data_nef_c34006_5l82 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5L82 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 LYS middle . . 3 A 3 PHE middle . . 4 A 4 LYS middle . . 5 A 5 PHE middle . . 6 A 6 ASN middle . . 7 A 7 PRO middle . false 8 A 8 THR middle . . 9 A 9 GLY middle . false 10 A 10 THR middle . . 11 A 11 ILE middle . . 12 A 12 VAL middle . . 13 A 13 LYS middle . . 14 A 14 LYS middle . . 15 A 15 LEU middle . . 16 A 16 THR middle . . 17 A 17 GLN middle . . 18 A 18 TYR middle . . 19 A 19 GLU middle . . 20 A 20 ILE middle . . 21 A 21 ALA middle . . 22 A 22 TRP middle . . 23 A 23 PHE middle . . 24 A 24 LYS middle . . 25 A 25 ASN middle . . 26 A 26 LYS middle . . 27 A 27 HIS middle . . 28 A 28 GLY middle . false 29 A 29 TYR middle . . 30 A 30 TYR middle . . 31 A 31 PRO middle . false 32 A 32 TRP middle . . 33 A 33 GLU middle . . 34 A 34 ILE middle . . 35 A 35 PRO middle . false 36 A 36 ARG middle . . 37 A 37 CYS 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 4.155 0.01 A 1 MET HB2 H 1 2.149 0.01 A 1 MET HB3 H 1 2.149 0.01 A 1 MET HE% H 1 2.121 0.01 A 1 MET HG2 H 1 2.515 0.01 A 1 MET HG3 H 1 2.570 0.01 A 1 MET CA C 13 59.332 0.03 A 1 MET CB C 13 32.522 0.03 A 1 MET CE C 13 16.164 0.03 A 1 MET CG C 13 30.741 0.03 A 2 LYS H H 1 8.506 0.01 A 2 LYS HA H 1 4.405 0.01 A 2 LYS HB2 H 1 1.721 0.01 A 2 LYS HB3 H 1 1.774 0.01 A 2 LYS HD2 H 1 1.716 0.01 A 2 LYS HD3 H 1 1.716 0.01 A 2 LYS HE2 H 1 3.014 0.01 A 2 LYS HE3 H 1 3.014 0.01 A 2 LYS HG2 H 1 1.445 0.01 A 2 LYS HG3 H 1 1.385 0.01 A 2 LYS CA C 13 56.248 0.03 A 2 LYS CB C 13 33.334 0.03 A 2 LYS CD C 13 28.761 0.03 A 2 LYS CE C 13 42.039 0.03 A 2 LYS CG C 13 24.424 0.03 A 2 LYS N N 15 123.484 0.03 A 3 PHE H H 1 8.051 0.01 A 3 PHE HA H 1 4.651 0.01 A 3 PHE HB2 H 1 3.119 0.01 A 3 PHE HB3 H 1 2.998 0.01 A 3 PHE HD1 H 1 7.254 0.01 A 3 PHE HD2 H 1 7.254 0.01 A 3 PHE HE1 H 1 7.299 0.01 A 3 PHE HE2 H 1 7.299 0.01 A 3 PHE CB C 13 39.789 0.03 A 3 PHE CD1 C 13 131.594 0.03 A 3 PHE CD2 C 13 131.594 0.03 A 3 PHE N N 15 119.628 0.03 A 4 LYS H H 1 8.001 0.01 A 4 LYS HA H 1 4.338 0.01 A 4 LYS HB2 H 1 1.788 0.01 A 4 LYS HB3 H 1 1.708 0.01 A 4 LYS HD2 H 1 1.708 0.01 A 4 LYS HD3 H 1 1.708 0.01 A 4 LYS HE2 H 1 3.024 0.01 A 4 LYS HE3 H 1 3.024 0.01 A 4 LYS HG2 H 1 1.360 0.01 A 4 LYS HG3 H 1 1.408 0.01 A 4 LYS CA C 13 55.958 0.03 A 4 LYS CB C 13 33.266 0.03 A 4 LYS CD C 13 28.944 0.03 A 4 LYS CE C 13 41.962 0.03 A 4 LYS CG C 13 24.404 0.03 A 4 LYS N N 15 122.270 0.03 A 5 PHE H H 1 7.880 0.01 A 5 PHE HA H 1 4.608 0.01 A 5 PHE HB2 H 1 3.062 0.01 A 5 PHE HB3 H 1 3.062 0.01 A 5 PHE HD1 H 1 7.247 0.01 A 5 PHE HD2 H 1 7.247 0.01 A 5 PHE HE1 H 1 7.347 0.01 A 5 PHE HE2 H 1 7.347 0.01 A 5 PHE CB C 13 39.809 0.03 A 5 PHE CD1 C 13 131.594 0.03 A 5 PHE CD2 C 13 131.594 0.03 A 5 PHE CE1 C 13 129.551 0.03 A 5 PHE CE2 C 13 129.551 0.03 A 5 PHE N N 15 120.790 0.03 A 6 ASN H H 1 8.099 0.01 A 6 ASN HA H 1 4.990 0.01 A 6 ASN HB2 H 1 2.710 0.01 A 6 ASN HB3 H 1 2.993 0.01 A 6 ASN HD21 H 1 7.622 0.01 A 6 ASN HD22 H 1 6.826 0.01 A 6 ASN CA C 13 50.119 0.03 A 6 ASN CB C 13 38.981 0.03 A 6 ASN N N 15 121.225 0.03 A 6 ASN ND2 N 15 110.973 0.03 A 7 PRO HA H 1 4.434 0.01 A 7 PRO HB2 H 1 2.254 0.01 A 7 PRO HB3 H 1 2.134 0.01 A 7 PRO HD2 H 1 3.808 0.01 A 7 PRO HD3 H 1 3.533 0.01 A 7 PRO HG2 H 1 1.986 0.01 A 7 PRO HG3 H 1 1.986 0.01 A 7 PRO CA C 13 64.136 0.03 A 7 PRO CB C 13 31.535 0.03 A 7 PRO CD C 13 50.245 0.03 A 7 PRO CG C 13 26.211 0.03 A 8 THR H H 1 8.007 0.01 A 8 THR HA H 1 3.961 0.01 A 8 THR HB H 1 4.151 0.01 A 8 THR HG2% H 1 1.259 0.01 A 8 THR CA C 13 65.938 0.03 A 8 THR CB C 13 68.834 0.03 A 8 THR CG2 C 13 20.945 0.03 A 8 THR N N 15 113.523 0.03 A 9 GLY H H 1 8.211 0.01 A 9 GLY HA2 H 1 3.839 0.01 A 9 GLY HA3 H 1 3.892 0.01 A 9 GLY CA C 13 46.893 0.03 A 9 GLY N N 15 107.141 0.03 A 10 THR H H 1 7.808 0.01 A 10 THR HA H 1 4.049 0.01 A 10 THR HB H 1 4.339 0.01 A 10 THR HG2% H 1 1.340 0.01 A 10 THR CA C 13 66.134 0.03 A 10 THR CB C 13 68.930 0.03 A 10 THR CG2 C 13 21.188 0.03 A 10 THR N N 15 116.285 0.03 A 11 ILE H H 1 7.844 0.01 A 11 ILE HA H 1 3.780 0.01 A 11 ILE HB H 1 2.045 0.01 A 11 ILE HD1% H 1 0.900 0.01 A 11 ILE HG12 H 1 1.708 0.01 A 11 ILE HG13 H 1 1.211 0.01 A 11 ILE HG2% H 1 0.983 0.01 A 11 ILE CA C 13 64.962 0.03 A 11 ILE CB C 13 37.758 0.03 A 11 ILE CD1 C 13 12.026 0.03 A 11 ILE CG1 C 13 28.517 0.03 A 11 ILE CG2 C 13 16.322 0.03 A 11 ILE N N 15 122.329 0.03 A 12 VAL H H 1 8.164 0.01 A 12 VAL HA H 1 3.699 0.01 A 12 VAL HB H 1 2.165 0.01 A 12 VAL HG1% H 1 0.985 0.01 A 12 VAL HG2% H 1 1.100 0.01 A 12 VAL CA C 13 66.785 0.03 A 12 VAL CB C 13 32.507 0.03 A 12 VAL CG1 C 13 20.298 0.03 A 12 VAL CG2 C 13 21.961 0.03 A 12 VAL N N 15 118.503 0.03 A 13 LYS H H 1 8.034 0.01 A 13 LYS HA H 1 4.039 0.01 A 13 LYS HB2 H 1 2.013 0.01 A 13 LYS HB3 H 1 2.013 0.01 A 13 LYS HD2 H 1 1.738 0.01 A 13 LYS HD3 H 1 1.738 0.01 A 13 LYS HE2 H 1 2.986 0.01 A 13 LYS HE3 H 1 2.986 0.01 A 13 LYS HG2 H 1 1.457 0.01 A 13 LYS HG3 H 1 1.655 0.01 A 13 LYS CA C 13 58.497 0.03 A 13 LYS CB C 13 32.143 0.03 A 13 LYS CD C 13 28.780 0.03 A 13 LYS CE C 13 41.979 0.03 A 13 LYS CG C 13 25.132 0.03 A 13 LYS N N 15 121.835 0.03 A 14 LYS H H 1 8.049 0.01 A 14 LYS HA H 1 4.144 0.01 A 14 LYS HB2 H 1 2.074 0.01 A 14 LYS HB3 H 1 1.981 0.01 A 14 LYS HD2 H 1 1.741 0.01 A 14 LYS HD3 H 1 1.741 0.01 A 14 LYS HE2 H 1 2.996 0.01 A 14 LYS HE3 H 1 2.996 0.01 A 14 LYS HG2 H 1 1.560 0.01 A 14 LYS HG3 H 1 1.653 0.01 A 14 LYS CA C 13 55.400 0.03 A 14 LYS CB C 13 31.820 0.03 A 14 LYS CD C 13 29.248 0.03 A 14 LYS CE C 13 41.989 0.03 A 14 LYS CG C 13 24.737 0.03 A 14 LYS N N 15 120.586 0.03 A 15 LEU H H 1 8.824 0.01 A 15 LEU HA H 1 4.265 0.01 A 15 LEU HB2 H 1 1.923 0.01 A 15 LEU HB3 H 1 1.691 0.01 A 15 LEU HD1% H 1 0.933 0.01 A 15 LEU HD2% H 1 0.902 0.01 A 15 LEU HG H 1 1.920 0.01 A 15 LEU CA C 13 58.089 0.03 A 15 LEU CB C 13 41.617 0.03 A 15 LEU CD1 C 13 24.073 0.03 A 15 LEU CD2 C 13 22.217 0.03 A 15 LEU CG C 13 26.568 0.03 A 15 LEU N N 15 119.632 0.03 A 16 THR H H 1 8.340 0.01 A 16 THR HA H 1 4.060 0.01 A 16 THR HB H 1 4.433 0.01 A 16 THR HG2% H 1 1.356 0.01 A 