data_nef_c34153_5oay 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 5OAY stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 19 CYS SG 2 1 SF4 FE3 1 47 CYS SG 2 1 SF4 FE4 1 50 CYS SG 2 1 SF4 FE1 1 56 CYS SG 2 1 SF4 FE2 stop_ 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 -9 ALA start . . 2 A -8 GLY middle . false 3 A -7 GLU middle . . 4 A -6 ASN middle . . 5 A -5 LEU middle . . 6 A -4 TYR middle . . 7 A -3 PHE middle . . 8 A -2 GLN middle . . 9 A -1 GLY middle . false 10 A 0 ALA middle . . 11 A 1 MET middle . . 12 A 2 ASP middle . . 13 A 3 TRP middle . . 14 A 4 ARG middle . . 15 A 5 HIS middle . . 16 A 6 LYS middle . . 17 A 7 ALA middle . . 18 A 8 VAL middle . . 19 A 9 CYS middle -HG . 20 A 10 ARG middle . . 21 A 11 ASP middle . . 22 A 12 GLU middle . . 23 A 13 ASP middle . . 24 A 14 PRO middle . false 25 A 15 GLU middle . . 26 A 16 LEU middle . . 27 A 17 PHE middle . . 28 A 18 PHE middle . . 29 A 19 PRO middle . false 30 A 20 VAL middle . . 31 A 21 GLY middle . false 32 A 22 ASN middle . . 33 A 23 SER middle . . 34 A 24 GLY middle . false 35 A 25 PRO middle . false 36 A 26 ALA middle . . 37 A 27 LEU middle . . 38 A 28 ALA middle . . 39 A 29 GLN middle . . 40 A 30 ILE middle . . 41 A 31 ALA middle . . 42 A 32 ASP middle . . 43 A 33 ALA middle . . 44 A 34 LYS middle . . 45 A 35 LEU middle . . 46 A 36 VAL middle . . 47 A 37 CYS middle -HG . 48 A 38 ASN middle . . 49 A 39 ARG middle . . 50 A 40 CYS middle -HG . 51 A 41 PRO middle . false 52 A 42 VAL middle . . 53 A 43 THR middle . . 54 A 44 THR middle . . 55 A 45 GLU middle . . 56 A 46 CYS middle -HG . 57 A 47 LEU middle . . 58 A 48 SER middle . . 59 A 49 TRP middle . . 60 A 50 ALA middle . . 61 A 51 LEU middle . . 62 A 52 ASN middle . . 63 A 53 THR middle . . 64 A 54 GLY middle . false 65 A 55 GLN middle . . 66 A 56 ASP middle . . 67 A 57 SER middle . . 68 A 58 GLY middle . false 69 A 59 VAL middle . . 70 A 60 TRP middle . . 71 A 61 GLY middle . false 72 A 62 GLY middle . false 73 A 63 MET middle . . 74 A 64 SER middle . . 75 A 65 GLU middle . . 76 A 66 ASP middle . . 77 A 67 GLU middle . . 78 A 68 ARG middle . . 79 A 69 ARG middle . . 80 A 70 ALA middle . . 81 A 71 LEU middle . . 82 A 72 LYS middle . . 83 A 73 ARG middle . . 84 A 74 ARG middle . . 85 A 75 ASN middle . . 86 A 76 ALA middle . . 87 A 77 ARG middle . . 88 A 78 THR middle . . 89 A 79 LYS middle . . 90 A 80 ALA middle . . 91 A 81 ARG middle . . 92 A 82 THR middle . . 93 A 83 GLY middle . false 94 A 84 VAL end . . 95 B 1 SF4 . . . 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 -9 ALA H H 1 7.880 0.005 A -9 ALA HA H 1 4.330 0.005 A -9 ALA HB% H 1 1.550 0.005 A -9 ALA C C 13 179.362 0.050 A -9 ALA CA C 13 52.661 0.050 A -9 ALA CB C 13 19.087 0.050 A -9 ALA N N 15 123.531 0.050 A -8 GLY H H 1 7.712 0.005 A -8 GLY HAy H 1 3.890 0.005 A -8 GLY HAx H 1 3.790 0.005 A -8 GLY C C 13 174.294 0.050 A -8 GLY CA C 13 46.390 0.050 A -8 GLY N N 15 105.109 0.050 A -7 GLU H H 1 8.385 0.005 A -7 GLU HA H 1 4.270 0.005 A -7 GLU C C 13 176.459 0.050 A -7 GLU CA C 13 56.530 0.050 A -7 GLU N N 15 120.085 0.050 A -6 ASN H H 1 8.561 0.005 A -6 ASN HA H 1 4.470 0.005 A -6 ASN HBx H 1 2.730 0.005 A -6 ASN HBy H 1 2.730 0.005 A -6 ASN C C 13 175.023 0.050 A -6 ASN CA C 13 53.552 0.050 A -6 ASN CB C 13 38.214 0.050 A -6 ASN N N 15 119.735 0.050 A -5 LEU H H 1 7.900 0.005 A -5 LEU HA H 1 4.090 0.005 A -5 LEU HBx H 1 1.150 0.005 A -5 LEU HBy H 1 1.300 0.005 A -5 LEU HDx% H 1 0.610 0.005 A -5 LEU HDy% H 1 0.700 0.005 A -5 LEU HG H 1 1.250 0.005 A -5 LEU C C 13 176.716 0.050 A -5 LEU CA C 13 55.406 0.050 A -5 LEU CB C 13 42.151 0.050 A -5 LEU CDx C 13 23.300 0.050 A -5 LEU CDy C 13 24.700 0.050 A -5 LEU CG C 13 26.600 0.050 A -5 LEU N N 15 121.239 0.050 A -4 TYR H H 1 7.994 0.005 A -4 TYR HA H 1 4.420 0.005 A -4 TYR HBx H 1 2.750 0.005 A -4 TYR HBy H 1 2.900 0.005 A -4 TYR HD1 H 1 6.950 0.005 A -4 TYR HD2 H 1 6.950 0.005 A -4 TYR HE1 H 1 6.740 0.005 A -4 TYR HE2 H 1 6.740 0.005 A -4 TYR C C 13 175.573 0.050 A -4 TYR CA C 13 57.816 0.050 A -4 TYR CB C 13 38.175 0.050 A -4 TYR CD1 C 13 133.000 0.050 A -4 TYR CD2 C 13 133.000 0.050 A -4 TYR CE1 C 13 118.100 0.050 A -4 TYR CE2 C 13 118.100 0.050 A -4 TYR N N 15 118.927 0.050 A -3 PHE H H 1 7.846 0.005 A -3 PHE HA H 1 4.530 0.005 A -3 PHE HBx H 1 2.920 0.005 A -3 PHE HBy H 1 3.100 0.005 A -3 PHE HD1 H 1 7.100 0.005 A -3 PHE HD2 H 1 7.100 0.005 A -3 PHE C C 13 175.588 0.050 A -3 PHE CA C 13 57.633 0.050 A -3 PHE CB C 13 39.406 0.050 A -3 PHE CD1 C 13 131.700 0.050 A -3 PHE CD2 C 13 131.700 0.050 A -3 PHE N N 15 121.185 0.050 A -2 GLN H H 1 8.559 0.005 A -2 GLN HA H 1 4.560 0.005 A -2 GLN HBy H 1 2.140 0.005 A -2 GLN HBx H 1 1.930 0.005 A -2 GLN HGx H 1 2.300 0.005 A -2 GLN HGy H 1 2.300 0.005 A -2 GLN C C 13 176.193 0.050 A -2 GLN CA C 13 55.901 0.050 A -2 GLN CB C 13 28.849 0.050 A -2 GLN CG C 13 33.700 0.050 A -2 GLN N N 15 121.583 0.050 A -1 GLY H H 1 8.108 0.005 A -1 GLY HAx H 1 3.840 0.005 A -1 GLY HAy H 1 4.080 0.005 A -1 GLY C C 13 174.238 0.050 A -1 GLY CA C 13 45.317 0.050 A -1 GLY N N 15 109.719 0.050 A 0 ALA H H 1 8.306 0.005 A 0 ALA HA H 1 4.210 0.005 A 0 ALA HB% H 1 1.310 0.005 A 0 ALA C C 13 177.771 0.050 A 0 ALA CA C 13 52.950 0.050 A 0 ALA CB C 13 18.976 0.050 A 0 ALA N N 15 123.594 0.050 A 1 MET H H 1 8.287 0.005 A 1 MET HA H 1 4.310 0.005 A 1 MET HBx H 1 2.310 0.005 A 1 MET HBy H 1 2.310 0.005 A 1 MET HE% H 1 1.870 0.005 A 1 MET C C 13 176.370 0.050 A 1 MET CA C 13 54.925 0.050 A 1 MET CB C 13 31.983 0.050 A 1 MET CE C 13 16.740 0.050 A 1 MET N N 15 117.381 0.050 A 2 ASP H H 1 8.119 0.005 A 2 ASP HA H 1 4.350 0.005 A 2 ASP HBy H 1 2.740 0.005 A 2 ASP HBx H 1 2.590 0.005 A 2 ASP C C 13 177.492 0.050 A 2 ASP CA C 13 55.590 0.050 A 2 ASP CB C 13 41.963 0.050 A 2 ASP N N 15 121.987 0.050 A 3 TRP H H 1 7.828 0.005 A 3 TRP HA H 1 4.360 0.005 A 3 TRP HBy H 1 3.180 0.005 A 3 TRP HBx H 1 3.130 0.005 A 3 TRP HD1 H 1 7.450 0.005 A 3 TRP HE1 H 1 9.360 0.005 A 3 TRP HH2 H 1 7.380 0.005 A 3 TRP HZ2 H 1 6.820 0.005 A 3 TRP C C 13 177.458 0.050 A 3 TRP CA C 13 58.140 0.050 A 3 TRP CB C 13 27.843 0.050 A 3 TRP CD1 C 13 127.950 0.050 A 3 TRP CH2 C 13 126.000 0.050 A 3 TRP CZ2 C 13 114.500 0.050 A 3 TRP N N 15 121.691 0.050 A 3 TRP NE1 N 15 