data_nef_c19023_2m4v save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 SER start . . 2 A 2 MET middle . true 3 A 3 ALA middle . true 4 A 4 ASP middle . true 5 A 5 ARG middle . true 6 A 6 VAL middle . . 7 A 7 LEU middle . . 8 A 8 ARG middle . true 9 A 9 GLY middle . true 10 A 10 SER middle . true 11 A 11 ARG middle . true 12 A 12 LEU middle . true 13 A 13 GLY middle . true 14 A 14 ALA middle . true 15 A 15 VAL middle . . 16 A 16 SER middle . true 17 A 17 TYR middle . true 18 A 18 GLU middle . true 19 A 19 THR middle . . 20 A 20 ASP middle . true 21 A 21 ARG middle . true 22 A 22 ASN middle . true 23 A 23 HIS middle . true 24 A 24 ASP middle . true 25 A 25 LEU middle . . 26 A 26 ALA middle . . 27 A 27 PRO middle . false 28 A 28 ARG middle . . 29 A 29 GLN middle . . 30 A 30 ILE middle . . 31 A 31 ALA middle . . 32 A 32 ARG middle . . 33 A 33 TYR middle . . 34 A 34 ARG middle . . 35 A 35 THR middle . . 36 A 36 ASP middle . . 37 A 37 ASN middle . . 38 A 38 GLY middle . false 39 A 39 GLU middle . . 40 A 40 GLU middle . . 41 A 41 PHE middle . . 42 A 42 GLU middle . . 43 A 43 VAL middle . . 44 A 44 PRO middle . false 45 A 45 PHE middle . . 46 A 46 ALA middle . . 47 A 47 ASP middle . . 48 A 48 ASP middle . . 49 A 49 ALA middle . . 50 A 50 GLU middle . . 51 A 51 ILE middle . . 52 A 52 PRO middle . false 53 A 53 GLY middle . false 54 A 54 THR middle . . 55 A 55 TRP middle . . 56 A 56 LEU middle . . 57 A 57 CYS middle . . 58 A 58 ARG middle . . 59 A 59 ASN middle . . 60 A 60 GLY middle . false 61 A 61 MET middle . . 62 A 62 GLU middle . . 63 A 63 GLY middle . false 64 A 64 THR middle . . 65 A 65 LEU middle . . 66 A 66 ILE middle . . 67 A 67 GLU middle . . 68 A 68 GLY middle . true 69 A 69 ASP middle . . 70 A 70 LEU middle . true 71 A 71 PRO middle . true 72 A 72 GLU middle . true 73 A 73 PRO middle . false 74 A 74 LYS middle . . 75 A 75 LYS middle . . 76 A 76 VAL middle . . 77 A 77 LYS middle . true 78 A 78 PRO middle . true 79 A 79 PRO middle . true 80 A 80 ARG end . true 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 2 MET C C 13 176.340 0.400 A 2 MET CA C 13 56.327 0.400 A 3 ALA H H 1 8.326 0.020 A 3 ALA HA H 1 4.281 0.020 A 3 ALA HB% H 1 1.400 0.020 A 3 ALA CA C 13 53.025 0.400 A 3 ALA CB C 13 19.086 0.400 A 3 ALA N N 15 124.076 0.400 A 4 ASP H H 1 8.049 0.020 A 4 ASP HA H 1 4.549 0.020 A 4 ASP HBx H 1 2.696 0.020 A 4 ASP HBy H 1 2.696 0.020 A 4 ASP C C 13 176.499 0.400 A 4 ASP CA C 13 54.797 0.400 A 4 ASP CB C 13 41.188 0.400 A 4 ASP N N 15 118.673 0.400 A 5 ARG H H 1 8.058 0.020 A 5 ARG HA H 1 4.308 0.020 A 5 ARG HBy H 1 1.857 0.020 A 5 ARG HBx H 1 1.662 0.020 A 5 ARG HDx H 1 3.223 0.020 A 5 ARG HDy H 1 3.223 0.020 A 5 ARG C C 13 176.469 0.400 A 5 ARG CA C 13 56.584 0.400 A 5 ARG CB C 13 30.752 0.400 A 5 ARG N N 15 120.383 0.400 A 6 VAL H H 1 8.020 0.020 A 6 VAL HA H 1 4.059 0.020 A 6 VAL HB H 1 2.084 0.020 A 6 VAL HGx% H 1 0.953 0.020 A 6 VAL HGy% H 1 0.925 0.020 A 6 VAL C C 13 176.285 0.400 A 6 VAL CA C 13 62.747 0.400 A 6 VAL CB C 13 32.600 0.400 A 6 VAL CG1 C 13 21.103 0.400 A 6 VAL CG2 C 13 21.081 0.400 A 6 VAL N N 15 120.669 0.400 A 7 LEU H H 1 8.235 0.020 A 7 LEU HA H 1 4.362 0.020 A 7 LEU HBy H 1 1.626 0.020 A 7 LEU HBx H 1 1.579 0.020 A 7 LEU HDx% H 1 0.931 0.020 A 7 LEU HDy% H 1 0.873 0.020 A 7 LEU HG H 1 1.671 0.020 A 7 LEU C C 13 177.360 0.400 A 7 LEU CA C 13 55.196 0.400 A 7 LEU CB C 13 42.304 0.400 A 7 LEU N N 15 125.547 0.400 A 8 ARG H H 1 8.280 0.020 A 8 ARG HA H 1 4.345 0.020 A 8 ARG HBx H 1 1.813 0.020 A 8 ARG HBy H 1 1.813 0.020 A 8 ARG HDx H 1 3.207 0.020 A 8 ARG HDy H 1 3.207 0.020 A 8 ARG HGx H 1 1.655 0.020 A 8 ARG HGy H 1 1.655 0.020 A 8 ARG C C 13 177.802 0.400 A 8 ARG CA C 13 56.374 0.400 A 8 ARG CB C 13 30.841 0.400 A 8 ARG N N 15 121.734 0.400 A 9 GLY H H 1 8.354 0.020 A 9 GLY C C 13 174.225 0.400 A 9 GLY CA C 13 45.347 0.400 A 9 GLY N N 15 109.647 0.400 A 10 SER H H 1 8.185 0.020 A 10 SER HA H 1 4.475 0.020 A 10 SER HBx H 1 3.891 0.020 A 10 SER HBy H 1 3.891 0.020 A 10 SER C C 13 174.691 0.400 A 10 SER CA C 13 58.446 0.400 A 10 SER CB C 13 64.049 0.400 A 10 SER N N 15 115.620 0.400 A 11 ARG H H 1 8.386 0.020 A 11 ARG HA H 1 4.383 0.020 A 11 ARG HBy H 1 1.904 0.020 A 11 ARG HBx H 1 1.816 0.020 A 11 ARG C C 13 176.278 0.400 A 11 ARG CA C 13 56.181 0.400 A 11 ARG CB C 13 30.590 0.400 A 11 ARG N N 15 122.715 0.400 A 12 LEU H H 1 8.217 0.020 A 12 LEU HA H 1 4.371 0.020 A 12 LEU HBx H 1 1.646 0.020 A 12 LEU HBy H 1 1.646 0.020 A 12 LEU HDy% H 1 0.909 0.020 A 12 LEU C C 13 176.823 0.400 A 12 LEU CA C 13 55.429 0.400 A 12 LEU CB C 13 42.347 0.400 A 12 LEU N N 15 122.775 0.400 A 13 GLY H H 1 8.338 0.020 A 13 GLY HAx H 1 3.961 0.020 A 13 GLY HAy H 1 3.961 0.020 A 13 GLY C C 13 173.740 0.400 A 13 GLY CA C 13 45.250 0.400 A 13 GLY N N 15 109.772 