 ASN HD21 1.0 1.409 2.241 1223 934 A 58 ASN HD22 A 58 ASN HB3 1.0 1.869 4.085 1224 935 A 58 ASN HD21 A 58 ASN HB3 1.0 1.828 3.826 1225 936 A 52 ASN HD22 A 52 ASN HD21 1.0 1.533 2.601 1226 937 A 52 ASN HB2 A 52 ASN HD22 1.0 1.934 4.612 1227 938 A 52 ASN HB3 A 52 ASN HD22 1.0 1.944 4.714 1228 939 A 52 ASN HB3 A 52 ASN HD21 1.0 1.865 4.053 1229 940 A 52 ASN HA A 52 ASN HD21 1.0 1.993 5.541 1230 941 A 52 ASN HB2 A 52 ASN HD21 1.0 1.886 4.204 1231 942 A 33 ASN HB3 A 36 GLY H 1.0 1.963 4.955 1232 943 A 37 ILE H A 36 GLY H 1.0 1.819 3.775 1233 944 A 36 GLY HA2 A 36 GLY H 1.0 1.674 3.096 1234 945 A 34 SER HA A 36 GLY H 1.0 1.960 4.914 1235 946 A 35 PHE H A 36 GLY H 1.0 1.776 3.550 1236 947 A 33 ASN HA A 36 GLY H 1.0 1.923 4.515 1237 948 A 63 HIS HE1 A 59 PHE HZ 1.0 1.951 4.795 1238 948 A 63 HIS HE1 A 59 PHE HE2 1.0 1.951 4.795 1239 948 A 63 HIS HE1 A 59 PHE HE1 1.0 1.951 4.795 1240 949 A 63 HIS HD2 A 62 LYS HA 1.0 1.984 5.312 1241 949 A 37 ILE HA A 63 HIS HD2 1.0 1.984 5.312 1242 950 A 66 TYR HD2 A 69 PRO HG3 1.0 1.993 5.527 1243 950 A 66 TYR HD1 A 69 PRO HG3 1.0 1.993 5.527 1244 950 A 66 TYR HD2 A 61 LYS HBx 1.0 1.993 5.527 1245 950 A 66 TYR HD1 A 61 LYS HBx 1.0 1.993 5.527 1246 951 A 66 TYR HE1 A 61 LYS HA 1.0 1.687 3.145 1247 951 A 66 TYR HE2 A 61 LYS HA 1.0 1.687 3.145 1248 951 A 64 TYR HE2 A 61 LYS HA 1.0 1.687 3.145 1249 951 A 64 TYR HE1 A 61 LYS HA 1.0 1.687 3.145 1250 952 A 66 TYR HE1 A 61 LYS HE2 1.0 1.884 4.188 1251 952 A 64 TYR HE2 A 60 ALA HA 1.0 1.884 4.188 1252 952 A 66 TYR HE2 A 61 LYS HE2 1.0 1.884 4.188 1253 952 A 64 TYR HE1 A 61 LYS HE2 1.0 1.884 4.188 1254 952 A 64 TYR HE2 A 61 LYS HE2 1.0 1.884 4.188 1255 952 A 64 TYR HE1 A 60 ALA HA 1.0 1.884 4.188 1256 953 A 9 PHE HD1 A 35 PHE HZ 1.0 1.853 3.979 1257 953 A 35 PHE HE1 A 9 PHE HD1 1.0 1.853 3.979 1258 953 A 35 PHE HE2 A 9 PHE HD1 1.0 1.853 3.979 1259 953 A 35 PHE HE1 A 9 PHE HD2 1.0 1.853 3.979 1260 953 A 9 PHE HD2 A 35 PHE HZ 1.0 1.853 3.979 1261 953 A 35 PHE HE2 A 9 PHE HD2 1.0 1.853 3.979 1262 954 A 9 PHE HD1 A 61 LYS HA 1.0 1.995 5.603 1263 954 A 9 PHE HD2 A 61 LYS HA 1.0 1.995 5.603 1264 954 A 9 PHE HD2 A 3 SER HA 1.0 1.995 5.603 1265 954 A 9 PHE HD1 A 3 SER HA 1.0 1.995 5.603 1266 955 A 9 PHE HD2 A 61 LYS HG2 1.0 1.964 4.970 1267 955 A 9 PHE HD1 A 61 LYS HG2 1.0 1.964 4.970 1268 955 A 9 PHE HD1 A 5 MET HE% 1.0 1.964 4.970 1269 955 A 9 PHE HD2 A 5 MET HE% 1.0 1.964 4.970 1270 956 A 9 PHE HE2 A 60 ALA HA 1.0 1.901 4.315 1271 956 A 9 PHE HE1 A 60 ALA HA 1.0 1.901 4.315 1272 956 A 9 PHE HE2 A 9 PHE HB3 1.0 1.901 4.315 1273 956 A 9 PHE HE1 A 9 PHE HB3 1.0 1.901 4.315 1274 957 A 28 PHE HD1 A 23 ILE HB 1.0 1.973 5.093 1275 957 A 28 PHE HD1 A 39 LEU HD1% 1.0 1.973 5.093 1276 957 A 28 PHE HD2 A 23 ILE HB 1.0 1.973 5.093 1277 957 A 28 PHE HD2 A 39 LEU HD1% 1.0 1.973 5.093 1278 958 A 28 PHE HD2 A 31 LEU HG 1.0 