data_nef_c16157_2ker save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 9 CYS SG 1 25 CYS SG 1 43 CYS SG 1 70 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ALA start . . 2 A 2 THR middle . . 3 A 3 GLY middle . false 4 A 4 SER middle . . 5 A 5 PRO middle . false 6 A 6 VAL middle . . 7 A 7 ALA middle . . 8 A 8 GLU middle . . 9 A 9 CYS middle -HG . 10 A 10 VAL middle . . 11 A 11 GLU middle . . 12 A 12 TYR middle . . 13 A 13 PHE middle . . 14 A 14 GLN middle . . 15 A 15 SER middle . . 16 A 16 TRP middle . . 17 A 17 ARG middle . . 18 A 18 TYR middle . . 19 A 19 THR middle . . 20 A 20 ASP middle . . 21 A 21 VAL middle . . 22 A 22 HIS middle . . 23 A 23 ASN middle . . 24 A 24 GLY middle . false 25 A 25 CYS middle -HG . 26 A 26 ALA middle . . 27 A 27 ASP middle . . 28 A 28 ALA middle . . 29 A 29 VAL middle . . 30 A 30 SER middle . . 31 A 31 VAL middle . . 32 A 32 THR middle . . 33 A 33 VAL middle . . 34 A 34 GLU middle . . 35 A 35 TYR middle . . 36 A 36 THR middle . . 37 A 37 HIS middle . . 38 A 38 GLY middle . false 39 A 39 GLN middle . . 40 A 40 TRP middle . . 41 A 41 ALA middle . . 42 A 42 PRO middle . false 43 A 43 CYS middle -HG . 44 A 44 ARG middle . . 45 A 45 VAL middle . . 46 A 46 ILE middle . . 47 A 47 GLU middle . . 48 A 48 PRO middle . false 49 A 49 GLY middle . false 50 A 50 GLY middle . false 51 A 51 TRP middle . . 52 A 52 ALA middle . . 53 A 53 THR middle . . 54 A 54 PHE middle . . 55 A 55 ALA middle . . 56 A 56 GLY middle . false 57 A 57 TYR middle . . 58 A 58 GLY middle . false 59 A 59 THR middle . . 60 A 60 ASP middle . . 61 A 61 GLY middle . false 62 A 62 ASN middle . . 63 A 63 TYR middle . . 64 A 64 VAL middle . . 65 A 65 THR middle . . 66 A 66 GLY middle . false 67 A 67 LEU middle . . 68 A 68 HIS middle . . 69 A 69 THR middle . . 70 A 70 CYS middle -HG . 71 A 71 ASP middle . . 72 A 72 PRO middle . false 73 A 73 ALA middle . . 74 A 74 THR middle . . 75 A 75 PRO middle . false 76 A 76 SER middle . . 77 A 77 GLY middle . false 78 A 78 VAL end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ALA HA H 1 4.015 0.02 A 1 ALA HB1 H 1 1.381 0.02 A 1 ALA HB2 H 1 1.381 0.02 A 1 ALA HB3 H 1 1.381 0.02 A 1 ALA CA C 13 49.800 0.05 A 1 ALA CB C 13 17.640 0.05 A 2 THR H H 1 7.608 0.02 A 2 THR C C 13 174.815 0.05 A 2 THR CA C 13 56.801 0.05 A 2 THR CB C 13 68.857 0.05 A 2 THR N N 15 113.279 0.05 A 5 PRO HA H 1 4.493 0.02 A 5 PRO HB2 H 1 2.237 0.02 A 5 PRO HB3 H 1 1.814 0.02 A 5 PRO HD2 H 1 3.612 0.02 A 5 PRO HD3 H 1 3.745 0.02 A 5 PRO HGx H 1 1.927 0.02 A 5 PRO HGy H 1 1.927 0.02 A 5 PRO CA C 13 61.290 0.05 A 5 PRO CB C 13 30.190 0.05 A 5 PRO CD C 13 49.060 0.05 A 5 PRO CG C 13 25.517 0.05 A 6 VAL H H 1 7.794 0.02 A 6 VAL HA H 1 3.880 0.02 A 6 VAL HB H 1 1.810 0.02 A 6 VAL HGx% H 1 0.754 0.02 A 6 VAL HGy% H 1 0.732 0.02 A 6 VAL C C 13 175.059 0.05 A 6 VAL CA C 13 59.560 0.05 A 6 VAL CB C 13 30.680 0.05 A 6 VAL CGx C 13 19.775 0.05 A 6 VAL CGy C 13 19.775 0.05 A 6 VAL N N 15 118.616 0.05 A 7 ALA H H 1 8.029 0.02 A 7 ALA HA H 1 4.167 0.02 A 7 ALA HB1 H 1 1.503 0.02 A 7 ALA HB2 H 1 1.503 0.02 A 7 ALA HB3 H 1 1.503 0.02 A 7 ALA C C 13 173.395 0.05 A 7 ALA CA C 13 50.780 0.05 A 7 ALA CB C 13 18.292 0.05 A 7 ALA N N 15 126.653 0.05 A 8 GLU H H 1 8.587 0.02 A 8 GLU HA H 1 4.085 0.02 A 8 GLU HB2 H 1 2.016 0.02 A 8 GLU HB3 H 1 1.937 0.02 A 8 GLU HGx H 1 2.236 0.02 A 8 GLU HGy H 1 2.236 0.02 A 8 GLU C C 13 176.717 0.05 A 8 GLU CA C 13 56.520 0.05 A 8 GLU CB C 13 27.393 0.05 A 8 GLU CG C 13 34.290 0.05 A 8 GLU N N 15 118.049 0.05 A 9 CYS H H 1 7.348 0.02 A 9 CYS HA H 1 4.422 0.02 A 9 CYS HBx H 1 2.993 0.02 A 9 CYS HBy H 1 2.993 0.02 A 9 CYS C C 13 173.399 0.05 A 9 CYS CA C 13 51.850 0.05 A 9 CYS CB C 13 38.617 0.05 A 9 CYS N N 15 109.798 0.05 A 10 VAL H H 1 7.682 0.02 A 10 VAL HA H 1 4.483 0.02 A 10 VAL HB H 1 2.002 0.02 A 10 VAL HGx% H 1 0.793 0.02 A 10 VAL HGy% H 1 0.531 0.02 A 10 VAL C C 13 172.261 0.05 A 10 VAL CA C 13 60.360 0.05 A 10 VAL CB C 13 29.445 0.05 A 10 VAL CG1 C 13 22.050 0.05 A 10 VAL CG2 C 13 20.880 0.05 A 10 VAL N N 15 125.088 0.05 A 11 GLU H H 1 8.322 0.02 A 11 GLU HA H 1 4.644 0.02 A 11 GLU HBx H 1 1.751 0.02 A 11 GLU HBy H 1 1.751 0.02 A 11 GLU HGy H 1 2.079 0.02 A 11 GLU HGx H 1 2.002 0.02 A 11 GLU C C 13 172.004 0.05 A 11 GLU CA C 13 51.852 0.05 A 11 GLU CB C 13 31.925 0.05 A 11 GLU CG C 13 34.288 0.05 A 11 GLU N N 15 124.099 0.05 A 12 TYR H H 1 7.843 0.02 A 12 TYR HA H 1 5.697 0.02 A 12 TYR HBx H 1 2.617 0.02 A 12 TYR HBy H 1 2.617 0.02 A 12 TYR HDx H 1 6.572 0.02 A 12 TYR HDy H 1 6.572 0.02 A 12 TYR HEx H 1 6.515 0.02 A 12 TYR HEy H 1 6.515 0.02 A 12 TYR C C 13 172.281 0.05 A 12 TYR CA C 13 53.160 0.05 A 12 TYR CB C 13 40.610 0.05 A 12 TYR N N 15 115.283 0.05 A 13 PHE H H 1 9.057 0.02 A 13 PHE HA H 1 4.750 0.02 A 13 PHE C C 13 170.766 0.05 A 13 PHE CA C 13 54.815 0.05 A 13 PHE CB C 13 39.947 0.05 A 13 PHE N N 15 119.347 0.05 A 14 GLN HA H 1 5.302 0.02 A 14 GLN HBx H 1 2.283 0.02 A 14 GLN HBy H 1 2.283 0.02 A 14 GLN CA C 13 53.700 0.05 A 14 GLN CB C 13 30.685 0.05 A 15 SER H H 1 8.657 0.02 A 15 SER HA H 1 4.715 0.02 A 15 SER C C 13 172.296 0.05 A 15 SER CA C 13 54.708 0.05 A 15 SER CB C 13 64.456 0.05 A 15 SER N N 15 119.667 0.05 A 17 ARG HA H 1 3.413 0.02 A 17 ARG HBx H 1 0.405 0.02 A 17 ARG HBy H 1 0.405 0.02 A 17 ARG CA C 13 55.648 0.05 A 17 ARG CB C 13 29.496 0.05 A 18 TYR H H 1 6.870 0.02 A 18 TYR HA H 1 5.233 0.02 A 18 TYR HB2 H 1 3.046 0.02 A 18 TYR HB3 H 1 2.546 0.02 A 18 TYR HDx H 1 6.572 0.02 A 18 TYR HDy H 1 6.572 0.02 A 18 TYR HEx H 1 6.514 0.02 A 18 TYR HEy H 1 6.514 0.02 A 18 TYR C C 13 174.107 0.05 A 18 TYR CA C 13 54.231 0.05 A 18 TYR CB C 13 40.725 0.05 A 18 TYR N N 15 114.525 0.05 A 19 THR H H 1 8.684 0.02 A 19 THR HA H 1 5.061 0.02 A 19 THR HB H 1 3.876 0.02 A 19 THR HG21 H 1 0.999 0.02 A 19 THR HG22 H 1 0.999 0.02 A 19 THR HG23 H 1 0.999 0.02 A 19 THR C C 13 173.054 0.05 A 19 THR CA C 13 60.704 0.05 A 19 THR CB C 13 67.997 0.05 A 19 THR CG2 C 13 19.499 0.05 A 19 THR N N 15 119.368 0.05 A 20 ASP H H 1 8.975 0.02 A 20 ASP HA H 1 5.690 0.02 A 20 ASP HB2 H 1 2.932 0.02 A 20 ASP HB3 H 1 2.858 0.02 A 20 ASP C C 13 171.832 0.05 A 20 ASP CA C 13 52.039 0.05 A 20 ASP CB C 13 42.292 0.05 A 20 ASP N N 15 128.307 0.05 A 21 VAL H H 1 9.496 0.02 A 21 VAL HA H 1 4.775 0.02 A 21 VAL HB H 1 1.967 0.02 A 21 VAL HGx% H 1 0.779 0.02 A 21 VAL HGy% H 1 0.603 0.02 A 21 VAL C C 13 173.611 0.05 A 21 VAL CA C 13 59.478 0.05 A 21 VAL CB C 13 32.243 0.05 A 21 VAL CG1 C 13 20.267 0.05 A 21 VAL CG2 C 13 20.185 0.05 A 21 VAL N N 15 123.356 0.05 A 22 HIS H H 1 8.973 0.02 A 22 HIS HA H 1 4.622 0.02 A 22 HIS HBx H 1 2.325 0.02 A 22 HIS HBy H 1 2.325 0.02 A 22 HIS HD2 H 1 7.193 0.02 A 22 HIS C C 13 171.626 0.05 A 22 HIS CA C 13 49.980 0.05 A 22 HIS CB C 13 28.390 0.05 A 22 HIS N N 15 124.534 0.05 A 23 ASN H H 1 8.317 0.02 A 23 ASN HA H 1 4.517 0.02 A 23 ASN HB2 H 1 2.986 0.02 A 23 ASN HB3 H 1 1.781 0.02 A 23 ASN C C 13 171.836 0.05 A 23 ASN CA C 13 49.380 0.05 A 23 ASN CB C 13 36.018 0.05 A 23 ASN N N 15 123.095 0.05 A 24 GLY H H 1 7.602 0.02 A 24 GLY HA2 H 1 4.051 0.02 A 24 GLY HA3 H 1 3.381 0.02 A 24 GLY C C 13 171.684 0.05 A 24 GLY CA C 13 42.936 0.05 A 24 GLY N N 15 113.217 0.05 A 25 CYS H H 1 8.145 0.02 A 25 CYS HA H 1 4.544 0.02 A 25 CYS HB2 H 1 3.475 0.02 A 25 CYS HB3 H 1 3.382 0.02 A 25 CYS C C 13 172.305 0.05 A 25 CYS CA C 13 50.790 0.05 A 25 CYS CB C 13 39.528 0.05 A 25 CYS N N 15 119.843 0.05 A 26 ALA H H 1 8.111 0.02 A 26 ALA HA H 1 4.084 0.02 A 26 ALA HB1 H 1 1.278 0.02 A 26 ALA HB2 H 1 1.278 0.02 A 26 ALA HB3 H 1 1.278 0.02 A 26 ALA C C 13 172.481 0.05 A 26 ALA CA C 13 50.950 0.05 A 26 ALA CB C 13 17.251 0.05 A 26 ALA N N 15 119.852 0.05 A 27 ASP H H 1 6.938 0.02 A 27 ASP HA H 1 4.787 0.02 A 27 ASP HB2 H 1 2.606 0.02 A 27 ASP HB3 H 1 2.232 0.02 A 27 ASP C C 13 174.263 0.05 A 27 ASP CA C 13 49.550 0.05 A 27 ASP CB C 13 42.250 0.05 A 27 ASP N N 15 113.761 0.05 A 28 ALA H H 1 8.454 0.02 A 28 ALA HA H 1 3.986 0.02 A 28 ALA HB1 H 1 1.159 0.02 A 28 ALA HB2 H 1 1.159 0.02 A 28 ALA HB3 H 1 1.159 0.02 A 28 ALA C C 13 173.188 0.05 A 28 ALA CA C 13 50.550 0.05 A 28 ALA CB C 13 16.820 0.05 A 28 ALA N N 15 121.635 0.05 A 29 VAL H H 1 7.742 0.02 A 29 VAL HA H 1 4.553 0.02 A 29 VAL HB H 1 1.852 0.02 A 29 VAL HGx% H 1 0.652 0.02 A 29 VAL HGy% H 1 0.624 0.02 A 29 VAL C C 13 174.826 0.05 A 29 VAL CA C 13 57.140 0.05 A 29 VAL CB C 13 33.000 0.05 A 29 VAL CG1 C 13 18.250 0.05 A 29 VAL CG2 C 13 16.330 0.05 A 29 VAL N N 15 113.732 0.05 A 30 SER H H 1 8.101 0.02 A 30 SER HA H 1 5.338 0.02 A 30 SER HB2 H 1 3.768 0.02 A 30 SER HB3 H 1 3.556 0.02 A 30 SER C C 13 171.613 0.05 A 30 SER CA C 13 54.310 0.05 A 30 SER CB C 13 62.237 0.05 A 30 SER N N 15 118.729 0.05 A 31 VAL H H 1 8.780 0.02 A 31 VAL HA H 1 5.146 0.02 A 31 VAL HB H 1 1.830 0.02 A 31 VAL HGx% H 1 0.679 0.02 A 31 VAL HGy% H 1 0.682 0.02 A 31 VAL C C 13 172.831 0.05 A 31 VAL CA C 13 56.940 0.05 A 31 VAL CB C 13 35.030 0.05 A 31 VAL CG1 C 13 20.243 0.05 A 31 VAL CG2 C 13 18.381 0.05 A 31 VAL N N 15 119.018 0.05 A 32 THR H H 1 8.366 0.02 A 32 THR HA H 1 4.498 0.02 A 32 THR HB H 1 4.057 0.02 A 32 THR HG21 H 1 1.155 0.02 A 32 THR HG22 H 1 1.155 0.02 A 32 THR HG23 H 1 1.155 0.02 A 32 THR C C 13 171.480 0.05 A 32 THR CA C 13 57.100 0.05 A 32 THR CB C 13 67.767 0.05 A 32 THR CG2 C 13 19.440 0.05 A 32 THR N N 15 115.885 0.05 A 33 VAL H H 1 6.720 0.02 A 33 VAL HA H 1 3.950 0.02 A 33 VAL HB H 1 1.132 0.02 A 33 VAL HGx% H 1 -0.216 0.02 A 33 VAL HGy% H 1 -0.374 0.02 A 33 VAL C C 13 169.808 0.05 A 33 VAL CA C 13 57.990 0.05 A 33 VAL CB C 13 32.331 0.05 A 33 VAL CG1 C 13 20.094 0.05 A 33 VAL CG2 C 13 17.230 0.05 A 33 VAL N N 15 119.716 0.05 A 34 GLU H H 1 7.670 0.02 A 34 GLU HA H 1 4.187 0.02 A 34 GLU HB2 H 1 1.425 0.02 A 34 GLU HB3 H 1 0.777 0.02 A 34 GLU C C 13 171.032 0.05 A 34 GLU CA C 13 51.930 0.05 A 34 GLU CB C 13 29.430 0.05 A 34 GLU N N 15 123.182 0.05 A 35 TYR H H 1 8.500 0.02 A 35 TYR HA H 1 4.646 0.02 A 35 TYR HB2 H 1 3.155 0.02 A 35 TYR HB3 H 1 2.585 0.02 A 35 TYR HDx H 1 6.944 0.02 A 35 TYR HDy H 1 6.944 0.02 A 35 TYR HEx H 1 6.396 0.02 A 35 TYR HEy H 1 6.396 0.02 A 35 TYR C C 13 172.817 0.05 A 35 TYR CA C 13 55.880 0.05 A 35 TYR CB C 13 38.300 0.05 A 35 TYR N N 15 122.953 0.05 A 36 THR H H 1 8.295 0.02 A 36 THR HA H 1 3.731 0.02 A 36 THR HB H 1 4.069 0.02 A 36 THR HG21 H 1 1.004 0.02 A 36 THR HG22 H 1 1.004 0.02 A 36 THR HG23 H 1 1.004 0.02 A 36 THR C C 13 175.873 0.05 A 36 THR CA C 13 65.169 0.05 A 36 THR CB C 13 67.700 0.05 A 36 THR CG2 C 13 18.710 0.05 A 36 THR N N 15 119.739 0.05 A 37 HIS H H 1 8.755 0.02 A 37 HIS HA H 1 4.807 0.02 A 37 HIS HB2 H 1 3.233 0.02 A 37 HIS HB3 H 1 3.131 0.02 A 37 HIS HD2 H 1 6.774 0.02 A 37 HIS C C 13 173.381 0.05 A 37 HIS CA C 13 53.412 0.05 A 37 HIS CB C 13 27.137 0.05 A 37 HIS N N 15 115.916 0.05 A 38 GLY H H 1 7.856 0.02 A 38 GLY HA2 H 1 4.091 0.02 A 38 GLY HA3 H 1 3.795 0.02 A 38 GLY C C 13 174.479 0.05 A 38 GLY CA C 13 43.935 0.05 A 38 GLY N N 15 106.387 0.05 A 39 GLN H H 1 8.096 0.02 A 39 GLN HA H 1 4.239 0.02 A 39 GLN HBx H 1 1.816 0.02 A 39 GLN HBy H 1 1.816 0.02 A 39 GLN HG2 H 1 2.293 0.02 A 39 GLN HG3 H 1 2.178 0.02 A 39 GLN C C 13 171.748 0.05 A 39 GLN CA C 13 55.050 0.05 A 39 GLN CB C 13 26.580 0.05 A 39 GLN CG C 13 31.802 0.05 A 39 GLN N N 15 119.846 0.05 A 40 TRP H H 1 8.286 0.02 A 40 TRP HA H 1 4.961 0.02 A 40 TRP HB2 H 1 3.122 0.02 A 40 TRP HB3 H 1 3.012 0.02 A 40 TRP HD1 H 1 7.247 0.02 A 40 TRP HE1 H 1 9.791 0.02 A 40 TRP HE3 H 1 7.411 0.02 A 40 TRP HZ2 H 1 7.176 0.02 A 40 TRP C C 13 172.966 0.05 A 40 TRP CA C 13 55.210 0.05 A 40 TRP CB C 13 28.161 0.05 A 40 TRP N N 15 121.182 0.05 A 40 TRP NE1 N 15 128.933 0.05 A 41 ALA H H 1 7.947 0.02 A 41 ALA HA H 1 4.641 0.02 A 41 ALA HB1 H 1 1.589 0.02 A 41 ALA HB2 H 1 1.589 0.02 A 41 ALA HB3 H 1 1.589 0.02 A 41 ALA C C 13 174.070 0.05 A 41 ALA CA C 13 47.995 0.05 A 41 ALA CB C 13 18.627 0.05 A 41 ALA N N 15 126.752 0.05 A 42 PRO HA H 1 4.240 0.02 A 42 PRO HB2 H 1 2.307 0.02 A 42 PRO HB3 H 1 1.721 0.02 A 42 PRO HDx H 1 3.666 0.02 A 42 PRO HDy H 1 3.666 0.02 A 42 PRO CA C 13 60.853 0.05 A 42 PRO CB C 13 30.203 0.05 A 43 CYS H H 1 8.229 0.02 A 43 CYS HA H 1 4.643 0.02 A 43 CYS HB2 H 1 2.945 0.02 A 43 CYS HB3 H 1 2.726 0.02 A 43 CYS C C 13 173.099 0.05 A 43 CYS CA C 13 53.574 0.05 A 43 CYS CB C 13 39.464 0.05 A 43 CYS N N 15 119.646 0.05 A 44 ARG H H 1 8.931 0.02 A 44 ARG HA H 1 4.653 0.02 A 44 ARG HBx H 1 1.646 0.02 A 44 ARG HBy H 1 1.646 0.02 A 44 ARG HD2 H 1 2.916 0.02 A 44 ARG HD3 H 1 2.811 0.02 A 44 ARG HG2 H 1 1.407 0.02 A 44 ARG HG3 H 1 1.346 0.02 A 44 ARG C C 13 172.821 0.05 A 44 ARG CA C 13 51.850 0.05 A 44 ARG CB C 13 30.892 0.05 A 44 ARG CD C 13 40.528 0.05 A 44 ARG CG C 13 24.943 0.05 A 44 ARG N N 15 128.546 0.05 A 45 VAL H H 1 8.242 0.02 A 45 VAL HA H 1 4.625 0.02 A 45 VAL HB H 1 1.842 0.02 A 45 VAL HGx% H 1 0.866 0.02 A 45 VAL HGy% H 1 0.690 0.02 A 45 VAL C C 13 172.339 0.05 A 45 VAL CA C 13 59.800 0.05 A 45 VAL CB C 13 29.914 0.05 A 45 VAL CG1 C 13 19.280 0.05 A 45 VAL CG2 C 13 18.755 0.05 A 45 VAL N N 15 123.347 0.05 A 46 ILE H H 1 9.161 0.02 A 46 ILE HA H 1 4.241 0.02 A 46 ILE HB H 1 1.414 0.02 A 46 ILE HD11 H 1 0.536 0.02 A 46 ILE HD12 H 1 0.536 0.02 A 46 ILE HD13 H 1 0.536 0.02 A 46 ILE HG1x H 1 0.621 0.02 A 46 ILE HG1y H 1 0.621 0.02 A 46 ILE HG21 H 1 0.815 0.02 A 46 ILE HG22 H 1 0.815 0.02 A 46 ILE HG23 H 1 0.815 0.02 A 46 ILE C C 13 174.656 0.05 A 46 ILE CA C 13 58.660 0.05 A 46 ILE CB C 13 37.551 0.05 A 46 ILE CD1 C 13 13.700 0.05 A 46 ILE CG1 C 13 16.330 0.05 A 46 ILE N N 15 128.086 0.05 A 47 GLU H H 1 9.214 0.02 A 47 GLU HA H 1 4.182 0.02 A 47 GLU HB2 H 1 2.055 0.02 A 47 GLU HB3 H 1 1.860 0.02 A 47 GLU HG2 H 1 2.279 0.02 A 47 GLU HG3 H 1 2.177 0.02 A 47 GLU C C 13 174.413 0.05 A 47 GLU CA C 13 53.820 0.05 A 47 GLU CB C 13 25.600 0.05 A 47 GLU CG C 13 33.683 0.05 A 47 GLU N N 15 129.614 0.05 A 48 PRO HA H 1 3.872 0.02 A 48 PRO HB2 H 1 1.702 0.02 A 48 PRO HB3 H 1 1.960 0.02 A 48 PRO HD2 H 1 3.646 0.02 A 48 PRO HD3 H 1 3.264 0.02 A 48 PRO HG2 H 1 1.992 0.02 A 48 PRO HG3 H 1 1.395 0.02 A 48 PRO CA C 13 62.770 0.05 A 48 PRO CB C 13 29.241 0.05 A 48 PRO CD C 13 48.241 0.05 A 48 PRO CG C 13 26.171 0.05 A 49 GLY H H 1 8.330 0.02 A 49 GLY HA2 H 1 4.140 0.02 A 49 GLY HA3 H 1 3.702 0.02 A 49 GLY C C 13 176.101 0.05 A 49 GLY CA C 13 43.930 0.05 A 49 GLY N N 15 115.617 0.05 A 50 GLY H H 1 8.496 0.02 A 50 GLY HA2 H 1 4.374 0.02 A 50 GLY HA3 H 1 3.614 0.02 A 50 GLY C C 13 172.758 0.05 A 50 GLY CA C 13 42.550 0.05 A 50 GLY N N 15 108.129 0.05 A 51 TRP H H 1 8.184 0.02 A 51 TRP HA H 1 5.778 0.02 A 51 TRP HB2 H 1 3.129 0.02 A 51 TRP HB3 H 1 2.662 0.02 A 51 TRP HD1 H 1 7.183 0.02 A 51 TRP HE1 H 1 9.856 0.02 A 51 TRP HE3 H 1 7.369 0.02 A 51 TRP HZ2 H 1 6.829 0.02 A 51 TRP C C 13 170.134 0.05 A 51 TRP CA C 13 53.820 0.05 A 51 TRP CB C 13 30.930 0.05 A 51 TRP N N 15 117.328 0.05 A 51 TRP NE1 N 15 129.871 0.05 A 52 ALA H H 1 9.354 0.02 A 52 ALA HA H 1 4.654 0.02 A 52 ALA HB1 H 1 1.142 0.02 A 52 ALA HB2 H 1 1.142 0.02 A 52 ALA HB3 H 1 1.142 0.02 A 52 ALA C C 13 174.350 0.05 A 52 ALA CA C 13 49.250 0.05 A 52 ALA CB C 13 20.971 0.05 A 52 ALA N N 15 122.785 0.05 A 53 THR H H 1 8.059 0.02 A 53 THR HA H 1 5.251 0.02 A 53 THR HB H 1 3.622 0.02 A 53 THR HG21 H 1 1.036 0.02 A 53 THR HG22 H 1 1.036 0.02 A 53 THR HG23 H 1 1.036 0.02 A 53 THR C C 13 173.703 0.05 A 53 THR CA C 13 60.321 0.05 A 53 THR CB C 13 69.150 0.05 A 53 THR CG2 C 13 