0.400 A 14 ALA H H 1 8.047 0.020 A 14 ALA HA H 1 4.376 0.020 A 14 ALA HB% H 1 1.382 0.020 A 14 ALA C C 13 177.684 0.400 A 14 ALA CA C 13 52.454 0.400 A 14 ALA CB C 13 19.439 0.400 A 14 ALA N N 15 123.692 0.400 A 15 VAL H H 1 8.042 0.020 A 15 VAL HA H 1 4.138 0.020 A 15 VAL HB H 1 2.021 0.020 A 15 VAL HGx% H 1 0.889 0.020 A 15 VAL HGy% H 1 0.835 0.020 A 15 VAL C C 13 175.925 0.400 A 15 VAL CA C 13 62.021 0.400 A 15 VAL CB C 13 33.019 0.400 A 15 VAL CG1 C 13 20.632 0.400 A 15 VAL CG2 C 13 21.050 0.400 A 15 VAL N N 15 118.835 0.400 A 16 SER H H 1 8.219 0.020 A 16 SER HA H 1 4.475 0.020 A 16 SER HBx H 1 3.807 0.020 A 16 SER HBy H 1 3.807 0.020 A 16 SER C C 13 174.069 0.400 A 16 SER CA C 13 57.828 0.400 A 16 SER CB C 13 64.013 0.400 A 16 SER N N 15 118.794 0.400 A 17 TYR H H 1 8.199 0.020 A 17 TYR HA H 1 4.652 0.020 A 17 TYR HBy H 1 3.115 0.020 A 17 TYR HBx H 1 2.939 0.020 A 17 TYR HD1 H 1 7.126 0.020 A 17 TYR HD2 H 1 7.126 0.020 A 17 TYR HE1 H 1 6.821 0.020 A 17 TYR HE2 H 1 6.821 0.020 A 17 TYR N N 15 122.260 0.400 A 18 GLU H H 1 8.383 0.020 A 18 GLU HA H 1 4.327 0.020 A 18 GLU HBy H 1 2.075 0.020 A 18 GLU HBx H 1 1.953 0.020 A 18 GLU HGx H 1 2.258 0.020 A 18 GLU HGy H 1 2.258 0.020 A 18 GLU C C 13 176.661 0.400 A 18 GLU CA C 13 56.717 0.400 A 18 GLU CB C 13 30.423 0.400 A 18 GLU CG C 13 36.548 0.400 A 18 GLU N N 15 121.782 0.400 A 19 THR H H 1 8.079 0.020 A 19 THR HA H 1 4.325 0.020 A 19 THR HB H 1 4.257 0.020 A 19 THR HG2% H 1 1.217 0.020 A 19 THR C C 13 174.397 0.400 A 19 THR CA C 13 62.085 0.400 A 19 THR CB C 13 69.671 0.400 A 19 THR CG2 C 13 21.559 0.400 A 19 THR N N 15 114.132 0.400 A 20 ASP H H 1 8.321 0.020 A 20 ASP HA H 1 4.628 0.020 A 20 ASP HBx H 1 2.720 0.020 A 20 ASP HBy H 1 2.720 0.020 A 20 ASP C C 13 176.376 0.400 A 20 ASP CA C 13 54.433 0.400 A 20 ASP CB C 13 41.196 0.400 A 20 ASP N N 15 122.401 0.400 A 21 ARG H H 1 8.189 0.020 A 21 ARG HA H 1 4.299 0.020 A 21 ARG HBy H 1 1.860 0.020 A 21 ARG HBx H 1 1.744 0.020 A 21 ARG HDx H 1 3.193 0.020 A 21 ARG HDy H 1 3.193 0.020 A 21 ARG HGx H 1 1.603 0.020 A 21 ARG HGy H 1 1.603 0.020 A 21 ARG C C 13 176.202 0.400 A 21 ARG CA C 13 56.330 0.400 A 21 ARG CB C 13 30.620 0.400 A 21 ARG CG C 13 26.923 0.400 A 21 ARG N N 15 121.010 0.400 A 22 ASN H H 1 8.373 0.020 A 22 ASN HA H 1 4.665 0.020 A 22 ASN HBy H 1 2.788 0.020 A 22 ASN HBx H 1 2.752 0.020 A 22 ASN HD2y H 1 7.644 0.020 A 22 ASN HD2x H 1 6.904 0.020 A 22 ASN CA C 13 53.427 0.400 A 22 ASN CB C 13 38.740 0.400 A 22 ASN N N 15 118.684 0.400 A 22 ASN ND2 N 15 112.982 0.400 A 24 ASP H H 1 8.309 0.020 A 24 ASP HA H 1 4.579 0.020 A 24 ASP HBy H 1 2.709 0.020 A 24 ASP HBx H 1 2.612 0.020 A 24 ASP C C 13 176.115 0.400 A 24 ASP CA C 13 54.648 0.400 A 24 ASP CB C 13 41.104 0.400 A 24 ASP N N 15 120.787 0.400 A 25 LEU H H 1 8.070 0.020 A 25 LEU HA H 1 4.347 0.020 A 25 LEU HBx H 1 1.627 0.020 A 25 LEU HBy H 1 1.627 0.020 A 25 LEU HDx% H 1 0.929 0.020 A 25 LEU HDy% H 1 0.870 0.020 A 25 LEU HG H 1 1.633 0.020 A 25 LEU C C 13 176.751 0.400 A 25 LEU CA C 13 54.849 0.400 A 25 LEU CB C 13 42.389 0.400 A 25 LEU CD2 C 13 23.401 0.400 A 25 LEU CG C 13 27.006 0.400 A 25 LEU N N 15 121.597 0.400 A 26 ALA H H 1 8.084 0.020 A 26 ALA HA H 1 4.580 0.020 A 26 ALA HB% H 1 1.370 0.020 A 26 ALA CA C 13 50.520 0.400 A 26 ALA CB C 13 18.271 0.400 A 26 ALA N N 15 125.667 0.400 A 27 PRO HA H 1 4.445 0.020 A 27 PRO HBy H 1 2.256 0.020 A 27 PRO HBx H 1 1.920 0.020 A 27 PRO HDy H 1 3.833 0.020 A 27 PRO HDx H 1 3.645 0.020 A 27 PRO HGx H 1 2.030 0.020 A 27 PRO HGy H 1 2.030 0.020 A 27 PRO C C 13 176.611 0.400 A 27 PRO CA C 13 63.123 0.400 A 27 PRO CB C 13 32.032 0.400 A 27 PRO CD C 13 50.588 0.400 A 27 PRO CG C 13 27.383 0.400 A 28 ARG H H 1 8.304 0.020 A 28 ARG HA H 1 4.590 0.020 A 28 ARG HBy H 1 1.839 0.020 A 28 ARG HBx H 1 1.757 0.020 A 28 ARG HDx H 1 3.093 0.020 A 28 ARG HDy H 1 3.093 0.020 A 28 ARG HGx H 1 1.664 0.020 A 28 ARG HGy H 1 1.664 0.020 A 28 ARG C C 13 176.078 0.400 A 28 ARG CA C 13 55.478 0.400 A 28 ARG CB C 13 32.064 0.400 A 28 ARG CG C 13 26.888 0.400 A 28 ARG N N 15 120.415 0.400 A 29 GLN H H 1 8.740 0.020 A 29 GLN HA H 1 4.607 0.020 A 29 GLN HBx H 1 2.038 0.020 A 29 GLN HBy H 1 2.038 0.020 A 29 GLN HE2y H 1 7.488 0.020 A 29 GLN HE2x H 1 6.969 0.020 A 29 GLN HGx H 1 2.266 0.020 A 29 GLN HGy H 1 2.266 0.020 A 29 GLN C C 13 174.364 0.400 A 29 GLN CA C 13 54.864 0.400 A 29 GLN CB C 13 31.310 0.400 A 29 GLN CG C 13 34.440 0.400 A 29 GLN N N 15 119.910 0.400 A 29 GLN NE2 N 15 111.883 0.400 A 30 ILE H H 1 8.423 0.020 A 30 ILE HA H 1 4.607 0.020 A 30 ILE HB H 1 1.802 0.020 A 30 ILE HD1% H 1 0.720 0.020 A 30 ILE HG1y H 1 1.405 0.020 A 30 ILE HG1x H 1 1.156 0.020 A 30 ILE HG2% H 1 0.727 0.020 A 30 ILE C C 13 175.085 0.400 A 30 ILE CA C 13 59.582 0.400 A 30 ILE CB C 13 38.900 0.400 A 30 ILE CD1 