1.999 6.181 1279 958 A 28 PHE HD1 A 31 LEU HG 1.0 1.999 6.181 1280 958 A 28 PHE HD2 A 51 ILE HG13 1.0 1.999 6.181 1281 958 A 28 PHE HD1 A 51 ILE HG13 1.0 1.999 6.181 1282 959 A 28 PHE HE1 A 55 TYR HE2 1.0 1.931 4.575 1283 959 A 28 PHE HE1 A 56 TRP HH2 1.0 1.931 4.575 1284 959 A 28 PHE HE2 A 55 TYR HE2 1.0 1.931 4.575 1285 959 A 28 PHE HE1 A 55 TYR HE1 1.0 1.931 4.575 1286 959 A 28 PHE HE2 A 56 TRP HH2 1.0 1.931 4.575 1287 959 A 28 PHE HE2 A 55 TYR HE1 1.0 1.931 4.575 1288 960 A 13 PHE HD1 A 17 SER H 1.0 1.996 5.678 1289 960 A 56 TRP H A 13 PHE HD2 1.0 1.996 5.678 1290 960 A 56 TRP H A 13 PHE HD1 1.0 1.996 5.678 1291 960 A 13 PHE HD2 A 17 SER H 1.0 1.996 5.678 1292 961 A 59 PHE HD1 A 55 TYR HE2 1.0 1.774 3.536 1293 961 A 59 PHE HD1 A 55 TYR HE1 1.0 1.774 3.536 1294 961 A 59 PHE HD2 A 56 TRP HZ3 1.0 1.774 3.536 1295 961 A 59 PHE HD1 A 56 TRP HZ3 1.0 1.774 3.536 1296 961 A 59 PHE HD2 A 55 TYR HE1 1.0 1.774 3.536 1297 961 A 59 PHE HD2 A 55 TYR HE2 1.0 1.774 3.536 1298 962 A 59 PHE HE1 A 55 TYR HE1 1.0 1.870 4.092 1299 962 A 56 TRP HZ3 A 59 PHE HE1 1.0 1.870 4.092 1300 962 A 59 PHE HE1 A 55 TYR HE2 1.0 1.870 4.092 1301 962 A 59 PHE HE2 A 55 TYR HE1 1.0 1.870 4.092 1302 962 A 56 TRP HZ3 A 59 PHE HE2 1.0 1.870 4.092 1303 962 A 59 PHE HE2 A 55 TYR HE2 1.0 1.870 4.092 1304 963 A 59 PHE HE1 A 47 LEU HD2% 1.0 1.668 3.074 1305 963 A 59 PHE HE2 A 47 LEU HD2% 1.0 1.668 3.074 1306 963 A 59 PHE HE2 A 39 LEU HD1% 1.0 1.668 3.074 1307 963 A 59 PHE HE1 A 39 LEU HD1% 1.0 1.668 3.074 1308 964 A 51 ILE HD1% A 47 LEU HD2% 1.0 1.799 3.665 1309 964 A 51 ILE HD1% A 39 LEU HD1% 1.0 1.799 3.665 1310 965 A 73 ILE HD1% A 73 ILE HG13 1.0 1.581 2.757 1311 965 A 38 ILE HD1% A 38 ILE HG13 1.0 1.581 2.757 1312 966 A 37 ILE HD1% A 35 PHE HB2 1.0 1.685 3.139 1313 966 A 37 ILE HD1% A 37 ILE HA 1.0 1.685 3.139 1314 967 A 25 MET HE% A 25 MET HA 1.0 1.877 4.143 1315 967 A 25 MET HE% A 44 LYS HA 1.0 1.877 4.143 1316 968 A 51 ILE HG2% A 56 TRP HB3 1.0 1.899 4.307 1317 968 A 59 PHE HB2 A 51 ILE HG2% 1.0 1.899 4.307 1318 969 A 53 MET HE% A 10 ARG HG3 1.0 1.627 2.921 1319 969 A 53 MET HE% A 53 MET HB2 1.0 1.627 2.921 1320 970 A 35 PHE HE2 A 12 ALA HB% 1.0 1.536 2.610 1321 970 A 12 ALA HB% A 35 PHE HZ 1.0 1.536 2.610 1322 970 A 35 PHE HE1 A 12 ALA HB% 1.0 1.536 2.610 1323 971 A 59 PHE HE1 A 39 LEU HD2% 1.0 1.735 3.355 1324 971 A 39 LEU HD2% A 59 PHE HZ 1.0 1.735 3.355 1325 971 A 59 PHE HE2 A 39 LEU HD2% 1.0 1.735 3.355 1326 972 A 59 PHE HE2 A 39 LEU HD1% 1.0 1.681 3.123 1327 972 A 39 LEU HD1% A 59 PHE HZ 1.0 1.681 3.123 1328 972 A 39 LEU HD1% A 29 PHE HE2 1.0 1.681 3.123 1329 972 A 59 PHE HE1 A 39 LEU HD1% 1.0 1.681 3.123 1330 972 A 39 LEU HD1% A 29 PHE HE1 1.0 1.681 3.123 1331 973 A 57 LEU HD2% A 6 GLU HG2 1.0 1.751 3.425 1332 973 A 57 LEU HD2% A 53 MET HE% 1.0 1.751 3.425 1333 974 A 13 PHE HD2 A 31 LEU HD1% 1.0 1.879 