data_nef_c25109_2ms8 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 2MS8 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 GLY start . false 2 A 0 SER middle . . 3 A 1 MET middle . . 4 A 2 PRO middle . false 5 A 3 PHE middle . . 6 A 4 ALA middle . . 7 A 5 GLU middle . . 8 A 6 ASP middle . . 9 A 7 LYS middle . . 10 A 8 THR middle . . 11 A 9 TYR middle . . 12 A 10 LYS middle . . 13 A 11 TYR middle . . 14 A 12 ILE middle . . 15 A 13 CYS middle . . 16 A 14 ARG middle . . 17 A 15 ASN middle . . 18 A 16 PHE middle . . 19 A 17 SER middle . . 20 A 18 ASN middle . . 21 A 19 PHE middle . . 22 A 20 CYS middle . . 23 A 21 ASN middle . . 24 A 22 VAL middle . . 25 A 23 ASP middle . . 26 A 24 VAL middle . . 27 A 25 VAL middle . . 28 A 26 GLU middle . . 29 A 27 ILE middle . . 30 A 28 LEU middle . . 31 A 29 PRO middle . false 32 A 30 TYR middle . . 33 A 31 LEU middle . . 34 A 32 PRO middle . false 35 A 33 CYS middle . . 36 A 34 LEU middle . . 37 A 35 THR middle . . 38 A 36 ALA middle . . 39 A 37 ARG middle . . 40 A 38 ASP middle . . 41 A 39 GLN middle . . 42 A 40 ASP middle . . 43 A 41 ARG middle . . 44 A 42 LEU middle . . 45 A 43 ARG middle . . 46 A 44 ALA middle . . 47 A 45 THR middle . . 48 A 46 CYS middle . . 49 A 47 THR middle . . 50 A 48 LEU middle . . 51 A 49 SER middle . . 52 A 50 GLY middle . false 53 A 51 ASN middle . . 54 A 52 ARG middle . . 55 A 53 ASP middle . . 56 A 54 THR middle . . 57 A 55 LEU middle . . 58 A 56 TRP middle . . 59 A 57 HIS middle . . 60 A 58 LEU middle . . 61 A 59 PHE middle . . 62 A 60 ASN middle . . 63 A 61 THR middle . . 64 A 62 LEU middle . . 65 A 63 GLN middle . . 66 A 64 ARG middle . . 67 A 65 ARG middle . . 68 A 66 PRO middle . false 69 A 67 GLY middle . false 70 A 68 TRP middle . . 71 A 69 VAL middle . . 72 A 70 GLU middle . . 73 A 71 TYR middle . . 74 A 72 PHE middle . . 75 A 73 ILE middle . . 76 A 74 ALA middle . . 77 A 75 ALA middle . . 78 A 76 LEU middle . . 79 A 77 ARG middle . . 80 A 78 GLY middle . false 81 A 79 CYS middle . . 82 A 80 GLU middle . . 83 A 81 LEU middle . . 84 A 82 VAL middle . . 85 A 83 ASP middle . . 86 A 84 LEU middle . . 87 A 85 ALA middle . . 88 A 86 ASP middle . . 89 A 87 GLU middle . . 90 A 88 VAL middle . . 91 A 89 ALA middle . . 92 A 90 SER middle . . 93 A 91 VAL middle . . 94 A 92 TYR middle . . 95 A 93 GLN middle . . 96 A 94 SER middle . . 97 A 95 TYR middle . . 98 A 96 GLN middle . . 99 A 97 PRO middle . false 100 A 98 ARG middle . . 101 A 99 THR middle . . 102 A 100 SER end . . stop_ save_ save_assigned_chem_shift_list_solution_NMR _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_solution_NMR 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 GLY H1 H 1 8.618 0.020 A -1 GLY HA2 H 1 3.837 0.020 A -1 GLY HA3 H 1 3.837 0.020 A -1 GLY CA C 13 43.545 0.3 A 0 SER H H 1 8.631 0.020 A 0 SER HA H 1 4.531 0.020 A 0 SER HB2 H 1 3.861 0.020 A 0 SER HB3 H 1 3.861 0.020 A 0 SER C C 13 174.557 0.3 A 0 SER CA C 13 58.478 0.3 A 0 SER CB C 13 64.380 0.3 A 0 SER N N 15 115.693 0.3 A 1 MET H H 1 8.641 0.020 A 1 MET HA H 1 4.728 0.020 A 1 MET HB2 H 1 2.081 0.020 A 1 MET HB3 H 1 2.081 0.020 A 1 MET HGy H 1 2.711 0.020 A 1 MET HGx H 1 2.509 0.020 A 1 MET C C 13 174.846 0.3 A 1 MET CA C 13 55.655 0.3 A 1 MET CB C 13 32.035 0.3 A 1 MET CG C 13 32.292 0.3 A 1 MET N N 15 123.111 0.3 A 2 PRO HA H 1 4.477 0.020 A 2 PRO HBy H 1 2.369 0.020 A 2 PRO HBx H 1 1.937 0.020 A 2 PRO HDy H 1 3.856 0.020 A 2 PRO HDx H 1 3.753 0.020 A 2 PRO HGy H 1 2.080 0.020 A 2 PRO HGx H 1 1.999 0.020 A 2 PRO CB C 13 32.000 0.3 A 2 PRO CD C 13 50.733 0.3 A 2 PRO CG C 13 28.106 0.3 A 3 PHE H H 1 8.177 0.020 A 3 PHE HA H 1 4.366 0.020 A 3 PHE HBy H 1 3.214 0.020 A 3 PHE HBx H 1 3.101 0.020 A 3 PHE HD1 H 1 7.270 0.020 A 3 PHE HD2 H 1 7.270 0.020 A 3 PHE CA C 13 60.862 0.3 A 3 PHE CB C 13 39.368 0.3 A 3 PHE CD1 C 13 132.060 0.3 A 3 PHE CD2 C 13 132.060 0.3 A 3 PHE N N 15 121.126 0.3 A 4 ALA H H 1 8.444 0.020 A 4 ALA HA H 1 3.835 0.020 A 4 ALA HB% H 1 1.368 0.020 A 4 ALA C C 13 181.522 0.3 A 4 ALA CA C 13 55.454 0.3 A 4 ALA CB C 13 19.436 0.3 A 4 ALA N N 15 121.170 0.3 A 5 GLU H H 1 8.454 0.020 A 5 GLU HA H 1 3.855 0.020 A 5 GLU HBy H 1 2.433 0.020 A 5 GLU HBx H 1 2.413 0.020 A 5 GLU HGy H 1 2.797 0.020 A 5 GLU HGx H 1 1.950 0.020 A 5 GLU C C 13 177.971 0.3 A 5 GLU CA C 13 60.631 0.3 A 5 GLU CB C 13 28.761 0.3 A 5 GLU CG C 13 36.628 0.3 A 5 GLU N N 15 118.932 0.3 A 6 ASP H H 1 8.316 0.020 A 6 ASP HBy H 1 2.958 0.020 A 6 ASP HBx H 1 2.872 0.020 A 6 ASP C C 13 178.885 0.3 A 6 ASP CA C 13 57.072 0.3 A 6 ASP CB C 13 39.132 0.3 A 6 ASP N N 15 120.471 0.3 A 7 LYS H H 1 8.249 0.020 A 7 LYS HA H 1 3.690 0.020 A 7 LYS HBy H 1 1.091 0.020 A 7 LYS HBx H 1 0.736 0.020 A 7 LYS HDy H 1 1.131 0.020 A 7 LYS HDx H 1 1.109 0.020 A 7 LYS HEy H 1 2.621 0.020 A 7 LYS HEx H 1 2.525 0.020 A 7 LYS HGy H 1 0.724 0.020 A 7 LYS HGx H 1 0.532 0.020 A 7 LYS C C 13 180.080 0.3 A 7 LYS CA C 13 58.720 0.3 A 7 LYS CB C 13 31.794 0.3 A 7 LYS CD C 13 28.637 0.3 A 7 LYS CE C 13 42.438 0.3 A 7 LYS CG C 13 24.759 0.3 A 7 LYS N N 15 118.335 0.3 A 8 THR H H 1 7.897 0.020 A 8 THR HA H 1 3.975 0.020 A 8 THR HB H 1 4.305 0.020 A 8 THR HG2% H 1 1.115 0.020 A 8 THR CA C 13 68.453 0.3 A 8 THR CB C 13 67.387 0.3 A 8 THR CG2 C 13 21.649 0.3 A 8 THR N N 15 119.222 0.3 A 9 TYR H H 1 8.605 0.020 A 9 TYR HA H 1 4.253 0.020 A 9 TYR HBy H 1 3.401 0.020 A 9 TYR HBx H 1 3.294 0.020 A 9 TYR HD1 H 1 6.649 0.020 A 9 TYR HD2 H 1 6.649 0.020 A 9 TYR HE1 H 1 6.246 0.020 A 9 TYR HE2 H 1 6.246 0.020 A 9 TYR C C 13 177.441 0.3 A 9 TYR CA C 13 61.898 0.3 A 9 TYR CB C 13 37.849 0.3 A 9 TYR CD1 C 13 132.642 0.3 A 9 TYR CD2 C 13 132.642 0.3 A 9 TYR CE1 C 13 118.647 0.3 A 9 TYR CE2 C 13 118.647 0.3 A 9 TYR N N 15 123.054 0.3 A 10 LYS H H 1 8.066 0.020 A 10 LYS HA H 1 3.594 0.020 A 10 LYS HB2 H 1 1.789 0.020 A 10 LYS HB3 H 1 1.789 0.020 A 10 LYS HDy H 1 1.597 0.020 A 10 LYS HDx H 1 1.522 0.020 A 10 LYS HE2 H 1 2.937 0.020 A 10 LYS HE3 H 1 2.937 0.020 A 10 LYS HGy H 1 1.593 0.020 A 10 LYS HGx H 1 1.431 0.020 A 10 LYS C C 13 178.885 0.3 A 10 LYS CA C 13 60.044 0.3 A 10 LYS CB C 13 32.045 0.3 A 10 LYS CD C 13 29.179 0.3 A 10 LYS CE C 13 42.319 0.3 A 10 LYS CG C 13 25.820 0.3 A 10 LYS N N 15 118.366 0.3 A 11 TYR H H 1 7.875 0.020 A 11 TYR HA H 1 3.990 0.020 A 11 TYR HBy H 1 3.467 0.020 A 11 TYR HBx H 1 3.275 0.020 A 11 TYR HD1 H 1 7.039 0.020 A 11 TYR HD2 H 1 7.039 0.020 A 11 TYR HE1 H 1 6.751 0.020 A 11 TYR HE2 H 1 6.751 0.020 A 11 TYR C C 13 178.233 0.3 A 11 TYR CA C 13 62.528 0.3 A 11 TYR CB C 13 38.363 0.3 A 11 TYR CD1 C 13 133.466 0.3 A 11 TYR CD2 C 13 133.466 0.3 A 11 TYR CE1 C 13 118.683 0.3 A 11 TYR CE2 C 13 118.683 0.3 A 11 TYR N N 15 120.539 0.3 A 12 ILE H H 1 8.154 0.020 A 12 ILE HA H 1 3.096 0.020 A 12 ILE HB H 1 1.402 0.020 A 12 ILE HD1% H 1 -0.487 0.020 A 12 ILE HG1y H 1 1.641 0.020 A 12 ILE HG1x H 1 0.403 0.020 A 12 ILE HG2% H 1 0.388 0.020 A 12 ILE C C 13 177.015 0.3 A 12 ILE CA C 13 65.763 0.3 A 12 ILE CB C 13 37.552 0.3 A 12 ILE CD1 C 13 15.375 0.3 A 12 ILE CG1 C 13 28.484 0.3 A 12 ILE CG2 C 13 14.457 0.3 A 12 ILE N N 15 121.893 0.3 A 13 CYS H H 1 7.551 0.020 A 13 CYS HA H 1 3.887 0.020 A 13 CYS HBy H 1 2.687 0.020 A 13 CYS HBx H 1 2.606 0.020 A 13 CYS C C 13 178.288 0.3 A 13 CYS CA C 13 64.337 0.3 A 13 CYS CB C 13 27.005 0.3 A 13 CYS N N 15 113.894 0.3 A 14 ARG H H 1 7.991 0.020 A 14 ARG HA H 1 4.070 0.020 A 14 ARG HBy H 1 1.759 0.020 A 14 ARG HBx H 1 1.700 0.020 A 14 ARG HD2 H 1 3.124 0.020 A 14 ARG HD3 H 1 3.124 0.020 A 14 ARG HE H 1 7.224 0.020 A 14 ARG HGy H 1 1.622 0.020 A 14 ARG HGx H 1 1.546 0.020 A 14 ARG C C 13 177.127 0.3 A 14 ARG CA C 13 58.494 0.3 A 14 ARG CB C 13 30.422 0.3 A 14 ARG CD C 13 43.555 0.3 A 14 ARG CG C 13 27.481 0.3 A 14 ARG N N 15 119.228 0.3 A 14 ARG NE N 15 84.347 0.3 A 15 ASN H H 1 7.643 0.020 A 15 ASN HA H 1 4.969 0.020 A 15 ASN HBy H 1 2.811 0.020 A 15 ASN HBx H 1 2.042 0.020 A 15 ASN HD21 H 1 6.796 0.020 A 15 ASN HD22 H 1 6.165 0.020 A 15 ASN CA C 13 52.763 0.3 A 15 ASN CB C 13 38.585 0.3 A 15 ASN N N 15 117.367 0.3 A 15 ASN ND2 N 15 117.197 0.3 A 16 PHE H H 1 6.992 0.020 A 16 PHE HA H 1 4.216 0.020 A 16 PHE HBy H 1 3.568 0.020 A 16 PHE HBx H 1 2.892 0.020 A 16 PHE HD1 H 1 6.894 0.020 A 16 PHE HD2 H 1 6.894 0.020 A 16 PHE C C 13 178.084 0.3 A 16 PHE CA C 13 63.177 0.3 A 16 PHE CB C 13 40.589 0.3 A 16 PHE CD1 C 13 131.743 0.3 A 16 PHE CD2 C 13 131.743 0.3 A 16 PHE N N 15 122.356 0.3 A 17 SER H H 1 8.840 0.020 A 17 SER HA H 1 4.199 0.020 A 17 SER HB2 H 1 3.919 0.020 A 17 SER HB3 H 1 3.919 0.020 A 17 SER C C 13 176.726 0.3 A 17 SER CA C 13 62.052 0.3 A 17 SER CB C 13 62.552 0.3 A 17 SER N N 15 112.937 0.3 A 18 ASN H H 1 8.130 0.020 A 18 ASN HA H 1 4.358 0.020 A 18 ASN HBy H 1 2.655 0.020 A 18 ASN HBx H 1 2.380 0.020 A 18 ASN HD21 H 1 7.223 0.020 A 18 ASN HD22 H 1 6.969 0.020 A 18 ASN C C 13 175.967 0.3 A 18 ASN CA C 13 54.910 0.3 A 18 ASN CB C 13 37.828 0.3 A 18 ASN N N 15 118.809 0.3 A 18 ASN ND2 N 15 111.354 0.3 A 19 PHE H H 1 8.062 0.020 A 19 PHE HA H 1 4.285 0.020 A 19 PHE HBy H 1 3.408 0.020 A 19 PHE HBx H 1 2.702 0.020 A 19 PHE HD1 H 1 7.316 0.020 A 19 PHE HD2 H 1 7.316 0.020 A 19 PHE C C 13 175.370 0.3 A 19 PHE CA C 13 58.862 0.3 A 19 PHE CB C 13 39.878 0.3 A 19 PHE CD1 C 13 132.788 0.3 A 19 PHE CD2 C 13 132.788 0.3 A 19 PHE N N 15 115.750 0.3 A 20 CYS H H 1 6.850 0.020 A 20 CYS HA H 1 3.943 0.020 A 20 CYS HBy H 1 2.834 0.020 A 20 CYS HBx H 1 2.613 0.020 A 20 CYS C C 13 173.823 0.3 A 20 CYS CA C 13 61.788 0.3 A 20 CYS CB C 13 27.383 0.3 A 20 CYS N N 15 113.958 0.3 A 21 ASN H H 1 8.251 0.020 A 21 ASN HA H 1 4.744 0.020 A 21 ASN HBy H 1 2.808 0.020 A 21 ASN HBx H 1 2.511 0.020 A 21 ASN HD21 H 1 7.434 0.020 A 21 ASN HD22 H 1 6.710 0.020 A 21 ASN C C 13 175.299 0.3 A 21 ASN CA C 13 53.290 0.3 A 21 ASN CB C 13 38.313 0.3 A 21 ASN N N 15 116.691 0.3 A 21 ASN ND2 N 15 112.948 0.3 A 22 VAL H H 1 7.573 0.020 A 22 VAL HA H 1 3.550 0.020 A 22 VAL HB H 1 2.366 0.020 A 22 VAL HGx% H 1 1.055 0.020 A 22 VAL HGy% H 1 0.782 0.020 A 22 VAL C C 13 174.034 0.3 A 22 VAL CA C 13 63.937 0.3 A 22 VAL CB C 13 31.523 0.3 A 22 VAL CG1 C 13 23.615 0.3 A 22 VAL CG2 C 13 22.032 0.3 A 22 VAL N N 15 122.431 0.3 A 23 ASP H H 1 8.687 0.020 A 23 ASP HBy H 1 3.059 0.020 A 23 ASP HBx H 1 2.734 0.020 A 23 ASP CA C 13 52.186 0.3 A 23 ASP CB C 13 38.793 0.3 A 23 ASP N N 15 127.219 0.3 A 24 VAL H H 1 9.409 0.020 A 24 VAL HA H 1 3.293 0.020 A 24 VAL HB H 1 2.097 0.020 A 24 VAL HGx% H 1 0.856 0.020 A 24 VAL HGy% H 1 0.690 0.020 A 24 VAL C C 13 176.867 0.3 A 24 VAL CA C 13 67.163 0.3 A 24 VAL CB C 13 32.015 0.3 A 24 VAL CG1 C 13 23.958 0.3 A 24 VAL CG2 C 13 21.266 0.3 A 24 VAL N N 15 127.835 0.3 A 25 VAL H H 1 8.038 0.020 A 25 VAL HA H 1 3.519 0.020 A 25 VAL HB H 1 2.098 0.020 A 25 VAL HGx% H 1 1.005 0.020 A 25 VAL HGy% H 1 0.930 0.020 A 25 VAL C C 13 178.006 0.3 A 25 VAL CA C 13 66.688 0.3 A 25 VAL CB C 13 31.532 0.3 A 25 VAL CG1 C 13 22.244 0.3 A 25 VAL CG2 C 13 21.689 0.3 A 25 VAL N N 15 114.324 0.3 A 26 GLU H H 1 7.220 0.020 A 26 GLU HA H 1 4.091 0.020 A 26 GLU HBy H 1 2.257 0.020 A 26 GLU HBx H 1 2.031 0.020 A 26 GLU HG2 H 1 2.559 0.020 A 26 GLU HG3 H 1 2.559 0.020 A 26 GLU C C 13 177.303 0.3 A 26 GLU CA C 13 57.432 0.3 A 26 GLU CB C 13 28.965 0.3 A 26 GLU CG C 13 33.528 0.3 A 26 GLU N N 15 117.009 0.3 A 27 ILE H H 1 7.647 0.020 A 27 ILE HA H 1 4.361 0.020 A 27 ILE HB H 1 1.787 0.020 A 27 ILE HD1% H 1 0.797 0.020 A 27 ILE HG12 H 1 1.479 0.020 A 27 ILE HG13 H 1 1.479 0.020 A 27 ILE HG2% H 1 0.944 0.020 A 27 ILE CA C 13 62.732 0.3 A 27 ILE CB C 13 39.591 0.3 A 27 ILE CD1 C 13 14.193 0.3 A 27 ILE CG1 C 13 30.731 0.3 A 27 ILE CG2 C 13 17.065 0.3 A 27 ILE N N 15 114.080 0.3 A 28 LEU H H 1 7.434 0.020 A 28 LEU HA H 1 3.937 0.020 A 28 LEU HBy H 1 1.804 0.020 A 28 LEU HBx H 1 1.354 0.020 A 28 LEU HDx% H 1 0.753 0.020 A 28 LEU HDy% H 1 0.651 0.020 A 28 LEU HG H 1 2.123 0.020 A 28 LEU C C 13 175.756 0.3 A 28 LEU CA C 13 59.967 0.3 A 28 LEU CB C 13 39.513 0.3 A 28 LEU CD1 C 13 26.600 0.3 A 28 LEU CD2 C 13 23.948 0.3 A 28 LEU CG C 13 26.081 0.3 A 28 LEU N N 15 121.867 0.3 A 29 PRO HA H 1 4.210 0.020 A 29 PRO HBy H 1 2.084 0.020 A 29 PRO HBx H 1 1.125 0.020 A 29 PRO HDy H 1 3.461 0.020 A 29 PRO HDx H 1 3.411 0.020 A 29 PRO HGy H 1 1.750 0.020 A 29 PRO HGx H 1 1.696 0.020 A 29 PRO CB C 13 31.310 0.3 A 29 PRO CD C 13 51.015 0.3 A 29 PRO CG C 13 28.237 0.3 A 30 TYR H H 1 7.628 0.020 A 30 TYR HA H 1 4.502 0.020 A 30 TYR HBy H 1 3.459 0.020 A 30 TYR HBx H 1 2.969 0.020 A 30 TYR HD1 H 1 7.173 