C 13 11.648 0.400 A 30 ILE CG1 C 13 27.075 0.400 A 30 ILE CG2 C 13 18.088 0.400 A 30 ILE N N 15 122.866 0.400 A 31 ALA H H 1 8.805 0.020 A 31 ALA HA H 1 4.580 0.020 A 31 ALA HB% H 1 1.337 0.020 A 31 ALA C C 13 174.794 0.400 A 31 ALA CA C 13 50.483 0.400 A 31 ALA CB C 13 23.290 0.400 A 31 ALA N N 15 131.578 0.400 A 32 ARG H H 1 8.285 0.020 A 32 ARG HA H 1 5.457 0.020 A 32 ARG HBx H 1 1.593 0.020 A 32 ARG HBy H 1 1.595 0.020 A 32 ARG HDx H 1 3.180 0.020 A 32 ARG HDy H 1 3.180 0.020 A 32 ARG HE H 1 7.522 0.020 A 32 ARG HGy H 1 1.569 0.020 A 32 ARG HGx H 1 1.395 0.020 A 32 ARG C C 13 173.912 0.400 A 32 ARG CA C 13 54.364 0.400 A 32 ARG CB C 13 33.477 0.400 A 32 ARG CD C 13 43.252 0.400 A 32 ARG CG C 13 28.540 0.400 A 32 ARG N N 15 120.518 0.400 A 32 ARG NE N 15 84.599 0.400 A 33 TYR H H 1 8.908 0.020 A 33 TYR HA H 1 5.015 0.020 A 33 TYR HBy H 1 2.608 0.020 A 33 TYR HBx H 1 2.461 0.020 A 33 TYR HD1 H 1 6.650 0.020 A 33 TYR HD2 H 1 6.650 0.020 A 33 TYR HE1 H 1 6.323 0.020 A 33 TYR HE2 H 1 6.323 0.020 A 33 TYR N N 15 120.036 0.400 A 34 ARG H H 1 8.932 0.020 A 34 ARG HA H 1 5.830 0.020 A 34 ARG HBy H 1 1.901 0.020 A 34 ARG HBx H 1 1.753 0.020 A 34 ARG HDx H 1 3.285 0.020 A 34 ARG HDy H 1 3.285 0.020 A 34 ARG HE H 1 7.441 0.020 A 34 ARG HGx H 1 1.635 0.020 A 34 ARG HGy H 1 1.635 0.020 A 34 ARG CA C 13 54.008 0.400 A 34 ARG CB C 13 34.196 0.400 A 34 ARG CD C 13 43.715 0.400 A 34 ARG CG C 13 27.000 0.400 A 34 ARG N N 15 121.138 0.400 A 34 ARG NE N 15 85.155 0.400 A 35 THR H H 1 9.579 0.020 A 35 THR HA H 1 5.060 0.020 A 35 THR HB H 1 4.851 0.020 A 35 THR HG1 H 1 5.107 0.020 A 35 THR HG2% H 1 1.371 0.020 A 35 THR CA C 13 61.364 0.400 A 35 THR CB C 13 70.537 0.400 A 35 THR CG2 C 13 23.111 0.400 A 35 THR N N 15 119.525 0.400 A 36 ASP H H 1 9.591 0.020 A 36 ASP HA H 1 4.492 0.020 A 36 ASP HBx H 1 2.776 0.020 A 36 ASP HBy H 1 2.776 0.020 A 36 ASP C C 13 176.203 0.400 A 36 ASP CA C 13 57.693 0.400 A 36 ASP CB C 13 40.824 0.400 A 36 ASP N N 15 120.847 0.400 A 37 ASN H H 1 7.840 0.020 A 37 ASN HA H 1 4.717 0.020 A 37 ASN HBy H 1 3.288 0.020 A 37 ASN HBx H 1 2.836 0.020 A 37 ASN HD2y H 1 8.083 0.020 A 37 ASN HD2x H 1 7.811 0.020 A 37 ASN C C 13 176.169 0.400 A 37 ASN CA C 13 52.621 0.400 A 37 ASN CB C 13 37.567 0.400 A 37 ASN N N 15 114.763 0.400 A 37 ASN ND2 N 15 115.037 0.400 A 38 GLY H H 1 8.529 0.020 A 38 GLY HAy H 1 4.369 0.020 A 38 GLY HAx H 1 3.582 0.020 A 38 GLY C C 13 174.400 0.400 A 38 GLY CA C 13 45.100 0.400 A 38 GLY N N 15 108.761 0.400 A 39 GLU H H 1 7.169 0.020 A 39 GLU HA H 1 4.123 0.020 A 39 GLU HBy H 1 2.162 0.020 A 39 GLU HBx H 1 1.832 0.020 A 39 GLU HGy H 1 2.211 0.020 A 39 GLU HGx H 1 2.038 0.020 A 39 GLU C C 13 174.240 0.400 A 39 GLU CA C 13 57.736 0.400 A 39 GLU CB C 13 31.146 0.400 A 39 GLU CG C 13 38.275 0.400 A 39 GLU N N 15 120.688 0.400 A 40 GLU H H 1 7.904 0.020 A 40 GLU HA H 1 5.611 0.020 A 40 GLU HBx H 1 1.767 0.020 A 40 GLU HBy H 1 1.767 0.020 A 40 GLU HGy H 1 2.386 0.020 A 40 GLU HGx H 1 2.036 0.020 A 40 GLU C C 13 175.971 0.400 A 40 GLU CA C 13 54.260 0.400 A 40 GLU CB C 13 33.358 0.400 A 40 GLU CG C 13 37.033 0.400 A 40 GLU N N 15 118.428 0.400 A 41 PHE H H 1 9.195 0.020 A 41 PHE HA H 1 4.748 0.020 A 41 PHE HBy H 1 3.273 0.020 A 41 PHE HBx H 1 2.887 0.020 A 41 PHE HD1 H 1 7.335 0.020 A 41 PHE HD2 H 1 7.335 0.020 A 41 PHE HE1 H 1 7.160 0.020 A 41 PHE HE2 H 1 7.160 0.020 A 41 PHE N N 15 119.780 0.400 A 42 GLU H H 1 8.750 0.020 A 42 GLU HA H 1 5.099 0.020 A 42 GLU HBy H 1 2.016 0.020 A 42 GLU HBx H 1 1.843 0.020 A 42 GLU HGy H 1 2.304 0.020 A 42 GLU HGx H 1 2.028 0.020 A 42 GLU C C 13 176.519 0.400 A 42 GLU CA C 13 55.311 0.400 A 42 GLU CB C 13 31.526 0.400 A 42 GLU CG C 13 37.221 0.400 A 42 GLU N N 15 121.875 0.400 A 43 VAL H H 1 9.404 0.020 A 43 VAL HA H 1 4.471 0.020 A 43 VAL HB H 1 1.722 0.020 A 43 VAL HGx% H 1 0.566 0.020 A 43 VAL HGy% H 1 -0.216 0.020 A 43 VAL CA C 13 59.164 0.400 A 43 VAL CB C 13 36.059 0.400 A 43 VAL CG1 C 13 20.880 0.400 A 43 VAL CG2 C 13 20.786 0.400 A 43 VAL N N 15 127.451 0.400 A 44 PRO HA H 1 5.188 0.020 A 44 PRO HBy H 1 1.981 0.020 A 44 PRO HBx H 1 1.726 0.020 A 44 PRO HDx H 1 3.646 0.020 A 44 PRO HDy H 1 3.646 0.020 A 44 PRO HGx H 1 2.048 0.020 A 44 PRO HGy H 1 2.048 0.020 A 44 PRO C C 13 176.234 0.400 A 44 PRO CA C 13 61.310 0.400 A 44 PRO CB C 13 32.386 0.400 A 44 PRO CD C 13 50.927 0.400 A 44 PRO CG C 13 26.759 0.400 A 45 PHE H H 1 8.904 0.020 A 45 PHE HA H 1 4.597 0.020 A 45 PHE HBy H 1 3.070 0.020 A 45 PHE HBx H 1 2.536 0.020 A 45 PHE HD1 H 1 7.088 0.020 A 45 PHE HD2 H 1 7.088 0.020 A 45 PHE HE1 H 1 7.016 0.020 A 45 PHE HE2 H 1 7.016 0.020 A 45 PHE HZ H 1 6.266 0.020 A 45 PHE N N 15 119.984 0.400 A 46 ALA H H 1 8.698 0.020 A 46 ALA HA H 1 4.457 0.020 A 46 ALA HB% H 1 1.579 0.020 A 46 ALA C C 13 178.306 0.400 A 46 ALA CA C 