data_nef_c25396_2mxb save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 SER middle . . 3 A 3 GLU middle . . 4 A 4 PRO middle . false 5 A 5 ALA middle . . 6 A 6 SER middle . . 7 A 7 LEU middle . . 8 A 8 LEU middle . . 9 A 9 THR middle . . 10 A 10 ALA middle . . 11 A 11 SER middle . . 12 A 12 ASP middle . . 13 A 13 LEU middle . . 14 A 14 ASP middle . . 15 A 15 PRO middle . false 16 A 16 LEU middle . . 17 A 17 ILE middle . . 18 A 18 LEU middle . . 19 A 19 THR middle . . 20 A 20 LEU middle . . 21 A 21 SER middle . . 22 A 22 LEU middle . . 23 A 23 ILE middle . . 24 A 24 LEU middle . . 25 A 25 VAL middle . . 26 A 26 LEU middle . . 27 A 27 ILE middle . . 28 A 28 SER middle . . 29 A 29 LEU middle . . 30 A 30 LEU middle . . 31 A 31 LEU middle . . 32 A 32 THR middle . . 33 A 33 VAL middle . . 34 A 34 LEU middle . . 35 A 35 ALA middle . . 36 A 36 LEU middle . . 37 A 37 LEU middle . . 38 A 38 SER middle . . 39 A 39 HIS middle . . 40 A 40 ARG middle . . 41 A 41 ARG middle . . 42 A 42 THR middle . . 43 A 43 LEU middle . . 44 A 44 GLN middle . . 45 A 45 GLN middle . . 46 A 46 LYS middle . . 47 A 47 ILE middle . . 48 A 48 TRP middle . . 49 A 49 PRO middle . false 50 A 50 HIS middle . . 51 A 51 HIS middle . . 52 A 52 HIS middle . . 53 A 53 HIS middle . . 54 A 54 HIS middle . . 55 A 55 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.541 0.02 A 1 MET HBy H 1 2.100 0.02 A 1 MET C C 13 175.544 0.2 A 1 MET CA C 13 54.464 0.2 A 1 MET CB C 13 33.515 0.2 A 1 MET N N 15 127.845 0.2 A 2 SER H H 1 8.309 0.02 A 2 SER HA H 1 4.456 0.02 A 2 SER HBy H 1 3.891 0.02 A 2 SER C C 13 174.047 0.2 A 2 SER CA C 13 58.960 0.2 A 2 SER CB C 13 63.845 0.2 A 2 SER N N 15 115.793 0.2 A 3 GLU H H 1 8.247 0.02 A 3 GLU C C 13 174.776 0.2 A 3 GLU CA C 13 55.129 0.2 A 3 GLU CB C 13 29.384 0.2 A 3 GLU N N 15 121.819 0.2 A 4 PRO HA H 1 4.764 0.02 A 4 PRO HBx H 1 2.318 0.02 A 4 PRO C C 13 175.990 0.2 A 4 PRO CA C 13 62.755 0.2 A 4 PRO CB C 13 33.895 0.2 A 5 ALA H H 1 8.581 0.02 A 5 ALA HA H 1 4.229 0.02 A 5 ALA HB% H 1 1.456 0.02 A 5 ALA C C 13 178.413 0.2 A 5 ALA CA C 13 53.840 0.2 A 5 ALA CB C 13 19.178 0.2 A 5 ALA N N 15 126.162 0.2 A 6 SER H H 1 8.054 0.02 A 6 SER HA H 1 4.428 0.02 A 6 SER HBy H 1 3.939 0.02 A 6 SER C C 13 175.303 0.2 A 6 SER CA C 13 59.336 0.2 A 6 SER CB C 13 63.817 0.2 A 6 SER N N 15 113.840 0.2 A 7 LEU H H 1 8.226 0.02 A 7 LEU HA H 1 4.258 0.02 A 7 LEU HBy H 1 1.727 0.02 A 7 LEU HDy% H 1 0.903 0.02 A 7 LEU HG H 1 1.552 0.02 A 7 LEU C C 13 177.265 0.2 A 7 LEU CA C 13 56.819 0.2 A 7 LEU CB C 13 42.558 0.2 A 7 LEU N N 15 123.095 0.2 A 8 LEU H H 1 7.797 0.02 A 8 LEU HA H 1 4.334 0.02 A 8 LEU HBy H 1 1.728 0.02 A 8 LEU HDx% H 1 1.234 0.02 A 8 LEU HDy% H 1 0.884 0.02 A 8 LEU HG H 1 1.600 0.02 A 8 LEU C C 13 177.034 0.2 A 8 LEU CA C 13 55.844 0.2 A 8 LEU CB C 13 42.401 0.2 A 8 LEU N N 15 116.642 0.2 A 9 THR H H 1 7.818 0.02 A 9 THR HA H 1 4.399 0.02 A 9 THR HG2% H 1 1.190 0.02 A 9 THR C C 13 174.813 0.2 A 9 THR CA C 13 62.070 0.2 A 9 THR CB C 13 69.748 0.2 A 9 THR N N 15 110.680 0.2 A 10 ALA H H 1 8.068 0.02 A 10 ALA HA H 1 4.350 0.02 A 10 ALA HB% H 1 1.490 0.02 A 10 ALA C C 13 177.501 0.2 A 10 ALA CA C 13 53.164 0.2 A 10 ALA CB C 13 19.120 0.2 A 10 ALA N N 15 124.452 0.2 A 11 SER H H 1 7.957 0.02 A 11 SER HA H 1 4.380 0.02 A 11 SER HBy H 1 3.917 0.02 A 11 SER C C 13 174.050 0.2 A 11 SER CA C 13 59.245 0.2 A 11 SER CB C 13 64.276 0.2 A 11 SER N N 15 112.823 0.2 A 12 ASP H H 1 8.195 0.02 A 12 ASP HA H 1 4.664 0.02 A 12 ASP HBy H 1 2.720 0.02 A 12 ASP HBx H 1 2.590 0.02 A 12 ASP C C 13 175.636 0.2 A 12 ASP CA C 13 54.518 0.2 A 12 ASP CB C 13 41.089 0.2 A 12 ASP N N 15 120.402 0.2 A 13 LEU H H 1 7.788 0.02 A 13 LEU HA H 1 3.903 0.02 A 13 LEU HDy% H 1 0.877 0.02 A 13 LEU HG H 1 1.644 0.02 A 13 LEU C C 13 176.093 0.2 A 13 LEU CA C 13 54.560 0.2 A 13 LEU CB C 13 43.460 0.2 A 13 LEU N N 15 120.231 0.2 A 14 ASP H H 1 8.275 0.02 A 14 ASP HA H 1 4.300 