16 THR CA C 13 67.225 0.03 A 16 THR CB C 13 68.738 0.03 A 16 THR CG2 C 13 20.303 0.03 A 16 THR N N 15 114.837 0.03 A 17 GLN H H 1 8.140 0.01 A 17 GLN HA H 1 4.063 0.01 A 17 GLN HB2 H 1 2.229 0.01 A 17 GLN HB3 H 1 2.389 0.01 A 17 GLN HE21 H 1 6.685 0.01 A 17 GLN HE22 H 1 7.082 0.01 A 17 GLN HG2 H 1 2.406 0.01 A 17 GLN HG3 H 1 2.714 0.01 A 17 GLN CA C 13 59.657 0.03 A 17 GLN CB C 13 28.141 0.03 A 17 GLN CG C 13 34.247 0.03 A 17 GLN N N 15 119.628 0.03 A 17 GLN NE2 N 15 108.716 0.03 A 18 TYR H H 1 8.224 0.01 A 18 TYR HA H 1 4.361 0.01 A 18 TYR HB2 H 1 3.269 0.01 A 18 TYR HB3 H 1 3.269 0.01 A 18 TYR HD1 H 1 7.157 0.01 A 18 TYR HD2 H 1 7.157 0.01 A 18 TYR HE1 H 1 6.792 0.01 A 18 TYR HE2 H 1 6.792 0.01 A 18 TYR CA C 13 56.285 0.03 A 18 TYR CB C 13 37.648 0.03 A 18 TYR CD1 C 13 132.614 0.03 A 18 TYR CD2 C 13 132.614 0.03 A 18 TYR CE1 C 13 117.571 0.03 A 18 TYR CE2 C 13 117.571 0.03 A 18 TYR N N 15 119.657 0.03 A 19 GLU H H 1 8.595 0.01 A 19 GLU HA H 1 4.176 0.01 A 19 GLU HB2 H 1 2.338 0.01 A 19 GLU HB3 H 1 2.507 0.01 A 19 GLU HG2 H 1 2.829 0.01 A 19 GLU HG3 H 1 2.621 0.01 A 19 GLU CA C 13 59.368 0.03 A 19 GLU CB C 13 27.857 0.03 A 19 GLU CG C 13 32.904 0.03 A 19 GLU N N 15 118.769 0.03 A 20 ILE H H 1 8.520 0.01 A 20 ILE HA H 1 3.843 0.01 A 20 ILE HB H 1 2.129 0.01 A 20 ILE HD1% H 1 1.021 0.01 A 20 ILE HG12 H 1 2.082 0.01 A 20 ILE HG13 H 1 1.246 0.01 A 20 ILE HG2% H 1 1.166 0.01 A 20 ILE CA C 13 65.645 0.03 A 20 ILE CB C 13 37.978 0.03 A 20 ILE CD1 C 13 12.840 0.03 A 20 ILE CG1 C 13 29.195 0.03 A 20 ILE CG2 C 13 17.693 0.03 A 20 ILE N N 15 119.831 0.03 A 21 ALA H H 1 8.232 0.01 A 21 ALA HA H 1 4.144 0.01 A 21 ALA HB% H 1 1.595 0.01 A 21 ALA CA C 13 55.033 0.03 A 21 ALA CB C 13 17.515 0.03 A 21 ALA N N 15 122.532 0.03 A 22 TRP H H 1 8.877 0.01 A 22 TRP HA H 1 4.174 0.01 A 22 TRP HB2 H 1 3.142 0.01 A 22 TRP HB3 H 1 3.444 0.01 A 22 TRP HD1 H 1 7.051 0.01 A 22 TRP HE1 H 1 9.726 0.01 A 22 TRP HE3 H 1 7.593 0.01 A 22 TRP HH2 H 1 7.220 0.01 A 22 TRP HZ2 H 1 7.445 0.01 A 22 TRP HZ3 H 1 7.147 0.01 A 22 TRP CA C 13 60.979 0.03 A 22 TRP CB C 13 28.488 0.03 A 22 TRP CD1 C 13 126.599 0.03 A 22 TRP CE3 C 13 120.616 0.03 A 22 TRP CH2 C 13 123.994 0.03 A 22 TRP CZ2 C 13 114.096 0.03 A 22 TRP CZ3 C 13 121.315 0.03 A 22 TRP N N 15 120.488 0.03 A 22 TRP NE1 N 15 127.061 0.03 A 23 PHE H H 1 8.780 0.01 A 23 PHE HA H 1 3.926 0.01 A 23 PHE HB2 H 1 3.459 0.01 A 23 PHE HB3 H 1 3.425 0.01 A 23 PHE HD1 H 1 7.360 0.01 A 23 PHE HD2 H 1 7.360 0.01 A 23 PHE HE1 H 1 7.070 0.01 A 23 PHE HE2 H 1 7.070 0.01 A 23 PHE CB C 13 39.138 0.03 A 23 PHE CD1 C 13 131.023 0.03 A 23 PHE CD2 C 13 131.023 0.03 A 23 PHE CE1 C 13 131.233 0.03 A 23 PHE CE2 C 13 131.233 0.03 A 24 LYS H H 1 8.787 0.01 A 24 LYS HA H 1 4.036 0.01 A 24 LYS HB2 H 1 1.930 0.01 A 24 LYS HB3 H 1 1.930 0.01 A 24 LYS HD2 H 1 0.925 0.01 A 24 LYS HD3 H 1 1.204 0.01 A 24 LYS HE2 H 1 2.751 0.01 A 24 LYS HE3 H 1 2.751 0.01 A 24 LYS HG2 H 1 1.180 0.01 A 24 LYS HG3 H 1 1.180 0.01 A 24 LYS CA C 13 60.331 0.03 A 24 LYS CB C 13 31.580 0.03 A 24 LYS CD C 13 28.383 0.03 A 24 LYS CE C 13 42.131 0.03 A 24 LYS CG C 13 24.577 0.03 A 25 ASN H H 1 8.307 0.01 A 25 ASN HA H 1 4.390 0.01 A 25 ASN HB2 H 1 2.802 0.01 A 25 ASN HB3 H 1 2.661 0.01 A 25 ASN HD21 H 1 7.153 0.01 A 25 ASN HD22 H 1 6.614 0.01 A 25 ASN CA C 13 55.642 0.03 A 25 ASN CB C 13 38.694 0.03 A 25 ASN N N 15 118.351 0.03 A 25 ASN ND2 N 15 110.390 0.03 A 26 LYS H H 1 7.825 0.01 A 26 LYS HA H 1 3.961 0.01 A 26 LYS HB2 H 1 1.222 0.01 A 26 LYS HB3 H 1 1.239 0.01 A 26 LYS HD2 H 1 1.316 0.01 A 26 LYS HD3 H 1 1.316 0.01 A 26 LYS HE2 H 1 2.644 0.01 A 26 LYS HE3 H 1 2.731 0.01 A 26 LYS HG2 H 1 0.882 0.01 A 26 LYS HG3 H 1 0.750 0.01 A 26 LYS CA C 13 56.275 0.03 A 26 LYS CB C 13 31.875 0.03 A 26 LYS CD C 13 27.745 0.03 A 26 LYS CE C 13 41.890 0.03 A 26 LYS CG C 13 23.431 0.03 A 26 LYS N N 15 116.666 0.03 A 27 HIS H H 1 7.972 0.01 A 27 HIS HA H 1 4.448 0.01 A 27 HIS HB2 H 1 2.767 0.01 A 27 HIS HB3 H 1 2.465 0.01 A 27 HIS HD2 H 1 6.482 0.01 A 27 HIS HE1 H 1 8.127 0.01 A 27 HIS CA C 13 55.538 0.03 A 27 HIS CB C 13 28.592 0.03 A 27 HIS CD2 C 13 119.698 0.03 A 27 HIS CE1 C 13 135.109 0.03 A 27 HIS N N 15 121.283 0.03 A 28 GLY H H 1 8.194 0.01 A 28 GLY HA2 H 1 3.712 0.01 A 28 GLY HA3 H 1 4.093 0.01 A 28 GLY CA C 13 44.810 0.03 A 28 GLY N N 15 107.141 0.03 A 29 TYR H H 1 7.136 0.01 A 29 TYR HA H 1 4.567 0.01 A 29 TYR HB2 H 1 2.966 0.01 A 29 TYR HB3 H 1 2.847 0.01 A 29 TYR HD1 H 1 7.010 0.01 A 29 TYR HD2 H 1 7.010 0.01 A 29 TYR HE1 H 1 6.793 0.01 A 29 TYR HE2 H 1 6.793 0.01 A 29 TYR CA C 13 55.614 0.03 A 29 TYR CB C 13 39.469 0.03 A 29 TYR CD1 C 13 133.817 0.03 A 29 TYR CD2 C 13 133.817 0.03 A 29 TYR CE1 C 13 117.535 0.03 A 29 TYR CE2 C 13 117.535 0.03 A 30 TYR H H 1 8.092 0.01 A 30 TYR HA H 1 4.363 0.01 A 30 TYR HB2 H 1 3.429 0.01 A 30 TYR HB3 H 1 3.429 0.01 A 30 TYR HD1 H 1 6.941 0.01 A 30 TYR HD2 H 1 6.941 0.01 A 30 TYR HE1 H 1 6.872 0.01 A 30 TYR HE2 H 1 6.872 0.01 A 30 TYR CA C 13 61.203 0.03 A 30 TYR CB C 13 39.146 0.03 A 30 TYR CD1 C 13 132.825 0.03 A 30 TYR CD2 C 13 132.825 0.03 A 30 TYR CE1 C 13 117.775 0.03 A 30 TYR CE2 C 13 117.775 0.03 A 30 TYR N N 15 121.254 0.03 A 31 PRO HA H 1 3.909 0.01 A 31 PRO HB2 H 1 1.836 0.01 A 31 PRO HB3 H 1 1.749 0.01 A 31 PRO HD2 H 1 3.241 0.01 A 31 PRO HD3 H 1 3.457 0.01 A 31 PRO HG2 H 1 1.508 0.01 A 31 PRO HG3 H 1 1.953 0.01 A 31 PRO CA C 13 65.148 0.03 A 31 PRO CB C 13 30.883 0.03 A 31 PRO CD C 13 49.628 0.03 A 31 PRO CG C 13 26.675 0.03 A 32 TRP H H 1 6.354 0.01 A 32 TRP HA H 1 4.757 0.01 A 32 TRP HB2 H 1 3.222 0.01 A 32 TRP HB3 H 1 3.541 0.01 A 32 TRP HD1 H 1 7.133 0.01 A 32 TRP HE1 H 1 10.022 0.01 A 32 TRP HE3 H 1 7.544 0.01 A 32 TRP HH2 H 1 6.965 0.01 A 32 TRP HZ2 H 1 6.903 0.01 A 32 TRP HZ3 H 1 7.143 0.01 A 32 TRP CB C 13 26.825 0.03 A 32 TRP CD1 C 13 126.806 0.03 A 32 TRP CE3 C 13 118.891 0.03 A 32 TRP CH2 C 13 124.677 0.03 A 32 TRP CZ2 C 13 115.169 0.03 A 32 TRP CZ3 C 13 121.970 0.03 A 32 TRP NE1 N 15 130.226 0.03 A 33 GLU H H 1 7.663 0.01 A 33 GLU HA H 1 4.447 0.01 A 33 GLU HB2 H 1 2.204 0.01 A 33 GLU HB3 H 1 2.187 0.01 A 33 GLU HG2 H 1 