13 52.310 0.400 A 46 ALA CB C 13 19.768 0.400 A 46 ALA N N 15 123.127 0.400 A 47 ASP H H 1 8.581 0.020 A 47 ASP HA H 1 4.317 0.020 A 47 ASP HBy H 1 2.691 0.020 A 47 ASP HBx H 1 2.618 0.020 A 47 ASP C C 13 175.925 0.400 A 47 ASP CA C 13 56.533 0.400 A 47 ASP CB C 13 40.999 0.400 A 47 ASP N N 15 119.553 0.400 A 48 ASP H H 1 8.267 0.020 A 48 ASP HA H 1 4.559 0.020 A 48 ASP HBy H 1 2.888 0.020 A 48 ASP HBx H 1 2.608 0.020 A 48 ASP C C 13 175.786 0.400 A 48 ASP CA C 13 53.108 0.400 A 48 ASP CB C 13 40.032 0.400 A 48 ASP N N 15 115.591 0.400 A 49 ALA H H 1 7.406 0.020 A 49 ALA HA H 1 4.372 0.020 A 49 ALA HB% H 1 1.545 0.020 A 49 ALA C C 13 177.382 0.400 A 49 ALA CA C 13 52.025 0.400 A 49 ALA CB C 13 20.826 0.400 A 49 ALA N N 15 122.557 0.400 A 50 GLU H H 1 8.220 0.020 A 50 GLU HA H 1 4.223 0.020 A 50 GLU HBx H 1 1.886 0.020 A 50 GLU HBy H 1 1.886 0.020 A 50 GLU HGy H 1 2.225 0.020 A 50 GLU HGx H 1 2.098 0.020 A 50 GLU C C 13 175.524 0.400 A 50 GLU CA C 13 55.425 0.400 A 50 GLU CB C 13 30.153 0.400 A 50 GLU CG C 13 36.311 0.400 A 50 GLU N N 15 120.785 0.400 A 51 ILE H H 1 8.182 0.020 A 51 ILE HA H 1 3.512 0.020 A 51 ILE HB H 1 1.534 0.020 A 51 ILE HD1% H 1 0.390 0.020 A 51 ILE HG1y H 1 1.151 0.020 A 51 ILE HG1x H 1 0.481 0.020 A 51 ILE HG2% H 1 0.502 0.020 A 51 ILE CA C 13 57.945 0.400 A 51 ILE CB C 13 37.480 0.400 A 51 ILE CD1 C 13 11.876 0.400 A 51 ILE CG1 C 13 26.744 0.400 A 51 ILE CG2 C 13 17.672 0.400 A 51 ILE N N 15 127.057 0.400 A 52 PRO HA H 1 4.714 0.020 A 52 PRO HBy H 1 2.639 0.020 A 52 PRO HBx H 1 2.537 0.020 A 52 PRO HDy H 1 3.771 0.020 A 52 PRO HDx H 1 3.407 0.020 A 52 PRO HGy H 1 2.539 0.020 A 52 PRO HGx H 1 2.399 0.020 A 52 PRO C C 13 177.921 0.400 A 52 PRO CA C 13 62.258 0.400 A 52 PRO CB C 13 32.985 0.400 A 52 PRO CD C 13 51.420 0.400 A 52 PRO CG C 13 27.332 0.400 A 53 GLY H H 1 8.894 0.020 A 53 GLY HAy H 1 4.117 0.020 A 53 GLY HAx H 1 4.019 0.020 A 53 GLY C C 13 174.372 0.400 A 53 GLY CA C 13 46.713 0.400 A 53 GLY N N 15 107.334 0.400 A 54 THR H H 1 7.669 0.020 A 54 THR HA H 1 5.668 0.020 A 54 THR HB H 1 4.192 0.020 A 54 THR HG2% H 1 1.245 0.020 A 54 THR C C 13 172.778 0.400 A 54 THR CA C 13 59.297 0.400 A 54 THR CB C 13 72.778 0.400 A 54 THR CG2 C 13 21.964 0.400 A 54 THR N N 15 110.577 0.400 A 55 TRP H H 1 8.175 0.020 A 55 TRP HA H 1 4.450 0.020 A 55 TRP HBy H 1 2.054 0.020 A 55 TRP HBx H 1 1.471 0.020 A 55 TRP HD1 H 1 6.672 0.020 A 55 TRP HE1 H 1 9.851 0.020 A 55 TRP HE3 H 1 7.781 0.020 A 55 TRP HH2 H 1 7.203 0.020 A 55 TRP HZ2 H 1 7.350 0.020 A 55 TRP HZ3 H 1 7.369 0.020 A 55 TRP C C 13 174.283 0.400 A 55 TRP CA C 13 56.208 0.400 A 55 TRP CB C 13 31.498 0.400 A 55 TRP N N 15 120.997 0.400 A 55 TRP NE1 N 15 128.596 0.400 A 56 LEU H H 1 7.372 0.020 A 56 LEU HA H 1 4.187 0.020 A 56 LEU HBy H 1 1.326 0.020 A 56 LEU HBx H 1 1.100 0.020 A 56 LEU HDx% H 1 0.672 0.020 A 56 LEU HDy% H 1 0.580 0.020 A 56 LEU HG H 1 1.233 0.020 A 56 LEU C C 13 175.164 0.400 A 56 LEU CA C 13 54.689 0.400 A 56 LEU CB C 13 39.940 0.400 A 56 LEU CD1 C 13 24.640 0.400 A 56 LEU CD2 C 13 22.857 0.400 A 56 LEU CG C 13 26.855 0.400 A 56 LEU N N 15 130.472 0.400 A 57 CYS H H 1 8.121 0.020 A 57 CYS HA H 1 4.304 0.020 A 57 CYS HBy H 1 2.702 0.020 A 57 CYS HBx H 1 1.309 0.020 A 57 CYS CA C 13 59.968 0.400 A 57 CYS CB C 13 29.133 0.400 A 57 CYS N N 15 125.569 0.400 A 58 ARG HA H 1 3.998 0.020 A 58 ARG HBx H 1 1.909 0.020 A 58 ARG HBy H 1 1.909 0.020 A 58 ARG HDx H 1 3.352 0.020 A 58 ARG HDy H 1 3.352 0.020 A 58 ARG HGx H 1 1.725 0.020 A 58 ARG HGy H 1 1.725 0.020 A 58 ARG C C 13 175.571 0.400 A 58 ARG CA C 13 58.250 0.400 A 58 ARG CB C 13 29.992 0.400 A 58 ARG CD C 13 43.302 0.400 A 58 ARG CG C 13 27.054 0.400 A 59 ASN H H 1 6.928 0.020 A 59 ASN HA H 1 4.624 0.020 A 59 ASN HBy H 1 3.366 0.020 A 59 ASN HBx H 1 2.973 0.020 A 59 ASN HD2y H 1 8.067 0.020 A 59 ASN HD2x H 1 6.798 0.020 A 59 ASN C C 13 175.929 0.400 A 59 ASN CA C 13 52.391 0.400 A 59 ASN CB C 13 37.672 0.400 A 59 ASN N N 15 114.999 0.400 A 59 ASN ND2 N 15 109.761 0.400 A 60 GLY H H 1 8.230 0.020 A 60 GLY HAy H 1 4.111 0.020 A 60 GLY HAx H 1 3.550 0.020 A 60 GLY C C 13 173.345 0.400 A 60 GLY CA C 13 45.277 0.400 A 60 GLY N N 15 107.329 0.400 A 61 MET H H 1 7.399 0.020 A 61 MET HA H 1 4.548 0.020 A 61 MET HBy H 1 2.289 0.020 A 61 MET HBx H 1 1.985 0.020 A 61 MET HGx H 1 2.434 0.020 A 61 MET HGy H 1 2.434 0.020 A 61 MET C C 13 174.356 0.400 A 61 MET CA C 13 54.209 0.400 A 61 MET CB C 13 35.036 0.400 A 61 MET CG C 13 32.967 0.400 A 61 MET N N 15 118.228 0.400 A 62 GLU H H 1 8.736 0.020 A 62 GLU HA H 1 4.511 0.020 A 62 GLU HBx H 1 1.951 0.020 A 62 GLU HBy H 1 1.951 0.020 A 62 GLU CA C 13 56.573 0.400 A 62 GLU CB C 13 30.516 0.400 A 62 GLU N N 15 121.898 0.400 A 63 GLY H H 1 9.780 0.020 A 63 GLY HAy H 1 4.875 0.020 A 63 GLY HAx H 1 3.433 0.020 