0.020 A 30 TYR HD2 H 1 7.173 0.020 A 30 TYR HE1 H 1 6.779 0.020 A 30 TYR HE2 H 1 6.779 0.020 A 30 TYR C C 13 174.386 0.3 A 30 TYR CA C 13 57.694 0.3 A 30 TYR CB C 13 39.099 0.3 A 30 TYR CD1 C 13 133.116 0.3 A 30 TYR CD2 C 13 133.116 0.3 A 30 TYR CE1 C 13 118.676 0.3 A 30 TYR CE2 C 13 118.676 0.3 A 30 TYR N N 15 113.832 0.3 A 31 LEU H H 1 7.619 0.020 A 31 LEU HA H 1 4.877 0.020 A 31 LEU HBy H 1 2.063 0.020 A 31 LEU HBx H 1 1.198 0.020 A 31 LEU HDx% H 1 0.940 0.020 A 31 LEU HDy% H 1 0.901 0.020 A 31 LEU HG H 1 1.753 0.020 A 31 LEU C C 13 173.849 0.3 A 31 LEU CA C 13 51.692 0.3 A 31 LEU CB C 13 42.802 0.3 A 31 LEU CD1 C 13 24.762 0.3 A 31 LEU CD2 C 13 28.548 0.3 A 31 LEU CG C 13 25.203 0.3 A 31 LEU N N 15 118.331 0.3 A 32 PRO HA H 1 4.355 0.020 A 32 PRO HBy H 1 2.116 0.020 A 32 PRO HBx H 1 1.826 0.020 A 32 PRO HDy H 1 3.417 0.020 A 32 PRO HDx H 1 3.397 0.020 A 32 PRO HGy H 1 1.929 0.020 A 32 PRO HGx H 1 1.426 0.020 A 32 PRO CB C 13 31.410 0.3 A 32 PRO CD C 13 51.208 0.3 A 32 PRO CG C 13 27.322 0.3 A 33 CYS H H 1 6.414 0.020 A 33 CYS HA H 1 4.341 0.020 A 33 CYS HBy H 1 3.116 0.020 A 33 CYS HBx H 1 2.111 0.020 A 33 CYS C C 13 174.139 0.3 A 33 CYS CA C 13 56.212 0.3 A 33 CYS CB C 13 28.922 0.3 A 33 CYS N N 15 110.978 0.3 A 34 LEU H H 1 7.550 0.020 A 34 LEU HA H 1 4.606 0.020 A 34 LEU HBy H 1 1.980 0.020 A 34 LEU HBx H 1 1.241 0.020 A 34 LEU HDx% H 1 0.718 0.020 A 34 LEU HDy% H 1 0.629 0.020 A 34 LEU HG H 1 1.560 0.020 A 34 LEU C C 13 176.646 0.3 A 34 LEU CA C 13 53.891 0.3 A 34 LEU CB C 13 42.691 0.3 A 34 LEU CD1 C 13 27.555 0.3 A 34 LEU CD2 C 13 23.343 0.3 A 34 LEU CG C 13 27.061 0.3 A 34 LEU N N 15 123.111 0.3 A 35 THR H H 1 8.586 0.020 A 35 THR HA H 1 4.205 0.020 A 35 THR HB H 1 4.632 0.020 A 35 THR HG2% H 1 1.261 0.020 A 35 THR C C 13 175.324 0.3 A 35 THR CA C 13 61.200 0.3 A 35 THR CB C 13 71.318 0.3 A 35 THR CG2 C 13 21.894 0.3 A 35 THR N N 15 113.831 0.3 A 36 ALA H H 1 8.836 0.020 A 36 ALA HA H 1 3.924 0.020 A 36 ALA HB% H 1 1.357 0.020 A 36 ALA C C 13 180.397 0.3 A 36 ALA CA C 13 55.920 0.3 A 36 ALA CB C 13 17.803 0.3 A 36 ALA N N 15 124.128 0.3 A 37 ARG H H 1 8.060 0.020 A 37 ARG HA H 1 3.986 0.020 A 37 ARG HBy H 1 1.753 0.020 A 37 ARG HBx H 1 1.655 0.020 A 37 ARG HD2 H 1 3.123 0.020 A 37 ARG HD3 H 1 3.123 0.020 A 37 ARG HE H 1 7.104 0.020 A 37 ARG HGy H 1 1.643 0.020 A 37 ARG HGx H 1 1.539 0.020 A 37 ARG C C 13 179.272 0.3 A 37 ARG CA C 13 59.232 0.3 A 37 ARG CB C 13 29.905 0.3 A 37 ARG CD C 13 43.504 0.3 A 37 ARG CG C 13 27.342 0.3 A 37 ARG N N 15 116.793 0.3 A 37 ARG NE N 15 84.501 0.3 A 38 ASP H H 1 7.782 0.020 A 38 ASP HA H 1 4.248 0.020 A 38 ASP HBy H 1 3.021 0.020 A 38 ASP HBx H 1 2.291 0.020 A 38 ASP C C 13 178.885 0.3 A 38 ASP CA C 13 57.187 0.3 A 38 ASP CB C 13 40.933 0.3 A 38 ASP N N 15 120.030 0.3 A 39 GLN H H 1 8.476 0.020 A 39 GLN HA H 1 3.665 0.020 A 39 GLN HB2 H 1 2.061 0.020 A 39 GLN HB3 H 1 2.061 0.020 A 39 GLN HE21 H 1 6.661 0.020 A 39 GLN HE22 H 1 6.600 0.020 A 39 GLN HGy H 1 2.471 0.020 A 39 GLN HGx H 1 1.838 0.020 A 39 GLN C C 13 178.041 0.3 A 39 GLN CA C 13 60.601 0.3 A 39 GLN CB C 13 27.797 0.3 A 39 GLN CG C 13 34.695 0.3 A 39 GLN N N 15 118.223 0.3 A 39 GLN NE2 N 15 110.765 0.3 A 40 ASP H H 1 8.386 0.020 A 40 ASP HA H 1 4.253 0.020 A 40 ASP HBy H 1 2.904 0.020 A 40 ASP HBx H 1 2.829 0.020 A 40 ASP C C 13 178.639 0.3 A 40 ASP CA C 13 56.400 0.3 A 40 ASP CB C 13 38.028 0.3 A 40 ASP N N 15 117.908 0.3 A 41 ARG H H 1 8.130 0.020 A 41 ARG HA H 1 4.042 0.020 A 41 ARG HB2 H 1 1.877 0.020 A 41 ARG HB3 H 1 1.877 0.020 A 41 ARG HD2 H 1 3.123 0.020 A 41 ARG HD3 H 1 3.123 0.020 A 41 ARG HE H 1 7.212 0.020 A 41 ARG HGy H 1 1.655 0.020 A 41 ARG HGx H 1 1.481 0.020 A 41 ARG C C 13 179.795 0.3 A 41 ARG CA C 13 59.445 0.3 A 41 ARG CB C 13 30.258 0.3 A 41 ARG CD C 13 43.462 0.3 A 41 ARG CG C 13 27.565 0.3 A 41 ARG N N 15 120.990 0.3 A 41 ARG NE N 15 84.815 0.3 A 42 LEU H H 1 8.179 0.020 A 42 LEU HA H 1 3.935 0.020 A 42 LEU HBy H 1 1.873 0.020 A 42 LEU HBx H 1 0.956 0.020 A 42 LEU HDx% H 1 0.680 0.020 A 42 LEU HDy% H 1 0.679 0.020 A 42 LEU HG H 1 1.790 0.020 A 42 LEU C C 13 178.850 0.3 A 42 LEU CA C 13 58.267 0.3 A 42 LEU CB C 13 42.033 0.3 A 42 LEU CD1 C 13 27.411 0.3 A 42 LEU CD2 C 13 23.593 0.3 A 42 LEU CG C 13 27.550 0.3 A 42 LEU N N 15 121.219 0.3 A 43 ARG H H 1 8.296 0.020 A 43 ARG HA H 1 3.724 0.020 A 43 ARG HB2 H 1 1.789 0.020 A 43 ARG HB3 H 1 1.789 0.020 A 43 ARG HDy H 1 3.219 0.020 A 43 ARG HDx H 1 3.102 0.020 A 43 ARG HE H 1 7.340 0.020 A 43 ARG HGy H 1 1.731 0.020 A 43 ARG HGx H 1 1.386 0.020 A 43 ARG C C 13 179.099 0.3 A 43 ARG CA C 13 60.814 0.3 A 43 ARG CB C 13 30.179 0.3 A 43 ARG CD C 13 43.316 0.3 A 43 ARG CG C 13 29.638 0.3 A 43 ARG N N 15 119.310 0.3 A 43 ARG NE N 15 84.166 0.3 A 44 ALA H H 1 7.774 0.020 A 44 ALA HA H 1 4.103 0.020 A 44 ALA HB% H 1 1.436 0.020 A 44 ALA C C 13 180.924 0.3 A 44 ALA CA C 13 55.225 0.3 A 44 ALA CB C 13 18.096 0.3 A 44 ALA N N 15 121.305 0.3 A 45 THR H H 1 8.167 0.020 A 45 THR HA H 1 3.879 0.020 A 45 THR HB H 1 4.200 0.020 A 45 THR HG2% H 1 1.099 0.020 A 45 THR CA C 13 66.327 0.3 A 45 THR CB C 13 68.809 0.3 A 45 THR CG2 C 13 21.499 0.3 A 45 THR N N 15 115.017 0.3 A 46 CYS H H 1 8.084 0.020 A 46 CYS HA H 1 4.019 0.020 A 46 CYS HBy H 1 3.068 0.020 A 46 CYS HBx H 1 2.834 0.020 A 46 CYS C C 13 178.077 0.3 A 46 CYS CA C 13 62.945 0.3 A 46 CYS CB C 13 26.139 0.3 A 46 CYS N N 15 123.609 0.3 A 47 THR H H 1 7.735 0.020 A 47 THR HA H 1 3.915 0.020 A 47 THR HB H 1 4.173 0.020 A 47 THR HG2% H 1 1.192 0.020 A 47 THR CA C 13 66.063 0.3 A 47 THR CB C 13 69.245 0.3 A 47 THR CG2 C 13 22.097 0.3 A 47 THR N N 15 115.520 0.3 A 48 LEU H H 1 7.464 0.020 A 48 LEU HA H 1 4.226 0.020 A 48 LEU HBy H 1 1.679 0.020 A 48 LEU HBx H 1 1.589 0.020 A 48 LEU HDx% H 1 0.803 0.020 A 48 LEU HDy% H 1 0.821 0.020 A 48 LEU HG H 1 1.590 0.020 A 48 LEU CA C 13 57.563 0.3 A 48 LEU CB C 13 43.625 0.3 A 48 LEU CD1 C 13 23.828 0.3 A 48 LEU CD2 C 13 24.539 0.3 A 48 LEU CG C 13 27.072 0.3 A 48 LEU N N 15 120.099 0.3 A 49 SER H H 1 8.781 0.020 A 49 SER HA H 1 4.661 0.020 A 49 SER HBy H 1 3.980 0.020 A 49 SER HBx H 1 3.731 0.020 A 49 SER C C 13 175.581 0.3 A 49 SER CA C 13 59.590 0.3 A 49 SER CB C 13 65.335 0.3 A 49 SER N N 15 111.979 0.3 A 50 GLY H H 1 7.955 0.020 A 50 GLY HAy H 1 4.505 0.020 A 50 GLY HAx H 1 4.041 0.020 A 50 GLY C C 13 175.123 0.3 A 50 GLY CA C 13 44.902 0.3 A 50 GLY N N 15 110.194 0.3 A 51 ASN H H 1 8.898 0.020 A 51 ASN HA H 1 4.250 0.020 A 51 ASN HBy H 1 2.804 0.020 A 51 ASN HBx H 1 2.640 0.020 A 51 ASN HD21 H 1 8.060 0.020 A 51 ASN HD22 H 1 7.876 0.020 A 51 ASN C C 13 176.403 0.3 A 51 ASN CA C 13 59.303 0.3 A 51 ASN CB C 13 41.599 0.3 A 51 ASN N N 15 121.050 0.3 A 51 ASN ND2 N 15 117.046 0.3 A 52 ARG H H 1 8.696 0.020 A 52 ARG HA H 1 4.038 0.020 A 52 ARG HBy H 1 2.069 0.020 A 52 ARG HBx H 1 1.843 0.020 A 52 ARG HD2 H 1 3.317 0.020 A 52 ARG HD3 H 1 3.317 0.020 A 52 ARG HE H 1 7.318 0.020 A 52 ARG HGy H 1 1.872 0.020 A 52 ARG HGx H 1 1.808 0.020 A 52 ARG C C 13 178.850 0.3 A 52 ARG CA C 13 61.064 0.3 A 52 ARG CB C 13 30.023 0.3 A 52 ARG CD C 13 43.766 0.3 A 52 ARG CG C 13 28.291 0.3 A 52 ARG N N 15 119.825 0.3 A 52 ARG NE N 15 84.966 0.3 A 53 ASP H H 1 9.036 0.020 A 53 ASP HA H 1 4.546 0.020 A 53 ASP HBy H 1 2.743 0.020 A 53 ASP HBx H 1 2.663 0.020 A 53 ASP C C 13 178.996 0.3 A 53 ASP CA C 13 56.079 0.3 A 53 ASP CB C 13 38.371 0.3 A 53 ASP N N 15 116.032 0.3 A 54 THR H H 1 7.782 0.020 A 54 THR HA H 1 3.746 0.020 A 54 THR HB H 1 4.156 0.020 A 54 THR HG2% H 1 1.215 0.020 A 54 THR CA C 13 67.885 0.3 A 54 THR CB C 13 66.953 0.3 A 54 THR CG2 C 13 23.891 0.3 A 54 THR N N 15 115.848 0.3 A 55 LEU H H 1 8.740 0.020 A 55 LEU HA H 1 3.554 0.020 A 55 LEU HBy H 1 1.952 0.020 A 55 LEU HBx H 1 1.493 0.020 A 55 LEU HDx% H 1 0.679 0.020 A 55 LEU HDy% H 1 0.742 0.020 A 55 LEU HG H 1 1.476 0.020 A 55 LEU C C 13 177.901 0.3 A 55 LEU CA C 13 58.453 0.3 A 55 LEU CB C 13 41.863 0.3 A 55 LEU CD1 C 13 24.996 0.3 A 55 LEU CD2 C 13 25.573 0.3 A 55 LEU CG C 13 26.634 0.3 A 55 LEU N N 15 125.987 0.3 A 56 TRP H H 1 7.642 0.020 A 56 TRP HA H 1 4.080 0.020 A 56 TRP HBy H 1 3.139 0.020 A 56 TRP HBx H 1 3.031 0.020 A 56 TRP HD1 H 1 6.739 0.020 A 56 TRP HE1 H 1 9.564 0.020 A 56 TRP HH2 H 1 6.928 0.020 A 56 TRP HZ2 H 1 7.005 0.020 A 56 TRP HZ3 H 1 6.706 0.020 A 56 TRP C C 13 179.588 0.3 A 56 TRP CA C 13 61.481 0.3 A 56 TRP CB C 13 29.192 0.3 A 56 TRP CD1 C 13 127.132 0.3 A 56 TRP CH2 C 13 124.491 0.3 A 56 TRP CZ2 C 13 115.354 0.3 A 56 TRP CZ3 C 13 121.607 0.3 A 56 TRP N N 15 116.672 0.3 A 56 TRP NE1 N 15 129.446 0.3 A 57 HIS H H 1 7.407 0.020 A 57 HIS HA H 1 4.276 0.020 A 57 HIS HB2 H 1 3.282 0.020 A 57 HIS HB3 H 1 3.282 0.020 A 57 HIS HD2 H 1 7.362 0.020 A 57 HIS C C 13 177.514 0.3 A 57 HIS CA C 13 58.952 0.3 A 57 HIS CB C 13 28.002 0.3 A 57 HIS CD2 C 13 120.490 0.3 A 57 HIS N N 15 115.754 0.3 A 58 LEU H H 1 8.996 0.020 A 58 LEU HA H 1 3.787 0.020 A 58 LEU HBy H 1 1.956 0.020 A 58 LEU HBx H 1 1.192 0.020 A 58 LEU HDx% H 1 0.683 0.020 A 58 LEU HDy% H 1 0.574 0.020 A 58 LEU HG H 1 1.134 0.020 A 58 LEU C C 13 178.115 0.3 A 58 LEU CA C 13 58.909 0.3 A 58 LEU CB C 13 40.815 0.3 A 58 LEU CD1 C 13 25.207 0.3 A 58 LEU CD2 C 13 25.881 0.3 A 58 LEU CG C 13 27.573 0.3 A 58 LEU N N 15 123.934 0.3 A 59 PHE H H 1 8.201 0.020 A 59 PHE HA H 1 3.935 0.020 A 59 PHE HBy H 1 2.901 0.020 A 59 PHE HBx H 1 2.811 0.020 A 59 PHE HD1 H 1 6.660 0.020 A 59 PHE HD2 H 1 6.660 0.020 A 59 PHE HE1 H 1 6.789 0.020 A 59 PHE HE2 H 1 6.789 0.020 A 59 PHE C C 13 176.987 0.3 A 59 PHE CA C 13 60.113 0.3 A 59 PHE CB C 13 36.960 0.3 A 59 PHE CD1 C 13 130.531 0.3 A 59 PHE CD2 C 13 130.531 0.3 A 59 PHE CE1 C 13 128.642 0.3 A 59 PHE CE2 C 13 128.642 0.3 A 59 PHE N N 15 117.721 0.3 A 60 ASN H H 1 7.666 0.020 A 60 ASN HA H 1 3.919 0.020 A 60 ASN HBy H 1 2.523 0.020 A 60 ASN HBx H 1 2.461 0.020 A 60 ASN HD21 H 1 7.220 0.020 A 60 ASN HD22 H 1 6.677 0.020 A 60 ASN C C 13 176.670 0.3 A 60 ASN CA C 13 56.756 0.3 A 60 ASN CB C 13 39.318 0.3 A 60 ASN N N 15 115.695 0.3 A 60 ASN ND2 N 15 111.618 0.3 A 61 THR H H 1 7.782 0.020 A 61 THR HA H 1 3.733 0.020 A 61 THR HB H 1 3.998 0.020 A 61 THR HG2% H 1 0.964 0.020 A 61 THR CA C 13 66.319 0.3 A 61 THR CB C 13 69.174 0.3 A 61 THR CG2 C 13 21.440 0.3 A 61 THR N N 15 115.110 0.3 A 62 LEU H H 1 8.362 0.020 A 62 LEU HA H 1 3.489 0.020 A 62 LEU HBy H 1 1.194 0.020 A 62 LEU HBx H 1 1.038 0.020 A 62 LEU HDx% H 1 0.718 0.020 A 62 LEU HDy% H 1 0.664 0.020 A 62 LEU HG H 1 1.517 0.020 A 62 LEU C C 13 176.600 0.3 A 62 LEU CA C 13 57.965 0.3 A 62 LEU CB C 13 42.335 0.3 A 62 LEU CD1 C 13 25.051 0.3 A 62 LEU CD2 C 13 25.667 0.3 A 62 LEU CG C 13 26.763 0.3 A 62 LEU N N 15 121.559 0.3 A 63 GLN H H 1 6.458 0.020 A 63 GLN HA H 1 2.077 0.020 A 63 GLN HBy H 1 1.526 0.020 A 63 GLN HBx H 1 0.417 0.020 A 63 GLN HE21 H 1 6.744 0.020 A 63 GLN HE22 H 1 6.108 0.020 A 63 GLN HGy H 1 1.531 0.020 A 63 GLN HGx H 1 0.681 0.020 A 63 GLN C C 13 175.194 0.3 A 63 GLN CA C 13 56.266 0.3 A 63 GLN CB C 13 25.694 0.3 A 63 GLN CG C 13 30.912 0.3 A 63 GLN N N 15 109.150 0.3 A 63 GLN NE2 N 15 109.699 0.3 A 64 ARG H H 1 6.596 0.020 A 64 ARG HA H 1 4.098 0.020 A 64 ARG HBy H 1 1.917 0.020 A 64 ARG HBx H 1 1.617 0.020 A 64 ARG HD2 H 1 3.064 0.020 A 64 ARG HD3 H 1 3.064 0.020 A 64 ARG HE H 1 6.885 0.020 A 64 ARG HGy H 1 1.562 0.020 A 64 ARG HGx H 1 1.408 0.020 A 64 ARG C C 13 176.459 0.3 A 64 ARG CA C 13 56.143 0.3 A 64 ARG CB C 13 30.584 0.3 A 64 ARG CD C 13 43.506 0.3 A 64 ARG CG C 13 27.707 0.3 A 64 ARG N N 15 116.029 0.3 A 64 ARG NE N 15 84.716 0.3 A 65 ARG H H 1 7.932 0.020 A 65 ARG HA H 1 4.834 0.020 A 65 ARG HBy H 1 2.080 0.020 A 65 ARG HBx H 1 1.796 0.020 A 65 ARG HD2 H 1 3.148 0.020 A 65 ARG HD3 H 1 3.148 0.020 A 65 ARG HE H 1 7.448 0.020 A 65 ARG HGy H 1 1.735 0.020 A 65 ARG HGx H 1 1.456 0.020 A 65 ARG C C 13 173.436 0.3 A 65 ARG CA C 13 51.545 0.3 A 65 ARG CB C 13 28.996 0.3 A 65 ARG CD C 13 42.355 0.3 A 65 ARG CG C 13 26.532 0.3 A 65 ARG N N 15 120.422 0.3 A 65 ARG NE N 15 84.291 0.3 A 66 PRO HA H 1 4.574 0.020 A 66 PRO HBy H 1 2.340 0.020 A 66 PRO HBx H 1 1.938 0.020 A 66 PRO HDy H 1 3.986 0.020 A 66 PRO HDx H 1 3.669 0.020 A 66 PRO HGy H 1 2.155 0.020 A 66 PRO HGx H 1 2.039 0.020 A 66 PRO CB C 13 32.059 0.3 A 66 PRO CD C 13 50.947 0.3 A 66 PRO CG C 13 27.942 0.3 A 67 GLY H H 1 9.198 0.020 A 67 GLY HAy H 1 4.032 0.020 A 67 GLY HAx H 1 3.754 0.020 A 67 GLY C C 13 177.057 0.3 A 67 GLY CA C 13 46.307 0.3 A 67 GLY N N 15 111.953 0.3 A 68 TRP H H 1 7.647 0.020 A 68 TRP HA H 1 4.342 0.020 A 68 