20.839 0.05 A 53 THR N N 15 115.813 0.05 A 54 PHE H H 1 9.370 0.02 A 54 PHE HA H 1 4.827 0.02 A 54 PHE HB2 H 1 2.617 0.02 A 54 PHE HB3 H 1 3.517 0.02 A 54 PHE HDx H 1 7.168 0.02 A 54 PHE HDy H 1 7.168 0.02 A 54 PHE HEx H 1 7.204 0.02 A 54 PHE HEy H 1 7.204 0.02 A 54 PHE C C 13 171.593 0.05 A 54 PHE CA C 13 53.813 0.05 A 54 PHE CB C 13 40.556 0.05 A 54 PHE N N 15 125.684 0.05 A 55 ALA H H 1 8.706 0.02 A 55 ALA HA H 1 4.362 0.02 A 55 ALA HB1 H 1 1.387 0.02 A 55 ALA HB2 H 1 1.387 0.02 A 55 ALA HB3 H 1 1.387 0.02 A 55 ALA C C 13 173.468 0.05 A 55 ALA CA C 13 52.010 0.05 A 55 ALA CB C 13 16.740 0.05 A 55 ALA N N 15 124.175 0.05 A 56 GLY H H 1 7.517 0.02 A 56 GLY HA2 H 1 4.252 0.02 A 56 GLY HA3 H 1 3.339 0.02 A 56 GLY C C 13 178.583 0.05 A 56 GLY CA C 13 42.282 0.05 A 56 GLY N N 15 110.256 0.05 A 57 TYR H H 1 7.154 0.02 A 57 TYR HA H 1 4.516 0.02 A 57 TYR HB2 H 1 2.497 0.02 A 57 TYR HB3 H 1 2.404 0.02 A 57 TYR HDx H 1 7.058 0.02 A 57 TYR HDy H 1 7.058 0.02 A 57 TYR HEx H 1 6.729 0.02 A 57 TYR HEy H 1 6.729 0.02 A 57 TYR C C 13 170.587 0.05 A 57 TYR CA C 13 55.130 0.05 A 57 TYR CB C 13 36.127 0.05 A 57 TYR N N 15 113.618 0.05 A 58 GLY H H 1 8.498 0.02 A 58 GLY HA2 H 1 3.946 0.02 A 58 GLY HA3 H 1 3.420 0.02 A 58 GLY C C 13 175.193 0.05 A 58 GLY CA C 13 43.806 0.05 A 58 GLY N N 15 109.549 0.05 A 59 THR H H 1 8.301 0.02 A 59 THR HA H 1 4.277 0.02 A 59 THR C C 13 172.318 0.05 A 59 THR CA C 13 60.637 0.05 A 59 THR CB C 13 67.412 0.05 A 59 THR N N 15 111.031 0.05 A 60 ASP H H 1 8.414 0.02 A 60 ASP HA H 1 4.679 0.02 A 60 ASP HB2 H 1 2.697 0.02 A 60 ASP HB3 H 1 2.499 0.02 A 60 ASP C C 13 173.345 0.05 A 60 ASP CA C 13 51.030 0.05 A 60 ASP CB C 13 38.608 0.05 A 60 ASP N N 15 120.007 0.05 A 61 GLY H H 1 7.967 0.02 A 61 GLY HA2 H 1 3.550 0.02 A 61 GLY HA3 H 1 2.879 0.02 A 61 GLY C C 13 175.339 0.05 A 61 GLY CA C 13 44.956 0.05 A 61 GLY N N 15 108.692 0.05 A 62 ASN H H 1 8.507 0.02 A 62 ASN HA H 1 4.455 0.02 A 62 ASN HB2 H 1 2.971 0.02 A 62 ASN HB3 H 1 2.358 0.02 A 62 ASN HD21 H 1 6.962 0.02 A 62 ASN HD22 H 1 6.465 0.02 A 62 ASN C C 13 172.217 0.05 A 62 ASN CA C 13 48.627 0.05 A 62 ASN CB C 13 34.339 0.05 A 62 ASN N N 15 120.625 0.05 A 62 ASN ND2 N 15 108.526 0.05 A 63 TYR H H 1 6.994 0.02 A 63 TYR HA H 1 4.477 0.02 A 63 TYR HB2 H 1 3.041 0.02 A 63 TYR HB3 H 1 2.366 0.02 A 63 TYR C C 13 172.042 0.05 A 63 TYR CA C 13 56.210 0.05 A 63 TYR CB C 13 36.755 0.05 A 63 TYR N N 15 116.333 0.05 A 64 VAL H H 1 8.841 0.02 A 64 VAL HA H 1 3.689 0.02 A 64 VAL HB H 1 1.572 0.02 A 64 VAL HGx% H 1 0.539 0.02 A 64 VAL HGy% H 1 0.120 0.02 A 64 VAL C C 13 175.531 0.05 A 64 VAL CA C 13 61.550 0.05 A 64 VAL CB C 13 30.583 0.05 A 64 VAL CG1 C 13 21.285 0.05 A 64 VAL CG2 C 13 19.200 0.05 A 64 VAL N N 15 123.889 0.05 A 65 THR H H 1 8.850 0.02 A 65 THR HA H 1 4.210 0.02 A 65 THR HB H 1 3.931 0.02 A 65 THR HG21 H 1 0.930 0.02 A 65 THR HG22 H 1 0.930 0.02 A 65 THR HG23 H 1 0.930 0.02 A 65 THR C C 13 175.388 0.05 A 65 THR CA C 13 60.109 0.05 A 65 THR CB C 13 66.710 0.05 A 65 THR CG2 C 13 20.020 0.05 A 65 THR N N 15 119.739 0.05 A 66 GLY H H 1 6.907 0.02 A 66 GLY HA2 H 1 3.769 0.02 A 66 GLY HA3 H 1 3.583 0.02 A 66 GLY C C 13 173.131 0.05 A 66 GLY CA C 13 42.950 0.05 A 66 GLY N N 15 108.712 0.05 A 67 LEU H H 1 7.723 0.02 A 67 LEU HA H 1 4.628 0.02 A 67 LEU HB2 H 1 1.182 0.02 A 67 LEU HB3 H 1 1.057 0.02 A 67 LEU HDx% H 1 0.333 0.02 A 67 LEU HDy% H 1 0.203 0.02 A 67 LEU C C 13 167.522 0.05 A 67 LEU CA C 13 51.200 0.05 A 67 LEU CB C 13 42.747 0.05 A 67 LEU CD1 C 13 23.666 0.05 A 67 LEU CD2 C 13 22.730 0.05 A 67 LEU N N 15 118.448 0.05 A 68 HIS H H 1 8.003 0.02 A 68 HIS HA H 1 4.890 0.02 A 68 HIS HB2 H 1 3.000 0.02 A 68 HIS HB3 H 1 2.466 0.02 A 68 HIS HD2 H 1 6.330 0.02 A 68 HIS C C 13 174.161 0.05 A 68 HIS CA C 13 52.180 0.05 A 68 HIS CB C 13 31.877 0.05 A 68 HIS N N 15 116.650 0.05 A 69 THR H H 1 8.515 0.02 A 69 THR HA H 1 4.808 0.02 A 69 THR HB H 1 4.213 0.02 A 69 THR HG21 H 1 1.188 0.02 A 69 THR HG22 H 1 1.188 0.02 A 69 THR HG23 H 1 1.188 0.02 A 69 THR C C 13 172.511 0.05 A 69 THR CA C 13 60.130 0.05 A 69 THR CB C 13 67.840 0.05 A 69 THR CG2 C 13 20.470 0.05 A 69 THR N N 15 114.721 0.05 A 70 CYS H H 1 7.731 0.02 A 70 CYS HA H 1 4.786 0.02 A 70 CYS HB2 H 1 3.098 0.02 A 70 CYS HB3 H 1 2.980 0.02 A 70 CYS C C 13 172.053 0.05 A 70 CYS CA C 13 51.950 0.05 A 70 CYS CB C 13 43.320 0.05 A 70 CYS N N 15 117.575 0.05 A 71 ASP H H 1 8.370 0.02 A 71 ASP HA H 1 4.993 0.02 A 71 ASP HB2 H 1 2.706 0.02 A 71 ASP HB3 H 1 2.400 0.02 A 71 ASP C C 13 169.692 0.05 A 71 ASP CA C 13 48.815 0.05 A 71 ASP CB C 13 40.118 0.05 A 71 ASP N N 15 120.975 0.05 A 72 PRO HA H 1 4.145 0.02 A 72 PRO HB2 H 1 1.974 0.02 A 72 PRO HB3 H 1 1.891 0.02 A 72 PRO HDx H 1 3.815 0.02 A 72 PRO HDy H 1 3.815 0.02 A 72 PRO HG2 H 1 1.870 0.02 A 72 PRO HG3 H 1 1.780 0.02 A 72 PRO CA C 13 61.360 0.05 A 72 PRO CB C 13 30.141 0.05 A 72 PRO CD C 13 48.897 0.05 A 72 PRO CG C 13 24.900 0.05 A 73 ALA H H 1 8.169 0.02 A 73 ALA HA H 1 4.247 0.02 A 73 ALA HB1 H 1 1.311 0.02 A 73 ALA HB2 H 1 1.311 0.02 A 73 ALA HB3 H 1 1.311 0.02 A 73 ALA C C 13 174.353 0.05 A 73 ALA CA C 13 50.370 0.05 A 73 ALA CB C 13 17.230 0.05 A 73 ALA N N 15 122.390 0.05 A 74 THR H H 1 7.704 0.02 A 74 THR C C 13 175.770 0.05 A 74 THR CA C 13 57.794 0.05 A 74 THR CB C 13 67.994 0.05 A 74 THR N N 15 114.834 0.05 A 75 PRO HA H 1 4.386 0.02 A 75 PRO HB2 H 1 2.231 0.02 A 75 PRO HB3 H 1 1.874 0.02 A 75 PRO HD2 H 1 3.750 0.02 A 75 PRO HD3 H 1 3.621 0.02 A 75 PRO HGx H 1 1.935 0.02 A 75 PRO HGy H 1 1.935 0.02 A 75 PRO CA C 13 61.440 0.05 A 75 PRO CB C 13 30.088 0.05 A 75 PRO CD C 13 48.997 0.05 A 75 PRO CG C 13 25.430 0.05 A 76 SER H H 1 8.209 0.02 A 76 SER HA H 1 4.373 0.02 A 76 SER HBx H 1 3.782 0.02 A 76 SER HBy H 1 3.782 0.02 A 76 SER C C 13 175.051 0.05 A 76 SER CA C 13 56.360 0.05 A 76 SER CB C 13 61.939 0.05 A 76 SER N N 15 115.319 0.05 A 77 GLY H H 1 8.124 0.02 A 77 GLY HA2 H 1 4.093 0.02 A 77 GLY HA3 H 1 3.577 0.02 A 77 GLY C C 13 173.087 0.05 A 77 GLY CA C 13 43.555 0.05 A 77 GLY N N 15 110.791 0.05 A 78 VAL H H 1 7.318 0.02 A 78 VAL HA H 1 3.989 0.02 A 78 VAL HB H 1 1.979 0.02 A 78 VAL HGx% H 1 0.785 0.02 A 78 VAL HGy% H 1 0.744 0.02 A 78 VAL C C 13 171.243 0.05 A 78 VAL CA C 13 61.449 0.05 A 78 VAL CB C 13 31.340 0.05 A 78 VAL CG1 C 13 19.600 0.05 A 78 VAL CG2 C 13 17.862 0.05 A 78 VAL N N 15 122.088 0.05 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 5 PRO HB2 A 5 PRO HA 1.0 2.39 3.17 2 2 A 5 PRO HB2 A 5 PRO HD3 1.0 2.28 4.72 3 3 A 5 PRO HB2 A 6 VAL HGy% 1.0 1.96 4.90 4 3 A 5 PRO HB2 A 6 VAL HGx% 1.0 1.96 4.90 5 4 A 5 PRO HB2 A 68 HIS HA 1.0 2.30 4.84 6 5 A 5 PRO HA A 5 PRO HB3 1.0 2.12 3.16 7 6 A 5 PRO HB2 A 5 PRO HB3 1.0 1.59 2.20 8 7 A 5 PRO HD3 A 5 PRO HB3 1.0 2.03 3.63 9 8 A 5 PRO HB3 A 5 PRO HGx 1.0 1.52 2.22 10 8 A 5 PRO HB3 A 5 PRO HGy 1.0 1.52 2.22 11 9 A 5 PRO HA A 5 PRO HD2 1.0 1.94 4.60 12 10 A 5 PRO HB2 A 5 PRO HD2 1.0 3.41 5.31 13 11 A 5 PRO HB3 A 5 PRO HD2 1.0 3.00 4.36 14 12 A 5 PRO HD3 A 5 PRO HD2 1.0 1.37 2.20 15 13 A 5 PRO HD2 A 5 PRO HGx 1.0 2.25 2.91 16 13 A 5 PRO HGy A 5 PRO HD2 1.0 2.25 2.91 17 14 A 5 PRO HD2 A 67 LEU HB2 1.0 0.00 6.00 18 15 A 5 PRO HD2 A 8 GLU HA 1.0 0.00 6.00 19 16 A 5 PRO HA A 5 PRO HD3 1.0 1.84 3.92 20 17 A 5 PRO HD3 A 67 LEU HB2 1.0 1.94 6.00 21 18 A 5 PRO HA A 5 PRO HGx 1.0 2.27 4.67 22 18 A 5 PRO HA A 5 PRO HGy 1.0 2.27 4.67 23 19 A 5 PRO HB2 A 5 PRO HGx 1.0 1.75 2.20 24 19 A 5 PRO HB2 A 5 PRO HGy 1.0 1.75 2.20 25 20 A 5 PRO HD3 A 5 PRO HGx 1.0 2.00 2.90 26 20 A 5 PRO HD3 A 5 PRO HGy 1.0 2.00 2.90 27 21 A 6 VAL HA A 10 VAL HGx% 1.0 1.94 6.00 28 22 A 6 VAL HA A 31 VAL HGy% 1.0 1.41 6.00 29 22 A 6 VAL HA A 31 VAL HGx% 1.0 1.41 6.00 30 23 A 6 VAL HA A 69 THR HB 1.0 2.41 5.67 31 24 A 6 VAL HA A 7 ALA HB1 1.0 2.43 5.89 32 25 A 6 VAL HA A 6 VAL HB 1.0 2.10 3.14 33 26 A 6 VAL HB A 6 VAL H 1.0 2.79 3.91 34 27 A 10 VAL HB A 6 VAL HGy% 1.0 2.12 3.98 35 27 A 6 VAL HGx% A 10 VAL HB 1.0 2.12 3.98 36 28 A 31 VAL HA A 6 VAL HGy% 1.0 2.43 3.95 37 28 A 6 VAL HGx% A 31 VAL HA 1.0 2.43 3.95 38 29 A 6 VAL HA A 6 VAL HGy% 1.0 2.46 3.28 39 29 A 6 VAL HGx% A 6 VAL HA 1.0 2.46 3.28 40 30 A 6 VAL HB A 6 VAL HGy% 1.0 1.75 2.41 41 30 A 6 VAL HGx% A 6 VAL HB 1.0 1.75 2.41 42 31 A 67 LEU HB3 A 6 VAL HGy% 1.0 1.50 2.52 43 31 A 6 VAL HGx% A 67 LEU HB3 1.0 1.50 2.52 44 32 A 68 HIS H A 6 VAL HGy% 1.0 2.21 3.39 45 32 A 6 VAL HGx% A 68 HIS H 1.0 2.21 3.39 46 33 A 69 THR HA A 6 VAL HGy% 1.0 2.42 3.92 47 33 A 6 VAL HGx% A 69 THR HA 1.0 2.42 3.92 48 34 A 69 THR HG21 A 6 VAL HGy% 1.0 0.00 6.00 49 34 A 6 VAL HGx% A 69 THR HG21 1.0 0.00 6.00 50 35 A 70 CYS HB2 A 6 VAL HGy% 1.0 2.82 5.28 51 35 A 6 VAL HGx% A 70 CYS HB2 1.0 2.82 5.28 52 36 A 6 VAL HGx% A 68 HIS HB3 1.0 2.99 4.33 53 37 A 6 VAL HGx% A 69 THR H 1.0 3.08 4.52 54 38 A 69 THR H A 6 VAL HGy% 1.0 0.00 6.00 55 39 A 6 VAL HA A 6 VAL H 1.0 0.00 6.00 56 40 A 6 VAL H A 6 VAL HGy% 1.0 0.00 6.00 57 40 A 6 VAL HGx% A 6 VAL H 1.0 0.00 6.00 58 41 A 6 VAL HGx% A 6 VAL H 1.0 2.23 3.43 59 42 A 6 VAL H A 6 VAL HGy% 1.0 0.00 6.00 60 43 A 68 HIS HA A 6 VAL H 1.0 0.00 6.00 61 44 A 6 VAL H A 68 HIS H 1.0 0.00 6.00 62 45 A 6 VAL H A 69 THR HG21 1.0 0.00 6.00 63 46 A 6 VAL H A 8 GLU HGx 1.0 0.00 6.00 64 46 A 6 VAL H A 8 GLU HGy 1.0 0.00 6.00 65 47 A 7 ALA HA A 6 VAL HGy% 1.0 1.94 6.00 66 47 A 6 VAL HGx% A 7 ALA HA 1.0 1.94 6.00 67 48 A 7 ALA HA A 6 VAL HGy% 1.0 2.40 5.56 68 49 A 7 ALA HA A 8 GLU HB2 1.0 2.28 4.76 69 50 A 7 ALA HA A 8 GLU HGx 1.0 2.00 5.74 70 50 A 8 GLU HGy A 7 ALA HA 1.0 2.00 5.74 71 51 A 7 ALA HB1 A 29 VAL HGy% 1.0 1.97 3.43 72 52 A 7 ALA HB1 A 67 LEU HDy% 1.0 2.43 5.83 73 53 A 7 ALA HB1 A 7 ALA HA 1.0 2.10 2.66 74 54 A 8 GLU HA A 7 ALA HB1 1.0 2.91 5.67 75 55 A 7 ALA HB1 A 8 GLU H 1.0 2.61 3.57 76 56 A 7 ALA H A 10 VAL H 1.0 0.00 6.00 77 57 A 6 VAL HA A 7 ALA H 1.0 0.00 6.00 78 58 A 7 ALA H A 6 VAL HGy% 1.0 0.00 6.00 79 58 A 6 VAL HGx% A 7 ALA H 1.0 0.00 6.00 80 59 A 7 ALA H A 6 VAL HGy% 1.0 0.00 6.00 81 60 A 6 VAL H A 7 ALA H 1.0 0.00 6.00 82 61 A 69 THR HG21 A 7 ALA H 1.0 0.00 6.00 83 62 A 7 ALA HA A 7 ALA H 1.0 0.00 6.00 84 63 A 7 ALA HB1 A 7 ALA H 1.0 0.00 6.00 85 64 A 10 VAL HGx% A 8 GLU HB2 1.0 2.45 6.00 86 65 A 8 GLU HA A 8 GLU HB2 1.0 2.21 3.39 87 66 A 8 GLU HB2 A 8 GLU HB3 1.0 1.43 2.20 88 67 A 8 GLU HB2 A 8 GLU HGx 1.0 1.73 2.20 89 67 A 8 GLU HGy A 8 GLU HB2 1.0 1.73 2.20 90 68 A 8 GLU HB2 A 9 CYS HA 1.0 2.39 5.53 91 69 A 8 GLU HA A 8 GLU HB3 1.0 2.11 2.69 92 70 A 8 GLU HB3 A 9 CYS HA 1.0 2.39 5.51 93 71 A 7 ALA HB1 A 8 GLU HGx 1.0 2.75 5.03 94 71 A 7 ALA HB1 A 8 GLU HGy 1.0 2.75 5.03 95 72 A 8 GLU HA A 8 GLU HGx 1.0 2.26 3.50 96 72 A 8 GLU HA A 8 GLU HGy 1.0 2.26 3.50 97 73 A 8 GLU HB3 A 8 GLU HGx 1.0 1.99 2.87 98 73 A 8 GLU HGy A 8 GLU HB3 1.0 1.99 2.87 99 74 A 8 GLU H A 8 GLU HGx 1.0 2.74 3.80 100 74 A 8 GLU HGy A 8 GLU H 1.0 2.74 3.80 101 75 A 8 GLU H A 10 VAL H 1.0 2.36 5.24 102 76 A 8 GLU H A 6 VAL HGy% 1.0 2.44 5.94 103 76 A 6 VAL HGx% A 8 GLU H 1.0 2.44 5.94 104 77 A 7 ALA HA A 8 GLU H 1.0 1.92 3.26 105 78 A 8 GLU H A 7 ALA H 1.0 2.75 3.83 106 79 A 8 GLU HA A 8 GLU H 1.0 2.34 3.70 107 80 A 8 GLU HB2 A 8 GLU H 1.0 2.86 4.06 108 81 A 8 GLU H A 8 GLU HB3 1.0 2.87 4.09 109 82 A 24 GLY H A 9 CYS HBx 1.0 2.26 4.62 110 82 A 9 CYS HBy A 24 GLY H 1.0 2.26 4.62 111 83 A 25 CYS HB3 A 9 CYS HBx 1.0 2.83 4.01 112 83 A 9 CYS HBy A 25 CYS HB3 1.0 2.83 4.01 113 84 A 9 CYS HA A 9 CYS HBx 1.0 2.37 3.13 114 84 A 9 CYS HA A 9 CYS HBy 1.0 2.37 3.13 115 85 A 10 VAL HB A 9 CYS H 1.0 2.41 5.71 116 86 A 10 VAL HGx% A 9 CYS H 1.0 3.17 4.75 117 87 A 9 CYS H A 25 CYS HB2 1.0 3.08 4.54 118 88 A 25 CYS HB3 A 9 CYS H 1.0 3.08 6.00 119 89 A 7 ALA HA A 9 CYS H 1.0 3.03 4.41 120 90 A 7 ALA HB1 A 9 CYS H 1.0 2.54 3.44 121 91 A 8 GLU HA A 9 CYS H 1.0 2.87 4.07 122 92 A 8 GLU HB3 A 9 CYS H 1.0 3.35 5.17 123 93 A 9 CYS H A 8 GLU HGx 1.0 3.18 4.74 124 93 A 8 GLU HGy A 9 CYS H 1.0 3.18 4.74 125 94 A 8 GLU H A 9 CYS H 1.0 2.69 3.73 126 95 A 9 CYS HA A 9 CYS H 1.0 2.42 3.22 127 96 A 9 CYS H A 9 CYS HBx 1.0 2.53 3.41 128 96 A 9 CYS HBy A 9 CYS H 1.0 2.53 3.41 129 97 A 10 VAL HA A 11 GLU HA 1.0 2.35 5.21 130 98 A 10 VAL HA A 31 VAL HGy% 1.0 2.47 6.00 131 98 A 31 VAL HGx% A 10 VAL HA 1.0 2.47 6.00 132 99 A 10 VAL HB A 10 VAL HA 1.0 1.98 3.46 133 100 A 10 VAL HGx% A 10 VAL HB 1.0 2.06 2.60 134 101 A 10 VAL HB A 10 VAL H 1.0 2.68 3.68 135 102 A 10 VAL HB A 67 LEU HDx% 1.0 3.37 5.21 136 103 A 10 VAL HB A 67 LEU HDy% 1.0 1.84 6.00 137 104 A 7 ALA HB1 A 10 VAL HB 1.0 2.68 4.76 138 105 A 10 VAL HGx% A 10 VAL HA 1.0 1.81 2.93 139 106 A 10 VAL HGx% A 10 VAL HGy% 1.0 1.69 2.29 140 107 A 10 VAL HGx% A 10 VAL H 1.0 1.86 2.62 141 108 A 10 VAL HGx% A 23 ASN HA 1.0 2.59 3.53 142 109 A 10 VAL HGx% A 24 GLY H 1.0 2.95 4.23 143 110 A 10 VAL HGx% A 29 VAL HGx% 1.0 2.03 3.65 144 111 A 10 VAL HGx% A 31 VAL HGy% 1.0 1.50 2.20 145 111 A 10 VAL HGx% A 31 VAL HGx% 1.0 1.50 2.20 146 112 A 67 LEU HB2 A 10 VAL HGx% 1.0 2.46 6.00 147 113 A 10 VAL HGx% A 67 LEU HDx% 1.0 2.31 4.99 148 114 A 10 VAL HGx% A 67 LEU HDy% 1.0 2.39 5.53 149 115 A 10 VAL HGx% A 7 ALA HA 1.0 2.48 6.00 150 116 A 10 VAL HGx% A 7 ALA HB1 1.0 2.05 2.59 151 117 A 10 VAL HGx% A 9 CYS HBx 1.0 1.93 4.55 152 117 A 10 VAL HGx% A 9 CYS HBy 1.0 1.93 4.55 153 118 A 10 VAL HA A 10 VAL HGy% 1.0 2.68 3.68 154 119 A 10 VAL HB A 10 VAL HGy% 1.0 2.12 2.70 155 120 A 11 GLU HA A 10 VAL HGy% 1.0 2.84 4.02 156 121 A 10 VAL HGy% A 12 TYR HBy 1.0 2.91 5.67 157 121 A 10 VAL HGy% A 12 TYR HBx 1.0 2.91 5.67 158 122 A 10 VAL HGy% A 12 TYR HD% 1.0 3.42 5.34 159 123 A 10 VAL HGy% A 19 THR HG21 1.0 0.00 6.00 160 124 A 10 VAL HGy% A 21 VAL HA 1.0 2.83 4.01 161 125 A 10 VAL HGy% A 21 VAL HGy% 1.0 1.41 2.20 162 126 A 10 VAL HGy% A 22 HIS HBy 1.0 3.03 6.00 163 126 A 10 VAL HGy% A 22 HIS HBx 1.0 3.03 6.00 164 127 A 10 VAL HGy% A 31 VAL HGy% 1.0 1.59 2.20 165 127 A 31 VAL HGx% A 10 VAL HGy% 1.0 1.59 2.20 166 128 A 10 VAL HGy% A 52 ALA HB1 1.0 2.63 4.57 167 129 A 10 VAL HGy% A 52 ALA H 1.0 3.62 5.86 168 130 A 10 VAL HGy% A 54 PHE HD% 1.0 2.43 5.89 169 131 A 10 VAL H A 10 VAL HA 1.0 2.16 3.26 170 132 A 10 VAL H A 10 VAL HGy% 1.0 2.96 4.26 171 133 A 7 ALA HA A 10 VAL H 1.0 3.00 6.00 172 134 A 7 ALA HB1 A 10 VAL H 1.0 3.09 4.55 173 135 A 8 GLU HA A 10 VAL H 1.0 2.37 3.81 174 136 A 10 VAL H A 9 CYS HA 1.0 2.07 3.77 175 137 A 10 VAL H A 9 CYS HBx 1.0 2.24 4.54 176 137 A 10 VAL H A 9 CYS HBy 1.0 2.24 4.54 177 138 A 10 VAL H A 9 CYS H 1.0 2.23 2.87 178 139 A 11 GLU HA A 11 GLU HGy 1.0 2.29 4.77 179 140 A 11 GLU HA A 11 GLU HGx 1.0 2.00 3.54 180 141 A 11 GLU HA A 12 TYR HD% 1.0 1.82 6.00 181 142 A 5 PRO HD2 A 11 GLU HA 1.0 0.00 6.00 182 143 A 11 GLU HA A 11 GLU HBx 1.0 2.17 3.29 183 143 A 11 GLU HA A 11 GLU HBy 1.0 2.17 3.29 184 144 A 11 GLU HGy A 11 GLU HBx 1.0 1.88 2.32 185 144 A 11 GLU HGy A 11 GLU HBy 1.0 1.88 2.32 186 145 A 11 GLU H A 11 GLU HBx 1.0 2.60 3.56 187 145 A 11 GLU HBy A 11 GLU H 1.0 2.60 3.56 188 146 A 12 TYR H A 11 GLU HBx 1.0 3.21 4.81 189 146 A 11 GLU HBy A 12 TYR H 1.0 3.21 4.81 190 147 A 11 GLU HBy A 22 HIS HBy 1.0 0.00 6.00 191 147 A 11 GLU HBx A 22 HIS HBy 1.0 0.00 6.00 192 147 A 22 HIS HBx A 11 GLU HBx 1.0 0.00 6.00 193 147 A 22 HIS HBx A 11 GLU HBy 1.0 0.00 6.00 194 148 A 11 GLU HBy A 22 HIS HBy 1.0 2.39 5.53 195 148 A 11 GLU HBx A 22 HIS HBy 1.0 2.39 5.53 196 148 A 22 HIS HBx A 11 GLU HBx 1.0 2.39 5.53 197 148 A 22 HIS HBx A 11 GLU HBy 1.0 2.39 5.53 198 149 A 9 CYS HA A 11 GLU HBx 1.0 0.00 6.00 199 149 A 9 CYS HA A 11 GLU HBy 1.0 0.00 