128.780 0.050 A 4 ARG H H 1 7.108 0.005 A 4 ARG HA H 1 5.010 0.005 A 4 ARG C C 13 178.635 0.050 A 4 ARG CA C 13 59.489 0.050 A 4 ARG CB C 13 28.628 0.050 A 4 ARG N N 15 120.492 0.050 A 5 HIS H H 1 7.686 0.005 A 5 HIS HA H 1 4.250 0.005 A 5 HIS HBx H 1 3.080 0.005 A 5 HIS HBy H 1 3.080 0.005 A 5 HIS HD2 H 1 7.000 0.005 A 5 HIS HE1 H 1 7.910 0.005 A 5 HIS C C 13 176.139 0.050 A 5 HIS CA C 13 58.264 0.050 A 5 HIS CB C 13 29.864 0.050 A 5 HIS CD2 C 13 119.900 0.050 A 5 HIS CE1 C 13 137.100 0.050 A 5 HIS N N 15 116.333 0.050 A 6 LYS H H 1 7.523 0.005 A 6 LYS HA H 1 4.300 0.005 A 6 LYS HBx H 1 1.840 0.005 A 6 LYS HBy H 1 1.840 0.005 A 6 LYS HDx H 1 1.610 0.005 A 6 LYS HDy H 1 1.610 0.005 A 6 LYS HEx H 1 2.920 0.005 A 6 LYS HEy H 1 2.920 0.005 A 6 LYS HGx H 1 1.270 0.005 A 6 LYS HGy H 1 1.330 0.005 A 6 LYS C C 13 175.708 0.050 A 6 LYS CA C 13 55.304 0.050 A 6 LYS CB C 13 33.462 0.050 A 6 LYS CD C 13 28.870 0.050 A 6 LYS CE C 13 41.700 0.050 A 6 LYS CG C 13 24.710 0.050 A 6 LYS N N 15 116.901 0.050 A 7 ALA H H 1 6.923 0.005 A 7 ALA C C 13 175.733 0.050 A 7 ALA CA C 13 55.977 0.050 A 7 ALA N N 15 122.000 0.050 A 9 CYS C C 13 174.895 0.050 A 10 ARG H H 1 6.679 0.005 A 10 ARG HA H 1 4.210 0.005 A 10 ARG HBy H 1 1.840 0.005 A 10 ARG HBx H 1 1.680 0.005 A 10 ARG C C 13 176.786 0.050 A 10 ARG CA C 13 58.649 0.050 A 10 ARG CB C 13 30.107 0.050 A 10 ARG N N 15 123.237 0.050 A 11 ASP H H 1 7.482 0.005 A 11 ASP HA H 1 4.870 0.005 A 11 ASP HBy H 1 2.930 0.005 A 11 ASP HBx H 1 2.580 0.005 A 11 ASP C C 13 175.832 0.050 A 11 ASP CA C 13 54.524 0.050 A 11 ASP CB C 13 40.935 0.050 A 11 ASP N N 15 115.919 0.050 A 12 GLU H H 1 7.571 0.005 A 12 GLU HA H 1 4.470 0.005 A 12 GLU HBx H 1 1.960 0.005 A 12 GLU HBy H 1 1.960 0.005 A 12 GLU HGy H 1 2.330 0.005 A 12 GLU HGx H 1 2.190 0.005 A 12 GLU C C 13 174.650 0.050 A 12 GLU CA C 13 53.984 0.050 A 12 GLU CB C 13 30.725 0.050 A 12 GLU CG C 13 36.830 0.050 A 12 GLU N N 15 118.943 0.050 A 13 ASP H H 1 8.880 0.005 A 13 ASP HA H 1 4.470 0.005 A 13 ASP HBy H 1 2.860 0.005 A 13 ASP HBx H 1 2.630 0.005 A 13 ASP C C 13 175.488 0.050 A 13 ASP CA C 13 51.535 0.050 A 13 ASP CB C 13 41.302 0.050 A 13 ASP N N 15 122.516 0.050 A 14 PRO HA H 1 4.610 0.005 A 14 PRO HBx H 1 2.170 0.005 A 14 PRO HBy H 1 2.170 0.005 A 14 PRO HDx H 1 3.880 0.005 A 14 PRO HDy H 1 3.880 0.005 A 14 PRO HGx H 1 1.990 0.005 A 14 PRO HGy H 1 1.990 0.005 A 14 PRO C C 13 178.759 0.050 A 14 PRO CA C 13 64.744 0.050 A 14 PRO CB C 13 32.641 0.050 A 14 PRO CD C 13 50.850 0.050 A 14 PRO CG C 13 27.400 0.050 A 15 GLU H H 1 8.161 0.005 A 15 GLU HA H 1 3.950 0.005 A 15 GLU HBx H 1 1.940 0.005 A 15 GLU HBy H 1 2.060 0.005 A 15 GLU HGx H 1 2.350 0.005 A 15 GLU HGy H 1 2.460 0.005 A 15 GLU C C 13 179.420 0.050 A 15 GLU CA C 13 58.226 0.050 A 15 GLU CB C 13 28.590 0.050 A 15 GLU CG C 13 33.750 0.050 A 15 GLU N N 15 112.380 0.050 A 16 LEU H H 1 7.951 0.005 A 16 LEU HA H 1 3.780 0.005 A 16 LEU HBx H 1 1.470 0.005 A 16 LEU HBy H 1 1.570 0.005 A 16 LEU HDx% H 1 0.540 0.005 A 16 LEU HDy% H 1 0.760 0.005 A 16 LEU C C 13 176.852 0.050 A 16 LEU CA C 13 57.682 0.050 A 16 LEU CB C 13 41.285 0.050 A 16 LEU CDy C 13 25.420 0.050 A 16 LEU CDx C 13 22.950 0.050 A 16 LEU CG C 13 26.400 0.050 A 16 LEU N N 15 121.424 0.050 A 17 PHE H H 1 7.031 0.005 A 17 PHE HA H 1 3.410 0.005 A 17 PHE HBx H 1 1.910 0.005 A 17 PHE HBy H 1 2.590 0.005 A 17 PHE HD1 H 1 7.210 0.005 A 17 PHE HD2 H 1 7.210 0.005 A 17 PHE HE1 H 1 6.920 0.005 A 17 PHE HE2 H 1 6.920 0.005 A 17 PHE C C 13 172.693 0.050 A 17 PHE CA C 13 58.475 0.050 A 17 PHE CB C 13 37.630 0.050 A 17 PHE CD1 C 13 127.700 0.050 A 17 PHE CD2 C 13 127.700 0.050 A 17 PHE CE1 C 13 130.900 0.050 A 17 PHE CE2 C 13 130.900 0.050 A 17 PHE N N 15 109.840 0.050 A 18 PHE H H 1 7.286 0.005 A 18 PHE HA H 1 4.730 0.005 A 18 PHE HBx H 1 3.170 0.005 A 18 PHE HBy H 1 3.170 0.005 A 18 PHE HD1 H 1 7.110 0.005 A 18 PHE HD2 H 1 7.110 0.005 A 18 PHE CA C 13 56.458 0.050 A 18 PHE CB C 13 39.573 0.050 A 18 PHE CD1 C 13 132.400 0.050 A 18 PHE CD2 C 13 132.400 0.050 A 18 PHE N N 15 115.925 0.050 A 19 PRO HA H 1 4.480 0.005 A 19 PRO HBy H 1 1.960 0.005 A 19 PRO HBx H 1 1.870 0.005 A 19 PRO C C 13 176.957 0.050 A 19 PRO CA C 13 63.104 0.050 A 19 PRO CB C 13 31.484 0.050 A 20 VAL H H 1 8.769 0.005 A 20 VAL HA H 1 4.240 0.005 A 20 VAL HB H 1 2.040 0.005 A 20 VAL HGx% H 1 0.953 0.005 A 20 VAL HGy% H 1 1.040 0.005 A 20 VAL C C 13 175.933 0.050 A 20 VAL CA C 13 62.145 0.050 A 20 VAL CB C 13 32.571 0.050 A 20 VAL CGy C 13 21.060 0.050 A 20 VAL CGx C 13 20.850 0.050 A 20 VAL N N 15 122.907 0.050 A 21 GLY H H 1 8.561 0.005 A 21 GLY HAy H 1 4.310 0.005 A 21 GLY HAx H 1 3.810 0.005 A 21 GLY C C 13 173.014 0.050 A 21 GLY CA C 13 44.456 0.050 A 21 GLY N N 15 114.075 0.050 A 22 ASN H H 1 8.268 0.005 A 22 ASN HA H 1 4.780 0.005 A 22 ASN HBx H 1 2.770 0.005 A 22 ASN HBy H 1 2.860 0.005 A 22 ASN C C 13 174.517 0.050 A 22 ASN CA C 13 51.985 0.050 A 22 ASN CB C 13 38.917 0.050 A 22 ASN N N 15 115.459 0.050 A 23 SER H H 1 7.923 0.005 A 23 SER HA H 1 4.610 0.005 A 23 SER HBx H 1 4.000 0.005 A 23 SER HBy H 1 4.070 0.005 A 23 SER C C 13 174.063 0.050 A 23 SER CA C 13 57.438 0.050 A 23 SER CB C 13 64.984 0.050 A 23 SER N N 15 113.446 0.050 A 24 GLY H H 1 9.065 0.005 A 24 GLY HAy H 1 4.290 0.005 A 24 GLY HAx H 1 3.820 0.005 A 24 GLY C C 13 175.172 0.050 A 24 GLY CA C 13 46.957 0.050 A 24 GLY N N 15 109.507 0.050 A 25 PRO HA H 1 4.370 0.005 A 25 PRO HBy H 1 2.410 0.005 A 25 PRO HBx H 1 1.970 0.005 A 25 PRO C C 13 178.590 0.050 A 25 PRO CA C 13 65.006 0.050 A 25 PRO CB C 13 31.844 0.050 A 26 ALA H H 1 7.549 0.005 A 26 ALA HA H 1 4.130 0.005 A 26 ALA HB% H 1 1.310 0.005 A 26 ALA C C 13 179.490 0.050 A 26 ALA CA C 13 54.938 0.050 A 26 ALA CB C 13 18.250 0.050 A 26 ALA N N 15 121.377 0.050 A 27 LEU H H 1 7.914 0.005 A 27 LEU HA H 1 3.990 0.005 A 27 LEU HBy H 1 1.820 0.005 A 27 LEU HBx H 1 1.500 0.005 A 27 LEU HDx% H 1 0.940 0.005 A 27 LEU HDy% H 1 0.850 0.005 A 27 LEU HG H 1 1.600 0.005 A 27 LEU C C 13 180.534 0.050 A 27 LEU CA C 13 57.793 0.050 A 27 LEU CB C 13 40.763 0.050 A 27 LEU CDy C 13 25.000 0.050 A 27 LEU CDx C 13 22.600 0.050 A 27 LEU CG C 13 26.000 0.050 A 27 LEU N N 15 116.879 0.050 A 28 ALA H H 1 7.767 0.005 A 28 ALA HA H 1 4.160 0.005 A 28 ALA HB% H 