TRP HBy H 1 3.706 0.020 A 68 TRP HBx H 1 3.074 0.020 A 68 TRP HD1 H 1 7.501 0.020 A 68 TRP HE1 H 1 10.261 0.020 A 68 TRP HE3 H 1 6.989 0.020 A 68 TRP HH2 H 1 6.577 0.020 A 68 TRP HZ2 H 1 7.586 0.020 A 68 TRP HZ3 H 1 6.323 0.020 A 68 TRP C C 13 177.690 0.3 A 68 TRP CA C 13 60.116 0.3 A 68 TRP CB C 13 29.190 0.3 A 68 TRP CD1 C 13 129.820 0.3 A 68 TRP CE3 C 13 120.456 0.3 A 68 TRP CH2 C 13 122.390 0.3 A 68 TRP CZ2 C 13 115.707 0.3 A 68 TRP CZ3 C 13 120.244 0.3 A 68 TRP N N 15 117.467 0.3 A 68 TRP NE1 N 15 130.192 0.3 A 69 VAL H H 1 6.666 0.020 A 69 VAL HA H 1 2.637 0.020 A 69 VAL HB H 1 0.694 0.020 A 69 VAL HGx% H 1 -0.143 0.020 A 69 VAL HGy% H 1 -0.849 0.020 A 69 VAL C C 13 177.993 0.3 A 69 VAL CA C 13 67.466 0.3 A 69 VAL CB C 13 30.026 0.3 A 69 VAL CG1 C 13 21.123 0.3 A 69 VAL CG2 C 13 20.884 0.3 A 69 VAL N N 15 121.482 0.3 A 70 GLU H H 1 7.410 0.020 A 70 GLU HA H 1 3.825 0.020 A 70 GLU HBy H 1 1.789 0.020 A 70 GLU HBx H 1 1.751 0.020 A 70 GLU HGy H 1 2.286 0.020 A 70 GLU HGx H 1 2.238 0.020 A 70 GLU C C 13 180.362 0.3 A 70 GLU CA C 13 59.221 0.3 A 70 GLU CB C 13 27.305 0.3 A 70 GLU CG C 13 33.209 0.3 A 70 GLU N N 15 116.350 0.3 A 71 TYR H H 1 7.159 0.020 A 71 TYR HA H 1 4.450 0.020 A 71 TYR HBy H 1 3.300 0.020 A 71 TYR HBx H 1 3.065 0.020 A 71 TYR HD1 H 1 7.269 0.020 A 71 TYR HD2 H 1 7.269 0.020 A 71 TYR HE1 H 1 6.844 0.020 A 71 TYR HE2 H 1 6.844 0.020 A 71 TYR C C 13 178.411 0.3 A 71 TYR CA C 13 61.602 0.3 A 71 TYR CB C 13 38.355 0.3 A 71 TYR CD1 C 13 133.261 0.3 A 71 TYR CD2 C 13 133.261 0.3 A 71 TYR CE1 C 13 119.002 0.3 A 71 TYR CE2 C 13 119.002 0.3 A 71 TYR N N 15 116.750 0.3 A 72 PHE H H 1 9.007 0.020 A 72 PHE HA H 1 4.502 0.020 A 72 PHE HBy H 1 3.491 0.020 A 72 PHE HBx H 1 3.350 0.020 A 72 PHE HD1 H 1 7.131 0.020 A 72 PHE HD2 H 1 7.131 0.020 A 72 PHE CA C 13 60.820 0.3 A 72 PHE CB C 13 40.049 0.3 A 72 PHE CD1 C 13 131.266 0.3 A 72 PHE CD2 C 13 131.266 0.3 A 72 PHE N N 15 121.610 0.3 A 73 ILE H H 1 8.644 0.020 A 73 ILE HA H 1 3.180 0.020 A 73 ILE HB H 1 1.617 0.020 A 73 ILE HD1% H 1 0.587 0.020 A 73 ILE HG1y H 1 1.745 0.020 A 73 ILE HG1x H 1 0.774 0.020 A 73 ILE HG2% H 1 0.823 0.020 A 73 ILE C C 13 177.620 0.3 A 73 ILE CA C 13 67.197 0.3 A 73 ILE CB C 13 39.023 0.3 A 73 ILE CD1 C 13 14.782 0.3 A 73 ILE CG1 C 13 30.405 0.3 A 73 ILE CG2 C 13 17.608 0.3 A 73 ILE N N 15 119.200 0.3 A 74 ALA H H 1 7.476 0.020 A 74 ALA HA H 1 3.954 0.020 A 74 ALA HB% H 1 1.549 0.020 A 74 ALA C C 13 181.030 0.3 A 74 ALA CA C 13 55.411 0.3 A 74 ALA CB C 13 18.136 0.3 A 74 ALA N N 15 119.624 0.3 A 75 ALA H H 1 8.524 0.020 A 75 ALA HA H 1 3.838 0.020 A 75 ALA HB% H 1 1.574 0.020 A 75 ALA C C 13 179.272 0.3 A 75 ALA CA C 13 55.102 0.3 A 75 ALA CB C 13 19.593 0.3 A 75 ALA N N 15 123.625 0.3 A 76 LEU H H 1 8.153 0.020 A 76 LEU HA H 1 3.672 0.020 A 76 LEU HBy H 1 1.774 0.020 A 76 LEU HBx H 1 1.285 0.020 A 76 LEU HDx% H 1 0.689 0.020 A 76 LEU HDy% H 1 0.213 0.020 A 76 LEU HG H 1 1.104 0.020 A 76 LEU C C 13 180.001 0.3 A 76 LEU CA C 13 58.256 0.3 A 76 LEU CB C 13 41.619 0.3 A 76 LEU CD1 C 13 23.393 0.3 A 76 LEU CD2 C 13 25.646 0.3 A 76 LEU CG C 13 26.103 0.3 A 76 LEU N N 15 118.114 0.3 A 77 ARG H H 1 7.945 0.020 A 77 ARG HA H 1 3.447 0.020 A 77 ARG HBy H 1 1.685 0.020 A 77 ARG HBx H 1 1.280 0.020 A 77 ARG HDy H 1 3.128 0.020 A 77 ARG HDx H 1 3.008 0.020 A 77 ARG HE H 1 7.067 0.020 A 77 ARG C C 13 180.889 0.3 A 77 ARG CA C 13 61.066 0.3 A 77 ARG CB C 13 29.197 0.3 A 77 ARG CD C 13 43.050 0.3 A 77 ARG N N 15 117.830 0.3 A 77 ARG NE N 15 84.170 0.3 A 78 GLY H H 1 8.269 0.020 A 78 GLY HAy H 1 3.674 0.020 A 78 GLY HAx H 1 3.191 0.020 A 78 GLY C C 13 174.807 0.3 A 78 GLY CA C 13 46.560 0.3 A 78 GLY N N 15 110.202 0.3 A 79 CYS H H 1 7.132 0.020 A 79 CYS HA H 1 4.389 0.020 A 79 CYS HBy H 1 2.963 0.020 A 79 CYS HBx H 1 2.687 0.020 A 79 CYS C C 13 173.025 0.3 A 79 CYS CA C 13 59.957 0.3 A 79 CYS CB C 13 27.805 0.3 A 79 CYS N N 15 115.567 0.3 A 80 GLU H H 1 7.772 0.020 A 80 GLU HA H 1 3.733 0.020 A 80 GLU HB2 H 1 2.329 0.020 A 80 GLU HB3 H 1 2.329 0.020 A 80 GLU HGy H 1 2.375 0.020 A 80 GLU HGx H 1 2.296 0.020 A 80 GLU C C 13 175.827 0.3 A 80 GLU CA C 13 57.467 0.3 A 80 GLU CB C 13 24.717 0.3 A 80 GLU CG C 13 33.172 0.3 A 80 GLU N N 15 111.759 0.3 A 81 LEU H H 1 8.167 0.020 A 81 LEU HA H 1 4.691 0.020 A 81 LEU HBy H 1 1.624 0.020 A 81 LEU HBx H 1 1.350 0.020 A 81 LEU HDx% H 1 0.844 0.020 A 81 LEU HDy% H 1 0.762 0.020 A 81 LEU HG H 1 1.465 0.020 A 81 LEU CA C 13 52.955 0.3 A 81 LEU CB C 13 39.391 0.3 A 81 LEU CD1 C 13 27.372 0.3 A 81 LEU CD2 C 13 22.969 0.3 A 81 LEU CG C 13 26.151 0.3 A 81 LEU N N 15 124.692 0.3 A 82 VAL H H 1 7.141 0.020 A 82 VAL HA H 1 3.177 0.020 A 82 VAL HB H 1 1.911 0.020 A 82 VAL HGx% H 1 0.871 0.020 A 82 VAL HGy% H 1 0.815 0.020 A 82 VAL CA C 13 66.710 0.3 A 82 VAL CB C 13 31.948 0.3 A 82 VAL CG1 C 13 22.187 0.3 A 82 VAL CG2 C 13 21.458 0.3 A 82 VAL N N 15 118.320 0.3 A 83 ASP H H 1 8.385 0.020 A 83 ASP HA H 1 4.332 0.020 A 83 ASP HB2 H 1 2.774 0.020 A 83 ASP HB3 H 1 2.774 0.020 A 83 ASP C C 13 178.674 0.3 A 83 ASP CA C 13 56.443 0.3 A 83 ASP CB C 13 36.829 0.3 A 83 ASP N N 15 118.733 0.3 A 84 LEU H H 1 7.770 0.020 A 84 LEU HA H 1 3.979 0.020 A 84 LEU HBy H 1 1.593 0.020 A 84 LEU HBx H 1 1.316 0.020 A 84 LEU HDx% H 1 0.586 0.020 A 84 LEU HDy% H 1 0.325 0.020 A 84 LEU HG H 1 1.447 0.020 A 84 LEU C C 13 178.796 0.3 A 84 LEU CA C 13 57.522 0.3 A 84 LEU CB C 13 42.495 0.3 A 84 LEU CD1 C 13 24.956 0.3 A 84 LEU CD2 C 13 22.629 0.3 A 84 LEU CG C 13 26.713 0.3 A 84 LEU N N 15 121.026 0.3 A 85 ALA H H 1 8.126 0.020 A 85 ALA HA H 1 3.661 0.020 A 85 ALA HB% H 1 1.328 0.020 A 85 ALA C C 13 179.322 0.3 A 85 ALA CA C 13 55.841 0.3 A 85 ALA CB C 13 18.927 0.3 A 85 ALA N N 15 121.525 0.3 A 86 ASP H H 1 8.410 0.020 A 86 ASP HA H 1 4.273 0.020 A 86 ASP HBy H 1 2.981 0.020 A 86 ASP HBx H 1 2.850 0.020 A 86 ASP C C 13 178.463 0.3 A 86 ASP CA C 13 55.711 0.3 A 86 ASP CB C 13 37.162 0.3 A 86 ASP N N 15 115.349 0.3 A 87 GLU H H 1 8.012 0.020 A 87 GLU HA H 1 4.036 0.020 A 87 GLU HBy H 1 2.310 0.020 A 87 GLU HBx H 1 2.265 0.020 A 87 GLU HGy H 1 2.579 0.020 A 87 GLU HGx H 1 2.332 0.020 A 87 GLU C C 13 178.508 0.3 A 87 GLU CA C 13 59.354 0.3 A 87 GLU CB C 13 28.273 0.3 A 87 GLU CG C 13 33.407 0.3 A 87 GLU N N 15 122.529 0.3 A 88 VAL H H 1 8.291 0.020 A 88 VAL HA H 1 3.330 0.020 A 88 VAL HB H 1 2.002 0.020 A 88 VAL HGx% H 1 1.251 0.020 A 88 VAL HGy% H 1 0.806 0.020 A 88 VAL C C 13 177.240 0.3 A 88 VAL CA C 13 67.249 0.3 A 88 VAL CB C 13 31.529 0.3 A 88 VAL CG1 C 13 24.295 0.3 A 88 VAL CG2 C 13 22.194 0.3 A 88 VAL N N 15 119.148 0.3 A 89 ALA H H 1 8.548 0.020 A 89 ALA HA H 1 3.915 0.020 A 89 ALA HB% H 1 1.426 0.020 A 89 ALA C C 13 180.186 0.3 A 89 ALA CA C 13 56.059 0.3 A 89 ALA CB C 13 18.235 0.3 A 89 ALA N N 15 120.709 0.3 A 90 SER H H 1 7.969 0.020 A 90 SER HA H 1 4.047 0.020 A 90 SER HB2 H 1 3.861 0.020 A 90 SER HB3 H 1 3.861 0.020 A 90 SER C C 13 177.564 0.3 A 90 SER CA C 13 61.771 0.3 A 90 SER CB C 13 62.907 0.3 A 90 SER N N 15 113.035 0.3 A 91 VAL H H 1 7.713 0.020 A 91 VAL HA H 1 3.347 0.020 A 91 VAL HB H 1 1.692 0.020 A 91 VAL HGx% H 1 0.575 0.020 A 91 VAL HGy% H 1 0.247 0.020 A 91 VAL C C 13 178.428 0.3 A 91 VAL CA C 13 66.129 0.3 A 91 VAL CB C 13 31.771 0.3 A 91 VAL CG1 C 13 21.010 0.3 A 91 VAL CG2 C 13 21.369 0.3 A 91 VAL N N 15 123.417 0.3 A 92 TYR H H 1 8.395 0.020 A 92 TYR HA H 1 4.191 0.020 A 92 TYR HBy H 1 3.032 0.020 A 92 TYR HBx H 1 2.778 0.020 A 92 TYR HD1 H 1 6.872 0.020 A 92 TYR HD2 H 1 6.872 0.020 A 92 TYR HE1 H 1 6.507 0.020 A 92 TYR HE2 H 1 6.507 0.020 A 92 TYR CA C 13 60.994 0.3 A 92 TYR CB C 13 38.985 0.3 A 92 TYR CD1 C 13 133.198 0.3 A 92 TYR CD2 C 13 133.198 0.3 A 92 TYR CE1 C 13 118.377 0.3 A 92 TYR CE2 C 13 118.377 0.3 A 92 TYR N N 15 121.458 0.3 A 93 GLN H H 1 8.167 0.020 A 93 GLN HA H 1 3.711 0.020 A 93 GLN HB2 H 1 2.009 0.020 A 93 GLN HB3 H 1 2.009 0.020 A 93 GLN HE21 H 1 7.312 0.020 A 93 GLN HE22 H 1 6.733 0.020 A 93 GLN HG2 H 1 2.341 0.020 A 93 GLN HG3 H 1 2.341 0.020 A 93 GLN CA C 13 58.094 0.3 A 93 GLN CB C 13 28.298 0.3 A 93 GLN CG C 13 34.164 0.3 A 93 GLN N N 15 115.549 0.3 A 93 GLN NE2 N 15 111.557 0.3 A 94 SER H H 1 7.642 0.020 A 94 SER HA H 1 4.096 0.020 A 94 SER HBy H 1 3.747 0.020 A 94 SER HBx H 1 3.673 0.020 A 94 SER CA C 13 60.971 0.3 A 94 SER CB C 13 62.635 0.3 A 94 SER N N 15 115.923 0.3 A 95 TYR H H 1 7.069 0.020 A 95 TYR HA H 1 4.759 0.020 A 95 TYR HBy H 1 3.300 0.020 A 95 TYR HBx H 1 2.603 0.020 A 95 TYR HD1 H 1 7.081 0.020 A 95 TYR HD2 H 1 7.081 0.020 A 95 TYR HE1 H 1 6.574 0.020 A 95 TYR HE2 H 1 6.574 0.020 A 95 TYR C C 13 175.334 0.3 A 95 TYR CA C 13 57.698 0.3 A 95 TYR CB C 13 39.319 0.3 A 95 TYR CD1 C 13 133.294 0.3 A 95 TYR CD2 C 13 133.294 0.3 A 95 TYR CE1 C 13 118.728 0.3 A 95 TYR CE2 C 13 118.728 0.3 A 95 TYR N N 15 119.565 0.3 A 96 GLN H H 1 7.409 0.020 A 96 GLN HA H 1 4.365 0.020 A 96 GLN HBy H 1 1.914 0.020 A 96 GLN HBx H 1 1.777 0.020 A 96 GLN HE21 H 1 6.153 0.020 A 96 GLN HE22 H 1 6.039 0.020 A 96 GLN HG2 H 1 2.098 0.020 A 96 GLN HG3 H 1 2.098 0.020 A 96 GLN C C 13 173.612 0.3 A 96 GLN CA C 13 54.336 0.3 A 96 GLN CB C 13 28.494 0.3 A 96 GLN CG C 13 33.589 0.3 A 96 GLN N N 15 119.872 0.3 A 96 GLN NE2 N 15 110.481 0.3 A 97 PRO HA H 1 4.318 0.020 A 97 PRO HBy H 1 2.143 0.020 A 97 PRO HBx H 1 1.802 0.020 A 97 PRO HDy H 1 3.660 0.020 A 97 PRO HDx H 1 3.540 0.020 A 97 PRO HGy H 1 1.923 0.020 A 97 PRO HGx H 1 1.816 0.020 A 97 PRO CA C 13 63.014 0.3 A 97 PRO CB C 13 32.098 0.3 A 97 PRO CD C 13 50.768 0.3 A 97 PRO CG C 13 27.544 0.3 A 98 ARG H H 1 8.423 0.020 A 98 ARG HA H 1 4.342 0.020 A 98 ARG HBy H 1 1.810 0.020 A 98 ARG HBx H 1 1.710 0.020 A 98 ARG HD2 H 1 3.122 0.020 A 98 ARG HD3 H 1 3.122 0.020 A 98 ARG HE H 1 7.071 0.020 A 98 ARG HG2 H 1 1.579 0.020 A 98 ARG HG3 H 1 1.579 0.020 A 98 ARG C C 13 176.848 0.3 A 98 ARG CA C 13 56.221 0.3 A 98 ARG CB C 13 31.087 0.3 A 98 ARG CD C 13 43.470 0.3 A 98 ARG CG C 13 27.308 0.3 A 98 ARG N N 15 121.759 0.3 A 98 ARG NE N 15 84.708 0.3 A 99 THR H H 1 8.179 0.020 A 99 THR HA H 1 4.323 0.020 A 99 THR HB H 1 4.176 0.020 A 99 THR HG2% H 1 1.135 0.020 A 99 THR C C 13 174.350 0.3 A 99 THR CA C 13 61.906 0.3 A 99 THR CB C 13 70.180 0.3 A 99 THR CG2 C 13 21.727 0.3 A 99 THR N N 15 115.292 0.3 A 100 SER H H 1 8.170 0.020 A 100 SER HA H 1 4.375 0.020 A 100 SER HBy H 1 3.859 0.020 A 100 SER HBx H 1 3.794 0.020 A 100 SER C C 13 177.022 0.3 A 100 SER CA C 13 58.509 0.3 A 100 SER CB C 13 64.332 0.3 A 100 SER N N 15 119.949 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 68 TRP HE1 A 69 VAL HGy% 1.0 1.8 5.58 2 2 A 68 TRP HE1 A 5 GLU HBx 1.0 1.8 3.82 3 3 A 24 VAL H A 25 VAL HGx% 1.0 1.8 5.13 4 4 A 24 VAL H A 23 ASP HA 1.0 1.8 3.20 5 5 A 24 VAL H A 25 VAL H 1.0 1.8 3.96 6 6 A 54 THR HB A 55 LEU H 1.0 1.8 4.55 7 7 A 55 LEU H A 57 HIS H 1.0 1.8 5.00 8 8 A 55 LEU H A 55 LEU HBx 1.0 1.8 4.06 9 9 A 55 LEU H A 53 ASP H 1.0 1.8 5.44 10 10 A 55 LEU H A 52 ARG HA 1.0 1.8 5.11 11 11 A 55 LEU H A 55 LEU HDy% 1.0 1.8 4.74 12 12 A 55 LEU H A 51 ASN HA 1.0 1.8 4.95 13 13 A 80 GLU H A 81 LEU H 1.0 1.8 3.55 14 14 A 81 LEU H A 82 VAL H 1.0 1.8 4.16 15 15 A 81 LEU H A 80 GLU HB2 1.0 1.8 4.65 16 15 A 81 LEU H A 80 GLU HB3 1.0 1.8 4.65 17 16 A 81 LEU H A 81 LEU HDx% 1.0 1.8 4.54 18 17 A 81 LEU H A 80 GLU HA 1.0 1.8 3.98 19 18 A 81 LEU H A 77 ARG HA 1.0 1.8 4.40 20 19 A 58 LEU H A 59 PHE HBy 1.0 1.8 5.75 21 20 A 35 THR HA A 36 ALA H 1.0 1.8 3.27 22 21 A 36 ALA H A 35 THR HB 1.0 1.8 3.46 23 22 A 36 ALA H A 35 THR HG2% 1.0 1.8 4.55 24 23 A 58 LEU H A 58 LEU HDy% 1.0 1.8 5.07 25 24 A 57 HIS H A 58 LEU H 1.0 1.8 3.70 26 25 A 58 LEU H A 58 LEU HBy 1.0 1.8 3.69 27 26 A 58 LEU H A 58 LEU HBx 1.0 1.8 3.67 28 27 A 75 ALA H A 76 LEU HBy 1.0 1.8 5.98 29 28 A 75 ALA H A 77 ARG H 1.0 1.8 4.98 30 29 A 75 ALA H A 72 PHE HA 1.0 1.8 5.09 31 30 A 45 THR H A 46 CYS H 1.0 1.8 3.50 32 31 A 46 CYS H A 45 THR HB 1.0 1.8 4.63 33 32 A 75 ALA H A 31 LEU HDx% 1.0 1.8 5.54 34 33 A 46 CYS H A 44 ALA HB% 1.0 1.8 5.61 35 34 A 90 SER H A 91 VAL H 1.0 1.8 3.78 36 35 A 34 LEU H A 35 THR H 1.0 1.8 5.38 37 36 A 0 SER HA A 1 MET H 1.0 1.8 3.47 38 37 A 1 MET H A 2 PRO HDy 1.0 1.8 3.80 39 38 A 1 MET H A 2 PRO HDx 1.0 1.8 4.40 40 39 A 1 MET H A 1 MET HB2 1.0 1.8 3.85 41 39 A 1 MET H A 1 MET HB3 1.0 1.8 3.85 42 40 A 9 TYR H A 9 TYR HD% 1.0 1.8 4.70 43 41 A 34 LEU H A 33 CYS H 1.0 1.8 3.61 44 42 A 34 LEU H A 33 CYS HBx 1.0 1.8 4.55 45 43 A 34 LEU H A 34 LEU HBx 1.0 1.8 4.22 46 44 A 34 LEU H A 34 LEU HDy% 1.0 1.8 5.01 47 45 A 34 LEU H A 39 GLN HGx 1.0 1.8 