6.00 200 150 A 11 GLU HGy A 11 GLU HGx 1.0 1.57 2.20 201 151 A 11 GLU HGx A 11 GLU HBx 1.0 1.97 2.85 202 151 A 11 GLU HGx A 11 GLU HBy 1.0 1.97 2.85 203 152 A 11 GLU HGx A 11 GLU H 1.0 3.19 4.77 204 153 A 10 VAL HA A 11 GLU H 1.0 1.93 2.41 205 154 A 10 VAL HGx% A 11 GLU H 1.0 3.18 4.76 206 155 A 10 VAL HGy% A 11 GLU H 1.0 2.40 3.18 207 156 A 10 VAL H A 11 GLU H 1.0 3.18 6.00 208 157 A 11 GLU HA A 11 GLU H 1.0 2.20 2.84 209 158 A 11 GLU HGy A 11 GLU H 1.0 2.67 4.75 210 159 A 11 GLU H A 12 TYR H 1.0 3.14 4.68 211 160 A 11 GLU H A 23 ASN HB2 1.0 2.50 6.00 212 161 A 24 GLY H A 11 GLU H 1.0 2.45 6.00 213 162 A 11 GLU H A 51 TRP HD1 1.0 0.00 6.00 214 163 A 67 LEU HDx% A 11 GLU H 1.0 2.45 6.00 215 164 A 12 TYR HA A 12 TYR HBy 1.0 2.13 2.73 216 164 A 12 TYR HBx A 12 TYR HA 1.0 2.13 2.73 217 165 A 12 TYR HD% A 12 TYR HA 1.0 2.71 4.87 218 166 A 12 TYR HA A 19 THR HA 1.0 3.02 6.00 219 167 A 19 THR HG21 A 12 TYR HA 1.0 3.49 5.53 220 168 A 12 TYR HA A 20 ASP HB2 1.0 2.23 4.47 221 169 A 12 TYR HA A 20 ASP HB3 1.0 2.44 6.00 222 170 A 21 VAL HA A 12 TYR HA 1.0 1.84 2.58 223 171 A 12 TYR HA A 21 VAL HGx% 1.0 2.97 4.27 224 172 A 12 TYR HA A 22 HIS H 1.0 3.11 4.61 225 173 A 67 LEU HDx% A 12 TYR HA 1.0 2.50 6.00 226 174 A 67 LEU HDy% A 12 TYR HA 1.0 2.50 6.00 227 175 A 12 TYR HD% A 12 TYR HBy 1.0 2.17 2.79 228 175 A 12 TYR HBx A 12 TYR HD% 1.0 2.17 2.79 229 176 A 12 TYR HE% A 12 TYR HBy 1.0 3.19 4.77 230 176 A 12 TYR HBx A 12 TYR HE% 1.0 3.19 4.77 231 177 A 21 VAL HA A 12 TYR HBy 1.0 2.44 3.26 232 177 A 12 TYR HBx A 21 VAL HA 1.0 2.44 3.26 233 178 A 21 VAL HGx% A 12 TYR HBy 1.0 2.27 2.95 234 178 A 12 TYR HBx A 21 VAL HGx% 1.0 2.27 2.95 235 179 A 33 VAL HGy% A 12 TYR HBy 1.0 1.63 6.00 236 180 A 12 TYR HD% A 11 GLU HBx 1.0 3.13 6.00 237 180 A 12 TYR HD% A 11 GLU HBy 1.0 3.13 6.00 238 181 A 12 TYR HD% A 12 TYR H 1.0 2.59 3.51 239 182 A 12 TYR HD% A 13 PHE HA 1.0 3.15 4.69 240 183 A 12 TYR HD% A 19 THR HG21 1.0 2.38 3.14 241 184 A 12 TYR HD% A 21 VAL HA 1.0 1.95 6.00 242 185 A 12 TYR HD% A 21 VAL HGx% 1.0 2.96 4.26 243 186 A 12 TYR HD% A 21 VAL HGy% 1.0 2.90 5.64 244 187 A 12 TYR HD% A 31 VAL HGy% 1.0 3.15 6.00 245 187 A 31 VAL HGx% A 12 TYR HD% 1.0 3.15 6.00 246 188 A 12 TYR HD% A 31 VAL HGy% 1.0 1.68 6.00 247 189 A 12 TYR HD% A 33 VAL HGx% 1.0 2.36 5.30 248 190 A 12 TYR HD% A 64 VAL HB 1.0 2.90 5.64 249 191 A 12 TYR HD% A 64 VAL HGx% 1.0 3.21 4.83 250 192 A 12 TYR HD% A 64 VAL HGy% 1.0 2.44 3.98 251 193 A 12 TYR HD% A 66 GLY HA3 1.0 2.49 6.00 252 194 A 67 LEU HDx% A 12 TYR HD% 1.0 2.47 3.31 253 195 A 67 LEU HDy% A 12 TYR HD% 1.0 2.88 4.10 254 196 A 12 TYR H A 12 TYR HE% 1.0 3.28 5.00 255 197 A 19 THR HG21 A 12 TYR HE% 1.0 2.00 6.00 256 198 A 12 TYR HE% A 33 VAL HGx% 1.0 2.39 5.51 257 199 A 12 TYR HE% A 64 VAL HB 1.0 3.00 4.36 258 200 A 12 TYR HE% A 64 VAL HGx% 1.0 3.49 5.51 259 201 A 12 TYR HE% A 64 VAL HGy% 1.0 2.22 3.42 260 202 A 12 TYR HE% A 66 GLY HA3 1.0 2.77 5.09 261 203 A 12 TYR HE% A 67 LEU HA 1.0 3.30 5.02 262 204 A 67 LEU HDx% A 12 TYR HE% 1.0 2.87 4.07 263 205 A 67 LEU HDy% A 12 TYR HE% 1.0 3.34 5.12 264 206 A 10 VAL HGy% A 12 TYR H 1.0 2.48 6.00 265 207 A 11 GLU HA A 12 TYR H 1.0 2.24 2.90 266 208 A 11 GLU HGy A 12 TYR H 1.0 3.16 6.00 267 209 A 11 GLU HGx A 12 TYR H 1.0 2.30 4.92 268 210 A 12 TYR H A 12 TYR HA 1.0 2.83 4.01 269 211 A 12 TYR H A 12 TYR HBy 1.0 2.17 4.19 270 211 A 12 TYR HBx A 12 TYR H 1.0 2.17 4.19 271 212 A 12 TYR HA A 13 PHE H 1.0 2.23 2.89 272 213 A 13 PHE H A 12 TYR HBy 1.0 2.16 3.26 273 213 A 12 TYR HBx A 13 PHE H 1.0 2.16 3.26 274 214 A 12 TYR HD% A 13 PHE H 1.0 3.12 4.62 275 215 A 12 TYR H A 13 PHE H 1.0 2.50 6.00 276 216 A 13 PHE HA A 13 PHE H 1.0 2.73 3.79 277 217 A 19 THR HG21 A 13 PHE H 1.0 3.30 5.06 278 218 A 20 ASP HB2 A 13 PHE H 1.0 2.43 5.95 279 219 A 20 ASP HB3 A 13 PHE H 1.0 3.03 6.00 280 220 A 21 VAL HA A 13 PHE H 1.0 2.38 5.44 281 221 A 21 VAL HGx% A 13 PHE H 1.0 3.09 6.00 282 222 A 21 VAL HGy% A 13 PHE H 1.0 2.46 6.00 283 223 A 14 GLN HA A 14 GLN HBx 1.0 2.18 4.22 284 223 A 14 GLN HA A 14 GLN HBy 1.0 2.18 4.22 285 224 A 14 GLN HA A 15 SER H 1.0 2.19 3.33 286 225 A 14 GLN HA A 18 TYR HB3 1.0 3.20 4.80 287 226 A 19 THR HA A 14 GLN HA 1.0 2.26 2.94 288 227 A 19 THR HG21 A 14 GLN HA 1.0 3.25 4.93 289 228 A 57 TYR HA A 14 GLN HBx 1.0 2.47 6.00 290 228 A 14 GLN HBy A 57 TYR HA 1.0 2.47 6.00 291 229 A 15 SER H A 14 GLN HBx 1.0 2.37 5.37 292 229 A 14 GLN HBy A 15 SER H 1.0 2.37 5.37 293 230 A 15 SER H A 15 SER HA 1.0 2.26 4.62 294 231 A 15 SER H A 15 SER HBx 1.0 2.10 3.88 295 231 A 15 SER H A 15 SER HBy 1.0 2.10 3.88 296 232 A 15 SER H A 18 TYR HB3 1.0 2.31 4.89 297 233 A 15 SER H A 18 TYR H 1.0 2.29 4.79 298 234 A 19 THR HA A 15 SER H 1.0 3.44 5.38 299 235 A 15 SER H A 19 THR HB 1.0 2.49 6.00 300 236 A 19 THR HG21 A 15 SER H 1.0 2.50 6.00 301 237 A 18 TYR HA A 18 TYR HB2 1.0 2.63 3.59 302 238 A 19 THR HB A 18 TYR HA 1.0 3.26 6.00 303 239 A 18 TYR HA A 55 ALA HA 1.0 3.00 4.36 304 240 A 18 TYR HA A 56 GLY HA3 1.0 3.33 5.11 305 241 A 18 TYR HA A 56 GLY HA2 1.0 3.25 4.91 306 242 A 18 TYR HB2 A 53 THR HG21 1.0 2.48 6.00 307 243 A 18 TYR HB3 A 18 TYR HA 1.0 2.87 4.09 308 244 A 18 TYR HB3 A 18 TYR HB2 1.0 1.82 2.22 309 245 A 18 TYR HB3 A 19 THR H 1.0 3.12 4.62 310 246 A 18 TYR HA A 18 TYR HD% 1.0 2.38 5.44 311 247 A 18 TYR HB2 A 18 TYR HD% 1.0 2.29 4.81 312 248 A 18 TYR HB3 A 18 TYR HD% 1.0 2.40 3.88 313 249 A 18 TYR HD% A 20 ASP HA 1.0 3.11 4.59 314 250 A 18 TYR HD% A 20 ASP H 1.0 2.85 5.39 315 251 A 18 TYR HD% A 51 TRP HE3 1.0 2.82 3.98 316 252 A 18 TYR HB3 A 18 TYR HE% 1.0 3.54 5.64 317 253 A 20 ASP HA A 18 TYR HE% 1.0 3.17 6.00 318 254 A 51 TRP HE3 A 18 TYR HE% 1.0 2.72 3.78 319 255 A 18 TYR HE% A 52 ALA HA 1.0 3.13 6.00 320 256 A 15 SER HA A 18 TYR H 1.0 2.98 6.00 321 257 A 18 TYR H A 18 TYR HA 1.0 2.49 3.33 322 258 A 18 TYR H A 18 TYR HB2 1.0 2.44 3.24 323 259 A 18 TYR HB3 A 18 TYR H 1.0 2.48 3.32 324 260 A 18 TYR H A 18 TYR HD% 1.0 2.46 6.00 325 261 A 19 THR HA A 18 TYR H 1.0 2.90 5.62 326 262 A 18 TYR H A 53 THR HG21 1.0 0.00 6.00 327 263 A 18 TYR H A 55 ALA HA 1.0 3.43 5.35 328 264 A 18 TYR H A 56 GLY HA3 1.0 2.50 6.00 329 265 A 18 TYR H A 56 GLY HA2 1.0 2.20 4.30 330 266 A 18 TYR H A 57 TYR H 1.0 2.35 5.17 331 267 A 19 THR HA A 19 THR HB 1.0 1.88 4.22 332 268 A 19 THR HB A 54 PHE HB3 1.0 1.95 4.79 333 269 A 19 THR HB A 54 PHE HE% 1.0 1.83 6.00 334 270 A 19 THR HG21 A 12 TYR HBy 1.0 1.92 2.72 335 270 A 12 TYR HBx A 19 THR HG21 1.0 1.92 2.72 336 271 A 19 THR HG21 A 14 GLN HBx 1.0 3.15 4.69 337 271 A 19 THR HG21 A 14 GLN HBy 1.0 3.15 4.69 338 272 A 19 THR HG21 A 19 THR HA 1.0 2.55 3.45 339 273 A 19 THR HG21 A 19 THR HB 1.0 2.18 2.80 340 274 A 19 THR HG21 A 21 VAL HA 1.0 3.01 6.00 341 275 A 19 THR HG21 A 21 VAL HGy% 1.0 2.77 5.09 342 276 A 19 THR HG21 A 33 VAL HGy% 1.0 2.97 4.29 343 277 A 19 THR HG21 A 54 PHE HB3 1.0 3.13 6.00 344 278 A 19 THR HG21 A 54 PHE HE% 1.0 3.60 5.80 345 279 A 67 LEU HDx% A 19 THR HG21 1.0 2.43 5.99 346 280 A 67 LEU HDy% A 19 THR HG21 1.0 2.73 4.91 347 281 A 18 TYR HA A 19 THR H 1.0 2.35 3.09 348 282 A 18 TYR HB2 A 19 THR H 1.0 3.28 4.98 349 283 A 18 TYR H A 19 THR H 1.0 3.13 4.63 350 284 A 19 THR HA A 19 THR H 1.0 2.90 4.14 351 285 A 19 THR HB A 19 THR H 1.0 2.31 3.65 352 286 A 19 THR HG21 A 19 THR H 1.0 3.17 6.00 353 287 A 19 THR H A 54 PHE H 1.0 2.55 4.33 354 288 A 55 ALA HA A 19 THR H 1.0 2.93 4.19 355 289 A 56 GLY HA3 A 19 THR H 1.0 0.00 6.00 356 290 A 56 GLY HA2 A 19 THR H 1.0 2.38 5.44 357 291 A 19 THR H A 57 TYR H 1.0 2.49 6.00 358 292 A 20 ASP HA A 53 THR HA 1.0 2.55 3.45 359 293 A 20 ASP HB2 A 20 ASP HA 1.0 2.59 4.43 360 294 A 20 ASP HB2 A 20 ASP HB3 1.0 1.66 2.24 361 295 A 20 ASP HB2 A 51 TRP HE3 1.0 2.89 4.11 362 296 A 20 ASP HB2 A 51 TRP HZ2 1.0 2.72 3.78 363 297 A 20 ASP HB3 A 20 ASP HA 1.0 1.89 4.27 364 298 A 20 ASP HB3 A 51 TRP HE3 1.0 2.92 4.20 365 299 A 20 ASP H A 12 TYR HBy 1.0 2.81 5.23 366 299 A 12 TYR HBx A 20 ASP H 1.0 2.81 5.23 367 300 A 20 ASP H A 15 SER HBx 1.0 0.00 6.00 368 300 A 15 SER HBy A 20 ASP H 1.0 0.00 6.00 369 301 A 18 TYR H A 20 ASP H 1.0 2.45 6.00 370 302 A 19 THR HA A 20 ASP H 1.0 2.09 3.11 371 303 A 19 THR HG21 A 20 ASP H 1.0 2.93 4.19 372 304 A 19 THR H A 20 ASP H 1.0 2.43 5.95 373 305 A 20 ASP HA A 20 ASP H 1.0 2.84 4.02 374 306 A 20 ASP HB2 A 20 ASP H 1.0 3.16 4.70 375 307 A 20 ASP HB3 A 20 ASP H 1.0 2.85 4.03 376 308 A 20 ASP H A 21 VAL H 1.0 3.42 5.34 377 309 A 20 ASP H A 53 THR HA 1.0 2.45 6.00 378 310 A 20 ASP H A 54 PHE HB2 1.0 0.00 6.00 379 311 A 21 VAL HA A 21 VAL HB 1.0 1.51 2.53 380 312 A 67 LEU HDx% A 21 VAL HA 1.0 1.91 6.00 381 313 A 67 LEU HDy% A 21 VAL HA 1.0 1.81 6.00 382 314 A 12 TYR HA A 21 VAL HB 1.0 2.91 5.69 383 315 A 21 VAL HB A 12 TYR HBy 1.0 2.12 2.70 384 315 A 12 TYR HBx A 21 VAL HB 1.0 2.12 2.70 385 316 A 52 ALA H A 21 VAL HB 1.0 3.31 5.07 386 317 A 19 THR HG21 A 21 VAL HGx% 1.0 1.76 2.40 387 318 A 21 VAL HA A 21 VAL HGx% 1.0 2.55 3.45 388 319 A 21 VAL HGx% A 21 VAL HB 1.0 1.97 2.47 389 320 A 21 VAL HGx% A 21 VAL H 1.0 2.09 3.11 390 321 A 21 VAL HGx% A 33 VAL HGx% 1.0 2.12 3.98 391 322 A 21 VAL HGx% A 33 VAL HGy% 1.0 2.23 4.47 392 323 A 54 PHE HD% A 21 VAL HGx% 1.0 1.92 2.72 393 324 A 21 VAL HGx% A 54 PHE HE% 1.0 1.97 2.85 394 325 A 67 LEU HB2 A 21 VAL HGx% 1.0 1.98 6.00 395 326 A 67 LEU HDx% A 21 VAL HGx% 1.0 2.14 4.06 396 327 A 67 LEU HDy% A 21 VAL HGx% 1.0 1.86 3.06 397 328 A 21 VAL HGy% A 12 TYR HA 1.0 3.49 5.53 398 329 A 21 VAL HGy% A 12 TYR HBy 1.0 3.05 4.45 399 329 A 12 TYR HBx A 21 VAL HGy% 1.0 3.05 4.45 400 330 A 21 VAL HA A 21 VAL HGy% 1.0 2.31 3.03 401 331 A 21 VAL HGy% A 21 VAL HB 1.0 2.11 2.69 402 332 A 21 VAL HGy% A 21 VAL HGx% 1.0 1.55 2.27 403 333 A 21 VAL HGy% A 33 VAL HGy% 1.0 1.62 6.00 404 334 A 21 VAL HGy% A 46 ILE HA 1.0 2.95 5.85 405 335 A 21 VAL HGy% A 51 TRP HA 1.0 2.59 4.47 406 336 A 21 VAL H A 12 TYR HBy 1.0 2.39 5.53 407 336 A 12 TYR HBx A 21 VAL H 1.0 2.39 5.53 408 337 A 13 PHE H A 21 VAL H 1.0 3.28 5.00 409 338 A 19 THR HG21 A 21 VAL H 1.0 2.37 5.37 410 339 A 20 ASP HA A 21 VAL H 1.0 2.19 2.81 411 340 A 20 ASP HB2 A 21 VAL H 1.0 3.08 4.52 412 341 A 20 ASP HB3 A 21 VAL H 1.0 3.59 5.81 413 342 A 21 VAL HA A 21 VAL H 1.0 2.69 3.71 414 343 A 21 VAL H A 21 VAL HB 1.0 2.63 3.61 415 344 A 21 VAL HGy% A 21 VAL H 1.0 3.07 4.51 416 345 A 21 VAL H A 22 HIS HA 1.0 2.43 5.81 417 346 A 52 ALA HB1 A 21 VAL H 1.0 3.19 6.00 418 347 A 52 ALA H A 21 VAL H 1.0 2.20 2.84 419 348 A 53 THR HA A 21 VAL H 1.0 2.95 4.23 420 349 A 54 PHE HD% A 21 VAL H 1.0 2.39 5.57 421 350 A 22 HIS HA A 22 HIS HBy 1.0 2.01 3.55 422 350 A 22 HIS HBx A 22 HIS HA 1.0 2.01 3.55 423 351 A 22 HIS HA A 23 ASN HB3 1.0 2.47 6.00 424 352 A 22 HIS HA A 31 VAL HGy% 1.0 0.00 6.00 425 352 A 31 VAL HGx% A 22 HIS HA 1.0 0.00 6.00 426 353 A 11 GLU H A 22 HIS HBy 1.0 3.00 4.36 427 353 A 22 HIS HBx A 11 GLU H 1.0 3.00 4.36 428 354 A 22 HIS HD2 A 11 GLU HBx 1.0 2.38 5.48 429 354 A 11 GLU HBy A 22 HIS HD2 1.0 2.38 5.48 430 355 A 11 GLU HGy A 22 HIS HD2 1.0 2.82 5.30 431 356 A 20 ASP HB2 A 22 HIS HD2 1.0 1.95 4.87 432 357 A 22 HIS HD2 A 22 HIS HBy 1.0 1.96 5.00 433 357 A 22 HIS HBx A 22 HIS HD2 1.0 1.96 5.00 434 358 A 51 TRP HA A 22 HIS HD2 1.0 1.95 6.00 435 359 A 22 HIS HD2 A 51 TRP HB3 1.0 1.99 6.00 436 360 A 10 VAL HGy% A 22 HIS H 1.0 3.13 4.65 437 361 A 22 HIS H A 11 GLU HBx 1.0 2.81 5.23 438 361 A 11 GLU HBy A 22 HIS H 1.0 2.81 5.23 439 362 A 11 GLU H A 22 HIS H 1.0 2.72 3.76 440 363 A 22 HIS H A 12 TYR HBy 1.0 3.56 5.70 441 364 A 22 HIS H A 20 ASP HA 1.0 2.35 5.17 442 365 A 21 VAL HA A 22 HIS H 1.0 2.06 2.60 443 366 A 22 HIS H A 21 VAL HB 1.0 3.22 6.00 444 367 A 21 VAL HGx% A 22 HIS H 1.0 3.31 5.07 445 368 A 21 VAL HGy% A 22 HIS H 1.0 2.52 3.40 446 369 A 22 HIS H A 21 VAL H 1.0 3.10 6.00 447 370 A 22 HIS H A 22 HIS HA 1.0 2.72 3.78 448 371 A 22 HIS H A 22 HIS HBy 1.0 2.44 3.24 449 371 A 22 HIS HBx A 22 HIS H 1.0 2.44 3.24 450 372 A 22 HIS H A 51 TRP HZ2 1.0 3.19 6.00 451 373 A 10 VAL HB A 23 ASN HA 1.0 2.31 4.91 452 374 A 10 VAL HGy% A 23 ASN HA 1.0 2.34 5.10 453 375 A 23 ASN HA A 21 VAL HA 1.0 0.00 6.00 454 376 A 23 ASN HA A 21 VAL HGy% 1.0 2.26 4.64 455 377 A 23 ASN HA A 46 ILE HB 1.0 2.42 5.84 456 378 A 10 VAL HGy% A 23 ASN HB2 1.0 2.85 5.43 457 379 A 23 ASN HA A 23 ASN HB2 1.0 2.27 2.95 458 380 A 23 ASN HB2 A 46 ILE HB 1.0 2.77 3.87 459 381 A 23 ASN HB2 A 46 ILE HG1x 1.0 2.23 2.89 460 381 A 23 ASN HB2 A 46 ILE HG1y 1.0 2.23 2.89 461 382 A 10 VAL HGy% A 23 ASN HB3 1.0 3.54 5.64 462 383 A 23 ASN HA A 23 ASN HB3 1.0 2.49 3.33 463 384 A 23 ASN HB2 A 23 ASN HB3 1.0 1.78 2.20 464 385 A 23 ASN HB3 A 46 ILE HB 1.0 2.36 5.24 465 386 A 21 VAL HB A 23 ASN H 1.0 0.00 6.00 466 387 A 21 VAL HGy% A 23 ASN H 1.0 0.00 6.00 467 388 A 22 HIS HA A 23 ASN H 1.0 2.19 2.81 468 389 A 23 ASN H A 22 HIS HBy 1.0 2.47 6.00 469 389 A 22 HIS HBx A 23 ASN H 1.0 2.47 6.00 470 390 A 22 HIS H A 23 ASN H 1.0 2.48 6.00 471 391 A 23 ASN HA A 23 ASN H 1.0 2.23 2.87 472 392 A 23 ASN HB2 A 23 ASN H 1.0 2.06 3.76 473 393 A 23 ASN HB3 A 23 ASN H 1.0 1.91 3.23 474 394 A 24 GLY H A 23 ASN H 1.0 3.34 5.14 475 395 A 46 ILE HB A 23 ASN H 1.0 2.50 6.00 476 396 A 23 ASN H A 46 ILE HG1x 1.0 2.86 4.06 477 396 A 46 ILE HG1y A 23 ASN H 1.0 2.86 4.06 478 397 A 23 ASN H A 46 ILE HG21 1.0 3.49 5.53 479 398 A 23 ASN H A 48 PRO HA 1.0 2.47 6.00 480 399 A 23 ASN H A 50 GLY HA3 1.0 2.74 4.94 481 400 A 23 ASN H A 50 GLY HA2 1.0 3.13 4.63 482 401 A 52 ALA H A 23 ASN H 1.0 2.50 6.00 483 402 A 24 GLY HA3 A 48 PRO HB2 1.0 2.46 6.00 484 403 A 24 GLY HA3 A 24 GLY HA2 1.0 1.77 2.20 485 404 A 24 GLY HA2 A 9 CYS HBx 1.0 2.39 5.47 486 404 A 9 CYS HBy A 24 GLY HA2 1.0 2.39 5.47 487 405 A 10 VAL HB A 24 GLY H 1.0 2.48 6.00 488 406 A 24 GLY H A 10 VAL HGy% 1.0 3.11 6.00 489 407 A 24 GLY H A 23 ASN HA 1.0 1.95 2.43 490 408 A 24 GLY H A 23 ASN HB2 1.0 2.17 4.21 491 409 A 24 GLY H A 23 ASN HB3 1.0 2.22 4.40 492 410 A 24 GLY H A 24 GLY HA3 1.0 2.67 3.69 493 411 A 24 GLY H A 24 GLY HA2 1.0 2.34 3.06 494 412 A 24 GLY H A 25 CYS HA 1.0 0.00 6.00 495 413 A 24 GLY H A 25 CYS HB2 1.0 3.17 6.00 496 414 A 24 GLY H A 25 CYS HB3 1.0 2.83 5.29 497 415 A 24 GLY H A 9 CYS H 1.0 2.49 6.00 498 416 A 25 CYS HA A 26 ALA HA 1.0 2.36 5.30 499 417 A 25 CYS HA A 9 CYS HBx 1.0 2.01 3.55 500 417 A 9 CYS HBy A 25 CYS HA 1.0 2.01 3.55 501 418 A 25 CYS HB2 A 25 CYS HA 1.0 2.44 3.24 502 419 A 25 CYS HB3 A 25 CYS HB2 1.0 1.71 2.20 503 420 A 25 CYS HB2 A 26 ALA HB1 1.0 3.13 6.00 504 421 A 7 ALA HB1 A 25 CYS HB2 1.0 2.00 6.00 505 422 A 25 CYS HB2 A 9 CYS HBx 1.0 2.15 4.13 506 422 A 9 CYS HBy A 25 CYS HB2 1.0 2.15 4.13 507 423 A 10 VAL HGx% A 25 CYS HB3 1.0 2.50 6.00 508 424 A 25 CYS HB3 A 25 CYS HA 1.0 2.16 2.76 509 425 A 25 CYS HB3 A 26 ALA HB1 1.0 3.14 4.66 510 426 A 7 ALA HB1 A 25 CYS HB3 1.0 2.43 5.93 511 427 A 10 VAL HGx% A 25 CYS H 1.0 2.42 5.80 512 428 A 24 GLY HA3 A 25 CYS H 1.0 2.49 3.35 513 429 A 24 GLY H A 25 CYS H 1.0 1.82 2.52 514 430 A 25 CYS HA A 25 CYS H 1.0 1.94 2.78 515 431 A 25 CYS HB2 A 25 CYS H 1.0 2.08 2.64 516 432 A 25 CYS HB3 A 25 CYS H 1.0 2.70 3.74 517 433 A 25 CYS H A 49 GLY H 1.0 2.15 4.09 518 434 A 25 CYS H A 9 CYS HBx 1.0 2.43 3.95 519 434 A 9 CYS HBy A 25 CYS H 1.0 2.43 3.95 520 435 A 9 CYS H A 25 CYS H 1.0 3.17 6.00 521 436 A 26 ALA HA A 48 PRO HD3 1.0 1.55 6.00 522 437 A 26 ALA HA A 48 PRO HG3 1.0 1.98 6.00 523 438 A 25 CYS HA A 26 ALA HB1 1.0 3.04 4.44 524 439 A 26 ALA HA A 26 ALA HB1 1.0 2.01 2.51 525 440 A 26 ALA HB1 A 27 ASP HA 1.0 3.26 4.94 526 441 A 48 PRO