0.02 A 14 ASP HBy H 1 2.760 0.02 A 14 ASP HBx H 1 2.610 0.02 A 14 ASP CA C 13 53.385 0.2 A 14 ASP CB C 13 42.933 0.2 A 14 ASP N N 15 123.266 0.2 A 16 LEU HA H 1 4.177 0.02 A 16 LEU HBy H 1 1.841 0.02 A 16 LEU C C 13 178.250 0.2 A 16 LEU CA C 13 58.378 0.2 A 16 LEU CB C 13 41.141 0.2 A 17 ILE H H 1 7.834 0.02 A 17 ILE HA H 1 3.669 0.02 A 17 ILE HD11 H 1 1.288 0.02 A 17 ILE HD12 H 1 1.288 0.02 A 17 ILE HD13 H 1 1.288 0.02 A 17 ILE HG2% H 1 0.903 0.02 A 17 ILE C C 13 179.233 0.2 A 17 ILE CA C 13 64.294 0.2 A 17 ILE CB C 13 36.692 0.2 A 17 ILE N N 15 118.944 0.2 A 18 LEU H H 1 8.259 0.02 A 18 LEU HA H 1 4.056 0.02 A 18 LEU HBy H 1 1.713 0.02 A 18 LEU HDx% H 1 1.287 0.02 A 18 LEU HDy% H 1 0.903 0.02 A 18 LEU HG H 1 1.667 0.02 A 18 LEU C C 13 177.734 0.2 A 18 LEU CA C 13 58.886 0.2 A 18 LEU CB C 13 41.850 0.2 A 18 LEU N N 15 121.989 0.2 A 19 THR H H 1 7.972 0.02 A 19 THR HA H 1 4.331 0.02 A 19 THR HG2% H 1 1.672 0.02 A 19 THR CA C 13 68.378 0.2 A 19 THR N N 15 115.308 0.2 A 20 LEU H H 1 8.315 0.02 A 20 LEU HA H 1 3.981 0.02 A 20 LEU HBx H 1 1.599 0.02 A 20 LEU HBy H 1 2.029 0.02 A 20 LEU HDy% H 1 0.811 0.02 A 20 LEU C C 13 178.238 0.2 A 20 LEU CA C 13 58.550 0.2 A 20 LEU CB C 13 41.844 0.2 A 20 LEU N N 15 119.402 0.2 A 21 SER H H 1 8.208 0.02 A 21 SER HA H 1 4.180 0.02 A 21 SER C C 13 175.117 0.2 A 21 SER CA C 13 63.721 0.2 A 21 SER CB C 13 63.004 0.2 A 21 SER N N 15 114.702 0.2 A 22 LEU H H 1 7.942 0.02 A 22 LEU HA H 1 4.039 0.02 A 22 LEU HBy H 1 1.785 0.02 A 22 LEU HDy% H 1 0.824 0.02 A 22 LEU C C 13 178.509 0.2 A 22 LEU CA C 13 58.110 0.2 A 22 LEU CB C 13 41.754 0.2 A 22 LEU N N 15 121.089 0.2 A 23 ILE H H 1 8.062 0.02 A 23 ILE HA H 1 3.623 0.02 A 23 ILE HB H 1 2.099 0.02 A 23 ILE HD11 H 1 1.020 0.02 A 23 ILE HD12 H 1 1.020 0.02 A 23 ILE HD13 H 1 1.020 0.02 A 23 ILE HG2% H 1 0.824 0.02 A 23 ILE C C 13 177.232 0.2 A 23 ILE CA C 13 65.729 0.2 A 23 ILE CB C 13 37.232 0.2 A 23 ILE N N 15 118.365 0.2 A 24 LEU H H 1 8.265 0.02 A 24 LEU HA H 1 4.030 0.02 A 24 LEU HBx H 1 1.618 0.02 A 24 LEU HBy H 1 1.963 0.02 A 24 LEU HDy% H 1 0.797 0.02 A 24 LEU C C 13 179.936 0.2 A 24 LEU CA C 13 58.475 0.2 A 24 LEU CB C 13 41.729 0.2 A 24 LEU N N 15 119.242 0.2 A 25 VAL H H 1 8.339 0.02 A 25 VAL HA H 1 3.550 0.02 A 25 VAL HB H 1 2.227 0.02 A 25 VAL HGx% H 1 0.797 0.02 A 25 VAL HGy% H 1 0.983 0.02 A 25 VAL C C 13 177.182 0.2 A 25 VAL CA C 13 67.383 0.2 A 25 VAL CB C 13 31.383 0.2 A 25 VAL N N 15 121.096 0.2 A 26 LEU H H 1 8.362 0.02 A 26 LEU HA H 1 4.007 0.02 A 26 LEU HBx H 1 1.658 0.02 A 26 LEU HBy H 1 1.860 0.02 A 26 LEU HDx% H 1 0.996 0.02 A 26 LEU HDy% H 1 0.771 0.02 A 26 LEU HG H 1 1.600 0.02 A 26 LEU C C 13 178.701 0.2 A 26 LEU CA C 13 58.776 0.2 A 26 LEU CB C 13 41.812 0.2 A 26 LEU N N 15 120.012 0.2 A 27 ILE H H 1 8.693 0.02 A 27 ILE HA H 1 3.649 0.02 A 27 ILE HB H 1 1.988 0.02 A 27 ILE HD11 H 1 1.075 0.02 A 27 ILE HD12 H 1 1.075 0.02 A 27 ILE HD13 H 1 1.075 0.02 A 27 ILE HG2% H 1 0.824 0.02 A 27 ILE C C 13 177.465 0.2 A 27 ILE CA C 13 65.447 0.2 A 27 ILE CB C 13 37.525 0.2 A 27 ILE N N 15 117.280 0.2 A 28 SER H H 1 8.174 0.02 A 28 SER HA H 1 4.005 0.02 A 28 SER C C 13 177.161 0.2 A 28 SER CA C 13 63.852 0.2 A 28 SER CB C 13 62.718 0.2 A 28 SER N N 15 116.717 0.2 A 29 LEU H H 1 8.459 0.02 A 29 LEU HA H 1 4.082 0.02 A 29 LEU HBy H 1 1.713 0.02 A 29 LEU C C 13 178.046 0.2 A 29 LEU CA C 13 58.283 0.2 A 29 LEU CB C 13 41.849 0.2 A 29 LEU N N 15 124.297 0.2 A 30 LEU H H 1 8.311 0.02 A 30 LEU HA H 1 3.968 0.02 A 30 LEU HBy H 1 1.752 0.02 A 30 LEU HDx% H 1 1.120 0.02 A 30 LEU C C 13 178.567 0.2 A 30 LEU CA C 13 58.500 0.2 A 30 LEU CB C 13 41.750 0.2 A 30 LEU N N 15 119.387 0.2 A 31 LEU H H 1 8.594 0.02 A 31 LEU HA H 1 4.003 0.02 A 31 LEU HBx H 1 1.483 0.02 A 31 LEU HBy H 1 1.926 0.02 A 31 LEU HDx% H 1 1.062 0.02 A 31 LEU HDy% H 1 0.811 0.02 A 31 LEU HG H 1 1.433 0.02 A 31 LEU C C 13 178.330 0.2 A 31 LEU CA C 13 58.341 0.2 A 31 LEU CB C 13 41.711 