4.95 48 46 A 1 MET H A 2 PRO HBx 1.0 1.8 5.38 49 47 A 9 TYR H A 10 LYS H 1.0 1.8 3.93 50 48 A 9 TYR H A 8 THR HG2% 1.0 1.8 4.97 51 49 A 9 TYR H A 9 TYR HBy 1.0 1.8 3.83 52 50 A 9 TYR H A 9 TYR HBx 1.0 1.8 3.71 53 51 A 87 GLU H A 87 GLU HBx 1.0 1.8 3.50 54 52 A 87 GLU H A 88 VAL H 1.0 1.8 3.63 55 53 A 22 VAL H A 22 VAL HGy% 1.0 1.8 5.06 56 54 A 14 ARG HA A 16 PHE H 1.0 1.8 5.00 57 55 A 11 TYR HD% A 12 ILE H 1.0 1.8 4.90 58 56 A 12 ILE H A 10 LYS HA 1.0 1.8 5.42 59 57 A 12 ILE H A 12 ILE HG2% 1.0 1.8 4.34 60 58 A 12 ILE H A 9 TYR HA 1.0 1.8 4.91 61 59 A 27 ILE H A 28 LEU H 1.0 1.8 3.62 62 60 A 28 LEU H A 27 ILE HG12 1.0 1.8 4.95 63 60 A 28 LEU H A 27 ILE HG13 1.0 1.8 4.95 64 61 A 28 LEU H A 28 LEU HBx 1.0 1.8 4.13 65 62 A 28 LEU H A 28 LEU HDy% 1.0 1.8 4.73 66 63 A 97 PRO HBy A 98 ARG H 1.0 1.8 4.84 67 64 A 12 ILE H A 12 ILE HD1% 1.0 1.8 4.76 68 65 A 28 LEU H A 27 ILE HG2% 1.0 1.8 4.22 69 66 A 98 ARG H A 97 PRO HGy 1.0 1.8 5.12 70 67 A 71 TYR H A 72 PHE H 1.0 1.8 3.63 71 68 A 91 VAL HB A 92 TYR H 1.0 1.8 3.63 72 69 A 62 LEU H A 63 GLN H 1.0 1.8 3.98 73 70 A 62 LEU H A 62 LEU HDy% 1.0 1.8 5.14 74 71 A 72 PHE H A 72 PHE HBx 1.0 1.8 3.65 75 72 A 31 LEU HDx% A 72 PHE H 1.0 1.8 5.21 76 73 A 62 LEU H A 61 THR HB 1.0 1.8 3.96 77 74 A 62 LEU H A 62 LEU HBx 1.0 1.8 4.42 78 75 A 84 LEU HBy A 85 ALA H 1.0 1.8 3.98 79 76 A 85 ALA H A 76 LEU HDy% 1.0 1.8 5.13 80 77 A 85 ALA H A 84 LEU H 1.0 1.8 3.69 81 78 A 92 TYR H A 92 TYR HBy 1.0 1.8 3.61 82 79 A 91 VAL H A 92 TYR H 1.0 1.8 3.77 83 80 A 85 ALA H A 82 VAL HGx% 1.0 1.8 5.41 84 81 A 5 GLU HGx A 69 VAL H 1.0 1.8 5.04 85 82 A 69 VAL HGy% A 69 VAL H 1.0 1.8 4.01 86 83 A 43 ARG H A 44 ALA H 1.0 1.8 3.53 87 84 A 44 ALA H A 43 ARG HB2 1.0 1.8 3.80 88 84 A 44 ALA H A 43 ARG HB3 1.0 1.8 3.80 89 85 A 45 THR H A 44 ALA H 1.0 1.8 3.51 90 86 A 45 THR HB A 44 ALA H 1.0 1.8 5.69 91 87 A 3 PHE HBx A 4 ALA H 1.0 1.8 4.05 92 88 A 42 LEU H A 42 LEU HBy 1.0 1.8 3.16 93 89 A 42 LEU H A 42 LEU HG 1.0 1.8 3.53 94 90 A 2 PRO HA A 3 PHE H 1.0 1.8 3.58 95 91 A 3 PHE H A 2 PRO HBy 1.0 1.8 4.88 96 92 A 51 ASN H A 51 ASN HBy 1.0 1.8 3.69 97 93 A 4 ALA H A 3 PHE H 1.0 1.8 3.70 98 94 A 3 PHE H A 3 PHE HD% 1.0 1.8 4.85 99 95 A 3 PHE H A 2 PRO HGy 1.0 1.8 5.36 100 96 A 40 ASP H A 41 ARG H 1.0 1.8 3.71 101 97 A 41 ARG H A 40 ASP HA 1.0 1.8 4.07 102 98 A 84 LEU HBy A 84 LEU H 1.0 1.8 3.67 103 99 A 84 LEU H A 84 LEU HDx% 1.0 1.8 5.55 104 100 A 51 ASN H A 50 GLY HAx 1.0 1.8 3.55 105 101 A 51 ASN H A 52 ARG HBx 1.0 1.8 4.97 106 102 A 41 ARG H A 40 ASP HBy 1.0 1.8 3.88 107 103 A 41 ARG H A 41 ARG HB2 1.0 1.8 3.20 108 103 A 41 ARG H A 41 ARG HB3 1.0 1.8 3.20 109 104 A 73 ILE HD1% A 89 ALA H 1.0 1.8 4.96 110 105 A 90 SER H A 89 ALA H 1.0 1.8 3.60 111 106 A 89 ALA H A 88 VAL HGx% 1.0 1.8 4.28 112 107 A 89 ALA H A 86 ASP HA 1.0 1.8 4.65 113 108 A 89 ALA H A 88 VAL HB 1.0 1.8 3.73 114 109 A 5 GLU H A 6 ASP H 1.0 1.8 3.53 115 110 A 6 ASP H A 3 PHE HA 1.0 1.8 4.51 116 111 A 6 ASP H A 5 GLU HBy 1.0 1.8 4.03 117 112 A 12 ILE H A 11 TYR H 1.0 1.8 3.77 118 113 A 10 LYS H A 11 TYR H 1.0 1.8 3.81 119 114 A 11 TYR H A 10 LYS HB2 1.0 1.8 3.84 120 114 A 11 TYR H A 10 LYS HB3 1.0 1.8 3.84 121 115 A 11 TYR H A 11 TYR HBy 1.0 1.8 3.69 122 116 A 6 ASP H A 4 ALA HB% 1.0 1.8 5.59 123 117 A 6 ASP H A 6 ASP HBy 1.0 1.8 3.67 124 118 A 6 ASP H A 7 LYS H 1.0 1.8 3.67 125 119 A 64 ARG H A 65 ARG H 1.0 1.8 3.60 126 120 A 65 ARG H A 65 ARG HBy 1.0 1.8 3.74 127 121 A 11 TYR H A 91 VAL HGx% 1.0 1.8 5.55 128 122 A 11 TYR H A 10 LYS HGy 1.0 1.8 6.33 129 123 A 37 ARG HGx A 38 ASP H 1.0 1.8 5.22 130 124 A 40 ASP H A 38 ASP H 1.0 1.8 4.86 131 125 A 35 THR H A 38 ASP H 1.0 1.8 4.99 132 126 A 38 ASP H A 37 ARG HD2 1.0 1.8 5.08 133 126 A 38 ASP H A 37 ARG HD3 1.0 1.8 5.08 134 127 A 38 ASP H A 37 ARG HBx 1.0 1.8 4.13 135 128 A 35 THR HB A 38 ASP H 1.0 1.8 4.51 136 129 A 47 THR HG2% A 48 LEU H 1.0 1.8 4.93 137 130 A 99 THR HA A 100 SER H 1.0 1.8 4.11 138 131 A 96 GLN H A 97 PRO HDy 1.0 1.8 4.61 139 132 A 53 ASP H A 52 ARG H 1.0 1.8 3.82 140 133 A 52 ARG H A 52 ARG HBy 1.0 1.8 3.50 141 134 A 52 ARG HBx A 52 ARG H 1.0 1.8 3.51 142 135 A 38 ASP H A 38 ASP HBx 1.0 1.8 4.52 143 136 A 4 ALA HB% A 96 GLN H 1.0 1.8 5.50 144 137 A 96 GLN H A 96 GLN HBy 1.0 1.8 4.42 145 138 A 51 ASN H A 52 ARG H 1.0 1.8 3.99 146 139 A 73 ILE H A 74 ALA H 1.0 1.8 3.80 147 140 A 75 ALA H A 74 ALA H 1.0 1.8 3.53 148 141 A 74 ALA H A 71 TYR HA 1.0 1.8 4.75 149 142 A 95 TYR H A 95 TYR HBy 1.0 1.8 4.55 150 143 A 4 ALA HB% A 95 TYR H 1.0 1.8 5.45 151 144 A 95 TYR H A 95 TYR HBx 1.0 1.8 3.91 152 145 A 95 TYR H A 93 GLN H 1.0 1.8 4.72 153 146 A 88 VAL H A 76 LEU HDy% 1.0 1.8 5.57 154 147 A 14 ARG H A 14 ARG HD2 1.0 1.8 5.18 155 147 A 14 ARG H A 14 ARG HD3 1.0 1.8 5.18 156 148 A 73 ILE HD1% A 73 ILE H 1.0 1.8 4.58 157 149 A 43 ARG H A 42 LEU H 1.0 1.8 3.46 158 150 A 43 ARG H A 43 ARG HGx 1.0 1.8 4.81 159 151 A 7 LYS H A 8 THR H 1.0 1.8 3.96 160 152 A 8 THR H A 7 LYS HBy 1.0 1.8 4.12 161 153 A 72 PHE HBx A 73 ILE H 1.0 1.8 4.34 162 154 A 73 ILE H A 73 ILE HG2% 1.0 1.8 4.34 163 155 A 72 PHE H A 73 ILE H 1.0 1.8 3.90 164 156 A 73 ILE H A 73 ILE HG1y 1.0 1.8 3.59 165 157 A 88 VAL H A 89 ALA H 1.0 1.8 3.61 166 158 A 88 VAL H A 87 GLU HGy 1.0 1.8 5.26 167 159 A 14 ARG H A 13 CYS H 1.0 1.8 4.00 168 160 A 14 ARG H A 14 ARG HBy 1.0 1.8 3.70 169 161 A 9 TYR H A 8 THR H 1.0 1.8 3.83 170 162 A 8 THR H A 8 THR HB 1.0 1.8 4.16 171 163 A 8 THR H A 7 LYS HBx 1.0 1.8 4.49 172 164 A 5 GLU H A 92 TYR HE% 1.0 1.8 5.05 173 165 A 88 VAL H A 73 ILE HD1% 1.0 1.8 5.47 174 166 A 5 GLU HGx A 5 GLU H 1.0 1.8 4.49 175 167 A 5 GLU H A 4 ALA HB% 1.0 1.8 4.30 176 168 A 81 LEU HBx A 83 ASP H 1.0 1.8 5.14 177 169 A 18 ASN H A 18 ASN HD21 1.0 1.8 5.01 178 170 A 18 ASN H A 19 PHE HD% 1.0 1.8 5.05 179 171 A 18 ASN H A 17 SER HB2 1.0 1.8 4.85 180 171 A 18 ASN H A 17 SER HB3 1.0 1.8 4.85 181 172 A 18 ASN H A 18 ASN HBy 1.0 1.8 3.57 182 173 A 84 LEU H A 83 ASP H 1.0 1.8 3.58 183 174 A 82 VAL H A 83 ASP H 1.0 1.8 3.58 184 175 A 83 ASP H A 82 VAL HB 1.0 1.8 3.76 185 176 A 82 VAL HGx% A 83 ASP H 1.0 1.8 4.51 186 177 A 83 ASP H A 81 LEU HA 1.0 1.8 4.52 187 178 A 7 LYS H A 6 ASP HBx 1.0 1.8 4.32 188 179 A 82 VAL H A 81 LEU HBx 1.0 1.8 4.98 189 180 A 5 GLU H A 7 LYS H 1.0 1.8 4.66 190 181 A 6 ASP HBy A 7 LYS H 1.0 1.8 4.20 191 182 A 7 LYS H A 7 LYS HBy 1.0 1.8 3.67 192 183 A 7 LYS H A 7 LYS HGy 1.0 1.8 3.81 193 184 A 10 LYS H A 7 LYS HA 1.0 1.8 4.42 194 185 A 10 LYS H A 10 LYS HGy 1.0 1.8 3.99 195 186 A 10 LYS H A 9 TYR HBx 1.0 1.8 4.19 196 187 A 82 VAL H A 81 LEU HA 1.0 1.8 3.42 197 188 A 36 ALA HB% A 39 GLN H 1.0 1.8 5.58 198 189 A 39 GLN H A 38 ASP HBy 1.0 1.8 3.85 199 190 A 76 LEU H A 77 ARG HBy 1.0 1.8 5.39 200 191 A 30 TYR HBy A 31 LEU H 1.0 1.8 5.13 201 192 A 31 LEU HDx% A 31 LEU H 1.0 1.8 5.84 202 193 A 31 LEU H A 28 LEU HA 1.0 1.8 4.95 203 194 A 31 LEU H A 31 LEU HBy 1.0 1.8 3.85 204 195 A 39 GLN HGx A 39 GLN H 1.0 1.8 4.32 205 196 A 34 LEU HBx A 39 GLN H 1.0 1.8 4.80 206 197 A 40 ASP H A 39 GLN H 1.0 1.8 3.43 207 198 A 38 ASP H A 39 GLN H 1.0 1.8 3.74 208 199 A 39 GLN H A 36 ALA HA 1.0 1.8 4.42 209 200 A 39 GLN H A 39 GLN HB2 1.0 1.8 3.57 210 200 A 39 GLN H A 39 GLN HB3 1.0 1.8 3.57 211 201 A 7 LYS H A 4 ALA HA 1.0 1.8 4.86 212 202 A 73 ILE HG2% A 76 LEU H 1.0 1.8 5.64 213 203 A 76 LEU H A 73 ILE HA 1.0 1.8 4.61 214 204 A 76 LEU H A 76 LEU HBx 1.0 1.8 4.09 215 205 A 31 LEU H A 29 PRO HA 1.0 1.8 4.47 216 206 A 76 LEU H A 76 LEU HDx% 1.0 1.8 4.82 217 207 A 75 ALA H A 76 LEU H 1.0 1.8 3.68 218 208 A 76 LEU H A 76 LEU HG 1.0 1.8 3.76 219 209 A 40 ASP H A 37 ARG HA 1.0 1.8 5.00 220 210 A 40 ASP H A 40 ASP HBy 1.0 1.8 3.45 221 211 A 40 ASP H A 39 GLN HB2 1.0 1.8 3.62 222 211 A 40 ASP H A 39 GLN HB3 1.0 1.8 3.62 223 212 A 28 LEU HDy% A 40 ASP H 1.0 1.8 5.26 224 213 A 77 ARG H A 76 LEU H 1.0 1.8 3.75 225 214 A 77 ARG H A 73 ILE HG2% 1.0 1.8 4.80 226 215 A 59 PHE H A 60 ASN H 1.0 1.8 3.93 227 216 A 77 ARG H A 78 GLY H 1.0 1.8 3.80 228 217 A 58 LEU H A 59 PHE H 1.0 1.8 3.84 229 218 A 59 PHE H A 59 PHE HD% 1.0 1.8 4.66 230 219 A 59 PHE HBy A 59 PHE H 1.0 1.8 3.69 231 220 A 58 LEU HBy A 59 PHE H 1.0 1.8 3.73 232 221 A 58 LEU HBx A 59 PHE H 1.0 1.8 4.12 233 222 A 59 PHE H A 58 LEU HDx% 1.0 1.8 4.86 234 223 A 69 VAL H A 68 TRP H 1.0 1.8 4.05 235 224 A 68 TRP H A 67 GLY H 1.0 1.8 3.68 236 225 A 68 TRP H A 68 TRP HBy 1.0 1.8 3.90 237 226 A 68 TRP H A 68 TRP HBx 1.0 1.8 4.40 238 227 A 15 ASN H A 15 ASN HD22 1.0 1.8 4.50 239 228 A 15 ASN H A 14 ARG HGx 1.0 1.8 5.15 240 229 A 14 ARG H A 15 ASN H 1.0 1.8 3.70 241 230 A 16 PHE H A 15 ASN H 1.0 1.8 3.81 242 231 A 15 ASN H A 15 ASN HD21 1.0 1.8 5.13 243 232 A 15 ASN H A 14 ARG HBx 1.0 1.8 4.50 244 233 A 24 VAL HGy% A 51 ASN HD21 1.0 1.8 5.62 245 234 A 14 ARG HBy A 15 ASN HD21 1.0 1.8 5.12 246 235 A 24 VAL H A 51 ASN HD21 1.0 1.8 5.04 247 236 A 23 ASP HA A 51 ASN HD21 1.0 1.8 4.37 248 237 A 51 ASN HD21 A 24 VAL HGx% 1.0 1.8 5.53 249 238 A 25 VAL HGx% A 26 GLU H 1.0 1.8 4.80 250 239 A 16 PHE H A 15 ASN HD22 1.0 1.8 5.29 251 240 A 51 ASN HD21 A 23 ASP H 1.0 1.8 5.11 252 241 A 38 ASP H A 37 ARG H 1.0 1.8 3.74 253 242 A 37 ARG HGx A 37 ARG H 1.0 1.8 5.03 254 243 A 36 ALA H A 37 ARG H 1.0 1.8 3.83 255 244 A 35 THR HB A 37 ARG H 1.0 1.8 3.96 256 245 A 37 ARG H A 37 ARG HBy 1.0 1.8 3.59 257 246 A 37 ARG HBx A 37 ARG H 1.0 1.8 3.59 258 247 A 56 TRP H A 57 HIS HB2 1.0 1.8 5.32 259 247 A 56 TRP H A 57 HIS HB3 1.0 1.8 5.32 260 248 A 71 TYR H A 70 GLU H 1.0 1.8 3.76 261 249 A 71 TYR H A 70 GLU HBx 1.0 1.8 4.13 262 250 A 22 VAL H A 21 ASN H 1.0 1.8 3.45 263 251 A 21 ASN H A 20 CYS H 1.0 1.8 3.98 264 252 A 58 LEU H A 56 TRP H 1.0 1.8 4.99 265 253 A 55 LEU H A 56 TRP H 1.0 1.8 4.05 266 254 A 56 TRP H A 54 THR H 1.0 1.8 4.74 267 255 A 56 TRP H A 55 LEU HBy 1.0 1.8 4.37 268 256 A 55 LEU HBx A 56 TRP H 1.0 1.8 4.82 269 257 A 71 TYR H A 68 TRP HA 1.0 1.8 4.83 270 258 A 69 VAL H A 70 GLU H 1.0 1.8 3.85 271 259 A 70 GLU H A 70 GLU HBx 1.0 1.8 3.54 272 260 A 70 GLU H A 69 VAL HGx% 1.0 1.8 5.05 273 261 A 69 VAL HGy% A 70 GLU H 1.0 1.8 5.58 274 262 A 53 ASP H A 52 ARG HBx 1.0 1.8 3.67 275 263 A 53 ASP H A 52 ARG HD2 1.0 1.8 5.13 276 263 A 53 ASP H A 52 ARG HD3 1.0 1.8 5.13 277 264 A 94 SER H A 93 GLN HB2 1.0 1.8 4.21 278 264 A 93 GLN HB3 A 94 SER H 1.0 1.8 4.21 279 265 A 95 TYR H A 94 SER H 1.0 1.8 3.96 280 266 A 55 LEU H A 54 THR H 1.0 1.8 3.70 281 267 A 54 THR HB A 54 THR H 1.0 1.8 3.96 282 268 A 54 THR H A 53 ASP HBy 1.0 1.8 4.36 283 269 A 53 ASP H A 54 THR H 1.0 1.8 3.91 284 270 A 93 GLN H A 94 SER H 1.0 1.8 3.63 285 271 A 20 CYS H A 19 PHE H 1.0 1.8 3.39 286 272 A 19 PHE H A 19 PHE HBx 1.0 1.8 3.73 287 273 A 60 ASN H A 9 TYR HE% 1.0 1.8 5.05 288 274 A 59 PHE HBy A 60 ASN H 1.0 1.8 4.62 289 275 A 57 HIS H A 54 THR HA 1.0 1.8 4.96 290 276 A 57 HIS H A 56 TRP H 1.0 1.8 4.01 291 277 A 99 THR H A 99 THR HG2% 1.0 1.8 5.13 292 278 A 93 GLN H A 92 TYR HD% 1.0 1.8 4.69 293 279 A 92 TYR HBy A 93 GLN H 1.0 1.8 4.80 294 280 A 93 GLN H A 92 TYR HBx 1.0 1.8 3.98 295 281 A 93 GLN H A 93 GLN HG2 1.0 1.8 4.31 296 281 A 93 GLN H A 93 GLN HG3 1.0 1.8 4.31 297 282 A 93 GLN H A 93 GLN HB2 1.0 1.8 3.44 298 282 A 93 GLN H A 93 GLN HB3 1.0 1.8 3.44 299 283 A 93 GLN H A 90 SER HA 1.0 1.8 4.99 300 284 A 93 GLN H A 90 SER HB2 1.0 1.8 5.74 301 284 A 93 GLN H A 90 SER HB3 1.0 1.8 5.74 302 285 A 19 PHE H A 20 CYS HBy 1.0 1.8 5.52 303 286 A 46 CYS H A 47 THR H 1.0 1.8 3.70 304 287 A 48 LEU H A 47 THR H 1.0 1.8 3.66 305 288 A 47 THR H A 47 THR HB 1.0 1.8 3.50 306 289 A 92 TYR H A 93 GLN H 1.0 1.8 3.66 307 290 A 77 ARG H A 79 CYS H 1.0 1.8 4.93 308 291 A 85 ALA H A 86 ASP H 1.0 1.8 3.63 309 292 A 87 GLU H A 86 ASP H 1.0 1.8 3.66 310 293 A 86 ASP H A 86 ASP HBy 1.0 1.8 3.61 311 294 A 99 THR H A 98 ARG HA 1.0 1.8 3.27 312 295 A 99 THR H A 98 ARG HBy 1.0 1.8 4.59 313 296 A 60 ASN HBx A 61 THR H 1.0 1.8 4.14 314 297 A 45 THR H A 45 THR HB 1.0 1.8 3.65 315 298 A 45 THR H A 45 THR HG2% 1.0 1.8 4.75 316 299 A 63 GLN H A 61 THR H 1.0 1.8 4.98 317 300 A 62 LEU H A 61 THR H 1.0 1.8 3.52 318 301 A 61 THR HB A 61 THR H 1.0 1.8 3.82 319 302 A 61 THR H A 62 LEU HBy 1.0 1.8 5.35 320 303 A 25 VAL H A 27 ILE HD1% 1.0 1.8 5.23 321 304 A 25 VAL H A 24 VAL HB 1.0 1.8 3.19 322 305 A 25 VAL H A 26 GLU H 1.0 1.8 3.61 323 306 A 25 VAL H A 25 VAL HGy% 1.0 1.8 4.32 324 307 A 25 VAL H A 27 ILE H 1.0 1.8 4.70 325 308 A 27 ILE H A 27 ILE HD1% 1.0 1.8 4.89 326 309 A 27 ILE H A 26 GLU HBy 1.0 1.8 4.14 327 310 A 20 CYS H A 19 PHE HBx 1.0 1.8 5.03 328 311 A 27 ILE H A 26 GLU H 1.0 1.8 3.46 329 312 A 27 ILE H A 