2.062 0.01 A 33 GLU HG3 H 1 2.395 0.01 A 33 GLU CA C 13 56.203 0.03 A 33 GLU CB C 13 29.852 0.03 A 33 GLU CG C 13 35.178 0.03 A 33 GLU N N 15 120.682 0.03 A 34 ILE H H 1 7.372 0.01 A 34 ILE HA H 1 4.284 0.01 A 34 ILE HB H 1 1.867 0.01 A 34 ILE HD1% H 1 0.891 0.01 A 34 ILE HG12 H 1 1.575 0.01 A 34 ILE HG13 H 1 1.189 0.01 A 34 ILE HG2% H 1 0.959 0.01 A 34 ILE CA C 13 58.705 0.03 A 34 ILE CB C 13 38.639 0.03 A 34 ILE CD1 C 13 12.077 0.03 A 34 ILE CG1 C 13 27.087 0.03 A 34 ILE CG2 C 13 16.314 0.03 A 34 ILE N N 15 120.216 0.03 A 35 PRO HA H 1 4.257 0.01 A 35 PRO HB2 H 1 1.941 0.01 A 35 PRO HB3 H 1 2.170 0.01 A 35 PRO HD2 H 1 3.718 0.01 A 35 PRO HD3 H 1 3.545 0.01 A 35 PRO HG2 H 1 2.011 0.01 A 35 PRO HG3 H 1 1.863 0.01 A 35 PRO CA C 13 63.107 0.03 A 35 PRO CB C 13 31.547 0.03 A 35 PRO CD C 13 50.437 0.03 A 35 PRO CG C 13 26.958 0.03 A 36 ARG H H 1 7.935 0.01 A 36 ARG HA H 1 4.448 0.01 A 36 ARG HB2 H 1 1.939 0.01 A 36 ARG HB3 H 1 1.819 0.01 A 36 ARG HD2 H 1 3.247 0.01 A 36 ARG HD3 H 1 3.247 0.01 A 36 ARG HE H 1 7.203 0.01 A 36 ARG HG2 H 1 1.724 0.01 A 36 ARG HG3 H 1 1.724 0.01 A 36 ARG CB C 13 30.911 0.03 A 36 ARG CD C 13 43.095 0.03 A 36 ARG CG C 13 26.739 0.03 A 36 ARG N N 15 120.035 0.03 A 36 ARG NE N 15 120.439 0.03 A 37 CYS H H 1 7.919 0.01 A 37 CYS HA H 1 4.530 0.01 A 37 CYS HB2 H 1 2.996 0.01 A 37 CYS HB3 H 1 2.996 0.01 A 37 CYS CA C 13 58.179 0.03 A 37 CYS CB C 13 28.383 0.03 A 37 CYS N N 15 120.819 0.03 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 24 LYS H A 24 LYS HD2 1.0 . 5.50 2 2 A 19 GLU H A 20 ILE HD1% 1.0 . 4.51 3 3 A 20 ILE HD1% A 20 ILE H 1.0 . 3.63 4 4 A 24 LYS H A 20 ILE HG2% 1.0 . 5.38 5 5 A 24 LYS H A 24 LYS HD3 1.0 . 5.09 6 6 A 12 VAL HG2% A 15 LEU H 1.0 . 5.50 7 7 A 20 ILE H A 20 ILE HG2% 1.0 . 3.82 8 8 A 20 ILE H A 20 ILE HG13 1.0 . 3.13 9 9 A 12 VAL HG1% A 13 LYS H 1.0 . 3.52 10 10 A 12 VAL HG2% A 12 VAL H 1.0 . 3.48 11 11 A 12 VAL H A 11 ILE HD1% 1.0 . 3.59 12 12 A 12 VAL HG2% A 13 LYS H 1.0 . 5.09 13 13 A 11 ILE H A 11 ILE HG13 1.0 . 4.23 14 14 A 26 LYS HB2 A 27 HIS H 1.0 . 2.97 15 15 A 16 THR HG2% A 17 GLN H 1.0 . 3.76 16 16 A 10 THR HG2% A 14 LYS H 1.0 . 3.93 17 17 A 12 VAL HG2% A 9 GLY H 1.0 . 4.60 18 18 A 16 THR HG2% A 16 THR H 1.0 . 3.87 19 19 A 21 ALA H A 21 ALA HB% 1.0 . 3.01 20 20 A 21 ALA HB% A 25 ASN H 1.0 . 4.89 21 21 A 14 LYS H A 13 LYS HG3 1.0 . 3.48 22 22 A 5 PHE H A 4 LYS HD2 1.0 . 3.77 23 22 A 4 LYS HD3 A 5 PHE H 1.0 . 3.77 24 23 A 36 ARG H A 35 PRO HB2 1.0 . 3.53 25 24 A 13 LYS H A 13 LYS HB2 1.0 . 3.71 26 24 A 13 LYS H A 13 LYS HB3 1.0 . 3.71 27 25 A 36 ARG H A 35 PRO HB3 1.0 . 3.53 28 26 A 12 VAL H A 12 VAL HB 1.0 . 3.29 29 27 A 21 ALA H A 24 LYS HB2 1.0 . 5.02 30 27 A 21 ALA H A 24 LYS HB3 1.0 . 5.02 31 28 A 28 GLY H A 24 LYS HB2 1.0 . 5.40 32 28 A 24 LYS HB3 A 28 GLY H 1.0 . 5.40 33 29 A 12 VAL H A 15 LEU HB2 1.0 . 5.50 34 30 A 17 GLN H A 15 LEU HB2 1.0 . 5.50 35 31 A 30 TYR H A 31 PRO HG3 1.0 . 4.27 36 32 A 14 LYS H A 15 LEU HB2 1.0 . 4.47 37 33 A 28 GLY H A 27 HIS HB3 1.0 . 5.50 38 34 A 9 GLY H A 6 ASN HB2 1.0 . 4.04 39 35 A 30 TYR H A 29 TYR HB3 1.0 . 3.75 40 36 A 28 GLY H A 27 HIS HB2 1.0 . 3.05 41 37 A 3 PHE H A 3 PHE HB3 1.0 . 3.70 42 38 A 3 PHE HB2 A 4 LYS H 1.0 . 5.50 43 39 A 4 LYS H A 4 LYS HE2 1.0 . 4.60 44 39 A 4 LYS H A 4 LYS HE3 1.0 . 4.60 45 40 A 4 LYS H A 5 PHE HB2 1.0 . 4.91 46 40 A 4 LYS H A 5 PHE HB3 1.0 . 4.91 47 41 A 21 ALA H A 22 TRP HB2 1.0 . 5.50 48 42 A 11 ILE H A 12 VAL HA 1.0 . 5.50 49 43 A 14 LYS H A 11 ILE HA 1.0 . 4.83 50 44 A 11 ILE H A 8 THR HA 1.0 . 4.27 51 45 A 25 ASN H A 21 ALA HA 1.0 . 5.17 52 46 A 25 ASN H A 22 TRP HA 1.0 . 5.43 53 47 A 17 GLN H A 14 LYS HA 1.0 . 3.55 54 48 A 14 LYS H A 14 LYS HA 1.0 . 2.88 55 49 A 22 TRP HA A 26 LYS H 1.0 . 5.50 56 50 A 27 HIS H A 24 LYS HA 1.0 . 3.69 57 51 A 15 LEU HA A 18 TYR H 1.0 . 5.50 58 52 A 14 LYS H A 15 LEU HA 1.0 . 5.45 59 53 A 17 GLN H A 15 LEU HA 1.0 . 5.42 60 54 A 20 ILE H A 16 THR HA 1.0 . 5.10 61 55 A 20 ILE H A 17 GLN HA 1.0 . 5.50 62 56 A 19 GLU H A 15 LEU HA 1.0 . 5.50 63 57 A 24 LYS HA A 23 PHE HE% 1.0 . 5.50 64 58 A 32 TRP HB2 A 34 ILE H 1.0 . 5.33 65 59 A 22 TRP HB2 A 22 TRP HZ3 1.0 . 5.50 66 60 A 22 TRP HB2 A 25 ASN HD21 1.0 . 5.50 67 61 A 29 TYR HE% A 31 PRO HD2 1.0 . 5.50 68 62 A 25 ASN HD21 A 22 TRP HB3 1.0 . 5.50 69 63 A 32 TRP H A 32 TRP HE3 1.0 . 5.33 70 64 A 32 TRP H A 32 TRP HZ3 1.0 . 4.16 71 65 A 34 ILE H A 33 GLU H 1.0 . 3.28 72 66 A 32 TRP H A 33 GLU H 1.0 . 5.41 73 67 A 27 HIS H A 26 LYS H 1.0 . 2.40 74 68 A 17 GLN H A 16 THR H 1.0 . 2.70 75 69 A 19 GLU H A 18 TYR H 1.0 . 2.51 76 70 A 24 LYS H A 25 ASN H 1.0 . 2.70 77 71 A 15 LEU H A 16 THR H 1.0 . 2.92 78 72 A 21 ALA H A 22 TRP H 1.0 . 4.41 79 73 A 15 LEU H A 14 LYS H 1.0 . 2.73 80 74 A 5 PHE H A 6 ASN H 1.0 . 2.40 81 75 A 9 GLY H A 10 THR H 1.0 . 3.00 82 76 A 25 ASN H A 26 LYS H 1.0 . 2.78 83 77 A 12 VAL H A 11 ILE H 1.0 . 3.00 84 78 A 29 TYR H A 29 TYR HD% 1.0 . 3.00 85 79 A 5 PHE H A 5 PHE HD% 1.0 . 3.28 86 80 A 6 ASN H A 3 PHE HD% 1.0 . 3.28 87 81 A 28 GLY H A 29 TYR H 1.0 . 2.40 88 82 A 18 TYR H A 18 TYR HD% 1.0 . 2.40 89 83 A 23 PHE HD% A 27 HIS HE1 1.0 . 3.62 90 84 A 22 TRP H A 22 TRP HE3 1.0 . 5.50 91 85 A 24 LYS H A 26 LYS H 1.0 . 4.31 92 86 A 19 GLU H A 20 ILE H 1.0 . 2.55 93 87 A 20 ILE H A 21 ALA H 1.0 . 2.90 94 88 A 15 LEU H A 17 GLN H 1.0 . 4.42 95 89 A 22 TRP H A 23 PHE H 1.0 . 3.04 96 90 A 24 LYS H A 25 ASN HA 1.0 . 5.24 97 91 A 24 LYS H A 21 ALA HA 1.0 . 4.82 98 92 A 23 PHE H A 20 ILE HA 1.0 . 5.50 99 93 A 15 LEU H A 11 ILE HA 1.0 . 4.31 100 94 A 15 LEU H A 12 VAL HA 1.0 . 4.63 101 95 A 19 GLU H A 18 TYR HA 1.0 . 3.56 102 96 A 19 GLU H A 16 THR HA 1.0 . 3.16 103 97 A 1 MET HA A 2 LYS H 1.0 . 2.92 104 98 A 16 THR H A 16 THR HA 1.0 . 2.84 105 99 A 21 ALA H A 21 ALA HA 1.0 . 2.85 106 100 A 16 THR H A 16 THR HB 1.0 . 3.03 107 101 A 3 PHE H A 2 LYS HA 1.0 . 2.55 108 102 A 36 ARG HA A 37 CYS H 1.0 . 3.48 109 103 A 36 ARG H A 35 PRO HA 1.0 . 2.70 110 104 A 8 THR H A 8 THR HB 1.0 . 2.40 111 105 A 17 GLN H A 17 GLN HA 1.0 . 2.85 112 106 A 8 THR HA A 8 THR H 1.0 . 2.85 113 107 A 4 LYS H A 3 PHE HA 1.0 . 