1 1.450 0.005 A 28 ALA C C 13 179.139 0.050 A 28 ALA CA C 13 54.502 0.050 A 28 ALA CB C 13 17.618 0.050 A 28 ALA N N 15 122.985 0.050 A 29 GLN H H 1 7.649 0.005 A 29 GLN C C 13 178.142 0.050 A 29 GLN CA C 13 59.062 0.050 A 29 GLN N N 15 120.096 0.050 A 30 ILE H H 1 8.356 0.005 A 30 ILE HA H 1 3.330 0.005 A 30 ILE HB H 1 1.900 0.005 A 30 ILE HD1% H 1 0.935 0.005 A 30 ILE HG1x H 1 0.750 0.005 A 30 ILE HG1y H 1 0.750 0.005 A 30 ILE HG2% H 1 0.842 0.005 A 30 ILE C C 13 177.296 0.050 A 30 ILE CA C 13 66.116 0.050 A 30 ILE CB C 13 38.202 0.050 A 30 ILE CD1 C 13 13.890 0.050 A 30 ILE CG1 C 13 27.000 0.050 A 30 ILE CG2 C 13 17.792 0.050 A 30 ILE N N 15 119.201 0.050 A 31 ALA H H 1 7.498 0.005 A 31 ALA HA H 1 3.980 0.005 A 31 ALA HB% H 1 1.490 0.005 A 31 ALA C C 13 180.415 0.050 A 31 ALA CA C 13 55.358 0.050 A 31 ALA CB C 13 17.489 0.050 A 31 ALA N N 15 120.443 0.050 A 32 ASP H H 1 7.951 0.005 A 32 ASP HA H 1 4.380 0.005 A 32 ASP HBy H 1 2.780 0.005 A 32 ASP HBx H 1 2.510 0.005 A 32 ASP C C 13 179.053 0.050 A 32 ASP CA C 13 57.343 0.050 A 32 ASP CB C 13 39.835 0.050 A 32 ASP N N 15 120.023 0.050 A 33 ALA H H 1 8.414 0.005 A 33 ALA HA H 1 3.480 0.005 A 33 ALA HB% H 1 0.950 0.005 A 33 ALA C C 13 179.430 0.050 A 33 ALA CA C 13 55.221 0.050 A 33 ALA CB C 13 17.252 0.050 A 33 ALA N N 15 125.145 0.050 A 34 LYS H H 1 8.373 0.005 A 34 LYS HA H 1 3.630 0.005 A 34 LYS HBx H 1 1.880 0.005 A 34 LYS HBy H 1 1.880 0.005 A 34 LYS HDx H 1 1.650 0.005 A 34 LYS HDy H 1 1.650 0.005 A 34 LYS C C 13 178.738 0.050 A 34 LYS CA C 13 61.209 0.050 A 34 LYS CB C 13 32.695 0.050 A 34 LYS N N 15 114.982 0.050 A 35 LEU H H 1 7.590 0.005 A 35 LEU HA H 1 4.090 0.005 A 35 LEU HBx H 1 1.560 0.005 A 35 LEU HBy H 1 1.980 0.005 A 35 LEU HDx% H 1 0.970 0.005 A 35 LEU HDy% H 1 0.910 0.005 A 35 LEU HG H 1 1.940 0.005 A 35 LEU C C 13 179.915 0.050 A 35 LEU CA C 13 57.885 0.050 A 35 LEU CB C 13 41.767 0.050 A 35 LEU CDy C 13 25.200 0.050 A 35 LEU CDx C 13 23.100 0.050 A 35 LEU CG C 13 25.700 0.050 A 35 LEU N N 15 118.402 0.050 A 36 VAL H H 1 7.488 0.005 A 36 VAL C C 13 178.079 0.050 A 36 VAL CA C 13 66.344 0.050 A 36 VAL CB C 13 30.987 0.050 A 36 VAL N N 15 121.030 0.050 A 37 CYS C C 13 177.507 0.050 A 37 CYS CA C 13 58.858 0.050 A 38 ASN H H 1 8.398 0.005 A 38 ASN HA H 1 4.780 0.005 A 38 ASN HBx H 1 2.970 0.005 A 38 ASN HBy H 1 2.970 0.005 A 38 ASN C C 13 176.662 0.050 A 38 ASN CA C 13 55.155 0.050 A 38 ASN CB C 13 38.800 0.050 A 38 ASN N N 15 116.142 0.050 A 39 ARG H H 1 7.871 0.005 A 39 ARG C C 13 175.930 0.050 A 39 ARG CA C 13 54.994 0.050 A 39 ARG CB C 13 30.159 0.050 A 39 ARG N N 15 116.929 0.050 A 40 CYS H H 1 7.966 0.005 A 40 CYS CA C 13 57.276 0.050 A 40 CYS N N 15 132.635 0.050 A 43 THR HA H 1 3.560 0.005 A 43 THR HB H 1 4.250 0.005 A 43 THR HG2% H 1 1.300 0.005 A 43 THR C C 13 177.483 0.050 A 43 THR CA C 13 56.644 0.050 A 43 THR CB C 13 68.168 0.050 A 43 THR CG2 C 13 22.060 0.050 A 44 THR H H 1 8.287 0.005 A 44 THR HA H 1 3.830 0.005 A 44 THR HB H 1 3.960 0.005 A 44 THR HG2% H 1 1.130 0.005 A 44 THR C C 13 176.753 0.050 A 44 THR CA C 13 66.743 0.050 A 44 THR CB C 13 68.072 0.050 A 44 THR CG2 C 13 21.560 0.050 A 44 THR N N 15 118.446 0.050 A 45 GLU H H 1 9.239 0.005 A 45 GLU C C 13 179.582 0.050 A 45 GLU CA C 13 60.925 0.050 A 45 GLU N N 15 126.243 0.050 A 46 CYS H H 1 7.816 0.005 A 46 CYS C C 13 175.093 0.050 A 46 CYS CA C 13 66.217 0.050 A 46 CYS N N 15 130.218 0.050 A 47 LEU H H 1 8.286 0.005 A 47 LEU HA H 1 3.890 0.005 A 47 LEU HBx H 1 1.570 0.005 A 47 LEU HBy H 1 1.570 0.005 A 47 LEU HDx% H 1 0.970 0.005 A 47 LEU HDy% H 1 1.000 0.005 A 47 LEU HG H 1 1.920 0.005 A 47 LEU C C 13 178.512 0.050 A 47 LEU CA C 13 57.958 0.050 A 47 LEU CB C 13 41.629 0.050 A 47 LEU CDx C 13 22.800 0.050 A 47 LEU CDy C 13 25.900 0.050 A 47 LEU CG C 13 26.770 0.050 A 47 LEU N N 15 117.300 0.050 A 48 SER H H 1 8.124 0.005 A 48 SER HA H 1 3.980 0.005 A 48 SER HBy H 1 3.890 0.005 A 48 SER HBx H 1 3.810 0.005 A 48 SER C C 13 176.269 0.050 A 48 SER CA C 13 61.831 0.050 A 48 SER CB C 13 62.663 0.050 A 48 SER N N 15 111.461 0.050 A 49 TRP H H 1 8.237 0.005 A 49 TRP HA H 1 4.190 0.005 A 49 TRP HBy H 1 3.810 0.005 A 49 TRP HBx H 1 3.520 0.005 A 49 TRP HD1 H 1 7.470 0.005 A 49 TRP HE1 H 1 10.490 0.005 A 49 TRP HH2 H 1 7.210 0.005 A 49 TRP HZ2 H 1 7.520 0.005 A 49 TRP HZ3 H 1 7.680 0.005 A 49 TRP C C 13 179.620 0.050 A 49 TRP CA C 13 62.197 0.050 A 49 TRP CB C 13 29.061 0.050 A 49 TRP CD1 C 13 127.250 0.050 A 49 TRP CH2 C 13 124.760 0.050 A 49 TRP CZ2 C 13 115.250 0.050 A 49 TRP CZ3 C 13 120.000 0.050 A 49 TRP N N 15 122.360 0.050 A 49 TRP NE1 N 15 130.500 0.050 A 50 ALA H H 1 8.525 0.005 A 50 ALA HA H 1 3.090 0.005 A 50 ALA HB% H 1 1.070 0.005 A 50 ALA C C 13 180.233 0.050 A 50 ALA CA C 13 55.094 0.050 A 50 ALA CB C 13 17.198 0.050 A 50 ALA N N 15 123.008 0.050 A 51 LEU H H 1 8.460 0.005 A 51 LEU HA H 1 3.990 0.005 A 51 LEU HBy H 1 1.830 0.005 A 51 LEU HBx H 1 1.380 0.005 A 51 LEU HDx% H 1 0.800 0.005 A 51 LEU HDy% H 1 0.840 0.005 A 51 LEU HG H 1 1.800 0.005 A 51 LEU C C 13 180.226 0.050 A 51 LEU CA C 13 57.302 0.050 A 51 LEU CB C 13 41.840 0.050 A 51 LEU CDy C 13 26.000 0.050 A 51 LEU CDx C 13 22.800 0.050 A 51 LEU CG C 13 26.600 0.050 A 51 LEU N N 15 117.023 0.050 A 52 ASN H H 1 8.566 0.005 A 52 ASN HA H 1 4.410 0.005 A 52 ASN HBy H 1 2.800 0.005 A 52 ASN HBx H 1 2.630 0.005 A 52 ASN C C 13 177.252 0.050 A 52 ASN CA C 13 55.516 0.050 A 52 ASN CB C 13 38.653 0.050 A 52 ASN N N 15 117.098 0.050 A 53 THR H H 1 7.595 0.005 A 53 THR HA H 1 3.830 0.005 A 53 THR HB H 1 4.190 0.005 A 53 THR HG2% H 1 0.140 0.005 A 53 THR C C 13 175.090 0.050 A 53 THR CA C 13 61.450 0.050 A 53 THR CB C 13 69.005 0.050 A 53 THR CG2 C 13 19.140 0.050 A 53 THR N N 15 107.192 0.050 A 54 GLY H H 1 7.076 0.005 A 54 GLY HAx H 1 3.720 0.005 A 54 GLY HAy H 1 3.720 0.005 A 54 GLY C C 13 175.374 0.050 A 54 GLY CA C 13 47.102 0.050 A 54 GLY N N 15 109.967 0.050 A 55 GLN H H 1 7.938 0.005 A 55 GLN HA H 1 4.280 0.005 A 55 GLN C C 13 175.335 0.050 A 55 GLN CA C 13 53.093 0.050 A 55 GLN N N 15 116.716 0.050 A 56 ASP H H 1 8.212 0.005 A 56 ASP HA H 1 4.590 0.005 A 56 ASP HBy H 1 2.640 0.005 A 56 ASP HBx H 1 2.620 0.005 A 56 ASP C C 13 175.332 0.050 A 56 ASP CA C 13 55.221 0.050 A 56 ASP CB C 13 41.460 