27 ILE HG12 1.0 1.8 4.14 330 312 A 27 ILE H A 27 ILE HG13 1.0 1.8 4.14 331 313 A 35 THR H A 65 ARG HE 1.0 1.8 5.08 332 314 A 12 ILE H A 13 CYS H 1.0 1.8 3.96 333 315 A 13 CYS H A 12 ILE HB 1.0 1.8 4.06 334 316 A 13 CYS H A 12 ILE HG1y 1.0 1.8 5.22 335 317 A 35 THR H A 34 LEU HDy% 1.0 1.8 4.74 336 318 A 35 THR H A 34 LEU HA 1.0 1.8 3.36 337 319 A 35 THR H A 34 LEU HBx 1.0 1.8 3.42 338 320 A 29 PRO HDy A 30 TYR H 1.0 1.8 4.22 339 321 A 9 TYR HA A 13 CYS H 1.0 1.8 5.07 340 322 A 10 LYS HA A 13 CYS H 1.0 1.8 4.93 341 323 A 13 CYS H A 13 CYS HBy 1.0 1.8 3.83 342 324 A 16 PHE H A 17 SER H 1.0 1.8 4.13 343 325 A 90 SER H A 90 SER HB2 1.0 1.8 3.38 344 325 A 90 SER H A 90 SER HB3 1.0 1.8 3.38 345 326 A 18 ASN H A 17 SER H 1.0 1.8 3.81 346 327 A 17 SER H A 17 SER HB2 1.0 1.8 3.53 347 327 A 17 SER HB3 A 17 SER H 1.0 1.8 3.53 348 328 A 17 SER H A 16 PHE HBy 1.0 1.8 4.72 349 329 A 17 SER H A 16 PHE HBx 1.0 1.8 4.06 350 330 A 90 SER H A 86 ASP HA 1.0 1.8 5.08 351 331 A 90 SER H A 88 VAL HB 1.0 1.8 5.46 352 332 A 21 ASN HA A 21 ASN HD21 1.0 1.8 3.92 353 333 A 21 ASN HA A 21 ASN HD22 1.0 1.8 4.26 354 334 A 69 VAL H A 67 GLY H 1.0 1.8 5.51 355 335 A 67 GLY H A 66 PRO HBy 1.0 1.8 4.50 356 336 A 67 GLY H A 66 PRO HA 1.0 1.8 3.28 357 337 A 67 GLY H A 66 PRO HGx 1.0 1.8 5.51 358 338 A 47 THR H A 49 SER H 1.0 1.8 4.90 359 339 A 49 SER H A 48 LEU HBy 1.0 1.8 4.05 360 340 A 48 LEU H A 49 SER H 1.0 1.8 3.60 361 341 A 80 GLU H A 79 CYS H 1.0 1.8 3.75 362 342 A 80 GLU H A 80 GLU HA 1.0 1.8 3.17 363 343 A 80 GLU H A 80 GLU HB2 1.0 1.8 3.77 364 343 A 80 GLU H A 80 GLU HB3 1.0 1.8 3.77 365 344 A 80 GLU H A 77 ARG HA 1.0 1.8 5.07 366 345 A 60 ASN HA A 60 ASN HD21 1.0 1.8 5.15 367 346 A 18 ASN HD21 A 18 ASN HBy 1.0 1.8 4.40 368 347 A 15 ASN HBy A 18 ASN HD22 1.0 1.8 5.26 369 348 A 34 LEU HBy A 39 GLN HE21 1.0 1.8 5.29 370 349 A 39 GLN HE21 A 39 GLN HB2 1.0 1.8 5.30 371 349 A 39 GLN HB3 A 39 GLN HE21 1.0 1.8 5.30 372 350 A 34 LEU HBy A 39 GLN HE22 1.0 1.8 4.93 373 351 A 51 ASN H A 50 GLY H 1.0 1.8 4.39 374 352 A 78 GLY H A 75 ALA HA 1.0 1.8 4.42 375 353 A 78 GLY H A 79 CYS H 1.0 1.8 3.80 376 354 A 78 GLY H A 74 ALA HA 1.0 1.8 5.12 377 355 A 49 SER H A 50 GLY H 1.0 1.8 3.34 378 356 A 48 LEU H A 50 GLY H 1.0 1.8 5.68 379 357 A 9 TYR HD% A 63 GLN HE22 1.0 1.8 5.27 380 358 A 63 GLN HGy A 63 GLN HE21 1.0 1.8 4.50 381 359 A 9 TYR HD% A 63 GLN HE21 1.0 1.8 5.28 382 360 A 60 ASN HA A 63 GLN HE21 1.0 1.8 4.86 383 361 A 9 TYR HE% A 63 GLN HE22 1.0 1.8 5.11 384 362 A 63 GLN H A 64 ARG H 1.0 1.8 4.40 385 363 A 63 GLN H A 60 ASN HA 1.0 1.8 5.03 386 364 A 77 ARG HBx A 77 ARG HE 1.0 1.8 5.22 387 365 A 35 THR HB A 38 ASP HBy 1.0 1.8 3.50 388 366 A 99 THR HA A 99 THR HB 1.0 1.8 3.34 389 367 A 69 VAL HA A 72 PHE HBy 1.0 1.8 4.34 390 368 A 72 PHE HBx A 69 VAL HA 1.0 1.8 4.03 391 369 A 72 PHE H A 69 VAL HA 1.0 1.8 4.44 392 370 A 27 ILE HD1% A 24 VAL HA 1.0 1.8 3.82 393 371 A 69 VAL HGx% A 69 VAL HA 1.0 1.8 3.83 394 372 A 69 VAL HGy% A 69 VAL HA 1.0 1.8 3.99 395 373 A 91 VAL HB A 88 VAL HA 1.0 1.8 3.93 396 374 A 58 LEU HDy% A 24 VAL HA 1.0 1.8 4.61 397 375 A 73 ILE HG1y A 73 ILE HA 1.0 1.8 3.83 398 376 A 88 VAL HA A 91 VAL HGy% 1.0 1.8 4.15 399 377 A 73 ILE HA A 85 ALA HA 1.0 1.8 4.19 400 378 A 77 ARG HA A 82 VAL HA 1.0 1.8 4.47 401 379 A 82 VAL HGx% A 82 VAL HA 1.0 1.8 3.37 402 380 A 73 ILE HD1% A 73 ILE HA 1.0 1.8 4.81 403 381 A 25 VAL HA A 25 VAL HB 1.0 1.8 3.45 404 382 A 85 ALA H A 82 VAL HA 1.0 1.8 3.99 405 383 A 25 VAL HA A 28 LEU HBy 1.0 1.8 4.47 406 384 A 83 ASP H A 82 VAL HA 1.0 1.8 4.06 407 385 A 47 THR HB A 47 THR HA 1.0 1.8 3.38 408 386 A 15 ASN H A 12 ILE HA 1.0 1.8 4.50 409 387 A 11 TYR HD% A 12 ILE HA 1.0 1.8 4.42 410 388 A 12 ILE HG1y A 12 ILE HA 1.0 1.8 4.51 411 389 A 12 ILE HD1% A 12 ILE HA 1.0 1.8 3.90 412 390 A 12 ILE HA A 15 ASN HBx 1.0 1.8 4.53 413 391 A 12 ILE HG2% A 12 ILE HA 1.0 1.8 3.96 414 392 A 49 SER H A 49 SER HBy 1.0 1.8 4.49 415 393 A 49 SER H A 49 SER HBx 1.0 1.8 3.80 416 394 A 50 GLY H A 49 SER HBx 1.0 1.8 4.58 417 395 A 0 SER H A 0 SER HB2 1.0 1.8 3.67 418 395 A 0 SER H A 0 SER HB3 1.0 1.8 3.67 419 396 A 23 ASP H A 22 VAL HA 1.0 1.8 2.97 420 397 A 98 ARG H A 97 PRO HA 1.0 1.8 3.88 421 398 A 91 VAL H A 90 SER HB2 1.0 1.8 4.08 422 398 A 91 VAL H A 90 SER HB3 1.0 1.8 4.08 423 399 A 90 SER HA A 90 SER HB2 1.0 1.8 3.20 424 399 A 90 SER HA A 90 SER HB3 1.0 1.8 3.20 425 400 A 94 SER H A 94 SER HBy 1.0 1.8 3.98 426 401 A 94 SER H A 94 SER HBx 1.0 1.8 3.98 427 402 A 17 SER HA A 17 SER HB2 1.0 1.8 3.24 428 402 A 17 SER HB3 A 17 SER HA 1.0 1.8 3.24 429 403 A 75 ALA H A 71 TYR HA 1.0 1.8 4.90 430 404 A 52 ARG HA A 52 ARG HGx 1.0 1.8 4.57 431 405 A 77 ARG HA A 77 ARG HBy 1.0 1.8 3.38 432 406 A 46 CYS H A 43 ARG HA 1.0 1.8 4.42 433 407 A 43 ARG HA A 46 CYS HBy 1.0 1.8 4.17 434 408 A 5 GLU HGx A 5 GLU HA 1.0 1.8 4.08 435 409 A 69 VAL HGy% A 5 GLU HA 1.0 1.8 4.53 436 410 A 5 GLU HA A 5 GLU HGy 1.0 1.8 4.51 437 411 A 39 GLN HGx A 39 GLN HA 1.0 1.8 3.76 438 412 A 28 LEU HDy% A 39 GLN HA 1.0 1.8 4.15 439 413 A 10 LYS HA A 13 CYS HBy 1.0 1.8 4.24 440 414 A 10 LYS HA A 10 LYS HGx 1.0 1.8 4.07 441 415 A 87 GLU HGy A 87 GLU HA 1.0 1.8 4.52 442 416 A 70 GLU HA A 73 ILE HB 1.0 1.8 4.21 443 417 A 73 ILE HD1% A 70 GLU HA 1.0 1.8 4.23 444 418 A 73 ILE H A 70 GLU HA 1.0 1.8 4.20 445 419 A 58 LEU HDx% A 58 LEU HA 1.0 1.8 3.48 446 420 A 58 LEU HDy% A 58 LEU HA 1.0 1.8 4.69 447 421 A 7 LYS HA A 7 LYS HGx 1.0 1.8 4.40 448 422 A 7 LYS HA A 10 LYS HB2 1.0 1.8 3.83 449 422 A 10 LYS HB3 A 7 LYS HA 1.0 1.8 3.83 450 423 A 7 LYS HGy A 7 LYS HA 1.0 1.8 3.65 451 424 A 76 LEU HA A 81 LEU HBy 1.0 1.8 4.40 452 425 A 55 LEU HA A 55 LEU HG 1.0 1.8 3.94 453 426 A 58 LEU HBx A 55 LEU HA 1.0 1.8 4.07 454 427 A 24 VAL HGy% A 55 LEU HA 1.0 1.8 3.76 455 428 A 58 LEU H A 55 LEU HA 1.0 1.8 4.19 456 429 A 55 LEU HBy A 55 LEU HA 1.0 1.8 3.43 457 430 A 45 THR HB A 42 LEU HA 1.0 1.8 4.12 458 431 A 4 ALA HB% A 95 TYR HA 1.0 1.8 3.30 459 432 A 27 ILE HD1% A 76 LEU HA 1.0 1.8 4.77 460 433 A 62 LEU HA A 62 LEU HG 1.0 1.8 4.52 461 434 A 96 GLN H A 95 TYR HA 1.0 1.8 3.17 462 435 A 87 GLU HBx A 84 LEU HA 1.0 1.8 4.45 463 436 A 80 GLU HA A 80 GLU HB2 1.0 1.8 3.24 464 436 A 80 GLU HB3 A 80 GLU HA 1.0 1.8 3.24 465 437 A 86 ASP HBy A 83 ASP HA 1.0 1.8 4.46 466 438 A 52 ARG HGy A 53 ASP HA 1.0 1.8 4.34 467 439 A 73 ILE HD1% A 89 ALA HA 1.0 1.8 4.03 468 440 A 92 TYR HBx A 89 ALA HA 1.0 1.8 4.35 469 441 A 68 TRP HE1 A 63 GLN HA 1.0 1.8 4.03 470 442 A 65 ARG H A 63 GLN HA 1.0 1.8 4.37 471 443 A 63 GLN HA A 63 GLN HBy 1.0 1.8 3.44 472 444 A 36 ALA HA A 39 GLN HB2 1.0 1.8 4.54 473 444 A 36 ALA HA A 39 GLN HB3 1.0 1.8 4.54 474 445 A 92 TYR H A 89 ALA HA 1.0 1.8 4.45 475 446 A 76 LEU HBy A 85 ALA HA 1.0 1.8 4.35 476 447 A 73 ILE HG2% A 85 ALA HA 1.0 1.8 4.59 477 448 A 88 VAL HB A 85 ALA HA 1.0 1.8 4.45 478 449 A 7 LYS HBy A 4 ALA HA 1.0 1.8 4.43 479 450 A 77 ARG HBy A 74 ALA HA 1.0 1.8 4.06 480 451 A 75 ALA HA A 27 ILE HG12 1.0 1.8 4.52 481 451 A 27 ILE HG13 A 75 ALA HA 1.0 1.8 4.52 482 452 A 34 LEU HA A 34 LEU HDx% 1.0 1.8 3.50 483 453 A 31 LEU HA A 71 TYR HBy 1.0 1.8 4.38 484 454 A 65 ARG HA A 66 PRO HDx 1.0 1.8 3.36 485 455 A 31 LEU H A 32 PRO HDy 1.0 1.8 4.00 486 455 A 31 LEU H A 32 PRO HDx 1.0 1.8 4.00 487 456 A 31 LEU HA A 32 PRO HDy 1.0 1.8 3.48 488 456 A 31 LEU HA A 32 PRO HDx 1.0 1.8 3.48 489 457 A 65 ARG HA A 66 PRO HDy 1.0 1.8 3.74 490 458 A 28 LEU H A 29 PRO HDy 1.0 1.8 3.86 491 459 A 29 PRO HDy A 28 LEU HBy 1.0 1.8 3.51 492 460 A 2 PRO HDy A 1 MET HA 1.0 1.8 3.74 493 461 A 2 PRO HDx A 1 MET HA 1.0 1.8 3.69 494 462 A 97 PRO HDy A 96 GLN HA 1.0 1.8 3.42 495 463 A 96 GLN HA A 97 PRO HDx 1.0 1.8 3.43 496 464 A 96 GLN H A 97 PRO HDx 1.0 1.8 4.51 497 465 A 78 GLY H A 78 GLY HAx 1.0 1.8 3.38 498 466 A 79 CYS H A 78 GLY HAx 1.0 1.8 4.01 499 467 A 52 ARG HBy A 52 ARG HD2 1.0 1.8 3.68 500 467 A 52 ARG HBy A 52 ARG HD3 1.0 1.8 3.68 501 468 A 52 ARG HBx A 52 ARG HD2 1.0 1.8 3.19 502 468 A 52 ARG HBx A 52 ARG HD3 1.0 1.8 3.19 503 469 A 48 LEU H A 48 LEU HBy 1.0 1.8 3.67 504 470 A 48 LEU HBy A 48 LEU HDx% 1.0 1.8 3.80 505 470 A 48 LEU HBy A 48 LEU HDy% 1.0 1.8 3.80 506 471 A 49 SER H A 48 LEU HBx 1.0 1.8 3.81 507 472 A 48 LEU HBx A 45 THR HA 1.0 1.8 4.01 508 473 A 48 LEU HBx A 48 LEU HDx% 1.0 1.8 3.71 509 473 A 48 LEU HDy% A 48 LEU HBx 1.0 1.8 3.71 510 474 A 14 ARG HE A 14 ARG HD2 1.0 1.8 3.31 511 474 A 14 ARG HD3 A 14 ARG HE 1.0 1.8 3.31 512 475 A 37 ARG HA A 37 ARG HD2 1.0 1.8 4.52 513 475 A 37 ARG HD3 A 37 ARG HA 1.0 1.8 4.52 514 476 A 14 ARG HBy A 14 ARG HD2 1.0 1.8 3.22 515 476 A 14 ARG HD3 A 14 ARG HBy 1.0 1.8 3.22 516 477 A 41 ARG HB2 A 41 ARG HD2 1.0 1.8 3.62 517 477 A 41 ARG HB3 A 41 ARG HD2 1.0 1.8 3.62 518 477 A 41 ARG HD3 A 41 ARG HB2 1.0 1.8 3.62 519 477 A 41 ARG HB3 A 41 ARG HD3 1.0 1.8 3.62 520 478 A 37 ARG HGx A 37 ARG HD2 1.0 1.8 3.07 521 478 A 37 ARG HGx A 37 ARG HD3 1.0 1.8 3.07 522 479 A 48 LEU HBy A 45 THR HA 1.0 1.8 4.52 523 480 A 45 THR HG2% A 48 LEU HBy 1.0 1.8 4.78 524 481 A 47 THR HG2% A 48 LEU HBy 1.0 1.8 5.90 525 482 A 43 ARG HDy A 43 ARG HB2 1.0 1.8 3.59 526 482 A 43 ARG HB3 A 43 ARG HDy 1.0 1.8 3.59 527 483 A 82 VAL HGx% A 77 ARG HDy 1.0 1.8 4.73 528 484 A 43 ARG HA A 43 ARG HDx 1.0 1.8 4.59 529 485 A 77 ARG HBy A 77 ARG HDx 1.0 1.8 3.44 530 486 A 77 ARG HBx A 77 ARG HDx 1.0 1.8 3.86 531 487 A 34 LEU HDy% A 34 LEU HBy 1.0 1.8 4.30 532 488 A 31 LEU H A 31 LEU HBx 1.0 1.8 4.23 533 489 A 65 ARG HBy A 65 ARG HD2 1.0 1.8 4.28 534 489 A 65 ARG HBy A 65 ARG HD3 1.0 1.8 4.28 535 490 A 7 LYS HGy A 7 LYS HEy 1.0 1.8 4.55 536 491 A 7 LYS HGx A 7 LYS HEy 1.0 1.8 4.44 537 492 A 35 THR H A 34 LEU HBy 1.0 1.8 4.32 538 493 A 34 LEU HBy A 34 LEU HDx% 1.0 1.8 3.99 539 494 A 34 LEU H A 34 LEU HBy 1.0 1.8 3.66 540 495 A 84 LEU HBy A 84 LEU HG 1.0 1.8 3.43 541 496 A 84 LEU HBy A 84 LEU HDy% 1.0 1.8 4.72 542 497 A 84 LEU H A 84 LEU HBx 1.0 1.8 4.03 543 498 A 84 LEU HDx% A 84 LEU HBx 1.0 1.8 4.12 544 499 A 34 LEU HBx A 38 ASP HBx 1.0 1.8 4.58 545 500 A 63 GLN H A 62 LEU HBx 1.0 1.8 4.45 546 501 A 35 THR H A 65 ARG HD2 1.0 1.8 4.67 547 501 A 35 THR H A 65 ARG HD3 1.0 1.8 4.67 548 502 A 65 ARG HA A 65 ARG HD2 1.0 1.8 3.63 549 502 A 65 ARG HA A 65 ARG HD3 1.0 1.8 3.63 550 503 A 85 ALA H A 84 LEU HBx 1.0 1.8 4.00 551 504 A 62 LEU H A 62 LEU HBy 1.0 1.8 3.63 552 505 A 63 GLN H A 62 LEU HBy 1.0 1.8 4.21 553 506 A 62 LEU HDy% A 62 LEU HBx 1.0 1.8 4.11 554 507 A 43 ARG H A 42 LEU HBy 1.0 1.8 3.94 555 508 A 42 LEU HBy A 42 LEU HDx% 1.0 1.8 3.67 556 509 A 42 LEU HBx A 42 LEU HDy% 1.0 1.8 3.54 557 510 A 43 ARG H A 42 LEU HBx 1.0 1.8 4.46 558 511 A 55 LEU H A 55 LEU HBy 1.0 1.8 3.59 559 512 A 55 LEU HBy A 55 LEU HDx% 1.0 1.8 3.97 560 513 A 76 LEU HBy A 77 ARG H 1.0 1.8 4.22 561 514 A 55 LEU HBx A 55 LEU HDx% 1.0 1.8 3.99 562 515 A 42 LEU H A 42 LEU HBx 1.0 1.8 3.86 563 516 A 51 ASN HBy A 52 ARG H 1.0 1.8 3.73 564 517 A 51 ASN HBy A 51 ASN HD21 1.0 1.8 4.27 565 518 A 51 ASN HBy A 51 ASN HD22 1.0 1.8 3.77 566 519 A 51 ASN H A 51 ASN HBx 1.0 1.8 3.45 567 520 A 52 ARG H A 51 ASN HBx 1.0 1.8 3.82 568 521 A 51 ASN HD21 A 51 ASN HBx 1.0 1.8 4.69 569 522 A 51 ASN HD22 A 51 ASN HBx 1.0 1.8 3.93 570 523 A 76 LEU HBy A 76 LEU H 1.0 1.8 3.73 571 524 A 76 LEU HBy A 73 ILE HG2% 1.0 1.8 4.93 572 525 A 76 LEU HBy A 76 LEU HDx% 1.0 1.8 4.57 573 526 A 34 LEU HBx A 38 ASP HBy 1.0 1.8 3.92 574 527 A 38 ASP HBx A 39 GLN H 1.0 1.8 4.09 575 528 A 35 THR H A 38 ASP HBx 1.0 1.8 4.32 576 529 A 35 THR H A 38 ASP HBy 1.0 1.8 3.92 577 530 A 38 ASP H A 38 ASP HBy 1.0 1.8 3.73 578 531 A 58 LEU HBy A 55 LEU HA 1.0 1.8 3.89 579 532 A 58 LEU HBx A 58 LEU HDx% 1.0 1.8 3.91 580 533 A 16 PHE H A 16 PHE HBy 1.0 1.8 3.57 581 534 A 16 PHE H A 16 PHE HBx 1.0 1.8 3.48 582 535 A 58 LEU HDy% A 58 LEU HBx 1.0 1.8 4.40 583 536 A 72 PHE H A 72 PHE HBy 1.0 1.8 3.63 584 537 A 73 ILE H A 72 PHE HBy 1.0 1.8 4.51 585 538 A 19 PHE H A 19 PHE HBy 1.0 1.8 4.14 586 539 A 61 THR H A 60 ASN HBy 1.0 1.8 4.28 587 540 A 28 LEU H A 28 LEU HBy 1.0 1.8 3.63 588 541 A 27 ILE H A 27 ILE HB 1.0 1.8 3.48 589 542 A 27 ILE HD1% A 27 ILE HB 1.0 1.8 3.73 590 543 A 28 LEU HBx A 28 LEU HDx% 1.0 1.8 3.75 591 544 A 81 LEU H A 81 LEU HBx 1.0 1.8 4.22 592 545 A 28 LEU HBx A 29 PRO HDx 1.0 1.8 4.04 593 546 A 28 LEU HBx A 28 LEU HDy% 1.0 1.8 4.01 594 547 A 30 TYR HBy A 30 TYR H 1.0 1.8 4.06 595 548 A 30 TYR HBy A 75 ALA HA 1.0 1.8 3.96 596 549 A 4 ALA HB% A 95 TYR HBy 1.0 1.8 4.43 597 550 A 95 TYR HBy A 4 ALA HA 1.0 1.8 3.85 598 551 A 4 ALA H A 3 PHE HBy 1.0 1.8 3.98 599 552 A 3 PHE H A 3 PHE HBy 1.0 1.8 3.50 600 