A 63 GLY C C 13 172.166 0.400 A 63 GLY CA C 13 44.281 0.400 A 63 GLY N N 15 116.874 0.400 A 64 THR H H 1 8.816 0.020 A 64 THR HA H 1 5.059 0.020 A 64 THR HB H 1 4.159 0.020 A 64 THR HG2% H 1 1.420 0.020 A 64 THR C C 13 174.688 0.400 A 64 THR CA C 13 61.917 0.400 A 64 THR CB C 13 70.939 0.400 A 64 THR CG2 C 13 21.574 0.400 A 64 THR N N 15 116.937 0.400 A 65 LEU H H 1 8.185 0.020 A 65 LEU HA H 1 3.785 0.020 A 65 LEU HBy H 1 1.737 0.020 A 65 LEU HBx H 1 1.566 0.020 A 65 LEU HDx% H 1 0.729 0.020 A 65 LEU HDy% H 1 0.508 0.020 A 65 LEU HG H 1 1.211 0.020 A 65 LEU C C 13 176.585 0.400 A 65 LEU CA C 13 56.115 0.400 A 65 LEU CB C 13 43.242 0.400 A 65 LEU CD1 C 13 26.152 0.400 A 65 LEU CD2 C 13 23.180 0.400 A 65 LEU CG C 13 26.726 0.400 A 65 LEU N N 15 129.791 0.400 A 66 ILE H H 1 8.712 0.020 A 66 ILE HA H 1 4.128 0.020 A 66 ILE HB H 1 1.676 0.020 A 66 ILE HD1% H 1 0.726 0.020 A 66 ILE HG1y H 1 1.463 0.020 A 66 ILE HG1x H 1 0.968 0.020 A 66 ILE HG2% H 1 0.859 0.020 A 66 ILE C C 13 175.698 0.400 A 66 ILE CA C 13 60.945 0.400 A 66 ILE CB C 13 38.591 0.400 A 66 ILE CD1 C 13 13.643 0.400 A 66 ILE CG1 C 13 27.229 0.400 A 66 ILE CG2 C 13 17.585 0.400 A 66 ILE N N 15 127.678 0.400 A 67 GLU H H 1 8.389 0.020 A 67 GLU HA H 1 4.309 0.020 A 67 GLU HBy H 1 2.057 0.020 A 67 GLU HBx H 1 1.941 0.020 A 67 GLU HGx H 1 2.209 0.020 A 67 GLU HGy H 1 2.209 0.020 A 67 GLU C C 13 176.557 0.400 A 67 GLU CA C 13 56.551 0.400 A 67 GLU CB C 13 31.051 0.400 A 67 GLU N N 15 126.146 0.400 A 68 GLY H H 1 8.336 0.020 A 68 GLY HAx H 1 3.950 0.020 A 68 GLY HAy H 1 3.950 0.020 A 68 GLY C C 13 173.461 0.400 A 68 GLY CA C 13 45.184 0.400 A 68 GLY N N 15 109.660 0.400 A 69 ASP H H 1 8.230 0.020 A 69 ASP HA H 1 4.626 0.020 A 69 ASP HBy H 1 2.677 0.020 A 69 ASP HBx H 1 2.538 0.020 A 69 ASP C C 13 175.943 0.400 A 69 ASP CA C 13 54.172 0.400 A 69 ASP CB C 13 41.340 0.400 A 69 ASP N N 15 120.238 0.400 A 70 LEU H H 1 8.119 0.020 A 70 LEU HA H 1 4.617 0.020 A 70 LEU HBy H 1 1.602 0.020 A 70 LEU HBx H 1 1.555 0.020 A 70 LEU HDx% H 1 0.933 0.020 A 70 LEU HDy% H 1 0.922 0.020 A 70 LEU HG H 1 1.673 0.020 A 70 LEU CA C 13 52.960 0.400 A 70 LEU CB C 13 42.082 0.400 A 70 LEU CD2 C 13 23.591 0.400 A 70 LEU N N 15 123.251 0.400 A 71 PRO C C 13 176.637 0.400 A 71 PRO CA C 13 62.920 0.400 A 71 PRO CB C 13 32.045 0.400 A 72 GLU H H 1 8.292 0.020 A 72 GLU HA H 1 4.536 0.020 A 72 GLU HBx H 1 1.960 0.020 A 72 GLU HBy H 1 1.960 0.020 A 72 GLU HGx H 1 2.301 0.020 A 72 GLU HGy H 1 2.301 0.020 A 72 GLU CA C 13 54.700 0.400 A 72 GLU CB C 13 29.932 0.400 A 72 GLU N N 15 121.854 0.400 A 73 PRO HA H 1 4.432 0.020 A 73 PRO HBy H 1 2.288 0.020 A 73 PRO HBx H 1 1.906 0.020 A 73 PRO HDy H 1 3.830 0.020 A 73 PRO HDx H 1 3.668 0.020 A 73 PRO HGx H 1 2.033 0.020 A 73 PRO HGy H 1 2.033 0.020 A 73 PRO C C 13 177.042 0.400 A 73 PRO CA C 13 63.552 0.400 A 73 PRO CB C 13 32.034 0.400 A 73 PRO CD C 13 50.586 0.400 A 73 PRO CG C 13 27.331 0.400 A 74 LYS H H 1 8.336 0.020 A 74 LYS HA H 1 4.284 0.020 A 74 LYS HBx H 1 1.825 0.020 A 74 LYS HBy H 1 1.825 0.020 A 74 LYS HDx H 1 1.704 0.020 A 74 LYS HDy H 1 1.704 0.020 A 74 LYS HEx H 1 3.008 0.020 A 74 LYS HEy H 1 3.008 0.020 A 74 LYS HGx H 1 1.477 0.020 A 74 LYS HGy H 1 1.477 0.020 A 74 LYS C C 13 176.581 0.400 A 74 LYS CA C 13 56.258 0.400 A 74 LYS CB C 13 32.876 0.400 A 74 LYS CD C 13 28.985 0.400 A 74 LYS CE C 13 41.984 0.400 A 74 LYS CG C 13 24.861 0.400 A 74 LYS N N 15 120.562 0.400 A 75 LYS H H 1 8.208 0.020 A 75 LYS HA H 1 4.358 0.020 A 75 LYS HBx H 1 1.810 0.020 A 75 LYS HBy H 1 1.810 0.020 A 75 LYS HGx H 1 1.424 0.020 A 75 LYS HGy H 1 1.424 0.020 A 75 LYS CA C 13 56.163 0.400 A 75 LYS CB C 13 33.111 0.400 A 75 LYS CG C 13 24.976 0.400 A 75 LYS N N 15 122.512 0.400 A 76 VAL H H 1 8.076 0.020 A 76 VAL HA H 1 4.116 0.020 A 76 VAL HB H 1 2.050 0.020 A 76 VAL HGx% H 1 0.931 0.020 A 76 VAL HGy% H 1 0.931 0.020 A 76 VAL C C 13 175.802 0.400 A 76 VAL CA C 13 62.002 0.400 A 76 VAL CB C 13 33.053 0.400 A 76 VAL N N 15 121.638 0.400 A 77 LYS H H 1 8.383 0.020 A 77 LYS HA H 1 4.639 0.020 A 77 LYS HBy H 1 1.830 0.020 A 77 LYS HBx H 1 1.728 0.020 A 77 LYS HEx H 1 3.010 0.020 A 77 LYS HEy H 1 3.010 0.020 A 77 LYS HGx H 1 1.486 0.020 A 77 LYS HGy H 1 1.486 0.020 A 77 LYS CA C 13 53.971 0.400 A 77 LYS CB C 13 32.666 0.400 A 77 LYS N N 15 127.091 0.400 A 79 PRO C C 13 176.060 0.400 A 79 PRO CA C 13 63.267 0.400 A 79 PRO CB C 13 31.907 0.400 A 80 ARG H H 1 7.789 0.020 A 80 ARG HA H 1 4.164 0.020 A 80 ARG HBy H 1 1.858 0.020 A 80 ARG HBx H 1 1.740 0.020 A 80 ARG HDx H 1 3.222 0.020 A 80 ARG HDy H 1 3.222 0.020 A 80 ARG HGx H 1 1.612 0.020 A 80 ARG HGy H 1 1.612 0.020 A 80 ARG CA C 13 57.341 0.400 A 80 ARG CB C 13 31.734 0.400 A 80 ARG N N 15 125.299 0.400 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 ARG H A 5 ARG HDx 1.0 . 