3.21 114 108 A 5 PHE H A 3 PHE HA 1.0 . 4.27 115 109 A 10 THR H A 10 THR HB 1.0 . 2.68 116 110 A 22 TRP HA A 22 TRP HE3 1.0 . 4.38 117 111 A 10 THR H A 9 GLY HA3 1.0 . 2.95 118 112 A 8 THR H A 7 PRO HD2 1.0 . 2.70 119 113 A 28 GLY H A 28 GLY HA2 1.0 . 2.46 120 114 A 9 GLY H A 9 GLY HA3 1.0 . 2.40 121 115 A 9 GLY H A 9 GLY HA2 1.0 . 2.85 122 116 A 28 GLY H A 24 LYS HA 1.0 . 2.64 123 117 A 16 THR H A 12 VAL HA 1.0 . 4.80 124 118 A 23 PHE HE% A 27 HIS HE1 1.0 . 3.72 125 119 A 30 TYR H A 23 PHE HE% 1.0 . 4.26 126 120 A 30 TYR H A 29 TYR HD% 1.0 . 3.75 127 121 A 28 GLY H A 29 TYR HD% 1.0 . 4.33 128 122 A 25 ASN H A 25 ASN HD21 1.0 . 4.70 129 123 A 25 ASN HD21 A 23 PHE H 1.0 . 5.50 130 124 A 24 LYS H A 29 TYR H 1.0 . 5.50 131 125 A 22 TRP HB3 A 23 PHE H 1.0 . 5.09 132 126 A 19 GLU H A 18 TYR HB2 1.0 . 5.45 133 126 A 19 GLU H A 18 TYR HB3 1.0 . 5.45 134 127 A 25 ASN H A 24 LYS HB2 1.0 . 2.90 135 127 A 25 ASN H A 24 LYS HB3 1.0 . 2.90 136 128 A 16 THR H A 15 LEU HB2 1.0 . 3.38 137 129 A 15 LEU H A 11 ILE HG2% 1.0 . 5.50 138 130 A 15 LEU H A 15 LEU HD2% 1.0 . 5.50 139 131 A 17 GLN H A 18 TYR HB2 1.0 . 5.12 140 131 A 17 GLN H A 18 TYR HB3 1.0 . 5.12 141 132 A 3 PHE H A 3 PHE HB2 1.0 . 2.49 142 133 A 6 ASN H A 5 PHE HB2 1.0 . 2.74 143 133 A 5 PHE HB3 A 6 ASN H 1.0 . 2.74 144 134 A 3 PHE HB3 A 4 LYS H 1.0 . 2.86 145 135 A 8 THR H A 6 ASN HB3 1.0 . 3.26 146 136 A 3 PHE HB3 A 6 ASN H 1.0 . 2.66 147 137 A 28 GLY H A 29 TYR HB2 1.0 . 4.49 148 138 A 5 PHE H A 5 PHE HB2 1.0 . 3.82 149 138 A 5 PHE H A 5 PHE HB3 1.0 . 3.82 150 139 A 37 CYS H A 37 CYS HB2 1.0 . 2.72 151 139 A 37 CYS H A 37 CYS HB3 1.0 . 2.72 152 140 A 5 PHE H A 3 PHE HB3 1.0 . 2.95 153 141 A 5 PHE H A 3 PHE HB2 1.0 . 4.44 154 142 A 17 GLN H A 17 GLN HB3 1.0 . 3.29 155 143 A 18 TYR H A 17 GLN HB3 1.0 . 3.89 156 144 A 21 ALA H A 19 GLU HB3 1.0 . 5.43 157 145 A 18 TYR H A 17 GLN HB2 1.0 . 3.89 158 146 A 17 GLN H A 17 GLN HB2 1.0 . 3.29 159 147 A 8 THR H A 7 PRO HB2 1.0 . 3.30 160 148 A 13 LYS H A 12 VAL HB 1.0 . 2.88 161 149 A 11 ILE H A 11 ILE HB 1.0 . 2.68 162 150 A 14 LYS H A 14 LYS HB2 1.0 . 2.55 163 151 A 12 VAL H A 11 ILE HB 1.0 . 2.93 164 152 A 21 ALA H A 20 ILE HB 1.0 . 3.07 165 153 A 4 LYS H A 4 LYS HD2 1.0 . 2.48 166 153 A 4 LYS HD3 A 4 LYS H 1.0 . 2.48 167 154 A 4 LYS H A 4 LYS HB2 1.0 . 2.85 168 155 A 36 ARG H A 36 ARG HG2 1.0 . 2.72 169 155 A 36 ARG H A 36 ARG HG3 1.0 . 2.72 170 156 A 5 PHE H A 4 LYS HB3 1.0 . 5.15 171 157 A 11 ILE H A 11 ILE HG12 1.0 . 3.92 172 158 A 5 PHE H A 4 LYS HB2 1.0 . 3.22 173 159 A 14 LYS H A 14 LYS HD2 1.0 . 3.44 174 159 A 14 LYS H A 14 LYS HD3 1.0 . 3.44 175 160 A 14 LYS H A 14 LYS HG2 1.0 . 2.51 176 161 A 14 LYS H A 13 LYS HG2 1.0 . 2.45 177 162 A 4 LYS H A 4 LYS HG3 1.0 . 3.20 178 163 A 8 THR H A 8 THR HG2% 1.0 . 2.73 179 164 A 9 GLY H A 8 THR HG2% 1.0 . 3.10 180 165 A 26 LYS HB2 A 25 ASN H 1.0 . 4.88 181 166 A 26 LYS HB2 A 27 HIS HE1 1.0 . 3.37 182 167 A 16 THR H A 14 LYS HB3 1.0 . 5.39 183 168 A 30 TYR H A 31 PRO HG2 1.0 . 3.42 184 169 A 33 GLU H A 33 GLU HG2 1.0 . 3.75 185 170 A 32 TRP HE3 A 31 PRO HB2 1.0 . 3.40 186 171 A 32 TRP HE3 A 31 PRO HB3 1.0 . 4.03 187 172 A 33 GLU H A 31 PRO HB2 1.0 . 3.50 188 173 A 22 TRP HZ2 A 26 LYS HD2 1.0 . 5.50 189 173 A 22 TRP HZ2 A 26 LYS HD3 1.0 . 5.50 190 174 A 34 ILE H A 34 ILE HG12 1.0 . 5.10 191 175 A 34 ILE H A 34 ILE HB 1.0 . 3.72 192 176 A 23 PHE HD% A 24 LYS HB2 1.0 . 3.90 193 176 A 24 LYS HB3 A 23 PHE HD% 1.0 . 3.90 194 177 A 23 PHE HD% A 20 ILE HB 1.0 . 5.50 195 178 A 23 PHE HD% A 20 ILE HG12 1.0 . 5.50 196 179 A 34 ILE H A 33 GLU HG2 1.0 . 5.50 197 180 A 25 ASN HD21 A 24 LYS HB2 1.0 . 4.91 198 180 A 24 LYS HB3 A 25 ASN HD21 1.0 . 4.91 199 181 A 29 TYR H A 24 LYS HB2 1.0 . 5.21 200 181 A 24 LYS HB3 A 29 TYR H 1.0 . 5.21 201 182 A 29 TYR HD% A 33 GLU HB2 1.0 . 4.42 202 183 A 18 TYR HD% A 15 LEU HB3 1.0 . 5.23 203 184 A 23 PHE HE% A 34 ILE HG12 1.0 . 3.87 204 185 A 29 TYR HD% A 34 ILE HG12 1.0 . 5.48 205 186 A 29 TYR HD% A 31 PRO HG2 1.0 . 3.43 206 187 A 31 PRO HG3 A 30 TYR HD% 1.0 . 4.03 207 188 A 30 TYR HE% A 24 LYS HB2 1.0 . 5.50 208 188 A 24 LYS HB3 A 30 TYR HE% 1.0 . 5.50 209 189 A 20 ILE HG12 A 30 TYR HD% 1.0 . 4.07 210 190 A 20 ILE HB A 30 TYR HD% 1.0 . 3.84 211 191 A 30 TYR HE% A 24 LYS HE2 1.0 . 3.20 212 191 A 30 TYR HE% A 24 LYS HE3 1.0 . 3.20 213 192 A 31 PRO HD2 A 30 TYR HE% 1.0 . 4.59 214 193 A 31 PRO HD2 A 30 TYR HD% 1.0 . 3.34 215 194 A 30 TYR HD% A 31 PRO HD3 1.0 . 5.50 216 195 A 32 TRP HB3 A 32 TRP HD1 1.0 . 3.82 217 196 A 23 PHE HD% A 23 PHE HA 1.0 . 4.39 218 197 A 24 LYS HA A 23 PHE HD% 1.0 . 4.31 219 198 A 23 PHE HD% A 30 TYR HA 1.0 . 3.61 220 199 A 5 PHE HD% A 5 PHE HA 1.0 . 2.95 221 200 A 32 TRP HD1 A 32 TRP HA 1.0 . 4.34 222 201 A 18 TYR HD% A 18 TYR HA 1.0 . 3.26 223 202 A 23 PHE HE% A 30 TYR HA 1.0 . 3.00 224 203 A 29 TYR HD% A 29 TYR HA 1.0 . 3.07 225 204 A 30 TYR HD% A 29 TYR HA 1.0 . 3.14 226 205 A 30 TYR HD% A 30 TYR HA 1.0 . 3.60 227 206 A 30 TYR HE% A 29 TYR HA 1.0 . 3.59 228 207 A 29 TYR HE% A 27 HIS HA 1.0 . 5.50 229 208 A 29 TYR HE% A 33 GLU HA 1.0 . 5.50 230 209 A 18 TYR HA A 18 TYR HE% 1.0 . 4.83 231 210 A 15 LEU HA A 18 TYR HE% 1.0 . 5.07 232 211 A 29 TYR HE% A 34 ILE HA 1.0 . 5.32 233 212 A 29 TYR HE% A 29 TYR HA 1.0 . 4.81 234 213 A 34 ILE H A 32 TRP HA 1.0 . 4.69 235 214 A 8 THR H A 6 ASN HA 1.0 . 5.50 236 215 A 31 PRO HD2 A 33 GLU H 1.0 . 5.27 237 216 A 32 TRP HB2 A 33 GLU H 1.0 . 5.50 238 217 A 22 TRP HB3 A 22 TRP HE3 1.0 . 4.21 239 218 A 33 GLU H A 32 TRP HB3 1.0 . 4.31 240 219 A 31 PRO HG3 A 32 TRP H 1.0 . 5.50 241 220 A 10 THR HG2% A 10 THR H 1.0 . 4.08 242 221 A 11 ILE H A 11 ILE HG2% 1.0 . 3.83 243 222 A 11 ILE HD1% A 11 ILE H 1.0 . 5.50 244 223 A 26 LYS H A 26 LYS HG2 1.0 . 5.50 245 224 A 12 VAL H A 11 ILE HG2% 1.0 . 3.26 246 225 A 16 THR H A 15 LEU HB3 1.0 . 3.69 247 226 A 22 TRP HE1 A 26 LYS HE3 1.0 . 5.50 248 227 A 22 TRP HE1 A 26 LYS HE2 1.0 . 5.50 249 228 A 33 GLU HG2 A 32 TRP HE1 1.0 . 5.50 250 229 A 32 TRP HE1 A 33 GLU HG3 1.0 . 5.50 251 230 A 34 ILE H A 34 ILE HG2% 1.0 . 5.29 252 231 A 18 TYR HD% A 15 LEU HD2% 1.0 . 4.36 253 232 A 23 PHE HE% A 34 ILE HD1% 1.0 . 