0.2 A 31 LEU N N 15 117.058 0.2 A 32 THR H H 1 7.875 0.02 A 32 THR HA H 1 4.370 0.02 A 32 THR C C 13 176.260 0.2 A 32 THR CA C 13 68.551 0.2 A 32 THR CB C 13 67.715 0.2 A 32 THR N N 15 116.127 0.2 A 33 VAL H H 1 8.264 0.02 A 33 VAL HA H 1 3.572 0.02 A 33 VAL HB H 1 2.356 0.02 A 33 VAL HGx% H 1 0.800 0.02 A 33 VAL HGy% H 1 0.889 0.02 A 33 VAL C C 13 177.495 0.2 A 33 VAL CA C 13 67.601 0.2 A 33 VAL CB C 13 31.378 0.2 A 33 VAL N N 15 120.379 0.2 A 34 LEU H H 1 8.331 0.02 A 34 LEU HA H 1 4.084 0.02 A 34 LEU HBx H 1 1.608 0.02 A 34 LEU HBy H 1 1.988 0.02 A 34 LEU HDx% H 1 1.009 0.02 A 34 LEU HDy% H 1 0.868 0.02 A 34 LEU C C 13 179.313 0.2 A 34 LEU CA C 13 58.416 0.2 A 34 LEU CB C 13 41.778 0.2 A 34 LEU N N 15 118.525 0.2 A 35 ALA H H 1 8.586 0.02 A 35 ALA HA H 1 4.081 0.02 A 35 ALA HB% H 1 1.609 0.02 A 35 ALA C C 13 179.791 0.2 A 35 ALA CA C 13 55.567 0.2 A 35 ALA CB C 13 18.466 0.2 A 35 ALA N N 15 122.077 0.2 A 36 LEU H H 1 8.382 0.02 A 36 LEU HA H 1 4.148 0.02 A 36 LEU HBx H 1 1.766 0.02 A 36 LEU HBy H 1 1.933 0.02 A 36 LEU HDy% H 1 0.853 0.02 A 36 LEU C C 13 178.875 0.2 A 36 LEU CA C 13 58.079 0.2 A 36 LEU CB C 13 42.311 0.2 A 36 LEU N N 15 118.274 0.2 A 37 LEU H H 1 8.431 0.02 A 37 LEU HA H 1 4.302 0.02 A 37 LEU HDx% H 1 1.270 0.02 A 37 LEU HDy% H 1 0.869 0.02 A 37 LEU HG H 1 1.530 0.02 A 37 LEU C C 13 179.364 0.2 A 37 LEU CA C 13 57.510 0.2 A 37 LEU CB C 13 42.141 0.2 A 37 LEU N N 15 117.223 0.2 A 38 SER H H 1 8.108 0.02 A 38 SER HA H 1 4.328 0.02 A 38 SER HBy H 1 3.905 0.02 A 38 SER C C 13 175.318 0.2 A 38 SER CA C 13 61.127 0.2 A 38 SER CB C 13 63.806 0.2 A 38 SER N N 15 113.554 0.2 A 39 HIS H H 1 7.973 0.02 A 39 HIS HA H 1 4.097 0.02 A 39 HIS CA C 13 57.060 0.2 A 39 HIS CB C 13 30.423 0.2 A 39 HIS N N 15 119.173 0.2 A 40 ARG H H 1 7.794 0.02 A 40 ARG HA H 1 4.302 0.02 A 40 ARG HGy H 1 1.988 0.02 A 40 ARG CA C 13 58.822 0.2 A 40 ARG CB C 13 29.820 0.2 A 40 ARG N N 15 119.999 0.2 A 41 ARG HA H 1 4.221 0.02 A 41 ARG HBy H 1 2.034 0.02 A 41 ARG C C 13 178.048 0.2 A 41 ARG CA C 13 58.858 0.2 A 41 ARG CB C 13 29.793 0.2 A 42 THR H H 1 7.828 0.02 A 42 THR HA H 1 4.079 0.02 A 42 THR C C 13 176.282 0.2 A 42 THR CA C 13 64.984 0.2 A 42 THR CB C 13 68.873 0.2 A 42 THR N N 15 114.289 0.2 A 43 LEU H H 1 7.940 0.02 A 43 LEU HA H 1 4.110 0.02 A 43 LEU HBy H 1 1.624 0.02 A 43 LEU HDy% H 1 0.870 0.02 A 43 LEU C C 13 178.245 0.2 A 43 LEU CA C 13 57.554 0.2 A 43 LEU CB C 13 42.200 0.2 A 43 LEU N N 15 120.680 0.2 A 44 GLN H H 1 8.475 0.02 A 44 GLN HA H 1 4.091 0.02 A 44 GLN HBy H 1 2.331 0.02 A 44 GLN C C 13 177.248 0.2 A 44 GLN CA C 13 59.473 0.2 A 44 GLN CB C 13 28.743 0.2 A 44 GLN N N 15 118.111 0.2 A 45 GLN H H 1 7.760 0.02 A 45 GLN HA H 1 4.185 0.02 A 45 GLN HBy H 1 2.166 0.02 A 45 GLN C C 13 176.580 0.2 A 45 GLN CA C 13 57.428 0.2 A 45 GLN CB C 13 28.751 0.2 A 45 GLN N N 15 116.055 0.2 A 46 LYS H H 1 7.619 0.02 A 46 LYS HA H 1 4.254 0.02 A 46 LYS HBy H 1 1.905 0.02 A 46 LYS C C 13 176.674 0.2 A 46 LYS CA C 13 57.006 0.2 A 46 LYS CB C 13 32.819 0.2 A 46 LYS N N 15 116.804 0.2 A 47 ILE H H 1 7.578 0.02 A 47 ILE HA H 1 3.818 0.02 A 47 ILE HB H 1 1.405 0.02 A 47 ILE HD11 H 1 0.580 0.02 A 47 ILE HD12 H 1 0.580 0.02 A 47 ILE HD13 H 1 0.580 0.02 A 47 ILE HG2% H 1 0.017 0.02 A 47 ILE C C 13 174.706 0.2 A 47 ILE CA C 13 62.623 0.2 A 47 ILE CB C 13 38.668 0.2 A 47 ILE N N 15 116.588 0.2 A 48 TRP H H 1 7.935 0.02 A 48 TRP HA H 1 5.032 0.02 A 48 TRP HBx H 1 3.230 0.02 A 48 TRP HBy H 1 3.450 0.02 A 48 TRP HE1 H 1 10.634 0.02 A 48 TRP C C 13 173.578 0.2 A 48 TRP CA C 13 55.660 0.2 A 48 TRP CB C 13 28.779 0.2 A 48 TRP N N 15 118.822 0.2 A 48 TRP NE1 N 15 130.835 0.2 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 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 2 SER H A 2 SER HA 1.0 1.8 3.813 2 2 A 2 SER H A 2 SER HBy 1.0 1.8 4.804 3 3 A 3 GLU H A 1 MET HBy 1.0 1.8 3.708 4 4 A 2 SER HA A 3 GLU H 1.0 1.8 3.323 5 5 A 2 SER HBy A 3 GLU