0.050 A 56 ASP N N 15 127.180 0.050 A 57 SER H H 1 7.937 0.005 A 57 SER HA H 1 5.010 0.005 A 57 SER HBx H 1 4.040 0.005 A 57 SER HBy H 1 4.040 0.005 A 57 SER C C 13 175.041 0.050 A 57 SER CA C 13 56.983 0.050 A 57 SER CB C 13 65.824 0.050 A 57 SER N N 15 112.521 0.050 A 58 GLY H H 1 9.232 0.005 A 58 GLY HAy H 1 3.980 0.005 A 58 GLY HAx H 1 3.690 0.005 A 58 GLY C C 13 173.901 0.050 A 58 GLY CA C 13 45.310 0.050 A 58 GLY N N 15 111.277 0.050 A 59 VAL H H 1 8.992 0.005 A 59 VAL HA H 1 3.420 0.005 A 59 VAL HB H 1 2.270 0.005 A 59 VAL HGx% H 1 0.970 0.005 A 59 VAL HGy% H 1 1.025 0.005 A 59 VAL C C 13 173.584 0.050 A 59 VAL CA C 13 63.069 0.050 A 59 VAL CB C 13 32.267 0.050 A 59 VAL CGx C 13 19.290 0.050 A 59 VAL CGy C 13 20.630 0.050 A 59 VAL N N 15 123.161 0.050 A 60 TRP H H 1 7.986 0.005 A 60 TRP HA H 1 4.360 0.005 A 60 TRP HD1 H 1 6.970 0.005 A 60 TRP HE1 H 1 10.390 0.005 A 60 TRP HH2 H 1 7.460 0.005 A 60 TRP HZ2 H 1 7.910 0.005 A 60 TRP HZ3 H 1 7.200 0.005 A 60 TRP C C 13 177.551 0.050 A 60 TRP CA C 13 61.062 0.050 A 60 TRP CB C 13 33.168 0.050 A 60 TRP CD1 C 13 127.700 0.050 A 60 TRP CH2 C 13 124.300 0.050 A 60 TRP CZ2 C 13 114.300 0.050 A 60 TRP CZ3 C 13 124.690 0.050 A 60 TRP N N 15 123.965 0.050 A 60 TRP NE1 N 15 130.200 0.050 A 62 GLY C C 13 173.178 0.050 A 62 GLY CA C 13 48.227 0.050 A 63 MET H H 1 8.178 0.005 A 63 MET HA H 1 5.150 0.005 A 63 MET HBx H 1 2.060 0.005 A 63 MET HBy H 1 2.060 0.005 A 63 MET HGx H 1 2.560 0.005 A 63 MET HGy H 1 2.660 0.005 A 63 MET C C 13 176.017 0.050 A 63 MET CA C 13 54.711 0.050 A 63 MET CB C 13 37.545 0.050 A 63 MET CG C 13 33.570 0.050 A 63 MET N N 15 117.504 0.050 A 64 SER H H 1 9.725 0.005 A 64 SER HA H 1 4.440 0.005 A 64 SER C C 13 174.853 0.050 A 64 SER CA C 13 57.180 0.050 A 64 SER CB C 13 65.446 0.050 A 64 SER N N 15 120.117 0.050 A 65 GLU H H 1 9.490 0.005 A 65 GLU HA H 1 4.010 0.005 A 65 GLU C C 13 179.486 0.050 A 65 GLU CA C 13 59.782 0.050 A 65 GLU CB C 13 28.524 0.050 A 65 GLU N N 15 121.752 0.050 A 66 ASP H H 1 8.482 0.005 A 66 ASP HA H 1 4.430 0.005 A 66 ASP HBx H 1 2.540 0.005 A 66 ASP HBy H 1 2.640 0.005 A 66 ASP C C 13 179.230 0.050 A 66 ASP CA C 13 57.562 0.050 A 66 ASP N N 15 120.126 0.050 A 67 GLU H H 1 7.768 0.005 A 67 GLU HA H 1 4.050 0.005 A 67 GLU C C 13 180.284 0.050 A 67 GLU CA C 13 59.026 0.050 A 67 GLU N N 15 121.395 0.050 A 68 ARG H H 1 8.304 0.005 A 68 ARG HA H 1 4.090 0.005 A 68 ARG C C 13 178.123 0.050 A 68 ARG CA C 13 60.620 0.050 A 68 ARG CB C 13 29.274 0.050 A 68 ARG N N 15 118.113 0.050 A 69 ARG H H 1 7.840 0.005 A 69 ARG HA H 1 3.980 0.005 A 69 ARG HBy H 1 2.010 0.005 A 69 ARG HBx H 1 1.890 0.005 A 69 ARG C C 13 178.925 0.050 A 69 ARG CA C 13 60.049 0.050 A 69 ARG CB C 13 29.977 0.050 A 69 ARG N N 15 119.609 0.050 A 70 ALA H H 1 7.662 0.005 A 70 ALA HA H 1 4.130 0.005 A 70 ALA HB% H 1 1.490 0.005 A 70 ALA C C 13 179.769 0.050 A 70 ALA CA C 13 54.551 0.050 A 70 ALA CB C 13 17.881 0.050 A 70 ALA N N 15 120.480 0.050 A 71 LEU H H 1 7.668 0.005 A 71 LEU HA H 1 4.080 0.005 A 71 LEU HBx H 1 1.740 0.005 A 71 LEU HBy H 1 1.840 0.005 A 71 LEU HDx% H 1 0.950 0.005 A 71 LEU HDy% H 1 0.910 0.005 A 71 LEU HG H 1 1.690 0.005 A 71 LEU C C 13 178.516 0.050 A 71 LEU CA C 13 57.580 0.050 A 71 LEU CB C 13 42.158 0.050 A 71 LEU CDx C 13 24.700 0.050 A 71 LEU CDy C 13 25.100 0.050 A 71 LEU CG C 13 26.700 0.050 A 71 LEU N N 15 120.534 0.050 A 72 LYS H H 1 8.075 0.005 A 72 LYS HA H 1 4.030 0.005 A 72 LYS HBx H 1 1.880 0.005 A 72 LYS HBy H 1 1.880 0.005 A 72 LYS C C 13 178.839 0.050 A 72 LYS CA C 13 59.034 0.050 A 72 LYS CB C 13 32.200 0.050 A 72 LYS N N 15 119.127 0.050 A 73 ARG H H 1 7.847 0.005 A 73 ARG HA H 1 4.160 0.005 A 73 ARG HBy H 1 1.900 0.005 A 73 ARG HBx H 1 1.800 0.005 A 73 ARG HDx H 1 3.200 0.005 A 73 ARG HDy H 1 3.200 0.005 A 73 ARG HGx H 1 1.620 0.005 A 73 ARG HGy H 1 1.710 0.005 A 73 ARG C C 13 178.002 0.050 A 73 ARG CA C 13 58.100 0.050 A 73 ARG CB C 13 30.209 0.050 A 73 ARG CD C 13 43.300 0.050 A 73 ARG CG C 13 26.700 0.050 A 73 ARG N N 15 119.025 0.050 A 74 ARG H H 1 8.058 0.005 A 74 ARG HA H 1 4.140 0.005 A 74 ARG HBx H 1 1.920 0.005 A 74 ARG HBy H 1 1.920 0.005 A 74 ARG C C 13 177.873 0.050 A 74 ARG CA C 13 58.105 0.050 A 74 ARG CB C 13 30.113 0.050 A 74 ARG N N 15 120.470 0.050 A 75 ASN H H 1 8.389 0.005 A 75 ASN HA H 1 4.600 0.005 A 75 ASN HBx H 1 2.680 0.005 A 75 ASN HBy H 1 2.830 0.005 A 75 ASN C C 13 175.999 0.050 A 75 ASN CA C 13 53.856 0.050 A 75 ASN CB C 13 38.309 0.050 A 75 ASN N N 15 118.754 0.050 A 76 ALA H H 1 7.963 0.005 A 76 ALA HA H 1 4.260 0.005 A 76 ALA HB% H 1 1.460 0.005 A 76 ALA C C 13 178.460 0.050 A 76 ALA CA C 13 53.334 0.050 A 76 ALA CB C 13 18.710 0.050 A 76 ALA N N 15 123.200 0.050 A 77 ARG H H 1 8.075 0.005 A 77 ARG HA H 1 4.320 0.005 A 77 ARG HBy H 1 1.940 0.005 A 77 ARG HBx H 1 1.880 0.005 A 77 ARG C C 13 177.144 0.050 A 77 ARG CA C 13 56.761 0.050 A 77 ARG CB C 13 30.367 0.050 A 77 ARG N N 15 119.026 0.050 A 78 THR H H 1 8.062 0.005 A 78 THR HA H 1 4.250 0.005 A 78 THR HB H 1 4.250 0.005 A 78 THR HG2% H 1 1.190 0.005 A 78 THR C C 13 174.815 0.050 A 78 THR CA C 13 62.486 0.050 A 78 THR CB C 13 69.579 0.050 A 78 THR CG2 C 13 21.550 0.050 A 78 THR N N 15 114.814 0.050 A 79 LYS H H 1 8.224 0.005 A 79 LYS HA H 1 4.280 0.005 A 79 LYS HBy H 1 1.840 0.005 A 79 LYS HBx H 1 1.780 0.005 A 79 LYS C C 13 176.461 0.050 A 79 LYS CA C 13 56.526 0.050 A 79 LYS CB C 13 32.697 0.050 A 79 LYS N N 15 123.629 0.050 A 80 ALA H H 1 8.232 0.005 A 80 ALA HA H 1 4.280 0.005 A 80 ALA HB% H 1 1.410 0.005 A 80 ALA C C 13 177.800 0.050 A 80 ALA CA C 13 52.548 0.050 A 80 ALA CB C 13 18.990 0.050 A 80 ALA N N 15 124.872 0.050 A 81 ARG H H 1 8.327 0.005 A 81 ARG HA H 1 4.390 0.005 A 81 ARG HBx H 1 1.780 0.005 A 81 ARG HBy H 1 1.880 0.005 A 81 ARG HDx H 1 2.840 0.005 A 81 ARG HDy H 1 3.190 0.005 A 81 ARG HGx H 1 1.620 0.005 A 81 ARG HGy H 1 1.670 0.005 A 81 ARG C C 13 176.563 0.050 A 81 ARG CA C 13 56.151 0.050 A 81 ARG CB C 13 30.577 0.050 A 81 ARG CD C 13 43.220 0.050 A 81 ARG CG C 13 27.110 0.050 A 81 ARG N N 15 120.331 0.050 A 82 THR H H 1 8.209 0.005 A 82 THR HA H 1 4.390 0.005 A 82 THR HB H 1 4.250 0.005 A 82 THR HG2% H 1 1.220 0.005 A 82 THR C C 13 175.058 0.050 A 82 THR CA C 13 61.809 0.050 A 82 THR CB C 13 