3.56 254 233 A 20 ILE HG2% A 30 TYR HD% 1.0 . 2.60 255 234 A 20 ILE HG2% A 30 TYR HE% 1.0 . 2.95 256 235 A 24 LYS HD3 A 30 TYR HE% 1.0 . 3.07 257 236 A 29 TYR HE% A 34 ILE HG13 1.0 . 5.50 258 237 A 29 TYR HD% A 34 ILE HG2% 1.0 . 3.47 259 238 A 15 LEU HD2% A 18 TYR HE% 1.0 . 4.41 260 239 A 29 TYR HE% A 34 ILE HG2% 1.0 . 4.71 261 240 A 24 LYS HD2 A 30 TYR HE% 1.0 . 3.79 262 241 A 29 TYR HD% A 34 ILE HG13 1.0 . 3.54 263 242 A 35 PRO HA A 36 ARG HD2 1.0 . 3.67 264 242 A 35 PRO HA A 36 ARG HD3 1.0 . 3.67 265 243 A 32 TRP HB3 A 31 PRO HA 1.0 . 4.64 266 244 A 14 LYS HG2 A 14 LYS HD2 1.0 . 2.40 267 244 A 14 LYS HD3 A 14 LYS HG2 1.0 . 2.40 268 245 A 13 LYS HG2 A 13 LYS HD2 1.0 . 2.90 269 245 A 13 LYS HG2 A 13 LYS HD3 1.0 . 2.90 270 246 A 19 GLU HB2 A 19 GLU HG3 1.0 . 2.93 271 247 A 22 TRP HB3 A 20 ILE HA 1.0 . 5.13 272 248 A 16 THR HB A 13 LYS HA 1.0 . 5.50 273 249 A 19 GLU H A 18 TYR HD% 1.0 . 4.08 274 250 A 22 TRP H A 22 TRP HD1 1.0 . 5.50 275 251 A 23 PHE H A 22 TRP HD1 1.0 . 4.30 276 252 A 15 LEU H A 18 TYR HD% 1.0 . 5.50 277 253 A 24 LYS H A 25 ASN HD21 1.0 . 5.50 278 254 A 23 PHE HD% A 23 PHE H 1.0 . 5.50 279 255 A 24 LYS H A 23 PHE HD% 1.0 . 5.50 280 256 A 30 TYR H A 30 TYR HD% 1.0 . 2.77 281 257 A 18 TYR H A 18 TYR HE% 1.0 . 4.68 282 258 A 11 ILE HA A 11 ILE HG12 1.0 . 3.55 283 259 A 12 VAL HA A 15 LEU HB3 1.0 . 4.57 284 260 A 14 LYS HA A 14 LYS HB3 1.0 . 2.90 285 261 A 21 ALA HA A 24 LYS HB2 1.0 . 3.79 286 261 A 24 LYS HB3 A 21 ALA HA 1.0 . 3.79 287 262 A 33 GLU HG2 A 33 GLU HA 1.0 . 3.56 288 263 A 36 ARG HA A 36 ARG HG2 1.0 . 3.48 289 263 A 36 ARG HA A 36 ARG HG3 1.0 . 3.48 290 264 A 14 LYS HA A 14 LYS HD2 1.0 . 2.66 291 264 A 14 LYS HA A 14 LYS HD3 1.0 . 2.66 292 265 A 13 LYS HG3 A 13 LYS HA 1.0 . 3.42 293 266 A 10 THR HG2% A 10 THR HA 1.0 . 3.17 294 267 A 16 THR HG2% A 16 THR HA 1.0 . 3.38 295 268 A 21 ALA HA A 24 LYS HG2 1.0 . 3.55 296 268 A 21 ALA HA A 24 LYS HG3 1.0 . 3.55 297 269 A 12 VAL HG2% A 8 THR HB 1.0 . 4.15 298 270 A 24 LYS HA A 24 LYS HG2 1.0 . 2.74 299 270 A 24 LYS HA A 24 LYS HG3 1.0 . 2.74 300 271 A 34 ILE HA A 34 ILE HG13 1.0 . 2.97 301 272 A 27 HIS HA A 34 ILE HG2% 1.0 . 4.99 302 273 A 36 ARG HA A 34 ILE HG2% 1.0 . 5.40 303 274 A 20 ILE HD1% A 16 THR HB 1.0 . 3.56 304 275 A 15 LEU HA A 15 LEU HD1% 1.0 . 3.70 305 276 A 34 ILE HA A 34 ILE HG2% 1.0 . 3.90 306 277 A 15 LEU HA A 15 LEU HD2% 1.0 . 3.73 307 278 A 11 ILE HD1% A 10 THR HB 1.0 . 4.34 308 279 A 24 LYS HD2 A 24 LYS HA 1.0 . 3.00 309 280 A 11 ILE HD1% A 8 THR HA 1.0 . 4.51 310 281 A 23 PHE HA A 26 LYS HG3 1.0 . 5.50 311 282 A 23 PHE HA A 26 LYS HG2 1.0 . 4.13 312 283 A 11 ILE HD1% A 11 ILE HA 1.0 . 4.09 313 284 A 11 ILE HA A 15 LEU HD2% 1.0 . 4.27 314 285 A 24 LYS HD2 A 28 GLY HA2 1.0 . 2.95 315 286 A 12 VAL HG1% A 12 VAL HA 1.0 . 2.98 316 287 A 12 VAL HG2% A 12 VAL HA 1.0 . 3.80 317 288 A 12 VAL HG2% A 8 THR HA 1.0 . 3.58 318 289 A 26 LYS HA A 26 LYS HB3 1.0 . 2.40 319 290 A 20 ILE HG2% A 20 ILE HA 1.0 . 2.76 320 291 A 4 LYS HG3 A 4 LYS HA 1.0 . 2.65 321 292 A 10 THR HG2% A 14 LYS HA 1.0 . 5.25 322 293 A 11 ILE HG13 A 11 ILE HA 1.0 . 3.53 323 294 A 21 ALA HB% A 22 TRP HB3 1.0 . 4.73 324 295 A 21 ALA HB% A 18 TYR HB2 1.0 . 4.83 325 295 A 21 ALA HB% A 18 TYR HB3 1.0 . 4.83 326 296 A 14 LYS HB2 A 14 LYS HE2 1.0 . 5.43 327 296 A 14 LYS HB2 A 14 LYS HE3 1.0 . 5.43 328 297 A 13 LYS HB2 A 13 LYS HE2 1.0 . 5.50 329 297 A 13 LYS HB3 A 13 LYS HE2 1.0 . 5.50 330 297 A 13 LYS HE3 A 13 LYS HB2 1.0 . 5.50 331 297 A 13 LYS HB3 A 13 LYS HE3 1.0 . 5.50 332 298 A 16 THR HG2% A 19 GLU HB3 1.0 . 5.16 333 299 A 11 ILE HG2% A 15 LEU HG 1.0 . 2.62 334 300 A 12 VAL HG2% A 11 ILE HB 1.0 . 3.38 335 301 A 12 VAL HG2% A 8 THR HG2% 1.0 . 2.41 336 302 A 14 LYS HB3 A 14 LYS HD2 1.0 . 2.72 337 302 A 14 LYS HD3 A 14 LYS HB3 1.0 . 2.72 338 303 A 14 LYS HB2 A 14 LYS HG2 1.0 . 2.86 339 304 A 24 LYS HB2 A 24 LYS HG2 1.0 . 2.47 340 304 A 24 LYS HB3 A 24 LYS HG2 1.0 . 2.47 341 304 A 24 LYS HG3 A 24 LYS HB2 1.0 . 2.47 342 304 A 24 LYS HB3 A 24 LYS HG3 1.0 . 2.47 343 305 A 34 ILE HB A 34 ILE HG13 1.0 . 2.70 344 306 A 11 ILE HD1% A 7 PRO HB2 1.0 . 4.06 345 307 A 11 ILE HD1% A 11 ILE HB 1.0 . 2.46 346 308 A 11 ILE HG2% A 11 ILE HG12 1.0 . 2.77 347 309 A 15 LEU HB3 A 15 LEU HD1% 1.0 . 3.24 348 310 A 34 ILE HG12 A 34 ILE HG2% 1.0 . 3.05 349 311 A 27 HIS HB2 A 29 TYR HD% 1.0 . 3.70 350 312 A 29 TYR HB3 A 30 TYR HD% 1.0 . 4.15 351 313 A 27 HIS HB2 A 29 TYR H 1.0 . 3.67 352 314 A 27 HIS HB3 A 29 TYR HD% 1.0 . 3.88 353 315 A 29 TYR HD% A 33 GLU HG3 1.0 . 5.30 354 316 A 23 PHE HA A 22 TRP HD1 1.0 . 3.49 355 317 A 22 TRP HA A 22 TRP HD1 1.0 . 4.23 356 318 A 22 TRP HA A 25 ASN HD21 1.0 . 3.22 357 319 A 15 LEU HA A 18 TYR HD% 1.0 . 3.04 358 320 A 29 TYR HD% A 28 GLY HA3 1.0 . 3.50 359 321 A 24 LYS HA A 29 TYR H 1.0 . 4.07 360 322 A 29 TYR HE% A 34 ILE HG12 1.0 . 5.50 361 323 A 24 LYS HD2 A 29 TYR H 1.0 . 3.84 362 324 A 22 TRP HZ2 A 26 LYS HE3 1.0 . 5.50 363 325 A 22 TRP HZ2 A 26 LYS HE2 1.0 . 5.50 364 326 A 34 ILE HG12 A 34 ILE HA 1.0 . 3.42 365 327 A 10 THR HA A 13 LYS HD2 1.0 . 3.22 366 327 A 13 LYS HD3 A 10 THR HA 1.0 . 3.22 367 328 A 24 LYS HA A 24 LYS HB2 1.0 . 3.02 368 328 A 24 LYS HB3 A 24 LYS HA 1.0 . 3.02 369 329 A 13 LYS HA A 13 LYS HB2 1.0 . 2.67 370 329 A 13 LYS HB3 A 13 LYS HA 1.0 . 2.67 371 330 A 17 GLN HA A 17 GLN HG2 1.0 . 3.62 372 331 A 15 LEU HA A 18 TYR HB2 1.0 . 5.50 373 331 A 15 LEU HA A 18 TYR HB3 1.0 . 5.50 374 332 A 26 LYS HB2 A 27 HIS HD2 1.0 . 5.50 375 333 A 32 TRP H A 34 ILE HG13 1.0 . 5.50 376 334 A 8 THR H A 7 PRO HD3 1.0 . 5.28 377 335 A 6 ASN H A 7 PRO HD3 1.0 . 5.06 378 336 A 21 ALA H A 22 TRP HB3 1.0 . 5.11 379 337 A 18 TYR H A 19 GLU HG2 1.0 . 3.76 380 338 A 26 LYS HG2 A 26 LYS HE3 1.0 . 4.12 381 339 A 26 LYS HG2 A 26 LYS HE2 1.0 . 4.12 382 340 A 33 GLU HG3 A 34 ILE HG13 1.0 . 5.50 383 341 A 16 THR HG2% A 20 ILE HG12 1.0 . 2.96 384 342 A 16 THR HG2% A 20 ILE HB 1.0 . 4.28 385 343 A 10 THR HG2% A 13 LYS HB2 1.0 . 4.13 386 343 A 10 THR HG2% A 13 LYS HB3 1.0 . 4.13 387 344 A 13 LYS HG2 A 13 LYS HB2 1.0 . 2.50 388 344 A 13 LYS HB3 A 13 LYS HG2 1.0 . 2.50 389 345 A 10 THR HG2% A 14 LYS HG2 1.0 . 