H 1.0 1.8 4.125 6 6 A 5 ALA H A 4 PRO HA 1.0 1.8 4.962 7 7 A 5 ALA H A 5 ALA HB% 1.0 1.8 5.619 8 8 A 6 SER H A 5 ALA HA 1.0 1.8 3.225 9 9 A 6 SER H A 5 ALA HA 1.0 1.8 3.256 10 10 A 5 ALA HB% A 6 SER H 1.0 1.8 4.161 11 11 A 6 SER H A 6 SER HA 1.0 1.8 3.371 12 12 A 6 SER HA A 7 LEU H 1.0 1.8 3.568 13 13 A 7 LEU H A 6 SER HBy 1.0 1.8 4.519 14 14 A 6 SER H A 7 LEU H 1.0 1.8 3.979 15 15 A 6 SER H A 7 LEU H 1.0 1.8 3.615 16 16 A 7 LEU H A 7 LEU HBy 1.0 1.8 3.216 17 17 A 7 LEU H A 7 LEU HDy% 1.0 1.8 5.074 18 18 A 7 LEU H A 7 LEU HG 1.0 1.8 3.931 19 19 A 6 SER H A 8 LEU H 1.0 1.8 4.719 20 20 A 6 SER H A 8 LEU H 1.0 1.8 5.084 21 21 A 8 LEU H A 7 LEU HA 1.0 1.8 3.533 22 22 A 7 LEU HBy A 8 LEU H 1.0 1.8 3.012 23 23 A 7 LEU H A 8 LEU H 1.0 1.8 3.712 24 24 A 7 LEU H A 8 LEU H 1.0 1.8 3.690 25 25 A 8 LEU H A 8 LEU HDx% 1.0 1.8 5.748 26 26 A 8 LEU H A 8 LEU HDy% 1.0 1.8 4.437 27 27 A 8 LEU H A 8 LEU HG 1.0 1.8 3.529 28 28 A 9 THR H A 8 LEU HA 1.0 1.8 3.362 29 29 A 9 THR H A 8 LEU HBy 1.0 1.8 4.115 30 30 A 8 LEU HDy% A 9 THR H 1.0 1.8 5.398 31 31 A 9 THR H A 9 THR HG2% 1.0 1.8 4.523 32 32 A 8 LEU HDy% A 10 ALA H 1.0 1.8 6.000 33 33 A 10 ALA H A 9 THR HA 1.0 1.8 3.218 34 34 A 9 THR HG2% A 10 ALA H 1.0 1.8 5.906 35 35 A 9 THR H A 10 ALA H 1.0 1.8 3.795 36 36 A 9 THR H A 10 ALA H 1.0 1.8 3.873 37 37 A 10 ALA H A 10 ALA HB% 1.0 1.8 3.786 38 38 A 8 LEU HDx% A 11 SER H 1.0 1.8 5.932 39 39 A 8 LEU HDy% A 11 SER H 1.0 1.8 6.000 40 40 A 11 SER H A 10 ALA HA 1.0 1.8 3.073 41 41 A 10 ALA HB% A 11 SER H 1.0 1.8 4.091 42 42 A 11 SER H A 11 SER HBy 1.0 1.8 3.381 43 43 A 10 ALA HB% A 12 ASP H 1.0 1.8 5.176 44 44 A 12 ASP H A 11 SER HA 1.0 1.8 3.121 45 45 A 11 SER HBy A 12 ASP H 1.0 1.8 3.849 46 46 A 11 SER H A 12 ASP H 1.0 1.8 3.815 47 47 A 11 SER H A 12 ASP H 1.0 1.8 3.737 48 48 A 12 ASP H A 12 ASP HBx 1.0 1.8 3.687 49 49 A 12 ASP H A 12 ASP HBy 1.0 1.8 3.441 50 50 A 13 LEU H A 12 ASP HA 1.0 1.8 3.174 51 51 A 12 ASP HBx A 13 LEU H 1.0 1.8 4.565 52 52 A 12 ASP HBy A 13 LEU H 1.0 1.8 4.415 53 53 A 12 ASP H A 13 LEU H 1.0 1.8 3.359 54 54 A 12 ASP H A 13 LEU H 1.0 1.8 3.872 55 55 A 13 LEU H A 13 LEU HA 1.0 1.8 4.965 56 56 A 13 LEU H A 13 LEU HDy% 1.0 1.8 4.009 57 57 A 13 LEU H A 13 LEU HG 1.0 1.8 2.941 58 58 A 12 ASP HA A 14 ASP H 1.0 1.8 3.798 59 59 A 13 LEU HA A 14 ASP H 1.0 1.8 4.425 60 60 A 13 LEU HDy% A 14 ASP H 1.0 2.8 4.837 61 61 A 13 LEU HG A 14 ASP H 1.0 1.8 3.653 62 62 A 13 LEU H A 14 ASP H 1.0 1.8 4.006 63 63 A 14 ASP H A 14 ASP HA 1.0 1.8 2.979 64 64 A 14 ASP H A 14 ASP HBx 1.0 1.8 3.501 65 65 A 14 ASP H A 14 ASP HBy 1.0 1.8 3.603 66 66 A 17 ILE H A 16 LEU HA 1.0 1.8 5.612 67 67 A 17 ILE H A 16 LEU HBy 1.0 1.8 4.460 68 68 A 17 ILE H A 17 ILE HA 1.0 1.8 4.584 69 69 A 17 ILE H A 17 ILE HD11 1.0 1.8 5.213 70 70 A 17 ILE H A 17 ILE HG2% 1.0 1.8 4.500 71 71 A 16 LEU HA A 18 LEU H 1.0 1.8 4.352 72 72 A 17 ILE H A 18 LEU H 1.0 1.8 4.328 73 73 A 17 ILE H A 18 LEU H 1.0 1.8 4.221 74 74 A 18 LEU H A 18 LEU HA 1.0 1.8 4.284 75 75 A 18 LEU H A 18 LEU HDx% 1.0 1.8 5.483 76 76 A 18 LEU H A 18 LEU HDy% 1.0 1.8 4.431 77 77 A 18 LEU H A 18 LEU HG 1.0 1.8 3.601 78 78 A 18 LEU HA A 19 THR H 1.0 1.8 4.829 79 79 A 18 LEU HA A 19 THR H 1.0 1.8 4.925 80 80 A 19 THR H A 18 LEU HBy 1.0 1.8 4.863 81 81 A 18 LEU HDy% A 19 THR H 1.0 1.8 5.162 82 82 A 18 LEU H A 19 THR H 1.0 1.8 4.736 83 83 A 19 THR H A 19 THR HA 1.0 1.8 4.085 84 84 A 19 THR H A 19 THR HG2% 1.0 1.8 4.503 85 85 A 16 LEU HA A 20 LEU H 1.0 1.8 4.566 86 86 A 19 THR H A 20 LEU H 1.0 1.8 4.339 87 87 A 19 THR H A 20 LEU H 1.0 1.8 4.124 88 88 A 20 LEU H A 20 LEU HA 1.0 1.8 3.540 89 89 A 20 LEU H A 20 LEU HBx 1.0 1.8 3.683 90 90 A 20 LEU H A 20 LEU HDy% 1.0 1.8 3.982 91 91 A 17 ILE HA A 21 SER H 1.0 1.8 4.059 92 92 A 17 ILE HG2% A 21 SER H 1.0 1.8 4.696 93 93 A 19 THR H A 21 SER H 1.0 1.8 3.959 94 94 A 20 LEU HA A 21 SER H 1.0 1.8 3.622 95 95 A 20 LEU HBx A 21 SER H 1.0 1.8 4.459 96 96 A 20 LEU H A 21 SER H 1.0 