data_nef_c25961_2nb4 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 2NB4 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 PRO start . false 2 A 2 LEU middle . . 3 A 3 THR middle . . 4 A 4 ARG middle . . 5 A 5 PRO middle . false 6 A 6 TYR middle . . 7 A 7 LEU middle . . 8 A 8 GLY middle . false 9 A 9 PHE middle . . 10 A 10 ARG middle . . 11 A 11 VAL middle . . 12 A 12 ALA middle . . 13 A 13 VAL middle . . 14 A 14 GLY middle . false 15 A 15 ARG middle . . 16 A 16 ASP middle . . 17 A 17 SER middle . . 18 A 18 SER middle . . 19 A 19 GLY middle . false 20 A 20 CYS middle . . 21 A 21 THR middle . . 22 A 22 THR middle . . 23 A 23 LEU middle . . 24 A 24 SER middle . . 25 A 25 ILE middle . . 26 A 26 GLN middle . . 27 A 27 GLU middle . . 28 A 28 VAL middle . . 29 A 29 THR middle . . 30 A 30 GLN middle . . 31 A 31 THR middle . . 32 A 32 TYR middle . . 33 A 33 THR middle . . 34 A 34 GLY middle . false 35 A 35 SER middle . . 36 A 36 ASN middle . . 37 A 37 GLY middle . false 38 A 38 GLY middle . false 39 A 39 ALA middle . . 40 A 40 ASP middle . . 41 A 41 LEU middle . . 42 A 42 MET middle . . 43 A 43 GLY middle . false 44 A 44 PRO middle . false 45 A 45 ALA middle . . 46 A 46 PHE middle . . 47 A 47 ALA middle . . 48 A 48 ALA middle . . 49 A 49 GLY middle . false 50 A 50 LEU middle . . 51 A 51 ARG middle . . 52 A 52 VAL middle . . 53 A 53 GLY middle . false 54 A 54 ASP middle . . 55 A 55 GLN middle . . 56 A 56 LEU middle . . 57 A 57 VAL middle . . 58 A 58 ARG middle . . 59 A 59 PHE middle . . 60 A 60 ALA middle . . 61 A 61 GLY middle . false 62 A 62 TYR middle . . 63 A 63 THR middle . . 64 A 64 VAL middle . . 65 A 65 THR middle . . 66 A 66 GLU middle . . 67 A 67 LEU middle . . 68 A 68 ALA middle . . 69 A 69 ALA middle . . 70 A 70 PHE middle . . 71 A 71 ASN middle . . 72 A 72 THR middle . . 73 A 73 VAL middle . . 74 A 74 VAL middle . . 75 A 75 ALA middle . . 76 A 76 ARG middle . . 77 A 77 HIS middle . . 78 A 78 VAL middle . . 79 A 79 ARG middle . . 80 A 80 PRO middle . false 81 A 81 SER middle . . 82 A 82 ALA middle . . 83 A 83 SER middle . . 84 A 84 ILE middle . . 85 A 85 PRO middle . false 86 A 86 VAL middle . . 87 A 87 VAL middle . . 88 A 88 PHE middle . . 89 A 89 SER middle . . 90 A 90 ARG middle . . 91 A 91 ASP middle . . 92 A 92 GLY middle . false 93 A 93 VAL middle . . 94 A 94 VAL middle . . 95 A 95 MET middle . . 96 A 96 SER middle . . 97 A 97 ALA middle . . 98 A 98 THR middle . . 99 A 99 ILE middle . . 100 A 100 VAL middle . . 101 A 101 VAL middle . . 102 A 102 GLY middle . false 103 A 103 GLU middle . . 104 A 104 LEU middle . . 105 A 105 GLU 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 PRO HA H 1 4.382 . A 1 PRO HBx H 1 1.870 . A 1 PRO HBy H 1 2.202 . A 1 PRO HDx H 1 3.648 . A 1 PRO HDy H 1 3.648 . A 1 PRO HGx H 1 1.917 . A 1 PRO HGy H 1 1.917 . A 1 PRO CA C 13 62.063 . A 1 PRO CB C 13 31.007 . A 1 PRO CD C 13 49.547 . A 1 PRO CG C 13 26.243 . A 2 LEU H H 1 8.535 . A 2 LEU HA H 1 4.392 . A 2 LEU HBx H 1 1.593 . A 2 LEU HBy H 1 1.593 . A 2 LEU HDx% H 1 0.819 . A 2 LEU HDy% H 1 0.819 . A 2 LEU CA C 13 54.332 . A 2 LEU CB C 13 41.317 . A 2 LEU CDy C 13 23.437 . A 2 LEU CDx C 13 22.435 . A 2 LEU CG C 13 25.798 . A 2 LEU N N 15 122.611 . A 3 THR H H 1 7.903 . A 3 THR HA H 1 4.777 . A 3 THR HB H 1 4.100 . A 3 THR HG2% H 1 1.064 . A 3 THR CA C 13 59.259 . A 3 THR CB C 13 70.185 . A 3 THR CG2 C 13 20.996 . A 3 THR N N 15 112.475 . A 4 ARG H H 1 8.809 . A 4 ARG N N 15 120.183 . A 5 PRO HA H 1 4.372 . A 5 PRO HBx H 1 2.000 . A 5 PRO HBy H 1 2.000 . A 5 PRO CA C 13 65.017 . A 5 PRO CB C 13 31.588 . A 5 PRO CD C 13 49.730 . A 5 PRO CG C 13 26.192 . A 6 TYR H H 1 7.530 . A 6 TYR HA H 1 4.634 . A 6 TYR HBy H 1 2.558 . A 6 TYR HBx H 1 2.114 . A 6 TYR CA C 13 56.076 . A 6 TYR CB C 13 41.054 . A 6 TYR N N 15 120.727 . A 7 LEU H H 1 8.500 . A 7 LEU CB C 13 42.407 . A 7 LEU N N 15 126.575 . A 8 GLY HAy H 1 3.685 . A 8 GLY HAx H 1 3.336 . A 8 GLY CA C 13 45.707 . A 9 PHE H H 1 7.102 . A 9 PHE HA H 1 5.358 . A 9 PHE HBy H 1 3.256 . A 9 PHE HBx H 1 2.878 . A 9 PHE CA C 13 55.262 . A 9 PHE CB C 13 39.454 . A 9 PHE N N 15 114.612 . A 10 ARG H H 1 8.206 . A 10 ARG HA H 1 4.671 . A 10 ARG HBy H 1 1.833 . A 10 ARG HBx H 1 1.517 . A 10 ARG HDx H 1 3.117 . A 10 ARG HDy H 1 3.117 . A 10 ARG CA C 13 53.399 . A 10 ARG CB C 13 33.815 . A 10 ARG CD C 13 42.261 . A 10 ARG CG C 13 26.318 . A 10 ARG N N 15 117.800 . A 11 VAL H H 1 8.601 . A 11 VAL HA H 1 5.167 . A 11 VAL HB H 1 1.620 . A 11 VAL HGx% H 1 0.323 . A 11 VAL HGy% H 1 0.323 . A 11 VAL CA C 13 58.190 . A 11 VAL CB C 13 33.875 . A 11 VAL CGy C 13 21.061 . A 11 VAL CGx C 13 17.887 . A 11 VAL N N 15 117.216 . A 12 ALA H H 1 8.861 . A 12 ALA HA H 1 4.580 . A 12 ALA HB% H 1 1.250 . A 12 ALA CA C 13 49.543 . A 12 ALA CB C 13 21.782 . A 12 ALA N N 15 123.025 . A 13 VAL H H 1 8.585 . A 13 VAL HA H 1 4.551 . A 13 VAL HB H 1 1.955 . A 13 VAL HGx% H 1 1.012 . A 13 VAL HGy% H 1 1.012 . A 13 VAL CA C 13 61.283 . A 13 VAL CB C 13 31.694 . A 13 VAL CGx C 13 20.938 . A 13 VAL N N 15 121.395 . A 14 GLY H H 1 8.789 . A 14 GLY HAy H 1 4.450 . A 14 GLY HAx H 1 3.616 . A 14 GLY CA C 13 43.384 . A 14 GLY N N 15 117.546 . A 15 ARG H H 1 8.299 . A 15 ARG HA H 1 5.110 . A 15 ARG HBx H 1 1.577 . A 15 ARG HBy H 1 1.577 . A 15 ARG HDx H 1 3.058 . A 15 ARG HDy H 1 3.058 . A 15 ARG HE H 1 8.413 . A 15 ARG CA C 13 53.893 . A 15 ARG CB C 13 32.756 . A 15 ARG CD C 13 42.219 . A 15 ARG CG C 13 26.080 . A 15 ARG N N 15 120.075 . A 16 ASP H H 1 8.619 . A 16 ASP HA H 1 4.745 . A 16 ASP HBy H 1 3.289 . A 16 ASP HBx H 1 2.570 . A 16 ASP CA C 13 51.371 . A 16 ASP CB C 13 40.752 . A 16 ASP N N 15 123.872 . A 17 SER H H 1 8.624 . A 17 SER HA H 1 4.196 . A 17 SER HBx H 1 3.967 . A 17 SER HBy H 1 3.967 . A 17 SER CA C 13 59.950 . A 17 SER CB C 13 61.825 . A 17 SER N N 15 114.309 . A 18 SER H H 1 8.385 . A 18 SER HA H 1 4.597 . A 18 SER HBx H 1 3.996 . A 18 SER HBy H 1 3.996 . A 18 SER CA C 13 57.732 . A 18 SER CB C 13 63.470 . A 18 SER N N 15 117.903 . A 19 GLY H H 1 8.214 . A 19 GLY HAy H 1 4.330 . A 19 GLY HAx H 1 3.561 . A 19 GLY CA C 13 44.171 . A 19 GLY N N 15 109.883 . A 20 CYS H H 1 8.286 . A 20 CYS HA H 1 4.488 . A 20 CYS HBx H 1 2.975 . A 20 CYS HBy H 1 2.975 . A 20 CYS CA C 13 58.037 . A 20 CYS CB C 13 26.685 . A 20 CYS N N 15 122.167 . A 21 THR H H 1 8.626 . A 21 THR HA H 1 4.764 . A 21 THR HB H 1 4.178 . A 21 THR HG2% H 1 1.258 . A 21 THR CA C 13 61.953 . A 21 THR CB C 13 68.795 . A 21 THR CG2 C 13 21.448 . A 21 THR N N 15 119.387 . A 22 THR H H 1 8.343 . A 22 THR HA H 1 4.513 . A 22 THR HB H 1 3.896 . A 22 THR HG2% H 1 0.987 . A 22 THR CA C 13 58.918 . A 22 THR CB C 13 71.128 . A 22 THR CG2 C 13 20.590 . A 22 THR N N 15 116.611 . A 23 LEU H H 1 9.157 . A 23 LEU HA H 1 4.932 . A 23 LEU HBy H 1 1.593 . A 23 LEU HBx H 1 0.841 . A 23 LEU HDx% H 1 0.428 . A 23 LEU HDy% H 1 0.428 . A 23 LEU HG H 1 1.253 . A 23 LEU CA C 13 52.487 . A 23 LEU CB C 13 42.265 . A 23 LEU CDy C 13 24.297 . A 23 LEU CDx C 13 23.010 . A 23 LEU N N 15 122.893 . A 24 SER H H 1 8.656 . A 24 SER HA H 1 5.173 . A 24 SER HBx H 1 3.516 . A 24 SER HBy H 1 3.516 . A 24 SER CA C 13 55.247 . A 24 SER CB C 13 64.841 . A 24 SER N N 15 116.771 . A 25 ILE H H 1 9.023 . A 25 ILE HA H 1 4.031 . A 25 ILE HB H 1 2.034 . A 25 ILE CA C 13 61.270 . A 25 ILE CB C 13 34.649 . A 25 ILE CG2 C 13 18.299 . A 25 ILE N N 15 122.747 . A 26 GLN H H 1 9.093 . A 26 GLN HA H 1 4.429 . A 26 GLN HBy H 1 1.830 . A 26 GLN HBx H 1 1.752 . A 26 GLN HE2y H 1 6.820 . A 26 GLN HGx H 1 2.195 . A 26 GLN HGy H 1 2.195 . A 26 GLN CA C 13 54.587 . A 26 GLN CB C 13 30.276 . A 26 GLN CG C 13 32.532 . A 26 GLN N N 15 129.779 . A 26 GLN NE2 N 15 112.281 . A 27 GLU H H 1 7.479 . A 27 GLU CA C 13 54.964 . A 27 GLU CB C 13 33.022 . A 27 GLU N N 15 118.722 . A 28 VAL HA H 1 4.443 . A 28 VAL HB H 1 1.923 . A 28 VAL HGx% H 1 0.920 . A 28 VAL HGy% H 1 0.621 . A 28 VAL CA C 13 61.155 . A 28 VAL CB C 13 33.680 . A 28 VAL CGx C 13 20.927 . A 28 VAL CGy C 13 20.927 . A 29 THR H H 1 8.009 . A 29 THR HA H 1 4.183 . A 29 THR HB H 1 3.928 . A 29 THR HG2% H 1 1.359 . A 29 THR CA C 13 62.474 . A 29 THR CB C 13 68.811 . A 29 THR CG2 C 13 21.873 . A 29 THR N N 15 124.459 . A 30 GLN H H 1 9.321 . A 30 GLN HA H 1 3.522 . A 30 GLN HBx H 1 1.703 . A 30 GLN HBy H 1 1.703 . A 30 GLN HE2y H 1 6.735 . A 30 GLN HGx H 1 1.381 . A 30 GLN HGy H 1 1.381 . A 30 GLN CA C 13 58.886 . A 30 GLN CB C 13 27.305 . A 30 GLN CG C 13 32.360 . A 30 GLN N N 15 130.053 . A 30 GLN NE2 N 15 111.068 . A 31 THR H H 1 7.630 . A 31 THR HA H 1 5.509 . A 31 THR HB H 1 3.858 . A 31 THR HG2% H 1 1.032 . A 31 THR CA C 13 58.798 . A 31 THR CB C 13 71.374 . A 31 THR CG2 C 13 20.935 . A 31 THR N N 15 111.234 . A 32 TYR H H 1 9.359 . A 32 TYR HA H 1 4.803 . A 32 TYR HBy H 1 2.902 . A 32 TYR HBx H 1 2.665 . A 32 TYR CA C 13 54.799 . A 32 TYR CB C 13 39.718 . A 32 TYR N N 15 121.998 . A 33 THR H H 1 7.985 . A 33 THR HA H 1 4.390 . A 33 THR HB H 1 3.893 . A 33 THR HG2% H 1 1.126 . A 33 THR CA C 13 59.896 . A 33 THR CB C 13 69.135 . A 33 THR CG2 C 13 20.731 . A 33 THR N N 15 114.039 . A 34 GLY H H 1 8.698 . A 34 GLY HAy H 1 4.332 . A 34 GLY HAx H 1 3.710 . A 34 GLY CA C 13 44.072 . A 34 GLY N N 15 113.445 . A 35 SER H H 1 8.039 . A 35 SER HA H 1 4.264 . A 35 SER HBx H 1 3.730 . A 35 SER HBy H 1 3.730 . A 35 SER CA C 13 57.651 . A 35 SER CB C 13 63.056 . A 35 SER N N 15 113.837 . A 36 ASN H H 1 8.767 . A 36 ASN HA H 1 4.584 . A 36 ASN HBx H 1 2.764 . A 36 ASN HBy H 1 2.764 . A 36 ASN HD2y H 1 7.620 . A 36 ASN HD2x H 1 6.915 . A 36 ASN CA C 13 52.781 . A 36 ASN CB C 13 37.186 . A 36 ASN N N 15 119.749 . A 37 GLY H H 1 8.496 . A 37 GLY HAy H 1 4.054 . A 37 GLY HAx H 1 3.686 . A 37 GLY CA C 13 44.585 . A 37 GLY N N 15 110.628 . A 38 GLY H H 1 7.955 . A 38 GLY HAy H 1 3.911 . A 38 GLY HAx H 1 3.795 . A 38 GLY CA C 13 44.100 . A 38 GLY N N 15 108.654 . A 39 ALA H H 1 8.028 . A 39 ALA HA H 1 4.211 . A 39 ALA HB% H 1 1.283 . A 39 ALA CA C 13 50.838 . A 39 ALA CB C 13 18.729 . A 39 ALA N N 15 123.326 . A 40 ASP H H 1 8.261 . A 40 ASP HA H 1 4.387 . A 40 ASP HBx H 1 2.401 . A 40 ASP HBy H 1 2.401 . A 40 ASP CA C 13 53.994 . A 40 ASP CB C 13 39.627 . A 40 ASP N N 15 119.573 . A 41 LEU H H 1 8.663 . A 41 LEU HA H 1 4.442 . A 41 LEU HBy H 1 1.153 . A 41 LEU HBx H 1 0.908 . A 41 LEU HDx% H 1 0.730 . A 41 LEU HDy% H 1 0.730 . A 41 LEU CA C 13 52.221 . A 41 LEU CB C 13 43.009 . A 41 LEU CDx C 13 24.596 . A 41 LEU CDy C 13 24.596 . A 41 LEU N N 15 123.899 . A 42 MET H H 1 8.553 . A 42 MET HA H 1 4.730 . A 42 MET HBy H 1 2.233 . A 42 MET HBx H 1 2.026 . A 42 MET HGx H 1 2.898 . A 42 MET HGy H 1 2.898 . A 42 MET CA C 13 54.695 . A 42 MET CB C 13 32.194 . A 42 MET CG C 13 31.046 . A 42 MET N N 15 119.684 . A 43 GLY H H 1 8.618 . A 43 GLY CA C 13 43.378 . A 43 GLY N N 15 113.052 . A 44 PRO HA H 1 4.720 . A 44 PRO HBx H 1 1.630 . A 44 PRO HBy H 1 1.630 . A 44 PRO HDx H 1 3.766 . A 44 PRO HDy H 1 3.766 . A 44 PRO CA C 13 61.231 . A 44 PRO CB C 13 31.953 . A 44 PRO CD C 13 49.350 . A 45 ALA H H 1 7.524 . A 45 ALA HA H 1 3.984 . A 45 ALA HB% H 1 1.400 . A 45 ALA CA C 13 53.804 . A 45 ALA CB C 13 17.967 . A 45 ALA N N 15 120.693 . A 46 PHE H H 1 8.603 . A 46 PHE HA H 1 3.962 . A 46 PHE HBx H 1 3.119 . A 46 PHE HBy H 1 3.119 . A 46 PHE CA C 13 60.326 . A 46 PHE CB C 13 38.620 . A 46 PHE N N 15 122.306 . A 47 ALA H H 1 9.199 . A 47 ALA HA H 1 4.088 . A 47 ALA HB% H 1 1.527 . A 47 ALA CA C 13 53.951 . A 47 ALA CB C 13 17.647 . A 47 ALA N N 15 123.253 . A 48 ALA H H 1 7.262 . A 48 ALA HA H 1 4.303 . A 48 ALA HB% H 1 1.370 . A 48 ALA CA C 13 51.687 . A 48 ALA CB C 13 18.772 . A 48 ALA N N 15 117.571 . A 49 GLY H H 1 7.461 . A 49 GLY HAy H 1 4.176 . A 49 GLY HAx H 1 3.436 . A 49 GLY CA C 13 43.619 . A 49 GLY N N 15 103.229 . A 50 LEU H H 1 7.224 . A 50 LEU HA H 1 3.518 . A 50 LEU HBy H 1 1.023 . A 50 LEU HBx H 1 0.755 . A 50 LEU HDx% H 1 0.151 . A 50 LEU HDy% H 1 0.151 . A 50 LEU CA C 13 54.412 . A 50 LEU CB C 13 40.955 . A 50 LEU CDy C 13 23.807 . A 50 LEU CDx C 13 21.862 . A 50 LEU N N 15 120.470 . A 51 ARG H H 1 8.678 . A 51 ARG HBy H 1 1.690 . A 51 ARG HBx H 1 1.492 . A 51 ARG HDx H 1 3.197 . A 51 ARG HDy H 1 3.197 . A 51 ARG CA C 13 52.491 . A 51 ARG CB C 13 33.816 . A 51 ARG CD C 13 42.662 . A 51 ARG CG C 13 25.737 . A 51 ARG N N 15 119.645 . A 52 VAL H H 1 8.482 . A 52 VAL HA H 1 3.223 . A 52 VAL HB H 1 1.830 . A 52 VAL HGx% H 1 0.897 . A 52 VAL HGy% H 1 0.897 . A 52 VAL CA C 13 64.218 . A 52 VAL CB C 13 30.149 . A 52 VAL CGy C 13 22.327 . A 52 VAL CGx C 13 20.047 . A 52 VAL N N 15 119.995 . A 53 GLY H H 1 9.122 . A 53 GLY HAy H 1 4.495 . A 53 GLY HAx H 1 3.573 . A 53 GLY CA C 13 43.425 . A 53 GLY N N 15 117.052 . A 54 ASP H H 1 7.848 . A 54 ASP HA H 1 4.833 . A 54 ASP HBy H 1 2.469 . A 54 ASP HBx H 1 2.181 . A 54 ASP CA C 13 54.734 . A 54 ASP CB C 13 40.279 . A 54 ASP N N 15 124.203 . A 55 GLN H H 1 9.158 . A 55 GLN HA H 1 4.867 . A 55 GLN HBx H 1 2.086 . A 55 GLN HBy H 1 2.086 . A 55 GLN HE2y H 1 7.438 . A 55 GLN HE2x H 1 6.932 . A 55 GLN HGy H 1 2.382 . A 55 GLN HGx H 1 2.162 . A 55 GLN CA C 13 53.526 . A 55 GLN CB C 13 29.032 . A 55 GLN CG C 13 32.528 . A 55 GLN N N 15 121.703 . A 55 GLN NE2 N 15 111.575 . A 56 LEU H H 1 8.770 . A 56 LEU HA H 1 4.187 . A 56 LEU HBy H 1 1.511 . A 56 LEU HBx H 1 1.346 . A 56 LEU HDx% H 1 0.624 . A 56 LEU HDy% H 1 0.624 . A 56 LEU CA C 13 55.195 . A 56 LEU CB C 13 42.013 . A 56 LEU CDx C 13 24.005 . A 56 LEU CG C 13 26.136 . A 56 LEU N N 15 124.733 . A 57 VAL H H 1 8.889 . A 57 VAL HA H 1 4.308 . A 57 VAL HB H 1 1.654 . A 57 VAL HGx% H 1 0.877 . A 57 VAL HGy% H 1 0.877 . A 57 VAL CA C 13 63.143 . A 57 VAL CB C 13 32.635 . A 57 VAL CGx C 13 19.708 . A 57 VAL CGy C 13 19.708 . A 57 VAL N N 15 123.383 . A 58 ARG H H 1 8.531 . A 58 ARG HA H 1 5.338 . A 58 ARG HBx H 1 1.495 . A 58 ARG HBy H 1 1.495 . A 58 ARG HDx H 1 2.939 . A 58 ARG HDy H 1 2.939 . A 58 ARG CA C 13 54.212 . A 58 ARG CB C 13 34.613 . A 58 ARG CD C 13 42.360 . A 58 ARG CG C 13 26.920 . A 58 ARG N N 15 118.094 . A 59 PHE H H 1 9.295 . A 59 PHE HA H 1 4.935 . A 59 PHE HBy H 1 3.232 . A 59 PHE HBx H 1 2.920 . A 59 PHE CA C 13 56.856 . A 59 PHE CB C 13 42.971 . A 59 PHE N N 15 123.332 . A 60 ALA H H 1 8.356 . A 60 ALA HA H 1 3.587 . A 60 ALA HB% H 1 1.190 . A 60 ALA CA C 13 52.374 . A 60 ALA CB C 13 15.473 . A 60 ALA N N 15 127.537 . A 61 GLY H H 1 9.178 . A 61 GLY HAy H 1 4.001 . A 61 GLY HAx H 1 3.256 . A 61 GLY CA C 13 43.787 . A 61 GLY N N 15 103.058 . A 62 TYR H H 1 7.888 . A 62 TYR HA H 1 4.630 . A 62 TYR HBx H 1 3.023 . A 62 TYR HBy H 1 3.023 . A 62 TYR CA C 13 56.577 . A 62 TYR CB C 13 38.892 . A 62 TYR N N 15 120.218 . A 63 THR H H 1 9.108 . A 63 THR HA H 1 4.479 . A 63 THR HB H 1 4.176 . A 63 THR HG2% H 1 1.300 . A 63 THR CA C 13 62.851 . A 63 THR CB C 13 67.848 . A 63 THR CG2 C 13 21.168 . A 63 THR N N 15 120.933 . A 64 VAL H H 1 7.782 . A 64 VAL HA H 1 4.599 . A 64 VAL HB H 1 2.029 . A 64 VAL HGx% H 1 1.016 . A 64 VAL HGy% H 1 1.016 . A 64 VAL CA C 13 58.867 . A 64 VAL CB C 13 33.004 . A 64 VAL CGy C 13 22.194 . A 64 VAL CGx C 13 18.889 . A 64 VAL N N 15 121.039 . A 65 THR H H 1 9.053 . A 65 THR HA H 1 4.452 . A 65 THR HB H 1 4.312 . A 65 THR HG2% H 1 1.164 . A 65 THR CA C 13 60.536 . A 65 THR CB C 13 69.037 . A 65 THR CG2 C 13 21.146 . A 65 THR N N 15 114.373 . A 66 GLU H H 1 7.345 . A 66 GLU HA H 1 4.563 . A 66 GLU HBy H 1 2.259 . A 66 GLU HBx H 1 1.996 . A 66 GLU HGx H 1 2.291 . A 66 GLU HGy H 1 2.291 . A 66 GLU CA C 13 53.387 . A 66 GLU CB C 13 31.565 . A 66 GLU CG C 13 34.539 . A 66 GLU N N 15 115.766 . A 67 LEU H H 1 8.906 . A 67 LEU HA H 1 3.934 . A 67 LEU HBy H 1 1.724 . A 67 LEU HBx H 1 1.430 . A 67 LEU HDx% H 1 0.844 . A 67 LEU HDy% H 1 0.844 . A 67 LEU CA C 13 57.535 . A 67 LEU CB C 13 41.053 . A 67 LEU CDx C 13 23.337 . A 67 LEU CDy C 13 23.337 . A 67 LEU N N 15 124.674 . A 68 ALA H H 1 9.022 . A 68 ALA HA H 1 4.136 . A 68 ALA HB% H 1 1.433 . A 68 ALA CA C 13 54.674 . A 68 ALA CB C 13 16.521 . A 68 ALA N N 15 120.493 . A 69 ALA H H 1 7.258 . A 69 ALA HA H 1 4.162 . A 69 ALA HB% H 1 1.616 . A 69 ALA CA C 13 54.020 . A 69 ALA CB C 13 17.663 . A 69 ALA N N 15 119.695 . A 70 PHE H H 1 7.769 . A 70 PHE HA H 1 3.959 . A 70 PHE HBy H 1 3.148 . A 70 PHE HBx H 1 2.869 . A 70 PHE CA C 13 60.960 . A 70 PHE CB C 13 38.432 . A 70 PHE N N 15 119.274 . A 71 ASN H H 1 8.801 . A 71 ASN HA H 1 4.102 . A 71 ASN HBy H 1 2.886 . A 71 ASN HBx H 1 2.690 . A 71 ASN HD2y H 1 6.647 . A 71 ASN CA C 13 54.697 . A 71 ASN CB C 13 36.073 . A 71 ASN N N 15 117.363 . A 71 ASN ND2 N 15 110.152 . A 72 THR H H 1 8.109 . A 72 THR HA H 1 4.220 . A 72 THR HB H 1 3.908 . A 72 THR HG2% H 1 1.115 . A 72 THR CA C 13 65.927 . A 72 THR CB C 13 67.600 . A 72 THR CG2 C 13 20.438 . A 72 THR N N 15 119.746 . A 73 VAL H H 1 7.744 . A 73 VAL HA H 1 3.455 . A 73 VAL HB H 1 2.120 . A 73 VAL HGx% H 1 0.979 . A 73 VAL HGy% H 1 0.685 . A 73 VAL CA C 13 66.156 . A 73 VAL CB C 13 30.336 . A 73 VAL CGx C 13 21.406 . A 73 VAL CGy C 13 21.406 . A 73 VAL N N 15 123.156 . A 74 VAL H H 1 8.154 . A 74 VAL HA H 1 3.366 . A 74 VAL HB H 1 1.743 . A 74 VAL HGx% H 1 0.653 . A 74 VAL HGy% H 1 0.653 . A 74 VAL CA C 13 65.598 . A 74 VAL CB C 13 30.485 . A 74 VAL CGy C 13 21.958 . A 74 VAL CGx C 13 19.720 . A 74 VAL N N 15 120.420 . A 75 ALA H H 1 7.788 . A 75 ALA HA H 1 3.995 . A 75 ALA HB% H 1 1.427 . A 75 ALA CA C 13 53.999 . A 75 ALA CB C 13 16.964 . A 75 ALA N N 15 120.206 . A 76 ARG H H 1 7.705 . A 76 ARG HA H 1 4.085 . A 76 ARG HBy H 1 1.470 . A 76 ARG HBx H 1 1.254 . A 76 ARG HDx H 1 2.952 . A 76 ARG HDy H 1 2.952 . A 76 ARG HGx H 1 1.136 . A 76 ARG HGy H 1 1.136 . A 76 ARG CA C 13 56.982 . A 76 ARG CB C 13 30.684 . A 76 ARG CD C 13 42.333 . A 76 ARG CG C 13 25.862 . A 76 ARG N N 15 114.701 . A 77 HIS H H 1 8.123 . A 77 HIS HA H 1 4.810 . A 77 HIS HBy H 1 3.225 . A 77 HIS HBx H 1 2.820 . A 77 HIS CA C 13 56.161 . A 77 HIS CB C 13 31.033 . A 77 HIS N N 15 112.695 . A 78 VAL H H 1 8.034 . A 78 VAL HA H 1 3.893 . A 78 VAL HB H 1 2.700 . A 78 VAL HGx% H 1 1.104 . A 78 VAL HGy% H 1 0.893 . A 78 VAL CA C 13 63.565 . A 78 VAL CB C 13 29.128 . A 78 VAL CGy C 13 22.864 . A 78 VAL CGx C 13 20.669 . A 78 VAL N N 15 119.219 . A 79 ARG H H 1 7.023 . A 79 ARG CA C 13 51.361 . A 79 ARG CB C 13 30.191 . A 79 ARG N N 15 126.908 . A 80 PRO HA H 1 4.025 . A 80 PRO HBx H 1 1.894 . A 80 PRO HBy H 1 2.172 . A 80 PRO HGx H 1 1.595 . A 80 PRO HGy H 1 1.595 . A 80 PRO CA C 13 63.570 . A 80 PRO CB C 13 31.212 . A 80 PRO CD C 13 49.577 . A 80 PRO CG C 13 27.001 . A 81 SER H H 1 8.210 . A 81 SER HA H 1 4.047 . A 81 SER HBx H 1 3.990 . A 81 SER HBy H 1 3.990 . A 81 SER CA C 13 60.713 . A 81 SER N N 15 115.039 . A 82 ALA H H 1 7.770 . A 82 ALA HA H 1 4.346 . A 82 ALA HB% H 1 1.463 . A 82 ALA CA C 13 51.506 . A 82 ALA CB C 13 19.095 . A 82 ALA N N 15 123.546 . A 83 SER H H 1 8.524 . A 83 SER HA H 1 5.129 . A 83 SER HBy H 1 3.707 . A 83 SER HBx H 1 3.541 . A 83 SER CA C 13 56.582 . A 83 SER CB C 13 62.554 . A 83 SER N N 15 116.753 . A 84 ILE H H 1 9.599 . A 84 ILE CA C 13 54.786 . A 84 ILE CB C 13 38.424 . A 84 ILE N N 15 126.985 . A 85 PRO HA H 1 4.945 . A 85 PRO HBx H 1 1.834 . A 85 PRO HBy H 1 2.231 . A 85 PRO HGx H 1 1.908 . A 85 PRO HGy H 1 1.908 . A 85 PRO CA C 13 61.554 . A 85 PRO CB C 13 31.427 . A 85 PRO CD C 13 50.560 . A 85 PRO CG C 13 26.059 . A 86 VAL H H 1 9.033 . A 86 VAL HA H 1 4.849 . A 86 VAL HB H 1 2.033 . A 86 VAL HGx% H 1 1.031 . A 86 VAL HGy% H 1 1.031 . A 86 VAL CA C 13 59.773 . A 86 VAL CB C 13 34.644 . A 86 VAL N N 15 123.811 . A 87 VAL H H 1 9.132 . A 87 VAL HA H 1 4.972 . A 87 VAL HB H 1 1.756 . A 87 VAL HGx% H 1 0.856 . A 87 VAL HGy% H 1 0.856 . A 87 VAL CA C 13 60.693 . A 87 VAL CB C 13 32.418 . A 87 VAL CGx C 13 19.749 . A 87 VAL CGy C 13 19.749 . A 87 VAL N N 15 127.839 . A 88 PHE H H 1 9.248 . A 88 PHE HA H 1 5.618 . A 88 PHE HBy H 1 2.870 . A 88 PHE HBx H 1 2.629 . A 88 PHE CA C 13 54.211 . A 88 PHE CB C 13 41.002 . A 88 PHE N N 15 127.301 . A 89 SER H H 1 9.689 . A 89 SER HA H 1 5.336 . A 89 SER HBy H 1 3.531 . A 89 SER HBx H 1 3.314 . A 89 SER CA C 13 54.452 . A 89 SER CB C 13 64.474 . A 89 SER N N 15 113.734 . A 90 ARG H H 1 8.561 . A 90 ARG HA H 1 4.747 . A 90 ARG HBy H 1 1.952 . A 90 ARG HBx H 1 1.700 . A 90 ARG HGx H 1 1.609 . A 90 ARG HGy H 1 1.609 . A 90 ARG CA C 13 54.122 . A 90 ARG CB C 13 32.336 . A 90 ARG CD C 13 42.490 . A 90 ARG CG C 13 24.204 . A 90 ARG N N 15 128.114 . A 91 ASP H H 1 9.461 . A 91 ASP HA H 1 4.269 . A 91 ASP HBy H 1 2.939 . A 91 ASP HBx H 1 2.575 . A 91 ASP CA C 13 54.501 . A 91 ASP CB C 13 39.081 . A 91 ASP N N 15 129.790 . A 92 GLY H H 1 8.391 . A 92 GLY HAy H 1 4.148 . A 92 GLY HAx H 1 3.417 . A 92 GLY CA C 13 44.305 . A 92 GLY N N 15 102.404 . A 93 VAL H H 1 7.682 . A 93 VAL HA H 1 4.002 . A 93 VAL HB H 1 2.079 . A 93 VAL HGx% H 1 0.853 . A 93 VAL HGy% H 1 0.853 . A 93 VAL CA C 13 61.266 . A 93 VAL CB C 13 31.818 . A 93 VAL CGx C 13 20.000 . A 93 VAL CGy C 13 20.000 . A 93 VAL N N 15 123.090 . A 94 VAL H H 1 8.400 . A 94 VAL HA H 1 4.134 . A 94 VAL HB H 1 1.757 . A 94 VAL HGx% H 1 0.793 . A 94 VAL HGy% H 1 0.698 . A 94 VAL CA C 13 62.340 . A 94 VAL CB C 13 30.116 . A 94 VAL CGx C 13 20.731 . A 94 VAL CGy C 13 20.731 . A 94 VAL N N 15 128.414 . A 95 MET H H 1 9.100 . A 95 MET HA H 1 4.352 . A 95 MET HBy H 1 1.570 . A 95 MET HBx H 1 0.348 . A 95 MET HGy H 1 2.183 . A 95 MET HGx H 1 2.030 . A 95 MET CA C 13 53.674 . A 95 MET CB C 13 36.104 . A 95 MET CG C 13 30.965 . A 95 MET N N 15 129.196 . A 96 SER H H 1 8.004 . A 96 SER HA H 1 5.469 . A 96 SER HBx H 1 3.765 . A 96 SER HBy H 1 3.765 . A 96 SER CA C 13 55.830 . A 96 SER CB C 13 65.471 . A 96 SER N N 15 111.540 . A 97 ALA H H 1 9.145 . A 97 ALA HA H 1 4.788 . A 97 ALA HB% H 1 1.443 . A 97 ALA CA C 13 50.399 . A 97 ALA CB C 13 22.544 . A 97 ALA N N 15 124.079 . A 98 THR H H 1 8.754 . A 98 THR HA H 1 4.823 . A 98 THR HB H 1 3.811 . A 98 THR HG2% H 1 0.874 . A 98 THR CA C 13 61.053 . A 98 THR CB C 13 69.913 . A 98 THR CG2 C 13 20.828 . A 98 THR N N 15 117.342 . A 99 ILE H H 1 8.868 . A 99 ILE HA H 1 4.111 . A 99 ILE HB H 1 1.547 . A 99 ILE HG2% H 1 0.777 . A 99 ILE CA C 13 59.369 . A 99 ILE CB C 13 39.691 . A 99 ILE CD1 C 13 13.819 . A 99 ILE CG1 C 13 26.794 . A 99 ILE CG2 C 13 16.164 . A 99 ILE N N 15 125.689 . A 100 VAL H H 1 8.818 . A 100 VAL HA H 1 4.666 . A 100 VAL HB H 1 1.953 . A 100 VAL HGx% H 1 0.792 . A 100 VAL HGy% H 1 0.792 . A 100 VAL CA C 13 60.867 . A 100 VAL CB C 13 29.610 . A 100 VAL CGx C 13 19.562 . A 100 VAL CGy C 13 19.562 . A 100 VAL N N 15 129.871 . A 101 VAL H H 1 8.795 . A 101 VAL HA H 1 3.369 . A 101 VAL HB H 1 2.417 . A 101 VAL HGx% H 1 1.079 . A 101 VAL HGy% H 1 1.079 . A 101 VAL CA C 13 64.327 . A 101 VAL CB C 13 30.974 . A 101 VAL CGx C 13 22.374 . A 101 VAL CGy C 13 22.374 . A 101 VAL N N 15 128.299 . A 102 GLY H H 1 8.393 . A 102 GLY HAy H 1 4.722 . A 102 GLY HAx H 1 3.910 . A 102 GLY CA C 13 43.680 . A 102 GLY N N 15 115.466 . A 103 GLU H H 1 8.386 . A 103 GLU HA H 1 4.955 . A 103 GLU HBx H 1 1.831 . A 103 GLU HBy H 1 1.831 . A 103 GLU HGx H 1 2.110 . A 103 GLU HGy H 1 2.110 . A 103 GLU CA C 13 54.746 . A 103 GLU CB C 13 32.201 . A 103 GLU CG C 13 35.405 . A 103 GLU N N 15 119.459 . A 104 LEU H H 1 8.735 . A 104 LEU HA H 1 4.700 . A 104 LEU HDx% H 1 0.667 . A 104 LEU HDy% H 1 0.667 . A 104 LEU CA C 13 52.567 . A 104 LEU CB C 13 44.058 . A 104 LEU N N 15 123.881 . A 105 GLU H H 1 8.568 . A 105 GLU CA C 13 55.367 . A 105 GLU CB C 13 29.846 . A 105 GLU N N 15 122.559 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 LEU H A 1 PRO HA 1.0 1.8 3.6 2 2 A 2 LEU H A 1 PRO HBx 1.0 1.8 4.6 3 3 A 2 LEU H A 3 THR HG2% 1.0 1.8 6.0 4 4 A 2 LEU H A 3 THR H 1.0 1.8 6.0 5 5 A 3 THR H A 2 LEU HA 1.0 1.8 3.6 6 6 A 3 THR HG2% A 3 THR H 1.0 1.8 6.0 7 7 A 3 THR H A 3 THR HB 1.0 1.8 6.0 8 8 A 3 THR H A 3 THR HA 1.0 1.8 6.0 9 9 A 2 LEU H A 3 THR H 1.0 1.8 6.0 10 10 A 3 THR H A 4 ARG H 1.0 1.8 6.0 11 11 A 3 THR H A 76 ARG H 1.0 1.8 6.5 12 12 A 6 TYR H A 5 PRO HA 1.0 1.8 3.6 13 13 A 6 TYR H A 6 TYR HBy 1.0 1.8 5.6 14 14 A 6 TYR HBy A 7 LEU H 1.0 1.8 5.6 15 15 A 7 LEU H A 6 TYR HA 1.0 1.8 3.6 16 16 A 7 LEU H A 6 TYR HBx 1.0 1.8 5.6 17 17 A 6 TYR H A 7 LEU H 1.0 1.8 6.2 18 18 A 7 LEU H A 9 PHE H 1.0 1.8 6.2 19 19 A 8 GLY HAy A 29 THR HB 1.0 1.8 6.2 20 20 A 9 PHE H A 8 GLY HAy 1.0 1.8 4.6 21 21 A 9 PHE H A 8 GLY HAx 1.0 1.8 4.6 22 22 A 9 PHE H A 9 PHE HBx 1.0 1.8 5.6 23 23 A 7 LEU H A 9 PHE H 1.0 1.8 5.6 24 24 A 9 PHE H A 10 ARG H 1.0 1.8 6.0 25 25 A 9 PHE H A 9 PHE HA 1.0 1.8 5.6 26 26 A 9 PHE H A 67 LEU HBx 1.0 1.8 6.0 27 27 A 9 PHE HBx A 28 VAL HGy% 1.0 1.8 6.0 28 28 A 9 PHE HBx A 9 PHE HA 1.0 1.8 6.0 29 29 A 9 PHE HA A 28 VAL HGy% 1.0 1.8 6.0 30 30 A 9 PHE HBx A 10 ARG H 1.0 1.8 4.6 31 31 A 10 ARG H A 9 PHE HBy 1.0 1.8 4.6 32 32 A 10 ARG H A 9 PHE HA 1.0 1.8 4.6 33 33 A 9 PHE H A 10 ARG H 1.0 1.8 5.6 34 34 A 10 ARG H A 10 ARG HA 1.0 1.8 5.6 35 35 A 10 ARG H A 10 ARG HBy 1.0 1.8 4.6 36 36 A 10 ARG H A 10 ARG HBx 1.0 1.8 4.6 37 37 A 10 ARG H A 26 GLN H 1.0 1.8 5.1 38 38 A 10 ARG H A 27 GLU H 1.0 1.8 5.2 39 39 A 10 ARG H A 26 GLN HA 1.0 1.8 6.2 40 40 A 10 ARG HA A 26 GLN HBy 1.0 1.8 5.2 41 41 A 10 ARG HA A 10 ARG HBx 1.0 1.8 6.2 42 42 A 10 ARG HBy A 10 ARG HBx 1.0 1.8 6.2 43 43 A 10 ARG HBy A 26 GLN HBy 1.0 1.8 5.2 44 44 A 10 ARG HA A 11 VAL H 1.0 1.8 5.6 45 45 A 10 ARG HBy A 11 VAL H 1.0 1.8 5.6 46 46 A 10 ARG HBx A 11 VAL H 1.0 1.8 5.6 47 47 A 10 ARG H A 11 VAL H 1.0 1.8 5.6 48 48 A 11 VAL H A 11 VAL HA 1.0 1.8 5.6 49 49 A 11 VAL HA A 11 VAL HB 1.0 1.8 6.0 50 50 A 11 VAL H A 26 GLN HE2y 1.0 1.8 5.0 51 51 A 11 VAL HA A 12 ALA H 1.0 1.8 3.6 52 52 A 11 VAL HB A 12 ALA H 1.0 1.8 4.6 53 53 A 12 ALA H A 12 ALA HA 1.0 1.8 5.6 54 54 A 12 ALA H A 23 LEU HG 1.0 1.8 4.6 55 55 A 12 ALA HB% A 23 LEU HG 1.0 1.8 6.0 56 56 A 12 ALA H A 23 LEU HA 1.0 1.8 5.1 57 57 A 12 ALA H A 25 ILE HA 1.0 1.8 5.2 58 58 A 12 ALA HA A 12 ALA HB% 1.0 1.8 5.4 59 59 A 12 ALA HB% A 23 LEU HBx 1.0 1.8 5.4 60 60 A 12 ALA HA A 13 VAL H 1.0 1.8 3.6 61 61 A 12 ALA HB% A 13 VAL H 1.0 1.8 4.6 62 62 A 13 VAL H A 13 VAL HB 1.0 1.8 4.6 63 63 A 13 VAL H A 14 GLY H 1.0 1.8 5.6 64 64 A 13 VAL HB A 13 VAL HA 1.0 1.8 5.4 65 65 A 23 LEU HBx A 13 VAL HB 1.0 1.8 5.2 66 66 A 23 LEU HA A 13 VAL HA 1.0 1.8 5.2 67 67 A 13 VAL HA A 24 SER H 1.0 1.8 5.2 68 68 A 23 LEU HBx A 13 VAL HA 1.0 1.8 5.2 69 69 A 23 LEU HG A 13 VAL HA 1.0 1.8 5.2 70 70 A 13 VAL HB A 13 VAL HA 1.0 1.8 5.2 71 71 A 14 GLY H A 13 VAL HA 1.0 1.8 3.6 72 72 A 13 VAL HB A 14 GLY H 1.0 1.8 4.6 73 73 A 14 GLY H A 15 ARG HA 1.0 1.8 6.0 74 74 A 14 GLY H A 14 GLY HAx 1.0 1.8 6.0 75 75 A 14 GLY H A 22 THR H 1.0 1.8 6.0 76 76 A 14 GLY H A 23 LEU HBy 1.0 1.8 6.0 77 77 A 23 LEU HG A 14 GLY H 1.0 1.8 5.6 78 78 A 14 GLY HAx A 15 ARG H 1.0 1.8 4.6 79 79 A 15 ARG H A 14 GLY HAy 1.0 1.8 4.6 80 80 A 15 ARG HA A 15 ARG H 1.0 1.8 4.6 81 81 A 14 GLY H A 15 ARG H 1.0 1.8 5.6 82 82 A 15 ARG H A 16 ASP H 1.0 1.8 5.6 83 83 A 15 ARG H A 22 THR HG2% 1.0 1.8 6.0 84 84 A 15 ARG HA A 16 ASP H 1.0 1.8 3.6 85 85 A 16 ASP H A 16 ASP HA 1.0 1.8 5.6 86 86 A 16 ASP H A 16 ASP HBy 1.0 1.8 5.6 87 87 A 16 ASP H A 16 ASP HBx 1.0 1.8 5.6 88 88 A 15 ARG H A 16 ASP H 1.0 1.8 5.6 89 89 A 16 ASP H A 17 SER H 1.0 1.8 5.6 90 90 A 22 THR HG2% A 16 ASP HA 1.0 1.8 5.1 91 91 A 16 ASP HA A 91 ASP HBx 1.0 1.8 4.9 92 92 A 16 ASP HBy A 91 ASP HBx 1.0 1.8 5.4 93 93 A 16 ASP HBx A 91 ASP HA 1.0 1.8 4.9 94 94 A 16 ASP HA A 16 ASP HBx 1.0 1.8 5.9 95 95 A 16 ASP HBy A 17 SER H 1.0 1.8 4.6 96 96 A 16 ASP HBx A 17 SER H 1.0 1.8 4.6 97 97 A 17 SER H A 17 SER HA 1.0 1.8 4.6 98 98 A 17 SER H A 18 SER H 1.0 1.8 5.6 99 99 A 17 SER H A 92 GLY H 1.0 1.8 4.6 100 100 A 17 SER H A 91 ASP HBx 1.0 1.8 4.6 101 101 A 17 SER HA A 18 SER H 1.0 1.8 4.6 102 102 A 18 SER H A 18 SER HA 1.0 1.8 5.6 103 103 A 17 SER H A 18 SER H 1.0 1.8 5.6 104 104 A 18 SER H A 19 GLY H 1.0 1.8 5.6 105 105 A 16 ASP HBx A 18 SER H 1.0 1.8 5.6 106 106 A 18 SER H A 92 GLY H 1.0 1.8 5.5 107 107 A 18 SER HA A 19 GLY H 1.0 1.8 3.6 108 108 A 19 GLY HAy A 19 GLY H 1.0 1.8 4.6 109 109 A 19 GLY H A 19 GLY HAx 1.0 1.8 4.6 110 110 A 19 GLY H A 21 THR H 1.0 1.8 5.1 111 111 A 15 ARG HA A 19 GLY H 1.0 1.8 6.2 112 112 A 19 GLY HAx A 20 CYS H 1.0 1.8 4.6 113 113 A 19 GLY HAy A 20 CYS H 1.0 1.8 4.6 114 114 A 20 CYS H A 20 CYS HA 1.0 1.8 5.6 115 115 A 22 THR HG2% A 20 CYS H 1.0 1.8 6.2 116 116 A 16 ASP H A 20 CYS H 1.0 1.8 5.2 117 117 A 16 ASP HBx A 20 CYS H 1.0 1.8 5.2 118 118 A 20 CYS HA A 21 THR HG2% 1.0 1.8 5.9 119 119 A 21 THR H A 20 CYS HA 1.0 1.8 3.6 120 120 A 21 THR H A 21 THR HA 1.0 1.8 4.6 121 121 A 21 THR H A 22 THR HA 1.0 1.8 5.6 122 122 A 21 THR H A 21 THR HB 1.0 1.8 4.6 123 123 A 21 THR H A 21 THR HG2% 1.0 1.8 4.6 124 124 A 22 THR HG2% A 21 THR H 1.0 1.8 4.6 125 125 A 16 ASP H A 21 THR H 1.0 1.8 4.9 126 126 A 15 ARG HA A 21 THR HG2% 1.0 1.8 5.9 127 127 A 21 THR HG2% A 63 THR HB 1.0 1.8 5.9 128 128 A 15 ARG HA A 21 THR HA 1.0 1.8 4.9 129 129 A 22 THR HA A 21 THR HB 1.0 1.8 5.9 130 130 A 20 CYS HA A 21 THR HA 1.0 1.8 5.9 131 131 A 22 THR HG2% A 21 THR HA 1.0 1.8 5.9 132 132 A 21 THR HG2% A 21 THR HA 1.0 1.8 5.9 133 133 A 21 THR HG2% A 21 THR HA 1.0 1.8 5.9 134 134 A 22 THR H A 21 THR HB 1.0 1.8 5.6 135 135 A 22 THR H A 21 THR HA 1.0 1.8 4.6 136 136 A 22 THR H A 21 THR HG2% 1.0 1.8 6.0 137 137 A 22 THR H A 22 THR HB 1.0 1.8 6.0 