553 A 3 PHE HBx A 3 PHE H 1.0 1.8 3.59 601 554 A 3 PHE HBx A 4 ALA HA 1.0 1.8 4.47 602 555 A 3 PHE HA A 6 ASP HBx 1.0 1.8 4.19 603 556 A 95 TYR HBx A 4 ALA HA 1.0 1.8 4.11 604 557 A 60 ASN HBy A 57 HIS HA 1.0 1.8 3.96 605 558 A 60 ASN H A 60 ASN HBy 1.0 1.8 3.54 606 559 A 60 ASN HBx A 57 HIS HA 1.0 1.8 4.11 607 560 A 60 ASN H A 60 ASN HBx 1.0 1.8 3.51 608 561 A 81 LEU H A 81 LEU HBy 1.0 1.8 3.75 609 562 A 76 LEU HDx% A 81 LEU HBy 1.0 1.8 4.24 610 563 A 22 VAL HGy% A 23 ASP HBy 1.0 1.8 4.61 611 564 A 92 TYR HBy A 69 VAL HGx% 1.0 1.8 4.29 612 565 A 30 TYR H A 30 TYR HBx 1.0 1.8 3.66 613 566 A 30 TYR HBx A 27 ILE HA 1.0 1.8 4.00 614 567 A 75 ALA HA A 30 TYR HBx 1.0 1.8 3.94 615 568 A 6 ASP H A 6 ASP HBx 1.0 1.8 3.57 616 569 A 92 TYR H A 92 TYR HBx 1.0 1.8 3.57 617 570 A 73 ILE H A 73 ILE HB 1.0 1.8 3.39 618 571 A 74 ALA H A 73 ILE HB 1.0 1.8 3.60 619 572 A 73 ILE HD1% A 73 ILE HB 1.0 1.8 3.86 620 573 A 23 ASP HBy A 26 GLU HBx 1.0 1.8 5.05 621 574 A 23 ASP H A 23 ASP HBy 1.0 1.8 3.51 622 575 A 23 ASP H A 23 ASP HBx 1.0 1.8 3.50 623 576 A 15 ASN HD22 A 15 ASN HBx 1.0 1.8 4.16 624 577 A 15 ASN H A 15 ASN HBy 1.0 1.8 4.23 625 578 A 15 ASN HD22 A 15 ASN HBy 1.0 1.8 4.22 626 579 A 18 ASN HD21 A 15 ASN HBy 1.0 1.8 4.73 627 580 A 24 VAL H A 23 ASP HBx 1.0 1.8 4.58 628 581 A 53 ASP HBy A 49 SER HBy 1.0 1.8 4.26 629 582 A 15 ASN H A 15 ASN HBx 1.0 1.8 3.91 630 583 A 15 ASN HD21 A 15 ASN HBx 1.0 1.8 4.66 631 584 A 12 ILE H A 11 TYR HBy 1.0 1.8 4.07 632 585 A 72 PHE H A 71 TYR HBy 1.0 1.8 4.22 633 586 A 71 TYR H A 71 TYR HBy 1.0 1.8 4.11 634 587 A 12 ILE H A 11 TYR HBx 1.0 1.8 4.53 635 588 A 11 TYR H A 11 TYR HBx 1.0 1.8 3.65 636 589 A 91 VAL HGx% A 11 TYR HBx 1.0 1.8 4.81 637 590 A 71 TYR H A 71 TYR HBx 1.0 1.8 3.60 638 591 A 31 LEU HDx% A 71 TYR HBx 1.0 1.8 4.46 639 592 A 72 PHE H A 71 TYR HBx 1.0 1.8 4.27 640 593 A 21 ASN H A 21 ASN HBy 1.0 1.8 4.15 641 594 A 53 ASP HBy A 53 ASP HA 1.0 1.8 3.47 642 595 A 53 ASP H A 53 ASP HBy 1.0 1.8 3.57 643 596 A 53 ASP H A 53 ASP HBx 1.0 1.8 3.53 644 597 A 49 SER HBx A 53 ASP HBx 1.0 1.8 4.29 645 598 A 54 THR H A 53 ASP HBx 1.0 1.8 4.45 646 599 A 49 SER HBy A 53 ASP HBx 1.0 1.8 4.45 647 600 A 21 ASN H A 21 ASN HBx 1.0 1.8 3.73 648 601 A 21 ASN HD21 A 21 ASN HBx 1.0 1.8 4.34 649 602 A 18 ASN H A 18 ASN HBx 1.0 1.8 4.00 650 603 A 9 TYR HBy A 6 ASP HA 1.0 1.8 4.21 651 604 A 10 LYS H A 9 TYR HBy 1.0 1.8 4.57 652 605 A 9 TYR HBy A 68 TRP HZ2 1.0 1.8 4.53 653 606 A 9 TYR HBx A 6 ASP HA 1.0 1.8 4.24 654 607 A 40 ASP H A 40 ASP HBx 1.0 1.8 3.35 655 608 A 37 ARG HA A 40 ASP HBx 1.0 1.8 4.20 656 609 A 41 ARG H A 40 ASP HBx 1.0 1.8 3.93 657 610 A 18 ASN HD21 A 18 ASN HBx 1.0 1.8 4.49 658 611 A 9 TYR HBx A 68 TRP HZ2 1.0 1.8 4.49 659 612 A 15 ASN HBy A 18 ASN HBx 1.0 1.8 4.34 660 613 A 12 ILE HD1% A 12 ILE HB 1.0 1.8 3.73 661 614 A 9 TYR HA A 12 ILE HB 1.0 1.8 4.20 662 615 A 12 ILE H A 12 ILE HB 1.0 1.8 3.50 663 616 A 87 GLU H A 86 ASP HBy 1.0 1.8 4.09 664 617 A 59 PHE HBy A 9 TYR HE% 1.0 1.8 4.52 665 618 A 87 GLU H A 86 ASP HBx 1.0 1.8 4.30 666 619 A 86 ASP H A 86 ASP HBx 1.0 1.8 3.55 667 620 A 83 ASP HA A 86 ASP HBx 1.0 1.8 3.96 668 621 A 59 PHE H A 59 PHE HBx 1.0 1.8 4.04 669 622 A 83 ASP H A 83 ASP HB2 1.0 1.8 3.31 670 622 A 83 ASP H A 83 ASP HB3 1.0 1.8 3.31 671 623 A 84 LEU H A 83 ASP HB2 1.0 1.8 3.78 672 623 A 84 LEU H A 83 ASP HB3 1.0 1.8 3.78 673 624 A 83 ASP HA A 83 ASP HB2 1.0 1.8 3.27 674 624 A 83 ASP HA A 83 ASP HB3 1.0 1.8 3.27 675 625 A 5 GLU H A 5 GLU HGy 1.0 1.8 3.97 676 626 A 69 VAL HGy% A 5 GLU HGy 1.0 1.8 4.78 677 627 A 69 VAL HGy% A 5 GLU HGx 1.0 1.8 4.36 678 628 A 39 GLN H A 39 GLN HGy 1.0 1.8 3.67 679 629 A 39 GLN HGx A 39 GLN HE21 1.0 1.8 4.52 680 630 A 39 GLN HA A 39 GLN HGy 1.0 1.8 4.29 681 631 A 39 GLN HE21 A 39 GLN HGy 1.0 1.8 4.16 682 632 A 39 GLN HGx A 34 LEU HBy 1.0 1.8 3.98 683 633 A 39 GLN HGx A 28 LEU HDy% 1.0 1.8 4.45 684 634 A 93 GLN HA A 93 GLN HG2 1.0 1.8 4.05 685 634 A 93 GLN HG3 A 93 GLN HA 1.0 1.8 4.05 686 635 A 26 GLU HA A 26 GLU HG2 1.0 1.8 3.89 687 635 A 26 GLU HA A 26 GLU HG3 1.0 1.8 3.89 688 636 A 96 GLN H A 96 GLN HG2 1.0 1.8 3.78 689 636 A 96 GLN H A 96 GLN HG3 1.0 1.8 3.78 690 637 A 96 GLN HE21 A 96 GLN HG2 1.0 1.8 4.23 691 637 A 96 GLN HG3 A 96 GLN HE21 1.0 1.8 4.23 692 638 A 96 GLN HBy A 96 GLN HG2 1.0 1.8 2.92 693 638 A 96 GLN HBy A 96 GLN HG3 1.0 1.8 2.92 694 639 A 96 GLN HBx A 96 GLN HG2 1.0 1.8 3.17 695 639 A 96 GLN HG3 A 96 GLN HBx 1.0 1.8 3.17 696 640 A 96 GLN HA A 96 GLN HG2 1.0 1.8 3.93 697 640 A 96 GLN HA A 96 GLN HG3 1.0 1.8 3.93 698 641 A 97 PRO HDx A 96 GLN HG2 1.0 1.8 4.89 699 641 A 97 PRO HDx A 96 GLN HG3 1.0 1.8 4.89 700 642 A 87 GLU H A 87 GLU HGy 1.0 1.8 4.15 701 643 A 26 GLU H A 26 GLU HG2 1.0 1.8 4.44 702 643 A 26 GLU H A 26 GLU HG3 1.0 1.8 4.44 703 644 A 87 GLU H A 87 GLU HGx 1.0 1.8 4.32 704 645 A 87 GLU HA A 87 GLU HGx 1.0 1.8 4.12 705 646 A 80 GLU HA A 80 GLU HGy 1.0 1.8 3.84 706 647 A 80 GLU HA A 80 GLU HGx 1.0 1.8 4.12 707 648 A 70 GLU H A 70 GLU HGy 1.0 1.8 4.21 708 649 A 70 GLU H A 70 GLU HGx 1.0 1.8 4.24 709 650 A 70 GLU HA A 70 GLU HGx 1.0 1.8 4.58 710 651 A 80 GLU H A 80 GLU HGy 1.0 1.8 4.59 711 652 A 1 MET H A 1 MET HGy 1.0 1.8 4.29 712 653 A 1 MET HGy A 1 MET HB2 1.0 1.8 3.13 713 653 A 1 MET HB3 A 1 MET HGy 1.0 1.8 3.13 714 654 A 1 MET H A 1 MET HGx 1.0 1.8 4.39 715 655 A 1 MET HGx A 1 MET HB2 1.0 1.8 3.20 716 655 A 1 MET HB3 A 1 MET HGx 1.0 1.8 3.20 717 656 A 1 MET HA A 1 MET HGx 1.0 1.8 4.01 718 657 A 2 PRO HDx A 1 MET HB2 1.0 1.8 4.47 719 657 A 2 PRO HDx A 1 MET HB3 1.0 1.8 4.47 720 658 A 24 VAL H A 24 VAL HB 1.0 1.8 3.43 721 659 A 0 SER HB2 A 1 MET HB2 1.0 1.8 4.40 722 659 A 0 SER HB3 A 1 MET HB2 1.0 1.8 4.40 723 659 A 1 MET HB3 A 0 SER HB2 1.0 1.8 4.40 724 659 A 1 MET HB3 A 0 SER HB3 1.0 1.8 4.40 725 660 A 2 PRO HBx A 3 PHE H 1.0 1.8 4.39 726 661 A 82 VAL H A 82 VAL HB 1.0 1.8 3.31 727 662 A 10 LYS HGy A 10 LYS HB2 1.0 1.8 2.99 728 662 A 10 LYS HB3 A 10 LYS HGy 1.0 1.8 2.99 729 663 A 98 ARG H A 97 PRO HBx 1.0 1.8 4.59 730 664 A 10 LYS H A 10 LYS HB2 1.0 1.8 3.47 731 664 A 10 LYS H A 10 LYS HB3 1.0 1.8 3.47 732 665 A 7 LYS HBy A 7 LYS HEy 1.0 1.8 5.80 733 666 A 91 VAL H A 91 VAL HB 1.0 1.8 3.35 734 667 A 23 ASP H A 22 VAL HB 1.0 1.8 4.49 735 668 A 22 VAL H A 22 VAL HB 1.0 1.8 3.32 736 669 A 26 GLU H A 25 VAL HB 1.0 1.8 3.97 737 670 A 88 VAL H A 88 VAL HB 1.0 1.8 3.48 738 671 A 73 ILE HD1% A 88 VAL HB 1.0 1.8 4.75 739 672 A 30 TYR H A 29 PRO HBy 1.0 1.8 4.23 740 673 A 98 ARG H A 98 ARG HBx 1.0 1.8 3.81 741 674 A 30 TYR H A 29 PRO HBx 1.0 1.8 4.89 742 675 A 98 ARG HBy A 98 ARG HG2 1.0 1.8 2.83 743 675 A 98 ARG HBy A 98 ARG HG3 1.0 1.8 2.83 744 676 A 98 ARG HBx A 98 ARG HG2 1.0 1.8 2.85 745 676 A 98 ARG HBx A 98 ARG HG3 1.0 1.8 2.85 746 677 A 63 GLN HGx A 64 ARG HGx 1.0 1.8 4.86 747 678 A 60 ASN HA A 63 GLN HGy 1.0 1.8 4.04 748 679 A 63 GLN H A 63 GLN HGy 1.0 1.8 3.73 749 680 A 27 ILE HA A 27 ILE HG12 1.0 1.8 3.80 750 680 A 27 ILE HG13 A 27 ILE HA 1.0 1.8 3.80 751 681 A 24 VAL HA A 27 ILE HG12 1.0 1.8 4.67 752 681 A 27 ILE HG13 A 24 VAL HA 1.0 1.8 4.67 753 682 A 60 ASN HA A 63 GLN HGx 1.0 1.8 4.37 754 683 A 63 GLN H A 63 GLN HGx 1.0 1.8 4.23 755 684 A 64 ARG HBy A 64 ARG HD2 1.0 1.8 4.17 756 684 A 64 ARG HBy A 64 ARG HD3 1.0 1.8 4.17 757 685 A 64 ARG H A 64 ARG HBy 1.0 1.8 4.13 758 686 A 64 ARG HGx A 64 ARG HBx 1.0 1.8 3.36 759 687 A 64 ARG H A 64 ARG HBx 1.0 1.8 3.96 760 688 A 64 ARG HBx A 64 ARG HD2 1.0 1.8 4.42 761 688 A 64 ARG HD3 A 64 ARG HBx 1.0 1.8 4.42 762 689 A 27 ILE HG2% A 27 ILE HG12 1.0 1.8 3.96 763 689 A 27 ILE HG13 A 27 ILE HG2% 1.0 1.8 3.96 764 690 A 73 ILE HG1y A 69 VAL HGx% 1.0 1.8 4.89 765 691 A 73 ILE HA A 73 ILE HG1x 1.0 1.8 4.15 766 692 A 53 ASP H A 52 ARG HBy 1.0 1.8 4.11 767 693 A 38 ASP HA A 41 ARG HB2 1.0 1.8 3.80 768 693 A 41 ARG HB3 A 38 ASP HA 1.0 1.8 3.80 769 694 A 41 ARG HA A 41 ARG HB2 1.0 1.8 3.29 770 694 A 41 ARG HB3 A 41 ARG HA 1.0 1.8 3.29 771 695 A 41 ARG HGy A 41 ARG HB2 1.0 1.8 2.92 772 695 A 41 ARG HB3 A 41 ARG HGy 1.0 1.8 2.92 773 696 A 43 ARG HE A 43 ARG HB2 1.0 1.8 4.68 774 696 A 43 ARG HB3 A 43 ARG HE 1.0 1.8 4.68 775 697 A 43 ARG H A 43 ARG HB2 1.0 1.8 3.54 776 697 A 43 ARG H A 43 ARG HB3 1.0 1.8 3.54 777 698 A 43 ARG HGx A 43 ARG HB2 1.0 1.8 3.38 778 698 A 43 ARG HB3 A 43 ARG HGx 1.0 1.8 3.38 779 699 A 38 ASP H A 37 ARG HBy 1.0 1.8 4.29 780 700 A 37 ARG HGx A 37 ARG HBx 1.0 1.8 3.16 781 701 A 73 ILE H A 73 ILE HG1x 1.0 1.8 4.31 782 702 A 69 VAL H A 69 VAL HB 1.0 1.8 3.55 783 703 A 37 ARG HBx A 37 ARG HD2 1.0 1.8 4.09 784 703 A 37 ARG HD3 A 37 ARG HBx 1.0 1.8 4.09 785 704 A 43 ARG HGx A 28 LEU HDx% 1.0 1.8 5.13 786 705 A 70 GLU H A 69 VAL HB 1.0 1.8 3.77 787 706 A 43 ARG HGx A 43 ARG HA 1.0 1.8 4.01 788 707 A 43 ARG HA A 43 ARG HGy 1.0 1.8 4.65 789 708 A 77 ARG HBy A 78 GLY H 1.0 1.8 4.09 790 709 A 77 ARG HBy A 77 ARG HDy 1.0 1.8 3.96 791 710 A 10 LYS HDx A 10 LYS HB2 1.0 1.8 3.81 792 710 A 10 LYS HB3 A 10 LYS HDx 1.0 1.8 3.81 793 711 A 56 TRP H A 56 TRP HBy 1.0 1.8 3.76 794 712 A 57 HIS H A 56 TRP HBy 1.0 1.8 4.09 795 713 A 68 TRP HBx A 68 TRP HE3 1.0 1.8 4.65 796 714 A 68 TRP HBx A 62 LEU HDx% 1.0 1.8 4.80 797 715 A 56 TRP H A 56 TRP HBx 1.0 1.8 3.62 798 716 A 57 HIS H A 56 TRP HBx 1.0 1.8 4.46 799 717 A 65 ARG HBx A 65 ARG HD2 1.0 1.8 4.15 800 717 A 65 ARG HD3 A 65 ARG HBx 1.0 1.8 4.15 801 718 A 73 ILE HG2% A 77 ARG HBy 1.0 1.8 4.83 802 719 A 77 ARG H A 77 ARG HBy 1.0 1.8 3.46 803 720 A 77 ARG HBy A 77 ARG HE 1.0 1.8 4.14 804 721 A 10 LYS HDy A 10 LYS HB2 1.0 1.8 3.59 805 721 A 10 LYS HB3 A 10 LYS HDy 1.0 1.8 3.59 806 722 A 10 LYS HGx A 10 LYS HDy 1.0 1.8 3.35 807 723 A 10 LYS HA A 10 LYS HDx 1.0 1.8 4.54 808 724 A 33 CYS HA A 33 CYS HBy 1.0 1.8 3.25 809 725 A 26 GLU H A 26 GLU HBy 1.0 1.8 3.60 810 726 A 26 GLU HBy A 26 GLU HG2 1.0 1.8 3.29 811 726 A 26 GLU HBy A 26 GLU HG3 1.0 1.8 3.29 812 727 A 33 CYS HBx A 33 CYS HA 1.0 1.8 3.45 813 728 A 33 CYS H A 33 CYS HBx 1.0 1.8 4.37 814 729 A 27 ILE H A 26 GLU HBx 1.0 1.8 4.20 815 730 A 26 GLU H A 26 GLU HBx 1.0 1.8 3.47 816 731 A 66 PRO HDx A 65 ARG HBx 1.0 1.8 4.67 817 732 A 77 ARG H A 77 ARG HBx 1.0 1.8 4.39 818 733 A 69 VAL HGy% A 5 GLU HBx 1.0 1.8 4.97 819 734 A 5 GLU H A 5 GLU HBy 1.0 1.8 3.83 820 735 A 26 GLU HBx A 23 ASP HBx 1.0 1.8 4.55 821 736 A 7 LYS HBx A 7 LYS HDy 1.0 1.8 3.88 822 736 A 7 LYS HBx A 7 LYS HDx 1.0 1.8 3.88 823 737 A 7 LYS HA A 7 LYS HDy 1.0 1.8 4.04 824 737 A 7 LYS HA A 7 LYS HDx 1.0 1.8 4.04 825 738 A 31 LEU H A 31 LEU HDy% 1.0 1.8 4.73 826 739 A 12 ILE HA A 12 ILE HG1x 1.0 1.8 4.58 827 740 A 87 GLU HBx A 88 VAL H 1.0 1.8 4.08 828 741 A 12 ILE H A 12 ILE HG1y 1.0 1.8 3.81 829 742 A 11 TYR HBy A 12 ILE HG1y 1.0 1.8 4.35 830 743 A 11 TYR HD% A 12 ILE HG1y 1.0 1.8 4.68 831 744 A 28 LEU HA A 31 LEU HDy% 1.0 1.8 3.91 832 745 A 31 LEU HBy A 31 LEU HDy% 1.0 1.8 3.85 833 746 A 62 LEU HG A 31 LEU HDy% 1.0 1.8 4.88 834 747 A 31 LEU HBx A 31 LEU HDy% 1.0 1.8 3.83 835 748 A 12 ILE H A 12 ILE HG1x 1.0 1.8 4.43 836 749 A 93 GLN HB2 A 93 GLN HG2 1.0 1.8 3.27 837 749 A 93 GLN HB3 A 93 GLN HG2 1.0 1.8 3.27 838 749 A 93 GLN HG3 A 93 GLN HB2 1.0 1.8 3.27 839 749 A 93 GLN HB3 A 93 GLN HG3 1.0 1.8 3.27 840 750 A 90 SER HA A 93 GLN HB2 1.0 1.8 4.59 841 750 A 93 GLN HB3 A 90 SER HA 1.0 1.8 4.59 842 751 A 52 ARG HA A 52 ARG HGy 1.0 1.8 4.74 843 752 A 58 LEU H A 57 HIS HB2 1.0 1.8 3.97 844 752 A 58 LEU H A 57 HIS HB3 1.0 1.8 3.97 845 753 A 57 HIS H A 57 HIS HB2 1.0 1.8 3.62 846 753 A 57 HIS H A 57 HIS HB3 1.0 1.8 3.62 847 754 A 54 THR HA A 57 HIS HB2 1.0 1.8 4.03 848 754 A 57 HIS HB3 A 54 THR HA 1.0 1.8 4.03 849 755 A 26 GLU HBx A 79 CYS HBy 1.0 1.8 4.42 850 756 A 39 GLN HA A 39 GLN HB2 1.0 1.8 3.28 851 756 A 39 GLN HB3 A 39 GLN HA 1.0 1.8 3.28 852 757 A 79 CYS H A 79 CYS HBy 1.0 1.8 4.57 853 758 A 81 LEU HDx% A 79 CYS HBy 1.0 1.8 4.61 854 759 A 26 GLU HBy A 79 CYS HBy 1.0 1.8 4.40 855 760 A 79 CYS H A 79 CYS HBx 1.0 1.8 3.70 856 761 A 26 GLU HBy A 79 CYS HBx 1.0 1.8 4.19 857 762 A 81 LEU HDx% A 79 CYS HBx 1.0 1.8 4.96 858 763 A 39 GLN HGx A 39 GLN HB2 1.0 1.8 3.17 859 763 A 39 GLN HGx A 39 GLN HB3 1.0 1.8 3.17 860 764 A 64 ARG HGx A 64 ARG HA 1.0 1.8 4.42 861 765 A 64 ARG HGx A 64 ARG HE 1.0 1.8 4.74 862 766 A 64 ARG H A 64 ARG HGx 1.0 1.8 4.31 863 767 A 41 ARG H A 41 ARG HGy 1.0 1.8 4.57 864 768 A 41 ARG HA A 41 ARG HGy 1.0 1.8 4.01 865 769 A 64 ARG H A 64 ARG HGy 1.0 1.8 4.05 866 770 A 14 ARG HGx A 15 ASN HD21 1.0 1.8 4.89 867 771 A 64 ARG HA A 64 ARG HGy 1.0 1.8 3.82 868 772 A 41 ARG HA A 41 ARG HGx 1.0 1.8 4.29 869 773 A 41 ARG HGx A 41 ARG HB2 