2.40 390 346 A 10 THR HG2% A 13 LYS HG2 1.0 . 3.11 391 347 A 34 ILE H A 34 ILE HD1% 1.0 . 5.50 392 348 A 20 ILE HG2% A 23 PHE HD% 1.0 . 5.50 393 349 A 34 ILE H A 34 ILE HG13 1.0 . 5.50 394 350 A 26 LYS HB2 A 23 PHE HD% 1.0 . 5.50 395 351 A 20 ILE HG2% A 29 TYR H 1.0 . 5.50 396 352 A 29 TYR H A 24 LYS HG2 1.0 . 5.50 397 352 A 29 TYR H A 24 LYS HG3 1.0 . 5.50 398 353 A 24 LYS HD3 A 29 TYR H 1.0 . 5.50 399 354 A 20 ILE HD1% A 18 TYR HD% 1.0 . 5.50 400 355 A 26 LYS HG2 A 22 TRP HD1 1.0 . 5.50 401 356 A 29 TYR HD% A 34 ILE HD1% 1.0 . 5.50 402 357 A 20 ILE HD1% A 30 TYR HD% 1.0 . 5.50 403 358 A 24 LYS HD3 A 30 TYR HD% 1.0 . 5.50 404 359 A 31 PRO HG2 A 30 TYR HD% 1.0 . 5.50 405 360 A 21 ALA HB% A 25 ASN HD21 1.0 . 5.50 406 361 A 29 TYR H A 34 ILE HG12 1.0 . 5.50 407 362 A 11 ILE H A 12 VAL HB 1.0 . 5.14 408 363 A 33 GLU H A 33 GLU HG3 1.0 . 5.50 409 364 A 34 ILE H A 33 GLU HB2 1.0 . 5.50 410 365 A 34 ILE H A 33 GLU HB3 1.0 . 5.50 411 366 A 34 ILE H A 31 PRO HG2 1.0 . 5.50 412 367 A 26 LYS H A 25 ASN HB3 1.0 . 5.50 413 368 A 26 LYS H A 25 ASN HB2 1.0 . 5.50 414 369 A 21 ALA HB% A 25 ASN HD22 1.0 . 5.50 415 370 A 12 VAL HG2% A 11 ILE H 1.0 . 4.56 416 371 A 14 LYS H A 15 LEU HD2% 1.0 . 3.85 417 372 A 11 ILE HD1% A 9 GLY H 1.0 . 4.18 418 373 A 25 ASN H A 26 LYS HG2 1.0 . 5.50 419 374 A 16 THR H A 15 LEU HD2% 1.0 . 4.15 420 375 A 20 ILE HG2% A 21 ALA H 1.0 . 3.89 421 376 A 27 HIS H A 26 LYS HG2 1.0 . 4.25 422 377 A 20 ILE HA A 20 ILE HG12 1.0 . 3.75 423 378 A 11 ILE HA A 14 LYS HB2 1.0 . 3.91 424 379 A 15 LEU HB2 A 12 VAL HA 1.0 . 3.31 425 380 A 10 THR HG2% A 11 ILE HA 1.0 . 3.99 426 381 A 20 ILE HG2% A 30 TYR HB2 1.0 . 5.50 427 381 A 20 ILE HG2% A 30 TYR HB3 1.0 . 5.50 428 382 A 11 ILE HA A 11 ILE HG2% 1.0 . 3.73 429 383 A 28 GLY HA2 A 24 LYS HG2 1.0 . 3.80 430 383 A 28 GLY HA2 A 24 LYS HG3 1.0 . 3.80 431 384 A 9 GLY HA2 A 8 THR HG2% 1.0 . 4.85 432 385 A 16 THR HG2% A 20 ILE HA 1.0 . 4.05 433 386 A 13 LYS HG2 A 10 THR HA 1.0 . 3.11 434 387 A 20 ILE HD1% A 17 GLN HA 1.0 . 2.70 435 388 A 12 VAL HG1% A 13 LYS HA 1.0 . 3.49 436 389 A 11 ILE HD1% A 10 THR HA 1.0 . 4.99 437 390 A 8 THR HA A 11 ILE HG2% 1.0 . 4.08 438 391 A 20 ILE HG2% A 21 ALA HA 1.0 . 5.30 439 392 A 11 ILE HD1% A 8 THR HB 1.0 . 4.09 440 393 A 11 ILE HG13 A 10 THR HB 1.0 . 3.69 441 394 A 24 LYS HD3 A 24 LYS HA 1.0 . 3.80 442 395 A 12 VAL HG1% A 9 GLY HA2 1.0 . 5.50 443 396 A 20 ILE HD1% A 20 ILE HA 1.0 . 5.50 444 397 A 14 LYS HA A 14 LYS HG2 1.0 . 3.20 445 398 A 10 THR HB A 11 ILE HG2% 1.0 . 5.39 446 399 A 21 ALA HB% A 18 TYR HA 1.0 . 3.96 447 400 A 4 LYS HA A 4 LYS HG2 1.0 . 4.09 448 401 A 11 ILE HD1% A 9 GLY HA2 1.0 . 5.44 449 402 A 33 GLU H A 34 ILE HG13 1.0 . 4.54 450 403 A 32 TRP HE3 A 31 PRO HG2 1.0 . 5.14 451 404 A 33 GLU H A 31 PRO HG2 1.0 . 4.82 452 405 A 29 TYR HD% A 35 PRO HG3 1.0 . 4.37 453 406 A 31 PRO HD2 A 34 ILE HG13 1.0 . 5.50 454 407 A 15 LEU HD1% A 18 TYR HB2 1.0 . 5.50 455 407 A 18 TYR HB3 A 15 LEU HD1% 1.0 . 5.50 456 408 A 31 PRO HD2 A 34 ILE HG12 1.0 . 5.50 457 409 A 21 ALA HB% A 22 TRP HB2 1.0 . 5.50 458 410 A 19 GLU HG3 A 15 LEU HD1% 1.0 . 5.50 459 411 A 15 LEU HD2% A 18 TYR HB2 1.0 . 5.50 460 411 A 18 TYR HB3 A 15 LEU HD2% 1.0 . 5.50 461 412 A 31 PRO HD2 A 34 ILE HD1% 1.0 . 5.50 462 413 A 27 HIS HB3 A 29 TYR HE% 1.0 . 5.50 463 414 A 15 LEU H A 14 LYS HB3 1.0 . 5.50 464 415 A 15 LEU H A 14 LYS HB2 1.0 . 5.50 465 416 A 21 ALA HB% A 22 TRP H 1.0 . 5.50 466 417 A 21 ALA HB% A 23 PHE H 1.0 . 5.50 467 418 A 24 LYS H A 21 ALA HB% 1.0 . 5.50 468 419 A 20 ILE H A 19 GLU HB2 1.0 . 5.50 469 420 A 20 ILE H A 19 GLU HB3 1.0 . 5.50 470 421 A 19 GLU H A 19 GLU HG3 1.0 . 5.50 471 422 A 19 GLU H A 19 GLU HG2 1.0 . 5.50 472 423 A 22 TRP HB2 A 23 PHE H 1.0 . 5.50 473 424 A 16 THR H A 13 LYS HB2 1.0 . 5.50 474 424 A 16 THR H A 13 LYS HB3 1.0 . 5.50 475 425 A 20 ILE H A 18 TYR HB2 1.0 . 5.50 476 425 A 20 ILE H A 18 TYR HB3 1.0 . 5.50 477 426 A 11 ILE H A 10 THR HG2% 1.0 . 3.83 478 427 A 26 LYS H A 26 LYS HD2 1.0 . 4.15 479 427 A 26 LYS H A 26 LYS HD3 1.0 . 4.15 480 428 A 8 THR HA A 11 ILE HB 1.0 . 3.51 481 429 A 20 ILE HD1% A 16 THR HG2% 1.0 . 2.92 482 430 A 6 ASN HA A 7 PRO HG2 1.0 . 5.50 483 430 A 6 ASN HA A 7 PRO HG3 1.0 . 5.50 484 431 A 24 LYS HD3 A 29 TYR HA 1.0 . 5.22 485 432 A 20 ILE HG2% A 30 TYR HA 1.0 . 3.20 486 433 A 33 GLU HA A 34 ILE HG13 1.0 . 4.70 487 434 A 20 ILE HG13 A 16 THR HB 1.0 . 4.38 488 435 A 11 ILE HD1% A 7 PRO HA 1.0 . 5.50 489 436 A 20 ILE HG13 A 20 ILE HA 1.0 . 2.78 490 437 A 26 LYS HA A 26 LYS HD2 1.0 . 2.64 491 437 A 26 LYS HD3 A 26 LYS HA 1.0 . 2.64 492 438 A 4 LYS HB3 A 4 LYS HA 1.0 . 2.55 493 439 A 31 PRO HB2 A 32 TRP HA 1.0 . 5.50 494 440 A 17 GLN HA A 20 ILE HB 1.0 . 4.08 495 441 A 16 THR HA A 19 GLU HB3 1.0 . 3.86 496 442 A 16 THR HA A 19 GLU HG3 1.0 . 3.57 497 443 A 26 LYS HA A 25 ASN HB3 1.0 . 5.50 498 444 A 26 LYS HA A 26 LYS HE2 1.0 . 5.50 499 445 A 29 TYR HA A 24 LYS HE2 1.0 . 5.50 500 445 A 24 LYS HE3 A 29 TYR HA 1.0 . 5.50 501 446 A 6 ASN HB2 A 5 PHE HA 1.0 . 5.50 502 447 A 4 LYS HA A 5 PHE HB2 1.0 . 5.50 503 447 A 5 PHE HB3 A 4 LYS HA 1.0 . 5.50 504 448 A 10 THR HA A 13 LYS HE2 1.0 . 5.50 505 448 A 10 THR HA A 13 LYS HE3 1.0 . 5.50 506 449 A 10 THR HA A 14 LYS HE2 1.0 . 5.50 507 449 A 10 THR HA A 14 LYS HE3 1.0 . 5.50 508 450 A 13 LYS HA A 13 LYS HE2 1.0 . 5.50 509 450 A 13 LYS HA A 13 LYS HE3 1.0 . 5.50 510 451 A 8 THR HA A 6 ASN HB3 1.0 . 5.46 511 452 A 7 PRO HD2 A 6 ASN HB3 1.0 . 5.50 512 453 A 19 GLU HA A 18 TYR HB2 1.0 . 4.09 513 453 A 18 TYR HB3 A 19 GLU HA 1.0 . 4.09 514 454 A 36 ARG HA A 36 ARG HD2 1.0 . 4.41 515 454 A 36 ARG HA A 36 ARG HD3 1.0 . 4.41 516 455 A 33 GLU HG2 A 32 TRP HD1 1.0 . 5.50 517 456 A 32 TRP HZ3 A 33 GLU HG2 1.0 . 5.50 518 457 A 30 TYR HD% A 24 LYS HB2 1.0 . 5.50 519 457 A 24 LYS HB3 A 30 TYR HD% 1.0 . 5.50 520 458 A 31 PRO HG3 A 32 TRP HE3 1.0 . 5.50 521 459 A 29 TYR H A 29 TYR HB2 1.0 . 3.47 522 460 A 23 PHE HE% A 29 TYR HB2 1.0 . 5.50 523 461 A 6 ASN HB2 A 7 PRO HD3 1.0 . 5.50 524 462 A 17 GLN HA A 17 GLN HG3 1.0 . 3.62 525 463 A 16 THR HA A 19 GLU HG2 1.0 . 