HB2 A 26 ALA HB1 1.0 1.60 6.00 527 442 A 26 ALA HB1 A 48 PRO HB3 1.0 2.69 4.79 528 443 A 26 ALA HB1 A 48 PRO HG2 1.0 2.45 6.00 529 444 A 25 CYS HB2 A 26 ALA H 1.0 2.79 3.91 530 445 A 25 CYS HB3 A 26 ALA H 1.0 2.45 3.27 531 446 A 26 ALA HA A 26 ALA H 1.0 2.39 3.15 532 447 A 26 ALA HB1 A 26 ALA H 1.0 2.29 2.99 533 448 A 26 ALA HA A 27 ASP HA 1.0 2.38 5.44 534 449 A 27 ASP HA A 27 ASP HB2 1.0 1.71 2.65 535 450 A 29 VAL HGx% A 27 ASP HA 1.0 2.35 5.19 536 451 A 48 PRO HA A 27 ASP HA 1.0 2.46 6.00 537 452 A 48 PRO HD3 A 27 ASP HA 1.0 1.92 4.50 538 453 A 26 ALA HB1 A 27 ASP HB2 1.0 3.17 6.00 539 454 A 29 VAL HGx% A 27 ASP HB2 1.0 3.19 4.77 540 455 A 48 PRO HB3 A 27 ASP HB2 1.0 2.49 6.00 541 456 A 25 CYS HB3 A 27 ASP HB3 1.0 2.92 5.72 542 457 A 26 ALA HB1 A 27 ASP HB3 1.0 2.53 4.25 543 458 A 27 ASP HA A 27 ASP HB3 1.0 2.54 3.42 544 459 A 27 ASP HB2 A 27 ASP HB3 1.0 1.77 2.20 545 460 A 27 ASP HB3 A 28 ALA HA 1.0 1.58 6.00 546 461 A 27 ASP HB3 A 28 ALA HB1 1.0 3.09 6.00 547 462 A 29 VAL HGx% A 27 ASP HB3 1.0 1.94 6.00 548 463 A 25 CYS HA A 27 ASP H 1.0 2.97 4.29 549 464 A 25 CYS HB2 A 27 ASP H 1.0 2.79 3.93 550 465 A 25 CYS HB3 A 27 ASP H 1.0 2.23 2.89 551 466 A 25 CYS H A 27 ASP H 1.0 3.18 4.76 552 467 A 26 ALA HA A 27 ASP H 1.0 2.57 3.49 553 468 A 26 ALA HB1 A 27 ASP H 1.0 2.43 3.23 554 469 A 26 ALA H A 27 ASP H 1.0 2.41 3.19 555 470 A 27 ASP HA A 27 ASP H 1.0 2.38 3.14 556 471 A 27 ASP HB2 A 27 ASP H 1.0 2.08 3.84 557 472 A 27 ASP HB3 A 27 ASP H 1.0 2.28 2.98 558 473 A 29 VAL HGx% A 27 ASP H 1.0 2.75 4.99 559 474 A 48 PRO HB2 A 27 ASP H 1.0 2.50 6.00 560 475 A 48 PRO HB3 A 27 ASP H 1.0 2.16 4.16 561 476 A 23 ASN HB2 A 28 ALA HA 1.0 0.00 6.00 562 477 A 27 ASP HA A 28 ALA HA 1.0 2.49 6.00 563 478 A 28 ALA HA A 45 VAL HGx% 1.0 0.00 6.00 564 479 A 28 ALA HA A 45 VAL HGy% 1.0 1.98 5.36 565 480 A 46 ILE HB A 28 ALA HA 1.0 1.99 6.00 566 481 A 46 ILE HG21 A 28 ALA HA 1.0 1.87 4.09 567 482 A 28 ALA HA A 47 GLU HA 1.0 2.02 3.58 568 483 A 28 ALA HA A 47 GLU HG2 1.0 2.47 6.00 569 484 A 28 ALA HA A 47 GLU HG3 1.0 2.50 6.00 570 485 A 28 ALA HA A 48 PRO HD2 1.0 1.88 4.18 571 486 A 27 ASP HA A 28 ALA HB1 1.0 2.41 5.71 572 487 A 27 ASP HB2 A 28 ALA HB1 1.0 3.07 4.51 573 488 A 28 ALA HA A 28 ALA HB1 1.0 2.13 2.71 574 489 A 28 ALA HB1 A 29 VAL HA 1.0 3.02 4.38 575 490 A 28 ALA HB1 A 45 VAL HGx% 1.0 2.75 4.99 576 491 A 28 ALA HB1 A 47 GLU HA 1.0 2.27 2.95 577 492 A 28 ALA HB1 A 47 GLU HB3 1.0 2.00 6.00 578 493 A 28 ALA HB1 A 48 PRO HD2 1.0 2.20 3.36 579 494 A 48 PRO HG2 A 28 ALA HB1 1.0 2.29 4.85 580 495 A 48 PRO HG3 A 28 ALA HB1 1.0 2.19 4.27 581 496 A 25 CYS HB3 A 28 ALA H 1.0 3.25 6.00 582 497 A 26 ALA HB1 A 28 ALA H 1.0 2.50 6.00 583 498 A 27 ASP HA A 28 ALA H 1.0 1.87 2.31 584 499 A 27 ASP HB2 A 28 ALA H 1.0 2.25 2.93 585 500 A 27 ASP HB3 A 28 ALA H 1.0 3.14 4.68 586 501 A 27 ASP H A 28 ALA H 1.0 3.08 4.52 587 502 A 28 ALA HA A 28 ALA H 1.0 2.31 3.01 588 503 A 28 ALA HB1 A 28 ALA H 1.0 1.95 2.43 589 504 A 29 VAL HGx% A 28 ALA H 1.0 2.27 4.71 590 505 A 48 PRO HA A 28 ALA H 1.0 3.28 6.00 591 506 A 48 PRO HB2 A 28 ALA H 1.0 3.18 6.00 592 507 A 48 PRO HD2 A 28 ALA H 1.0 3.24 4.90 593 508 A 48 PRO HD3 A 28 ALA H 1.0 2.57 3.49 594 509 A 48 PRO HG2 A 28 ALA H 1.0 3.51 5.59 595 510 A 48 PRO HG3 A 28 ALA H 1.0 2.91 4.15 596 511 A 27 ASP HB2 A 29 VAL HA 1.0 0.00 6.00 597 512 A 29 VAL HA A 29 VAL HB 1.0 2.14 2.74 598 513 A 29 VAL HB A 30 SER HB3 1.0 0.00 6.00 599 514 A 69 THR HG21 A 29 VAL HB 1.0 1.88 4.14 600 515 A 25 CYS HB2 A 29 VAL HGx% 1.0 2.61 3.57 601 516 A 25 CYS HB3 A 29 VAL HGx% 1.0 2.73 3.79 602 517 A 29 VAL HGx% A 28 ALA HA 1.0 2.12 3.98 603 518 A 29 VAL HGx% A 29 VAL HA 1.0 2.13 2.73 604 519 A 29 VAL HGx% A 29 VAL HB 1.0 1.92 2.38 605 520 A 69 THR HG21 A 29 VAL HGx% 1.0 0.00 6.00 606 521 A 7 ALA HA A 29 VAL HGx% 1.0 3.55 5.67 607 522 A 7 ALA HB1 A 29 VAL HGx% 1.0 1.98 3.46 608 523 A 9 CYS H A 29 VAL HGx% 1.0 0.00 6.00 609 524 A 29 VAL HGy% A 29 VAL HA 1.0 2.39 3.17 610 525 A 29 VAL HGy% A 29 VAL HB 1.0 1.61 2.41 611 526 A 31 VAL HA A 29 VAL HGy% 1.0 2.42 5.80 612 527 A 69 THR HG21 A 29 VAL HGy% 1.0 2.25 4.59 613 528 A 27 ASP HB2 A 29 VAL H 1.0 2.48 6.00 614 529 A 27 ASP H A 29 VAL H 1.0 2.48 6.00 615 530 A 28 ALA HA A 29 VAL H 1.0 1.90 2.36 616 531 A 28 ALA HB1 A 29 VAL H 1.0 2.04 3.68 617 532 A 28 ALA H A 29 VAL H 1.0 2.84 5.36 618 533 A 29 VAL HA A 29 VAL H 1.0 2.33 3.07 619 534 A 29 VAL HB A 29 VAL H 1.0 2.22 4.44 620 535 A 29 VAL HGx% A 29 VAL H 1.0 2.58 3.52 621 536 A 29 VAL HGy% A 29 VAL H 1.0 2.25 2.91 622 537 A 29 VAL H A 30 SER HA 1.0 2.49 6.00 623 538 A 46 ILE HB A 29 VAL H 1.0 2.26 4.62 624 539 A 47 GLU HA A 29 VAL H 1.0 3.10 4.56 625 540 A 48 PRO HD2 A 29 VAL H 1.0 2.42 6.00 626 541 A 48 PRO HD3 A 29 VAL H 1.0 2.97 5.95 627 542 A 7 ALA HB1 A 29 VAL H 1.0 2.49 6.00 628 543 A 29 VAL HA A 30 SER HA 1.0 3.05 4.45 629 544 A 29 VAL HGy% A 30 SER HA 1.0 3.22 4.86 630 545 A 30 SER HA A 30 SER HB2 1.0 2.87 4.07 631 546 A 30 SER HB3 A 30 SER HA 1.0 2.14 2.72 632 547 A 31 VAL HA A 30 SER HA 1.0 2.24 4.50 633 548 A 30 SER HA A 44 ARG H 1.0 2.89 5.57 634 549 A 30 SER HA A 45 VAL HA 1.0 1.57 2.20 635 550 A 30 SER HA A 45 VAL HB 1.0 2.55 4.33 636 551 A 45 VAL HGx% A 30 SER HA 1.0 3.21 4.83 637 552 A 30 SER HA A 45 VAL H 1.0 2.93 5.75 638 553 A 30 SER HA A 46 ILE HD11 1.0 3.11 6.00 639 554 A 46 ILE HG21 A 30 SER HA 1.0 3.01 6.00 640 555 A 30 SER HA A 46 ILE H 1.0 3.16 4.70 641 556 A 52 ALA HB1 A 30 SER HA 1.0 3.14 6.00 642 557 A 30 SER HB2 A 45 VAL HA 1.0 2.49 6.00 643 558 A 30 SER HB2 A 45 VAL HB 1.0 2.39 5.53 644 559 A 45 VAL HGx% A 30 SER HB2 1.0 2.41 5.69 645 560 A 45 VAL HGy% A 30 SER HB2 1.0 1.72 6.00 646 561 A 30 SER HB3 A 30 SER HB2 1.0 1.44 2.20 647 562 A 30 SER HB3 A 31 VAL H 1.0 3.05 4.45 648 563 A 30 SER HB3 A 45 VAL HA 1.0 2.99 4.33 649 564 A 30 SER HB3 A 45 VAL HB 1.0 2.67 3.67 650 565 A 45 VAL HGx% A 30 SER HB3 1.0 2.18 4.26 651 566 A 45 VAL HGy% A 30 SER HB3 1.0 2.99 6.00 652 567 A 30 SER HB3 A 71 ASP HA 1.0 2.74 4.98 653 568 A 29 VAL HA A 30 SER H 1.0 1.85 2.27 654 569 A 29 VAL HB A 30 SER H 1.0 2.34 3.08 655 570 A 29 VAL HGx% A 30 SER H 1.0 3.10 4.58 656 571 A 29 VAL HGy% A 30 SER H 1.0 3.08 4.54 657 572 A 29 VAL H A 30 SER H 1.0 2.29 4.81 658 573 A 30 SER HA A 30 SER H 1.0 2.43 3.23 659 574 A 30 SER HB2 A 30 SER H 1.0 2.36 3.10 660 575 A 30 SER HB3 A 30 SER H 1.0 2.84 4.00 661 576 A 69 THR HB A 30 SER H 1.0 2.46 6.00 662 577 A 69 THR HG21 A 30 SER H 1.0 3.05 4.45 663 578 A 30 SER H A 70 CYS HB3 1.0 2.50 6.00 664 579 A 31 VAL HA A 31 VAL HGy% 1.0 2.61 3.55 665 579 A 31 VAL HGx% A 31 VAL HA 1.0 2.61 3.55 666 580 A 6 VAL HGx% A 31 VAL HA 1.0 2.72 4.88 667 581 A 31 VAL HA A 6 VAL HGy% 1.0 2.29 4.81 668 582 A 31 VAL HA A 69 THR HA 1.0 2.52 3.40 669 583 A 69 THR HB A 31 VAL HA 1.0 3.01 6.00 670 584 A 31 VAL HA A 70 CYS HA 1.0 2.27 4.71 671 585 A 10 VAL HGy% A 31 VAL HB 1.0 2.52 4.20 672 586 A 30 SER HA A 31 VAL HB 1.0 2.88 5.54 673 587 A 31 VAL HA A 31 VAL HB 1.0 2.32 3.04 674 588 A 67 LEU HB3 A 31 VAL HB 1.0 1.99 6.00 675 589 A 69 THR HA A 31 VAL HB 1.0 3.09 6.00 676 590 A 29 VAL HA A 31 VAL HGy% 1.0 1.94 4.72 677 590 A 31 VAL HGx% A 29 VAL HA 1.0 1.94 4.72 678 591 A 30 SER HB3 A 31 VAL HGy% 1.0 2.67 4.73 679 591 A 31 VAL HGx% A 30 SER HB3 1.0 2.67 4.73 680 592 A 31 VAL HB A 31 VAL HGy% 1.0 1.82 2.24 681 592 A 31 VAL HGx% A 31 VAL HB 1.0 1.82 2.24 682 593 A 31 VAL H A 31 VAL HGy% 1.0 1.96 2.82 683 593 A 31 VAL HGx% A 31 VAL H 1.0 1.96 2.82 684 594 A 31 VAL HGy% A 44 ARG HBx 1.0 1.99 5.39 685 594 A 44 ARG HBy A 31 VAL HGy% 1.0 1.99 5.39 686 594 A 31 VAL HGx% A 44 ARG HBy 1.0 1.99 5.39 687 594 A 31 VAL HGx% A 44 ARG HBx 1.0 1.99 5.39 688 595 A 46 ILE HB A 31 VAL HGy% 1.0 2.13 3.21 689 595 A 31 VAL HGx% A 46 ILE HB 1.0 2.13 3.21 690 596 A 54 PHE HD% A 31 VAL HGy% 1.0 2.47 4.07 691 596 A 31 VAL HGx% A 54 PHE HD% 1.0 2.47 4.07 692 597 A 67 LEU HB3 A 31 VAL HGy% 1.0 2.00 6.00 693 597 A 31 VAL HGx% A 67 LEU HB3 1.0 2.00 6.00 694 598 A 69 THR HA A 31 VAL HGy% 1.0 2.82 3.98 695 598 A 31 VAL HGx% A 69 THR HA 1.0 2.82 3.98 696 599 A 31 VAL HGx% A 29 VAL HA 1.0 2.25 4.55 697 600 A 31 VAL HGx% A 31 VAL HA 1.0 1.88 3.16 698 601 A 31 VAL HGx% A 31 VAL HB 1.0 1.53 2.25 699 602 A 31 VAL HGx% A 33 VAL HGx% 1.0 2.48 6.00 700 603 A 31 VAL HGx% A 46 ILE HB 1.0 2.03 2.55 701 604 A 31 VAL HGx% A 67 LEU HB3 1.0 2.36 5.24 702 605 A 31 VAL HGx% A 67 LEU HDx% 1.0 2.30 4.86 703 606 A 31 VAL HGx% A 67 LEU HDy% 1.0 2.19 4.27 704 607 A 31 VAL HGx% A 69 THR HA 1.0 2.12 3.96 705 608 A 31 VAL HGx% A 7 ALA HB1 1.0 0.00 6.00 706 609 A 31 VAL HA A 31 VAL HGy% 1.0 2.15 4.09 707 610 A 31 VAL HB A 31 VAL HGy% 1.0 1.58 2.36 708 611 A 33 VAL HGx% A 31 VAL HGy% 1.0 2.41 5.67 709 612 A 54 PHE HD% A 31 VAL HGy% 1.0 2.96 4.26 710 613 A 67 LEU HDx% A 31 VAL HGy% 1.0 2.24 4.54 711 614 A 67 LEU HDy% A 31 VAL HGy% 1.0 1.90 3.20 712 615 A 30 SER HA A 31 VAL H 1.0 1.96 2.44 713 616 A 30 SER HB2 A 31 VAL H 1.0 3.49 5.53 714 617 A 31 VAL H A 30 SER H 1.0 3.16 6.00 715 618 A 31 VAL HA A 31 VAL H 1.0 2.63 3.61 716 619 A 31 VAL H A 31 VAL HB 1.0 3.10 4.56 717 620 A 31 VAL H A 32 THR HB 1.0 2.50 6.00 718 621 A 31 VAL H A 32 THR H 1.0 3.09 4.53 719 622 A 31 VAL H A 44 ARG HBx 1.0 0.00 6.00 720 622 A 31 VAL H A 44 ARG HBy 1.0 0.00 6.00 721 623 A 45 VAL HA A 31 VAL H 1.0 2.10 3.88 722 624 A 46 ILE HD11 A 31 VAL H 1.0 2.89 4.13 723 625 A 31 VAL H A 46 ILE HG1x 1.0 2.46 6.00 724 625 A 46 ILE HG1y A 31 VAL H 1.0 2.46 6.00 725 626 A 7 ALA HB1 A 31 VAL H 1.0 0.00 6.00 726 627 A 31 VAL H A 70 CYS HA 1.0 2.50 6.00 727 628 A 32 THR HB A 32 THR HA 1.0 1.85 3.05 728 629 A 32 THR HB A 43 CYS HA 1.0 1.63 2.95 729 630 A 32 THR HA A 32 THR HG21 1.0 2.28 3.56 730 631 A 32 THR HB A 32 THR HG21 1.0 2.05 2.59 731 632 A 30 SER HA A 32 THR H 1.0 0.00 6.00 732 633 A 31 VAL HA A 32 THR H 1.0 2.09 2.65 733 634 A 31 VAL HB A 32 THR H 1.0 2.44 3.26 734 635 A 32 THR H A 31 VAL HGy% 1.0 2.76 3.84 735 635 A 31 VAL HGx% A 32 THR H 1.0 2.76 3.84 736 636 A 32 THR H A 32 THR HA 1.0 2.26 2.92 737 637 A 32 THR HB A 32 THR H 1.0 2.91 4.17 738 638 A 32 THR H A 32 THR HG21 1.0 2.18 4.24 739 639 A 32 THR H A 33 VAL H 1.0 2.37 5.39 740 640 A 32 THR H A 6 VAL HGy% 1.0 1.93 3.29 741 640 A 6 VAL HGx% A 32 THR H 1.0 1.93 3.29 742 641 A 6 VAL HGx% A 32 THR H 1.0 2.53 3.41 743 642 A 67 LEU HA A 32 THR H 1.0 2.77 5.09 744 643 A 67 LEU HB3 A 32 THR H 1.0 2.46 6.00 745 644 A 67 LEU HDy% A 32 THR H 1.0 2.33 5.11 746 645 A 68 HIS HA A 32 THR H 1.0 3.24 4.90 747 646 A 32 THR H A 68 HIS HB2 1.0 2.93 4.19 748 647 A 68 HIS HB3 A 32 THR H 1.0 3.27 6.00 749 648 A 68 HIS H A 32 THR H 1.0 2.39 3.15 750 649 A 69 THR HA A 32 THR H 1.0 2.24 4.52 751 650 A 70 CYS HA A 32 THR H 1.0 2.37 5.39 752 651 A 67 LEU HA A 33 VAL HA 1.0 1.60 2.82 753 652 A 67 LEU HB3 A 33 VAL HA 1.0 1.91 6.00 754 653 A 67 LEU HDx% A 33 VAL HA 1.0 1.05 6.00 755 654 A 12 TYR HD% A 33 VAL HB 1.0 3.41 5.31 756 655 A 12 TYR HE% A 33 VAL HB 1.0 2.99 6.00 757 656 A 33 VAL HA A 33 VAL HB 1.0 2.38 3.14 758 657 A 64 VAL HB A 33 VAL HB 1.0 1.94 2.40 759 658 A 64 VAL HGx% A 33 VAL HB 1.0 2.10 3.90 760 659 A 64 VAL HGy% A 33 VAL HB 1.0 2.71 4.87 761 660 A 67 LEU HDy% A 33 VAL HB 1.0 2.78 5.12 762 661 A 33 VAL HGx% A 19 THR HB 1.0 2.95 5.87 763 662 A 19 THR HG21 A 33 VAL HGx% 1.0 2.49 3.33 764 663 A 33 VAL HGx% A 31 VAL HGy% 1.0 2.95 5.87 765 663 A 31 VAL HGx% A 33 VAL HGx% 1.0 2.95 5.87 766 664 A 33 VAL HGx% A 32 THR HA 1.0 2.47 6.00 767 665 A 33 VAL HGx% A 33 VAL HA 1.0 2.07 3.05 768 666 A 33 VAL HGx% A 33 VAL HB 1.0 1.97 2.85 769 667 A 33 VAL HGx% A 33 VAL H 1.0 3.00 6.00 770 668 A 33 VAL HGx% A 54 PHE HB3 1.0 2.87 5.49 771 669 A 54 PHE HD% A 33 VAL HGx% 1.0 2.61 4.53 772 670 A 33 VAL HGx% A 64 VAL HA 1.0 2.80 5.22 773 671 A 33 VAL HGx% A 64 VAL HB 1.0 2.44 3.98 774 672 A 33 VAL HGx% A 64 VAL HGx% 1.0 2.21 3.39 775 673 A 33 VAL HGx% A 64 VAL HGy% 1.0 2.11 2.69 776 674 A 67 LEU HDx% A 33 VAL HGx% 1.0 2.71 3.77 777 675 A 67 LEU HDy% A 33 VAL HGx% 1.0 1.88 3.14 778 676 A 33 VAL HGy% A 19 THR HB 1.0 3.05 6.00 779 677 A 33 VAL HGy% A 31 VAL HGy% 1.0 2.34 5.14 780 677 A 31 VAL HGx% A 33 VAL HGy% 1.0 2.34 5.14 781 678 A 33 VAL HGy% A 31 VAL HGy% 1.0 2.40 3.18 782 679 A 33 VAL HGy% A 32 THR HA 1.0 2.62 4.56 783 680 A 33 VAL HGy% A 33 VAL HA 1.0 2.93 4.21 784 681 A 33 VAL HGy% A 33 VAL HB 1.0 2.06 3.04 785 682 A 33 VAL HGy% A 33 VAL HGx% 1.0 1.78 2.20 786 683 A 33 VAL HGy% A 33 VAL H 1.0 2.27 3.53 787 684 A 33 VAL HGy% A 35 TYR HD% 1.0 3.19 6.00 788 685 A 33 VAL HGy% A 54 PHE HA 1.0 1.80 6.00 789 686 A 33 VAL HGy% A 54 PHE HB2 1.0 2.61 4.49 790 687 A 33 VAL HGy% A 54 PHE HB3 1.0 2.51 4.21 791 688 A 33 VAL HGy% A 64 VAL HB 1.0 3.17 4.73 792 689 A 33 VAL HGy% A 64 VAL HGx% 1.0 2.80 5.22 793 690 A 33 VAL HGy% A 64 VAL HGy% 1.0 2.78 3.88 794 691 A 67 LEU HDy% A 33 VAL HGy% 1.0 2.24 2.90 795 692 A 32 THR HA A 33 VAL H 1.0 2.49 3.33 796 693 A 32 THR HB A 33 VAL H 1.0 3.31 5.07 797 694 A 33 VAL H A 33 VAL HA 1.0 2.41 3.89 798 695 A 33 VAL H A 33 VAL HB 1.0 3.01 4.39 799 696 A 33 VAL H A 35 TYR HE% 1.0 2.45 6.00 800 697 A 33 VAL H A 41 ALA HB1 1.0 2.22 4.42 801 698 A 33 VAL H A 41 ALA H 1.0 2.50 6.00 802 699 A 33 VAL H A 42 PRO HA 1.0 0.00 6.00 803 700 A 33 VAL H A 42 PRO HB2 1.0 3.58 5.78 804 701 A 33 VAL H A 42 PRO HB3 1.0 2.37 5.35 805 702 A 54 PHE HB3 A 33 VAL H 1.0 2.48 6.00 806 703 A 54 PHE HE% A 33 VAL H 1.0 2.42 5.78 807 704 A 67 LEU HA A 33 VAL H 1.0 2.43 5.85 808 705 A 68 HIS HB3 A 33 VAL H 1.0 0.00 6.00 809 706 A 34 GLU HA A 34 GLU HB2 1.0 2.11 3.95 810 707 A 34 GLU HA A 34 GLU HB3 1.0 2.26 4.64 811 708 A 42 PRO HB3 A 34 GLU HA 1.0 2.16 4.16 812 709 A 42 PRO HB3 A 34 GLU HB2 1.0 0.00 6.00 813 710 A 34 GLU HB2 A 34 GLU HB3 1.0 1.82 2.22 814 711 A 42 PRO HB3 A 34 GLU HB3 1.0 0.00 6.00 815 712 A 33 VAL HA A 34 GLU H 1.0 2.24 2.90 816 713 A 33 VAL HB A 34 GLU H 1.0 2.89 4.11 817 714 A 33 VAL HGx% A 34 GLU H 1.0 2.81 3.95 818 715 A 33 VAL HGy% A 34 GLU H 1.0 3.17 6.00 819 716 A 33 VAL H A 34 GLU H 1.0 2.41 5.73 820 717 A 34 GLU HA A 34 GLU H 1.0 2.10 3.92 821 718 A 34 GLU HB2 A 34 GLU H 1.0 2.77 3.87 822 719 A 34 GLU HB3 A 34 GLU H 1.0 2.36 3.12 823 720 A 34 GLU H A 35 TYR HA 1.0 0.00 6.00 824 721 A 42 PRO HB3 A 34 GLU H 1.0 2.36 5.22 825 722 A 64 VAL HB A 34 GLU H 1.0 2.32 4.94 826 723 A 64 VAL HGx% A 34 GLU H 1.0 2.49 6.00 827 724 A 64 VAL HGy% A 34 GLU H 1.0 3.30 5.06 828 725 A 34 GLU H A 65 THR HA 1.0 3.07 6.00 829 726 A 66 GLY HA3 A 34 GLU H 1.0 2.85 5.43 830 727 A 67 LEU HA A 34 GLU H 1.0 2.92 4.18 831 728 A 67 LEU HDx% A 34 GLU H 1.0 0.00 6.00 832 729 A 34 GLU H A 68 HIS HD2 1.0 2.34 5.10 833 730 A 68 HIS H A 34 GLU H 1.0 2.49 6.00 834 731 A 35 TYR HA A 35 TYR HB3 1.0 2.12 3.98 835 732 A 35 TYR HA A 65 THR HG21 1.0 2.41 5.67 836 733 A 35 TYR HA A 35 TYR HB2 1.0 2.94 4.22 837 734 A 35 TYR HE% A 35 TYR HB2 1.0 3.22 6.00 838 735 A 35 TYR HB2 A 39 GLN HBy 1.0 2.35 5.19 839 735 A 35 TYR HB2 A 39 GLN HBx 1.0 2.35 5.19 840 736 A 35 TYR HB3 A 35 TYR HB2 1.0 1.82 2.24 841 737 A 35 TYR HB3 A 36 THR HA 1.0 2.48 6.00 842 738 A 64 VAL HGx% A 35 TYR HB3 1.0 2.50 6.00 843 739 A 19 THR HB A 35 TYR HD% 1.0 3.18 6.00 844 740 A 33 VAL HB A 35 TYR HD% 1.0 2.91 5.65 845 741 A 33 VAL HGx% A 35 TYR HD% 1.0 3.26 4.94 846 742 A 35 TYR HD% A 35 TYR HA 1.0 2.77 3.87 847 743 A 35 TYR HD% A 35 TYR HB2 1.0 2.34 3.08 848 744 A 35 TYR HD% A 35 TYR HB3 1.0 2.22 2.88 849 745 A 35 TYR HD% A 36 THR HA 1.0 0.00 6.00 850 746 A 35 TYR HD% A 36 THR H 1.0 3.19 4.77 851 747 A 35 TYR