138 138 A 22 THR H A 22 THR HG2% 1.0 1.8 6.0 139 139 A 22 THR H A 21 THR H 1.0 1.8 5.0 140 140 A 14 GLY H A 22 THR H 1.0 1.8 5.0 141 141 A 14 GLY HAx A 22 THR H 1.0 1.8 6.0 142 142 A 15 ARG HA A 22 THR H 1.0 1.8 4.9 143 143 A 22 THR HG2% A 55 GLN HGy 1.0 1.8 5.2 144 144 A 22 THR HG2% A 22 THR HB 1.0 1.8 6.2 145 145 A 22 THR HG2% A 22 THR HA 1.0 1.8 6.2 146 146 A 22 THR HA A 22 THR HB 1.0 1.8 6.2 147 147 A 22 THR HG2% A 16 ASP HBx 1.0 1.8 4.3 148 148 A 22 THR HG2% A 16 ASP HA 1.0 1.8 6.3 149 149 A 15 ARG HA A 22 THR HG2% 1.0 1.8 5.3 150 150 A 22 THR HG2% A 63 THR HA 1.0 1.8 5.3 151 151 A 22 THR HB A 23 LEU H 1.0 1.8 4.6 152 152 A 22 THR HA A 23 LEU H 1.0 1.8 3.6 153 153 A 22 THR HG2% A 23 LEU H 1.0 1.8 6.0 154 154 A 22 THR H A 23 LEU H 1.0 1.8 6.0 155 155 A 23 LEU HG A 23 LEU H 1.0 1.8 6.0 156 156 A 23 LEU HA A 23 LEU HBy 1.0 1.8 6.0 157 157 A 12 ALA HB% A 23 LEU HA 1.0 1.8 5.0 158 158 A 23 LEU HA A 13 VAL HA 1.0 1.8 4.5 159 159 A 23 LEU HBx A 24 SER H 1.0 1.8 4.6 160 160 A 24 SER H A 23 LEU HBy 1.0 1.8 4.6 161 161 A 23 LEU HA A 24 SER H 1.0 1.8 3.6 162 162 A 24 SER H A 24 SER HA 1.0 1.8 5.6 163 163 A 13 VAL HA A 24 SER H 1.0 1.8 4.8 164 164 A 12 ALA HB% A 24 SER H 1.0 1.8 4.2 165 165 A 11 VAL HA A 24 SER H 1.0 1.8 5.5 166 166 A 24 SER HA A 56 LEU H 1.0 1.8 6.0 167 167 A 24 SER HA A 55 GLN HA 1.0 1.8 4.2 168 168 A 24 SER HA A 25 ILE H 1.0 1.8 3.6 169 169 A 25 ILE H A 25 ILE HB 1.0 1.8 4.6 170 170 A 25 ILE HA A 25 ILE H 1.0 1.8 5.2 171 171 A 25 ILE H A 54 ASP H 1.0 1.8 5.3 172 172 A 25 ILE H A 53 GLY HAy 1.0 1.8 6.2 173 173 A 55 GLN HA A 25 ILE H 1.0 1.8 4.3 174 174 A 11 VAL HA A 25 ILE HA 1.0 1.8 4.9 175 175 A 26 GLN H A 26 GLN HBx 1.0 1.8 4.6 176 176 A 26 GLN H A 27 GLU H 1.0 1.8 4.6 177 177 A 10 ARG H A 26 GLN H 1.0 1.8 5.2 178 178 A 26 GLN H A 11 VAL HA 1.0 1.8 4.9 179 179 A 26 GLN HBy A 52 VAL HB 1.0 1.8 5.6 180 180 A 26 GLN HA A 26 GLN HBy 1.0 1.8 5.6 181 181 A 26 GLN HA A 26 GLN HBy 1.0 1.8 5.6 182 182 A 26 GLN HE2y A 12 ALA HB% 1.0 1.8 4.6 183 183 A 10 ARG HBy A 26 GLN HE2y 1.0 1.8 4.6 184 184 A 11 VAL HA A 26 GLN HE2y 1.0 1.8 5.6 185 185 A 27 GLU H A 26 GLN HBx 1.0 1.8 4.6 186 186 A 27 GLU H A 26 GLN HA 1.0 1.8 4.6 187 187 A 27 GLU H A 26 GLN HBy 1.0 1.8 4.6 188 188 A 26 GLN H A 27 GLU H 1.0 1.8 5.6 189 189 A 10 ARG H A 27 GLU H 1.0 1.8 4.9 190 190 A 9 PHE HA A 27 GLU H 1.0 1.8 5.2 191 191 A 9 PHE HBx A 27 GLU H 1.0 1.8 6.2 192 192 A 28 VAL HA A 28 VAL HB 1.0 1.8 5.9 193 193 A 28 VAL HGx% A 45 ALA HB% 1.0 1.8 4.9 194 194 A 28 VAL HGx% A 45 ALA HA 1.0 1.8 5.9 195 195 A 28 VAL HA A 28 VAL HGx% 1.0 1.8 5.9 196 196 A 28 VAL HGx% A 29 THR H 1.0 1.8 6.0 197 197 A 28 VAL HGy% A 29 THR H 1.0 1.8 6.0 198 198 A 28 VAL HA A 29 THR H 1.0 1.8 3.6 199 199 A 28 VAL HB A 29 THR H 1.0 1.8 5.6 200 200 A 29 THR H A 30 GLN H 1.0 1.8 5.6 201 201 A 29 THR HB A 29 THR HG2% 1.0 1.8 5.9 202 202 A 29 THR HB A 29 THR HA 1.0 1.8 6.2 203 203 A 29 THR HG2% A 29 THR HA 1.0 1.8 5.9 204 204 A 28 VAL HA A 29 THR HA 1.0 1.8 6.2 205 205 A 30 GLN H A 29 THR HG2% 1.0 1.8 5.6 206 206 A 29 THR HB A 30 GLN H 1.0 1.8 5.6 207 207 A 30 GLN H A 29 THR HA 1.0 1.8 3.6 208 208 A 30 GLN H A 30 GLN HA 1.0 1.8 5.6 209 209 A 30 GLN H A 31 THR HG2% 1.0 1.8 5.6 210 210 A 29 THR H A 30 GLN H 1.0 1.8 6.2 211 211 A 30 GLN H A 31 THR H 1.0 1.8 5.2 212 212 A 30 GLN H A 50 LEU HBy 1.0 1.8 4.9 213 213 A 50 LEU HBy A 30 GLN HE2y 1.0 1.8 4.9 214 214 A 30 GLN HA A 31 THR H 1.0 1.8 4.6 215 215 A 31 THR H A 31 THR HA 1.0 1.8 5.6 216 216 A 31 THR H A 32 TYR HA 1.0 1.8 5.6 217 217 A 31 THR H A 31 THR HB 1.0 1.8 5.6 218 218 A 31 THR HG2% A 31 THR H 1.0 1.8 5.6 219 219 A 30 GLN H A 31 THR H 1.0 1.8 5.6 220 220 A 29 THR HA A 31 THR H 1.0 1.8 5.5 221 221 A 29 THR HG2% A 31 THR H 1.0 1.8 5.5 222 222 A 31 THR HB A 40 ASP HA 1.0 1.8 5.2 223 223 A 31 THR HA A 42 MET HA 1.0 1.8 5.2 224 224 A 31 THR HA A 31 THR HB 1.0 1.8 6.2 225 225 A 31 THR HG2% A 31 THR HB 1.0 1.8 5.9 226 226 A 31 THR HG2% A 31 THR HA 1.0 1.8 6.2 227 227 A 31 THR HG2% A 41 LEU H 1.0 1.8 5.2 228 228 A 31 THR HG2% A 31 THR HB 1.0 1.8 5.2 229 229 A 31 THR HG2% A 40 ASP HA 1.0 1.8 5.9 230 230 A 31 THR HG2% A 31 THR HA 1.0 1.8 5.2 231 231 A 31 THR HG2% A 32 TYR H 1.0 1.8 6.0 232 232 A 31 THR HA A 32 TYR H 1.0 1.8 3.6 233 233 A 31 THR HB A 32 TYR H 1.0 1.8 4.6 234 234 A 32 TYR HA A 32 TYR H 1.0 1.8 4.6 235 235 A 32 TYR H A 32 TYR HBx 1.0 1.8 5.6 236 236 A 32 TYR H A 32 TYR HBy 1.0 1.8 5.6 237 237 A 32 TYR H A 33 THR H 1.0 1.8 6.2 238 238 A 31 THR H A 32 TYR H 1.0 1.8 5.2 239 239 A 40 ASP HA A 32 TYR H 1.0 1.8 6.2 240 240 A 32 TYR HA A 32 TYR HBy 1.0 1.8 6.0 241 241 A 32 TYR HA A 33 THR H 1.0 1.8 3.6 242 242 A 32 TYR HBy A 33 THR H 1.0 1.8 4.6 243 243 A 32 TYR HBx A 33 THR H 1.0 1.8 4.6 244 244 A 33 THR H A 33 THR HA 1.0 1.8 4.6 245 245 A 33 THR H A 33 THR HB 1.0 1.8 4.6 246 246 A 33 THR H A 33 THR HG2% 1.0 1.8 4.6 247 247 A 32 TYR H A 33 THR H 1.0 1.8 5.2 248 248 A 33 THR H A 34 GLY H 1.0 1.8 5.2 249 249 A 40 ASP HA A 33 THR HB 1.0 1.8 5.9 250 250 A 33 THR HA A 33 THR HG2% 1.0 1.8 6.2 251 251 A 33 THR HG2% A 39 ALA HA 1.0 1.8 5.2 252 252 A 33 THR HG2% A 38 GLY HAy 1.0 1.8 5.2 253 253 A 40 ASP HA A 33 THR HG2% 1.0 1.8 5.2 254 254 A 33 THR HA A 34 GLY H 1.0 1.8 3.6 255 255 A 33 THR HB A 34 GLY H 1.0 1.8 4.6 256 256 A 33 THR HG2% A 34 GLY H 1.0 1.8 6.0 257 257 A 34 GLY H A 34 GLY HAx 1.0 1.8 6.0 258 258 A 34 GLY H A 35 SER H 1.0 1.8 5.0 259 259 A 32 TYR HA A 34 GLY H 1.0 1.8 6.4 260 260 A 34 GLY HAy A 37 GLY HAx 1.0 1.8 5.9 261 261 A 35 SER H A 34 GLY HAy 1.0 1.8 4.6 262 262 A 34 GLY HAx A 35 SER H 1.0 1.8 4.6 263 263 A 34 GLY H A 35 SER H 1.0 1.8 4.6 264 264 A 35 SER H A 39 ALA H 1.0 1.8 6.1 265 265 A 35 SER HA A 36 ASN H 1.0 1.8 4.6 266 266 A 36 ASN H A 36 ASN HA 1.0 1.8 5.6 267 267 A 35 SER H A 36 ASN H 1.0 1.8 6.0 268 268 A 2 LEU H A 36 ASN H 1.0 1.8 5.0 269 269 A 36 ASN HA A 37 GLY H 1.0 1.8 4.6 270 270 A 37 GLY H A 37 GLY HAy 1.0 1.8 5.6 271 271 A 37 GLY HAx A 37 GLY H 1.0 1.8 5.6 272 272 A 36 ASN H A 37 GLY H 1.0 1.8 5.6 273 273 A 37 GLY H A 38 GLY H 1.0 1.8 5.6 274 274 A 33 THR HG2% A 37 GLY H 1.0 1.8 4.9 275 275 A 37 GLY HAx A 80 PRO HA 1.0 1.8 5.9 276 276 A 37 GLY HAy A 38 GLY H 1.0 1.8 4.6 277 277 A 37 GLY HAx A 38 GLY H 1.0 1.8 4.6 278 278 A 38 GLY HAy A 38 GLY H 1.0 1.8 4.6 279 279 A 38 GLY H A 38 GLY HAx 1.0 1.8 4.6 280 280 A 38 GLY H A 39 ALA HB% 1.0 1.8 5.6 281 281 A 33 THR HB A 38 GLY HAy 1.0 1.8 4.9 282 282 A 37 GLY H A 38 GLY H 1.0 1.8 6.2 283 283 A 36 ASN HA A 38 GLY H 1.0 1.8 5.5 284 284 A 33 THR HG2% A 38 GLY H 1.0 1.8 5.5 285 285 A 39 ALA H A 38 GLY HAx 1.0 1.8 4.6 286 286 A 38 GLY HAy A 39 ALA H 1.0 1.8 4.6 287 287 A 39 ALA HA A 39 ALA H 1.0 1.8 5.6 288 288 A 39 ALA H A 39 ALA HB% 1.0 1.8 5.6 289 289 A 39 ALA H A 40 ASP H 1.0 1.8 5.6 290 290 A 40 ASP HA A 39 ALA HA 1.0 1.8 6.2 291 291 A 39 ALA HA A 39 ALA HB% 1.0 1.8 6.2 292 292 A 33 THR HG2% A 39 ALA HA 1.0 1.8 4.9 293 293 A 39 ALA HA A 39 ALA HB% 1.0 1.8 6.2 294 294 A 33 THR HB A 39 ALA HB% 1.0 1.8 4.6 295 295 A 39 ALA HB% A 40 ASP H 1.0 1.8 4.6 296 296 A 39 ALA HA A 40 ASP H 1.0 1.8 3.6 297 297 A 40 ASP HA A 40 ASP H 1.0 1.8 5.6 298 298 A 41 LEU H A 40 ASP H 1.0 1.8 5.6 299 299 A 39 ALA H A 40 ASP H 1.0 1.8 5.6 300 300 A 33 THR HB A 40 ASP H 1.0 1.8 5.2 301 301 A 33 THR HA A 40 ASP H 1.0 1.8 5.9 302 302 A 31 THR HB A 40 ASP HA 1.0 1.8 6.2 303 303 A 40 ASP HA A 41 LEU H 1.0 1.8 3.6 304 304 A 41 LEU H A 32 TYR H 1.0 1.8 4.8 305 305 A 31 THR HA A 41 LEU H 1.0 1.8 5.4 306 306 A 41 LEU H A 33 THR HG2% 1.0 1.8 5.6 307 307 A 41 LEU HA A 41 LEU HBy 1.0 1.8 6.2 308 308 A 41 LEU HA A 41 LEU HBx 1.0 1.8 6.2 309 309 A 41 LEU HA A 42 MET H 1.0 1.8 3.6 310 310 A 41 LEU HBy A 42 MET H 1.0 1.8 5.6 311 311 A 41 LEU HBx A 42 MET H 1.0 1.8 5.6 312 312 A 42 MET H A 42 MET HBy 1.0 1.8 5.6 313 313 A 42 MET H A 42 MET HBx 1.0 1.8 5.6 314 314 A 42 MET HA A 42 MET H 1.0 1.8 5.6 315 315 A 31 THR HA A 42 MET H 1.0 1.8 5.9 316 316 A 42 MET HBy A 42 MET HBx 1.0 1.8 6.2 317 317 A 31 THR HA A 42 MET HA 1.0 1.8 4.9 318 318 A 31 THR HB A 42 MET HA 1.0 1.8 4.9 319 319 A 42 MET HA A 42 MET HBy 1.0 1.8 5.9 320 320 A 31 THR HG2% A 42 MET HA 1.0 1.8 5.9 321 321 A 42 MET HBy A 43 GLY H 1.0 1.8 5.6 322 322 A 42 MET HBx A 43 GLY H 1.0 1.8 5.6 323 323 A 42 MET HA A 43 GLY H 1.0 1.8 3.6 324 324 A 31 THR HA A 43 GLY H 1.0 1.8 4.8 325 325 A 31 THR HG2% A 43 GLY H 1.0 1.8 5.1 326 326 A 43 GLY H A 46 PHE H 1.0 1.8 5.9 327 327 A 45 ALA HB% A 43 GLY H 1.0 1.8 4.9 328 328 A 43 GLY H A 47 ALA HB% 1.0 1.8 5.9 329 329 A 44 PRO HA A 45 ALA H 1.0 1.8 4.6 330 330 A 45 ALA HA A 45 ALA H 1.0 1.8 4.6 331 331 A 45 ALA HB% A 45 ALA H 1.0 1.8 5.6 332 332 A 46 PHE H A 45 ALA H 1.0 1.8 5.2 333 333 A 45 ALA H A 48 ALA H 1.0 1.8 6.2 334 334 A 45 ALA H A 47 ALA H 1.0 1.8 6.5 335 335 A 45 ALA HB% A 48 ALA H 1.0 1.8 5.4 336 336 A 45 ALA HB% A 45 ALA HA 1.0 1.8 5.9 337 337 A 45 ALA HB% A 41 LEU H 1.0 1.8 6.5 338 338 A 45 ALA HA A 31 THR HG2% 1.0 1.8 5.9 339 339 A 45 ALA HB% A 45 ALA HA 1.0 1.8 5.9 340 340 A 45 ALA HA A 46 PHE H 1.0 1.8 4.6 341 341 A 46 PHE H A 47 ALA H 1.0 1.8 4.9 342 342 A 46 PHE H A 45 ALA H 1.0 1.8 4.9 343 343 A 46 PHE H A 48 ALA H 1.0 1.8 4.9 344 344 A 48 ALA H A 46 PHE HA 1.0 1.8 6.2 345 345 A 47 ALA H A 47 ALA HA 1.0 1.8 4.6 346 346 A 47 ALA HB% A 47 ALA H 1.0 1.8 4.6 347 347 A 46 PHE H A 47 ALA H 1.0 1.8 4.6 348 348 A 47 ALA H A 49 GLY H 1.0 1.8 5.0 349 349 A 48 ALA H A 47 ALA H 1.0 1.8 4.6 350 350 A 43 GLY H A 47 ALA H 1.0 1.8 6.4 351 351 A 47 ALA HB% A 44 PRO HA 1.0 1.8 4.9 352 352 A 47 ALA HB% A 47 ALA HA 1.0 1.8 6.4 353 353 A 47 ALA HB% A 47 ALA HA 1.0 1.8 6.4 354 354 A 48 ALA H A 47 ALA HA 1.0 1.8 4.6 355 355 A 47 ALA HB% A 48 ALA H 1.0 1.8 4.6 356 356 A 48 ALA H A 48 ALA HA 1.0 1.8 5.6 357 357 A 48 ALA H A 48 ALA HB% 1.0 1.8 4.6 358 358 A 48 ALA H A 49 GLY HAx 1.0 1.8 6.2 359 