1.8 3.946 97 97 A 18 LEU HA A 22 LEU H 1.0 1.8 3.622 98 98 A 21 SER H A 22 LEU H 1.0 1.8 4.563 99 99 A 22 LEU H A 22 LEU HA 1.0 1.8 3.946 100 100 A 22 LEU H A 22 LEU HBy 1.0 1.8 3.492 101 101 A 22 LEU H A 22 LEU HDy% 1.0 1.8 4.180 102 102 A 19 THR HG2% A 23 ILE H 1.0 1.8 5.160 103 103 A 21 SER H A 23 ILE H 1.0 1.8 5.068 104 104 A 22 LEU HA A 23 ILE H 1.0 1.8 4.083 105 105 A 22 LEU HBy A 23 ILE H 1.0 1.8 3.609 106 106 A 22 LEU H A 23 ILE H 1.0 1.8 3.852 107 107 A 22 LEU H A 23 ILE H 1.0 1.8 4.078 108 108 A 23 ILE H A 23 ILE HA 1.0 1.8 4.119 109 109 A 23 ILE H A 23 ILE HB 1.0 1.8 3.860 110 110 A 23 ILE H A 23 ILE HD11 1.0 1.8 4.911 111 111 A 23 ILE H A 23 ILE HG2% 1.0 1.8 3.994 112 112 A 23 ILE HA A 24 LEU H 1.0 1.8 4.647 113 113 A 23 ILE HB A 24 LEU H 1.0 1.8 4.064 114 114 A 23 ILE H A 24 LEU H 1.0 1.8 4.179 115 115 A 23 ILE H A 24 LEU H 1.0 1.8 3.914 116 116 A 24 LEU H A 24 LEU HA 1.0 1.8 3.796 117 117 A 24 LEU H A 24 LEU HDy% 1.0 1.8 3.880 118 118 A 23 ILE HA A 25 VAL H 1.0 1.8 5.171 119 119 A 23 ILE HG2% A 25 VAL H 1.0 1.8 4.086 120 120 A 23 ILE H A 25 VAL H 1.0 1.8 5.501 121 121 A 24 LEU HA A 25 VAL H 1.0 1.8 3.870 122 122 A 25 VAL H A 24 LEU HBy 1.0 1.8 4.108 123 123 A 25 VAL H A 24 LEU HBx 1.0 1.8 4.441 124 124 A 24 LEU H A 25 VAL H 1.0 1.8 4.809 125 125 A 25 VAL H A 25 VAL HA 1.0 1.8 4.169 126 126 A 25 VAL H A 25 VAL HB 1.0 1.8 3.713 127 127 A 25 VAL H A 25 VAL HGy% 1.0 1.8 3.857 128 128 A 22 LEU HA A 26 LEU H 1.0 1.8 3.724 129 129 A 25 VAL HA A 26 LEU H 1.0 1.8 4.661 130 130 A 25 VAL HB A 26 LEU H 1.0 1.8 4.366 131 131 A 25 VAL H A 26 LEU H 1.0 1.8 3.885 132 132 A 26 LEU H A 26 LEU HA 1.0 1.8 3.724 133 133 A 26 LEU H A 26 LEU HBy 1.0 1.8 3.500 134 134 A 26 LEU H A 26 LEU HDx% 1.0 1.8 5.325 135 135 A 26 LEU H A 26 LEU HDy% 1.0 1.8 4.026 136 136 A 26 LEU H A 26 LEU HG 1.0 1.8 3.798 137 137 A 23 ILE HA A 27 ILE H 1.0 1.8 5.179 138 138 A 25 VAL HA A 27 ILE H 1.0 1.8 4.937 139 139 A 26 LEU HA A 27 ILE H 1.0 1.8 4.094 140 140 A 26 LEU HBy A 27 ILE H 1.0 1.8 3.678 141 141 A 27 ILE H A 26 LEU HBx 1.0 1.8 4.405 142 142 A 26 LEU H A 27 ILE H 1.0 1.8 3.937 143 143 A 26 LEU H A 27 ILE H 1.0 1.8 4.135 144 144 A 27 ILE H A 27 ILE HA 1.0 1.8 3.986 145 145 A 27 ILE H A 27 ILE HD11 1.0 1.8 4.872 146 146 A 27 ILE H A 27 ILE HG2% 1.0 1.8 3.973 147 147 A 24 LEU HA A 28 SER H 1.0 1.8 3.423 148 148 A 24 LEU HDy% A 28 SER H 1.0 1.8 4.173 149 149 A 25 VAL HA A 28 SER H 1.0 1.8 3.867 150 150 A 26 LEU H A 28 SER H 1.0 1.8 4.312 151 151 A 27 ILE HA A 28 SER H 1.0 1.8 3.572 152 152 A 28 SER H A 27 ILE HB 1.0 1.8 3.932 153 153 A 27 ILE HD11 A 28 SER H 1.0 1.8 5.872 154 154 A 27 ILE H A 28 SER H 1.0 1.8 4.096 155 155 A 27 ILE H A 28 SER H 1.0 1.8 4.153 156 156 A 28 SER H A 28 SER HA 1.0 1.8 5.236 157 157 A 28 SER H A 28 SER HA 1.0 1.8 3.423 158 158 A 25 VAL HA A 29 LEU H 1.0 1.8 4.416 159 159 A 27 ILE HA A 29 LEU H 1.0 1.8 4.486 160 160 A 27 ILE H A 29 LEU H 1.0 1.8 5.021 161 161 A 28 SER HA A 29 LEU H 1.0 1.8 3.455 162 162 A 28 SER H A 29 LEU H 1.0 1.8 4.006 163 163 A 28 SER H A 29 LEU H 1.0 1.8 3.918 164 164 A 27 ILE HA A 30 LEU H 1.0 1.8 4.437 165 165 A 29 LEU H A 30 LEU H 1.0 1.8 4.996 166 166 A 29 LEU H A 30 LEU H 1.0 1.8 3.707 167 167 A 30 LEU H A 30 LEU HBy 1.0 1.8 3.037 168 168 A 30 LEU H A 30 LEU HDx% 1.0 1.8 5.407 169 169 A 27 ILE HA A 31 LEU H 1.0 1.8 5.324 170 170 A 29 LEU H A 31 LEU H 1.0 1.8 4.952 171 171 A 31 LEU H A 30 LEU HA 1.0 1.8 3.753 172 172 A 30 LEU HBy A 31 LEU H 1.0 1.8 3.920 173 173 A 30 LEU H A 31 LEU H 1.0 1.8 4.518 174 174 A 30 LEU H A 31 LEU H 1.0 1.8 4.015 175 175 A 31 LEU H A 31 LEU HBx 1.0 1.8 3.359 176 176 A 31 LEU H A 31 LEU HDx% 1.0 1.8 6.000 177 177 A 31 LEU H A 31 LEU HDy% 1.0 1.8 3.941 178 178 A 31 LEU H A 31 LEU HG 1.0 1.8 4.336 179 179 A 28 SER HA A 32 THR H 1.0 1.8 4.232 180 180 A 32 THR H A 29 LEU HA 1.0 1.8 3.641 181 181 A 32 THR H A 31 LEU HA 1.0 1.8 4.082 182 182 A 32 THR H A 31 LEU HBy 1.0 1.8 