HD% A 39 GLN HBy 1.0 2.90 4.14 852 747 A 35 TYR HD% A 39 GLN HBx 1.0 2.90 4.14 853 748 A 35 TYR HD% A 40 TRP HA 1.0 2.40 5.56 854 749 A 35 TYR HD% A 41 ALA HB1 1.0 1.95 6.00 855 750 A 35 TYR HD% A 55 ALA HB1 1.0 2.96 4.26 856 751 A 35 TYR HD% A 62 ASN HB2 1.0 3.03 4.41 857 752 A 35 TYR HD% A 63 TYR HB2 1.0 2.92 5.72 858 753 A 64 VAL HA A 35 TYR HD% 1.0 2.98 4.32 859 754 A 64 VAL HGx% A 35 TYR HD% 1.0 2.31 3.65 860 755 A 19 THR HB A 35 TYR HE% 1.0 3.04 6.00 861 756 A 19 THR HG21 A 35 TYR HE% 1.0 3.21 6.00 862 757 A 33 VAL HB A 35 TYR HE% 1.0 2.97 4.29 863 758 A 33 VAL HGx% A 35 TYR HE% 1.0 2.61 4.53 864 759 A 33 VAL HGy% A 35 TYR HE% 1.0 2.84 4.02 865 760 A 35 TYR HE% A 34 GLU HA 1.0 3.13 6.00 866 761 A 35 TYR HE% A 35 TYR HA 1.0 3.31 5.05 867 762 A 35 TYR HE% A 35 TYR HB3 1.0 3.17 6.00 868 763 A 35 TYR HD% A 35 TYR HE% 1.0 1.92 2.38 869 764 A 35 TYR HE% A 39 GLN HBy 1.0 2.97 5.93 870 764 A 35 TYR HE% A 39 GLN HBx 1.0 2.97 5.93 871 765 A 35 TYR HE% A 40 TRP HA 1.0 0.00 6.00 872 766 A 54 PHE HE% A 35 TYR HE% 1.0 2.50 6.00 873 767 A 64 VAL HA A 35 TYR HE% 1.0 3.00 6.00 874 768 A 64 VAL HB A 35 TYR HE% 1.0 2.01 3.57 875 769 A 64 VAL HGy% A 35 TYR HE% 1.0 3.23 6.00 876 770 A 34 GLU H A 35 TYR H 1.0 2.47 6.00 877 771 A 35 TYR HA A 35 TYR H 1.0 0.00 6.00 878 772 A 35 TYR HB2 A 35 TYR H 1.0 2.04 3.70 879 773 A 35 TYR HB3 A 35 TYR H 1.0 2.28 4.74 880 774 A 35 TYR HD% A 35 TYR H 1.0 1.88 3.14 881 775 A 35 TYR HE% A 35 TYR H 1.0 2.47 6.00 882 776 A 36 THR HA A 35 TYR H 1.0 2.49 6.00 883 777 A 35 TYR H A 39 GLN H 1.0 2.48 6.00 884 778 A 64 VAL HGx% A 35 TYR H 1.0 1.48 6.00 885 779 A 35 TYR H A 65 THR H 1.0 2.50 6.00 886 780 A 36 THR HA A 37 HIS HA 1.0 2.43 5.89 887 781 A 36 THR HA A 65 THR HB 1.0 1.94 6.00 888 782 A 36 THR HA A 36 THR HB 1.0 1.78 3.58 889 783 A 36 THR HB A 57 TYR HB3 1.0 0.48 6.00 890 784 A 36 THR HB A 63 TYR HA 1.0 2.26 4.66 891 785 A 36 THR HA A 36 THR HG21 1.0 2.54 3.44 892 786 A 36 THR HB A 36 THR HG21 1.0 2.23 2.87 893 787 A 36 THR H A 36 THR HG21 1.0 3.48 5.48 894 788 A 37 HIS HA A 36 THR HG21 1.0 3.05 4.45 895 789 A 36 THR HG21 A 37 HIS HB2 1.0 2.86 5.44 896 790 A 65 THR HG21 A 36 THR HG21 1.0 1.98 5.42 897 791 A 35 TYR HA A 36 THR H 1.0 1.76 2.80 898 792 A 35 TYR HB2 A 36 THR H 1.0 2.96 4.26 899 793 A 35 TYR HB3 A 36 THR H 1.0 2.41 3.91 900 794 A 36 THR H A 35 TYR H 1.0 2.50 6.00 901 795 A 36 THR HA A 36 THR H 1.0 2.45 3.27 902 796 A 36 THR H A 36 THR HB 1.0 2.39 3.15 903 797 A 36 THR H A 37 HIS HD2 1.0 2.50 6.00 904 798 A 36 THR H A 38 GLY H 1.0 2.50 6.00 905 799 A 65 THR HG21 A 36 THR H 1.0 2.95 4.25 906 800 A 37 HIS HA A 37 HIS HB3 1.0 2.11 3.95 907 801 A 37 HIS HA A 38 GLY HA2 1.0 2.44 6.00 908 802 A 37 HIS HA A 37 HIS HB2 1.0 2.80 3.94 909 803 A 37 HIS HB2 A 37 HIS HB3 1.0 1.72 2.20 910 804 A 36 THR HB A 37 HIS HD2 1.0 2.56 4.36 911 805 A 36 THR HG21 A 37 HIS HD2 1.0 2.62 3.58 912 806 A 37 HIS HA A 37 HIS HD2 1.0 2.15 4.09 913 807 A 37 HIS HB2 A 37 HIS HD2 1.0 2.45 4.03 914 808 A 37 HIS HD2 A 37 HIS HB3 1.0 3.17 4.73 915 809 A 62 ASN HB2 A 37 HIS HD2 1.0 3.16 6.00 916 810 A 35 TYR HB3 A 37 HIS H 1.0 0.00 6.00 917 811 A 36 THR HA A 37 HIS H 1.0 0.00 6.00 918 812 A 36 THR HB A 37 HIS H 1.0 0.00 6.00 919 813 A 36 THR HG21 A 37 HIS H 1.0 0.00 6.00 920 814 A 36 THR H A 37 HIS H 1.0 0.00 6.00 921 815 A 37 HIS HA A 37 HIS H 1.0 0.00 6.00 922 816 A 37 HIS HB2 A 37 HIS H 1.0 0.00 6.00 923 817 A 37 HIS HB3 A 37 HIS H 1.0 0.00 6.00 924 818 A 37 HIS HD2 A 37 HIS H 1.0 0.00 6.00 925 819 A 37 HIS H A 62 ASN HA 1.0 0.00 6.00 926 820 A 62 ASN HB2 A 37 HIS H 1.0 0.00 6.00 927 821 A 37 HIS H A 62 ASN HB3 1.0 0.00 6.00 928 822 A 37 HIS H A 62 ASN HD21 1.0 0.00 6.00 929 823 A 38 GLY HA2 A 38 GLY HA3 1.0 1.67 2.59 930 824 A 35 TYR HA A 38 GLY H 1.0 2.49 6.00 931 825 A 35 TYR HB3 A 38 GLY H 1.0 2.45 6.00 932 826 A 37 HIS HA A 38 GLY H 1.0 2.81 3.95 933 827 A 37 HIS HB2 A 38 GLY H 1.0 2.10 3.92 934 828 A 38 GLY H A 37 HIS HB3 1.0 2.28 4.76 935 829 A 38 GLY H A 37 HIS H 1.0 2.18 4.24 936 830 A 38 GLY H A 38 GLY HA3 1.0 2.71 3.75 937 831 A 38 GLY H A 38 GLY HA2 1.0 2.63 3.59 938 832 A 38 GLY H A 39 GLN HA 1.0 2.43 5.87 939 833 A 38 GLY H A 39 GLN HBy 1.0 2.48 6.00 940 833 A 39 GLN HBx A 38 GLY H 1.0 2.48 6.00 941 834 A 38 GLY H A 39 GLN HG3 1.0 2.49 6.00 942 835 A 39 GLN H A 38 GLY H 1.0 2.09 3.89 943 836 A 38 GLY H A 62 ASN HA 1.0 2.38 5.44 944 837 A 38 GLY H A 62 ASN HD21 1.0 2.43 5.89 945 838 A 35 TYR HB3 A 39 GLN HBy 1.0 2.89 5.55 946 838 A 35 TYR HB3 A 39 GLN HBx 1.0 2.89 5.55 947 839 A 39 GLN HA A 39 GLN HBy 1.0 2.58 3.50 948 839 A 39 GLN HBx A 39 GLN HA 1.0 2.58 3.50 949 840 A 39 GLN HG2 A 39 GLN HBy 1.0 2.05 2.59 950 840 A 39 GLN HBx A 39 GLN HG2 1.0 2.05 2.59 951 841 A 39 GLN HG3 A 39 GLN HBy 1.0 1.92 2.38 952 841 A 39 GLN HBx A 39 GLN HG3 1.0 1.92 2.38 953 842 A 39 GLN HA A 39 GLN HG2 1.0 2.54 3.42 954 843 A 39 GLN HG3 A 39 GLN HG2 1.0 1.56 2.30 955 844 A 39 GLN HA A 39 GLN HG3 1.0 3.07 4.51 956 845 A 35 TYR HB2 A 39 GLN H 1.0 2.16 4.16 957 846 A 35 TYR HB3 A 39 GLN H 1.0 2.41 5.75 958 847 A 39 GLN H A 38 GLY HA2 1.0 2.35 5.17 959 848 A 39 GLN H A 39 GLN HA 1.0 2.56 3.46 960 849 A 39 GLN H A 39 GLN HBy 1.0 1.97 3.45 961 849 A 39 GLN HBx A 39 GLN H 1.0 1.97 3.45 962 850 A 39 GLN H A 39 GLN HG2 1.0 0.00 6.00 963 851 A 39 GLN H A 39 GLN HG3 1.0 0.00 6.00 964 852 A 40 TRP HA A 40 TRP HB2 1.0 0.00 6.00 965 853 A 40 TRP HA A 40 TRP HB3 1.0 0.00 6.00 966 854 A 40 TRP HB2 A 40 TRP HB3 1.0 0.00 6.00 967 855 A 40 TRP HA A 40 TRP HD1 1.0 2.70 4.82 968 856 A 40 TRP HD1 A 40 TRP HB2 1.0 0.00 6.00 969 857 A 40 TRP HD1 A 40 TRP HB3 1.0 0.00 6.00 970 858 A 40 TRP HD1 A 40 TRP HE1 1.0 2.29 2.99 971 859 A 40 TRP HD1 A 40 TRP H 1.0 3.21 4.83 972 860 A 40 TRP HE1 A 41 ALA HA 1.0 2.45 6.00 973 861 A 41 ALA H A 40 TRP HE1 1.0 2.47 6.00 974 862 A 40 TRP HE3 A 40 TRP HB2 1.0 0.00 6.00 975 863 A 40 TRP HE3 A 40 TRP HB3 1.0 0.00 6.00 976 864 A 35 TYR HD% A 40 TRP H 1.0 2.43 5.97 977 865 A 35 TYR HE% A 40 TRP H 1.0 2.48 6.00 978 866 A 39 GLN HA A 40 TRP H 1.0 1.80 2.90 979 867 A 40 TRP H A 39 GLN HBy 1.0 2.65 3.65 980 867 A 39 GLN HBx A 40 TRP H 1.0 2.65 3.65 981 868 A 39 GLN HG2 A 40 TRP H 1.0 3.04 6.00 982 869 A 39 GLN HG3 A 40 TRP H 1.0 3.10 6.00 983 870 A 40 TRP HA A 40 TRP H 1.0 0.00 6.00 984 871 A 40 TRP H A 40 TRP HB3 1.0 2.01 3.55 985 871 A 40 TRP H A 40 TRP HB2 1.0 2.01 3.55 986 872 A 40 TRP H A 40 TRP HB2 1.0 0.00 6.00 987 873 A 40 TRP H A 40 TRP HB3 1.0 0.00 6.00 988 874 A 40 TRP H A 40 TRP HE3 1.0 2.44 6.00 989 875 A 41 ALA H A 40 TRP H 1.0 2.49 6.00 990 876 A 40 TRP HE1 A 40 TRP HZ2 1.0 2.52 3.40 991 877 A 19 THR HG21 A 41 ALA HB1 1.0 0.00 6.00 992 878 A 41 ALA HB1 A 31 VAL HGy% 1.0 0.00 6.00 993 878 A 31 VAL HGx% A 41 ALA HB1 1.0 0.00 6.00 994 879 A 32 THR HA A 41 ALA HB1 1.0 2.84 5.36 995 880 A 33 VAL HB A 41 ALA HB1 1.0 2.28 4.76 996 881 A 33 VAL HGx% A 41 ALA HB1 1.0 2.84 5.34 997 882 A 33 VAL HGy% A 41 ALA HB1 1.0 2.74 3.82 998 883 A 35 TYR HE% A 41 ALA HB1 1.0 2.05 3.01 999 884 A 41 ALA HB1 A 41 ALA HA 1.0 2.07 3.05 1000 885 A 41 ALA HB1 A 41 ALA H 1.0 3.02 4.38 1001 886 A 41 ALA HB1 A 75 PRO HGx 1.0 2.29 4.83 1002 886 A 41 ALA HB1 A 75 PRO HGy 1.0 2.29 4.83 1003 887 A 35 TYR HD% A 41 ALA H 1.0 2.48 6.00 1004 888 A 41 ALA H A 40 TRP HA 1.0 0.00 6.00 1005 889 A 41 ALA H A 40 TRP HB3 1.0 2.49 6.00 1006 889 A 41 ALA H A 40 TRP HB2 1.0 2.49 6.00 1007 890 A 41 ALA H A 41 ALA HA 1.0 2.57 3.49 1008 891 A 42 PRO HA A 42 PRO HB2 1.0 2.73 3.79 1009 892 A 42 PRO HB2 A 42 PRO HB3 1.0 1.67 2.25 1010 893 A 42 PRO HB2 A 43 CYS H 1.0 2.90 5.62 1011 894 A 42 PRO HA A 42 PRO HB3 1.0 2.34 3.70 1012 895 A 70 CYS HB2 A 43 CYS HA 1.0 2.05 3.73 1013 896 A 32 THR HB A 43 CYS HB2 1.0 2.69 3.73 1014 897 A 43 CYS HA A 43 CYS HB2 1.0 2.63 3.61 1015 898 A 43 CYS H A 43 CYS HB2 1.0 2.86 4.06 1016 899 A 32 THR HA A 43 CYS HB3 1.0 3.13 6.00 1017 900 A 32 THR HB A 43 CYS HB3 1.0 2.95 5.87 1018 901 A 43 CYS HA A 43 CYS HB3 1.0 2.72 3.78 1019 902 A 43 CYS HB2 A 43 CYS HB3 1.0 1.61 2.20 1020 903 A 43 CYS H A 43 CYS HB3 1.0 2.94 4.22 1021 904 A 44 ARG H A 43 CYS HB3 1.0 2.83 5.31 1022 905 A 70 CYS HB2 A 43 CYS HB3 1.0 2.38 5.48 1023 906 A 32 THR HA A 43 CYS H 1.0 2.23 4.49 1024 907 A 32 THR HB A 43 CYS H 1.0 2.36 5.24 1025 908 A 42 PRO HA A 43 CYS H 1.0 1.79 2.87 1026 909 A 42 PRO HB3 A 43 CYS H 1.0 2.41 5.69 1027 910 A 43 CYS HA A 43 CYS H 1.0 2.02 3.60 1028 911 A 54 PHE HE% A 43 CYS H 1.0 2.39 5.49 1029 912 A 70 CYS HB2 A 43 CYS H 1.0 2.49 6.00 1030 913 A 43 CYS H A 75 PRO HGx 1.0 2.35 5.25 1031 913 A 75 PRO HGy A 43 CYS H 1.0 2.35 5.25 1032 914 A 44 ARG HA A 44 ARG HG2 1.0 1.94 3.32 1033 915 A 21 VAL HGy% A 44 ARG HBx 1.0 2.34 5.18 1034 915 A 21 VAL HGy% A 44 ARG HBy 1.0 2.34 5.18 1035 916 A 31 VAL HGy% A 44 ARG HBx 1.0 1.99 5.67 1036 916 A 44 ARG HBy A 31 VAL HGy% 1.0 1.99 5.67 1037 916 A 31 VAL HGx% A 44 ARG HBy 1.0 1.99 5.67 1038 916 A 31 VAL HGx% A 44 ARG HBx 1.0 1.99 5.67 1039 917 A 44 ARG HA A 44 ARG HBx 1.0 2.51 3.37 1040 917 A 44 ARG HBy A 44 ARG HA 1.0 2.51 3.37 1041 918 A 45 VAL HGx% A 44 ARG HBx 1.0 3.06 6.00 1042 918 A 45 VAL HGx% A 44 ARG HBy 1.0 3.06 6.00 1043 919 A 45 VAL H A 44 ARG HBx 1.0 3.11 4.59 1044 919 A 45 VAL H A 44 ARG HBy 1.0 3.11 4.59 1045 920 A 52 ALA HB1 A 44 ARG HBx 1.0 2.22 4.44 1046 920 A 52 ALA HB1 A 44 ARG HBy 1.0 2.22 4.44 1047 921 A 44 ARG HD2 A 31 VAL HGy% 1.0 2.49 6.00 1048 921 A 31 VAL HGx% A 44 ARG HD2 1.0 2.49 6.00 1049 922 A 44 ARG HA A 44 ARG HD2 1.0 2.89 4.11 1050 923 A 44 ARG HD2 A 44 ARG HBx 1.0 3.04 6.00 1051 923 A 44 ARG HBy A 44 ARG HD2 1.0 3.04 6.00 1052 924 A 44 ARG HD2 A 44 ARG HG3 1.0 2.04 3.66 1053 925 A 52 ALA HB1 A 44 ARG HD2 1.0 2.41 5.67 1054 926 A 44 ARG HA A 44 ARG HD3 1.0 3.21 4.83 1055 927 A 44 ARG HD3 A 44 ARG HBx 1.0 2.14 4.08 1056 927 A 44 ARG HBy A 44 ARG HD3 1.0 2.14 4.08 1057 928 A 44 ARG HD2 A 44 ARG HD3 1.0 1.53 2.25 1058 929 A 44 ARG HG2 A 44 ARG HD3 1.0 3.01 4.37 1059 930 A 44 ARG HG3 A 44 ARG HD3 1.0 2.56 3.48 1060 931 A 44 ARG HG2 A 44 ARG HBx 1.0 2.05 3.71 1061 931 A 44 ARG HBy A 44 ARG HG2 1.0 2.05 3.71 1062 932 A 44 ARG HG2 A 44 ARG HD2 1.0 2.62 4.54 1063 933 A 44 ARG HA A 44 ARG HG3 1.0 3.27 6.00 1064 934 A 44 ARG HG3 A 44 ARG HBx 1.0 1.94 3.32 1065 934 A 44 ARG HBy A 44 ARG HG3 1.0 1.94 3.32 1066 935 A 31 VAL HA A 44 ARG H 1.0 2.43 5.95 1067 936 A 44 ARG H A 31 VAL HB 1.0 2.45 6.00 1068 937 A 44 ARG H A 31 VAL HGy% 1.0 2.25 4.57 1069 937 A 31 VAL HGx% A 44 ARG H 1.0 2.25 4.57 1070 938 A 44 ARG H A 31 VAL H 1.0 2.27 2.95 1071 939 A 44 ARG H A 32 THR HA 1.0 2.29 4.83 1072 940 A 44 ARG H A 32 THR HB 1.0 2.97 5.99 1073 941 A 44 ARG H A 43 CYS HB2 1.0 3.54 5.64 1074 942 A 44 ARG H A 43 CYS H 1.0 3.25 4.93 1075 943 A 44 ARG H A 44 ARG HA 1.0 2.19 2.81 1076 944 A 44 ARG H A 44 ARG HBx 1.0 2.74 3.82 1077 944 A 44 ARG H A 44 ARG HBy 1.0 2.74 3.82 1078 945 A 44 ARG H A 44 ARG HG3 1.0 3.18 6.00 1079 946 A 52 ALA HB1 A 44 ARG H 1.0 2.49 6.00 1080 947 A 54 PHE HE% A 44 ARG H 1.0 2.43 5.85 1081 948 A 45 VAL HA A 45 VAL HB 1.0 2.01 2.93 1082 949 A 45 VAL HB A 46 ILE H 1.0 3.22 4.86 1083 950 A 45 VAL HGx% A 29 VAL HA 1.0 1.63 6.00 1084 951 A 45 VAL HGx% A 31 VAL H 1.0 3.15 6.00 1085 952 A 45 VAL HGx% A 43 CYS HB3 1.0 0.00 6.00 1086 953 A 45 VAL HGx% A 44 ARG HD2 1.0 2.42 5.74 1087 954 A 45 VAL HGx% A 45 VAL HA 1.0 2.51 3.37 1088 955 A 45 VAL HGx% A 45 VAL HB 1.0 2.08 2.64 1089 956 A 45 VAL HGx% A 45 VAL H 1.0 1.80 2.50 1090 957 A 45 VAL HGx% A 72 PRO HA 1.0 0.00 6.00 1091 958 A 28 ALA HB1 A 45 VAL HGy% 1.0 1.66 2.20 1092 959 A 45 VAL HGy% A 30 SER HA 1.0 3.18 4.74 1093 960 A 45 VAL HGy% A 45 VAL HA 1.0 2.27 2.95 1094 961 A 45 VAL HGy% A 45 VAL HB 1.0 1.98 2.48 1095 962 A 45 VAL HGx% A 45 VAL HGy% 1.0 1.65 2.21 1096 963 A 45 VAL HGy% A 45 VAL H 1.0 2.73 4.93 1097 964 A 46 ILE HA A 45 VAL HGy% 1.0 2.72 3.78 1098 965 A 45 VAL HGy% A 47 GLU HA 1.0 3.14 4.66 1099 966 A 45 VAL HGy% A 47 GLU HG3 1.0 3.15 4.69 1100 967 A 45 VAL H A 44 ARG HD3 1.0 2.26 4.64 1101 968 A 45 VAL H A 44 ARG HG3 1.0 2.50 6.00 1102 969 A 44 ARG H A 45 VAL H 1.0 3.05 6.00 1103 970 A 45 VAL HA A 45 VAL H 1.0 0.00 6.00 1104 971 A 45 VAL HB A 45 VAL H 1.0 1.90 3.18 1105 972 A 52 ALA HB1 A 45 VAL H 1.0 0.00 6.00 1106 973 A 46 ILE HA A 28 ALA HB1 1.0 2.34 5.10 1107 974 A 46 ILE HA A 45 VAL HA 1.0 2.34 5.12 1108 975 A 46 ILE HA A 46 ILE HG21 1.0 2.02 3.62 1109 976 A 46 ILE HB A 28 ALA HB1 1.0 2.49 6.00 1110 977 A 46 ILE HA A 46 ILE HB 1.0 2.76 3.86 1111 978 A 46 ILE HB A 47 GLU HG3 1.0 1.59 6.00 1112 979 A 21 VAL HB A 46 ILE HD11 1.0 2.22 4.46 1113 980 A 23 ASN HB2 A 46 ILE HD11 1.0 3.00 4.36 1114 981 A 46 ILE HD11 A 44 ARG HBx 1.0 2.00 5.92 1115 981 A 46 ILE HD11 A 44 ARG HBy 1.0 2.00 5.92 1116 982 A 45 VAL HA A 46 ILE HD11 1.0 0.00 6.00 1117 983 A 46 ILE HA A 46 ILE HD11 1.0 2.62 3.58 1118 984 A 46 ILE HB A 46 ILE HD11 1.0 1.95 2.43 1119 985 A 51 TRP HA A 46 ILE HD11 1.0 2.91 4.15 1120 986 A 7 ALA HB1 A 46 ILE HD11 1.0 0.00 6.00 1121 987 A 10 VAL HB A 46 ILE HG1x 1.0 2.33 5.09 1122 987 A 10 VAL HB A 46 ILE HG1y 1.0 2.33 5.09 1123 988 A 23 ASN HA A 46 ILE HG1x 1.0 1.92 4.52 1124 988 A 23 ASN HA A 46 ILE HG1y 1.0 1.92 4.52 1125 989 A 23 ASN HB3 A 46 ILE HG1x 1.0 2.31 3.01 1126 989 A 23 ASN HB3 A 46 ILE HG1y 1.0 2.31 3.01 1127 990 A 28 ALA HA A 46 ILE HG1x 1.0 3.44 5.40 1128 990 A 46 ILE HG1y A 28 ALA HA 1.0 3.44 5.40 1129 991 A 45 VAL HA A 46 ILE HG1x 1.0 0.00 6.00 1130 991 A 46 ILE HG1y A 45 VAL HA 1.0 0.00 6.00 1131 992 A 46 ILE HA A 46 ILE HG1x 1.0 2.19 2.81 1132 992 A 46 ILE HA A 46 ILE HG1y 1.0 2.19 2.81 1133 993 A 46 ILE HB A 46 ILE HG1x 1.0 1.97 2.45 1134 993 A 46 ILE HB A 46 ILE HG1y 1.0 1.97 2.45 1135 994 A 46 ILE HD11 A 46 ILE HG1x 1.0 1.61 2.43 1136 994 A 46 ILE HG1y A 46 ILE HD11 1.0 1.61 2.43 1137 995 A 46 ILE H A 46 ILE HG1x 1.0 3.27 4.97 1138 995 A 46 ILE HG1y A 46 ILE H 1.0 3.27 4.97 1139 996 A 50 GLY HA3 A 46 ILE HG1x 1.0 3.18 4.76 1140 996 A 46 ILE HG1y A 50 GLY HA3 1.0 3.18 4.76 1141 997 A 50 GLY HA2 A 46 ILE HG1x 1.0 2.52 3.40 1142 997 A 46 ILE HG1y A 50 GLY HA2 1.0 2.52 3.40 1143 998 A 51 TRP HA A 46 ILE HG1x 1.0 2.74 3.80 1144 998 A 51 TRP HA A 46 ILE HG1y 1.0 2.74 3.80 1145 999 A 52 ALA HB1 A 46 ILE HG1x 1.0 2.26 4.62 1146 999 A 52 ALA HB1 A 46 ILE HG1y 1.0 2.26 4.62 1147 1000 A 67 LEU HDy% A 46 ILE HG1x 1.0 0.00 6.00 1148 1000 A 67 LEU HDy% A 46 ILE HG1y 1.0 0.00 6.00 1149 1001 A 7 ALA HB1 A 46 ILE HG1x 1.0 0.00 6.00 1150 1001 A 7 ALA HB1 A 46 ILE HG1y 1.0 0.00 6.00 1151 1002 A 23 ASN HB2 A 46 ILE HG21 1.0 2.08 3.06 1152 1003 A 23 ASN HB3 A 46 ILE HG21 1.0 2.21 2.85 1153 1004 A 46 ILE HB A 46 ILE HG21 1.0 1.94 2.40 1154 1005 A 46 ILE HG21 A 46 ILE HG1x 1.0 1.42 2.28 1155 1005 A 46 ILE HG1y A 46 ILE HG21 1.0 1.42 2.28 1156 1006 A 46 ILE HG21 A 48 PRO HA 1.0 2.85 4.03 1157 1007 A 52 ALA HB1 A 46 ILE HG21 1.0 1.99 6.00 1158 1008 A 23 ASN HB3 A 46 ILE H 1.0 3.28 6.00 1159 1009 A 28 ALA HA A 46 ILE H 1.0 2.90 5.64 1160 1010 A 28 ALA HB1 A 46 ILE H 1.0 3.19 4.79 1161 1011 A 29 VAL H A 46 ILE H 1.0 2.57 3.49 1162 1012 A 30 SER HB2 A 46 ILE H 1.0 0.00 6.00 1163 1013 A 30 SER HB3 A 46 ILE H 1.0 0.00 6.00 1164 1014 A 46 ILE H A 30 SER H 1.0 0.00 6.00 1165 1015 A 46 ILE H A 31 VAL H 1.0 3.20 4.78 1166 1016 A 45 VAL HA A 46 ILE H 1.0 1.87 2.31 1167 1017 A 45 VAL HGx% A 46 ILE H 1.0 3.27 4.95 1168 1018 A 45 VAL HGy% A 46 ILE H 1.0 2.31 3.03 1169 1019 A 45 VAL H A 46 ILE H 1.0 2.87 5.51 1170 1020 A 46 ILE HA A 46 ILE H 1.0 2.52 3.40 1171 1021 A 46 ILE HB A 46 ILE H 1.0 2.03 