359 A 48 ALA H A 47 ALA H 1.0 1.8 4.3 360 360 A 46 PHE H A 48 ALA H 1.0 1.8 5.3 361 361 A 48 ALA H A 49 GLY H 1.0 1.8 4.3 362 362 A 48 ALA H A 99 ILE HG2% 1.0 1.8 6.2 363 363 A 49 GLY H A 48 ALA HB% 1.0 1.8 4.6 364 364 A 49 GLY H A 49 GLY HAy 1.0 1.8 4.6 365 365 A 49 GLY H A 49 GLY HAx 1.0 1.8 4.6 366 366 A 47 ALA H A 49 GLY H 1.0 1.8 6.2 367 367 A 48 ALA H A 49 GLY H 1.0 1.8 4.8 368 368 A 49 GLY H A 50 LEU H 1.0 1.8 4.9 369 369 A 49 GLY H A 99 ILE HG2% 1.0 1.8 6.2 370 370 A 49 GLY HAy A 50 LEU H 1.0 1.8 4.6 371 371 A 50 LEU HBy A 50 LEU H 1.0 1.8 5.6 372 372 A 50 LEU H A 50 LEU HBx 1.0 1.8 5.6 373 373 A 50 LEU H A 51 ARG H 1.0 1.8 5.6 374 374 A 49 GLY H A 50 LEU H 1.0 1.8 5.6 375 375 A 45 ALA HA A 50 LEU H 1.0 1.8 5.9 376 376 A 50 LEU HBy A 48 ALA HB% 1.0 1.8 6.2 377 377 A 50 LEU HBy A 50 LEU HA 1.0 1.8 5.7 378 378 A 45 ALA HB% A 50 LEU HBy 1.0 1.8 5.9 379 379 A 50 LEU HBy A 51 ARG H 1.0 1.8 5.6 380 380 A 50 LEU HBx A 51 ARG H 1.0 1.8 5.6 381 381 A 50 LEU HA A 51 ARG H 1.0 1.8 3.6 382 382 A 51 ARG H A 51 ARG HBy 1.0 1.8 5.6 383 383 A 54 ASP H A 51 ARG H 1.0 1.8 5.9 384 384 A 50 LEU H A 51 ARG H 1.0 1.8 6.0 385 385 A 51 ARG H A 52 VAL HA 1.0 1.8 6.0 386 386 A 51 ARG H A 54 ASP HBy 1.0 1.8 6.0 387 387 A 51 ARG H A 53 GLY H 1.0 1.8 5.9 388 388 A 52 VAL HB A 51 ARG HBx 1.0 1.8 5.9 389 389 A 52 VAL H A 51 ARG HA 1.0 1.8 3.6 390 390 A 52 VAL HA A 52 VAL H 1.0 1.8 5.6 391 391 A 52 VAL HB A 52 VAL H 1.0 1.8 5.6 392 392 A 53 GLY H A 52 VAL H 1.0 1.8 5.6 393 393 A 28 VAL HGy% A 52 VAL H 1.0 1.8 4.6 394 394 A 28 VAL HGx% A 52 VAL H 1.0 1.8 4.6 395 395 A 25 ILE HB A 52 VAL HA 1.0 1.8 5.0 396 396 A 52 VAL HA A 53 GLY H 1.0 1.8 3.6 397 397 A 52 VAL HB A 53 GLY H 1.0 1.8 5.6 398 398 A 53 GLY HAy A 53 GLY H 1.0 1.8 4.6 399 399 A 53 GLY H A 53 GLY HAx 1.0 1.8 4.6 400 400 A 53 GLY H A 52 VAL H 1.0 1.8 6.0 401 401 A 54 ASP H A 53 GLY H 1.0 1.8 4.9 402 402 A 54 ASP HBy A 53 GLY H 1.0 1.8 6.5 403 403 A 25 ILE HB A 53 GLY H 1.0 1.8 4.5 404 404 A 27 GLU H A 53 GLY H 1.0 1.8 5.5 405 405 A 54 ASP H A 53 GLY HAx 1.0 1.8 4.6 406 406 A 54 ASP H A 53 GLY HAy 1.0 1.8 4.6 407 407 A 54 ASP H A 54 ASP HA 1.0 1.8 5.2 408 408 A 54 ASP H A 54 ASP HBy 1.0 1.8 5.2 409 409 A 54 ASP H A 53 GLY H 1.0 1.8 4.6 410 410 A 54 ASP HBx A 55 GLN HGx 1.0 1.8 6.2 411 411 A 25 ILE HB A 54 ASP H 1.0 1.8 4.9 412 412 A 54 ASP H A 51 ARG H 1.0 1.8 6.2 413 413 A 54 ASP H A 52 VAL H 1.0 1.8 6.2 414 414 A 54 ASP H A 52 VAL HA 1.0 1.8 5.2 415 415 A 54 ASP HA A 54 ASP HBx 1.0 1.8 6.2 416 416 A 54 ASP HBy A 55 GLN H 1.0 1.8 5.6 417 417 A 54 ASP HBx A 55 GLN H 1.0 1.8 5.6 418 418 A 54 ASP HA A 55 GLN H 1.0 1.8 4.6 419 419 A 54 ASP H A 55 GLN H 1.0 1.8 6.2 420 420 A 55 GLN H A 89 SER H 1.0 1.8 4.6 421 421 A 55 GLN H A 88 PHE HA 1.0 1.8 4.9 422 422 A 55 GLN H A 89 SER HBx 1.0 1.8 5.2 423 423 A 55 GLN H A 89 SER HBy 1.0 1.8 5.2 424 424 A 24 SER HA A 55 GLN HA 1.0 1.8 4.3 425 425 A 55 GLN HGy A 55 GLN HA 1.0 1.8 5.9 426 426 A 22 THR HG2% A 55 GLN HE2x 1.0 1.8 3.9 427 427 A 16 ASP HBy A 55 GLN HE2x 1.0 1.8 4.9 428 428 A 22 THR HB A 55 GLN HE2x 1.0 1.8 4.9 429 429 A 24 SER HA A 55 GLN HE2x 1.0 1.8 5.4 430 430 A 56 LEU H A 55 GLN HA 1.0 1.8 3.6 431 431 A 56 LEU H A 56 LEU HA 1.0 1.8 5.6 432 432 A 55 GLN HGy A 56 LEU H 1.0 1.8 5.6 433 433 A 56 LEU H A 25 ILE H 1.0 1.8 5.2 434 434 A 24 SER HA A 56 LEU H 1.0 1.8 6.2 435 435 A 29 THR HG2% A 56 LEU HBy 1.0 1.8 5.9 436 436 A 56 LEU HA A 56 LEU HBx 1.0 1.8 5.9 437 437 A 56 LEU HA A 56 LEU HBx 1.0 1.8 5.9 438 438 A 88 PHE HA A 56 LEU HA 1.0 1.8 5.2 439 439 A 56 LEU HA A 57 VAL H 1.0 1.8 4.6 440 440 A 89 SER H A 57 VAL H 1.0 1.8 6.4 441 441 A 88 PHE HA A 57 VAL H 1.0 1.8 5.2 442 442 A 56 LEU HBx A 57 VAL HA 1.0 1.8 6.2 443 443 A 57 VAL HA A 57 VAL HB 1.0 1.8 5.6 444 444 A 57 VAL HA A 58 ARG H 1.0 1.8 3.6 445 445 A 58 ARG H A 58 ARG HA 1.0 1.8 5.6 446 446 A 57 VAL H A 58 ARG H 1.0 1.8 5.6 447 447 A 58 ARG H A 86 VAL HA 1.0 1.8 6.2 448 448 A 58 ARG HA A 59 PHE H 1.0 1.8 3.6 449 449 A 59 PHE H A 59 PHE HBy 1.0 1.8 5.6 450 450 A 59 PHE H A 62 TYR H 1.0 1.8 5.1 451 451 A 58 ARG H A 59 PHE H 1.0 1.8 5.2 452 452 A 59 PHE H A 60 ALA H 1.0 1.8 6.2 453 453 A 59 PHE HA A 59 PHE HBx 1.0 1.8 6.2 454 454 A 59 PHE HBy A 60 ALA H 1.0 1.8 5.6 455 455 A 60 ALA H A 59 PHE HBx 1.0 1.8 5.6 456 456 A 60 ALA H A 59 PHE HA 1.0 1.8 3.6 457 457 A 60 ALA H A 60 ALA HA 1.0 1.8 4.6 458 458 A 60 ALA H A 60 ALA HB% 1.0 1.8 4.6 459 459 A 60 ALA H A 61 GLY H 1.0 1.8 5.0 460 460 A 62 TYR H A 60 ALA H 1.0 1.8 6.5 461 461 A 59 PHE HBy A 60 ALA HB% 1.0 1.8 5.4 462 462 A 60 ALA HB% A 87 VAL HB 1.0 1.8 6.0 463 463 A 60 ALA HA A 60 ALA HB% 1.0 1.8 5.4 464 464 A 60 ALA HA A 61 GLY H 1.0 1.8 3.6 465 465 A 60 ALA HB% A 61 GLY H 1.0 1.8 5.6 466 466 A 61 GLY H A 61 GLY HAy 1.0 1.8 5.2 467 467 A 61 GLY H A 61 GLY HAx 1.0 1.8 5.2 468 468 A 60 ALA H A 61 GLY H 1.0 1.8 5.2 469 469 A 62 TYR H A 61 GLY H 1.0 1.8 5.2 470 470 A 61 GLY H A 62 TYR HA 1.0 1.8 6.2 471 471 A 62 TYR H A 61 GLY HAy 1.0 1.8 5.6 472 472 A 62 TYR H A 61 GLY H 1.0 1.8 4.6 473 473 A 62 TYR H A 62 TYR HA 1.0 1.8 5.4 474 474 A 62 TYR H A 60 ALA HA 1.0 1.8 6.4 475 475 A 62 TYR H A 60 ALA HB% 1.0 1.8 5.4 476 476 A 62 TYR H A 94 VAL HGy% 1.0 1.8 6.4 477 477 A 22 THR HG2% A 62 TYR HA 1.0 1.8 6.4 478 478 A 62 TYR HA A 63 THR H 1.0 1.8 3.6 479 479 A 63 THR H A 63 THR HG2% 1.0 1.8 4.6 480 480 A 62 TYR H A 63 THR H 1.0 1.8 6.4 481 481 A 22 THR HG2% A 63 THR HB 1.0 1.8 5.4 482 482 A 59 PHE H A 63 THR HG2% 1.0 1.8 5.1 483 483 A 63 THR HA A 21 THR HB 1.0 1.8 5.1 484 484 A 21 THR HB A 63 THR HG2% 1.0 1.8 5.6 485 485 A 63 THR HB A 63 THR HG2% 1.0 1.8 5.6 486 486 A 63 THR HB A 21 THR HB 1.0 1.8 4.9 487 487 A 63 THR HA A 63 THR HG2% 1.0 1.8 5.6 488 488 A 63 THR HA A 64 VAL H 1.0 1.8 3.6 489 489 A 63 THR HB A 64 VAL H 1.0 1.8 5.6 490 490 A 64 VAL H A 64 VAL HB 1.0 1.8 5.6 491 491 A 63 THR H A 64 VAL H 1.0 1.8 6.2 492 492 A 21 THR HB A 64 VAL H 1.0 1.8 4.9 493 493 A 57 VAL HA A 64 VAL HA 1.0 1.8 5.9 494 494 A 64 VAL HB A 64 VAL HA 1.0 1.8 6.2 495 495 A 64 VAL HA A 69 ALA HB% 1.0 1.8 6.2 496 496 A 64 VAL HA A 65 THR H 1.0 1.8 4.6 497 497 A 64 VAL HB A 65 THR H 1.0 1.8 5.6 498 498 A 65 THR H A 65 THR HB 1.0 1.8 5.6 499 499 A 65 THR H A 65 THR HG2% 1.0 1.8 5.6 500 500 A 64 VAL H A 65 THR H 1.0 1.8 6.2 501 501 A 65 THR H A 66 GLU H 1.0 1.8 5.2 502 502 A 65 THR HB A 65 THR HG2% 1.0 1.8 5.9 503 503 A 65 THR HG2% A 65 THR HA 1.0 1.8 5.9 504 504 A 69 ALA HB% A 65 THR H 1.0 1.8 4.9 505 505 A 65 THR HG2% A 66 GLU HBx 1.0 1.8 4.9 506 506 A 65 THR HB A 66 GLU H 1.0 1.8 5.6 507 507 A 66 GLU H A 66 GLU HA 1.0 1.8 5.6 508 508 A 66 GLU H A 66 GLU HBx 1.0 1.8 5.6 509 509 A 65 THR H A 66 GLU H 1.0 1.8 5.6 510 510 A 66 GLU H A 67 LEU HA 1.0 1.8 6.2 511 511 A 66 GLU H A 70 PHE H 1.0 1.8 4.9 512 512 A 69 ALA HB% A 66 GLU H 1.0 1.8 4.9 513 513 A 67 LEU HBx A 66 GLU HBy 1.0 1.8 5.8 514 514 A 66 GLU HBx A 66 GLU HA 1.0 1.8 5.8 515 515 A 23 LEU HG A 66 GLU HA 1.0 1.8 5.8 516 516 A 23 LEU HBy A 66 GLU HA 1.0 1.8 5.8 517 517 A 66 GLU HBx A 66 GLU HA 1.0 1.8 5.8 518 518 A 66 GLU HBx A 67 LEU H 1.0 1.8 5.6 519 519 A 66 GLU HA A 67 LEU H 1.0 1.8 3.6 520 520 A 67 LEU HA A 67 LEU H 1.0 1.8 5.6 521 521 A 67 LEU H A 68 ALA HB% 1.0 1.8 5.6 522 522 A 70 PHE H A 67 LEU H 1.0 1.8 6.0 523 523 A 66 GLU H A 67 LEU H 1.0 1.8 5.0 524 524 A 67 LEU HBx A 11 VAL HB 1.0 1.8 5.9 525 525 A 67 LEU HA A 70 PHE HBy 1.0 1.8 4.9 526 526 A 67 LEU HA A 70 PHE HBx 1.0 1.8 4.9 527 527 A 67 LEU HA A 70 PHE HA 1.0 1.8 5.6 528 528 A 67 LEU HBx A 68 ALA HB% 1.0 1.8 5.6 529 529 A 67 LEU HA A 68 ALA HB% 1.0 1.8 5.6 530 530 A 67 LEU HA A 67 LEU HBy 1.0 1.8 5.6 531 531 A 67 LEU HA A 68 ALA H 1.0 1.8 5.6 532 532 A 67 LEU HBy A 68 ALA H 1.0 1.8 5.6 533 533 A 67 LEU HBx A 68 ALA H 1.0 1.8 5.6 534 534 A 68 ALA H A 69 ALA HA 1.0 1.8 5.6 535 535 A 68 ALA HB% A 68 ALA H 1.0 1.8 5.6 536 536 A 70 PHE HBx A 68 ALA H 1.0 1.8 5.5 537 537 A 70 PHE H A 68 ALA H 1.0 1.8 4.5 538 538 A 68 ALA H A 71 ASN HBy 1.0 1.8 6.5 539 539 A 68 ALA H A 69 ALA H 1.0 1.8 5.1 540 540 A 66 GLU HA A 68 ALA H 1.0 1.8 4.9 541 541 A 66 GLU HBx A 68 ALA H 1.0 1.8 5.3 542 542 A 68 ALA HB% A 68 ALA HA 1.0 1.8 6.3 543 543 A 68 ALA HB% A 68 ALA HA 1.0 1.8 6.3 544 544 A 67 LEU HBx A 68 ALA HB% 1.0 1.8 6.3 545 545 A 68 ALA HB% A 71 ASN HBx 1.0 1.8 5.3 546 546 A 66 GLU HBx A 68 ALA HB% 1.0 1.8 5.3 547 547 A 68 ALA HB% A 69 ALA H 1.0 1.8 4.6 548 548 A 69 ALA H A 68 ALA HA 1.0 1.8 3.6 549 549 A 69 ALA HA A 69 ALA H 1.0 1.8 5.6 550 550 A 69 ALA HB% A 69 ALA H 1.0 1.8 5.6 551 551 A 70 PHE HA A 69 ALA H 1.0 1.8 5.6 552 552 A 70 PHE H A 69 ALA H 1.0 1.8 4.9 553 553 A 66 GLU HA A 69 ALA H 1.0 1.8 5.2 554 554 A 71 ASN HBy A 69 ALA H 1.0 1.8 6.2 555 555 A 66 GLU HBx A 69 ALA H 1.0 1.8 5.0 556 556 A 67 LEU HBx A 69 ALA H 1.0 1.8 6.2 557 557 A 70 PHE HBx A 69 ALA H 1.0 1.8 4.9 558 558 A 69 ALA HA A 72 THR HG2% 1.0 1.8 4.9 559 559 A 69 ALA HB% A 70 PHE H 1.0 1.8 4.6 560 560 A 70 PHE H A 69 ALA HA 1.0 1.8 4.6 561 561 A 70 PHE H A 70 PHE HBy 1.0 1.8 4.6 562 562 A 70 PHE H A 70 PHE HBx 1.0 1.8 4.6 563 563 A 70 PHE H A 68 ALA H 1.0 1.8 5.0 564 564 A 70 PHE H A 71 ASN H 1.0 1.8 5.0 565 565 A 70 PHE H A 69 ALA H 1.0 1.8 5.0 566 566 A 70 PHE H A 71 ASN HBy 1.0 1.8 5.0 567 567 A 70 PHE HBy A 70 PHE HA 1.0 1.8 6.0 568 568 A 70 PHE HBy A 70 PHE HBx 1.0 1.8 6.0 569 569 A 67 LEU HA A 70 PHE HBx 1.0 1.8 5.0 570 570 A 70 PHE HBx A 70 PHE HA 1.0 1.8 6.0 571 571 A 70 PHE HA A 73 VAL HGy% 1.0 1.8 5.1 572 572 A 70 PHE HA A 71 ASN H 1.0 1.8 4.6 573 573 A 70 PHE HBy A 71 ASN H 1.0 1.8 4.6 574 574 A 70 PHE HBx A 71 ASN H 1.0 1.8 4.6 575 575 A 71 ASN HBx A 71 ASN H 1.0 1.8 5.6 576 576 A 71 ASN HBy A 71 ASN H 1.0 1.8 5.6 577 577 A 69 ALA H A 71 ASN H 1.0 1.8 4.9 578 578 A 70 PHE H A 71 ASN H 1.0 1.8 5.6 579 579 A 71 ASN H A 72 THR H 1.0 1.8 4.9 580 580 A 71 ASN H A 73 VAL HGy% 