69.784 0.050 A 82 THR CG2 C 13 21.440 0.050 A 82 THR N N 15 114.600 0.050 A 83 GLY H H 1 8.442 0.005 A 83 GLY HAx H 1 3.950 0.005 A 83 GLY HAy H 1 4.070 0.005 A 83 GLY C C 13 173.255 0.050 A 83 GLY CA C 13 45.352 0.050 A 83 GLY N N 15 111.727 0.050 A 84 VAL H H 1 7.630 0.005 A 84 VAL HA H 1 4.080 0.005 A 84 VAL HB H 1 2.110 0.005 A 84 VAL HGx% H 1 0.850 0.005 A 84 VAL HGy% H 1 0.890 0.005 A 84 VAL C C 13 181.186 0.050 A 84 VAL CA C 13 63.526 0.050 A 84 VAL CB C 13 32.810 0.050 A 84 VAL CGx C 13 19.910 0.050 A 84 VAL CGy C 13 21.520 0.050 A 84 VAL N N 15 122.733 0.050 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 16 LEU HDx% A 63 MET HBx 1.0 1.8 4.5 2 1 A 16 LEU HDy% A 63 MET HBx 1.0 1.8 4.5 3 1 A 63 MET HBy A 16 LEU HDy% 1.0 1.8 4.5 4 1 A 16 LEU HDx% A 63 MET HBy 1.0 1.8 4.5 5 2 A 20 VAL H A 26 ALA HB% 1.0 1.8 4.5 6 3 A 16 LEU HDx% A 32 ASP H 1.0 1.8 4.5 7 4 A 32 ASP H A 16 LEU HDy% 1.0 1.8 4.5 8 5 A 16 LEU HDx% A 33 ALA H 1.0 1.8 3.5 9 6 A 33 ALA H A 16 LEU HDy% 1.0 1.8 3.5 10 7 A 33 ALA HA A 16 LEU HDy% 1.0 1.8 4.5 11 7 A 16 LEU HDx% A 33 ALA HA 1.0 1.8 4.5 12 8 A 16 LEU HDx% A 33 ALA HB% 1.0 1.8 4.0 13 9 A 33 ALA HB% A 16 LEU HDy% 1.0 1.8 4.0 14 10 A 30 ILE HG2% A 13 ASP HBy 1.0 1.8 3.5 15 10 A 30 ILE HG2% A 13 ASP HBx 1.0 1.8 3.5 16 11 A 30 ILE H A 15 GLU HBx 1.0 1.8 3.0 17 11 A 30 ILE H A 15 GLU HBy 1.0 1.8 3.0 18 12 A 49 TRP HE1 A 53 THR HG2% 1.0 1.8 4.5 19 13 A 53 THR HG2% A 49 TRP HZ2 1.0 1.8 4.5 20 14 A 50 ALA HA A 55 GLN H 1.0 1.8 3.0 21 15 A 55 GLN H A 50 ALA HB% 1.0 1.8 3.5 22 16 A 16 LEU HDx% A 63 MET HGx 1.0 1.8 3.5 23 16 A 16 LEU HDy% A 63 MET HGx 1.0 1.8 3.5 24 16 A 63 MET HGy A 16 LEU HDy% 1.0 1.8 3.5 25 16 A 16 LEU HDx% A 63 MET HGy 1.0 1.8 3.5 26 17 A 71 LEU HA A 35 LEU HDx% 1.0 1.8 5.5 27 17 A 71 LEU HA A 35 LEU HDy% 1.0 1.8 5.5 28 18 A 35 LEU HDx% A 71 LEU HBx 1.0 1.8 5.5 29 18 A 35 LEU HDy% A 71 LEU HBx 1.0 1.8 5.5 30 18 A 71 LEU HBy A 35 LEU HDx% 1.0 1.8 5.5 31 18 A 35 LEU HDy% A 71 LEU HBy 1.0 1.8 5.5 32 19 A 27 LEU HDy% A 71 LEU HBx 1.0 1.8 5.5 33 19 A 27 LEU HDx% A 71 LEU HBx 1.0 1.8 5.5 34 19 A 71 LEU HBy A 27 LEU HDy% 1.0 1.8 5.5 35 19 A 71 LEU HBy A 27 LEU HDx% 1.0 1.8 5.5 36 20 A 26 ALA HB% A 70 ALA HA 1.0 1.8 5.0 37 21 A -8 GLY H A -7 GLU H 1.0 1.8 3.0 38 22 A -4 TYR H A -3 PHE H 1.0 1.8 3.0 39 23 A 1 MET H A 2 ASP H 1.0 1.8 4.0 40 24 A 2 ASP H A 3 TRP H 1.0 1.8 4.0 41 25 A 3 TRP H A 4 ARG H 1.0 1.8 3.0 42 26 A 5 HIS H A 6 LYS H 1.0 1.8 3.0 43 27 A 6 LYS H A 7 ALA H 1.0 1.8 3.0 44 28 A 11 ASP H A 12 GLU H 1.0 1.8 3.0 45 29 A 12 GLU H A 13 ASP H 1.0 1.8 4.0 46 30 A 15 GLU H A 16 LEU H 1.0 1.8 3.0 47 31 A 26 ALA H A 27 LEU H 1.0 1.8 3.0 48 32 A 27 LEU H A 28 ALA H 1.0 1.8 3.0 49 33 A 28 ALA H A 29 GLN H 1.0 1.8 3.0 50 34 A 30 ILE H A 29 GLN H 1.0 1.8 3.0 51 35 A 30 ILE H A 31 ALA H 1.0 1.8 3.0 52 36 A 32 ASP H A 31 ALA H 1.0 1.8 3.0 53 37 A 32 ASP H A 33 ALA H 1.0 1.8 3.0 54 38 A 33 ALA H A 34 LYS H 1.0 1.8 3.0 55 39 A 34 LYS H A 35 LEU H 1.0 1.8 3.0 56 40 A 35 LEU H A 36 VAL H 1.0 1.8 3.0 57 41 A 44 THR H A 45 GLU H 1.0 1.8 3.0 58 42 A 48 SER H A 49 TRP H 1.0 1.8 3.0 59 43 A 49 TRP H A 50 ALA H 1.0 1.8 3.0 60 44 A 50 ALA H A 51 LEU H 1.0 1.8 3.0 61 45 A 51 LEU H A 52 ASN H 1.0 1.8 3.0 62 46 A 52 ASN H A 53 THR H 1.0 1.8 3.0 63 47 A 53 THR H A 54 GLY H 1.0 1.8 3.0 64 48 A 55 GLN H A 54 GLY H 1.0 1.8 3.0 65 49 A 64 SER H A 65 GLU H 1.0 2.2 4.4 66 50 A 65 GLU H A 66 ASP H 1.0 1.8 3.0 67 51 A 66 ASP H A 67 GLU H 1.0 1.8 3.0 68 52 A 67 GLU H A 68 ARG H 1.0 1.8 3.0 69 53 A 68 ARG H A 69 ARG H 1.0 1.8 3.0 70 54 A 69 ARG H A 70 ALA H 1.0 1.8 3.0 71 55 A 71 LEU H A 72 LYS H 1.0 1.8 3.0 72 56 A 72 LYS H A 73 ARG H 1.0 1.8 3.0 73 57 A 73 ARG H A 74 ARG H 1.0 1.8 4.0 74 58 A -8 GLY H A -9 ALA HA 1.0 2.2 3.4 75 59 A -7 GLU H A -8 GLY HAy 1.0 2.2 3.4 76 59 A -7 GLU H A -8 GLY HAx 1.0 2.2 3.4 77 60 A -7 GLU HA A -6 ASN H 1.0 2.2 3.4 78 61 A -6 ASN HA A -5 LEU H 1.0 2.2 3.4 79 62 A -5 LEU H A -6 ASN HBx 1.0 1.8 3.0 80 62 A -5 LEU H A -6 ASN HBy 1.0 1.8 3.0 81 63 A -4 TYR H A -5 LEU HBx 1.0 1.8 3.0 82 63 A -4 TYR H A -5 LEU HBy 1.0 1.8 3.0 83 64 A -3 PHE H A -4 TYR HA 1.0 2.2 3.4 84 65 A -3 PHE H A -4 TYR HBx 1.0 1.8 3.0 85 65 A -3 PHE H A -4 TYR HBy 1.0 1.8 3.0 86 66 A -3 PHE H A -4 TYR HD% 1.0 1.8 4.0 87 67 A 1 MET H A 0 ALA HA 1.0 2.2 3.4 88 68 A 1 MET H A 0 ALA HB% 1.0 1.8 4.5 89 69 A 3 TRP H A 2 ASP HBy 1.0 1.8 4.0 90 69 A 3 TRP H A 2 ASP HBx 1.0 1.8 4.0 91 70 A 4 ARG H A 3 TRP HA 1.0 1.8 4.0 92 71 A 6 LYS H A 5 HIS HBx 1.0 1.8 4.0 93 71 A 6 LYS H A 5 HIS HBy 1.0 1.8 4.0 94 72 A 11 ASP H A 10 ARG HA 1.0 2.2 3.4 95 73 A 12 GLU H A 11 ASP HA 1.0 2.2 3.4 96 74 A 13 ASP H A 12 GLU HA 1.0 1.8 5.0 97 75 A 13 ASP H A 12 GLU HBx 1.0 1.8 3.0 98 75 A 13 ASP H A 12 GLU HBy 1.0 1.8 3.0 99 76 A 13 ASP H A 12 GLU HGy 1.0 1.8 3.0 100 76 A 13 ASP H A 12 GLU HGx 1.0 1.8 3.0 101 77 A 16 LEU H A 15 GLU HBx 1.0 1.8 3.0 102 77 A 15 GLU HBy A 16 LEU H 1.0 1.8 3.0 103 78 A 17 PHE H A 16 LEU HBx 1.0 1.8 3.5 104 78 A 16 LEU HBy A 17 PHE H 1.0 1.8 3.5 105 79 A 17 PHE HA A 18 PHE H 1.0 2.2 3.4 106 80 A 20 VAL H A 19 PRO HA 1.0 2.2 3.4 107 81 A 20 VAL HA A 21 GLY H 1.0 2.2 3.4 108 82 A 21 GLY H A 20 VAL HB 1.0 1.8 4.0 109 83 A 21 GLY H A 20 VAL HGx% 1.0 1.8 3.5 110 83 A 21 GLY H A 20 VAL HGy% 1.0 1.8 3.5 111 84 A 22 ASN H A 21 GLY HAy 1.0 2.2 3.4 112 84 A 21 GLY HAx A 22 ASN H 1.0 2.2 3.4 113 85 A 23 SER HA A 24 GLY H 1.0 2.2 3.4 114 86 A 26 ALA H A 25 PRO HA 1.0 2.2 3.4 115 87 A 26 ALA H A 25 PRO HBy 1.0 1.8 3.0 116 87 A 26 ALA H A 25 PRO HBx 1.0 1.8 3.0 117 88 A 26 ALA HB% A 27 LEU H 1.0 1.8 3.5 118 89 A 26 ALA HB% A 27 LEU HDx% 1.0 1.8 4.0 119 90 A 26 ALA HB% A 27 LEU HDy% 1.0 1.8 4.0 120 91 A 27 LEU H A 26 ALA HA 1.0 2.2 3.4 121 92 A 28 ALA H A 27 LEU HA 1.0 2.2 3.4 122 93 A 28 ALA H A 27 LEU HBy 1.0 1.8 3.0 123 93 A 28 ALA H A 27 LEU HBx 1.0 1.8 3.0 124 94 A 28 ALA H A 27 LEU HDy% 1.0 1.8 4.5 125 94 A 27 LEU HDx% A 28 ALA H 1.0 1.8 4.5 126 95 A 29 GLN H A 28 ALA HA 1.0 2.2 3.4 127 96 A 29 GLN H A 28 ALA HB% 1.0 1.8 3.5 128 97 A 31 ALA H A 30 ILE HA 1.0 2.2 3.4 129 98 A 31 ALA H A 30 ILE HB 1.0 2.2 3.4 130 99 A 30 ILE HG2% A 31 ALA H 1.0 1.8 3.5 131 100 A 32 ASP H A 31 ALA HB% 1.0 1.8 3.5 132 101 A 33 ALA H A 32 ASP HA 1.0 2.2 3.4 133 102 A 33 ALA H A 32 ASP HBy 1.0 1.8 3.0 134 102 A 33 