2.97 1172 1022 A 46 ILE HD11 A 46 ILE H 1.0 3.18 4.76 1173 1023 A 46 ILE HG21 A 46 ILE H 1.0 2.67 3.67 1174 1024 A 47 GLU HA A 46 ILE HD11 1.0 2.47 6.00 1175 1025 A 47 GLU HA A 46 ILE HG1x 1.0 2.42 5.78 1176 1025 A 46 ILE HG1y A 47 GLU HA 1.0 2.42 5.78 1177 1026 A 48 PRO HB2 A 47 GLU HA 1.0 2.45 6.00 1178 1027 A 28 ALA HA A 47 GLU HB2 1.0 2.49 6.00 1179 1028 A 28 ALA HB1 A 47 GLU HB2 1.0 3.12 6.00 1180 1029 A 47 GLU HA A 47 GLU HB2 1.0 2.56 3.48 1181 1030 A 47 GLU HB3 A 47 GLU HB2 1.0 1.66 2.22 1182 1031 A 47 GLU HG3 A 47 GLU HB2 1.0 1.74 2.38 1183 1032 A 48 PRO HA A 47 GLU HB2 1.0 1.94 6.00 1184 1033 A 48 PRO HD2 A 47 GLU HB2 1.0 3.37 5.23 1185 1034 A 48 PRO HD3 A 47 GLU HB2 1.0 3.56 5.70 1186 1035 A 28 ALA HA A 47 GLU HB3 1.0 1.88 6.00 1187 1036 A 47 GLU HA A 47 GLU HB3 1.0 2.35 3.09 1188 1037 A 47 GLU HG2 A 47 GLU HB3 1.0 1.97 2.47 1189 1038 A 48 PRO HD2 A 47 GLU HB3 1.0 2.58 3.52 1190 1039 A 28 ALA HB1 A 47 GLU HG2 1.0 2.45 6.00 1191 1040 A 45 VAL HGy% A 47 GLU HG2 1.0 2.40 3.88 1192 1041 A 47 GLU HG2 A 46 ILE HG1x 1.0 1.10 6.00 1193 1041 A 46 ILE HG1y A 47 GLU HG2 1.0 1.10 6.00 1194 1042 A 47 GLU HA A 47 GLU HG2 1.0 1.94 3.32 1195 1043 A 47 GLU HG2 A 47 GLU HB2 1.0 2.21 3.39 1196 1044 A 47 GLU HG2 A 47 GLU HG3 1.0 1.45 2.20 1197 1045 A 48 PRO HD3 A 47 GLU HG2 1.0 2.48 6.00 1198 1046 A 28 ALA HB1 A 47 GLU HG3 1.0 3.08 6.00 1199 1047 A 47 GLU HG3 A 46 ILE HG1x 1.0 1.84 6.00 1200 1047 A 46 ILE HG1y A 47 GLU HG3 1.0 1.84 6.00 1201 1048 A 47 GLU HA A 47 GLU HG3 1.0 2.67 4.73 1202 1049 A 47 GLU HG3 A 47 GLU HB3 1.0 2.29 3.59 1203 1050 A 47 GLU HG3 A 48 PRO HD2 1.0 3.26 6.00 1204 1051 A 28 ALA HB1 A 47 GLU H 1.0 2.87 5.49 1205 1052 A 45 VAL HGy% A 47 GLU H 1.0 2.98 6.00 1206 1053 A 46 ILE HA A 47 GLU H 1.0 1.99 2.49 1207 1054 A 46 ILE HB A 47 GLU H 1.0 0.00 6.00 1208 1055 A 46 ILE HD11 A 47 GLU H 1.0 3.10 6.00 1209 1056 A 47 GLU H A 46 ILE HG1x 1.0 2.42 3.20 1210 1056 A 46 ILE HG1y A 47 GLU H 1.0 2.42 3.20 1211 1057 A 46 ILE HG21 A 47 GLU H 1.0 0.00 6.00 1212 1058 A 47 GLU HA A 47 GLU H 1.0 2.47 3.29 1213 1059 A 47 GLU HB2 A 47 GLU H 1.0 2.59 3.53 1214 1060 A 47 GLU HB3 A 47 GLU H 1.0 2.83 3.99 1215 1061 A 47 GLU HG2 A 47 GLU H 1.0 3.05 4.47 1216 1062 A 47 GLU HG3 A 47 GLU H 1.0 2.27 3.55 1217 1063 A 48 PRO HD2 A 47 GLU H 1.0 3.54 5.64 1218 1064 A 48 PRO HD3 A 47 GLU H 1.0 3.04 6.00 1219 1065 A 50 GLY HA3 A 47 GLU H 1.0 0.00 6.00 1220 1066 A 48 PRO HA A 26 ALA HA 1.0 2.00 5.92 1221 1067 A 48 PRO HA A 26 ALA HB1 1.0 1.17 6.00 1222 1068 A 48 PRO HA A 28 ALA HB1 1.0 2.49 6.00 1223 1069 A 48 PRO HA A 9 CYS HBx 1.0 0.00 6.00 1224 1069 A 9 CYS HBy A 48 PRO HA 1.0 0.00 6.00 1225 1070 A 48 PRO HB2 A 26 ALA HA 1.0 3.52 5.60 1226 1071 A 48 PRO HB2 A 27 ASP HA 1.0 3.17 6.00 1227 1072 A 48 PRO HB2 A 28 ALA HA 1.0 1.43 6.00 1228 1073 A 48 PRO HB2 A 28 ALA HB1 1.0 2.94 5.82 1229 1074 A 48 PRO HA A 48 PRO HB2 1.0 2.71 3.75 1230 1075 A 48 PRO HB2 A 48 PRO HG3 1.0 2.29 3.59 1231 1076 A 26 ALA HA A 48 PRO HB3 1.0 1.51 2.53 1232 1077 A 27 ASP HA A 48 PRO HB3 1.0 3.07 4.51 1233 1078 A 48 PRO HB3 A 28 ALA HA 1.0 3.12 6.00 1234 1079 A 48 PRO HA A 48 PRO HB3 1.0 2.24 2.90 1235 1080 A 48 PRO HB2 A 48 PRO HB3 1.0 1.53 2.20 1236 1081 A 48 PRO HB3 A 48 PRO HG2 1.0 1.75 2.75 1237 1082 A 27 ASP HA A 48 PRO HD2 1.0 2.95 5.85 1238 1083 A 48 PRO HD2 A 46 ILE HG1x 1.0 0.00 6.00 1239 1083 A 46 ILE HG1y A 48 PRO HD2 1.0 0.00 6.00 1240 1084 A 47 GLU HA A 48 PRO HD2 1.0 1.64 2.20 1241 1085 A 47 GLU HG2 A 48 PRO HD2 1.0 3.30 5.02 1242 1086 A 48 PRO HA A 48 PRO HD2 1.0 2.33 5.05 1243 1087 A 48 PRO HB2 A 48 PRO HD2 1.0 2.84 4.02 1244 1088 A 48 PRO HB3 A 48 PRO HD2 1.0 2.16 4.12 1245 1089 A 48 PRO HD3 A 48 PRO HD2 1.0 1.80 2.20 1246 1090 A 48 PRO HG2 A 48 PRO HD2 1.0 2.12 2.70 1247 1091 A 49 GLY H A 48 PRO HD2 1.0 0.00 6.00 1248 1092 A 48 PRO HD3 A 28 ALA HA 1.0 1.96 2.44 1249 1093 A 48 PRO HD3 A 28 ALA HB1 1.0 2.49 3.33 1250 1094 A 29 VAL HGx% A 48 PRO HD3 1.0 0.00 6.00 1251 1095 A 48 PRO HD3 A 47 GLU HA 1.0 2.23 2.89 1252 1096 A 48 PRO HD3 A 47 GLU HB3 1.0 2.94 5.82 1253 1097 A 48 PRO HD3 A 47 GLU HG3 1.0 3.21 6.00 1254 1098 A 48 PRO HA A 48 PRO HD3 1.0 2.14 4.10 1255 1099 A 48 PRO HB2 A 48 PRO HD3 1.0 3.36 5.18 1256 1100 A 48 PRO HD3 A 48 PRO HB3 1.0 2.10 3.88 1257 1101 A 48 PRO HD3 A 48 PRO HG3 1.0 2.28 2.96 1258 1102 A 27 ASP HA A 48 PRO HG2 1.0 3.43 5.37 1259 1103 A 48 PRO HG2 A 27 ASP HB2 1.0 0.45 6.00 1260 1104 A 48 PRO HG2 A 28 ALA HA 1.0 3.09 6.00 1261 1105 A 48 PRO HG2 A 47 GLU HA 1.0 2.44 5.92 1262 1106 A 48 PRO HA A 48 PRO HG2 1.0 2.53 4.23 1263 1107 A 48 PRO HB2 A 48 PRO HG2 1.0 1.67 2.25 1264 1108 A 48 PRO HD3 A 48 PRO HG2 1.0 2.80 3.92 1265 1109 A 48 PRO HG3 A 27 ASP HA 1.0 1.96 2.80 1266 1110 A 48 PRO HG3 A 27 ASP HB3 1.0 2.49 6.00 1267 1111 A 48 PRO HG3 A 28 ALA HA 1.0 3.14 6.00 1268 1112 A 48 PRO HG3 A 47 GLU HA 1.0 3.64 5.94 1269 1113 A 48 PRO HA A 48 PRO HG3 1.0 3.18 4.76 1270 1114 A 48 PRO HG3 A 48 PRO HB3 1.0 1.75 2.20 1271 1115 A 48 PRO HG3 A 48 PRO HD2 1.0 2.33 3.69 1272 1116 A 48 PRO HG3 A 48 PRO HG2 1.0 1.63 2.20 1273 1117 A 49 GLY HA3 A 49 GLY HA2 1.0 1.55 2.29 1274 1118 A 48 PRO HB2 A 49 GLY HA2 1.0 2.26 4.68 1275 1119 A 10 VAL HA A 49 GLY H 1.0 0.00 6.00 1276 1120 A 23 ASN HB2 A 49 GLY H 1.0 3.02 4.40 1277 1121 A 23 ASN HB3 A 49 GLY H 1.0 2.46 3.28 1278 1122 A 24 GLY HA2 A 49 GLY H 1.0 2.50 6.00 1279 1123 A 46 ILE HB A 49 GLY H 1.0 0.00 6.00 1280 1124 A 49 GLY H A 46 ILE HG1x 1.0 2.49 6.00 1281 1124 A 46 ILE HG1y A 49 GLY H 1.0 2.49 6.00 1282 1125 A 46 ILE HG21 A 49 GLY H 1.0 2.39 5.51 1283 1126 A 48 PRO HA A 49 GLY H 1.0 2.03 2.55 1284 1127 A 48 PRO HB2 A 49 GLY H 1.0 2.36 5.24 1285 1128 A 49 GLY H A 48 PRO HB3 1.0 3.36 5.20 1286 1129 A 49 GLY H A 49 GLY HA3 1.0 2.44 3.26 1287 1130 A 49 GLY H A 49 GLY HA2 1.0 2.53 3.41 1288 1131 A 50 GLY HA3 A 47 GLU HB3 1.0 0.00 6.00 1289 1132 A 23 ASN HB3 A 50 GLY HA2 1.0 3.10 4.58 1290 1133 A 50 GLY HA2 A 47 GLU HG2 1.0 0.00 6.00 1291 1134 A 50 GLY HA2 A 47 GLU HG3 1.0 2.92 4.20 1292 1135 A 50 GLY HA2 A 47 GLU H 1.0 3.06 4.48 1293 1136 A 50 GLY HA3 A 50 GLY HA2 1.0 1.80 2.20 1294 1137 A 22 HIS HA A 50 GLY H 1.0 2.47 6.00 1295 1138 A 23 ASN HB2 A 50 GLY H 1.0 2.63 4.59 1296 1139 A 23 ASN HB3 A 50 GLY H 1.0 2.41 3.91 1297 1140 A 46 ILE HB A 50 GLY H 1.0 0.00 6.00 1298 1141 A 50 GLY H A 46 ILE HG1x 1.0 2.80 3.92 1299 1141 A 46 ILE HG1y A 50 GLY H 1.0 2.80 3.92 1300 1142 A 46 ILE HG21 A 50 GLY H 1.0 2.32 5.04 1301 1143 A 47 GLU HG2 A 50 GLY H 1.0 0.00 6.00 1302 1144 A 47 GLU HG3 A 50 GLY H 1.0 3.40 5.28 1303 1145 A 47 GLU H A 50 GLY H 1.0 2.38 5.42 1304 1146 A 48 PRO HA A 50 GLY H 1.0 3.03 4.43 1305 1147 A 49 GLY HA3 A 50 GLY H 1.0 2.88 4.10 1306 1148 A 49 GLY HA2 A 50 GLY H 1.0 2.97 4.29 1307 1149 A 49 GLY H A 50 GLY H 1.0 2.06 2.60 1308 1150 A 50 GLY HA3 A 50 GLY H 1.0 2.54 3.44 1309 1151 A 50 GLY HA2 A 50 GLY H 1.0 2.21 2.85 1310 1152 A 51 TRP HA A 50 GLY H 1.0 2.43 5.93 1311 1153 A 50 GLY H A 51 TRP H 1.0 2.82 5.30 1312 1154 A 10 VAL HGy% A 51 TRP HA 1.0 3.04 6.00 1313 1155 A 21 VAL HGx% A 51 TRP HA 1.0 3.14 6.00 1314 1156 A 21 VAL H A 51 TRP HA 1.0 2.87 5.51 1315 1157 A 51 TRP HA A 22 HIS HA 1.0 2.41 3.19 1316 1158 A 51 TRP HA A 22 HIS HBy 1.0 3.56 5.72 1317 1158 A 22 HIS HBx A 51 TRP HA 1.0 3.56 5.72 1318 1159 A 22 HIS H A 51 TRP HA 1.0 2.93 5.77 1319 1160 A 51 TRP HA A 23 ASN H 1.0 2.85 4.05 1320 1161 A 51 TRP HA A 31 VAL HGy% 1.0 3.02 6.00 1321 1161 A 31 VAL HGx% A 51 TRP HA 1.0 3.02 6.00 1322 1162 A 51 TRP HA A 50 GLY HA2 1.0 3.01 6.00 1323 1163 A 51 TRP HA A 51 TRP HB2 1.0 2.92 4.18 1324 1164 A 51 TRP HA A 51 TRP HB3 1.0 2.43 3.97 1325 1165 A 51 TRP HA A 51 TRP H 1.0 2.79 3.91 1326 1166 A 52 ALA HB1 A 51 TRP HA 1.0 2.75 5.01 1327 1167 A 51 TRP HB3 A 51 TRP HB2 1.0 1.80 2.92 1328 1168 A 51 TRP HD1 A 20 ASP HA 1.0 3.06 6.00 1329 1169 A 51 TRP HD1 A 20 ASP HB2 1.0 2.33 5.07 1330 1170 A 21 VAL HA A 51 TRP HD1 1.0 3.43 5.35 1331 1171 A 51 TRP HD1 A 22 HIS HBy 1.0 2.29 3.57 1332 1171 A 22 HIS HBx A 51 TRP HD1 1.0 2.29 3.57 1333 1172 A 51 TRP HD1 A 22 HIS H 1.0 3.50 5.54 1334 1173 A 51 TRP HD1 A 50 GLY HA3 1.0 2.74 3.82 1335 1174 A 51 TRP HD1 A 50 GLY HA2 1.0 3.16 4.70 1336 1175 A 51 TRP HD1 A 51 TRP HA 1.0 2.39 3.85 1337 1176 A 51 TRP HD1 A 51 TRP HB2 1.0 3.09 4.55 1338 1177 A 51 TRP HD1 A 51 TRP HB3 1.0 2.76 3.84 1339 1178 A 51 TRP HD1 A 51 TRP HE1 1.0 2.38 3.14 1340 1179 A 51 TRP HD1 A 51 TRP H 1.0 2.81 3.95 1341 1180 A 51 TRP HD1 A 51 TRP HZ2 1.0 0.00 6.00 1342 1181 A 21 VAL H A 51 TRP HE1 1.0 2.49 6.00 1343 1182 A 22 HIS HA A 51 TRP HE1 1.0 2.50 6.00 1344 1183 A 51 TRP HA A 51 TRP HE1 1.0 2.49 6.00 1345 1184 A 20 ASP HA A 51 TRP HE3 1.0 3.01 4.39 1346 1185 A 51 TRP HE3 A 21 VAL H 1.0 3.39 5.25 1347 1186 A 51 TRP HE3 A 22 HIS HBy 1.0 2.44 6.00 1348 1187 A 51 TRP HE3 A 51 TRP HA 1.0 3.31 5.05 1349 1188 A 51 TRP HE3 A 51 TRP HB2 1.0 2.63 3.61 1350 1189 A 51 TRP HE3 A 51 TRP HB3 1.0 2.35 3.75 1351 1190 A 51 TRP HE3 A 51 TRP HZ2 1.0 0.00 6.00 1352 1191 A 52 ALA H A 51 TRP HE3 1.0 3.24 4.90 1353 1192 A 23 ASN H A 51 TRP H 1.0 2.46 6.00 1354 1193 A 51 TRP H A 46 ILE HG1x 1.0 2.76 3.86 1355 1193 A 46 ILE HG1y A 51 TRP H 1.0 2.76 3.86 1356 1194 A 50 GLY HA3 A 51 TRP H 1.0 2.10 2.66 1357 1195 A 50 GLY HA2 A 51 TRP H 1.0 2.42 3.20 1358 1196 A 51 TRP H A 51 TRP HB2 1.0 2.45 4.03 1359 1197 A 51 TRP HB3 A 51 TRP H 1.0 3.07 4.51 1360 1198 A 20 ASP HA A 51 TRP HZ2 1.0 3.23 6.00 1361 1199 A 20 ASP HB3 A 51 TRP HZ2 1.0 3.02 4.40 1362 1200 A 51 TRP HZ2 A 22 HIS HBy 1.0 2.88 5.52 1363 1201 A 51 TRP HZ2 A 51 TRP HE1 1.0 2.62 3.58 1364 1202 A 52 ALA HA A 31 VAL HGy% 1.0 1.99 6.00 1365 1202 A 31 VAL HGx% A 52 ALA HA 1.0 1.99 6.00 1366 1203 A 52 ALA HA A 31 VAL HGy% 1.0 2.46 6.00 1367 1204 A 52 ALA HA A 46 ILE HD11 1.0 2.39 5.51 1368 1205 A 10 VAL HGx% A 52 ALA HB1 1.0 0.00 6.00 1369 1206 A 52 ALA HB1 A 21 VAL HB 1.0 2.68 4.76 1370 1207 A 21 VAL HGy% A 52 ALA HB1 1.0 2.12 3.18 1371 1208 A 52 ALA HB1 A 44 ARG HD3 1.0 2.06 3.76 1372 1209 A 52 ALA HB1 A 46 ILE HB 1.0 0.00 6.00 1373 1210 A 52 ALA HB1 A 46 ILE HD11 1.0 1.85 2.59 1374 1211 A 52 ALA HB1 A 52 ALA HA 1.0 2.10 2.68 1375 1212 A 52 ALA HB1 A 53 THR H 1.0 3.10 4.58 1376 1213 A 67 LEU HDx% A 52 ALA HB1 1.0 2.74 4.98 1377 1214 A 19 THR HG21 A 52 ALA H 1.0 2.50 6.00 1378 1215 A 52 ALA H A 20 ASP HB2 1.0 2.49 6.00 1379 1216 A 52 ALA H A 21 VAL HGx% 1.0 2.15 4.11 1380 1217 A 21 VAL HGy% A 52 ALA H 1.0 3.16 4.72 1381 1218 A 52 ALA H A 22 HIS HA 1.0 3.26 4.94 1382 1219 A 52 ALA H A 22 HIS H 1.0 0.00 6.00 1383 1220 A 52 ALA H A 46 ILE HD11 1.0 2.95 4.25 1384 1221 A 52 ALA H A 51 TRP HA 1.0 2.20 2.82 1385 1222 A 52 ALA H A 51 TRP HB2 1.0 3.45 5.41 1386 1223 A 52 ALA H A 51 TRP HB3 1.0 2.43 3.95 1387 1224 A 52 ALA H A 51 TRP HD1 1.0 2.46 6.00 1388 1225 A 52 ALA H A 51 TRP H 1.0 2.93 5.77 1389 1226 A 52 ALA H A 52 ALA HA 1.0 2.65 3.65 1390 1227 A 52 ALA HB1 A 52 ALA H 1.0 2.47 3.29 1391 1228 A 52 ALA H A 53 THR HA 1.0 2.43 5.87 1392 1229 A 52 ALA H A 53 THR HB 1.0 2.49 6.00 1393 1230 A 52 ALA H A 53 THR HG21 1.0 2.46 6.00 1394 1231 A 18 TYR HD% A 53 THR HA 1.0 2.77 5.11 1395 1232 A 19 THR HB A 53 THR HA 1.0 3.10 6.00 1396 1233 A 20 ASP HB2 A 53 THR HA 1.0 0.00 6.00 1397 1234 A 21 VAL HGx% A 53 THR HA 1.0 3.14 4.66 1398 1235 A 52 ALA HB1 A 53 THR HA 1.0 3.15 6.00 1399 1236 A 53 THR HG21 A 53 THR HA 1.0 2.29 3.57 1400 1237 A 53 THR HA A 53 THR H 1.0 2.60 4.48 1401 1238 A 54 PHE HE% A 53 THR HA 1.0 2.42 5.80 1402 1239 A 64 VAL HGx% A 53 THR HA 1.0 0.00 6.00 1403 1240 A 53 THR HA A 53 THR HB 1.0 2.71 4.85 1404 1241 A 18 TYR HB3 A 53 THR HG21 1.0 0.00 6.00 1405 1242 A 53 THR HG21 A 18 TYR HD% 1.0 2.49 4.13 1406 1243 A 53 THR HG21 A 19 THR H 1.0 2.80 5.22 1407 1244 A 53 THR HG21 A 20 ASP HA 1.0 3.00 6.00 1408 1245 A 53 THR HG21 A 53 THR HB 1.0 2.09 3.09 1409 1246 A 53 THR HG21 A 55 ALA HB1 1.0 0.00 6.00 1410 1247 A 64 VAL HGx% A 53 THR HG21 1.0 0.00 6.00 1411 1248 A 20 ASP HA A 53 THR H 1.0 2.49 6.00 1412 1249 A 52 ALA HA A 53 THR H 1.0 2.06 3.02 1413 1250 A 52 ALA H A 53 THR H 1.0 2.47 6.00 1414 1251 A 53 THR H A 53 THR HB 1.0 2.39 3.85 1415 1252 A 53 THR HG21 A 53 THR H 1.0 3.44 5.40 1416 1253 A 54 PHE HE% A 53 THR H 1.0 2.50 6.00 1417 1254 A 53 THR HG21 A 54 PHE HA 1.0 0.00 6.00 1418 1255 A 54 PHE HB2 A 54 PHE HA 1.0 1.90 4.28 1419 1256 A 19 THR HB A 54 PHE HB2 1.0 2.16 2.78 1420 1257 A 19 THR HG21 A 54 PHE HB2 1.0 1.98 2.86 1421 1258 A 21 VAL HGx% A 54 PHE HB2 1.0 2.07 3.79 1422 1259 A 67 LEU HDx% A 54 PHE HB2 1.0 1.89 6.00 1423 1260 A 67 LEU HDy% A 54 PHE HB2 1.0 2.39 5.49 1424 1261 A 54 PHE HB3 A 54 PHE HA 1.0 2.27 3.55 1425 1262 A 54 PHE HB3 A 54 PHE HB2 1.0 1.76 2.40 1426 1263 A 54 PHE HB3 A 54 PHE HE% 1.0 2.82 5.26 1427 1264 A 54 PHE HB3 A 54 PHE H 1.0 2.90 5.60 1428 1265 A 54 PHE HD% A 12 TYR HE% 1.0 0.00 6.00 1429 1266 A 54 PHE HD% A 19 THR HB 1.0 2.95 5.87 1430 1267 A 19 THR HG21 A 54 PHE HD% 1.0 2.70 4.80 1431 1268 A 54 PHE HD% A 21 VAL HB 1.0 2.24 4.52 1432 1269 A 21 VAL HGy% A 54 PHE HD% 1.0 3.03 4.41 1433 1270 A 54 PHE HD% A 32 THR HA 1.0 0.00 6.00 1434 1271 A 54 PHE HD% A 33 VAL HGy% 1.0 2.47 4.07 1435 1272 A 54 PHE HD% A 41 ALA HB1 1.0 2.15 3.23 1436 1273 A 54 PHE HD% A 44 ARG HBx 1.0 2.74 4.98 1437 1273 A 54 PHE HD% A 44 ARG HBy 1.0 2.74 4.98 1438 1274 A 54 PHE HD% A 44 ARG HG3 1.0 1.95 6.00 1439 1275 A 52 ALA HB1 A 54 PHE HD% 1.0 2.80 3.94 1440 1276 A 54 PHE HD% A 53 THR HA 1.0 2.68 4.74 1441 1277 A 54 PHE HD% A 54 PHE HA 1.0 2.45 4.03 1442 1278 A 54 PHE HD% A 54 PHE HB2 1.0 2.26 3.50 1443 1279 A 54 PHE HD% A 54 PHE HB3 1.0 2.47 4.09 1444 1280 A 54 PHE HD% A 54 PHE HE% 1.0 1.45 2.20 1445 1281 A 54 PHE HD% A 55 ALA HB1 1.0 3.39 5.27 1446 1282 A 54 PHE HD% A 64 VAL HGx% 1.0 3.24 4.88 1447 1283 A 67 LEU HDx% A 54 PHE HD% 1.0 3.13 6.00 1448 1284 A 67 LEU HDy% A 54 PHE HD% 1.0 2.99 6.00 1449 1285 A 10 VAL HGy% A 54 PHE HE% 1.0 1.94 6.00 1450 1286 A 54 PHE HE% A 21 VAL HB 1.0 3.11 4.61 1451 1287 A 21 VAL HGy% A 54 PHE HE% 1.0 3.36 5.18 1452 1288 A 54 PHE HE% A 31 VAL HGy% 1.0 2.14 4.08 1453 1288 A 31 VAL HGx% A 54 PHE HE% 1.0 2.14 4.08 1454 1289 A 54 PHE HE% A 31 VAL HGy% 1.0 2.57 4.39 1455 1290 A 54 PHE HE% A 32 THR HA 1.0 3.24 4.90 1456 1291 A 33 VAL HGx% A 54 PHE HE% 1.0 2.70 4.84 1457 1292 A 33 VAL HGy% A 54 PHE HE% 1.0 2.70 3.72 1458 1293 A 54 PHE HE% A 41 ALA HB1 1.0 2.43 3.23 1459 1294 A 54 PHE HE% A 44 ARG HG2 1.0 1.98 6.00 1460 1295 A 52 ALA HB1 A 54 PHE HE% 1.0 1.98 3.46 1461 1296 A 54 PHE HE% A 54 PHE HA 1.0 2.99 4.33 1462 1297 A 54 PHE HE% A 54 PHE HB2 1.0 2.24 4.52 1463 1298 A 54 PHE HE% A 55 ALA H 1.0 0.00 6.00 1464 1299 A 64 VAL HGx% A 54 PHE HE% 1.0 0.00 6.00 1465 1300 A 67 LEU HDx% A 54 PHE HE% 1.0 2.50 6.00 1466 1301 A 67 LEU HDy% A 54 PHE HE% 1.0 2.89 5.61 1467 1302 A 18 TYR HB2 A 54 PHE H 1.0 0.00 6.00 1468 1303 A 18 TYR H A 54 PHE H 1.0 2.50 6.00 1469 1304 A 19 THR HB A 54 PHE H 1.0 2.49 4.13 1470 1305 A 19 THR HG21 A 54 PHE H 1.0 2.25 4.63 1471 1306 A 20 ASP HA A 54 PHE H 1.0 3.16 4.70 1472 1307 A 20 ASP H A 54 PHE H 1.0 0.00 6.00 1473 1308 A 54 PHE H A 53 THR HA 1.0 2.00 2.92 1474 1309 A 54 PHE H A 53 THR HB 1.0 2.96 5.88 1475 1310 A 53 THR HG21 A 54 PHE H 1.0 2.42 3.92 1476 1311 A 54 PHE H A 54 PHE HA 1.0 2.87 4.09 1477 1312 A 54 PHE H A 54 PHE HB2 1.0 2.71 3.77 1478 1313 A 54 PHE HD% A 54 PHE H 1.0 3.28 5.00 1479 1314 A 54 PHE HE% A 54 PHE H 1.0 2.37 5.39 1480 1315 A 18 TYR HA A 55 ALA HB1 1.0 2.50 6.00 1481 1316 A 19 THR HB A 55 ALA HB1 1.0 2.39 5.55 1482 1317 A 35 TYR HE% A 55 ALA HB1 1.0 