4.157 1334 974 A 56 TRP HZ2 A 31 LEU HD1% 1.0 1.879 4.157 1335 974 A 13 PHE HD1 A 31 LEU HD1% 1.0 1.879 4.157 1336 975 A 27 LYS HG2 A 27 LYS HB3 1.0 1.490 2.470 1337 975 A 71 LYS HG2 A 71 LYS HB3 1.0 1.490 2.470 1338 975 A 71 LYS HG3 A 71 LYS HB3 1.0 1.490 2.470 1339 976 A 73 ILE HG12 A 73 ILE HG13 1.0 1.325 2.027 1340 976 A 48 PRO HG3 A 48 PRO HG2 1.0 1.325 2.027 1341 977 A 48 PRO HG3 A 48 PRO HG2 1.0 1.329 2.039 1342 977 A 38 ILE HG12 A 38 ILE HG13 1.0 1.329 2.039 1343 977 A 73 ILE HG12 A 73 ILE HG13 1.0 1.329 2.039 1344 978 A 73 ILE HD1% A 73 ILE HG13 1.0 1.435 2.313 1345 978 A 38 ILE HG13 A 38 ILE HG2% 1.0 1.435 2.313 1346 979 A 38 ILE HG12 A 38 ILE HD1% 1.0 1.412 2.250 1347 979 A 73 ILE HG12 A 73 ILE HD1% 1.0 1.412 2.250 1348 980 A 69 PRO HB3 A 69 PRO HG2 1.0 1.479 2.439 1349 980 A 69 PRO HB3 A 69 PRO HG3 1.0 1.479 2.439 1350 981 A 7 GLU HB3 A 7 GLU H 1.0 1.563 2.697 1351 981 A 7 GLU HB2 A 7 GLU H 1.0 1.563 2.697 1352 981 A 6 GLU HB2 A 7 GLU H 1.0 1.563 2.697 1353 981 A 6 GLU HB3 A 7 GLU H 1.0 1.563 2.697 1354 982 A 44 LYS HD2 A 44 LYS HE2 1.0 1.848 3.944 1355 982 A 44 LYS HD3 A 44 LYS HE2 1.0 1.848 3.944 1356 983 A 48 PRO HB2 A 48 PRO HA 1.0 1.562 2.694 1357 983 A 1 MET HBx A 1 MET HA 1.0 1.562 2.694 1358 983 A 1 MET HBy A 1 MET HA 1.0 1.562 2.694 1359 984 A 8 LYS HB2 A 8 LYS HDx 1.0 1.311 1.993 1360 984 A 8 LYS HB2 A 8 LYS HDy 1.0 1.311 1.993 1361 984 A 8 LYS HB2 A 8 LYS HG2 1.0 1.311 1.993 1362 985 A 71 LYS HB2 A 71 LYS HG2 1.0 1.590 2.788 1363 985 A 71 LYS HG2 A 71 LYS HB3 1.0 1.590 2.788 1364 986 A 71 LYS HA A 71 LYS HB2 1.0 1.792 3.624 1365 986 A 71 LYS HA A 71 LYS HB3 1.0 1.792 3.624 1366 987 A 68 GLN HB2 A 68 GLN HG3 1.0 1.597 2.813 1367 987 A 68 GLN HB2 A 68 GLN HG2 1.0 1.597 2.813 1368 988 A 68 GLN HB3 A 68 GLN HG2 1.0 1.581 2.755 1369 988 A 68 GLN HB3 A 68 GLN HG3 1.0 1.581 2.755 1370 989 A 70 PHE HB2 A 70 PHE HA 1.0 1.670 3.078 1371 989 A 70 PHE HB3 A 70 PHE HA 1.0 1.670 3.078 1372 990 A 38 ILE HB A 38 ILE HG2% 1.0 1.415 2.259 1373 990 A 38 ILE HD1% A 38 ILE HB 1.0 1.415 2.259 1374 991 A 38 ILE HB A 39 LEU H 1.0 1.691 3.165 1375 991 A 38 ILE H A 38 ILE HB 1.0 1.691 3.165 1376 992 A 52 ASN HB3 A 55 TYR H 1.0 1.675 3.103 1377 992 A 52 ASN HB3 A 53 MET H 1.0 1.675 3.103 1378 993 A 69 PRO HD2 A 69 PRO HG2 1.0 1.566 2.708 1379 993 A 69 PRO HD2 A 69 PRO HG3 1.0 1.566 2.708 1380 994 A 39 LEU HA A 39 LEU HG 1.0 1.670 3.084 1381 994 A 39 LEU HA A 39 LEU HB2 1.0 1.670 3.084 1382 995 A 71 LYS HA A 71 LYS HB3 1.0 1.398 2.212 1383 995 A 61 LYS HG2 A 58 ASN HA 1.0 1.398 2.212 1384 996 A 70 PHE HB2 A 70 PHE HA 1.0 1.471 2.415 1385 996 A 72 HIS HA A 72 HIS HB3 1.0 1.471 2.415 1386 997 A 20 SER HA A 20 SER HB2 1.0 1.615 2.877 1387 997 A 20 SER HA A 20 SER HB3 1.0 1.615 2.877 1388 998 A 15 LEU HD1% A 15 LEU HA 1.0 1.574 2.732 1389 998 A 57 LEU HD1% A 54 ASP HA 1.0 1.574 