4.165 183 183 A 31 LEU HBx A 32 THR H 1.0 1.8 4.789 184 184 A 31 LEU HBx A 32 THR H 1.0 1.8 4.685 185 185 A 31 LEU HDy% A 32 THR H 1.0 1.8 4.773 186 186 A 31 LEU H A 32 THR H 1.0 1.8 4.102 187 187 A 31 LEU H A 32 THR H 1.0 1.8 4.288 188 188 A 32 THR H A 32 THR HA 1.0 1.8 3.917 189 189 A 29 LEU HA A 33 VAL H 1.0 1.8 5.311 190 190 A 31 LEU HA A 33 VAL H 1.0 1.8 4.748 191 191 A 31 LEU H A 33 VAL H 1.0 1.8 4.841 192 192 A 32 THR HA A 33 VAL H 1.0 1.8 4.237 193 193 A 32 THR H A 33 VAL H 1.0 1.8 4.398 194 194 A 32 THR H A 33 VAL H 1.0 1.8 4.001 195 195 A 33 VAL H A 33 VAL HA 1.0 1.8 4.101 196 196 A 33 VAL H A 33 VAL HB 1.0 1.8 3.847 197 197 A 33 VAL H A 33 VAL HGx% 1.0 1.8 4.742 198 198 A 33 VAL H A 33 VAL HGy% 1.0 1.8 4.645 199 199 A 30 LEU HA A 34 LEU H 1.0 1.8 4.044 200 200 A 33 VAL HA A 34 LEU H 1.0 1.8 5.182 201 201 A 33 VAL HB A 34 LEU H 1.0 1.8 4.273 202 202 A 33 VAL H A 34 LEU H 1.0 1.8 4.044 203 203 A 33 VAL H A 34 LEU H 1.0 1.8 4.481 204 204 A 34 LEU H A 34 LEU HBy 1.0 1.8 3.547 205 205 A 34 LEU H A 34 LEU HDx% 1.0 1.8 5.396 206 206 A 34 LEU H A 34 LEU HDy% 1.0 1.8 4.318 207 207 A 31 LEU HA A 35 ALA H 1.0 1.8 5.525 208 208 A 31 LEU HDx% A 35 ALA H 1.0 1.8 5.852 209 209 A 31 LEU HDy% A 35 ALA H 1.0 1.8 4.721 210 210 A 35 ALA H A 34 LEU HA 1.0 1.8 3.698 211 211 A 34 LEU HBy A 35 ALA H 1.0 1.8 3.892 212 212 A 35 ALA H A 34 LEU HBx 1.0 1.8 3.090 213 213 A 34 LEU H A 35 ALA H 1.0 1.8 3.661 214 214 A 34 LEU H A 35 ALA H 1.0 1.8 4.063 215 215 A 33 VAL HA A 36 LEU H 1.0 2.0 4.985 216 216 A 34 LEU HBx A 36 LEU H 1.0 2.0 4.282 217 217 A 36 LEU H A 35 ALA HA 1.0 1.8 3.940 218 218 A 36 LEU H A 35 ALA HB% 1.0 1.8 4.213 219 219 A 35 ALA H A 36 LEU H 1.0 1.8 4.046 220 220 A 36 LEU H A 36 LEU HBy 1.0 1.8 3.594 221 221 A 36 LEU H A 36 LEU HDy% 1.0 1.8 4.319 222 222 A 33 VAL HA A 37 LEU H 1.0 1.8 5.966 223 223 A 33 VAL HGx% A 37 LEU H 1.0 1.8 4.270 224 224 A 37 LEU H A 36 LEU HA 1.0 1.8 4.206 225 225 A 36 LEU HBy A 37 LEU H 1.0 1.8 3.461 226 226 A 36 LEU H A 37 LEU H 1.0 1.8 5.293 227 227 A 37 LEU H A 37 LEU HDx% 1.0 1.8 5.813 228 228 A 37 LEU H A 37 LEU HG 1.0 1.8 4.107 229 229 A 34 LEU HA A 38 SER H 1.0 1.8 3.939 230 230 A 37 LEU H A 38 SER H 1.0 1.8 4.500 231 231 A 38 SER H A 39 HIS H 1.0 1.8 5.336 232 232 A 40 ARG H A 39 HIS HA 1.0 1.8 4.716 233 233 A 39 HIS H A 40 ARG H 1.0 1.8 4.653 234 234 A 40 ARG H A 40 ARG HA 1.0 1.8 3.501 235 235 A 40 ARG H A 40 ARG HGy 1.0 1.8 4.407 236 236 A 42 THR H A 41 ARG HA 1.0 1.8 4.805 237 237 A 42 THR H A 42 THR HA 1.0 1.8 5.265 238 238 A 40 ARG HA A 43 LEU H 1.0 1.8 4.411 239 239 A 42 THR HA A 43 LEU H 1.0 1.8 4.592 240 240 A 43 LEU H A 43 LEU HA 1.0 1.8 3.697 241 241 A 40 ARG HA A 44 GLN H 1.0 1.8 4.801 242 242 A 43 LEU HA A 44 GLN H 1.0 1.8 3.717 243 243 A 44 GLN H A 43 LEU HBy 1.0 1.8 4.265 244 244 A 44 GLN H A 43 LEU HBy 1.0 1.8 4.635 245 245 A 44 GLN H A 43 LEU HDy% 1.0 1.8 5.551 246 246 A 43 LEU H A 44 GLN H 1.0 1.8 4.379 247 247 A 44 GLN H A 44 GLN HBy 1.0 1.8 3.501 248 248 A 41 ARG HA A 45 GLN H 1.0 1.8 4.983 249 249 A 43 LEU H A 45 GLN H 1.0 1.8 5.137 250 250 A 45 GLN H A 44 GLN HA 1.0 1.8 3.807 251 251 A 44 GLN HBy A 45 GLN H 1.0 1.8 3.881 252 252 A 44 GLN H A 45 GLN H 1.0 1.8 4.216 253 253 A 44 GLN H A 45 GLN H 1.0 1.8 4.390 254 254 A 45 GLN H A 45 GLN HBy 1.0 1.8 3.440 255 255 A 44 GLN H A 46 LYS H 1.0 1.8 5.662 256 256 A 46 LYS H A 45 GLN HA 1.0 1.8 4.074 257 257 A 45 GLN HBy A 46 LYS H 1.0 1.8 4.286 258 258 A 45 GLN H A 46 LYS H 1.0 1.8 4.207 259 259 A 45 GLN H A 46 LYS H 1.0 1.8 4.168 260 260 A 43 LEU HDy% A 47 ILE H 1.0 1.8 4.652 261 261 A 47 ILE H A 46 LYS HBy 1.0 1.8 4.151 262 262 A 47 ILE H A 47 ILE HA 1.0 1.8 3.992 263 263 A 47 ILE H A 47 ILE HB 1.0 1.8 3.331 264 264 A 47 ILE H A 47 ILE HD11 1.0 1.8 4.986 265 265 A 47 ILE H A 47 ILE HG2% 1.0 1.8 5.108 266 266 A 44 GLN HA A 48 TRP H 1.0 1.8 4.424 267 267 A 47 ILE HA A 48 TRP H 1.0 1.8 4.056 268 268 A 47 ILE HB A 48 TRP H 1.0 1.8 