4.27 526 464 A 26 LYS HA A 25 ASN HB2 1.0 . 5.50 527 465 A 26 LYS HA A 26 LYS HE3 1.0 . 5.50 528 466 A 21 ALA HB% A 25 ASN HB2 1.0 . 5.50 529 467 A 20 ILE HD1% A 20 ILE HG2% 1.0 . 2.70 530 468 A 29 TYR HE% A 24 LYS HE2 1.0 . 5.50 531 468 A 29 TYR HE% A 24 LYS HE3 1.0 . 5.50 532 469 A 27 HIS HB2 A 29 TYR HE% 1.0 . 5.50 533 470 A 26 LYS H A 26 LYS HG3 1.0 . 5.50 534 471 A 16 THR HG2% A 18 TYR H 1.0 . 4.61 535 472 A 13 LYS HG2 A 14 LYS HE2 1.0 . 5.50 536 472 A 13 LYS HG2 A 14 LYS HE3 1.0 . 5.50 537 473 A 10 THR HG2% A 14 LYS HE2 1.0 . 5.50 538 473 A 10 THR HG2% A 14 LYS HE3 1.0 . 5.50 539 474 A 13 LYS HG3 A 13 LYS HB2 1.0 . 2.66 540 474 A 13 LYS HG3 A 13 LYS HB3 1.0 . 2.66 541 475 A 14 LYS HB3 A 14 LYS HG3 1.0 . 2.87 542 476 A 25 ASN H A 24 LYS HG2 1.0 . 3.84 543 476 A 25 ASN H A 24 LYS HG3 1.0 . 3.84 544 477 A 16 THR H A 14 LYS HD2 1.0 . 5.50 545 477 A 16 THR H A 14 LYS HD3 1.0 . 5.50 546 478 A 23 PHE HD% A 20 ILE HA 1.0 . 5.50 547 479 A 20 ILE H A 16 THR HG2% 1.0 . 4.23 548 480 A 19 GLU H A 16 THR HG2% 1.0 . 5.50 549 481 A 6 ASN HA A 5 PHE HB2 1.0 . 5.50 550 481 A 5 PHE HB3 A 6 ASN HA 1.0 . 5.50 551 482 A 32 TRP HA A 31 PRO HA 1.0 . 5.50 552 483 A 12 VAL H A 11 ILE HG13 1.0 . 5.02 553 484 A 26 LYS HB2 A 28 GLY H 1.0 . 5.38 554 485 A 12 VAL H A 8 THR HG2% 1.0 . 4.06 555 486 A 29 TYR HE% A 33 GLU HB2 1.0 . 5.50 556 487 A 29 TYR HE% A 33 GLU HB3 1.0 . 5.50 557 488 A 29 TYR HE% A 35 PRO HG3 1.0 . 5.50 558 489 A 33 GLU HG2 A 32 TRP HZ2 1.0 . 5.50 559 490 A 20 ILE HB A 30 TYR HE% 1.0 . 4.48 560 491 A 26 LYS HG2 A 25 ASN HB2 1.0 . 4.21 561 492 A 29 TYR HB3 A 34 ILE HD1% 1.0 . 4.64 562 493 A 29 TYR HB2 A 34 ILE HD1% 1.0 . 5.50 563 494 A 15 LEU HD1% A 19 GLU HG2 1.0 . 4.49 564 495 A 27 HIS H A 28 GLY H 1.0 . 2.40 565 496 A 22 TRP HE1 A 26 LYS HG3 1.0 . 5.50 566 497 A 22 TRP HE1 A 26 LYS HD2 1.0 . 5.50 567 497 A 26 LYS HD3 A 22 TRP HE1 1.0 . 5.50 568 498 A 3 PHE H A 2 LYS H 1.0 . 3.15 569 499 A 20 ILE HG2% A 20 ILE HG12 1.0 . 2.40 570 500 A 11 ILE HD1% A 7 PRO HB3 1.0 . 4.34 571 501 A 20 ILE HG13 A 16 THR HG2% 1.0 . 3.05 572 502 A 13 LYS HB3 A 13 LYS HD2 1.0 . 2.46 573 502 A 13 LYS HB2 A 13 LYS HD2 1.0 . 2.46 574 502 A 13 LYS HD3 A 13 LYS HB2 1.0 . 2.46 575 502 A 13 LYS HB3 A 13 LYS HD3 1.0 . 2.46 576 503 A 14 LYS HB2 A 14 LYS HG3 1.0 . 2.58 577 504 A 11 ILE HG2% A 15 LEU HD2% 1.0 . 2.49 578 505 A 34 ILE HG2% A 34 ILE HD1% 1.0 . 2.81 579 506 A 34 ILE HB A 34 ILE HD1% 1.0 . 2.40 580 507 A 16 THR HA A 19 GLU HB2 1.0 . 2.88 581 508 A 10 THR HG2% A 13 LYS HD2 1.0 . 2.97 582 508 A 10 THR HG2% A 13 LYS HD3 1.0 . 2.97 583 509 A 33 GLU HG2 A 33 GLU HB3 1.0 . 2.54 584 510 A 24 LYS HD3 A 24 LYS HB2 1.0 . 2.93 585 510 A 24 LYS HD3 A 24 LYS HB3 1.0 . 2.93 586 511 A 3 PHE HD% A 3 PHE HA 1.0 . 5.12 587 512 A 8 THR H A 7 PRO HG2 1.0 . 2.40 588 512 A 8 THR H A 7 PRO HG3 1.0 . 2.40 589 513 A 17 GLN H A 16 THR HB 1.0 . 3.00 590 514 A 5 PHE H A 4 LYS H 1.0 . 2.40 591 515 A 17 GLN H A 18 TYR H 1.0 . 2.85 592 516 A 13 LYS H A 12 VAL H 1.0 . 2.85 593 517 A 12 VAL HG1% A 16 THR H 1.0 . 5.15 594 518 A 20 ILE H A 21 ALA HB% 1.0 . 5.20 595 519 A 11 ILE HD1% A 8 THR H 1.0 . 3.75 596 520 A 26 LYS HB2 A 23 PHE HA 1.0 . 3.15 597 521 A 24 LYS H A 26 LYS HB2 1.0 . 5.50 598 522 A 29 TYR HB3 A 33 GLU HB2 1.0 . 4.76 599 523 A 36 ARG HE A 36 ARG HD2 1.0 . 2.54 600 523 A 36 ARG HD3 A 36 ARG HE 1.0 . 2.54 601 524 A 36 ARG H A 35 PRO HG2 1.0 . 3.98 602 525 A 14 LYS HA A 13 LYS HA 1.0 . 5.21 603 526 A 21 ALA HA A 24 LYS HA 1.0 . 5.50 604 527 A 6 ASN HB2 A 8 THR HB 1.0 . 5.50 605 528 A 12 VAL HA A 15 LEU HD2% 1.0 . 4.36 606 529 A 2 LYS H A 1 MET HG2 1.0 . 5.34 607 529 A 2 LYS H A 1 MET HG3 1.0 . 5.34 608 530 A 2 LYS HD3 A 2 LYS HG2 1.0 . 2.31 609 530 A 2 LYS HD2 A 2 LYS HG2 1.0 . 2.31 610 530 A 2 LYS HG3 A 2 LYS HD2 1.0 . 2.31 611 530 A 2 LYS HG3 A 2 LYS HD3 1.0 . 2.31 612 531 A 6 ASN HB2 A 6 ASN HD22 1.0 . 3.52 613 531 A 6 ASN HB2 A 6 ASN HD21 1.0 . 3.52 614 532 A 14 LYS HA A 17 GLN HB2 1.0 . 3.34 615 532 A 14 LYS HA A 17 GLN HB3 1.0 . 3.34 616 533 A 14 LYS HA A 17 GLN HG3 1.0 . 5.34 617 533 A 14 LYS HA A 17 GLN HG2 1.0 . 5.34 618 534 A 14 LYS HD3 A 17 GLN HE22 1.0 . 5.34 619 534 A 14 LYS HD2 A 17 GLN HE22 1.0 . 5.34 620 534 A 17 GLN HE21 A 14 LYS HD2 1.0 . 5.34 621 534 A 14 LYS HD3 A 17 GLN HE21 1.0 . 5.34 622 535 A 14 LYS HE3 A 17 GLN HE22 1.0 . 5.34 623 535 A 14 LYS HE2 A 17 GLN HE22 1.0 . 5.34 624 535 A 17 GLN HE21 A 14 LYS HE2 1.0 . 5.34 625 535 A 14 LYS HE3 A 17 GLN HE21 1.0 . 5.34 626 536 A 16 THR H A 17 GLN HB2 1.0 . 5.34 627 536 A 16 THR H A 17 GLN HB3 1.0 . 5.34 628 537 A 16 THR HG2% A 17 GLN HG3 1.0 . 5.34 629 537 A 16 THR HG2% A 17 GLN HG2 1.0 . 5.34 630 538 A 17 GLN H A 17 GLN HB2 1.0 . 2.72 631 538 A 17 GLN H A 17 GLN HB3 1.0 . 2.72 632 539 A 17 GLN H A 17 GLN HG3 1.0 . 5.15 633 539 A 17 GLN H A 17 GLN HG2 1.0 . 5.15 634 540 A 17 GLN HA A 17 GLN HB2 1.0 . 2.54 635 540 A 17 GLN HA A 17 GLN HB3 1.0 . 2.54 636 541 A 17 GLN HA A 17 GLN HG3 1.0 . 3.04 637 541 A 17 GLN HA A 17 GLN HG2 1.0 . 3.04 638 542 A 17 GLN HA A 17 GLN HE22 1.0 . 5.34 639 542 A 17 GLN HA A 17 GLN HE21 1.0 . 5.34 640 543 A 17 GLN HB3 A 17 GLN HE22 1.0 . 4.33 641 543 A 17 GLN HB2 A 17 GLN HE22 1.0 . 4.33 642 543 A 17 GLN HE21 A 17 GLN HB2 1.0 . 4.33 643 543 A 17 GLN HB3 A 17 GLN HE21 1.0 . 4.33 644 544 A 18 TYR H A 17 GLN HB2 1.0 . 3.29 645 544 A 18 TYR H A 17 GLN HB3 1.0 . 3.29 646 545 A 17 GLN HB2 A 18 TYR HB2 1.0 . 5.34 647 545 A 18 TYR HB3 A 17 GLN HB2 1.0 . 5.34 648 545 A 18 TYR HB3 A 17 GLN HB3 1.0 . 5.34 649 545 A 17 GLN HB3 A 18 TYR HB2 1.0 . 5.34 650 546 A 18 TYR HD% A 17 GLN HB2 1.0 . 4.70 651 546 A 18 TYR HD% A 17 GLN HB3 1.0 . 4.70 652 547 A 17 GLN HE21 A 17 GLN HG3 1.0 . 3.13 653 547 A 17 GLN HE22 A 17 GLN HG3 1.0 . 3.13 654 547 A 17 GLN HG2 A 17 GLN HE22 1.0 . 3.13 655 547 A 17 GLN HG2 A 17 GLN HE21 1.0 . 3.13 656 548 A 20 ILE HD1% A 17 GLN HG3 1.0 . 5.04 657 548 A 20 ILE HD1% A 17 GLN HG2 1.0 . 5.04 658 549 A 20 ILE HA A 23 PHE HB2 1.0 . 4.17 659 549 A 20 ILE HA A 23 PHE HB3 1.0 . 4.17 660 550 A 20 ILE HG2% A 23 PHE HB2 1.0 . 5.34 661 550 A 20 ILE HG2% A 23 PHE HB3 1.0 . 5.34 662 551 A 26 LYS HB2 A 23 PHE HB2 1.0 . 