2.732 1390 999 A 57 LEU HA A 57 LEU HG 1.0 1.685 3.143 1391 999 A 57 LEU HA A 57 LEU HB2 1.0 1.685 3.143 1392 1000 A 9 PHE HA A 35 PHE HZ 1.0 1.762 3.480 1393 1000 A 35 PHE HE2 A 9 PHE HA 1.0 1.762 3.480 1394 1000 A 35 PHE HE1 A 9 PHE HA 1.0 1.762 3.480 1395 1001 A 25 MET HG3 A 25 MET HA 1.0 1.601 2.827 1396 1001 A 25 MET HA A 25 MET HB2 1.0 1.601 2.827 1397 1002 A 30 GLU HA A 30 GLU HBx 1.0 1.352 2.094 1398 1002 A 11 GLU HB3 A 11 GLU HA 1.0 1.352 2.094 1399 1003 A 39 LEU HD1% A 44 LYS HA 1.0 1.699 3.195 1400 1003 A 47 LEU HD2% A 44 LYS HA 1.0 1.699 3.195 1401 1004 A 56 TRP HE1 A 10 ARG H 1.0 1.997 5.669 1402 1004 A 56 TRP HE1 A 9 PHE H 1.0 1.997 5.669 1403 1005 A 27 LYS HB2 A 24 GLU H 1.0 1.672 3.090 1404 1005 A 24 GLU H A 24 GLU HB3 1.0 1.672 3.090 1405 1006 A 51 ILE H A 49 ASN HA 1.0 1.998 5.722 1406 1006 A 51 ILE H A 48 PRO HA 1.0 1.998 5.722 1407 1007 A 70 PHE H A 71 LYS H 1.0 1.923 4.505 1408 1007 A 71 LYS H A 72 HIS H 1.0 1.923 4.505 1409 1008 A 62 LYS HB2 A 64 TYR H 1.0 1.982 5.262 1410 1008 A 64 TYR H A 61 LYS HG3 1.0 1.982 5.262 1411 1009 A 26 TYR HB2 A 27 LYS H 1.0 1.885 4.193 1412 1009 A 28 PHE HB2 A 27 LYS H 1.0 1.885 4.193 1413 1010 A 41 ASN H A 43 GLU H 1.0 1.940 4.674 1414 1010 A 40 THR H A 43 GLU H 1.0 1.940 4.674 1415 1011 A 43 GLU HA A 43 GLU H 1.0 1.626 2.914 1416 1011 A 37 ILE HA A 37 ILE H 1.0 1.626 2.914 1417 1011 A 35 PHE HB2 A 37 ILE H 1.0 1.626 2.914 1418 1012 A 72 HIS H A 72 HIS HB2 1.0 1.665 3.063 1419 1012 A 70 PHE HB2 A 70 PHE H 1.0 1.665 3.063 1420 1013 A 72 HIS HA A 72 HIS H 1.0 1.625 2.913 1421 1013 A 70 PHE H A 70 PHE HA 1.0 1.625 2.913 1422 1014 A 21 ASP H A 20 SER HB2 1.0 1.806 3.700 1423 1014 A 21 ASP H A 20 SER HB3 1.0 1.806 3.700 1424 1015 A 42 ASP H A 42 ASP HB2 1.0 1.730 3.334 1425 1015 A 21 ASP HBx A 21 ASP H 1.0 1.730 3.334 1426 1015 A 21 ASP HBy A 21 ASP H 1.0 1.730 3.334 1427 1016 A 35 PHE HE1 A 12 ALA H 1.0 1.829 3.835 1428 1016 A 12 ALA H A 35 PHE HZ 1.0 1.829 3.835 1429 1016 A 35 PHE HE2 A 12 ALA H 1.0 1.829 3.835 1430 1016 A 70 PHE H A 70 PHE HE2 1.0 1.829 3.835 1431 1016 A 70 PHE H A 70 PHE HE1 1.0 1.829 3.835 1432 1017 A 52 ASN H A 53 MET H 1.0 1.882 4.178 1433 1017 A 56 TRP H A 58 ASN H 1.0 1.882 4.178 1434 1017 A 56 TRP H A 52 ASN H 1.0 1.882 4.178 1435 1018 A 56 TRP H A 13 PHE HE2 1.0 1.749 3.419 1436 1018 A 56 TRP H A 13 PHE HE1 1.0 1.749 3.419 1437 1018 A 13 PHE HE2 A 53 MET H 1.0 1.749 3.419 1438 1018 A 13 PHE HE1 A 53 MET H 1.0 1.749 3.419 1439 1019 A 41 ASN H A 44 LYS H 1.0 1.983 5.289 1440 1019 A 44 LYS H A 40 THR H 1.0 1.983 5.289 1441 1020 A 44 LYS H A 45 ALA H 1.0 1.645 2.985 1442 1020 A 44 LYS H A 43 GLU H 1.0 1.645 2.985 1443 1021 A 56 TRP H A 54 ASP HBx 1.0 1.958 4.884 1444 1021 A 56 TRP H A 54 ASP HBy 1.0 1.958 4.884 1445 1021 A 53 MET H A 54 ASP HBx 1.0 1.958 4.884 1446 1021 A 53 MET H A 54 ASP HBy 1.0 