3.519 269 269 A 47 ILE HD11 A 48 TRP H 1.0 1.8 5.364 270 270 A 47 ILE HG2% A 48 TRP H 1.0 1.8 4.812 271 271 A 47 ILE H A 48 TRP H 1.0 1.8 3.429 272 272 A 47 ILE H A 48 TRP H 1.0 1.8 3.657 273 273 A 48 TRP H A 48 TRP HA 1.0 1.8 3.969 274 274 A 48 TRP H A 48 TRP HBy 1.0 1.8 4.338 275 275 A 48 TRP H A 48 TRP HBx 1.0 1.8 3.526 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 SER C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -248.00 16.00 PHI 2 2 A 3 GLU C A 4 PRO N A 4 PRO CA A 4 PRO C 1.0 -73.21 -49.33 PHI 3 3 A 4 PRO C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -75.23 -39.87 PHI 4 4 A 5 ALA C A 6 SER N A 6 SER CA A 6 SER C 1.0 -87.00 -51.00 PHI 5 5 A 6 SER C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -87.00 -51.00 PHI 6 6 A 7 LEU C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -101.00 -41.00 PHI 7 7 A 8 LEU C A 9 THR N A 9 THR CA A 9 THR C 1.0 -132.00 -36.00 PHI 8 8 A 9 THR C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -108.00 -36.00 PHI 9 9 A 10 ALA C A 11 SER N A 11 SER CA A 11 SER C 1.0 -91.00 -51.00 PHI 10 10 A 11 SER C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -142.90 -60.52 PHI 11 11 A 12 ASP C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -254.00 10.00 PHI 12 12 A 14 ASP C A 15 PRO N A 15 PRO CA A 15 PRO C 1.0 -79.92 -44.86 PHI 13 13 A 15 PRO C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -76.68 -54.84 PHI 14 14 A 16 LEU C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -76.49 -59.01 PHI 15 15 A 17 ILE C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -81.07 -50.13 PHI 16 16 A 18 LEU C A 19 THR N A 19 THR CA A 19 THR C 1.0 -69.05 -53.15 PHI 17 17 A 19 THR C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -66.60 -55.88 PHI 18 18 A 20 LEU C A 21 SER N A 21 SER CA A 21 SER C 1.0 -81.82 -48.02 PHI 19 19 A 21 SER C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -77.10 -52.66 PHI 20 20 A 22 LEU C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -75.27 -51.81 PHI 21 21 A 23 ILE C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -72.53 -52.53 PHI 22 22 A 24 LEU C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -78.15 -55.03 PHI 23 23 A 25 VAL C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -69.97 -49.57 PHI 24 24 A 26 LEU C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -76.10 -50.66 PHI 25 25 A 27 ILE C A 28 SER N A 28 SER CA A 28 SER C 1.0 -80.57 -50.27 PHI 26 26 A 28 SER C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -72.37 -56.75 PHI 27 27 A 29 LEU C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -73.25 -52.71 PHI 28 28 A 30 LEU C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -70.38 -55.76 PHI 29 29 A 31 LEU C A 32 THR N A 32 THR CA A 32 THR C 1.0 -71.82 -53.90 PHI 30 30 A 32 THR C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -69.40 -54.38 PHI 31 31 A 33 VAL C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -68.04 -49.26 PHI 32 32 A 34 LEU C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -70.41 -57.07 PHI 33 33 A 35 ALA C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -71.16 -56.80 PHI 34 34 A 36 LEU C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -82.55 -45.97 PHI 35 35 A 37 LEU C A 38 SER N A 38 SER CA A 38 SER C 1.0 -75.55 -56.57 PHI 36 36 A 38 SER C A 39 HIS N A 39 HIS CA A 39 HIS C 1.0 -73.00 -56.04 PHI 37 37 A 39 HIS C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -83.87 -52.71 PHI 38 38 A 40 ARG C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -82.36 -55.66 PHI 39 39 A 41 ARG C A 42 THR N A 42 THR CA A 42 THR C 1.0 -79.92 -53.26 PHI 40 40 A 42 THR C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -76.88 -54.74 PHI 41 41 A 43 LEU C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -73.64 -51.26 PHI 42 42 A 44 GLN C A 45 GLN N A 45 GLN CA A 45 GLN C 1.0 -90.37 -52.65 PHI 43 43 A 45 GLN C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -117.42 -42.12 PHI 44 44 A 46 LYS C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -117.05 -58.39 PHI 45 45 A 47 ILE C A 48 TRP N A 48 TRP CA A 48 TRP C 1.0 -158.00 -66.00 PHI 46 46 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 PRO N 1.0 55.00 199.00 PSI 47 47 A 4 PRO N A 4 PRO CA A 4 PRO C A 5 ALA N 1.0 130.76 162.58 PSI 48 48 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 SER N 1.0 -61.09 -5.03 PSI 49 49 A 6 SER N A 6 SER CA A 6 SER C A 7 LEU N 1.0 -52.00 -12.00 PSI 50 50 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 LEU N 1.0 -53.00 -17.00 PSI 51 51 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 THR N 1.0 -76.00 32.00 PSI 52 52 A 9 THR N A 9 THR CA A 9 THR C A 10 ALA N 1.0 -72.00 24.00 PSI 53 53 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 SER N 1.0 -77.00 11.00 PSI 54 54 A 11 SER N A 11 SER CA A 11 SER C A 12 ASP N 1.0 -71.00 -3.00 PSI 55 55 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 LEU N 1.0 -41.91 40.77 PSI 56 56 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 PRO N 1.0 84.96 172.40 PSI 57 57 A 15 PRO N A 15 PRO CA A 15 PRO C A 16 LEU N 1.0 -56.72 3.60 PSI 58 58 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 ILE N 1.0 -53.20 -22.84 PSI 59 59 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 LEU N 1.0 -48.20 -20.80 PSI 60 60 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 THR N 1.0 -56.07 -24.69 PSI 61 61 A 19 THR N A 19 THR CA A 19 THR C A 20 LEU N 1.0 -51.66 -39.06 PSI 62 62 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 SER N 1.0 -43.83 -35.01 PSI 63 63 A 21 SER N A 21 SER CA A 21 SER C A 22 LEU N 1.0 -52.95 -33.21 PSI 64 64 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 ILE N 1.0 -47.75 -33.27 PSI 65 65 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 LEU N 1.0 -60.78 -32.86 PSI 66 66 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 VAL N 1.0 -59.25 -17.47 PSI 67 67 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 LEU N 1.0 -52.36 -36.06 PSI 68 68 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 ILE N 1.0 -53.78 -29.16 PSI 69 69 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 SER N 1.0 -53.34 -31.14 PSI 70 70 A 28 SER N A 28 SER CA A 28 SER C A 29 LEU N 1.0 -55.48 -25.46 PSI 71 71 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 LEU N 1.0 -54.27 -36.39 PSI 72 72 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 LEU N 1.0 -57.13 -26.01 PSI 73 73 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 THR N 1.0 -54.09 -21.15 PSI 74 74 A 32 THR N A 32 THR CA A 32 THR C A 33 VAL N 1.0 -54.77 -32.39 PSI 75 75 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 LEU N 1.0 -58.48 -32.38 PSI 76 76 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 ALA N 1.0 -49.75 -25.89 PSI 77 77 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 LEU N 1.0 -51.98 -33.64 PSI 78 78 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 LEU N 1.0 -52.83 -37.21 PSI 79 79 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 SER N 1.0 -60.97 -13.11 PSI 80 80 A 38 SER N A 38 SER CA A 38 SER C A 39 HIS N 1.0 -47.62 -28.32 PSI 81 81 A 39 HIS N A 39 HIS CA A 39 HIS C A 40 ARG N 1.0 -55.30 -29.24 PSI 82 82 A 40 ARG N A 40 ARG CA A 40 ARG C A 41 ARG N 1.0 -48.00 -30.98 PSI 83 83 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 THR N 1.0 -46.11 -28.13 PSI 84 84 A 42 THR N A 42 THR CA A 42 THR C A 43 LEU N 1.0 -55.89 -19.99 PSI 85 85 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 GLN N 1.0 -52.91 -26.37 PSI 86 86 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 GLN N 1.0 -54.93 -18.17 PSI 87 87 A 45 GLN N A 45 GLN CA A 45 GLN C A 46 LYS N 1.0 -52.39 -9.07 PSI 88 88 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 ILE N 1.0 -87.91 30.41 PSI 89 89 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 TRP N 1.0 -71.06 21.32 PSI 90 90 A 48 TRP N A 48 TRP CA A 48 TRP C A 49 PRO N 1.0 19.00 183.00 PSI stop_ save_