5.34 663 551 A 26 LYS HB2 A 23 PHE HB3 1.0 . 5.34 664 552 A 26 LYS H A 26 LYS HE3 1.0 . 5.34 665 552 A 26 LYS H A 26 LYS HE2 1.0 . 5.34 666 553 A 26 LYS HB2 A 26 LYS HE3 1.0 . 5.03 667 553 A 26 LYS HB2 A 26 LYS HE2 1.0 . 5.03 668 554 A 26 LYS HB3 A 26 LYS HE3 1.0 . 5.21 669 554 A 26 LYS HB3 A 26 LYS HE2 1.0 . 5.21 670 555 A 26 LYS HG2 A 26 LYS HE3 1.0 . 3.57 671 555 A 26 LYS HG2 A 26 LYS HE2 1.0 . 3.57 672 556 A 34 ILE H A 35 PRO HD2 1.0 . 4.88 673 556 A 34 ILE H A 35 PRO HD3 1.0 . 4.88 674 557 A 34 ILE HG2% A 35 PRO HD2 1.0 . 3.81 675 557 A 34 ILE HG2% A 35 PRO HD3 1.0 . 3.81 676 558 A 34 ILE HG12 A 35 PRO HD2 1.0 . 5.00 677 558 A 34 ILE HG12 A 35 PRO HD3 1.0 . 5.00 678 559 A 36 ARG H A 35 PRO HB2 1.0 . 2.71 679 559 A 36 ARG H A 35 PRO HB3 1.0 . 2.71 680 560 A 36 ARG H A 36 ARG HB2 1.0 . 3.51 681 560 A 36 ARG H A 36 ARG HB3 1.0 . 3.51 682 561 A 37 CYS H A 36 ARG HB2 1.0 . 2.58 683 561 A 37 CYS H A 36 ARG HB3 1.0 . 2.58 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 5 PHE C A 6 ASN N A 6 ASN CA A 6 ASN C 1.0 -103.7 -49.3 PHI 2 2 A 6 ASN N A 6 ASN CA A 6 ASN C A 7 PRO N 1.0 101.7 169.4 PSI 3 3 A 7 PRO C A 8 THR N A 8 THR CA A 8 THR C 1.0 -79.4 -58.0 PHI 4 4 A 8 THR N A 8 THR CA A 8 THR C A 9 GLY N 1.0 -52.4 -19.8 PSI 5 5 A 8 THR C A 9 GLY N A 9 GLY CA A 9 GLY C 1.0 -72.8 -52.8 PHI 6 6 A 9 GLY N A 9 GLY CA A 9 GLY C A 10 THR N 1.0 -53.6 -33.6 PSI 7 7 A 9 GLY C A 10 THR N A 10 THR CA A 10 THR C 1.0 -75.4 -55.4 PHI 8 8 A 10 THR N A 10 THR CA A 10 THR C A 11 ILE N 1.0 -50.7 -30.7 PSI 9 9 A 10 THR C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -74.3 -54.3 PHI 10 10 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 VAL N 1.0 -55.7 -35.7 PSI 11 11 A 11 ILE C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -74.0 -54.0 PHI 12 12 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 LYS N 1.0 -50.2 -30.2 PSI 13 13 A 12 VAL C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -76.4 -56.4 PHI 14 14 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 LYS N 1.0 -47.5 -27.5 PSI 15 15 A 13 LYS C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -78.8 -58.8 PHI 16 16 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 LEU N 1.0 -47.9 -27.9 PSI 17 17 A 14 LYS C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -73.4 -53.4 PHI 18 18 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 THR N 1.0 -52.9 -32.9 PSI 19 19 A 15 LEU C A 16 THR N A 16 THR CA A 16 THR C 1.0 -74.7 -54.7 PHI 20 20 A 16 THR N A 16 THR CA A 16 THR C A 17 GLN N 1.0 -50.6 -29.6 PSI 21 21 A 16 THR C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -76.0 -56.0 PHI 22 22 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 TYR N 1.0 -46.2 -21.2 PSI 23 23 A 17 GLN C A 18 TYR N A 18 TYR CA A 18 TYR C 1.0 -118.1 -39.9 PHI 24 24 A 18 TYR N A 18 TYR CA A 18 TYR C A 19 GLU N 1.0 -71.7 25.3 PSI 25 25 A 18 TYR C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -72.9 -52.9 PHI 26 26 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 ILE N 1.0 -49.1 -29.1 PSI 27 27 A 19 GLU C A 20 ILE N A 20 ILE CA A 20 ILE C 1.0 -73.6 -53.6 PHI 28 28 A 20 ILE N A 20 ILE CA A 20 ILE C A 21 ALA N 1.0 -54.9 -34.9 PSI 29 29 A 20 ILE C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -74.3 -54.3 PHI 30 30 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 TRP N 1.0 -50.3 -30.3 PSI 31 31 A 21 ALA C A 22 TRP N A 22 TRP CA A 22 TRP C 1.0 -72.0 -52.0 PHI 32 32 A 22 TRP N A 22 TRP CA A 22 TRP C A 23 PHE N 1.0 -55.4 -35.4 PSI 33 33 A 22 TRP C A 23 PHE N A 23 PHE CA A 23 PHE C 1.0 -75.9 -55.9 PHI 34 34 A 23 PHE N A 23 PHE CA A 23 PHE C A 24 LYS N 1.0 -50.2 -30.2 PSI 35 35 A 23 PHE C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -75.1 -55.1 PHI 36 36 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 ASN N 1.0 -48.8 -28.8 PSI 37 37 A 24 LYS C A 25 ASN N A 25 ASN CA A 25 ASN C 1.0 -79.5 -56.7 PHI 38 38 A 25 ASN N A 25 ASN CA A 25 ASN C A 26 LYS N 1.0 -48.1 -9.7 PSI 39 39 A 25 ASN C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -109.7 -55.9 PHI 40 40 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 HIS N 1.0 -30.7 12.3 PSI 41 41 A 27 HIS C A 28 GLY N A 28 GLY CA A 28 GLY C 1.0 75.4 98.7 PHI 42 42 A 28 GLY N A 28 GLY CA A 28 GLY C A 29 TYR N 1.0 -15.2 26.9 PSI 43 43 A 28 GLY C A 29 TYR N A 29 TYR CA A 29 TYR C 1.0 -124.9 -59.3 PHI 44 44 A 29 TYR N A 29 TYR CA A 29 TYR C A 30 TYR N 1.0 54.8 184.1 PSI 45 45 A 31 PRO C A 32 TRP N A 32 TRP CA A 32 TRP C 1.0 -88.2 -57.6 PHI 46 46 A 32 TRP N A 32 TRP CA A 32 TRP C A 33 GLU N 1.0 -35.6 3.5 PSI 47 47 A 33 GLU C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -100.6 -58.6 PHI 48 48 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 PRO N 1.0 105.5 148.1 PSI stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 LYS N A 2 LYS CA A 2 LYS CB A 2 LYS CG 1.0 -89.0 -38.2 CHI1 2 2 A 3 PHE N A 3 PHE CA A 3 PHE CB A 3 PHE CG 1.0 -83.8 -49.0 CHI1 3 3 A 5 PHE N A 5 PHE CA A 5 PHE CB A 5 PHE CG 1.0 -83.8 -50.2 CHI1 4 4 A 10 THR N A 10 THR CA A 10 THR CB A 10 THR OG1 1.0 -81.9 -47.1 CHI1 5 5 A 11 ILE N A 11 ILE CA A 11 ILE CB A 11 ILE CG1 1.0 -77.2 -55.6 CHI1 6 6 A 12 VAL N A 12 VAL CA A 12 VAL CB A 12 VAL CG1 1.0 161.6 190.0 CHI1 7 7 A 15 LEU N A 15 LEU CA A 15 LEU CB A 15 LEU CG 1.0 -81.8 -54.2 CHI1 8 8 A 16 THR N A 16 THR CA A 16 THR CB A 16 THR OG1 1.0 -77.2 -44.8 CHI1 9 9 A 18 TYR N A 18 TYR CA A 18 TYR CB A 18 TYR CG 1.0 -97.3 -48.1 CHI1 10 10 A 20 ILE N A 20 ILE CA A 20 ILE CB A 20 ILE CG1 1.0 -77.6 -58.4 CHI1 11 11 A 22 TRP N A 22 TRP CA A 22 TRP CB A 22 TRP CG 1.0 -199.8 -155.4 CHI1 12 12 A 25 ASN N A 25 ASN CA A 25 ASN CB A 25 ASN CG 1.0 -82.1 -59.3 CHI1 13 13 A 26 LYS N A 26 LYS CA A 26 LYS CB A 26 LYS CG 1.0 -83.7 -44.5 CHI1 14 14 A 27 HIS N A 27 HIS CA A 27 HIS CB A 27 HIS CG 1.0 -79.5 -52.3 CHI1 15 15 A 29 TYR N A 29 TYR CA A 29 TYR CB A 29 TYR CG 1.0 -80.9 -49.7 CHI1 16 16 A 30 TYR N A 30 TYR CA A 30 TYR CB A 30 TYR CG 1.0 -76.1 -41.3 CHI1 17 17 A 33 GLU N A 33 GLU CA A 33 GLU CB A 33 GLU CG 1.0 -76.0 -47.2 CHI1 18 18 A 34 ILE N A 34 ILE CA A 34 ILE CB A 34 ILE CG1 1.0 -72.2 -42.2 CHI1 stop_ save_