2.88 4.10 1483 1318 A 55 ALA HA A 55 ALA HB1 1.0 1.96 2.82 1484 1319 A 55 ALA HB1 A 55 ALA H 1.0 2.14 4.10 1485 1320 A 55 ALA HB1 A 62 ASN HA 1.0 0.00 6.00 1486 1321 A 19 THR HB A 55 ALA H 1.0 2.49 6.00 1487 1322 A 19 THR HG21 A 55 ALA H 1.0 3.14 6.00 1488 1323 A 54 PHE HA A 55 ALA H 1.0 2.17 4.19 1489 1324 A 54 PHE HB2 A 55 ALA H 1.0 0.00 6.00 1490 1325 A 54 PHE HB3 A 55 ALA H 1.0 2.35 5.19 1491 1326 A 55 ALA HA A 55 ALA H 1.0 2.37 5.37 1492 1327 A 19 THR HA A 56 GLY HA3 1.0 2.43 5.85 1493 1328 A 56 GLY HA3 A 56 GLY HA2 1.0 1.70 2.30 1494 1329 A 56 GLY HA2 A 56 GLY H 1.0 2.19 3.33 1495 1330 A 18 TYR HA A 56 GLY H 1.0 2.88 4.10 1496 1331 A 18 TYR HB3 A 56 GLY H 1.0 0.00 6.00 1497 1332 A 18 TYR H A 56 GLY H 1.0 2.32 5.00 1498 1333 A 19 THR HG21 A 56 GLY H 1.0 2.50 6.00 1499 1334 A 19 THR H A 56 GLY H 1.0 2.29 4.79 1500 1335 A 55 ALA HA A 56 GLY H 1.0 2.11 3.15 1501 1336 A 55 ALA HB1 A 56 GLY H 1.0 3.49 5.51 1502 1337 A 56 GLY HA3 A 56 GLY H 1.0 2.17 4.19 1503 1338 A 57 TYR H A 56 GLY H 1.0 2.47 6.00 1504 1339 A 57 TYR HA A 62 ASN HB2 1.0 2.29 4.83 1505 1340 A 64 VAL HGx% A 57 TYR HA 1.0 2.43 5.89 1506 1341 A 57 TYR HA A 57 TYR HB2 1.0 2.13 3.19 1507 1342 A 57 TYR HB3 A 57 TYR HB2 1.0 1.59 2.20 1508 1343 A 64 VAL HGx% A 57 TYR HB2 1.0 2.50 6.00 1509 1344 A 57 TYR HA A 57 TYR HB3 1.0 2.39 3.15 1510 1345 A 14 GLN HA A 57 TYR HD% 1.0 0.00 6.00 1511 1346 A 57 TYR HD% A 14 GLN HBx 1.0 1.99 5.47 1512 1346 A 14 GLN HBy A 57 TYR HD% 1.0 1.99 5.47 1513 1347 A 57 TYR HA A 57 TYR HD% 1.0 3.46 5.44 1514 1348 A 57 TYR HB2 A 57 TYR HD% 1.0 2.35 3.09 1515 1349 A 57 TYR HB3 A 57 TYR HD% 1.0 2.52 3.40 1516 1350 A 57 TYR HD% A 57 TYR HE% 1.0 2.01 2.51 1517 1351 A 63 TYR HB2 A 57 TYR HD% 1.0 2.85 5.39 1518 1352 A 57 TYR HA A 57 TYR HE% 1.0 0.00 6.00 1519 1353 A 57 TYR HB2 A 57 TYR HE% 1.0 1.95 6.00 1520 1354 A 57 TYR HB3 A 57 TYR HE% 1.0 0.00 6.00 1521 1355 A 15 SER H A 57 TYR H 1.0 0.00 6.00 1522 1356 A 19 THR HB A 57 TYR H 1.0 0.00 6.00 1523 1357 A 56 GLY HA3 A 57 TYR H 1.0 2.92 4.18 1524 1358 A 56 GLY HA2 A 57 TYR H 1.0 2.46 3.28 1525 1359 A 57 TYR HA A 57 TYR H 1.0 2.54 3.44 1526 1360 A 57 TYR H A 57 TYR HB2 1.0 3.31 5.07 1527 1361 A 57 TYR H A 57 TYR HB3 1.0 2.61 4.51 1528 1362 A 57 TYR H A 57 TYR HD% 1.0 1.53 2.20 1529 1363 A 57 TYR H A 57 TYR HE% 1.0 2.96 4.28 1530 1364 A 57 TYR H A 63 TYR HB2 1.0 3.10 4.58 1531 1365 A 58 GLY HA3 A 58 GLY HA2 1.0 1.81 3.69 1532 1366 A 56 GLY H A 58 GLY H 1.0 2.46 6.00 1533 1367 A 57 TYR HA A 58 GLY H 1.0 2.17 4.21 1534 1368 A 57 TYR HB2 A 58 GLY H 1.0 2.49 6.00 1535 1369 A 57 TYR HB3 A 58 GLY H 1.0 0.00 6.00 1536 1370 A 57 TYR H A 58 GLY H 1.0 2.99 4.31 1537 1371 A 58 GLY HA3 A 58 GLY H 1.0 2.19 4.29 1538 1372 A 58 GLY HA2 A 58 GLY H 1.0 2.05 3.71 1539 1373 A 58 GLY H A 59 THR HA 1.0 2.45 6.00 1540 1374 A 58 GLY H A 61 GLY HA2 1.0 0.00 6.00 1541 1375 A 62 ASN HB2 A 58 GLY H 1.0 0.00 6.00 1542 1376 A 58 GLY HA3 A 59 THR H 1.0 2.38 5.42 1543 1377 A 58 GLY HA2 A 59 THR H 1.0 2.42 5.84 1544 1378 A 59 THR HA A 59 THR H 1.0 2.45 6.00 1545 1379 A 60 ASP HB2 A 60 ASP HA 1.0 2.89 4.13 1546 1380 A 60 ASP HA A 60 ASP HB3 1.0 2.43 3.23 1547 1381 A 60 ASP HB2 A 60 ASP HB3 1.0 1.65 2.20 1548 1382 A 59 THR HA A 60 ASP H 1.0 2.24 4.52 1549 1383 A 59 THR H A 60 ASP H 1.0 2.35 5.17 1550 1384 A 60 ASP HA A 60 ASP H 1.0 2.16 4.18 1551 1385 A 60 ASP HB2 A 60 ASP H 1.0 3.23 4.87 1552 1386 A 60 ASP HB3 A 60 ASP H 1.0 3.03 6.00 1553 1387 A 60 ASP H A 61 GLY HA3 1.0 0.00 6.00 1554 1388 A 61 GLY HA2 A 60 ASP H 1.0 2.48 6.00 1555 1389 A 60 ASP H A 61 GLY H 1.0 2.31 4.93 1556 1390 A 61 GLY HA2 A 61 GLY HA3 1.0 1.81 2.51 1557 1391 A 61 GLY HA3 A 61 GLY H 1.0 2.54 4.30 1558 1392 A 61 GLY HA3 A 62 ASN H 1.0 3.11 4.59 1559 1393 A 61 GLY HA2 A 61 GLY H 1.0 2.26 4.66 1560 1394 A 60 ASP HA A 61 GLY H 1.0 2.27 4.69 1561 1395 A 62 ASN HA A 61 GLY H 1.0 0.00 6.00 1562 1396 A 62 ASN HB2 A 62 ASN HA 1.0 2.22 3.40 1563 1397 A 36 THR HG21 A 62 ASN HB3 1.0 1.41 6.00 1564 1398 A 37 HIS HD2 A 62 ASN HB3 1.0 2.90 4.12 1565 1399 A 62 ASN HA A 62 ASN HB3 1.0 1.73 3.35 1566 1400 A 62 ASN HB2 A 62 ASN HB3 1.0 1.78 2.20 1567 1401 A 35 TYR HB3 A 62 ASN HD21 1.0 0.00 6.00 1568 1402 A 37 HIS HB3 A 62 ASN HD21 1.0 2.41 5.67 1569 1403 A 37 HIS HD2 A 62 ASN HD21 1.0 2.33 5.01 1570 1404 A 39 GLN HBx A 62 ASN HD21 1.0 0.00 6.00 1571 1405 A 62 ASN HD21 A 39 GLN HG2 1.0 1.96 6.00 1572 1406 A 62 ASN HA A 62 ASN HD21 1.0 0.00 6.00 1573 1407 A 62 ASN HB2 A 62 ASN HD21 1.0 2.96 4.26 1574 1408 A 62 ASN HB3 A 62 ASN HD21 1.0 2.70 3.72 1575 1409 A 35 TYR HB2 A 62 ASN HD22 1.0 0.00 6.00 1576 1410 A 35 TYR HB3 A 62 ASN HD22 1.0 0.00 6.00 1577 1411 A 37 HIS HB2 A 62 ASN HD22 1.0 2.40 5.54 1578 1412 A 37 HIS HB3 A 62 ASN HD22 1.0 3.25 4.91 1579 1413 A 37 HIS HD2 A 62 ASN HD22 1.0 0.00 6.00 1580 1414 A 37 HIS H A 62 ASN HD22 1.0 2.50 6.00 1581 1415 A 39 GLN HA A 62 ASN HD22 1.0 0.00 6.00 1582 1416 A 39 GLN HBx A 62 ASN HD22 1.0 2.37 5.29 1583 1417 A 62 ASN HA A 62 ASN HD22 1.0 2.49 6.00 1584 1418 A 62 ASN HB2 A 62 ASN HD22 1.0 2.90 5.60 1585 1419 A 62 ASN HB3 A 62 ASN HD22 1.0 2.83 5.31 1586 1420 A 62 ASN HD21 A 62 ASN HD22 1.0 1.82 2.22 1587 1421 A 35 TYR HB2 A 62 ASN H 1.0 2.47 6.00 1588 1422 A 36 THR HB A 62 ASN H 1.0 2.50 6.00 1589 1423 A 36 THR HG21 A 62 ASN H 1.0 2.49 6.00 1590 1424 A 57 TYR HB2 A 62 ASN H 1.0 0.00 6.00 1591 1425 A 61 GLY HA2 A 62 ASN H 1.0 2.11 3.93 1592 1426 A 61 GLY H A 62 ASN H 1.0 2.36 5.22 1593 1427 A 62 ASN HA A 62 ASN H 1.0 2.01 3.55 1594 1428 A 62 ASN HB2 A 62 ASN H 1.0 2.02 3.60 1595 1429 A 62 ASN HB3 A 62 ASN H 1.0 2.16 4.16 1596 1430 A 63 TYR HA A 63 TYR HB3 1.0 2.25 4.59 1597 1431 A 63 TYR HB2 A 63 TYR HA 1.0 2.21 4.39 1598 1432 A 63 TYR HB2 A 63 TYR HB3 1.0 1.84 2.26 1599 1433 A 36 THR HA A 63 TYR H 1.0 2.49 6.00 1600 1434 A 36 THR HB A 63 TYR H 1.0 2.05 3.71 1601 1435 A 36 THR HG21 A 63 TYR H 1.0 3.48 5.48 1602 1436 A 36 THR H A 63 TYR H 1.0 2.21 4.41 1603 1437 A 61 GLY HA2 A 63 TYR H 1.0 0.00 6.00 1604 1438 A 62 ASN HA A 63 TYR H 1.0 0.00 6.00 1605 1439 A 63 TYR HA A 63 TYR H 1.0 0.00 6.00 1606 1440 A 63 TYR HB2 A 63 TYR H 1.0 2.54 4.30 1607 1441 A 63 TYR HB3 A 63 TYR H 1.0 2.63 3.59 1608 1442 A 63 TYR H A 64 VAL H 1.0 2.41 5.71 1609 1443 A 64 VAL HA A 35 TYR HA 1.0 1.45 2.35 1610 1444 A 64 VAL HB A 64 VAL HA 1.0 1.93 2.77 1611 1445 A 64 VAL HB A 64 VAL HGx% 1.0 1.96 2.82 1612 1446 A 19 THR HA A 64 VAL HGx% 1.0 3.48 5.50 1613 1447 A 64 VAL HGx% A 19 THR HB 1.0 2.18 4.26 1614 1448 A 19 THR HG21 A 64 VAL HGx% 1.0 1.72 2.20 1615 1449 A 64 VAL HGx% A 35 TYR HA 1.0 2.46 6.00 1616 1450 A 64 VAL HGx% A 35 TYR HE% 1.0 2.14 3.22 1617 1451 A 64 VAL HGx% A 57 TYR HD% 1.0 0.00 6.00 1618 1452 A 64 VAL HGx% A 63 TYR HA 1.0 2.38 5.42 1619 1453 A 64 VAL HGx% A 63 TYR HB3 1.0 2.49 6.00 1620 1454 A 64 VAL HGx% A 64 VAL HA 1.0 2.64 3.62 1621 1455 A 64 VAL HGy% A 14 GLN HA 1.0 0.00 6.00 1622 1456 A 19 THR HG21 A 64 VAL HGy% 1.0 2.10 2.66 1623 1457 A 64 VAL HGy% A 35 TYR HA 1.0 2.50 6.00 1624 1458 A 64 VAL HGy% A 64 VAL HA 1.0 2.85 4.03 1625 1459 A 64 VAL HB A 64 VAL HGy% 1.0 2.05 2.99 1626 1460 A 64 VAL HGx% A 64 VAL HGy% 1.0 1.79 2.20 1627 1461 A 64 VAL HGy% A 65 THR HA 1.0 2.42 5.80 1628 1462 A 64 VAL HGy% A 66 GLY HA3 1.0 2.87 5.49 1629 1463 A 67 LEU HDx% A 64 VAL HGy% 1.0 2.87 5.49 1630 1464 A 33 VAL HGx% A 64 VAL H 1.0 2.49 6.00 1631 1465 A 35 TYR HD% A 64 VAL H 1.0 2.27 4.65 1632 1466 A 36 THR H A 64 VAL H 1.0 2.47 6.00 1633 1467 A 57 TYR HB2 A 64 VAL H 1.0 0.00 6.00 1634 1468 A 63 TYR HA A 64 VAL H 1.0 1.86 3.08 1635 1469 A 63 TYR HB2 A 64 VAL H 1.0 2.44 6.00 1636 1470 A 63 TYR HB3 A 64 VAL H 1.0 2.44 5.98 1637 1471 A 64 VAL HA A 64 VAL H 1.0 2.15 2.75 1638 1472 A 64 VAL HB A 64 VAL H 1.0 3.08 4.54 1639 1473 A 64 VAL HGx% A 64 VAL H 1.0 0.00 6.00 1640 1474 A 64 VAL HGy% A 64 VAL H 1.0 3.01 4.39 1641 1475 A 19 THR HG21 A 65 THR HA 1.0 0.00 6.00 1642 1476 A 65 THR HA A 65 THR HB 1.0 1.73 3.31 1643 1477 A 65 THR HG21 A 36 THR HA 1.0 2.48 3.32 1644 1478 A 65 THR HA A 65 THR HG21 1.0 2.52 3.38 1645 1479 A 65 THR HG21 A 65 THR HB 1.0 1.93 2.75 1646 1480 A 65 THR HG21 A 65 THR H 1.0 2.65 3.63 1647 1481 A 65 THR HG21 A 66 GLY H 1.0 3.40 5.28 1648 1482 A 33 VAL HGx% A 65 THR H 1.0 0.00 6.00 1649 1483 A 33 VAL HGy% A 65 THR H 1.0 0.00 6.00 1650 1484 A 34 GLU HB2 A 65 THR H 1.0 2.50 6.00 1651 1485 A 34 GLU HB3 A 65 THR H 1.0 2.43 5.91 1652 1486 A 34 GLU H A 65 THR H 1.0 2.45 6.00 1653 1487 A 35 TYR HA A 65 THR H 1.0 2.86 4.04 1654 1488 A 36 THR H A 65 THR H 1.0 2.98 4.32 1655 1489 A 65 THR H A 63 TYR HA 1.0 0.00 6.00 1656 1490 A 64 VAL HA A 65 THR H 1.0 2.13 2.71 1657 1491 A 64 VAL HB A 65 THR H 1.0 2.34 5.10 1658 1492 A 64 VAL HGx% A 65 THR H 1.0 0.00 6.00 1659 1493 A 64 VAL HGy% A 65 THR H 1.0 2.73 3.81 1660 1494 A 65 THR HA A 65 THR H 1.0 2.57 3.49 1661 1495 A 65 THR H A 65 THR HB 1.0 3.06 4.50 1662 1496 A 66 GLY HA3 A 34 GLU HB2 1.0 0.88 6.00 1663 1497 A 66 GLY HA3 A 66 GLY HA2 1.0 1.55 2.29 1664 1498 A 12 TYR HE% A 66 GLY HA2 1.0 3.39 5.27 1665 1499 A 64 VAL HGy% A 66 GLY HA2 1.0 2.96 5.92 1666 1500 A 65 THR HG21 A 66 GLY HA2 1.0 0.00 6.00 1667 1501 A 65 THR H A 66 GLY HA2 1.0 3.56 5.72 1668 1502 A 33 VAL HB A 66 GLY H 1.0 2.84 5.38 1669 1503 A 33 VAL HGx% A 66 GLY H 1.0 2.58 4.40 1670 1504 A 34 GLU HB2 A 66 GLY H 1.0 2.88 5.52 1671 1505 A 34 GLU HB3 A 66 GLY H 1.0 2.13 4.03 1672 1506 A 34 GLU H A 66 GLY H 1.0 1.98 3.46 1673 1507 A 35 TYR HA A 66 GLY H 1.0 3.54 5.66 1674 1508 A 36 THR H A 66 GLY H 1.0 0.00 6.00 1675 1509 A 64 VAL HA A 66 GLY H 1.0 3.56 5.70 1676 1510 A 64 VAL HB A 66 GLY H 1.0 3.18 6.00 1677 1511 A 64 VAL HGx% A 66 GLY H 1.0 0.00 6.00 1678 1512 A 64 VAL HGy% A 66 GLY H 1.0 2.49 3.35 1679 1513 A 65 THR HA A 66 GLY H 1.0 2.83 3.99 1680 1514 A 65 THR HB A 66 GLY H 1.0 3.20 4.82 1681 1515 A 65 THR H A 66 GLY H 1.0 1.55 2.29 1682 1516 A 66 GLY HA3 A 66 GLY H 1.0 2.79 3.91 1683 1517 A 66 GLY H A 66 GLY HA2 1.0 2.67 3.67 1684 1518 A 67 LEU HA A 66 GLY H 1.0 2.29 4.81 1685 1519 A 33 VAL HGx% A 67 LEU HA 1.0 1.96 4.92 1686 1520 A 33 VAL HGy% A 67 LEU HA 1.0 1.77 6.00 1687 1521 A 67 LEU HA A 6 VAL HGy% 1.0 1.95 6.00 1688 1521 A 6 VAL HGx% A 67 LEU HA 1.0 1.95 6.00 1689 1522 A 6 VAL HGx% A 67 LEU HA 1.0 2.41 5.71 1690 1523 A 67 LEU HB2 A 33 VAL HA 1.0 3.00 6.00 1691 1524 A 67 LEU HB2 A 6 VAL HGy% 1.0 1.89 4.21 1692 1524 A 6 VAL HGx% A 67 LEU HB2 1.0 1.89 4.21 1693 1525 A 6 VAL HGx% A 67 LEU HB2 1.0 2.68 4.72 1694 1526 A 67 LEU HB2 A 67 LEU HA 1.0 2.27 3.55 1695 1527 A 67 LEU HB2 A 68 HIS H 1.0 3.29 5.01 1696 1528 A 67 LEU HB3 A 67 LEU HA 1.0 2.63 3.61 1697 1529 A 67 LEU HB2 A 67 LEU HB3 1.0 1.44 2.20 1698 1530 A 10 VAL HA A 67 LEU HDx% 1.0 0.00 6.00 1699 1531 A 67 LEU HDx% A 10 VAL HGy% 1.0 1.59 2.20 1700 1532 A 67 LEU HDx% A 12 TYR HBy 1.0 2.40 3.86 1701 1532 A 67 LEU HDx% A 12 TYR HBx 1.0 2.40 3.86 1702 1533 A 67 LEU HDx% A 21 VAL HGy% 1.0 2.43 3.95 1703 1534 A 67 LEU HDx% A 31 VAL HB 1.0 3.41 5.29 1704 1535 A 67 LEU HDx% A 31 VAL HGy% 1.0 2.30 3.62 1705 1535 A 31 VAL HGx% A 67 LEU HDx% 1.0 2.30 3.62 1706 1536 A 67 LEU HDx% A 33 VAL HB 1.0 0.00 6.00 1707 1537 A 67 LEU HDx% A 33 VAL HGy% 1.0 1.57 6.00 1708 1538 A 67 LEU HDx% A 6 VAL HGy% 1.0 2.15 3.25 1709 1538 A 6 VAL HGx% A 67 LEU HDx% 1.0 2.15 3.25 1710 1539 A 67 LEU HDx% A 67 LEU HA 1.0 3.50 5.56 1711 1540 A 67 LEU HB2 A 67 LEU HDx% 1.0 1.89 2.33 1712 1541 A 67 LEU HB3 A 67 LEU HDx% 1.0 1.97 2.45 1713 1542 A 67 LEU HDy% A 10 VAL HGy% 1.0 2.19 3.33 1714 1543 A 67 LEU HDy% A 21 VAL HB 1.0 2.26 4.64 1715 1544 A 67 LEU HDy% A 21 VAL HGy% 1.0 2.16 3.26 1716 1545 A 31 VAL HA A 67 LEU HDy% 1.0 2.49 6.00 1717 1546 A 67 LEU HDy% A 31 VAL HB 1.0 2.48 4.12 1718 1547 A 67 LEU HDy% A 31 VAL HGy% 1.0 1.66 2.20 1719 1547 A 31 VAL HGx% A 67 LEU HDy% 1.0 1.66 2.20 1720 1548 A 67 LEU HDy% A 33 VAL HA 1.0 3.31 5.07 1721 1549 A 67 LEU HDy% A 34 GLU H 1.0 3.22 6.00 1722 1550 A 67 LEU HDy% A 6 VAL HGy% 1.0 1.97 2.85 1723 1550 A 6 VAL HGx% A 67 LEU HDy% 1.0 1.97 2.85 1724 1551 A 6 VAL HGx% A 67 LEU HDy% 1.0 1.65 2.20 1725 1552 A 67 LEU HDy% A 67 LEU HA 1.0 2.33 3.67 1726 1553 A 67 LEU HB2 A 67 LEU HDy% 1.0 2.41 3.19 1727 1554 A 67 LEU HB3 A 67 LEU HDy% 1.0 1.91 2.37 1728 1555 A 67 LEU HDy% A 67 LEU HDx% 1.0 1.73 2.20 1729 1556 A 67 LEU HDy% A 67 LEU H 1.0 3.21 6.00 1730 1557 A 68 HIS HB3 A 67 LEU HDy% 1.0 3.27 6.00 1731 1558 A 12 TYR HE% A 67 LEU H 1.0 0.00 6.00 1732 1559 A 34 GLU HB2 A 67 LEU H 1.0 0.00 6.00 1733 1560 A 5 PRO HB2 A 67 LEU H 1.0 0.00 6.00 1734 1561 A 5 PRO HB3 A 67 LEU H 1.0 0.00 6.00 1735 1562 A 6 VAL HGx% A 67 LEU H 1.0 0.00 6.00 1736 1563 A 66 GLY HA3 A 67 LEU H 1.0 1.71 2.67 1737 1564 A 66 GLY HA2 A 67 LEU H 1.0 2.15 4.11 1738 1565 A 66 GLY H A 67 LEU H 1.0 0.00 6.00 1739 1566 A 67 LEU HA A 67 LEU H 1.0 1.97 3.43 1740 1567 A 67 LEU HB2 A 67 LEU H 1.0 0.00 6.00 1741 1568 A 67 LEU HB3 A 67 LEU H 1.0 2.24 4.52 1742 1569 A 67 LEU HDx% A 67 LEU H 1.0 2.45 6.00 1743 1570 A 5 PRO HA A 68 HIS HA 1.0 2.19 4.29 1744 1571 A 68 HIS HA A 5 PRO HB3 1.0 0.00 6.00 1745 1572 A 68 HIS HA A 6 VAL HGy% 1.0 2.01 3.57 1746 1572 A 6 VAL HGx% A 68 HIS HA 1.0 2.01 3.57 1747 1573 A 68 HIS HA A 67 LEU HA 1.0 2.36 5.28 1748 1574 A 68 HIS HA A 69 THR HB 1.0 1.72 6.00 1749 1575 A 68 HIS HA A 69 THR HG21 1.0 1.84 6.00 1750 1576 A 68 HIS HB2 A 6 VAL HGy% 1.0 0.00 6.00 1751 1576 A 6 VAL HGx% A 68 HIS HB2 1.0 0.00 6.00 1752 1577 A 68 HIS HA A 68 HIS HB2 1.0 2.68 3.68 1753 1578 A 6 VAL HA A 68 HIS HB3 1.0 2.48 6.00 1754 1579 A 68 HIS HB3 A 6 VAL HGy% 1.0 2.87 4.09 1755 1579 A 6 VAL HGx% A 68 HIS HB3 1.0 2.87 4.09 1756 1580 A 68 HIS HA A 68 HIS HB3 1.0 2.41 3.93 1757 1581 A 68 HIS HB3 A 68 HIS HB2 1.0 1.76 2.20 1758 1582 A 68 HIS H A 68 HIS HB3 1.0 3.18 4.74 1759 1583 A 33 VAL HA A 68 HIS HD2 1.0 0.00 6.00 1760 1584 A 34 GLU HB2 A 68 HIS HD2 1.0 2.77 5.09 1761 1585 A 34 GLU HB3 A 68 HIS HD2 1.0 2.81 5.25 1762 1586 A 67 LEU HB2 A 68 HIS HD2 1.0 0.00 6.00 1763 1587 A 68 HIS HA A 68 HIS HD2 1.0 2.94 5.82 1764 1588 A 68 HIS HB2 A 68 HIS HD2 1.0 2.89 5.57 1765 1589 A 68 HIS HB3 A 68 HIS HD2 1.0 3.51 5.57 1766 1590 A 68 HIS H A 68 HIS HD2 1.0 2.90 5.60 1767 1591 A 31 VAL HA A 68 HIS H 1.0 3.42 5.34 1768 1592 A 68 HIS H A 31 VAL HB 1.0 3.15 4.69 1769 1593 A 68 HIS H A 31 VAL HGy% 1.0 2.97 4.27 1770 1593 A 31 VAL HGx% A 68 HIS H 1.0 2.97 4.27 1771 1594 A 68 HIS H A 33 VAL HA 1.0 2.87 4.07 1772 1595 A 68 HIS H A 33 VAL HGx% 1.0 0.00 6.00 1773 1596 A 68 HIS H A 33 VAL HGy% 1.0 0.00 6.00 1774 1597 A 68 HIS H A 33 VAL H 1.0 2.34 5.08 1775 1598 A 6 VAL HGx% A 68 HIS H 1.0 2.43 3.23 1776 1599 A 68 HIS H A 66 GLY HA2 1.0 2.50 6.00 1777 1600 A 68 HIS H A 67 LEU HA 1.0 2.07 2.63 1778 1601 A 67 LEU HB3 A 68 HIS H 1.0 2.73 3.79 1779 1602 A 68 HIS H A 67 LEU HDx% 1.0 0.00 6.00 1780 1603 A 68 HIS H A 67 LEU HDy% 1.0 2.07 3.79 1781 1604 A 68 HIS H A 67 LEU H 1.0 2.38 5.40 1782 1605 A 68 HIS HA A 68 HIS H 1.0 2.64 3.62 1783 1606 A 68 HIS H A 68 HIS HB2 1.0 1.98 3.48 1784 1607 A 69 THR HB A 69 THR HA 1.0 1.90 3.20 1785 1608 A 69 THR HG21 A 30 SER HB2 1.0 2.48 4.10 1786 1609 A 31 VAL HA A 69 THR HG21 1.0 3.45 5.41 1787 1610 A 6 VAL HA A 69 THR HG21 1.0 1.94 3.30 1788 1611 A 6 VAL HB A 69 THR HG21 1.0 2.07 2.61 1789 1612 A 69 THR HG21 A 6 VAL HGy% 1.0 1.72 2.68 1790 1613 A 69 THR HA A 69 THR HG21 1.0 1.99 2.89 1791 1614 A 69 THR HB A 69 THR HG21 1.0 1.93 2.75 1792 1615 A 69 THR HG21 A 69 THR H 1.0 2.86 4.04 1793 1616 A 7 ALA HB1 A 69 THR HG21 1.0 1.99 6.00 1794 1617 A 69 THR HG21 A 70 CYS HB2 1.0 1.94 