1.0 1.8 3.23 870 773 A 41 ARG HB3 A 41 ARG HGx 1.0 1.8 3.23 871 774 A 58 LEU HA A 58 LEU HG 1.0 1.8 4.39 872 775 A 81 LEU HDx% A 23 ASP H 1.0 1.8 4.73 873 776 A 81 LEU HDx% A 81 LEU HA 1.0 1.8 4.98 874 777 A 34 LEU HBx A 34 LEU HDx% 1.0 1.8 3.98 875 778 A 42 LEU HA A 42 LEU HDx% 1.0 1.8 4.74 876 779 A 42 LEU H A 42 LEU HDx% 1.0 1.8 4.37 877 780 A 42 LEU HDx% A 42 LEU HBx 1.0 1.8 3.86 878 781 A 20 CYS H A 20 CYS HBy 1.0 1.8 3.67 879 782 A 20 CYS H A 20 CYS HBx 1.0 1.8 3.69 880 783 A 97 PRO HGx A 98 ARG HG2 1.0 1.8 3.59 881 783 A 98 ARG HG3 A 97 PRO HGx 1.0 1.8 3.59 882 784 A 71 TYR H A 70 GLU HBx 1.0 1.8 3.94 883 784 A 71 TYR H A 70 GLU HBy 1.0 1.8 3.94 884 785 A 70 GLU H A 70 GLU HBx 1.0 1.8 3.54 885 785 A 70 GLU H A 70 GLU HBy 1.0 1.8 3.54 886 786 A 42 LEU HG A 42 LEU HA 1.0 1.8 4.51 887 787 A 37 ARG HA A 37 ARG HGy 1.0 1.8 3.98 888 788 A 98 ARG H A 98 ARG HG2 1.0 1.8 4.60 889 788 A 98 ARG H A 98 ARG HG3 1.0 1.8 4.60 890 789 A 37 ARG HGx A 37 ARG HA 1.0 1.8 4.03 891 790 A 14 ARG HBy A 14 ARG HGx 1.0 1.8 2.76 892 791 A 81 LEU HDx% A 81 LEU HBx 1.0 1.8 3.81 893 792 A 81 LEU HDx% A 76 LEU HA 1.0 1.8 4.51 894 793 A 81 LEU HDx% A 22 VAL HA 1.0 1.8 4.28 895 794 A 81 LEU HDx% A 81 LEU HBy 1.0 1.8 3.68 896 795 A 81 LEU HDx% A 22 VAL HGx% 1.0 1.8 4.09 897 796 A 34 LEU H A 34 LEU HDx% 1.0 1.8 4.78 898 797 A 58 LEU HA A 42 LEU HDx% 1.0 1.8 4.46 899 798 A 14 ARG H A 13 CYS HBx 1.0 1.8 4.08 900 799 A 13 CYS H A 13 CYS HBx 1.0 1.8 4.03 901 800 A 48 LEU H A 48 LEU HG 1.0 1.8 4.03 902 801 A 48 LEU HG A 48 LEU HA 1.0 1.8 4.32 903 802 A 14 ARG H A 13 CYS HBy 1.0 1.8 4.12 904 803 A 62 LEU H A 62 LEU HG 1.0 1.8 4.14 905 804 A 55 LEU H A 55 LEU HG 1.0 1.8 4.16 906 805 A 84 LEU H A 84 LEU HG 1.0 1.8 4.07 907 806 A 65 ARG HA A 65 ARG HGy 1.0 1.8 4.30 908 807 A 65 ARG H A 65 ARG HGy 1.0 1.8 4.34 909 808 A 84 LEU HA A 84 LEU HG 1.0 1.8 4.35 910 809 A 43 ARG H A 28 LEU HDx% 1.0 1.8 4.74 911 810 A 43 ARG HA A 28 LEU HDx% 1.0 1.8 4.74 912 811 A 39 GLN HA A 28 LEU HDx% 1.0 1.8 4.74 913 812 A 25 VAL HA A 28 LEU HDx% 1.0 1.8 4.11 914 813 A 28 LEU HBy A 28 LEU HDx% 1.0 1.8 4.01 915 814 A 42 LEU HBx A 28 LEU HDx% 1.0 1.8 4.42 916 815 A 65 ARG HE A 65 ARG HGy 1.0 1.8 4.68 917 816 A 65 ARG H A 65 ARG HGx 1.0 1.8 4.73 918 817 A 65 ARG HE A 65 ARG HGx 1.0 1.8 4.45 919 818 A 28 LEU H A 28 LEU HDx% 1.0 1.8 4.70 920 819 A 46 CYS H A 46 CYS HBy 1.0 1.8 3.50 921 820 A 46 CYS HBy A 54 THR HG2% 1.0 1.8 4.72 922 821 A 47 THR H A 46 CYS HBy 1.0 1.8 3.71 923 822 A 46 CYS H A 46 CYS HBx 1.0 1.8 3.39 924 823 A 47 THR H A 46 CYS HBx 1.0 1.8 4.01 925 824 A 43 ARG HA A 46 CYS HBx 1.0 1.8 4.44 926 825 A 25 VAL HA A 28 LEU HG 1.0 1.8 4.38 927 826 A 81 LEU HA A 81 LEU HG 1.0 1.8 4.47 928 827 A 28 LEU H A 28 LEU HG 1.0 1.8 3.80 929 828 A 10 LYS HA A 10 LYS HGy 1.0 1.8 4.29 930 829 A 76 LEU HG A 76 LEU HA 1.0 1.8 4.62 931 830 A 76 LEU HG A 27 ILE HD1% 1.0 1.8 5.05 932 831 A 55 LEU HDy% A 22 VAL H 1.0 1.8 4.78 933 832 A 58 LEU HDy% A 58 LEU HBy 1.0 1.8 3.80 934 833 A 58 LEU HDy% A 55 LEU HG 1.0 1.8 5.07 935 834 A 58 LEU HDy% A 31 LEU HDy% 1.0 1.8 4.28 936 835 A 58 LEU HDy% A 55 LEU HA 1.0 1.8 4.50 937 836 A 10 LYS HGy A 10 LYS HE2 1.0 1.8 4.54 938 836 A 10 LYS HGy A 10 LYS HE3 1.0 1.8 4.54 939 837 A 68 TRP HE1 A 63 GLN HBy 1.0 1.8 4.75 940 838 A 10 LYS H A 10 LYS HGx 1.0 1.8 4.63 941 839 A 55 LEU HDy% A 51 ASN HD21 1.0 1.8 4.74 942 840 A 55 LEU HDy% A 51 ASN HD22 1.0 1.8 4.78 943 841 A 55 LEU HDy% A 55 LEU HA 1.0 1.8 4.00 944 842 A 55 LEU HDy% A 22 VAL HB 1.0 1.8 4.80 945 843 A 62 LEU HDy% A 72 PHE HBy 1.0 1.8 4.13 946 844 A 62 LEU HDy% A 68 TRP HBx 1.0 1.8 4.69 947 845 A 62 LEU HDy% A 62 LEU HBy 1.0 1.8 4.06 948 846 A 63 GLN H A 63 GLN HBx 1.0 1.8 3.94 949 847 A 63 GLN HGx A 63 GLN HBx 1.0 1.8 3.39 950 848 A 9 TYR HBy A 63 GLN HBx 1.0 1.8 4.59 951 849 A 76 LEU HDy% A 76 LEU H 1.0 1.8 4.23 952 850 A 76 LEU HDy% A 72 PHE HD% 1.0 1.8 4.77 953 851 A 76 LEU HDy% A 85 ALA HA 1.0 1.8 3.67 954 852 A 76 LEU HBy A 76 LEU HDy% 1.0 1.8 4.11 955 853 A 76 LEU HDy% A 76 LEU HBx 1.0 1.8 3.67 956 854 A 76 LEU HDy% A 73 ILE HG2% 1.0 1.8 4.75 957 855 A 76 LEU HDy% A 73 ILE HA 1.0 1.8 4.14 958 856 A 52 ARG HA A 55 LEU HDy% 1.0 1.8 4.11 959 857 A 55 LEU HDy% A 20 CYS HA 1.0 1.8 3.86 960 858 A 55 LEU HDy% A 55 LEU HBy 1.0 1.8 3.92 961 859 A 31 LEU H A 31 LEU HG 1.0 1.8 4.37 962 860 A 55 LEU HDx% A 16 PHE HE% 1.0 1.8 5.09 963 861 A 55 LEU HDx% A 20 CYS HA 1.0 1.8 4.06 964 862 A 58 LEU HBy A 58 LEU HDx% 1.0 1.8 3.93 965 863 A 62 LEU H A 62 LEU HDx% 1.0 1.8 4.61 966 864 A 62 LEU HA A 62 LEU HDx% 1.0 1.8 3.59 967 865 A 55 LEU HA A 55 LEU HDx% 1.0 1.8 4.16 968 866 A 55 LEU HDx% A 22 VAL HB 1.0 1.8 3.85 969 867 A 84 LEU HDx% A 19 PHE HA 1.0 1.8 4.35 970 868 A 84 LEU HBy A 84 LEU HDx% 1.0 1.8 3.99 971 869 A 76 LEU HDy% A 84 LEU HDx% 1.0 1.8 5.30 972 870 A 31 LEU HDx% A 32 PRO HDy 1.0 1.8 4.88 973 870 A 31 LEU HDx% A 32 PRO HDx 1.0 1.8 4.88 974 871 A 31 LEU HDx% A 31 LEU HBy 1.0 1.8 4.73 975 872 A 31 LEU HDx% A 31 LEU HA 1.0 1.8 3.73 976 873 A 72 PHE HA A 31 LEU HDx% 1.0 1.8 3.90 977 874 A 31 LEU HDx% A 71 TYR HBy 1.0 1.8 4.16 978 875 A 31 LEU HDx% A 75 ALA HB% 1.0 1.8 4.00 979 876 A 31 LEU HDx% A 31 LEU HBx 1.0 1.8 4.05 980 877 A 7 LYS H A 7 LYS HGx 1.0 1.8 4.52 981 878 A 89 ALA H A 88 VAL HGy% 1.0 1.8 4.91 982 879 A 88 VAL H A 88 VAL HGy% 1.0 1.8 3.31 983 880 A 72 PHE HD% A 88 VAL HGy% 1.0 1.8 3.59 984 881 A 85 ALA HA A 88 VAL HGy% 1.0 1.8 4.74 985 882 A 88 VAL HA A 88 VAL HGy% 1.0 1.8 3.50 986 883 A 12 ILE HG2% A 88 VAL HGy% 1.0 1.8 4.92 987 884 A 76 LEU HDy% A 88 VAL HGy% 1.0 1.8 4.06 988 885 A 55 LEU H A 24 VAL HGx% 1.0 1.8 4.53 989 886 A 54 THR HB A 24 VAL HGx% 1.0 1.8 4.34 990 887 A 24 VAL HGx% A 55 LEU HA 1.0 1.8 3.82 991 888 A 24 VAL HGx% A 24 VAL HA 1.0 1.8 3.61 992 889 A 24 VAL HGx% A 55 LEU HG 1.0 1.8 4.66 993 890 A 25 VAL H A 24 VAL HGx% 1.0 1.8 4.16 994 891 A 58 LEU HDy% A 24 VAL HGx% 1.0 1.8 3.99 995 892 A 55 LEU H A 54 THR HG2% 1.0 1.8 4.81 996 893 A 54 THR H A 54 THR HG2% 1.0 1.8 4.78 997 894 A 54 THR HG2% A 57 HIS HB2 1.0 1.8 4.98 998 894 A 57 HIS HB3 A 54 THR HG2% 1.0 1.8 4.98 999 895 A 25 VAL HGx% A 54 THR HG2% 1.0 1.8 4.20 1000 896 A 46 CYS H A 54 THR HG2% 1.0 1.8 4.09 1001 897 A 54 THR HA A 54 THR HG2% 1.0 1.8 3.83 1002 898 A 54 THR HG2% A 46 CYS HBx 1.0 1.8 3.88 1003 899 A 24 VAL HB A 54 THR HG2% 1.0 1.8 4.84 1004 900 A 24 VAL HGx% A 54 THR HG2% 1.0 1.8 4.07 1005 901 A 58 LEU HDy% A 54 THR HG2% 1.0 1.8 4.70 1006 902 A 23 ASP H A 22 VAL HGx% 1.0 1.8 4.61 1007 903 A 48 LEU H A 48 LEU HDx% 1.0 1.8 4.74 1008 903 A 48 LEU H A 48 LEU HDy% 1.0 1.8 4.74 1009 904 A 48 LEU HA A 48 LEU HDx% 1.0 1.8 3.67 1010 904 A 48 LEU HDy% A 48 LEU HA 1.0 1.8 3.67 1011 905 A 28 LEU HDy% A 28 LEU HA 1.0 1.8 3.35 1012 906 A 22 VAL H A 22 VAL HGx% 1.0 1.8 3.45 1013 907 A 22 VAL HA A 22 VAL HGx% 1.0 1.8 3.44 1014 908 A 84 LEU HDx% A 22 VAL HGx% 1.0 1.8 4.06 1015 909 A 58 LEU HA A 42 LEU HDy% 1.0 1.8 3.76 1016 910 A 42 LEU HDy% A 57 HIS HB2 1.0 1.8 3.85 1017 910 A 57 HIS HB3 A 42 LEU HDy% 1.0 1.8 3.85 1018 911 A 42 LEU HBy A 42 LEU HDy% 1.0 1.8 4.09 1019 912 A 58 LEU HBx A 42 LEU HDy% 1.0 1.8 3.96 1020 913 A 42 LEU HA A 42 LEU HDy% 1.0 1.8 3.34 1021 914 A 58 LEU H A 42 LEU HDy% 1.0 1.8 4.39 1022 915 A 76 LEU HDx% A 76 LEU HA 1.0 1.8 3.46 1023 916 A 84 LEU HBy A 76 LEU HDx% 1.0 1.8 4.22 1024 917 A 76 LEU HBx A 76 LEU HDx% 1.0 1.8 3.96 1025 918 A 45 THR HB A 42 LEU HDy% 1.0 1.8 4.81 1026 919 A 34 LEU HDy% A 62 LEU H 1.0 1.8 4.97 1027 920 A 34 LEU HDy% A 34 LEU HA 1.0 1.8 3.45 1028 921 A 34 LEU HDy% A 62 LEU HA 1.0 1.8 4.05 1029 922 A 34 LEU HDy% A 38 ASP HBy 1.0 1.8 4.45 1030 923 A 34 LEU HDy% A 38 ASP HBx 1.0 1.8 4.38 1031 924 A 34 LEU HBx A 34 LEU HDy% 1.0 1.8 4.05 1032 925 A 81 LEU HBy A 81 LEU HDy% 1.0 1.8 4.14 1033 926 A 82 VAL H A 81 LEU HDy% 1.0 1.8 4.73 1034 927 A 22 VAL HA A 81 LEU HDy% 1.0 1.8 4.86 1035 928 A 81 LEU H A 81 LEU HDy% 1.0 1.8 4.61 1036 929 A 81 LEU HA A 81 LEU HDy% 1.0 1.8 3.17 1037 930 A 81 LEU HBx A 81 LEU HDy% 1.0 1.8 3.62 1038 931 A 76 LEU HDx% A 84 LEU HDy% 1.0 1.8 4.84 1039 932 A 87 GLU HBx A 84 LEU HDy% 1.0 1.8 4.62 1040 933 A 84 LEU HDy% A 84 LEU HBx 1.0 1.8 4.19 1041 934 A 84 LEU H A 84 LEU HDy% 1.0 1.8 4.89 1042 935 A 84 LEU HDy% A 19 PHE HA 1.0 1.8 4.65 1043 936 A 84 LEU HA A 84 LEU HDy% 1.0 1.8 3.55 1044 937 A 84 LEU HDy% A 22 VAL HGx% 1.0 1.8 4.93 1045 938 A 47 THR HG2% A 47 THR H 1.0 1.8 4.47 1046 939 A 47 THR HG2% A 47 THR HA 1.0 1.8 3.60 1047 940 A 47 THR HG2% A 48 LEU HDx% 1.0 1.8 5.08 1048 940 A 47 THR HG2% A 48 LEU HDy% 1.0 1.8 5.08 1049 941 A 25 VAL HGx% A 25 VAL H 1.0 1.8 3.29 1050 942 A 25 VAL HGx% A 43 ARG HA 1.0 1.8 4.83 1051 943 A 25 VAL HGx% A 25 VAL HA 1.0 1.8 3.57 1052 944 A 82 VAL H A 82 VAL HGy% 1.0 1.8 3.32 1053 945 A 80 GLU HA A 82 VAL HGy% 1.0 1.8 3.92 1054 946 A 77 ARG HA A 82 VAL HGy% 1.0 1.8 4.39 1055 947 A 82 VAL HA A 82 VAL HGy% 1.0 1.8 3.62 1056 948 A 88 VAL HGx% A 89 ALA HA 1.0 1.8 4.60 1057 949 A 88 VAL H A 88 VAL HGx% 1.0 1.8 4.73 1058 950 A 88 VAL HGx% A 88 VAL HA 1.0 1.8 3.62 1059 951 A 88 VAL HGx% A 73 ILE HG1y 1.0 1.8 4.36 1060 952 A 88 VAL HGx% A 12 ILE HG1x 1.0 1.8 4.47 1061 953 A 73 ILE HD1% A 88 VAL HGx% 1.0 1.8 3.67 1062 954 A 22 VAL HGy% A 23 ASP H 1.0 1.8 3.77 1063 955 A 22 VAL HGy% A 22 VAL HA 1.0 1.8 3.70 1064 956 A 23 ASP HA A 22 VAL HGy% 1.0 1.8 4.54 1065 957 A 35 THR HG2% A 35 THR H 1.0 1.8 3.52 1066 958 A 35 THR HA A 35 THR HG2% 1.0 1.8 3.54 1067 959 A 100 SER H A 99 THR HG2% 1.0 1.8 4.66 1068 960 A 99 THR HA A 99 THR HG2% 1.0 1.8 3.47 1069 961 A 8 THR HG2% A 69 VAL HGx% 1.0 1.8 4.01 1070 962 A 8 THR HG2% A 92 TYR HD% 1.0 1.8 4.97 1071 963 A 26 GLU H A 25 VAL HGy% 1.0 1.8 4.78 1072 964 A 25 VAL HGy% A 25 VAL HA 1.0 1.8 3.61 1073 965 A 25 VAL HGy% A 26 GLU HA 1.0 1.8 4.03 1074 966 A 77 ARG HA A 82 VAL HGx% 1.0 1.8 4.80 1075 967 A 8 THR HG2% A 68 TRP HH2 1.0 1.8 4.44 1076 968 A 8 THR HG2% A 91 VAL HGx% 1.0 1.8 4.26 1077 969 A 69 VAL HGy% A 8 THR HG2% 1.0 1.8 4.11 1078 970 A 8 THR HG2% A 8 THR HA 1.0 1.8 3.71 1079 971 A 8 THR HG2% A 92 TYR HBy 1.0 1.8 4.73 1080 972 A 45 THR HG2% A 49 SER H 1.0 1.8 4.44 1081 973 A 46 CYS H A 45 THR HG2% 1.0 1.8 4.66 1082 974 A 45 THR HG2% A 45 THR HA 1.0 1.8 3.44 1083 975 A 45 THR HG2% A 49 SER HBx 1.0 1.8 3.73 1084 976 A 61 THR H A 61 THR HG2% 1.0 1.8 4.58 1085 977 A 61 THR HG2% A 61 THR HA 1.0 1.8 3.55 1086 978 A 38 ASP HBy A 61 THR HG2% 1.0 1.8 4.76 1087 979 A 38 ASP HBx A 61 THR HG2% 1.0 1.8 4.36 1088 980 A 91 VAL H A 91 VAL HGy% 1.0 1.8 3.63 1089 981 A 91 VAL HGy% A 91 VAL HA 1.0 1.8 3.50 1090 982 A 11 TYR HBy A 91 VAL HGy% 1.0 1.8 4.89 1091 983 A 82 VAL HGx% A 83 ASP HA 1.0 1.8 4.85 1092 984 A 55 LEU H A 24 VAL HGy% 1.0 1.8 4.70 1093 985 A 25 VAL H A 24 VAL HGy% 1.0 1.8 4.40 1094 986 A 51 ASN HA A 24 VAL HGy% 1.0 1.8 4.99 1095 987 A 24 VAL HGy% A 24 VAL HA 1.0 1.8 3.82 1096 988 A 24 VAL H A 24 VAL HGy% 1.0 1.8 4.57 1097 989 A 24 VAL HGy% A 54 THR HG2% 1.0 1.8 3.81 1098 990 A 58 LEU HDy% A 24 VAL HGy% 1.0 1.8 3.05 1099 991 A 92 TYR H A 91 VAL HGy% 1.0 1.8 4.57 1100 992 A 92 TYR H A 91 VAL HGx% 1.0 1.8 4.37 1101 993 A 91 VAL H A 91 VAL HGx% 1.0 1.8 4.53 1102 994 A 91 VAL HGx% A 95 TYR HD% 1.0 1.8 5.05 1103 995 A 91 VAL HGx% A 8 THR HA 1.0 1.8 4.00 1104 996 A 91 VAL HGx% A 91 VAL HA 1.0 1.8 3.73 1105 997 A 91 VAL HGx% A 92 TYR HA 1.0 1.8 4.98 1106 998 A 11 TYR HBy A 91 VAL HGx% 1.0 1.8 4.44 1107 999 A 69 VAL HGx% A 92 TYR HBx 1.0 1.8 4.90 1108 1000 A 73 ILE HD1% A 69 VAL HGx% 1.0 1.8 4.14 1109 1001 A 72 PHE HA A 75 ALA HB% 1.0 1.8 4.01 1110 1002 A 27 ILE HD1% A 75 ALA HB% 1.0 1.8 4.30 1111 1003 A 76 LEU HDx% A 75 ALA HB% 1.0 1.8 5.30 1112 1004 A 75 ALA H A 75 ALA HB% 1.0 1.8 3.31 1113 1005 A 76 LEU H A 75 ALA HB% 1.0 1.8 3.91 1114 1006 A 75 ALA HB% A 30 TYR HD% 1.0 1.8 5.12 1115 1007 A 30 TYR HBy A 75 ALA HB% 1.0 1.8 3.99 1116 1008 A 30 TYR HBx A 75 ALA HB% 1.0 1.8 3.89 1117 1009 A 31 LEU HG A 75 ALA HB% 1.0 1.8 3.94 1118 1010 A 27 ILE HG2% A 75 ALA HB% 1.0 1.8 3.82 1119 1011 A 4 ALA HB% A 92 TYR HD% 1.0 1.8 4.96 1120 1012 A 27 ILE HA A 75 ALA HB% 1.0 1.8 4.72 1121 1013 A 4 ALA H A 4 ALA HB% 1.0 1.8 3.36 1122 1014 A 4 ALA HB% A 95 TYR HBx 1.0 1.8 4.36 1123 1015 A 4 ALA HB% A 96 GLN HG2 1.0 1.8 4.15 1124 1015 A 4 ALA HB% A 96 GLN HG3 1.0 1.8 4.15 1125 1016 A 86 ASP H A 85 ALA HB% 1.0 1.8 3.60 1126 1017 A 85 ALA H A 85 ALA HB% 1.0 1.8 3.29 1127 1018 A 77 ARG H A 85 ALA HB% 1.0 1.8 4.21 1128 1019 A 77 ARG HE A 85 ALA HB% 1.0 1.8 4.78 1129 1020 A 77 ARG HA A 85 ALA HB% 1.0 1.8 4.67 1130 1021 A 82 VAL HA A 85 ALA HB% 1.0 