1.958 4.884 1447 1022 A 56 TRP H A 53 MET HA 1.0 1.758 3.460 1448 1022 A 53 MET HA A 53 MET H 1.0 1.758 3.460 1449 1023 A 8 LYS H A 8 LYS HDx 1.0 1.739 3.369 1450 1023 A 8 LYS H A 8 LYS HDy 1.0 1.739 3.369 1451 1023 A 8 LYS H A 8 LYS HG2 1.0 1.739 3.369 1452 1024 A 35 PHE H A 36 GLY H 1.0 1.723 3.297 1453 1024 A 34 SER H A 35 PHE H 1.0 1.723 3.297 1454 1025 A 33 ASN HB3 A 34 SER H 1.0 1.837 3.875 1455 1025 A 31 LEU HA A 34 SER H 1.0 1.837 3.875 1456 1026 A 35 PHE HB2 A 34 SER H 1.0 1.836 3.870 1457 1026 A 30 GLU HA A 34 SER H 1.0 1.836 3.870 1458 1027 A 57 LEU H A 54 ASP HBy 1.0 1.940 4.678 1459 1027 A 57 LEU H A 58 ASN HB3 1.0 1.940 4.678 1460 1027 A 57 LEU H A 54 ASP HBx 1.0 1.940 4.678 1461 1028 A 57 LEU H A 57 LEU HG 1.0 1.619 2.889 1462 1028 A 57 LEU H A 57 LEU HB2 1.0 1.619 2.889 1463 1029 A 16 PHE H A 16 PHE HA 1.0 1.750 3.424 1464 1029 A 15 LEU HA A 16 PHE H 1.0 1.750 3.424 1465 1030 A 29 PHE H A 28 PHE HB2 1.0 1.664 3.060 1466 1030 A 29 PHE H A 29 PHE HB3 1.0 1.664 3.060 1467 1031 A 29 PHE H A 25 MET HG3 1.0 1.979 5.191 1468 1031 A 29 PHE H A 25 MET HB2 1.0 1.979 5.191 1469 1032 A 58 ASN H A 61 LYS HE3 1.0 1.990 5.456 1470 1032 A 55 TYR HB3 A 58 ASN H 1.0 1.990 5.456 1471 1033 A 19 CYS H A 19 CYS HA 1.0 1.630 2.926 1472 1033 A 18 SER HA A 19 CYS H 1.0 1.630 2.926 1473 1034 A 21 ASP HA A 22 HIS H 1.0 1.812 3.736 1474 1034 A 22 HIS H A 20 SER HA 1.0 1.812 3.736 1475 1035 A 22 HIS H A 20 SER HB2 1.0 1.912 4.412 1476 1035 A 22 HIS H A 20 SER HB3 1.0 1.912 4.412 1477 1036 A 44 LYS H A 40 THR H 1.0 1.935 4.625 1478 1036 A 40 THR H A 39 LEU H 1.0 1.935 4.625 1479 1037 A 39 LEU HG A 40 THR H 1.0 1.792 3.628 1480 1037 A 40 THR H A 39 LEU HB2 1.0 1.792 3.628 1481 1038 A 74 ASN HD22 A 74 ASN HD21 1.0 1.432 2.304 1482 1038 A 65 ASN HD21 A 65 ASN HD22 1.0 1.432 2.304 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 1 MET C A 2 ALA N A 2 ALA CA A 2 ALA C 1.0 -68.0 -56.0 PHI 2 2 A 2 ALA C A 3 SER N A 3 SER CA A 3 SER C 1.0 -67.0 -61.0 PHI 3 3 A 3 SER C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -71.0 -61.0 PHI 4 4 A 4 ASP C A 5 MET N A 5 MET CA A 5 MET C 1.0 -67.0 -59.0 PHI 5 5 A 5 MET C A 6 GLU N A 6 GLU CA A 6 GLU C 1.0 -63.0 -57.0 PHI 6 6 A 6 GLU C A 7 GLU N A 7 GLU CA A 7 GLU C 1.0 -69.0 -57.0 PHI 7 7 A 7 GLU C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -66.0 -58.0 PHI 8 8 A 8 LYS C A 9 PHE N A 9 PHE CA A 9 PHE C 1.0 -79.0 -57.0 PHI 9 9 A 9 PHE C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -64.0 -58.0 PHI 10 10 A 10 ARG C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -68.0 -58.0 PHI 11 11 A 11 GLU C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -74.0 -60.0 PHI 12 12 A 12 ALA C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -70.0 -58.0 PHI 13 13 A 13 PHE C A 14 ILE N A 14 ILE CA A 14 ILE C 1.0 -70.0 -60.0 PHI 14 14 A 14 ILE