5.50 2 2 A 5 ARG H A 5 ARG HDy 1.0 . 5.50 3 3 A 5 ARG H A 4 ASP HBx 1.0 . 4.97 4 4 A 5 ARG H A 4 ASP HBy 1.0 . 4.97 5 5 A 5 ARG H A 4 ASP HA 1.0 . 3.48 6 6 A 6 VAL H A 6 VAL HB 1.0 . 3.73 7 7 A 6 VAL H A 5 ARG HBx 1.0 . 4.46 8 8 A 6 VAL H A 5 ARG HBy 1.0 . 4.46 9 9 A 6 VAL H A 5 ARG HA 1.0 . 3.03 10 10 A 30 ILE H A 30 ILE HB 1.0 . 2.91 11 11 A 6 VAL HB A 7 LEU H 1.0 . 4.49 12 12 A 7 LEU H A 6 VAL HA 1.0 . 2.97 13 13 A 6 VAL H A 7 LEU H 1.0 . 4.43 14 14 A 8 ARG HA A 9 GLY H 1.0 . 3.16 15 15 A 67 GLU HA A 68 GLY H 1.0 . 3.34 16 16 A 14 ALA H A 14 ALA HB% 1.0 . 4.00 17 17 A 15 VAL H A 15 VAL HB 1.0 . 3.75 18 18 A 3 ALA HB% A 4 ASP H 1.0 . 3.73 19 19 A 14 ALA HB% A 15 VAL H 1.0 . 4.11 20 20 A 16 SER HA A 17 TYR H 1.0 . 3.40 21 21 A 18 GLU H A 18 GLU HGx 1.0 . 5.31 22 22 A 18 GLU H A 18 GLU HGy 1.0 . 5.31 23 23 A 18 GLU H A 18 GLU HBy 1.0 . 4.00 24 24 A 18 GLU H A 18 GLU HBx 1.0 . 4.00 25 25 A 18 GLU H A 17 TYR HA 1.0 . 3.29 26 26 A 18 GLU H A 17 TYR HBy 1.0 . 4.41 27 27 A 18 GLU H A 17 TYR HBx 1.0 . 4.41 28 28 A 18 GLU HA A 19 THR H 1.0 . 3.21 29 29 A 19 THR H A 19 THR HG2% 1.0 . 4.22 30 30 A 19 THR H A 18 GLU HBx 1.0 . 4.95 31 31 A 19 THR H A 18 GLU HBy 1.0 . 4.95 32 32 A 19 THR H A 18 GLU HGx 1.0 . 5.50 33 33 A 19 THR H A 18 GLU HGy 1.0 . 5.50 34 34 A 17 TYR HA A 19 THR H 1.0 . 5.50 35 35 A 19 THR H A 20 ASP HA 1.0 . 5.50 36 36 A 20 ASP H A 20 ASP HBx 1.0 . 4.19 37 37 A 20 ASP H A 20 ASP HBy 1.0 . 4.19 38 38 A 19 THR H A 20 ASP H 1.0 . 4.72 39 39 A 20 ASP H A 19 THR HA 1.0 . 3.32 40 40 A 19 THR HG2% A 20 ASP H 1.0 . 4.63 41 41 A 75 LYS HA A 76 VAL H 1.0 . 2.79 42 42 A 76 VAL H A 76 VAL HB 1.0 . 3.90 43 43 A 25 LEU H A 24 ASP HBx 1.0 . 3.84 44 44 A 25 LEU H A 24 ASP HBy 1.0 . 3.84 45 45 A 25 LEU H A 24 ASP HA 1.0 . 2.80 46 46 A 26 ALA H A 26 ALA HB% 1.0 . 3.01 47 47 A 26 ALA H A 25 LEU HA 1.0 . 2.63 48 48 A 28 ARG H A 28 ARG HBy 1.0 . 4.12 49 49 A 28 ARG H A 28 ARG HBx 1.0 . 3.17 50 50 A 28 ARG H A 28 ARG HGx 1.0 . 3.18 51 51 A 28 ARG H A 27 PRO HA 1.0 . 2.70 52 52 A 32 ARG H A 32 ARG HDx 1.0 . 5.50 53 53 A 32 ARG H A 32 ARG HDy 1.0 . 5.50 54 54 A 32 ARG H A 51 ILE HD1% 1.0 . 5.50 55 55 A 29 GLN H A 29 GLN HGy 1.0 . 3.43 56 56 A 29 GLN H A 29 GLN HBx 1.0 . 3.11 57 57 A 29 GLN H A 30 ILE HD1% 1.0 . 4.71 58 58 A 29 GLN H A 28 ARG HGy 1.0 . 3.83 59 59 A 28 ARG HBy A 29 GLN H 1.0 . 3.33 60 60 A 29 GLN H A 45 PHE HBx 1.0 . 4.51 61 61 A 29 GLN H A 45 PHE HBy 1.0 . 4.56 62 62 A 29 GLN H A 47 ASP HA 1.0 . 5.50 63 63 A 29 GLN H A 46 ALA HA 1.0 . 3.87 64 64 A 29 GLN H A 44 PRO HA 1.0 . 4.82 65 65 A 30 ILE H A 29 GLN HGy 1.0 . 4.93 66 66 A 30 ILE H A 30 ILE HG1y 1.0 . 4.03 67 67 A 30 ILE H A 30 ILE HG1x 1.0 . 4.03 68 68 A 30 ILE H A 51 ILE HD1% 1.0 . 5.17 69 69 A 30 ILE H A 28 ARG HGy 1.0 . 4.48 70 70 A 30 ILE H A 29 GLN HBy 1.0 . 3.91 71 71 A 30 ILE H A 44 PRO HA 1.0 . 4.75 72 72 A 30 ILE H A 29 GLN HE2y 1.0 . 5.50 73 73 A 30 ILE H A 29 GLN H 1.0 . 4.11 74 74 A 30 ILE HA A 31 ALA H 1.0 . 2.62 75 75 A 31 ALA H A 31 ALA HB% 1.0 . 3.03 76 76 A 31 ALA H A 43 VAL H 1.0 . 3.93 77 77 A 30 ILE H A 31 ALA H 1.0 . 4.26 78 78 A 31 ALA H A 45 PHE HD% 1.0 . 3.70 79 79 A 31 ALA H A 45 PHE HE% 1.0 . 4.38 80 80 A 44 PRO HA A 31 ALA H 1.0 . 3.60 81 81 A 29 GLN HBx A 31 ALA H 1.0 . 5.25 82 82 A 29 GLN HBy A 31 ALA H 1.0 . 5.50 83 83 A 30 ILE HB A 31 ALA H 1.0 . 4.44 84 84 A 31 ALA H A 43 VAL HB 1.0 . 4.41 85 85 A 31 ALA H A 51 ILE HG1x 1.0 . 5.50 86 86 A 31 ALA H A 30 ILE HG2% 1.0 . 3.19 87 87 A 31 ALA H A 51 ILE HG2% 1.0 . 4.52 88 88 A 51 ILE HD1% A 31 ALA H 1.0 . 4.93 89 89 A 31 ALA H A 43 VAL HGx% 1.0 . 4.82 90 90 A 32 ARG H A 32 ARG HBx 1.0 . 2.92 91 91 A 32 ARG H A 66 ILE HD1% 1.0 . 4.29 92 92 A 32 ARG H A 31 ALA HB% 1.0 . 3.19 93 93 A 32 ARG H A 65 LEU HA 1.0 . 5.04 94 94 A 32 ARG H A 31 ALA HA 1.0 . 2.62 95 95 A 32 ARG H A 42 GLU HA 1.0 . 4.91 96 96 A 32 ARG H A 33 TYR H 1.0 . 4.64 97 97 A 32 ARG H A 31 ALA H 1.0 . 4.54 98 98 A 45 PHE HBx A 45 PHE H 1.0 . 3.65 99 99 A 43 VAL H A 33 TYR H 1.0 . 4.55 100 100 A 29 GLN H A 45 PHE H 1.0 . 3.39 101 101 A 30 ILE H A 45 PHE H 1.0 . 4.53 102 102 A 33 TYR H A 41 PHE HD% 1.0 . 5.38 103 103 A 45 PHE HD% A 45 PHE H 1.0 . 3.43 104 104 A 33 TYR H A 33 TYR HD% 1.0 . 3.37 105 105 A 33 TYR H A 33 TYR HE% 1.0 . 5.32 106 106 A 33 TYR H A 40 GLU HA 1.0 . 4.54 107 107 A 33 TYR H A 32 ARG HA 1.0 . 2.73 108 108 A 44 PRO HA A 45 PHE H 1.0 . 2.77 109 109 A 33 TYR H A 41 PHE HA 1.0 . 4.82 110 110 A 30 ILE HA A 45 PHE H 1.0 . 3.34 111 111 A 46 ALA HA A 45 PHE H 1.0 . 5.31 112 112 A 65 LEU HA A 33 TYR H 1.0 . 4.93 113 113 A 45 PHE H A 44 PRO HDx 1.0 . 5.50 114 114 A 45 PHE H A 44 PRO HDy 1.0 . 5.50 115 115 A 33 TYR H A 63 GLY HAx 1.0 . 5.40 116 116 A 33 TYR H A 41 PHE HBx 1.0 . 5.11 117 117 A 45 PHE HBy A 45 PHE H 1.0 . 3.54 118 118 A 33 TYR H A 41 PHE HBy 1.0 . 