1.0 1.8 5.6 581 581 A 71 ASN HBy A 71 ASN HA 1.0 1.8 5.6 582 582 A 71 ASN HA A 74 VAL HB 1.0 1.8 5.6 583 583 A 70 PHE HBx A 71 ASN HBx 1.0 1.8 6.1 584 584 A 68 ALA HA A 71 ASN HD2y 1.0 1.8 5.9 585 585 A 4 ARG H A 71 ASN HD2y 1.0 1.8 5.9 586 586 A 68 ALA HA A 71 ASN HBx 1.0 1.8 5.3 587 587 A 71 ASN HBx A 72 THR H 1.0 1.8 5.6 588 588 A 71 ASN HBy A 72 THR H 1.0 1.8 5.6 589 589 A 72 THR H A 71 ASN HA 1.0 1.8 4.6 590 590 A 72 THR H A 72 THR HA 1.0 1.8 4.6 591 591 A 72 THR H A 72 THR HB 1.0 1.8 5.6 592 592 A 72 THR HG2% A 72 THR H 1.0 1.8 5.6 593 593 A 71 ASN H A 72 THR H 1.0 1.8 4.9 594 594 A 70 PHE H A 72 THR H 1.0 1.8 4.9 595 595 A 72 THR H A 73 VAL H 1.0 1.8 4.9 596 596 A 70 PHE HBy A 72 THR H 1.0 1.8 6.2 597 597 A 69 ALA HB% A 72 THR H 1.0 1.8 5.2 598 598 A 68 ALA HB% A 72 THR H 1.0 1.8 5.9 599 599 A 72 THR HB A 75 ALA HB% 1.0 1.8 5.9 600 600 A 72 THR HA A 73 VAL H 1.0 1.8 4.6 601 601 A 72 THR HG2% A 73 VAL H 1.0 1.8 4.6 602 602 A 73 VAL H A 73 VAL HB 1.0 1.8 4.6 603 603 A 73 VAL H A 73 VAL HA 1.0 1.8 4.6 604 604 A 73 VAL HGy% A 73 VAL H 1.0 1.8 4.6 605 605 A 73 VAL H A 74 VAL H 1.0 1.8 4.9 606 606 A 73 VAL H A 77 HIS H 1.0 1.8 6.5 607 607 A 71 ASN HBx A 73 VAL H 1.0 1.8 5.2 608 608 A 73 VAL HB A 73 VAL HGx% 1.0 1.8 5.2 609 609 A 70 PHE HA A 73 VAL HGy% 1.0 1.8 5.9 610 610 A 70 PHE HA A 73 VAL HB 1.0 1.8 4.9 611 611 A 73 VAL HA A 76 ARG HBy 1.0 1.8 4.9 612 612 A 73 VAL HB A 73 VAL HA 1.0 1.8 4.9 613 613 A 73 VAL HA A 73 VAL HGx% 1.0 1.8 5.5 614 614 A 73 VAL HB A 74 VAL H 1.0 1.8 4.6 615 615 A 74 VAL H A 73 VAL HGx% 1.0 1.8 4.6 616 616 A 73 VAL HGy% A 74 VAL H 1.0 1.8 4.6 617 617 A 74 VAL H A 74 VAL HA 1.0 1.8 4.6 618 618 A 74 VAL HB A 74 VAL H 1.0 1.8 5.6 619 619 A 75 ALA HB% A 74 VAL H 1.0 1.8 5.6 620 620 A 74 VAL H A 73 VAL HGx% 1.0 1.8 5.6 621 621 A 73 VAL HGy% A 74 VAL H 1.0 1.8 5.6 622 622 A 74 VAL H A 75 ALA H 1.0 1.8 5.4 623 623 A 70 PHE H A 74 VAL H 1.0 1.8 5.9 624 624 A 71 ASN HA A 74 VAL H 1.0 1.8 5.0 625 625 A 70 PHE HA A 74 VAL H 1.0 1.8 4.9 626 626 A 71 ASN HA A 74 VAL HB 1.0 1.8 4.9 627 627 A 73 VAL HGy% A 74 VAL HB 1.0 1.8 6.0 628 628 A 71 ASN H A 74 VAL HB 1.0 1.8 6.0 629 629 A 74 VAL HA A 75 ALA H 1.0 1.8 4.9 630 630 A 74 VAL HB A 75 ALA H 1.0 1.8 4.9 631 631 A 75 ALA H A 75 ALA HA 1.0 1.8 5.6 632 632 A 77 HIS H A 75 ALA H 1.0 1.8 6.2 633 633 A 74 VAL H A 75 ALA H 1.0 1.8 4.6 634 634 A 76 ARG H A 75 ALA HB% 1.0 1.8 5.6 635 635 A 76 ARG H A 75 ALA HA 1.0 1.8 5.6 636 636 A 76 ARG H A 77 HIS HA 1.0 1.8 6.2 637 637 A 76 ARG H A 76 ARG HBx 1.0 1.8 5.2 638 638 A 76 ARG H A 74 VAL HB 1.0 1.8 5.9 639 639 A 76 ARG H A 73 VAL HB 1.0 1.8 5.9 640 640 A 76 ARG H A 73 VAL HA 1.0 1.8 5.0 641 641 A 76 ARG H A 73 VAL H 1.0 1.8 5.0 642 642 A 76 ARG H A 77 HIS H 1.0 1.8 5.0 643 643 A 76 ARG H A 73 VAL HGy% 1.0 1.8 6.2 644 644 A 76 ARG HBx A 76 ARG HA 1.0 1.8 5.2 645 645 A 76 ARG HBy A 76 ARG HA 1.0 1.8 6.2 646 646 A 72 THR HG2% A 76 ARG HBy 1.0 1.8 6.2 647 647 A 77 HIS H A 76 ARG HBy 1.0 1.8 4.6 648 648 A 77 HIS H A 76 ARG HA 1.0 1.8 4.6 649 649 A 77 HIS H A 77 HIS HA 1.0 1.8 5.6 650 650 A 77 HIS H A 77 HIS HBy 1.0 1.8 5.6 651 651 A 77 HIS H A 77 HIS HBx 1.0 1.8 5.6 652 652 A 76 ARG H A 77 HIS H 1.0 1.8 4.9 653 653 A 73 VAL HGy% A 77 HIS H 1.0 1.8 5.6 654 654 A 77 HIS HA A 77 HIS HBy 1.0 1.8 5.6 655 655 A 77 HIS HA A 77 HIS HBy 1.0 1.8 5.6 656 656 A 77 HIS HA A 77 HIS HBx 1.0 1.8 5.6 657 657 A 76 ARG HBy A 77 HIS HA 1.0 1.8 5.6 658 658 A 78 VAL H A 78 VAL HA 1.0 1.8 5.6 659 659 A 78 VAL H A 78 VAL HB 1.0 1.8 4.6 660 660 A 78 VAL H A 78 VAL HGx% 1.0 1.8 5.6 661 661 A 78 VAL H A 78 VAL HGy% 1.0 1.8 5.6 662 662 A 78 VAL H A 78 VAL HB 1.0 1.8 5.6 663 663 A 78 VAL H A 79 ARG HA 1.0 1.8 6.2 664 664 A 78 VAL H A 79 ARG H 1.0 1.8 5.2 665 665 A 78 VAL HB A 78 VAL HGx% 1.0 1.8 5.2 666 666 A 78 VAL HB A 78 VAL HGy% 1.0 1.8 5.0 667 667 A 78 VAL HA A 78 VAL HGx% 1.0 1.8 5.0 668 668 A 78 VAL HA A 78 VAL HB 1.0 1.8 6.2 669 669 A 78 VAL HA A 78 VAL HGy% 1.0 1.8 6.2 670 670 A 34 GLY H A 78 VAL HGx% 1.0 1.8 5.9 671 671 A 78 VAL HA A 79 ARG H 1.0 1.8 4.9 672 672 A 78 VAL HB A 79 ARG H 1.0 1.8 4.9 673 673 A 78 VAL HGx% A 79 ARG H 1.0 1.8 5.6 674 674 A 78 VAL HGy% A 79 ARG H 1.0 1.8 5.6 675 675 A 78 VAL H A 79 ARG H 1.0 1.8 4.9 676 676 A 79 ARG H A 82 ALA H 1.0 1.8 5.4 677 677 A 79 ARG H A 1 PRO HBy 1.0 1.8 6.4 678 678 A 79 ARG H A 101 VAL HB 1.0 1.8 6.4 679 679 A 81 SER H A 80 PRO HBy 1.0 1.8 5.6 680 680 A 81 SER H A 80 PRO HBx 1.0 1.8 5.6 681 681 A 80 PRO HA A 81 SER H 1.0 1.8 4.0 682 682 A 81 SER H A 81 SER HA 1.0 1.8 5.6 683 683 A 82 ALA H A 81 SER H 1.0 1.8 5.4 684 684 A 81 SER H A 101 VAL H 1.0 1.8 5.9 685 685 A 101 VAL HB A 81 SER H 1.0 1.8 6.1 686 686 A 81 SER H A 102 GLY H 1.0 1.8 5.9 687 687 A 81 SER H A 102 GLY HAy 1.0 1.8 4.4 688 688 A 82 ALA H A 82 ALA HA 1.0 1.8 6.5 689 689 A 82 ALA H A 83 SER HA 1.0 1.8 6.5 690 690 A 82 ALA H A 82 ALA HB% 1.0 1.8 5.0 691 691 A 82 ALA H A 83 SER H 1.0 1.8 5.0 692 692 A 82 ALA H A 81 SER H 1.0 1.8 5.0 693 693 A 82 ALA H A 101 VAL HB 1.0 1.8 5.0 694 694 A 82 ALA H A 101 VAL H 1.0 1.8 4.4 695 695 A 82 ALA HA A 82 ALA HB% 1.0 1.8 5.4 696 696 A 101 VAL HB A 82 ALA HB% 1.0 1.8 5.4 697 697 A 82 ALA HA A 82 ALA HB% 1.0 1.8 5.4 698 698 A 81 SER HA A 82 ALA HB% 1.0 1.8 6.1 699 699 A 82 ALA HB% A 83 SER H 1.0 1.8 4.6 700 700 A 82 ALA HA A 83 SER H 1.0 1.8 4.6 701 701 A 83 SER HA A 83 SER H 1.0 1.8 5.6 702 702 A 83 SER H A 83 SER HBy 1.0 1.8 5.6 703 703 A 83 SER H A 83 SER HBx 1.0 1.8 5.6 704 704 A 83 SER H A 84 ILE H 1.0 1.8 6.0 705 705 A 82 ALA H A 83 SER H 1.0 1.8 5.0 706 706 A 83 SER HBx A 98 THR HG2% 1.0 1.8 6.0 707 707 A 83 SER HA A 100 VAL HA 1.0 1.8 4.2 708 708 A 83 SER HA A 83 SER HBy 1.0 1.8 6.0 709 709 A 83 SER HBx A 84 ILE H 1.0 1.8 6.0 710 710 A 83 SER HBx A 99 ILE H 1.0 1.8 6.0 711 711 A 83 SER HA A 83 SER HBx 1.0 1.8 6.0 712 712 A 83 SER HA A 99 ILE H 1.0 1.8 6.0 713 713 A 83 SER HBy A 84 ILE H 1.0 1.8 5.6 714 714 A 83 SER HA A 84 ILE H 1.0 1.8 5.6 715 715 A 83 SER H A 84 ILE H 1.0 1.8 6.0 716 716 A 84 ILE H A 99 ILE H 1.0 1.8 4.6 717 717 A 84 ILE H A 100 VAL HA 1.0 1.8 6.5 718 718 A 84 ILE H A 99 ILE HA 1.0 1.8 6.4 719 719 A 84 ILE H A 99 ILE HB 1.0 1.8 6.4 720 720 A 84 ILE H A 98 THR HG2% 1.0 1.8 5.4 721 721 A 85 PRO HA A 85 PRO HBy 1.0 1.8 5.9 722 722 A 85 PRO HA A 86 VAL H 1.0 1.8 5.9 723 723 A 98 THR HG2% A 85 PRO HA 1.0 1.8 5.9 724 724 A 99 ILE H A 85 PRO HA 1.0 1.8 4.9 725 725 A 86 VAL H A 85 PRO HBx 1.0 1.8 5.6 726 726 A 85 PRO HBy A 86 VAL H 1.0 1.8 5.6 727 727 A 86 VAL H A 97 ALA H 1.0 1.8 4.3 728 728 A 86 VAL H A 96 SER HA 1.0 1.8 6.2 729 729 A 86 VAL H A 97 ALA HB% 1.0 1.8 5.3 730 730 A 86 VAL HA A 86 VAL HB 1.0 1.8 6.2 731 731 A 86 VAL HA A 87 VAL H 1.0 1.8 3.6 732 732 A 86 VAL HB A 87 VAL H 1.0 1.8 5.6 733 733 A 86 VAL HB A 87 VAL H 1.0 1.8 5.6 734 734 A 57 VAL H A 87 VAL H 1.0 1.8 4.6 735 735 A 58 ARG H A 87 VAL H 1.0 1.8 4.8 736 736 A 58 ARG HA A 87 VAL H 1.0 1.8 4.6 737 737 A 87 VAL HA A 96 SER HA 1.0 1.8 4.6 738 738 A 87 VAL HA A 88 PHE H 1.0 1.8 4.6 739 739 A 89 SER H A 88 PHE H 1.0 1.8 6.2 740 740 A 88 PHE H A 88 PHE HBy 1.0 1.8 6.4 741 741 A 88 PHE H A 88 PHE HBx 1.0 1.8 6.4 742 742 A 96 SER HA A 88 PHE H 1.0 1.8 4.6 743 743 A 88 PHE H A 95 MET HGx 1.0 1.8 5.6 744 744 A 88 PHE H A 95 MET HBx 1.0 1.8 5.2 745 745 A 88 PHE HA A 56 LEU HA 1.0 1.8 4.2 746 746 A 88 PHE HA A 88 PHE HBy 1.0 1.8 6.2 747 747 A 89 SER H A 88 PHE HBx 1.0 1.8 5.6 748 748 A 89 SER H A 88 PHE HA 1.0 1.8 4.6 749 749 A 89 SER H A 89 SER HA 1.0 1.8 5.6 750 750 A 89 SER H A 89 SER HBy 1.0 1.8 5.6 751 751 A 89 SER H A 89 SER HBx 1.0 1.8 5.6 752 752 A 89 SER HBy A 94 VAL HA 1.0 1.8 5.6 753 753 A 89 SER H A 57 VAL H 1.0 1.8 5.1 754 754 A 55 GLN H A 89 SER H 1.0 1.8 4.6 755 755 A 89 SER HBy A 89 SER HA 1.0 1.8 6.0 756 756 A 89 SER H A 56 LEU HA 1.0 1.8 4.9 757 757 A 55 GLN HGx A 89 SER HBy 1.0 1.8 5.6 758 758 A 89 SER HA A 94 VAL HA 1.0 1.8 4.9 759 759 A 89 SER HBx A 89 SER HA 1.0 1.8 6.0 760 760 A 89 SER HA A 90 ARG HBx 1.0 1.8 5.6 761 761 A 94 VAL HGy% A 89 SER HA 1.0 1.8 6.0 762 762 A 89 SER HBx A 90 ARG H 1.0 1.8 5.6 763 763 A 89 SER HBy A 90 ARG H 1.0 1.8 5.6 764 764 A 89 SER HA A 90 ARG H 1.0 1.8 3.9 765 765 A 90 ARG H A 90 ARG HA 1.0 1.8 5.6 766 766 A 90 ARG H A 91 ASP HBy 1.0 1.8 6.2 767 767 A 90 ARG HBx A 90 ARG H 1.0 1.8 5.6 768 768 A 90 ARG H A 91 ASP H 1.0 1.8 5.9 769 769 A 90 ARG H A 94 VAL H 1.0 1.8 6.0 770 770 A 90 ARG H A 93 VAL H 1.0 1.8 4.0 771 771 A 94 VAL HA A 90 ARG H 1.0 1.8 5.0 772 772 A 90 ARG HA A 90 ARG HBy 1.0 1.8 5.6 773 773 A 90 ARG HA A 91 ASP H 1.0 1.8 3.6 774 774 A 91 ASP HA A 91 ASP H 1.0 1.8 4.6 775 775 A 91 ASP HBy A 91 ASP H 1.0 1.8 5.6 776 776 A 91 ASP HBx A 91 ASP H 1.0 1.8 5.6 777 777 A 92 GLY H A 91 ASP H 1.0 1.8 5.6 778 778 A 91 ASP H A 92 GLY HAx 1.0 1.8 6.0 779 779 A 91 ASP H A 93 VAL H 1.0 1.8 6.5 780 780 A 90 ARG H A 91 ASP H 1.0 1.8 6.4 781 781 A 16 ASP HA A 91 ASP H 1.0 1.8 5.9 782 782 A 90 ARG HA A 91 ASP HBy 1.0 1.8 5.9 783 783 A 16 ASP HBx A 91 ASP HBy 1.0 1.8 5.9 784 784 A 91 ASP HA A 91 ASP HBy 1.0 1.8 5.9 785 785 A 16 ASP HBx A 91 ASP HA 1.0 1.8 4.9 786 786 A 92 GLY H A 91 ASP HBy 1.0 1.8 6.5 787 787 A 91 ASP HBx A 92 GLY H 1.0 1.8 6.5 788 788 A 92 GLY H A 92 GLY HAx 1.0 1.8 4.6 789 789 A 92 GLY H A 90 ARG H 1.0 1.8 5.9 790 790 A 92 GLY H A 91 ASP H 1.0 1.8 4.6 791 791 A 92 GLY H A 93 VAL H 1.0 1.8 4.6 792 792 A 92 GLY H A 93 VAL HB 1.0 1.8 6.0 793 793 A 16 ASP HBx A 92 GLY H 1.0 1.8 4.9 794 794 A 93 VAL H A 92 GLY HAx 1.0 1.8 4.6 795 795 A 93 VAL H A 93 VAL HA 1.0 1.8 4.6 796 796 A 93 VAL H A 93 VAL HB 1.0 1.8 4.6 797 797 A 92 GLY H A 93 VAL H 1.0 1.8 5.2 798 798 A 91 ASP H A 93 VAL H 1.0 1.8 5.9 799 799 A 90 ARG H A 93 VAL H 1.0 1.8 4.6 800 800 A 91 ASP HBy A 93 VAL H 1.0 1.8 6.2 801 801 A 91 ASP HBx A 93 VAL H 1.0 1.8 6.2 802 802 A 89 SER