C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -67.0 -57.0 PHI 15 15 A 15 LEU C A 16 PHE N A 16 PHE CA A 16 PHE C 1.0 -76.0 -58.0 PHI 16 16 A 16 PHE C A 17 SER N A 17 SER CA A 17 SER C 1.0 -107.0 -81.0 PHI 17 17 A 20 SER C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -104.0 -78.0 PHI 18 18 A 21 ASP C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -155.0 -93.0 PHI 19 19 A 22 HIS C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -139.0 -103.0 PHI 20 20 A 23 ILE C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -90.0 -56.0 PHI 21 21 A 24 GLU C A 25 MET N A 25 MET CA A 25 MET C 1.0 -65.0 -53.0 PHI 22 22 A 25 MET C A 26 TYR N A 26 TYR CA A 26 TYR C 1.0 -76.0 -62.0 PHI 23 23 A 26 TYR C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -85.0 -61.0 PHI 24 24 A 27 LYS C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -79.0 -55.0 PHI 25 25 A 28 PHE C A 29 PHE N A 29 PHE CA A 29 PHE C 1.0 -68.0 -60.0 PHI 26 26 A 29 PHE C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -66.0 -56.0 PHI 27 27 A 30 GLU C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -70.0 -62.0 PHI 28 28 A 31 LEU C A 32 MET N A 32 MET CA A 32 MET C 1.0 -100.0 -66.0 PHI 29 29 A 32 MET C A 33 ASN N A 33 ASN CA A 33 ASN C 1.0 -67.0 -57.0 PHI 30 30 A 33 ASN C A 34 SER N A 34 SER CA A 34 SER C 1.0 -66.0 -58.0 PHI 31 31 A 34 SER C A 35 PHE N A 35 PHE CA A 35 PHE C 1.0 -97.0 -81.0 PHI 32 32 A 35 PHE C A 36 GLY N A 36 GLY CA A 36 GLY C 1.0 70.0 104.0 PHI 33 33 A 36 GLY C A 37 ILE N A 37 ILE CA A 37 ILE C 1.0 -104.0 -64.0 PHI 34 34 A 37 ILE C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -127.0 -97.0 PHI 35 35 A 38 ILE C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -135.0 -97.0 PHI 36 36 A 39 LEU C A 40 THR N A 40 THR CA A 40 THR C 1.0 -90.0 -74.0 PHI 37 37 A 40 THR C A 41 ASN N A 41 ASN CA A 41 ASN C 1.0 -63.0 -53.0 PHI 38 38 A 41 ASN C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -68.0 -60.0 PHI 39 39 A 42 ASP C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -70.0 -58.0 PHI 40 40 A 43 GLU C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -67.0 -57.0 PHI 41 41 A 44 LYS C A 45 ALA N A 45 ALA CA A 45 ALA C 1.0 -73.0 -61.0 PHI 42 42 A 45 ALA C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -111.0 -87.0 PHI 43 43 A 46 ALA C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -88.0 -60.0 PHI 44 44 A 47 LEU C A 48 PRO N A 48 PRO CA A 48 PRO C 1.0 -75.0 -59.0 PHI 45 45 A 48 PRO C A 49 ASN N A 49 ASN CA A 49 ASN C 1.0 -100.0 -64.0 PHI 46 46 A 49 ASN C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -148.0 -80.0 PHI 47 47 A 50 ASP C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -103.0 -67.0 PHI 48 48 A 51 ILE C A 52 ASN N A 52 ASN CA A 52 ASN C 1.0 -129.0 -85.0 PHI 49 49 A 52 ASN C A 53 MET N A 53 MET CA A 53 MET C 1.0 -65.0 -57.0 PHI 50 50 A 53 MET C A 