4.23 119 119 A 33 TYR H A 42 GLU HGx 1.0 . 4.90 120 120 A 29 GLN HBx A 45 PHE H 1.0 . 4.01 121 121 A 28 ARG HBy A 45 PHE H 1.0 . 4.16 122 122 A 33 TYR H A 32 ARG HBy 1.0 . 3.34 123 123 A 33 TYR H A 32 ARG HGy 1.0 . 3.84 124 124 A 33 TYR H A 66 ILE HG1x 1.0 . 5.50 125 125 A 66 ILE HD1% A 33 TYR H 1.0 . 3.78 126 126 A 33 TYR H A 43 VAL HGy% 1.0 . 4.09 127 127 A 51 ILE HD1% A 45 PHE H 1.0 . 4.51 128 128 A 34 ARG H A 34 ARG HBy 1.0 . 3.24 129 129 A 34 ARG H A 34 ARG HBx 1.0 . 3.43 130 130 A 66 ILE HD1% A 34 ARG H 1.0 . 4.04 131 131 A 34 ARG H A 66 ILE HG2% 1.0 . 4.57 132 132 A 66 ILE HG1x A 34 ARG H 1.0 . 4.78 133 133 A 34 ARG H A 34 ARG HGx 1.0 . 5.12 134 134 A 34 ARG H A 34 ARG HGy 1.0 . 5.50 135 135 A 34 ARG H A 33 TYR HBx 1.0 . 3.53 136 136 A 34 ARG H A 33 TYR HBy 1.0 . 4.26 137 137 A 63 GLY HAx A 34 ARG H 1.0 . 4.16 138 138 A 65 LEU HA A 34 ARG H 1.0 . 4.38 139 139 A 34 ARG H A 64 THR HB 1.0 . 4.13 140 140 A 34 ARG H A 63 GLY HAy 1.0 . 4.05 141 141 A 34 ARG H A 33 TYR HA 1.0 . 2.77 142 142 A 40 GLU HA A 34 ARG H 1.0 . 4.60 143 143 A 33 TYR HD% A 34 ARG H 1.0 . 4.12 144 144 A 34 ARG H A 64 THR H 1.0 . 3.26 145 145 A 35 THR H A 35 THR HG2% 1.0 . 3.34 146 146 A 34 ARG HGy A 35 THR H 1.0 . 3.74 147 147 A 34 ARG HBx A 35 THR H 1.0 . 4.24 148 148 A 34 ARG HBy A 35 THR H 1.0 . 4.31 149 149 A 35 THR H A 39 GLU HBy 1.0 . 4.42 150 150 A 35 THR H A 34 ARG HDx 1.0 . 5.50 151 151 A 35 THR H A 34 ARG HDy 1.0 . 5.50 152 152 A 35 THR H A 38 GLY HAy 1.0 . 4.83 153 153 A 35 THR H A 36 ASP HA 1.0 . 5.50 154 154 A 35 THR H A 35 THR HB 1.0 . 4.18 155 155 A 63 GLY HAy A 35 THR H 1.0 . 4.67 156 156 A 40 GLU HA A 35 THR H 1.0 . 3.71 157 157 A 35 THR H A 34 ARG HA 1.0 . 2.86 158 158 A 35 THR H A 59 ASN HD2y 1.0 . 5.37 159 159 A 41 PHE HD% A 35 THR H 1.0 . 4.25 160 160 A 35 THR H A 37 ASN H 1.0 . 4.95 161 161 A 34 ARG H A 35 THR H 1.0 . 4.64 162 162 A 35 THR H A 41 PHE H 1.0 . 4.71 163 163 A 36 ASP H A 36 ASP HBx 1.0 . 3.48 164 164 A 36 ASP H A 36 ASP HBy 1.0 . 3.48 165 165 A 35 THR HG2% A 36 ASP H 1.0 . 3.73 166 166 A 36 ASP H A 61 MET HBy 1.0 . 4.50 167 167 A 36 ASP H A 39 GLU HGx 1.0 . 5.23 168 168 A 36 ASP H A 61 MET HBx 1.0 . 4.14 169 169 A 35 THR HB A 36 ASP H 1.0 . 2.95 170 170 A 36 ASP H A 35 THR HA 1.0 . 2.96 171 171 A 37 ASN H A 37 ASN HBy 1.0 . 3.69 172 172 A 37 ASN H A 37 ASN HBx 1.0 . 3.69 173 173 A 35 THR HG2% A 37 ASN H 1.0 . 4.16 174 174 A 37 ASN H A 39 GLU HGy 1.0 . 4.73 175 175 A 37 ASN H A 61 MET HBx 1.0 . 4.68 176 176 A 38 GLY HAy A 37 ASN H 1.0 . 5.02 177 177 A 37 ASN H A 38 GLY HAx 1.0 . 5.24 178 178 A 35 THR HB A 37 ASN H 1.0 . 3.45 179 179 A 37 ASN H A 35 THR HG1 1.0 . 3.51 180 180 A 59 ASN HD2y A 37 ASN H 1.0 . 4.50 181 181 A 37 ASN H A 36 ASP H 1.0 . 3.48 182 182 A 38 GLY HAx A 38 GLY H 1.0 . 2.94 183 183 A 38 GLY HAy A 38 GLY H 1.0 . 2.80 184 184 A 34 ARG HGx A 38 GLY H 1.0 . 4.62 185 185 A 34 ARG HGy A 38 GLY H 1.0 . 4.95 186 186 A 39 GLU HGy A 38 GLY H 1.0 . 4.72 187 187 A 39 GLU HGx A 38 GLY H 1.0 . 4.59 188 188 A 38 GLY H A 37 ASN HBx 1.0 . 4.71 189 189 A 38 GLY H A 37 ASN HBy 1.0 . 4.71 190 190 A 38 GLY H A 39 GLU HA 1.0 . 5.35 191 191 A 36 ASP HA A 38 GLY H 1.0 . 3.60 192 192 A 35 THR HB A 38 GLY H 1.0 . 4.54 193 193 A 35 THR HG1 A 38 GLY H 1.0 . 3.99 194 194 A 38 GLY H A 39 GLU H 1.0 . 3.00 195 195 A 37 ASN H A 38 GLY H 1.0 . 2.95 196 196 A 35 THR H A 38 GLY H 1.0 . 4.62 197 197 A 36 ASP H A 38 GLY H 1.0 . 4.90 198 198 A 39 GLU HBy A 39 GLU H 1.0 . 2.94 199 199 A 39 GLU HGy A 39 GLU H 1.0 . 3.34 200 200 A 39 GLU H A 39 GLU HBx 1.0 . 3.66 201 201 A 35 THR HG2% A 39 GLU H 1.0 . 4.46 202 202 A 39 GLU H A 37 ASN HBy 1.0 . 4.79 203 203 A 39 GLU H A 37 ASN HBx 1.0 . 4.79 204 204 A 36 ASP HA A 39 GLU H 1.0 . 5.50 205 205 A 39 GLU H A 37 ASN HA 1.0 . 4.58 206 206 A 35 THR HB A 39 GLU H 1.0 . 4.35 207 207 A 35 THR HG1 A 39 GLU H 1.0 . 3.71 208 208 A 59 ASN HD2y A 39 GLU H 1.0 . 4.95 209 209 A 37 ASN H A 39 GLU H 1.0 . 3.63 210 210 A 39 GLU H A 37 ASN HD2y 1.0 . 4.52 211 211 A 35 THR H A 39 GLU H 1.0 . 3.96 212 212 A 39 GLU HA A 40 GLU H 1.0 . 2.63 213 213 A 40 GLU H A 40 GLU HGy 1.0 . 4.36 214 214 A 40 GLU H A 40 GLU HGx 1.0 . 4.36 215 215 A 40 GLU H A 40 GLU HBx 1.0 . 3.00 216 216 A 39 GLU HBy A 40 GLU H 1.0 . 4.43 217 217 A 38 GLY HAx A 40 GLU H 1.0 . 5.50 218 218 A 39 GLU H A 40 GLU H 1.0 . 4.77 219 219 A 40 GLU H A 41 PHE HE% 1.0 . 5.22 220 220 A 41 PHE HD% A 40 GLU H 1.0 . 4.65 221 221 A 41 PHE H A 40 GLU H 1.0 . 4.50 222 222 A 40 GLU HA A 41 PHE H 1.0 . 2.77 223 223 A 41 PHE HBx A 41 PHE H 1.0 . 3.79 224 224 A 41 PHE HBy A 41 PHE H 1.0 . 3.41 225 225 A 41 PHE HD% A 41 PHE H 1.0 . 3.13 226 226 A 34 ARG HA A 41 PHE H 1.0 . 3.66 227 227 A 32 ARG HA A 41 PHE H 1.0 . 4.75 228 228 A 33 TYR H A 41 PHE H 1.0 . 3.45 229 229 A 33 TYR HD% A 41 PHE H 1.0 . 