ALA H A 32 ASP HBx 1.0 1.8 3.0 135 103 A 33 ALA HA A 34 LYS H 1.0 2.2 4.4 136 104 A 33 ALA HB% A 34 LYS H 1.0 1.8 3.5 137 105 A 36 VAL H A 35 LEU HDx% 1.0 1.8 3.5 138 105 A 35 LEU HDy% A 36 VAL H 1.0 1.8 3.5 139 106 A 39 ARG H A 38 ASN HBx 1.0 1.8 4.0 140 106 A 38 ASN HBy A 39 ARG H 1.0 1.8 4.0 141 107 A 45 GLU H A 44 THR HA 1.0 1.8 4.0 142 108 A 45 GLU H A 44 THR HB 1.0 1.8 3.0 143 109 A 45 GLU H A 44 THR HG2% 1.0 1.8 4.5 144 110 A 48 SER H A 47 LEU HDx% 1.0 1.8 3.5 145 110 A 48 SER H A 47 LEU HDy% 1.0 1.8 3.5 146 111 A 49 TRP H A 48 SER HA 1.0 2.2 3.4 147 112 A 50 ALA H A 49 TRP HA 1.0 1.8 4.0 148 113 A 50 ALA H A 49 TRP HBy 1.0 1.8 3.0 149 113 A 50 ALA H A 49 TRP HBx 1.0 1.8 3.0 150 114 A 50 ALA HA A 51 LEU H 1.0 1.8 4.0 151 115 A 50 ALA HB% A 51 LEU H 1.0 1.8 3.5 152 116 A 52 ASN H A 51 LEU HA 1.0 2.2 3.4 153 117 A 52 ASN H A 51 LEU HBy 1.0 1.8 3.0 154 117 A 52 ASN H A 51 LEU HBx 1.0 1.8 3.0 155 118 A 52 ASN H A 51 LEU HDx% 1.0 1.8 4.5 156 118 A 52 ASN H A 51 LEU HDy% 1.0 1.8 4.5 157 119 A 53 THR H A 52 ASN HA 1.0 2.2 3.4 158 120 A 53 THR H A 52 ASN HBy 1.0 1.8 3.0 159 120 A 53 THR H A 52 ASN HBx 1.0 1.8 3.0 160 121 A 53 THR HG2% A 54 GLY H 1.0 2.3 4.0 161 122 A 55 GLN H A 54 GLY HAx 1.0 2.2 3.4 162 122 A 55 GLN H A 54 GLY HAy 1.0 2.2 3.4 163 123 A 56 ASP HA A 57 SER H 1.0 2.2 3.4 164 124 A 57 SER HA A 58 GLY H 1.0 2.2 3.4 165 125 A 59 VAL H A 58 GLY HAy 1.0 2.2 3.4 166 125 A 58 GLY HAx A 59 VAL H 1.0 2.2 3.4 167 126 A 64 SER H A 63 MET HA 1.0 2.2 3.4 168 127 A 64 SER H A 63 MET HGx 1.0 1.8 3.0 169 127 A 63 MET HGy A 64 SER H 1.0 1.8 3.0 170 128 A 65 GLU H A 64 SER HA 1.0 2.2 3.4 171 129 A 65 GLU H A 64 SER HBx 1.0 1.8 3.0 172 129 A 65 GLU H A 64 SER HBy 1.0 1.8 3.0 173 130 A 66 ASP H A 65 GLU HA 1.0 1.8 4.0 174 131 A 67 GLU H A 66 ASP HA 1.0 2.2 3.4 175 132 A 67 GLU H A 66 ASP HBx 1.0 1.8 3.0 176 132 A 67 GLU H A 66 ASP HBy 1.0 1.8 3.0 177 133 A 70 ALA H A 69 ARG HBy 1.0 1.8 3.0 178 133 A 70 ALA H A 69 ARG HBx 1.0 1.8 3.0 179 134 A 70 ALA HA A 71 LEU H 1.0 2.2 3.4 180 135 A 71 LEU H A 70 ALA HB% 1.0 1.8 5.5 181 136 A 73 ARG H A 72 LYS HA 1.0 2.2 3.4 182 137 A 76 ALA H A 75 ASN HBx 1.0 1.8 4.0 183 137 A 75 ASN HBy A 76 ALA H 1.0 1.8 4.0 184 138 A 1 MET H A 3 TRP H 1.0 1.8 4.0 185 139 A 13 ASP H A 16 LEU H 1.0 1.8 4.0 186 140 A 15 GLU H A 13 ASP HBy 1.0 1.8 4.0 187 140 A 13 ASP HBx A 15 GLU H 1.0 1.8 4.0 188 141 A 16 LEU H A 13 ASP HBy 1.0 1.8 3.0 189 141 A 13 ASP HBx A 16 LEU H 1.0 1.8 3.0 190 142 A 13 ASP HBy A 16 LEU HDy% 1.0 2.3 3.5 191 142 A 13 ASP HBx A 16 LEU HDy% 1.0 2.3 3.5 192 142 A 16 LEU HDx% A 13 ASP HBy 1.0 2.3 3.5 193 142 A 16 LEU HDx% A 13 ASP HBx 1.0 2.3 3.5 194 143 A 13 ASP H A 16 LEU HDy% 1.0 2.3 4.5 195 143 A 16 LEU HDx% A 13 ASP H 1.0 2.3 4.5 196 144 A 18 PHE H A 15 GLU HA 1.0 1.8 3.0 197 145 A 18 PHE H A 15 GLU HBx 1.0 1.8 4.5 198 145 A 15 GLU HBy A 18 PHE H 1.0 1.8 4.5 199 146 A 16 LEU H A 18 PHE H 1.0 1.8 4.0 200 147 A 16 LEU H A 18 PHE HD% 1.0 1.8 5.0 201 148 A 18 PHE H A 16 LEU HDy% 1.0 1.8 4.5 202 148 A 16 LEU HDx% A 18 PHE H 1.0 1.8 4.5 203 149 A 26 ALA H A 23 SER HBx 1.0 1.8 3.0 204 149 A 26 ALA H A 23 SER HBy 1.0 1.8 3.0 205 150 A 26 ALA HB% A 23 SER H 1.0 1.8 3.5 206 151 A 26 ALA H A 24 GLY HAy 1.0 2.2 3.4 207 151 A 26 ALA H A 24 GLY HAx 1.0 2.2 3.4 208 152 A 28 ALA H A 25 PRO HA 1.0 1.8 3.0 209 153 A 26 ALA HB% A 29 GLN HBx 1.0 1.8 3.5 210 153 A 26 ALA HB% A 29 GLN HBy 1.0 1.8 3.5 211 154 A 29 GLN H A 27 LEU HDy% 1.0 1.8 4.5 212 154 A 27 LEU HDx% A 29 GLN H 1.0 1.8 4.5 213 155 A 29 GLN H A 27 LEU HBy 1.0 2.1 4.3 214 155 A 29 GLN H A 27 LEU HBx 1.0 2.1 4.3 215 156 A 30 ILE HG2% A 27 LEU HA 1.0 1.8 3.5 216 157 A 27 LEU HA A 30 ILE HD1% 1.0 1.8 3.5 217 158 A 31 ALA H A 28 ALA HA 1.0 2.2 3.4 218 159 A 28 ALA HA A 31 ALA HB% 1.0 1.8 3.5 219 160 A 33 ALA H A 30 ILE HA 1.0 2.2 3.4 220 161 A 34 LYS H A 31 ALA HA 1.0 2.2 3.4 221 162 A 35 LEU H A 32 ASP HA 1.0 2.2 3.4 222 163 A 32 ASP HA A 35 LEU HDx% 1.0 1.8 5.5 223 163 A 35 LEU HDy% A 32 ASP HA 1.0 1.8 5.5 224 164 A 35 LEU HA A 38 ASN HBx 1.0 1.8 5.0 225 164 A 38 ASN HBy A 35 LEU HA 1.0 1.8 5.0 226 165 A 45 GLU H A 43 THR HG2% 1.0 2.1 3.8 227 166 A 49 TRP H A 51 LEU H 1.0 1.8 4.0 228 167 A 52 ASN H A 49 TRP HA 1.0 2.2 3.4 229 168 A 50 ALA HA A 53 THR H 1.0 1.8 4.0 230 169 A 64 SER H A 67 GLU H 1.0 1.8 4.0 231 170 A 68 ARG HA A 71 LEU HBx 1.0 2.2 3.4 232 170 A 71 LEU HBy A 68 ARG HA 1.0 2.2 3.4 233 171 A 70 ALA HA A 73 ARG HBy 1.0 1.8 5.0 234 171 A 70 ALA HA A 73 ARG HBx 1.0 1.8 5.0 235 172 A 71 LEU HA A 74 ARG H 1.0 1.8 5.0 236 173 A 76 ALA H A 73 ARG HA 1.0 1.8 4.0 237 174 A -4 TYR HA A -4 TYR HD% 1.0 1.8 4.0 238 175 A -4 TYR HD% A -4 TYR HBx 1.0 1.8 4.0 239 175 A -4 TYR HBy A -4 TYR HD% 1.0 1.8 4.0 240 176 A -4 TYR H A -4 TYR HD% 1.0 1.8 3.0 241 177 A -3 PHE H A -3 PHE HD% 1.0 1.8 3.0 242 178 A -3 PHE HD% A -3 PHE HBx 1.0 1.8 4.0 243 178 A -3 PHE HD% A -3 PHE HBy 1.0 1.8 4.0 244 179 A 3 TRP H A 3 TRP HD1 1.0 1.8 3.0 245 180 A 3 TRP H A 3 TRP HE1 1.0 1.8 4.0 246 181 A 3 TRP HD1 A 3 TRP HBy 1.0 1.8 4.0 247 181 A 3 TRP HD1 A 3 TRP HBx 1.0 1.8 4.0 248 182 A 18 PHE HD% A 18 PHE HA 1.0 1.8 4.0 249 183 A 49 TRP HD1 A 49 TRP HBy 1.0 1.8 4.0 250 183 A 49 TRP HBx A 49 TRP HD1 1.0 1.8 4.0 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 MET O A 5 HIS N 1.0 2.7 3.1 2 2 A 6 LYS N A 2 ASP O 1.0 2.7 3.1 3 3 A 7 ALA N A 3 TRP O 1.0 2.7 3.1 4 4 A 8 VAL N A 4 ARG O 1.0 2.7 3.1 5 5 A 9 CYS N A 5 HIS O 1.0 2.7 3.1 6 6 A 10 ARG N A 6 LYS O 1.0 2.7 3.1 7 7 A 7 ALA O A 11 ASP N 1.0 2.7 3.1 8 8 A 8 VAL O A 12 GLU N 1.0 2.7 3.1 9 9 A 25 PRO O A 29 GLN N 1.0 2.7 3.1 10 10 A 26 ALA O A 30 ILE N 1.0 2.7 3.1 11 11 A 27 LEU O A 31 ALA N 1.0 2.7 3.1 12 12 A 28 ALA O A 32 ASP N 1.0 2.7 3.1 13 13 A 29 GLN O A 33 ALA N 1.0 2.7 3.1 14 14 A 30 ILE O A 34 LYS N 1.0 2.7 3.1 15 15 A 31 ALA O A 35 LEU N 1.0 2.7 3.1 16 16 A 32 ASP O A 36 VAL N 1.0 2.7 3.1 17 17 A 37 CYS N A 33 ALA O 1.0 2.7 3.1 18 18 A 38 ASN N A 34 LYS O 1.0 2.7 3.1 19 19 A 43 THR O A 47 LEU N 1.0 2.7 3.1 20 20 A 44 THR O A 48 SER N 1.0 2.7 3.1 21 21 A 45 GLU O A 49 TRP N 1.0 2.7 3.1 22 22 A 46 CYS O A 50 ALA N 1.0 2.7 3.1 23 23 A 47 LEU O A 51 LEU N 1.0 2.7 3.1 24 24 A 48 SER O A 52 ASN N 1.0 2.7 3.1 25 25 A 49 TRP O A 53 THR N 1.0 2.7 3.1 26 26 A 64 SER O A 68 ARG N 1.0 2.7 3.1 