HA A 93 VAL H 1.0 1.8 5.9 803 803 A 90 ARG H A 93 VAL HB 1.0 1.8 4.9 804 804 A 94 VAL H A 93 VAL HA 1.0 1.8 3.6 805 805 A 94 VAL H A 93 VAL HB 1.0 1.8 5.6 806 806 A 94 VAL H A 93 VAL H 1.0 1.8 5.6 807 807 A 94 VAL H A 95 MET H 1.0 1.8 5.6 808 808 A 94 VAL H A 94 VAL HB 1.0 1.8 4.6 809 809 A 89 SER HA A 94 VAL H 1.0 1.8 6.2 810 810 A 94 VAL HGy% A 89 SER HA 1.0 1.8 5.2 811 811 A 94 VAL HGy% A 94 VAL HA 1.0 1.8 5.2 812 812 A 94 VAL HA A 95 MET H 1.0 1.8 5.2 813 813 A 94 VAL HA A 94 VAL HB 1.0 1.8 5.2 814 814 A 89 SER HA A 94 VAL HA 1.0 1.8 4.9 815 815 A 94 VAL HA A 95 MET H 1.0 1.8 3.6 816 816 A 94 VAL HGy% A 95 MET H 1.0 1.8 4.6 817 817 A 94 VAL H A 95 MET H 1.0 1.8 6.2 818 818 A 95 MET H A 96 SER H 1.0 1.8 6.2 819 819 A 95 MET HGx A 95 MET H 1.0 1.8 6.2 820 820 A 95 MET HBx A 95 MET H 1.0 1.8 4.6 821 821 A 88 PHE H A 95 MET H 1.0 1.8 4.9 822 822 A 89 SER HA A 95 MET H 1.0 1.8 4.9 823 823 A 89 SER HBy A 95 MET H 1.0 1.8 6.0 824 824 A 89 SER HBx A 95 MET H 1.0 1.8 6.0 825 825 A 95 MET HBx A 95 MET HA 1.0 1.8 6.0 826 826 A 95 MET HA A 95 MET HBy 1.0 1.8 6.0 827 827 A 95 MET HGx A 95 MET HA 1.0 1.8 6.0 828 828 A 95 MET HA A 95 MET HGy 1.0 1.8 6.0 829 829 A 95 MET HA A 95 MET HBy 1.0 1.8 6.0 830 830 A 96 SER H A 95 MET HA 1.0 1.8 3.6 831 831 A 96 SER H A 95 MET HBy 1.0 1.8 4.6 832 832 A 95 MET HBx A 96 SER H 1.0 1.8 4.6 833 833 A 96 SER H A 95 MET HGy 1.0 1.8 5.6 834 834 A 95 MET HGx A 96 SER H 1.0 1.8 5.6 835 835 A 87 VAL HA A 96 SER HA 1.0 1.8 4.5 836 836 A 96 SER HA A 97 ALA HB% 1.0 1.8 6.4 837 837 A 97 ALA H A 96 SER HA 1.0 1.8 3.6 838 838 A 97 ALA H A 97 ALA HB% 1.0 1.8 4.6 839 839 A 97 ALA H A 98 THR H 1.0 1.8 5.9 840 840 A 97 ALA H A 98 THR HA 1.0 1.8 4.9 841 841 A 97 ALA H A 96 SER H 1.0 1.8 5.9 842 842 A 97 ALA H A 86 VAL HB 1.0 1.8 5.6 843 843 A 86 VAL H A 97 ALA H 1.0 1.8 4.1 844 844 A 87 VAL HB A 97 ALA H 1.0 1.8 6.5 845 845 A 97 ALA HB% A 97 ALA HA 1.0 1.8 5.9 846 846 A 98 THR H A 97 ALA HA 1.0 1.8 3.6 847 847 A 98 THR H A 98 THR HB 1.0 1.8 5.0 848 848 A 97 ALA H A 98 THR H 1.0 1.8 6.4 849 849 A 48 ALA HB% A 98 THR HA 1.0 1.8 5.4 850 850 A 86 VAL H A 98 THR HA 1.0 1.8 4.9 851 851 A 48 ALA HB% A 98 THR HG2% 1.0 1.8 5.4 852 852 A 99 ILE H A 98 THR HB 1.0 1.8 5.4 853 853 A 98 THR HG2% A 98 THR HA 1.0 1.8 5.4 854 854 A 99 ILE H A 98 THR HA 1.0 1.8 3.6 855 855 A 99 ILE H A 98 THR HB 1.0 1.8 5.6 856 856 A 98 THR HG2% A 99 ILE H 1.0 1.8 4.6 857 857 A 99 ILE H A 99 ILE HA 1.0 1.8 5.6 858 858 A 99 ILE H A 99 ILE HB 1.0 1.8 4.6 859 859 A 84 ILE H A 99 ILE H 1.0 1.8 4.9 860 860 A 83 SER HA A 99 ILE H 1.0 1.8 6.2 861 861 A 48 ALA HB% A 99 ILE HA 1.0 1.8 5.4 862 862 A 99 ILE HA A 100 VAL H 1.0 1.8 3.6 863 863 A 99 ILE HB A 100 VAL H 1.0 1.8 5.6 864 864 A 100 VAL HA A 100 VAL H 1.0 1.8 5.6 865 865 A 100 VAL H A 100 VAL HB 1.0 1.8 4.6 866 866 A 48 ALA HB% A 100 VAL H 1.0 1.8 5.6 867 867 A 83 SER HA A 100 VAL HA 1.0 1.8 4.3 868 868 A 100 VAL HA A 100 VAL HB 1.0 1.8 5.6 869 869 A 101 VAL H A 100 VAL HA 1.0 1.8 4.6 870 870 A 101 VAL H A 100 VAL HB 1.0 1.8 5.6 871 871 A 101 VAL H A 102 GLY H 1.0 1.8 6.0 872 872 A 101 VAL H A 101 VAL HA 1.0 1.8 6.0 873 873 A 101 VAL HB A 101 VAL H 1.0 1.8 6.0 874 874 A 101 VAL H A 100 VAL H 1.0 1.8 6.0 875 875 A 101 VAL HB A 82 ALA HB% 1.0 1.8 5.6 876 876 A 82 ALA H A 101 VAL H 1.0 1.8 4.4 877 877 A 101 VAL H A 83 SER HA 1.0 1.8 4.9 878 878 A 101 VAL H A 82 ALA HB% 1.0 1.8 5.4 879 879 A 102 GLY H A 101 VAL HA 1.0 1.8 4.6 880 880 A 101 VAL HB A 102 GLY H 1.0 1.8 5.6 881 881 A 101 VAL H A 102 GLY H 1.0 1.8 6.0 882 882 A 102 GLY H A 102 GLY HAy 1.0 1.8 5.6 883 883 A 102 GLY H A 102 GLY HAx 1.0 1.8 5.6 884 884 A 44 PRO HA A 102 GLY H 1.0 1.8 5.8 885 885 A 102 GLY HAy A 103 GLU H 1.0 1.8 5.6 886 886 A 102 GLY HAx A 103 GLU H 1.0 1.8 5.6 887 887 A 101 VAL HA A 103 GLU H 1.0 1.8 6.0 888 888 A 103 GLU H A 104 LEU H 1.0 1.8 6.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin 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 26 GLN H A 10 ARG O 1.0 2.5 2.5 2 2 A 10 ARG O A 26 GLN N 1.0 3.5 3.5 3 3 A 12 ALA H A 24 SER O 1.0 2.5 2.5 4 4 A 24 SER O A 12 ALA N 1.0 3.5 3.5 5 5 A 24 SER H A 12 ALA O 1.0 2.5 2.5 6 6 A 12 ALA O A 24 SER N 1.0 3.5 3.5 7 7 A 101 VAL H A 82 ALA O 1.0 2.5 2.5 8 8 A 82 ALA O A 101 VAL N 1.0 3.5 3.5 9 9 A 82 ALA H A 101 VAL O 1.0 2.5 2.5 10 10 A 101 VAL O A 82 ALA N 1.0 3.5 3.5 11 11 A 99 ILE H A 84 ILE O 1.0 2.5 2.5 12 12 A 84 ILE O A 99 ILE N 1.0 3.5 3.5 13 13 A 97 ALA H A 86 VAL O 1.0 2.5 2.5 14 14 A 86 VAL O A 97 ALA N 1.0 3.5 3.5 15 15 A 95 MET H A 88 PHE O 1.0 2.5 2.5 16 16 A 88 PHE O A 95 MET N 1.0 3.5 3.5 17 17 A 88 PHE H A 95 MET O 1.0 2.5 2.5 18 18 A 95 MET O A 88 PHE N 1.0 3.5 3.5 19 19 A 90 ARG H A 93 VAL O 1.0 2.5 2.5 20 20 A 93 VAL O A 90 ARG N 1.0 3.5 3.5 21 21 A 55 GLN H A 89 SER O 1.0 2.5 2.5 22 22 A 89 SER O A 55 GLN N 1.0 3.5 3.5 23 23 A 89 SER H A 55 GLN O 1.0 2.5 2.5 24 24 A 55 GLN O A 89 SER N 1.0 3.5 3.5 25 25 A 57 VAL H A 87 VAL O 1.0 2.5 2.5 26 26 A 87 VAL O A 57 VAL N 1.0 3.5 3.5 27 27 A 62 TYR H A 59 PHE O 1.0 2.5 2.5 28 28 A 59 PHE O A 62 TYR N 1.0 3.5 3.5 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 1 PRO C A 2 LEU N A 2 LEU CA A 2 LEU C 1.0 -179.61 -138.87 PHI 2 2 A 2 LEU N A 2 LEU CA A 2 LEU C A 3 THR N 1.0 154.65 166.97 PSI 3 3 A 2 LEU C A 3 THR N A 3 THR CA A 3 THR C 1.0 -129.61 -88.87 PHI 4 4 A 3 THR N A 3 THR CA A 3 THR C A 4 ARG N 1.0 154.65 166.97 PSI 5 5 A 5 PRO C A 6 TYR N A 6 TYR CA A 6 TYR C 1.0 -123.65 -85.89 PHI 6 6 A 6 TYR N A 6 TYR CA A 6 TYR C A 7 LEU N 1.0 126.97 152.61 PSI 7 7 A 6 TYR C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -114.56 -73.00 PHI 8 8 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 GLY N 1.0 123.07 141.65 PSI 9 9 A 9 PHE C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -147.25 -114.17 PHI 10 10 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 VAL N 1.0 138.96 173.74 PSI 11 11 A 11 VAL C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -124.32 -108.62 PHI 12 12 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 VAL N 1.0 122.00 141.30 PSI 13 13 A 12 ALA C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -122.74 -80.34 PHI 14 14 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 GLY N 1.0 107.43 135.89 PSI 15 15 A 14 GLY C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -132.72 -101.82 PHI 16 16 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 ASP N 1.0 128.26 145.32 PSI 17 17 A 15 ARG C A 16 ASP N A 16 ASP CA A 16 ASP C 1.0 -98.92 -83.98 PHI 18 18 A 16 ASP N A 16 ASP CA A 16 ASP C A 17 SER N 1.0 157.09 184.91 PSI 19 19 A 16 ASP C A 17 SER N A 17 SER CA A 17 SER C 1.0 -81.02 -55.26 PHI 20 20 A 17 SER N A 17 SER CA A 17 SER C A 18 SER N 1.0 -26.67 4.25 PSI 21 21 A 17 SER C A 18 SER N A 18 SER CA A 18 SER C 1.0 -91.02 -45.26 PHI 22 22 A 18 SER N A 18 SER CA A 18 SER C A 19 GLY N 1.0 -69.67 -18.75 PSI 23 23 A 21 THR C A 22 THR N A 22 THR CA A 22 THR C 1.0 -142.05 -112.57 PHI 24 24 A 22 THR N A 22 THR CA A 22 THR C A 23 LEU N 1.0 140.57 173.67 PSI 25 25 A 22 THR C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -147.60 -94.74 PHI 26 26 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 SER N 1.0 110.13 159.87 PSI 27 27 A 23 LEU C A 24 SER N A 24 SER CA A 24 SER C 1.0 -150.57 -80.73 PHI 28 28 A 24 SER N A 24 SER CA A 24 SER C A 25 ILE N 1.0 129.70 180.52 PSI 29 29 A 24 SER C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -96.10 -68.78 PHI 30 30 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 GLN N 1.0 111.11 132.83 PSI 31 31 A 26 GLN C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -128.04 -98.84 PHI 32 32 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 VAL N 1.0 -182.97 -155.57 PSI 33 33 A 27 GLU C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -126.04 -100.12 PHI 34 34 A 28 VAL N A 28 VAL CA A 28 VAL C A 29 THR N 1.0 120.30 139.32 PSI 35 35 A 28 VAL C A 29 THR N A 29 THR CA A 29 THR C 1.0 -120.79 -77.73 PHI 36 36 A 29 THR N A 29 THR CA A 29 THR C A 30 GLN N 1.0 -25.67 3.15 PSI 37 37 A 29 THR C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -111.46 -74.54 PHI 38 38 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 THR N 1.0 -16.28 16.28 PSI 39 39 A 30 GLN C A 31 THR N A 31 THR CA A 31 THR C 1.0 -111.46 -74.54 PHI 40 40 A 31 THR N A 31 THR CA A 31 THR C A 32 TYR N 1.0 -16.28 16.28 PSI 41 41 A 31 THR C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -160.32 -123.40 PHI 42 42 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 THR N 1.0 147.13 179.69 PSI 43 43 A 32 TYR C A 33 THR N A 33 THR CA A 33 THR C 1.0 -160.32 -123.40 PHI 44 44 A 33 THR N A 33 THR CA A 33 THR C A 34 GLY N 1.0 127.13 159.69 PSI 45 45 A 35 SER C A 36 ASN N A 36 ASN CA A 36 ASN C 1.0 51.40 60.32 PHI 46 46 A 36 ASN N A 36 ASN CA A 36 ASN C A 37 GLY N 1.0 30.13 38.69 PSI 47 47 A 41 LEU C A 42 MET N A 42 MET CA A 42 MET C 1.0 -149.80 -114.32 PHI 48 48 A 42 MET N A 42 MET CA A 42 MET C A 43 GLY N 1.0 111.68 157.38 PSI 49 49 A 44 PRO C A 45 ALA N A 45 ALA CA A 45 ALA C 1.0 -79.80 -64.32 PHI 50 50 A 45 ALA N A 45 ALA CA A 45 ALA C A 46 PHE N 1.0 -47.38 -21.68 PSI 51 51 A 46 PHE C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -79.80 -64.32 PHI 52 52 A 46 PHE C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -73.80 -58.32 PHI 53 53 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 ALA N 1.0 -47.38 -21.68 PSI 54 54 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 ALA N 1.0 -38.38 -12.68 PSI 55 55 A 47 ALA C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -99.66 -69.64 PHI 56 56 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 GLY N 1.0 -22.28 17.62 PSI 57 57 A 48 ALA C A 49 GLY N A 49 GLY CA A 49 GLY C 1.0 87.87 109.63 PHI 58 58 A 49 GLY N A 49 GLY CA A 49 GLY C A 50 LEU N 1.0 2.19 15.09 PSI 59 59 A 50 LEU