6.00 1795 1618 A 69 THR HG21 A 72 PRO HDy 1.0 0.00 6.00 1796 1618 A 69 THR HG21 A 72 PRO HDx 1.0 0.00 6.00 1797 1619 A 31 VAL HA A 69 THR H 1.0 2.50 6.00 1798 1620 A 69 THR H A 32 THR H 1.0 0.00 6.00 1799 1621 A 6 VAL HA A 69 THR H 1.0 0.00 6.00 1800 1622 A 6 VAL HB A 69 THR H 1.0 0.00 6.00 1801 1623 A 69 THR H A 6 VAL HGy% 1.0 0.00 6.00 1802 1623 A 6 VAL HGx% A 69 THR H 1.0 0.00 6.00 1803 1624 A 68 HIS HA A 69 THR H 1.0 0.00 6.00 1804 1625 A 69 THR H A 68 HIS HB2 1.0 2.34 5.10 1805 1626 A 68 HIS HB3 A 69 THR H 1.0 1.98 3.46 1806 1627 A 68 HIS H A 69 THR H 1.0 2.84 5.36 1807 1628 A 69 THR HA A 69 THR H 1.0 1.89 3.15 1808 1629 A 69 THR HB A 69 THR H 1.0 2.15 4.11 1809 1630 A 69 THR H A 70 CYS H 1.0 2.43 5.85 1810 1631 A 70 CYS HA A 32 THR HG21 1.0 2.22 4.46 1811 1632 A 69 THR HB A 70 CYS HA 1.0 2.30 4.88 1812 1633 A 70 CYS HB3 A 70 CYS HA 1.0 1.93 3.29 1813 1634 A 70 CYS HA A 72 PRO HDy 1.0 2.47 6.00 1814 1634 A 70 CYS HA A 72 PRO HDx 1.0 2.47 6.00 1815 1635 A 70 CYS HB2 A 32 THR HB 1.0 1.94 4.58 1816 1636 A 69 THR HB A 70 CYS HB2 1.0 0.00 6.00 1817 1637 A 70 CYS HB2 A 70 CYS HA 1.0 2.34 3.08 1818 1638 A 70 CYS HB2 A 70 CYS HB3 1.0 1.59 2.20 1819 1639 A 70 CYS HB3 A 72 PRO HDy 1.0 0.00 6.00 1820 1639 A 70 CYS HB3 A 72 PRO HDx 1.0 0.00 6.00 1821 1640 A 30 SER HA A 70 CYS H 1.0 2.45 6.00 1822 1641 A 30 SER HB2 A 70 CYS H 1.0 2.87 4.07 1823 1642 A 30 SER HB3 A 70 CYS H 1.0 3.11 4.59 1824 1643 A 30 SER H A 70 CYS H 1.0 2.48 6.00 1825 1644 A 31 VAL HA A 70 CYS H 1.0 1.80 2.92 1826 1645 A 31 VAL HB A 70 CYS H 1.0 3.67 6.00 1827 1646 A 31 VAL HGx% A 70 CYS H 1.0 2.89 4.11 1828 1647 A 31 VAL H A 70 CYS H 1.0 2.45 6.00 1829 1648 A 32 THR HA A 70 CYS H 1.0 2.44 5.98 1830 1649 A 32 THR HB A 70 CYS H 1.0 2.50 6.00 1831 1650 A 32 THR H A 70 CYS H 1.0 2.36 5.32 1832 1651 A 68 HIS HB3 A 70 CYS H 1.0 2.50 6.00 1833 1652 A 69 THR HB A 70 CYS H 1.0 2.28 3.54 1834 1653 A 69 THR HG21 A 70 CYS H 1.0 2.82 3.96 1835 1654 A 70 CYS HA A 70 CYS H 1.0 0.00 6.00 1836 1655 A 70 CYS HB2 A 70 CYS H 1.0 2.05 3.71 1837 1656 A 70 CYS HB3 A 70 CYS H 1.0 1.91 3.25 1838 1657 A 30 SER HB2 A 71 ASP HA 1.0 1.77 3.49 1839 1658 A 71 ASP HA A 70 CYS HA 1.0 2.24 4.52 1840 1659 A 71 ASP HA A 72 PRO HA 1.0 2.46 6.00 1841 1660 A 71 ASP HA A 72 PRO HB2 1.0 2.50 6.00 1842 1661 A 71 ASP HA A 72 PRO HB3 1.0 2.48 6.00 1843 1662 A 71 ASP HA A 72 PRO HDy 1.0 1.52 2.22 1844 1662 A 71 ASP HA A 72 PRO HDx 1.0 1.52 2.22 1845 1663 A 70 CYS HA A 71 ASP HB2 1.0 0.00 6.00 1846 1664 A 71 ASP HA A 71 ASP HB2 1.0 2.22 3.40 1847 1665 A 71 ASP HB2 A 72 PRO HDy 1.0 2.42 3.22 1848 1665 A 72 PRO HDx A 71 ASP HB2 1.0 2.42 3.22 1849 1666 A 71 ASP HB2 A 73 ALA HB1 1.0 3.14 4.68 1850 1667 A 70 CYS HA A 71 ASP HB3 1.0 2.29 4.79 1851 1668 A 71 ASP HA A 71 ASP HB3 1.0 2.43 3.23 1852 1669 A 71 ASP HB2 A 71 ASP HB3 1.0 1.68 2.20 1853 1670 A 71 ASP HB3 A 72 PRO HDy 1.0 3.28 5.00 1854 1670 A 72 PRO HDx A 71 ASP HB3 1.0 3.28 5.00 1855 1671 A 30 SER HB3 A 71 ASP H 1.0 2.49 6.00 1856 1672 A 43 CYS HA A 71 ASP H 1.0 2.50 6.00 1857 1673 A 70 CYS HA A 71 ASP H 1.0 2.51 3.37 1858 1674 A 70 CYS HB2 A 71 ASP H 1.0 2.79 3.91 1859 1675 A 70 CYS HB3 A 71 ASP H 1.0 2.74 3.82 1860 1676 A 71 ASP HA A 71 ASP H 1.0 2.76 5.04 1861 1677 A 71 ASP HB2 A 71 ASP H 1.0 3.02 4.40 1862 1678 A 71 ASP HB3 A 71 ASP H 1.0 2.82 3.98 1863 1679 A 30 SER HB3 A 72 PRO HA 1.0 2.00 5.50 1864 1680 A 72 PRO HA A 72 PRO HDy 1.0 1.84 3.86 1865 1680 A 72 PRO HA A 72 PRO HDx 1.0 1.84 3.86 1866 1681 A 72 PRO HB2 A 71 ASP HB2 1.0 2.61 4.51 1867 1682 A 72 PRO HA A 72 PRO HB2 1.0 2.56 3.48 1868 1683 A 72 PRO HB2 A 72 PRO HB3 1.0 1.47 2.20 1869 1684 A 72 PRO HB2 A 72 PRO HDy 1.0 2.68 4.72 1870 1684 A 72 PRO HDx A 72 PRO HB2 1.0 2.68 4.72 1871 1685 A 72 PRO HB2 A 72 PRO HG3 1.0 2.36 3.76 1872 1686 A 72 PRO HB3 A 71 ASP HB2 1.0 3.07 6.00 1873 1687 A 72 PRO HA A 72 PRO HB3 1.0 2.26 2.94 1874 1688 A 72 PRO HB3 A 72 PRO HDy 1.0 2.32 3.68 1875 1688 A 72 PRO HDx A 72 PRO HB3 1.0 2.32 3.68 1876 1689 A 72 PRO HB3 A 72 PRO HG3 1.0 1.53 2.25 1877 1690 A 72 PRO HB3 A 73 ALA HB1 1.0 2.75 5.03 1878 1691 A 71 ASP H A 72 PRO HDy 1.0 2.97 5.99 1879 1691 A 72 PRO HDx A 71 ASP H 1.0 2.97 5.99 1880 1692 A 30 SER HB3 A 72 PRO HDy 1.0 0.00 6.00 1881 1693 A 71 ASP HA A 72 PRO HG2 1.0 3.79 6.00 1882 1694 A 71 ASP HB2 A 72 PRO HG2 1.0 2.33 3.05 1883 1695 A 72 PRO HA A 72 PRO HG2 1.0 2.57 4.37 1884 1696 A 72 PRO HB2 A 72 PRO HG2 1.0 1.61 2.43 1885 1697 A 72 PRO HG2 A 72 PRO HDy 1.0 2.28 2.98 1886 1697 A 72 PRO HDx A 72 PRO HG2 1.0 2.28 2.98 1887 1698 A 72 PRO HG3 A 72 PRO HG2 1.0 1.43 2.20 1888 1699 A 71 ASP HA A 72 PRO HG3 1.0 3.76 6.00 1889 1700 A 71 ASP HB2 A 72 PRO HG3 1.0 3.12 6.00 1890 1701 A 72 PRO HA A 72 PRO HG3 1.0 2.87 4.07 1891 1702 A 72 PRO HG3 A 72 PRO HDy 1.0 2.31 3.01 1892 1702 A 72 PRO HDx A 72 PRO HG3 1.0 2.31 3.01 1893 1703 A 73 ALA HB1 A 72 PRO HDy 1.0 0.00 6.00 1894 1703 A 72 PRO HDx A 73 ALA HB1 1.0 0.00 6.00 1895 1704 A 73 ALA HB1 A 73 ALA HA 1.0 1.80 2.50 1896 1705 A 71 ASP HA A 73 ALA H 1.0 2.35 5.19 1897 1706 A 71 ASP HB2 A 73 ALA H 1.0 0.00 6.00 1898 1707 A 72 PRO HA A 73 ALA H 1.0 2.24 2.90 1899 1708 A 72 PRO HB2 A 73 ALA H 1.0 2.94 5.82 1900 1709 A 72 PRO HB3 A 73 ALA H 1.0 3.21 4.81 1901 1710 A 73 ALA H A 72 PRO HDy 1.0 2.54 4.26 1902 1711 A 72 PRO HG3 A 73 ALA H 1.0 0.00 6.00 1903 1712 A 73 ALA HA A 73 ALA H 1.0 2.26 2.94 1904 1713 A 73 ALA HB1 A 73 ALA H 1.0 2.24 2.90 1905 1714 A 73 ALA H A 74 THR H 1.0 2.65 3.63 1906 1715 A 73 ALA HA A 74 THR H 1.0 2.29 3.59 1907 1716 A 73 ALA HB1 A 74 THR H 1.0 3.24 4.88 1908 1717 A 74 THR H A 75 PRO HD2 1.0 2.50 6.00 1909 1718 A 75 PRO HA A 75 PRO HGx 1.0 2.40 5.58 1910 1718 A 75 PRO HGy A 75 PRO HA 1.0 2.40 5.58 1911 1719 A 75 PRO HA A 75 PRO HB2 1.0 2.35 3.09 1912 1720 A 75 PRO HB2 A 75 PRO HB3 1.0 1.53 2.25 1913 1721 A 75 PRO HD2 A 75 PRO HB2 1.0 2.33 5.03 1914 1722 A 75 PRO HB2 A 75 PRO HGx 1.0 1.66 2.54 1915 1722 A 75 PRO HGy A 75 PRO HB2 1.0 1.66 2.54 1916 1723 A 75 PRO HA A 75 PRO HB3 1.0 1.99 3.47 1917 1724 A 75 PRO HB3 A 75 PRO HGx 1.0 1.36 2.20 1918 1724 A 75 PRO HGy A 75 PRO HB3 1.0 1.36 2.20 1919 1725 A 75 PRO HD2 A 75 PRO HA 1.0 2.36 5.26 1920 1726 A 75 PRO HD2 A 75 PRO HB3 1.0 2.15 4.13 1921 1727 A 75 PRO HD2 A 75 PRO HD3 1.0 1.23 2.20 1922 1728 A 75 PRO HA A 75 PRO HD3 1.0 1.80 3.66 1923 1729 A 75 PRO HB2 A 75 PRO HD3 1.0 3.41 5.33 1924 1730 A 75 PRO HB3 A 75 PRO HD3 1.0 1.92 3.28 1925 1731 A 75 PRO HD2 A 75 PRO HGx 1.0 1.71 2.67 1926 1731 A 75 PRO HGy A 75 PRO HD2 1.0 1.71 2.67 1927 1732 A 75 PRO HD3 A 75 PRO HGx 1.0 2.04 2.98 1928 1732 A 75 PRO HGy A 75 PRO HD3 1.0 2.04 2.98 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 24 GLY H A 9 CYS O 1.0 1.7 2.5 2 2 A 9 CYS O A 24 GLY N 1.0 2.7 3.5 3 3 A 11 GLU H A 22 HIS O 1.0 1.7 2.5 4 4 A 22 HIS O A 11 GLU N 1.0 2.7 3.5 5 5 A 22 HIS H A 11 GLU O 1.0 1.7 2.5 6 6 A 11 GLU O A 22 HIS N 1.0 2.7 3.5 7 7 A 13 PHE H A 20 ASP O 1.0 1.7 2.5 8 8 A 20 ASP O A 13 PHE N 1.0 2.7 3.5 9 9 A 20 ASP H A 13 PHE O 1.0 1.7 2.5 10 10 A 13 PHE O A 20 ASP N 1.0 2.7 3.5 11 11 A 15 SER H A 18 TYR O 1.0 1.7 2.5 12 12 A 18 TYR O A 15 SER N 1.0 2.7 3.5 13 13 A 19 THR H A 54 PHE O 1.0 1.7 2.5 14 14 A 54 PHE O A 19 THR N 1.0 2.7 3.5 15 15 A 54 PHE H A 19 THR O 1.0 1.7 2.5 16 16 A 19 THR O A 54 PHE N 1.0 2.7 3.5 17 17 A 21 VAL H A 52 ALA O 1.0 1.7 2.5 18 18 A 52 ALA O A 21 VAL N 1.0 2.7 3.5 19 19 A 52 ALA H A 21 VAL O 1.0 1.7 2.5 20 20 A 21 VAL O A 52 ALA N 1.0 2.7 3.5 21 21 A 23 ASN H A 50 GLY O 1.0 1.7 2.5 22 22 A 50 GLY O A 23 ASN N 1.0 2.7 3.5 23 23 A 29 VAL H A 46 ILE O 1.0 1.7 2.5 24 24 A 46 ILE O A 29 VAL N 1.0 2.7 3.5 25 25 A 46 ILE H A 29 VAL O 1.0 1.7 2.5 26 26 A 29 VAL O A 46 ILE N 1.0 2.7 3.5 27 27 A 31 VAL H A 44 ARG O 1.0 1.7 2.5 28 28 A 44 ARG O A 31 VAL N 1.0 2.7 3.5 29 29 A 44 ARG H A 31 VAL O 1.0 1.7 2.5 30 30 A 31 VAL O A 44 ARG N 1.0 2.7 3.5 31 31 A 32 THR H A 68 HIS O 1.0 1.7 2.5 32 32 A 68 HIS O A 32 THR N 1.0 2.7 3.5 33 33 A 68 HIS H A 32 THR O 1.0 1.7 2.5 34 34 A 32 THR O A 68 HIS N 1.0 2.7 3.5 35 35 A 34 GLU H A 66 GLY O 1.0 1.7 2.5 36 36 A 66 GLY O A 34 GLU N 1.0 2.7 3.5 37 37 A 66 GLY H A 34 GLU O 1.0 1.7 2.5 38 38 A 34 GLU O A 66 GLY N 1.0 2.7 3.5 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 9 CYS C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -175.0 -35.0 PHI 2 2 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 GLU N 1.0 85.0 185.0 PSI 3 3 A 10 VAL C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -175.0 -35.0 PHI 4 4 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 TYR N 1.0 85.0 185.0 PSI 5 5 A 11 GLU C A 12 TYR N A 12 TYR CA A 12 TYR C 1.0 -175.0 -35.0 PHI 6 6 A 12 TYR N A 12 TYR CA A 12 TYR C A 13 PHE N 1.0 85.0 185.0 PSI 7 7 A 12 TYR C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -175.0 -35.0 PHI 8 8 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 GLN N 1.0 85.0 185.0 PSI 9 9 A 13 PHE C A 14 GLN N A 14 GLN CA A 14 GLN C 1.0 -175.0 -35.0 PHI 10 10 A 14 GLN N A 14 GLN CA A 14 GLN C A 15 SER N 1.0 85.0 185.0 PSI 11 11 A 17 ARG C A 18 TYR N A 18 TYR CA A 18 TYR C 1.0 -175.0 -35.0 PHI 12 12 A 18 TYR N A 18 TYR CA A 18 TYR C A 19 THR N 1.0 85.0 185.0 PSI 13 13 A 18 TYR C A 19 THR N A 19 THR CA A 19 THR C 1.0 -175.0 -35.0 PHI 14 14 A 19 THR N A 19 THR CA A 19 THR C A 20 ASP N 1.0 85.0 185.0 PSI 15 15 A 19 THR C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -175.0 -35.0 PHI 16 16 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 VAL N 1.0 85.0 185.0 PSI 17 17 A 20 ASP C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -175.0 -35.0 PHI 18 18 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 HIS N 1.0 85.0 185.0 PSI 19 19 A 21 VAL C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -175.0 -35.0 PHI 20 20 A 22 HIS N A 22 HIS CA A 22 HIS C A 23 ASN N 1.0 85.0 185.0 PSI 21 21 A 22 HIS C A 23 ASN N A 23 ASN CA A 23 ASN C 1.0 -175.0 -35.0 PHI 22 22 A 23 ASN N A 23 ASN CA A 23 ASN C A 24 GLY N 1.0 85.0 185.0 PSI 23 23 A 28 ALA C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -175.0 -35.0 PHI 24 24 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 SER N 1.0 85.0 185.0 PSI 25 25 A 29 VAL C A 30 SER N A 30 SER CA A 30 SER C 1.0 -175.0 -35.0 PHI 26 26 A 30 SER N A 30 SER CA A 30 SER C A 31 VAL N 1.0 85.0 185.0 PSI 27 27 A 30 SER C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -175.0 -35.0 PHI 28 28 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 THR N 1.0 85.0 185.0 PSI 29 29 A 31 VAL C A 32 THR N A 32 THR CA A 32 THR C 1.0 -175.0 -35.0 PHI 30 30 A 32 THR N A 32 THR CA A 32 THR C A 33 VAL N 1.0 85.0 185.0 PSI 31 31 A 32 THR C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -175.0 -35.0 PHI 32 32 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 GLU N 1.0 85.0 185.0 PSI 33 33 A 33 VAL C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -175.0 -35.0 PHI 34 34 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 TYR N 1.0 85.0 185.0 PSI 35 35 A 34 GLU C A 35 TYR N A 35 TYR CA A 35 TYR C 1.0 -175.0 -35.0 PHI 36 36 A 35 TYR N A 35 TYR CA A 35 TYR C A 36 THR N 1.0 85.0 185.0 PSI 37 37 A 43 CYS C A 44 ARG N A 44 ARG CA A 44 ARG C 1.0 -175.0 -35.0 PHI 38 38 A 44 ARG N A 44 ARG CA A 44 ARG C A 45 VAL N 1.0 85.0 185.0 PSI 39 39 A 44 ARG C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -175.0 -35.0 PHI 40 40 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 ILE N 1.0 85.0 185.0 PSI 41 41 A 45 VAL C A 46 ILE N A 46 ILE CA A 46 ILE C 1.0 -175.0 -35.0 PHI 42 42 A 46 ILE N A 46 ILE CA A 46 ILE C A 47 GLU N 1.0 85.0 185.0 PSI 43 43 A 46 ILE C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -175.0 -35.0 PHI 44 44 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 PRO N 1.0 85.0 185.0 PSI 45 45 A 50 GLY C A 51 TRP N A 51 TRP CA A 51 TRP C 1.0 -175.0 -35.0 PHI 46 46 A 51 TRP N A 51 TRP CA A 51 TRP C A 52 ALA N 1.0 85.0 185.0 PSI 47 47 A 51 TRP C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -175.0 -35.0 PHI 48 48 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 THR N 1.0 85.0 185.0 PSI 49 49 A 52 ALA C A 53 THR N A 53 THR CA A 53 THR C 1.0 -175.0 -35.0 PHI 50 50 A 53 THR N A 53 THR CA A 53 THR C A 54 PHE N 1.0 85.0 185.0 PSI 51 51 A 53 THR C A 54 PHE N A 54 PHE CA A 54 PHE C 1.0 -175.0 -35.0 PHI 52 52 A 54 PHE N A 54 PHE CA A 54 PHE C A 55 ALA N 1.0 85.0 185.0 PSI 53 53 A 54 PHE C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -175.0 -35.0 PHI 54 54 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 GLY N 1.0 85.0 185.0 PSI 55 55 A 66 GLY C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -175.0 -35.0 PHI 56 56 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 HIS N 1.0 85.0 185.0 PSI 57 57 A 67 LEU C A 68 HIS N A 68 HIS CA A 68 HIS C 1.0 -175.0 -35.0 PHI 58 58 A 68 HIS N A 68 HIS CA A 68 HIS C A 69 THR N 1.0 85.0 185.0 PSI 59 59 A 68 HIS C A 69 THR N A 69 THR CA A 69 THR C 1.0 -175.0 -35.0 PHI 60 60 A 69 THR N A 69 THR CA A 69 THR C A 70 CYS N 1.0 85.0 185.0 PSI 61 61 A 69 THR C A 70 CYS N A 70 CYS CA A 70 CYS C 1.0 -175.0 -35.0 PHI 62 62 A 70 CYS N A 70 CYS CA A 70 CYS C A 71 ASP N 1.0 85.0 185.0 PSI 63 63 A 70 CYS C A 71 ASP N A 71 ASP CA A 71 ASP C 1.0 -175.0 -35.0 PHI 64 64 A 71 ASP N A 71 ASP CA A 71 ASP C A 72 PRO N 1.0 85.0 185.0 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_6 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_6 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 7 ALA N A 7 ALA H 1.0 . . . 2 2 A 8 GLU N A 8 GLU H 1.0 . . . 3 3 A 9 CYS N A 9 CYS H 1.0 . . . 4 4 A 10 VAL N A 10 VAL H 1.0 . . . 5 5 A 11 GLU N A 11 GLU H 1.0 . . . 6 6 A 12 TYR N A 12 TYR H 1.0 . . . 7 7 A 13 PHE N A 13 PHE H 1.0 . . . 8 8 A 15 SER N A 15 SER H 1.0 . . . 9 9 A 18 TYR N A 18 TYR H 1.0 . . . 10 10 A 19 THR N A 19 THR H 1.0 . . . 11 11 A 20 ASP N A 20 ASP H 1.0 . . . 12 12 A 21 VAL N A 21 VAL H 1.0 . . . 13 13 A 22 HIS N A 22 HIS H 1.0 . . . 14 14 A 23 ASN N A 23 ASN H 1.0 . . . 15 15 A 27 ASP N A 27 ASP H 1.0 . . . 16 16 A 28 ALA N A 28 ALA H 1.0 . . . 17 17 A 29 VAL N A 29 VAL H 1.0 . . . 18 18 A 30 SER N A 30 SER H 1.0 . . . 19 19 A 31 VAL N A 31 VAL H 1.0 . . . 20 20 A 32 THR N A 32 THR H 1.0 . . . 21 21 A 33 VAL N A 33 VAL H 1.0 . . . 22 22 A 34 GLU N A 34 GLU H 1.0 . . . 23 23 A 35 TYR N A 35 TYR H 1.0 . . . 24 24 A 36 THR N A 36 THR H 1.0 . . . 25 25 A 37 HIS N A 37 HIS H 1.0 . . . 26 26 A 38 GLY N A 38 GLY H 1.0 . . . 27 27 A 40 TRP N A 40 TRP H 1.0 . . . 28 28 A 41 ALA N A 41 ALA H 1.0 . . . 29 29 A 43 CYS N A 43 CYS H 1.0 . . . 30 30 A 44 ARG N A 44 ARG H 1.0 . . . 31 31 A 45 VAL N A 45 VAL H 1.0 . . . 32 32 A 46 ILE N A 46 ILE H 1.0 . . . 33 33 A 47 GLU N A 47 GLU H 1.0 . . . 34 34 A 49 GLY N A 49 GLY H 1.0 . . . 35 35 A 50 GLY N A 50 GLY H 1.0 . . . 36 36 A 51 TRP N A 51 TRP H 1.0 . . . 37 37 A 52 ALA N A 52 ALA H 1.0 . . . 38 38 A 54 PHE N A 54 PHE H 1.0 . . . 39 39 A 55 ALA N A 55 ALA H 1.0 . . . 40 40 A 56 GLY N A 56 GLY H 1.0 . . . 41 41 A 57 TYR N A 57 TYR H 1.0 . . . 42 42 A 58 GLY N A 58 GLY H 1.0 . . . 43 43 A 60 ASP N A 60 ASP H 1.0 . . . 44 44 A 61 GLY N A 61 GLY H 1.0 . . . 45 45 A 62 ASN N A 62 ASN H 1.0 . . . 46 46 A 63 TYR N A 63 TYR H 1.0 . . . 47 47 A 64 VAL N A 64 VAL H 1.0 . . . 48 48 A 65 THR N A 65 THR H 1.0 . . . 49 49 A 66 GLY N A 66 GLY H 1.0 . . . 50 50 A 67 LEU N A 67 LEU H 1.0 . . . 51 51 A 68 HIS N A 68 HIS H 1.0 . . . 52 52 A 69 THR N A 69 THR H 1.0 . . . 53 53 A 70 CYS N A 70 CYS H 1.0 . . . 54 54 A 71 ASP N A 71 ASP H 1.0 . . . stop_ save_