27 27 A 65 GLU O A 69 ARG N 1.0 2.7 3.1 28 28 A 66 ASP O A 70 ALA N 1.0 2.7 3.1 29 29 A 67 GLU O A 71 LEU N 1.0 2.7 3.1 30 30 A 68 ARG O A 72 LYS N 1.0 2.7 3.1 31 31 A 69 ARG O A 73 ARG N 1.0 2.7 3.1 32 32 A 70 ALA O A 74 ARG N 1.0 2.7 3.1 33 33 A 71 LEU O A 75 ASN N 1.0 2.7 3.1 34 34 A 72 LYS O A 76 ALA N 1.0 2.7 3.1 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 0 ALA C A 1 MET N A 1 MET CA A 1 MET C 1.0 -95.7 -64.1 PHI 2 2 A 1 MET C A 2 ASP N A 2 ASP CA A 2 ASP C 1.0 -72.8 -58.2 PHI 3 3 A 2 ASP C A 3 TRP N A 3 TRP CA A 3 TRP C 1.0 -72.0 -61.4 PHI 4 4 A 3 TRP C A 4 ARG N A 4 ARG CA A 4 ARG C 1.0 -70.5 -60.3 PHI 5 5 A 4 ARG C A 5 HIS N A 5 HIS CA A 5 HIS C 1.0 -75.5 -63.7 PHI 6 6 A 5 HIS C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -112.7 -95.7 PHI 7 7 A 6 LYS C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -68.3 -54.5 PHI 8 8 A 9 CYS C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -69.6 -54.0 PHI 9 9 A 10 ARG C A 11 ASP N A 11 ASP CA A 11 ASP C 1.0 -104.5 -84.3 PHI 10 10 A 11 ASP C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -116.4 -83.6 PHI 11 11 A 12 GLU C A 13 ASP N A 13 ASP CA A 13 ASP C 1.0 -111.9 -71.1 PHI 12 12 A 13 ASP C A 14 PRO N A 14 PRO CA A 14 PRO C 1.0 -64.8 -52.8 PHI 13 13 A 14 PRO C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -71.8 -58.6 PHI 14 14 A 15 GLU C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -89.7 -64.3 PHI 15 15 A 16 LEU C A 17 PHE N A 17 PHE CA A 17 PHE C 1.0 -104.7 -87.9 PHI 16 16 A 17 PHE C A 18 PHE N A 18 PHE CA A 18 PHE C 1.0 -131.3 -83.3 PHI 17 17 A 18 PHE C A 19 PRO N A 19 PRO CA A 19 PRO C 1.0 -73.8 -59.8 PHI 18 18 A 19 PRO C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -101.4 -64.2 PHI 19 19 A 21 GLY C A 22 ASN N A 22 ASN CA A 22 ASN C 1.0 -122.8 -91.2 PHI 20 20 A 22 ASN C A 23 SER N A 23 SER CA A 23 SER C 1.0 -167.7 -99.9 PHI 21 21 A 24 GLY C A 25 PRO N A 25 PRO CA A 25 PRO C 1.0 -66.3 -50.9 PHI 22 22 A 25 PRO C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -71.5 -63.7 PHI 23 23 A 26 ALA C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -71.6 -64.4 PHI 24 24 A 27 LEU C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -69.1 -63.5 PHI 25 25 A 28 ALA C A 29 GLN N A 29 GLN CA A 29 GLN C 1.0 -68.7 -61.5 PHI 26 26 A 29 GLN C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -68.2 -61.0 PHI 27 27 A 30 ILE C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -67.2 -62.0 PHI 28 28 A 31 ALA C A 32 ASP N A 32 ASP CA A 32 ASP C 1.0 -70.9 -61.9 PHI 29 29 A 32 ASP C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -69.3 -62.7 PHI 30 30 A 33 ALA C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -68.1 -59.3 PHI 31 31 A 34 LYS C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -72.1 -63.3 PHI 32 32 A 35 LEU C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -69.3 -62.3 PHI 33 33 A 36 VAL C A 37 CYS N A 37 CYS CA A 37 CYS C 1.0 -80.0 -62.4 PHI 34 34 A 37 CYS C A 38 ASN N A 38 ASN CA A 38 ASN C 1.0 -80.8 -62.6 PHI 35 35 A 38 ASN C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -108.2 -86.8 PHI 36 36 A 39 ARG C A 40 CYS N A 40 CYS CA A 40 CYS C 1.0 -75.4 -60.8 PHI 37 37 A 42 VAL C A 43 THR N A 43 THR CA A 43 THR C 1.0 -133.6 -98.8 PHI 38 38 A 43 THR C A 44 THR N A 44 THR CA A 44 THR C 1.0 -64.5 -56.5 PHI 39 39 A 44 THR C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -67.9 -58.9 PHI 40 40 A 45 GLU C A 46 CYS N A 46 CYS CA A 46 CYS C 1.0 -69.2 -61.4 PHI 41 41 A 46 CYS C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -67.8 -58.6 PHI 42 42 A 47 LEU C A 48 SER N A 48 SER CA A 48 SER C 1.0 -68.1 -61.5 PHI 43 43 A 48 SER C A 49 TRP N A 49 TRP CA A 49 TRP C 1.0 -68.4 -60.0 PHI 44 44 A 49 TRP C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -67.3 -59.9 PHI 45 45 A 50 ALA C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -69.4 -60.8 PHI 46 46 A 51 LEU C A 52 ASN N A 52 ASN CA A 52 ASN C 1.0 -71.1 -63.3 PHI 47 47 A 52 ASN C A 53 THR N A 53 THR CA A 53 THR C 1.0 -104.2 -86.4 PHI 48 48 A 53 THR C A 54 GLY N A 54 GLY CA A 54 GLY C 1.0 64.0 75.0 PHI 49 49 A 54 GLY C A 55 GLN N A 55 GLN CA A 55 GLN C 1.0 -114.0 -91.0 PHI 50 50 A 55 GLN C A 56 ASP N A 56 ASP CA A 56 ASP C 1.0 -78.3 -60.1 PHI 51 51 A 56 ASP C A 57 SER N A 57 SER CA A 57 SER C 1.0 -155.2 -119.0 PHI 52 52 A 57 SER C A 58 GLY N A 58 GLY CA A 58 GLY C 1.0 -166.7 -97.7 PHI 53 53 A 58 GLY C A 59 VAL N A 59 VAL CA A 59 VAL C 1.0 -91.1 -61.9 PHI 54 54 A 59 VAL C A 60 TRP N A 60 TRP CA A 60 TRP C 1.0 -135.9 -83.1 PHI 55 55 A 62 GLY C A 63 MET N A 63 MET CA A 63 MET C 1.0 -141.6 -120.2 PHI 56 56 A 63 MET C A 64 SER N A 64 SER CA A 64 SER C 1.0 -82.2 -65.2 PHI 57 57 A 64 SER C A 65 GLU N A 65 GLU CA A 65 GLU C 1.0 -65.1 -53.1 PHI 58 58 A 65 GLU C A 66 ASP N A 66 ASP CA A 66 ASP C 1.0 -70.4 -62.6 PHI 59 59 A 66 ASP C A 67 GLU N A 67 GLU CA A 67 GLU C 1.0 -70.9 -63.9 PHI 60 60 A 67 GLU C A 68 ARG N A 68 ARG CA A 68 ARG C 1.0 -66.6 -61.4 PHI 61 61 A 68 ARG C A 69 ARG N A 69 ARG CA A 69 ARG C 1.0 -67.2 -61.8 PHI 62 62 A 69 ARG C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -69.9 -60.5 PHI 63 63 A 70 ALA C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -72.8 -63.4 PHI 64 64 A 71 LEU C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -71.8 -63.2 PHI 65 65 A 72 LYS C A 73 ARG N A 73 ARG CA A 73 ARG C 1.0 -71.2 -62.6 PHI 66 66 A 73 ARG C A 74 ARG N A 74 ARG CA A 74 ARG C 1.0 -73.0 -63.8 PHI 67 67 A 74 ARG C A 75 ASN N A 75 ASN CA A 75 ASN C 1.0 -72.1 -63.3 PHI 68 68 A 1 MET N A 1 MET CA A 1 MET C A 2 ASP N 1.0 -43.3 -3.5 PSI 69 69 A 2 ASP N A 2 ASP CA A 2 ASP C A 3 TRP N 1.0 -48.3 -32.3 PSI 70 70 A 3 TRP N A 3 TRP CA A 3 TRP C A 4 ARG N 1.0 -45.3 -29.3 PSI 71 71 A 4 ARG N A 4 ARG CA A 4 ARG C A 5 HIS N 1.0 -42.9 -30.7 PSI 72 72 A 5 HIS N A 5 HIS CA A 5 HIS C A 6 LYS N 1.0 -34.4 -22.4 PSI 73 73 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 ALA N 1.0 -2.4 24.2 PSI 74 74 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 VAL N 1.0 -45.2 -30.2 PSI 75 75 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 ASP N 1.0 -41.4 -23.2 PSI 76 76 A 11 ASP N A 11 ASP CA A 11 ASP C A 12 GLU N 1.0 -7.8 8.2 PSI 77 77 A 13 ASP N A 13 ASP CA A 13 ASP C A 14 PRO N 1.0 100.6 124.0 PSI 78 78 A 14 PRO N A 14 PRO CA A 14 PRO