C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -142.51 -106.79 PHI 60 60 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 VAL N 1.0 157.16 177.88 PSI 61 61 A 51 ARG C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -81.06 -55.76 PHI 62 62 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 GLY N 1.0 112.82 141.02 PSI 63 63 A 53 GLY C A 54 ASP N A 54 ASP CA A 54 ASP C 1.0 -100.89 -66.45 PHI 64 64 A 54 ASP N A 54 ASP CA A 54 ASP C A 55 GLN N 1.0 114.29 154.31 PSI 65 65 A 54 ASP C A 55 GLN N A 55 GLN CA A 55 GLN C 1.0 -136.37 -69.83 PHI 66 66 A 55 GLN N A 55 GLN CA A 55 GLN C A 56 LEU N 1.0 110.46 148.50 PSI 67 67 A 56 LEU C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -119.77 -90.65 PHI 68 68 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 ARG N 1.0 -59.93 -37.51 PSI 69 69 A 58 ARG C A 59 PHE N A 59 PHE CA A 59 PHE C 1.0 -141.45 -102.09 PHI 70 70 A 59 PHE N A 59 PHE CA A 59 PHE C A 60 ALA N 1.0 114.90 147.42 PSI 71 71 A 63 THR C A 64 VAL N A 64 VAL CA A 64 VAL C 1.0 -147.99 -99.19 PHI 72 72 A 64 VAL N A 64 VAL CA A 64 VAL C A 65 THR N 1.0 155.40 178.76 PSI 73 73 A 64 VAL C A 65 THR N A 65 THR CA A 65 THR C 1.0 -101.99 -73.19 PHI 74 74 A 65 THR N A 65 THR CA A 65 THR C A 66 GLU N 1.0 -85.76 -62.40 PSI 75 75 A 66 GLU C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -66.18 -53.64 PHI 76 76 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 ALA N 1.0 -47.48 -26.70 PSI 77 77 A 67 LEU C A 68 ALA N A 68 ALA CA A 68 ALA C 1.0 -66.47 -57.69 PHI 78 78 A 68 ALA N A 68 ALA CA A 68 ALA C A 69 ALA N 1.0 -43.69 -35.03 PSI 79 79 A 68 ALA C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -68.37 -56.93 PHI 80 80 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 PHE N 1.0 -48.77 -34.75 PSI 81 81 A 69 ALA C A 70 PHE N A 70 PHE CA A 70 PHE C 1.0 -81.67 -55.47 PHI 82 82 A 70 PHE N A 70 PHE CA A 70 PHE C A 71 ASN N 1.0 -34.13 -2.25 PSI 83 83 A 70 PHE C A 71 ASN N A 71 ASN CA A 71 ASN C 1.0 -72.03 -60.27 PHI 84 84 A 71 ASN N A 71 ASN CA A 71 ASN C A 72 THR N 1.0 -44.80 -26.52 PSI 85 85 A 71 ASN C A 72 THR N A 72 THR CA A 72 THR C 1.0 -71.53 -60.51 PHI 86 86 A 72 THR N A 72 THR CA A 72 THR C A 73 VAL N 1.0 -46.45 -35.59 PSI 87 87 A 72 THR C A 73 VAL N A 73 VAL CA A 73 VAL C 1.0 -70.29 -57.37 PHI 88 88 A 73 VAL N A 73 VAL CA A 73 VAL C A 74 VAL N 1.0 -49.15 -41.17 PSI 89 89 A 73 VAL C A 74 VAL N A 74 VAL CA A 74 VAL C 1.0 -67.31 -58.87 PHI 90 90 A 74 VAL N A 74 VAL CA A 74 VAL C A 75 ALA N 1.0 -49.39 -37.49 PSI 91 91 A 74 VAL C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -72.02 -56.86 PHI 92 92 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 ARG N 1.0 -43.24 -17.50 PSI 93 93 A 75 ALA C A 76 ARG N A 76 ARG CA A 76 ARG C 1.0 -78.09 -50.15 PHI 94 94 A 76 ARG N A 76 ARG CA A 76 ARG C A 77 HIS N 1.0 -53.86 -19.40 PSI 95 95 A 76 ARG C A 77 HIS N A 77 HIS CA A 77 HIS C 1.0 -117.42 -78.24 PHI 96 96 A 77 HIS N A 77 HIS CA A 77 HIS C A 78 VAL N 1.0 -52.59 -27.87 PSI 97 97 A 78 VAL C A 79 ARG N A 79 ARG CA A 79 ARG C 1.0 -154.68 -130.94 PHI 98 98 A 79 ARG N A 79 ARG CA A 79 ARG C A 80 PRO N 1.0 149.51 174.01 PSI 99 99 A 82 ALA C A 83 SER N A 83 SER CA A 83 SER C 1.0 -115.22 -77.22 PHI 100 100 A 83 SER N A 83 SER CA A 83 SER C A 84 ILE N 1.0 85.32 143.44 PSI 101 101 A 83 SER C A 84 ILE N A 84 ILE CA A 84 ILE C 1.0 -151.44 -100.46 PHI 102 102 A 84 ILE N A 84 ILE CA A 84 ILE C A 85 PRO N 1.0 128.35 181.21 PSI 103 103 A 85 PRO C A 86 VAL N A 86 VAL CA A 86 VAL C 1.0 -141.28 -89.74 PHI 104 104 A 86 VAL N A 86 VAL CA A 86 VAL C A 87 VAL N 1.0 103.69 148.61 PSI 105 105 A 86 VAL C A 87 VAL N A 87 VAL CA A 87 VAL C 1.0 -121.69 -89.97 PHI 106 106 A 87 VAL N A 87 VAL CA A 87 VAL C A 88 PHE N 1.0 112.86 136.50 PSI 107 107 A 87 VAL C A 88 PHE N A 88 PHE CA A 88 PHE C 1.0 -129.60 -100.28 PHI 108 108 A 88 PHE N A 88 PHE CA A 88 PHE C A 89 SER N 1.0 121.69 162.67 PSI 109 109 A 88 PHE C A 89 SER N A 89 SER CA A 89 SER C 1.0 -136.60 -110.30 PHI 110 110 A 89 SER N A 89 SER CA A 89 SER C A 90 ARG N 1.0 112.64 147.34 PSI 111 111 A 91 ASP C A 92 GLY N A 92 GLY CA A 92 GLY C 1.0 70.09 100.47 PHI 112 112 A 92 GLY N A 92 GLY CA A 92 GLY C A 93 VAL N 1.0 -27.61 12.55 PSI 113 113 A 92 GLY C A 93 VAL N A 93 VAL CA A 93 VAL C 1.0 -108.59 -66.75 PHI 114 114 A 93 VAL N A 93 VAL CA A 93 VAL C A 94 VAL N 1.0 120.94 145.54 PSI 115 115 A 93 VAL C A 94 VAL N A 94 VAL CA A 94 VAL C 1.0 -112.56 -73.32 PHI 116 116 A 94 VAL N A 94 VAL CA A 94 VAL C A 95 MET N 1.0 113.48 136.80 PSI 117 117 A 95 MET C A 96 SER N A 96 SER CA A 96 SER C 1.0 -140.62 -109.48 PHI 118 118 A 96 SER N A 96 SER CA A 96 SER C A 97 ALA N 1.0 131.36 157.66 PSI 119 119 A 96 SER C A 97 ALA N A 97 ALA CA A 97 ALA C 1.0 -140.55 -105.37 PHI 120 120 A 97 ALA N A 97 ALA CA A 97 ALA C A 98 THR N 1.0 113.33 138.97 PSI 121 121 A 97 ALA C A 98 THR N A 98 THR CA A 98 THR C 1.0 -127.66 -84.60 PHI 122 122 A 98 THR N A 98 THR CA A 98 THR C A 99 ILE N 1.0 105.83 142.41 PSI 123 123 A 98 THR C A 99 ILE N A 99 ILE CA A 99 ILE C 1.0 -114.62 -91.24 PHI 124 124 A 99 ILE N A 99 ILE CA A 99 ILE C A 100 VAL N 1.0 111.85 125.77 PSI 125 125 A 99 ILE C A 100 VAL N A 100 VAL CA A 100 VAL C 1.0 -119.84 -80.54 PHI 126 126 A 100 VAL N A 100 VAL CA A 100 VAL C A 101 VAL N 1.0 112.50 157.66 PSI 127 127 A 100 VAL C A 101 VAL N A 101 VAL CA A 101 VAL C 1.0 -102.16 -52.72 PHI 128 128 A 101 VAL N A 101 VAL CA A 101 VAL C A 102 GLY N 1.0 92.31 153.71 PSI 129 129 A 102 GLY C A 103 GLU N A 103 GLU CA A 103 GLU C 1.0 -92.16 -62.72 PHI 130 130 A 103 GLU N A 103 GLU CA A 103 GLU C A 104 LEU N 1.0 -35.70 -14.30 PSI 131 131 A 49 GLY C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -110.16 -68.72 PHI 132 132 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 ARG N 1.0 112.30 141.70 PSI 133 133 A 39 ALA C A 40 ASP N A 40 ASP CA A 40 ASP C 1.0 -110.16 -68.72 PHI 134 134 A 40 ASP N A 40 ASP CA A 40 ASP C A 41 LEU N 1.0 112.30 141.70 PSI 135 135 A 62 TYR C A 63 THR N A 63 THR CA A 63 THR C 1.0 -145.16 -103.72 PHI 136 136 A 63 THR N A 63 THR CA A 63 THR C A 64 VAL N 1.0 127.30 156.70 PSI 137 137 A 89 SER C A 90 ARG N A 90 ARG CA A 90 ARG C 1.0 -163.19 -117.29 PHI 138 138 A 90 ARG N A 90 ARG CA A 90 ARG C A 91 ASP N 1.0 65.71 100.39 PSI 139 139 A 57 VAL C A 58 ARG N A 58 ARG CA A 58 ARG C 1.0 51.81 59.19 PHI 140 140 A 58 ARG N A 58 ARG CA A 58 ARG C A 59 PHE N 1.0 31.09 38.51 PSI 141 141 A 59 PHE C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -108.19 -72.81 PHI 142 142 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 GLY N 1.0 105.09 136.51 PSI 143 143 A 19 GLY C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -113.19 -77.81 PHI 144 144 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 THR N 1.0 -20.51 10.91 PSI 145 145 A 10 ARG C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -134.86 -107.12 PHI 146 146 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 ALA N 1.0 111.13 150.35 PSI 147 147 A 34 GLY C A 35 SER N A 35 SER CA A 35 SER C 1.0 -134.86 -107.12 PHI 148 148 A 35 SER N A 35 SER CA A 35 SER C A 36 ASN N 1.0 111.13 150.35 PSI 149 149 A 101 VAL C A 102 GLY N A 102 GLY CA A 102 GLY C 1.0 -134.86 -107.12 PHI 150 150 A 102 GLY N A 102 GLY CA A 102 GLY C A 103 GLU N 1.0 111.13 150.35 PSI 151 151 A 90 ARG C A 91 ASP N A 91 ASP CA A 91 ASP C 1.0 51.35 59.75 PHI 152 152 A 91 ASP N A 91 ASP CA A 91 ASP C A 92 GLY N 1.0 30.97 38.23 PSI 153 153 A 61 GLY C A 62 TYR N A 62 TYR CA A 62 TYR C 1.0 51.35 59.75 PHI 154 154 A 62 TYR N A 62 TYR CA A 62 TYR C A 63 THR N 1.0 30.97 38.23 PSI 155 155 A 77 HIS C A 78 VAL N A 78 VAL CA A 78 VAL C 1.0 -67.75 -39.35 PHI 156 156 A 78 VAL N A 78 VAL CA A 78 VAL C A 79 ARG N 1.0 85.97 113.23 PSI 157 157 A 80 PRO C A 81 SER N A 81 SER CA A 81 SER C 1.0 51.35 59.75 PHI 158 158 A 81 SER N A 81 SER CA A 81 SER C A 82 ALA N 1.0 30.97 38.23 PSI 159 159 A 20 CYS C A 21 THR N A 21 THR CA A 21 THR C 1.0 48.35 76.75 PHI 160 160 A 21 THR N A 21 THR CA A 21 THR C A 22 THR N 1.0 71.97 99.23 PSI 161 161 A 94 VAL C A 95 MET N A 95 MET CA A 95 MET C 1.0 -154.75 -126.35 PHI 162 162 A 95 MET N A 95 MET CA A 95 MET C A 96 SER N 1.0 145.97 173.23 PSI 163 163 A 81 SER C A 82 ALA N A 82 ALA CA A 82 ALA C 1.0 -112.75 -84.35 PHI 164 164 A 82 ALA N A 82 ALA CA A 82 ALA C A 83 SER N 1.0 96.97 124.23 PSI 165 165 A 7 LEU C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 -139.75 -111.35 PHI 166 166 A 8 GLY N A 8 GLY CA A 8 GLY C A 9 PHE N 1.0 16.97 44.23 PSI 167 167 A 8 GLY C A 9 PHE N A 9 PHE CA A 9 PHE C 1.0 -174.75 -146.35 PHI 168 168 A 9 PHE N A 9 PHE CA A 9 PHE C A 10 ARG N 1.0 150.97 178.23 PSI 169 169 A 18 SER C A 19 GLY N A 19 GLY CA A 19 GLY C 1.0 89.35 117.75 PHI 170 170 A 19 GLY N A 19 GLY CA A 19 GLY C A 20 CYS N 1.0 43.97 71.23 PSI 171 171 A 13 VAL C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 -168.75 -140.35 PHI 172 172 A 14 GLY N A 14 GLY CA A 14 GLY C A 15 ARG N 1.0 -171.23 -143.97 PSI 173 173 A 45 ALA C A 46 PHE N A 46 PHE CA A 46 PHE C 1.0 -94.75 -66.35 PHI 174 174 A 46 PHE N A 46 PHE CA A 46 PHE C A 47 ALA N 1.0 -37.23 -9.97 PSI 175 175 A 25 ILE C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -119.75 -91.35 PHI 176 176 A 26 GLN N A 26 GLN CA A 26 GLN C A 27 GLU N 1.0 -36.23 -8.97 PSI 177 177 A 40 ASP C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -193.75 -165.35 PHI 178 178 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 MET N 1.0 -182.23 -154.97 PSI 179 179 A 42 MET C A 43 GLY N A 43 GLY CA A 43 GLY C 1.0 -193.75 -165.35 PHI 180 180 A 43 GLY N A 43 GLY CA A 43 GLY C A 44 PRO N 1.0 -82.23 -54.97 PSI 181 181 A 33 THR C A 34 GLY N A 34 GLY CA A 34 GLY C 1.0 -187.75 -159.35 PHI 182 182 A 36 ASN C A 37 GLY N A 37 GLY CA A 37 GLY C 1.0 -185.75 -157.35 PHI 183 183 A 37 GLY N A 37 GLY CA A 37 GLY C A 38 GLY N 1.0 -82.23 -54.97 PSI stop_ save_