1.8 3.48 1131 1022 A 76 LEU HBy A 85 ALA HB% 1.0 1.8 3.70 1132 1023 A 77 ARG HBy A 85 ALA HB% 1.0 1.8 3.65 1133 1024 A 73 ILE HG2% A 85 ALA HB% 1.0 1.8 3.74 1134 1025 A 76 LEU HDy% A 85 ALA HB% 1.0 1.8 4.46 1135 1026 A 75 ALA H A 74 ALA HB% 1.0 1.8 3.66 1136 1027 A 75 ALA HA A 74 ALA HB% 1.0 1.8 4.47 1137 1028 A 74 ALA H A 74 ALA HB% 1.0 1.8 3.27 1138 1029 A 71 TYR HA A 74 ALA HB% 1.0 1.8 3.94 1139 1030 A 45 THR H A 44 ALA HB% 1.0 1.8 3.74 1140 1031 A 44 ALA HB% A 44 ALA H 1.0 1.8 3.19 1141 1032 A 89 ALA H A 89 ALA HB% 1.0 1.8 3.24 1142 1033 A 90 SER H A 89 ALA HB% 1.0 1.8 3.59 1143 1034 A 86 ASP HA A 89 ALA HB% 1.0 1.8 3.70 1144 1035 A 73 ILE HG2% A 89 ALA HB% 1.0 1.8 3.92 1145 1036 A 73 ILE HD1% A 89 ALA HB% 1.0 1.8 3.89 1146 1037 A 36 ALA H A 36 ALA HB% 1.0 1.8 3.19 1147 1038 A 36 ALA HB% A 37 ARG H 1.0 1.8 3.54 1148 1039 A 35 THR HB A 36 ALA HB% 1.0 1.8 4.73 1149 1040 A 35 THR HA A 36 ALA HB% 1.0 1.8 4.78 1150 1041 A 73 ILE HD1% A 73 ILE HG2% 1.0 1.8 3.61 1151 1042 A 73 ILE HG2% A 73 ILE HA 1.0 1.8 3.69 1152 1043 A 73 ILE HG2% A 77 ARG HDx 1.0 1.8 4.68 1153 1044 A 73 ILE HG2% A 73 ILE HG1y 1.0 1.8 4.30 1154 1045 A 74 ALA H A 73 ILE HG2% 1.0 1.8 4.19 1155 1046 A 73 ILE HG2% A 77 ARG HE 1.0 1.8 4.39 1156 1047 A 73 ILE HG2% A 74 ALA HA 1.0 1.8 4.27 1157 1048 A 27 ILE HG2% A 27 ILE HD1% 1.0 1.8 3.20 1158 1049 A 27 ILE HG2% A 28 LEU HA 1.0 1.8 4.19 1159 1050 A 27 ILE HG2% A 27 ILE HA 1.0 1.8 4.17 1160 1051 A 58 LEU HDy% A 27 ILE HG2% 1.0 1.8 4.15 1161 1052 A 12 ILE HG2% A 68 TRP HH2 1.0 1.8 4.45 1162 1053 A 12 ILE HG2% A 12 ILE HG1y 1.0 1.8 3.63 1163 1054 A 12 ILE HG2% A 88 VAL HGx% 1.0 1.8 5.03 1164 1055 A 12 ILE HG2% A 12 ILE HD1% 1.0 1.8 3.91 1165 1056 A 27 ILE HD1% A 27 ILE HA 1.0 1.8 4.90 1166 1057 A 58 LEU HDy% A 27 ILE HD1% 1.0 1.8 4.32 1167 1058 A 11 TYR HD% A 11 TYR HA 1.0 1.8 3.83 1168 1059 A 68 TRP HA A 71 TYR HD% 1.0 1.8 3.38 1169 1060 A 95 TYR HA A 95 TYR HD% 1.0 1.8 3.19 1170 1061 A 95 TYR HD% A 7 LYS HEx 1.0 1.8 4.13 1171 1062 A 92 TYR HD% A 92 TYR HA 1.0 1.8 3.31 1172 1063 A 71 TYR H A 71 TYR HD% 1.0 1.8 2.76 1173 1064 A 30 TYR H A 30 TYR HD% 1.0 1.8 3.80 1174 1065 A 30 TYR HD% A 30 TYR HA 1.0 1.8 3.54 1175 1066 A 27 ILE HA A 30 TYR HD% 1.0 1.8 3.25 1176 1067 A 69 VAL HGx% A 92 TYR HD% 1.0 1.8 4.14 1177 1068 A 19 PHE HD% A 59 PHE HE% 1.0 1.8 4.21 1178 1069 A 19 PHE HD% A 19 PHE H 1.0 1.8 3.91 1179 1070 A 9 TYR HD% A 9 TYR HA 1.0 1.8 3.48 1180 1071 A 4 ALA H A 3 PHE HD% 1.0 1.8 4.29 1181 1072 A 16 PHE HA A 16 PHE HD% 1.0 1.8 3.68 1182 1073 A 72 PHE HA A 72 PHE HD% 1.0 1.8 3.85 1183 1074 A 88 VAL HGx% A 72 PHE HD% 1.0 1.8 3.76 1184 1075 A 31 LEU HDx% A 72 PHE HD% 1.0 1.8 4.19 1185 1076 A 62 LEU HDy% A 72 PHE HD% 1.0 1.8 3.71 1186 1077 A 55 LEU HBy A 16 PHE HE% 1.0 1.8 4.30 1187 1078 A 55 LEU HBx A 16 PHE HE% 1.0 1.8 4.34 1188 1079 A 59 PHE HD% A 59 PHE HA 1.0 1.8 3.70 1189 1080 A 63 GLN HA A 68 TRP HD1 1.0 1.8 3.76 1190 1081 A 68 TRP H A 68 TRP HD1 1.0 1.8 3.29 1191 1082 A 68 TRP HBx A 68 TRP HD1 1.0 1.8 4.23 1192 1083 A 19 PHE HBy A 59 PHE HE% 1.0 1.8 4.27 1193 1084 A 56 TRP HBy A 56 TRP HD1 1.0 1.8 4.14 1194 1085 A 9 TYR HA A 68 TRP HH2 1.0 1.8 4.30 1195 1086 A 57 HIS HD2 A 57 HIS HB2 1.0 1.8 3.84 1196 1086 A 57 HIS HB3 A 57 HIS HD2 1.0 1.8 3.84 1197 1087 A 8 THR HG2% A 68 TRP HZ3 1.0 1.8 4.22 1198 1088 A 56 TRP HA A 56 TRP HE3 1.0 1.8 3.81 1199 1089 A 56 TRP HBy A 56 TRP HE3 1.0 1.8 4.20 1200 1090 A 91 VAL HGx% A 95 TYR HE% 1.0 1.8 3.67 1201 1091 A 9 TYR HE% A 63 GLN HE21 1.0 1.8 4.37 1202 1092 A 91 VAL HGy% A 11 TYR HE% 1.0 1.8 4.35 1203 1093 A 4 ALA HB% A 92 TYR HE% 1.0 1.8 3.92 1204 1094 A 9 TYR HE% A 59 PHE HBx 1.0 1.8 4.01 1205 1095 A 5 GLU HGx A 92 TYR HE% 1.0 1.8 3.90 1206 1096 A 92 TYR HE% A 5 GLU HGy 1.0 1.8 4.21 1207 1097 A 9 TYR HA A 68 TRP HZ2 1.0 1.8 3.88 1208 1098 A 9 TYR H A 68 TRP HZ2 1.0 1.8 3.66 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 3 PHE C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -68.0 -58.0 PHI 2 2 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 GLU N 1.0 -40.0 -36.0 PSI 3 3 A 4 ALA C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -69.0 -55.0 PHI 4 4 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 ASP N 1.0 -48.0 -36.0 PSI 5 5 A 5 GLU C A 6 ASP N A 6 ASP CA A 6 ASP C 1.0 -73.0 -59.0 PHI 6 6 A 6 ASP N A 6 ASP CA A 6 ASP C A 7 LYS N 1.0 -49.0 -37.0 PSI 7 7 A 6 ASP C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -67.0 -61.0 PHI 8 8 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 THR N 1.0 -46.0 -34.0 PSI 9 9 A 7 LYS C A 8 THR N A 8 THR CA A 8 THR C 1.0 -72.0 -62.0 PHI 10 10 A 8 THR N A 8 THR CA A 8 THR C A 9 TYR N 1.0 -44.0 -34.0 PSI 11 11 A 8 THR C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -67.0 -61.0 PHI 12 12 A 9 TYR N A 9 TYR CA A 9 TYR C A 10 LYS N 1.0 -44.0 -38.0 PSI 13 13 A 9 TYR C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -67.0 -63.0 PHI 14 14 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 TYR N 1.0 -43.0 -35.0 PSI 15 15 A 10 LYS C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -71.0 -57.0 PHI 16 16 A 11 TYR N A 11 TYR CA A 11 TYR C A 12 ILE N 1.0 -45.0 -35.0 PSI 17 17 A 11 TYR C A 12 ILE N A 12 ILE CA A 12 ILE C 1.0 -72.0 -62.0 PHI 18 18 A 12 ILE N A 12 ILE CA A 12 ILE C A 13 CYS N 1.0 -51.0 -39.0 PSI 19 19 A 12 ILE C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -67.0 -53.0 PHI 20 20 A 13 CYS N A 13 CYS CA A 13 CYS C A 14 ARG N 1.0 -45.0 -31.0 PSI 21 21 A 13 CYS C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -72.0 -62.0 PHI 22 22 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 ASN N 1.0 -37.0 -23.0 PSI 23 23 A 17 SER C A 18 ASN N A 18 ASN CA A 18 ASN C 1.0 -87.0 -47.0 PHI 24 24 A 18 ASN N A 18 ASN CA A 18 ASN C A 19 PHE N 1.0 -51.0 -11.0 PSI 25 25 A 18 ASN C A 19 PHE N A 19 PHE CA A 19 PHE C 1.0 -91.0 -51.0 PHI 26 26 A 19 PHE N A 19 PHE CA A 19 PHE C A 20 CYS N 1.0 -54.0 -14.0 PSI 27 27 A 24 VAL C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -64.0 -56.0 PHI 28 28 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 GLU N 1.0 -46.0 -30.0 PSI 29 29 A 25 VAL C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -67.0 -51.0 PHI 30 30 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 ILE N 1.0 -40.0 -28.0 PSI 31 31 A 26 GLU C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -93.0 -67.0 PHI 32 32 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 LEU N 1.0 -32.0 -12.0 PSI 33 33 A 27 ILE C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -67.0 -27.0 PHI 34 34 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 PRO N 1.0 -71.0 -31.0 PSI 35 35 A 36 ALA C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 -71.0 -55.0 PHI 36 36 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 ASP N 1.0 -51.0 -37.0 PSI 37 37 A 37 ARG C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -72.0 -62.0 PHI 38 38 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 GLN N 1.0 -47.0 -35.0 PSI 39 39 A 38 ASP C A 39 GLN N A 39 GLN CA A 39 GLN C 1.0 -68.0 -60.0 PHI 40 40 A 39 GLN N A 39 GLN CA A 39 GLN C A 40 ASP N 1.0 -47.0 -37.0 PSI 41 41 A 39 GLN C A 40 ASP N A 40 ASP CA A 40 ASP C 1.0 -65.0 -55.0 PHI 42 42 A 40 ASP N A 40 ASP CA A 40 ASP C A 41 ARG N 1.0 -51.0 -39.0 PSI 43 43 A 40 ASP C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -70.0 -58.0 PHI 44 44 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 LEU N 1.0 -49.0 -37.0 PSI 45 45 A 41 ARG C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -68.0 -60.0 PHI 46 46 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 ARG N 1.0 -48.0 -38.0 PSI 47 47 A 42 LEU C A 43 ARG N A 43 ARG CA A 43 ARG C 1.0 -66.0 -56.0 PHI 48 48 A 43 ARG N A 43 ARG CA A 43 ARG C A 44 ALA N 1.0 -46.0 -36.0 PSI 49 49 A 43 ARG C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -68.0 -62.0 PHI 50 50 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 THR N 1.0 -42.0 -34.0 PSI 51 51 A 44 ALA C A 45 THR N A 45 THR CA A 45 THR C 1.0 -68.0 -62.0 PHI 52 52 A 45 THR N A 45 THR CA A 45 THR C A 46 CYS N 1.0 -45.0 -35.0 PSI 53 53 A 45 THR C A 46 CYS N A 46 CYS CA A 46 CYS C 1.0 -67.0 -57.0 PHI 54 54 A 46 CYS N A 46 CYS CA A 46 CYS C A 47 THR N 1.0 -51.0 -39.0 PSI 55 55 A 46 CYS C A 47 THR N A 47 THR CA A 47 THR C 1.0 -68.0 -58.0 PHI 56 56 A 47 THR N A 47 THR CA A 47 THR C A 48 LEU N 1.0 -47.0 -39.0 PSI 57 57 A 52 ARG C A 53 ASP N A 53 ASP CA A 53 ASP C 1.0 -69.0 -59.0 PHI 58 58 A 53 ASP N A 53 ASP CA A 53 ASP C A 54 THR N 1.0 -48.0 -32.0 PSI 59 59 A 53 ASP C A 54 THR N A 54 THR CA A 54 THR C 1.0 -71.0 -59.0 PHI 60 60 A 54 THR N A 54 THR CA A 54 THR C A 55 LEU N 1.0 -47.0 -33.0 PSI 61 61 A 54 THR C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -71.0 -61.0 PHI 62 62 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 TRP N 1.0 -48.0 -42.0 PSI 63 63 A 55 LEU C A 56 TRP N A 56 TRP CA A 56 TRP C 1.0 -65.0 -55.0 PHI 64 64 A 56 TRP N A 56 TRP CA A 56 TRP C A 57 HIS N 1.0 -47.0 -37.0 PSI 65 65 A 56 TRP C A 57 HIS N A 57 HIS CA A 57 HIS C 1.0 -72.0 -60.0 PHI 66 66 A 57 HIS N A 57 HIS CA A 57 HIS C A 58 LEU N 1.0 -46.0 -32.0 PSI 67 67 A 57 HIS C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -68.0 -58.0 PHI 68 68 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 PHE N 1.0 -50.0 -42.0 PSI 69 69 A 58 LEU C A 59 PHE N A 59 PHE CA A 59 PHE C 1.0 -66.0 -58.0 PHI 70 70 A 59 PHE N A 59 PHE CA A 59 PHE C A 60 ASN N 1.0 -45.0 -35.0 PSI 71 71 A 59 PHE C A 60 ASN N A 60 ASN CA A 60 ASN C 1.0 -68.0 -56.0 PHI 72 72 A 60 ASN N A 60 ASN CA A 60 ASN C A 61 THR N 1.0 -46.0 -36.0 PSI 73 73 A 60 ASN C A 61 THR N A 61 THR CA A 61 THR C 1.0 -73.0 -59.0 PHI 74 74 A 61 THR N A 61 THR CA A 61 THR C A 62 LEU N 1.0 -49.0 -35.0 PSI 75 75 A 68 TRP C A 69 VAL N A 69 VAL CA A 69 VAL C 1.0 -67.0 -57.0 PHI 76 76 A 69 VAL N A 69 VAL CA A 69 VAL C A 70 GLU N 1.0 -47.0 -37.0 PSI 77 77 A 69 VAL C A 70 GLU N A 70 GLU CA A 70 GLU C 1.0 -64.0 -58.0 PHI 78 78 A 70 GLU N A 70 GLU CA A 70 GLU C A 71 TYR N 1.0 -46.0 -30.0 PSI 79 79 A 70 GLU C A 71 TYR N A 71 TYR CA A 71 TYR C 1.0 -72.0 -64.0 PHI 80 80 A 71 TYR N A 71 TYR CA A 71 TYR C A 72 PHE N 1.0 -47.0 -33.0 PSI 81 81 A 71 TYR C A 72 PHE N A 72 PHE CA A 72 PHE C 1.0 -68.0 -62.0 PHI 82 82 A 72 PHE N A 72 PHE CA A 72 PHE C A 73 ILE N 1.0 -52.0 -40.0 PSI 83 83 A 72 PHE C A 73 ILE N A 73 ILE CA A 73 ILE C 1.0 -67.0 -59.0 PHI 84 84 A 73 ILE N A 73 ILE CA A 73 ILE C A 74 ALA N 1.0 -50.0 -34.0 PSI 85 85 A 73 ILE C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -67.0 -57.0 PHI 86 86 A 74 ALA N A 74 ALA CA A 74 ALA C A 75 ALA N 1.0 -47.0 -37.0 PSI 87 87 A 74 ALA C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -70.0 -58.0 PHI 88 88 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 LEU N 1.0 -51.0 -41.0 PSI 89 89 A 75 ALA C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -68.0 -60.0 PHI 90 90 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 ARG N 1.0 -50.0 -34.0 PSI 91 91 A 82 VAL C A 83 ASP N A 83 ASP CA A 83 ASP C 1.0 -72.0 -56.0 PHI 92 92 A 83 ASP N A 83 ASP CA A 83 ASP C A 84 LEU N 1.0 -49.0 -33.0 PSI 93 93 A 83 ASP C A 84 LEU N A 84 LEU CA A 84 LEU C 1.0 -70.0 -62.0 PHI 94 94 A 84 LEU N A 84 LEU CA A 84 LEU C A 85 ALA N 1.0 -47.0 -35.0 PSI 95 95 A 84 LEU C A 85 ALA N A 85 ALA CA A 85 ALA C 1.0 -67.0 -55.0 PHI 96 96 A 85 ALA N A 85 ALA CA A 85 ALA C A 86 ASP N 1.0 -50.0 -42.0 PSI 97 97 A 85 ALA C A 86 ASP N A 86 ASP CA A 86 ASP C 1.0 -69.0 -61.0 PHI 98 98 A 86 ASP N A 86 ASP CA A 86 ASP C A 87 GLU N 1.0 -46.0 -32.0 PSI 99 99 A 86 ASP C A 87 GLU N A 87 GLU CA A 87 GLU C 1.0 -74.0 -60.0 PHI 100 100 A 87 GLU N A 87 GLU CA A 87 GLU C A 88 VAL N 1.0 -50.0 -38.0 PSI 101 101 A 87 GLU C A 88 VAL N A 88 VAL CA A 88 VAL C 1.0 -65.0 -61.0 PHI 102 102 A 88 VAL N A 88 VAL CA A 88 VAL C A 89 ALA N 1.0 -50.0 -40.0 PSI 103 103 A 88 VAL C A 89 ALA N A 89 ALA CA A 89 ALA C 1.0 -65.0 -55.0 PHI 104 104 A 89 ALA N A 89 ALA CA A 89 ALA C A 90 SER N 1.0 -46.0 -32.0 PSI 105 105 A 89 ALA C A 90 SER N A 90 SER CA A 90 SER C 1.0 -68.0 -60.0 PHI 106 106 A 90 SER N A 90 SER CA A 90 SER C A 91 VAL N 1.0 -47.0 -35.0 PSI 107 107 A 90 SER C A 91 VAL N A 91 VAL CA A 91 VAL C 1.0 -78.0 -62.0 PHI 108 108 A 91 VAL N A 91 VAL CA A 91 VAL C A 92 TYR N 1.0 -47.0 -37.0 PSI 109 109 A 91 VAL C A 92 TYR N A 92 TYR CA A 92 TYR C 1.0 -66.0 -56.0 PHI 110 110 A 92 TYR N A 92 TYR CA A 92 TYR C A 93 GLN N 1.0 -52.0 -32.0 PSI 111 111 A 92 TYR C A 93 GLN N A 93 GLN CA A 93 GLN C 1.0 -68.0 -60.0 PHI 112 112 A 93 GLN N A 93 GLN CA A 93 GLN C A 94 SER N 1.0 -47.0 -33.0 PSI stop_ save_