C A 15 GLU N 1.0 -37.2 -24.2 PSI 79 79 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 LEU N 1.0 -30.9 -17.5 PSI 80 80 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 PHE N 1.0 -35.2 -12.0 PSI 81 81 A 17 PHE N A 17 PHE CA A 17 PHE C A 18 PHE N 1.0 -9.7 12.7 PSI 82 82 A 18 PHE N A 18 PHE CA A 18 PHE C A 19 PRO N 1.0 88.0 148.4 PSI 83 83 A 19 PRO N A 19 PRO CA A 19 PRO C A 20 VAL N 1.0 134.8 151.4 PSI 84 84 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 GLY N 1.0 125.3 153.7 PSI 85 85 A 22 ASN N A 22 ASN CA A 22 ASN C A 23 SER N 1.0 -13.8 16.4 PSI 86 86 A 23 SER N A 23 SER CA A 23 SER C A 24 GLY N 1.0 156.7 171.9 PSI 87 87 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 PRO N 1.0 -54.0 -44.8 PSI 88 88 A 25 PRO N A 25 PRO CA A 25 PRO C A 26 ALA N 1.0 -44.5 -31.3 PSI 89 89 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 LEU N 1.0 -46.3 -35.3 PSI 90 90 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 ALA N 1.0 -41.9 -29.3 PSI 91 91 A 28 ALA N A 28 ALA CA A 28 ALA C A 29 GLN N 1.0 -42.2 -33.8 PSI 92 92 A 29 GLN N A 29 GLN CA A 29 GLN C A 30 ILE N 1.0 -46.3 -35.7 PSI 93 93 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 ALA N 1.0 -47.2 -41.0 PSI 94 94 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 ASP N 1.0 -42.7 -33.3 PSI 95 95 A 32 ASP N A 32 ASP CA A 32 ASP C A 33 ALA N 1.0 -45.3 -34.5 PSI 96 96 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 LYS N 1.0 -44.1 -36.3 PSI 97 97 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 LEU N 1.0 -45.1 -35.5 PSI 98 98 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 VAL N 1.0 -43.6 -32.2 PSI 99 99 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 CYS N 1.0 -46.2 -33.0 PSI 100 100 A 37 CYS N A 37 CYS CA A 37 CYS C A 38 ASN N 1.0 -34.4 -13.8 PSI 101 101 A 38 ASN N A 38 ASN CA A 38 ASN C A 39 ARG N 1.0 -30.2 -11.0 PSI 102 102 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 CYS N 1.0 -5.2 12.6 PSI 103 103 A 40 CYS N A 40 CYS CA A 40 CYS C A 41 PRO N 1.0 127.1 152.1 PSI 104 104 A 43 THR N A 43 THR CA A 43 THR C A 44 THR N 1.0 145.3 169.5 PSI 105 105 A 44 THR N A 44 THR CA A 44 THR C A 45 GLU N 1.0 -38.0 -28.6 PSI 106 106 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 CYS N 1.0 -46.2 -37.0 PSI 107 107 A 46 CYS N A 46 CYS CA A 46 CYS C A 47 LEU N 1.0 -44.8 -38.6 PSI 108 108 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 SER N 1.0 -47.0 -37.2 PSI 109 109 A 48 SER N A 48 SER CA A 48 SER C A 49 TRP N 1.0 -43.6 -35.0 PSI 110 110 A 49 TRP N A 49 TRP CA A 49 TRP C A 50 ALA N 1.0 -46.8 -41.6 PSI 111 111 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 LEU N 1.0 -47.7 -38.3 PSI 112 112 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 ASN N 1.0 -42.4 -33.4 PSI 113 113 A 52 ASN N A 52 ASN CA A 52 ASN C A 53 THR N 1.0 -34.6 -23.2 PSI 114 114 A 53 THR N A 53 THR CA A 53 THR C A 54 GLY N 1.0 -2.1 9.3 PSI 115 115 A 54 GLY N A 54 GLY CA A 54 GLY C A 55 GLN N 1.0 25.3 36.3 PSI 116 116 A 55 GLN N A 55 GLN CA A 55 GLN C A 56 ASP N 1.0 130.6 157.6 PSI 117 117 A 57 SER N A 57 SER CA A 57 SER C A 58 GLY N 1.0 147.2 173.0 PSI 118 118 A 63 MET N A 63 MET CA A 63 MET C A 64 SER N 1.0 138.2 166.0 PSI 119 119 A 64 SER N A 64 SER CA A 64 SER C A 65 GLU N 1.0 154.2 164.8 PSI 120 120 A 65 GLU N A 65 GLU CA A 65 GLU C A 66 ASP N 1.0 -41.8 -32.2 PSI 121 121 A 66 ASP N A 66 ASP CA A 66 ASP C A 67 GLU N 1.0 -45.8 -34.0 PSI 122 122 A 67 GLU N A 67 GLU CA A 67 GLU C A 68 ARG N 1.0 -44.6 -38.8 PSI 123 123 A 68 ARG N A 68 ARG CA A 68 ARG C A 69 ARG N 1.0 -44.0 -35.6 PSI 124 124 A 69 ARG N A 69 ARG CA A 69 ARG C A 70 ALA N 1.0 -45.3 -38.5 PSI 125 125 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 LEU N 1.0 -42.4 -33.4 PSI 126 126 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 LYS N 1.0 -46.2 -36.8 PSI 127 127 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 ARG N 1.0 -44.4 -31.4 PSI 128 128 A 73 ARG N A 73 ARG CA A 73 ARG C A 74 ARG N 1.0 -44.4 -34.2 PSI 129 129 A 74 ARG N A 74 ARG CA A 74 ARG C A 75 ASN N 1.0 -43.0 -28.0 PSI 130 130 A 75 ASN N A 75 ASN CA A 75 ASN C A 76 ALA N 1.0 -40.9 -23.5 PSI 131 131 A 1 MET N A 1 MET CA A 1 MET CB A 1 MET CG 1.0 -75.2 -57.6 CHI1 132 132 A 5 HIS N A 5 HIS CA A 5 HIS CB A 5 HIS CG 1.0 -76.9 -58.7 CHI1 133 133 A 6 LYS N A 6 LYS CA A 6 LYS CB A 6 LYS CG 1.0 -74.2 -56.6 CHI1 134 134 A 11 ASP N A 11 ASP CA A 11 ASP CB A 11 ASP CG 1.0 -74.0 -58.8 CHI1 135 135 A 15 GLU N A 15 GLU CA A 15 GLU CB A 15 GLU CG 1.0 -74.2 -48.2 CHI1 136 136 A 17 PHE N A 17 PHE CA A 17 PHE CB A 17 PHE CG 1.0 -68.8 -51.2 CHI1 137 137 A 18 PHE N A 18 PHE CA A 18 PHE CB A 18 PHE CG 1.0 -72.0 -47.6 CHI1 138 138 A 20 VAL N A 20 VAL CA A 20 VAL CB A 20 VAL CG1 1.0 -182.6 -169.6 CHI1 139 139 A 22 ASN N A 22 ASN CA A 22 ASN CB A 22 ASN CG 1.0 -70.1 -49.5 CHI1 140 140 A 23 SER N A 23 SER CA A 23 SER CB A 23 SER OG 1.0 61.2 79.2 CHI1 141 141 A 27 LEU N A 27 LEU CA A 27 LEU CB A 27 LEU CG 1.0 -73.1 -63.3 CHI1 142 142 A 30 ILE N A 30 ILE CA A 30 ILE CB A 30 ILE CG1 1.0 -75.5 -62.9 CHI1 143 143 A 32 ASP N A 32 ASP CA A 32 ASP CB A 32 ASP CG 1.0 -80.3 -66.1 CHI1 144 144 A 35 LEU N A 35 LEU CA A 35 LEU CB A 35 LEU CG 1.0 -79.2 -62.8 CHI1 145 145 A 36 VAL N A 36 VAL CA A 36 VAL CB A 36 VAL CG1 1.0 168.2 182.2 CHI1 146 146 A 38 ASN N A 38 ASN CA A 38 ASN CB A 38 ASN CG 1.0 -72.2 -61.2 CHI1 147 147 A 39 ARG N A 39 ARG CA A 39 ARG CB A 39 ARG CG 1.0 -72.7 -53.5 CHI1 148 148 A 43 THR N A 43 THR CA A 43 THR CB A 43 THR OG1 1.0 60.7 70.7 CHI1 149 149 A 47 LEU N A 47 LEU CA A 47 LEU CB A 47 LEU CG 1.0 -77.2 -64.4 CHI1 150 150 A 51 LEU N A 51 LEU CA A 51 LEU CB A 51 LEU CG 1.0 -72.7 -63.1 CHI1 151 151 A 52 ASN N A 52 ASN CA A 52 ASN CB A 52 ASN CG 1.0 -76.4 -58.6 CHI1 152 152 A 53 THR N A 53 THR CA A 53 THR CB A 53 THR OG1 1.0 59.7 68.9 CHI1 153 153 A 55 GLN N A 55 GLN CA A 55 GLN CB A 55 GLN CG 1.0 -71.5 -53.5 CHI1 154 154 A 56 ASP N A 56 ASP CA A 56 ASP CB A 56 ASP CG 1.0 -74.3 -56.7 CHI1 155 155 A 59 VAL N A 59 VAL CA A 59 VAL CB A 59 VAL CG1 1.0 -187.6 -162.8 CHI1 156 156 A 64 SER N A 64 SER CA A 64 SER CB A 64 SER OG 1.0 63.3 76.7 CHI1 157 157 A 66 ASP N A 66 ASP CA A 66 ASP CB A 66 ASP CG 1.0 -77.8 -63.2 CHI1 158 158 A 75 ASN N A 75 ASN CA A 75 ASN CB A 75 ASN CG 1.0 -80.1 -64.7 CHI1 stop_ save_