54 ASP N A 54 ASP CA A 54 ASP C 1.0 -66.0 -54.0 PHI 51 51 A 54 ASP C A 55 TYR N A 55 TYR CA A 55 TYR C 1.0 -75.0 -65.0 PHI 52 52 A 55 TYR C A 56 TRP N A 56 TRP CA A 56 TRP C 1.0 -70.0 -58.0 PHI 53 53 A 56 TRP C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -67.0 -59.0 PHI 54 54 A 57 LEU C A 58 ASN N A 58 ASN CA A 58 ASN C 1.0 -66.0 -56.0 PHI 55 55 A 58 ASN C A 59 PHE N A 59 PHE CA A 59 PHE C 1.0 -70.0 -62.0 PHI 56 56 A 59 PHE C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -68.0 -60.0 PHI 57 57 A 60 ALA C A 61 LYS N A 61 LYS CA A 61 LYS C 1.0 -70.0 -62.0 PHI 58 58 A 61 LYS C A 62 LYS N A 62 LYS CA A 62 LYS C 1.0 -81.0 -65.0 PHI 59 59 A 62 LYS C A 63 HIS N A 63 HIS CA A 63 HIS C 1.0 -76.0 -48.0 PHI 60 60 A 2 ALA N A 2 ALA CA A 2 ALA C A 3 SER N 1.0 -46.0 -34.0 PSI 61 61 A 3 SER N A 3 SER CA A 3 SER C A 4 ASP N 1.0 -48.0 -32.0 PSI 62 62 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 MET N 1.0 -49.0 -31.0 PSI 63 63 A 5 MET N A 5 MET CA A 5 MET C A 6 GLU N 1.0 -54.0 -36.0 PSI 64 64 A 6 GLU N A 6 GLU CA A 6 GLU C A 7 GLU N 1.0 -53.0 -39.0 PSI 65 65 A 7 GLU N A 7 GLU CA A 7 GLU C A 8 LYS N 1.0 -49.0 -39.0 PSI 66 66 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 PHE N 1.0 -48.0 -24.0 PSI 67 67 A 9 PHE N A 9 PHE CA A 9 PHE C A 10 ARG N 1.0 -57.0 -23.0 PSI 68 68 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 GLU N 1.0 -46.0 -38.0 PSI 69 69 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 ALA N 1.0 -42.0 -36.0 PSI 70 70 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 PHE N 1.0 -49.0 -35.0 PSI 71 71 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 ILE N 1.0 -50.0 -40.0 PSI 72 72 A 14 ILE N A 14 ILE CA A 14 ILE C A 15 LEU N 1.0 -47.0 -37.0 PSI 73 73 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 PHE N 1.0 -47.0 -39.0 PSI 74 74 A 16 PHE N A 16 PHE CA A 16 PHE C A 17 SER N 1.0 -43.0 -21.0 PSI 75 75 A 17 SER N A 17 SER CA A 17 SER C A 18 SER N 1.0 -17.0 9.0 PSI 76 76 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 HIS N 1.0 -40.0 6.0 PSI 77 77 A 22 HIS N A 22 HIS CA A 22 HIS C A 23 ILE N 1.0 130.0 162.0 PSI 78 78 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 GLU N 1.0 128.0 140.0 PSI 79 79 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 MET N 1.0 114.0 166.0 PSI 80 80 A 25 MET N A 25 MET CA A 25 MET C A 26 TYR N 1.0 -46.0 -30.0 PSI 81 81 A 26 TYR N A 26 TYR CA A 26 TYR C A 27 LYS N 1.0 -49.0 -11.0 PSI 82 82 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 PHE N 1.0 -45.0 1.0 PSI 83 83 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 PHE N 1.0 -44.0 -18.0 PSI 84 84 A 29 PHE N A 29 PHE CA A 29 PHE C A 30 GLU N 1.0 -45.0 -33.0 PSI 85 85 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 LEU N 1.0 -46.0 -34.0 PSI 86 86 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 MET N 1.0 -38.0 -16.0 PSI 87 87 A 32 MET N A 32 MET CA A 32 MET C A 33 ASN N 1.0 -29.0 9.0 PSI 88 88 A 33 ASN N A 33 ASN CA A 33 ASN C A 34 SER N 1.0 -47.0 -27.0 PSI 89 89 A 34 SER N A 34 SER CA A 34 SER C A 35 PHE N 1.0 -41.0 -25.0 PSI 90 90 A 35 PHE N A 35 PHE CA A 35 PHE C A 36 GLY N 1.0 -9.0 15.0 PSI 91 91 A 36 GLY N A 36 GLY CA A 36 GLY C A 37 ILE N 1.0 8.0 24.0 PSI 92 92 A 37 ILE N A 37 ILE CA A 37 ILE C A 38 ILE N 1.0 127.0 145.0 PSI 93 93 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 LEU N 1.0 116.0 150.0 PSI 94 94 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 THR N 1.0 121.0 159.0 PSI 95 95 A 40 THR N A 40 THR CA A 40 THR C A 41 ASN N 1.0 163.0 173.0 PSI 96 96 A 41 ASN N A 41 ASN CA A 41 ASN C A 42 ASP N 1.0 -47.0 -33.0 PSI 97 97 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 GLU N 1.0 -46.0 -38.0 PSI 98 98 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 LYS N 1.0 -51.0 -39.0 PSI 99 99 A 44 LYS N A 44 LYS CA A 44 LYS C A 45 ALA N 1.0 -48.0 -34.0 PSI 100 100 A 45 ALA N A 45 ALA CA A 45 ALA C A 46 ALA N 1.0 -28.0 -16.0 PSI 101 101 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 LEU N 1.0 -19.0 15.0 PSI 102 102 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 PRO N 1.0 125.0 153.0 PSI 103 103 A 48 PRO N A 48 PRO CA A 48 PRO C A 49 ASN N 1.0 120.0 168.0 PSI 104 104 A 49 ASN N A 49 ASN CA A 49 ASN C A 50 ASP N 1.0 -35.0 -15.0 PSI 105 105 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 ILE N 1.0 120.0 166.0 PSI 106 106 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 ASN N 1.0 117.0 141.0 PSI 107 107 A 52 ASN N A 52 ASN CA A 52 ASN C A 53 MET N 1.0 116.0 186.0 PSI 108 108 A 53 MET N A 53 MET CA A 53 MET C A 54 ASP N 1.0 -44.0 -28.0 PSI 109 109 A 54 ASP N A 54 ASP CA A 54 ASP C A 55 TYR N 1.0 -49.0 -35.0 PSI 110 110 A 55 TYR N A 55 TYR CA A 55 TYR C A 56 TRP N 1.0 -42.0 -14.0 PSI 111 111 A 56 TRP N A 56 TRP CA A 56 TRP C A 57 LEU N 1.0 -47.0 -35.0 PSI 112 112 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 ASN N 1.0 -48.0 -30.0 PSI 113 113 A 58 ASN N A 58 ASN CA A 58 ASN C A 59 PHE N 1.0 -49.0 -37.0 PSI 114 114 A 59 PHE N A 59 PHE CA A 59 PHE C A 60 ALA N 1.0 -45.0 -37.0 PSI 115 115 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 LYS N 1.0 -42.0 -30.0 PSI 116 116 A 61 LYS N A 61 LYS CA A 61 LYS C A 62 LYS N 1.0 -40.0 -24.0 PSI 117 117 A 62 LYS N A 62 LYS CA A 62 LYS C A 63 HIS N 1.0 -49.0 -21.0 PSI 118 118 A 63 HIS N A 63 HIS CA A 63 HIS C A 64 TYR N 1.0 -52.0 -32.0 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 Hz . . 10403 . . . . 2 Hz . . 2595 . folded . . 3 Hz . . 10403 . . . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 Hz . . 10403 . . . . 2 Hz . . 14085 . . . . 3 Hz . . 10403 . . . . stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 Hz . . 10403 . . . . 2 Hz . . 6037 . . . . 3 Hz . . 10403 . . . . stop_ save_