5.30 230 230 A 42 GLU HA A 41 PHE H 1.0 . 4.96 231 231 A 33 TYR HA A 41 PHE H 1.0 . 5.12 232 232 A 63 GLY HAx A 41 PHE H 1.0 . 5.38 233 233 A 33 TYR HBy A 41 PHE H 1.0 . 4.35 234 234 A 41 PHE H A 40 GLU HBy 1.0 . 3.41 235 235 A 32 ARG HBy A 41 PHE H 1.0 . 4.84 236 236 A 32 ARG HGy A 41 PHE H 1.0 . 4.85 237 237 A 35 THR HG2% A 41 PHE H 1.0 . 5.11 238 238 A 66 ILE HD1% A 41 PHE H 1.0 . 4.64 239 239 A 42 GLU H A 42 GLU HBx 1.0 . 3.86 240 240 A 42 GLU H A 32 ARG HGx 1.0 . 5.20 241 241 A 41 PHE HBy A 42 GLU H 1.0 . 3.59 242 242 A 41 PHE HBx A 42 GLU H 1.0 . 3.40 243 243 A 41 PHE HA A 42 GLU H 1.0 . 2.64 244 244 A 32 ARG HA A 42 GLU H 1.0 . 4.82 245 245 A 41 PHE HD% A 42 GLU H 1.0 . 3.65 246 246 A 41 PHE H A 42 GLU H 1.0 . 4.51 247 247 A 43 VAL H A 42 GLU H 1.0 . 4.58 248 248 A 43 VAL H A 42 GLU HA 1.0 . 2.85 249 249 A 43 VAL H A 43 VAL HB 1.0 . 3.40 250 250 A 43 VAL H A 43 VAL HGy% 1.0 . 3.45 251 251 A 43 VAL H A 43 VAL HGx% 1.0 . 4.03 252 252 A 43 VAL H A 30 ILE HG2% 1.0 . 3.86 253 253 A 31 ALA HB% A 43 VAL H 1.0 . 4.32 254 254 A 43 VAL H A 32 ARG HGx 1.0 . 4.58 255 255 A 43 VAL H A 42 GLU HBx 1.0 . 3.84 256 256 A 43 VAL H A 42 GLU HBy 1.0 . 4.39 257 257 A 43 VAL H A 42 GLU HGx 1.0 . 4.85 258 258 A 43 VAL H A 44 PRO HDy 1.0 . 4.37 259 259 A 30 ILE HA A 43 VAL H 1.0 . 5.38 260 260 A 43 VAL H A 31 ALA HA 1.0 . 5.50 261 261 A 43 VAL H A 32 ARG HA 1.0 . 3.83 262 262 A 43 VAL H A 33 TYR HE% 1.0 . 4.46 263 263 A 43 VAL H A 33 TYR HD% 1.0 . 4.36 264 264 A 46 ALA H A 46 ALA HB% 1.0 . 2.71 265 265 A 29 GLN HBx A 46 ALA H 1.0 . 5.50 266 266 A 45 PHE HBx A 46 ALA H 1.0 . 3.65 267 267 A 45 PHE HBy A 46 ALA H 1.0 . 4.08 268 268 A 46 ALA H A 45 PHE HA 1.0 . 2.71 269 269 A 45 PHE HD% A 46 ALA H 1.0 . 3.75 270 270 A 46 ALA H A 48 ASP H 1.0 . 4.74 271 271 A 46 ALA H A 47 ASP H 1.0 . 4.62 272 272 A 45 PHE H A 46 ALA H 1.0 . 4.56 273 273 A 46 ALA HB% A 47 ASP H 1.0 . 2.89 274 274 A 28 ARG HBy A 47 ASP H 1.0 . 5.18 275 275 A 47 ASP H A 27 PRO HBy 1.0 . 4.47 276 276 A 46 ALA HA A 47 ASP H 1.0 . 2.60 277 277 A 47 ASP H A 28 ARG HA 1.0 . 3.58 278 278 A 29 GLN HE2y A 47 ASP H 1.0 . 4.67 279 279 A 48 ASP H A 47 ASP H 1.0 . 3.24 280 280 A 48 ASP H A 49 ALA H 1.0 . 2.76 281 281 A 46 ALA HA A 48 ASP H 1.0 . 4.12 282 282 A 46 ALA HB% A 48 ASP H 1.0 . 2.96 283 283 A 49 ALA H A 49 ALA HB% 1.0 . 2.72 284 284 A 45 PHE HBx A 49 ALA H 1.0 . 4.79 285 285 A 49 ALA H A 48 ASP HBx 1.0 . 4.21 286 286 A 49 ALA H A 48 ASP HBy 1.0 . 4.21 287 287 A 49 ALA H A 50 GLU HA 1.0 . 5.11 288 288 A 49 ALA H A 29 GLN HE2x 1.0 . 3.69 289 289 A 47 ASP H A 49 ALA H 1.0 . 4.26 290 290 A 46 ALA H A 49 ALA H 1.0 . 4.45 291 291 A 49 ALA H A 50 GLU H 1.0 . 4.61 292 292 A 49 ALA HB% A 50 GLU H 1.0 . 2.91 293 293 A 50 GLU H A 49 ALA HA 1.0 . 2.55 294 294 A 51 ILE H A 51 ILE HB 1.0 . 2.83 295 295 A 51 ILE HG1x A 51 ILE H 1.0 . 3.84 296 296 A 51 ILE H A 51 ILE HG1y 1.0 . 2.98 297 297 A 51 ILE HD1% A 51 ILE H 1.0 . 3.39 298 298 A 31 ALA HB% A 51 ILE H 1.0 . 5.30 299 299 A 51 ILE H A 50 GLU HGx 1.0 . 4.70 300 300 A 51 ILE H A 50 GLU HGy 1.0 . 4.70 301 301 A 45 PHE HBx A 51 ILE H 1.0 . 5.50 302 302 A 51 ILE H A 52 PRO HDx 1.0 . 4.60 303 303 A 51 ILE H A 52 PRO HDy 1.0 . 4.60 304 304 A 50 GLU HA A 51 ILE H 1.0 . 2.86 305 305 A 45 PHE HE% A 51 ILE H 1.0 . 5.50 306 306 A 53 GLY H A 53 GLY HAx 1.0 . 2.92 307 307 A 53 GLY H A 54 THR HG2% 1.0 . 5.50 308 308 A 51 ILE HB A 53 GLY H 1.0 . 6.00 309 309 A 53 GLY H A 65 LEU HBy 1.0 . 5.50 310 310 A 53 GLY H A 52 PRO HBx 1.0 . 4.31 311 311 A 53 GLY H A 52 PRO HBy 1.0 . 3.91 312 312 A 54 THR H A 54 THR HB 1.0 . 3.88 313 313 A 54 THR HG2% A 54 THR H 1.0 . 3.23 314 314 A 51 ILE HG2% A 54 THR H 1.0 . 5.41 315 315 A 54 THR H A 64 THR HG2% 1.0 . 5.07 316 316 A 65 LEU HBy A 54 THR H 1.0 . 5.26 317 317 A 54 THR H A 52 PRO HGy 1.0 . 4.17 318 318 A 52 PRO HBy A 54 THR H 1.0 . 3.38 319 319 A 53 GLY HAx A 54 THR H 1.0 . 3.23 320 320 A 54 THR H A 55 TRP HA 1.0 . 5.20 321 321 A 54 THR H A 52 PRO HA 1.0 . 4.48 322 322 A 54 THR H A 64 THR HA 1.0 . 5.28 323 323 A 33 TYR HE% A 54 THR H 1.0 . 4.07 324 324 A 33 TYR HD% A 54 THR H 1.0 . 5.39 325 325 A 53 GLY H A 54 THR H 1.0 . 3.67 326 326 A 55 TRP H A 63 GLY H 1.0 . 4.02 327 327 A 55 TRP H A 55 TRP HE3 1.0 . 5.36 328 328 A 54 THR H A 55 TRP H 1.0 . 4.65 329 329 A 55 TRP H A 56 LEU H 1.0 . 4.45 330 330 A 33 TYR HD% A 55 TRP H 1.0 . 3.46 331 331 A 33 TYR HE% A 55 TRP H 1.0 . 3.82 332 332 A 55 TRP H A 54 THR HA 1.0 . 2.62 333 333 A 64 THR HA A 55 TRP H 1.0 . 3.68 334 334 A 63 GLY HAy A 55 TRP H 1.0 . 5.09 335 335 A 54 THR HB A 55 TRP H 1.0 . 2.74 336 336 A 63 GLY HAx A 55 TRP H 1.0 . 4.25 337 337 A 33 TYR HBx A 55 TRP H 1.0 . 4.65 338 338 A 55 TRP H A 55 TRP HBy 1.0 . 3.50 339 339 A 55 TRP H A 55 TRP HBx 1.0 . 3.20 340 340 A 54 THR HG2% A 55 TRP H 1.0 . 3.82 341 341 A 43 VAL HGy% A 55 TRP H 1.0 . 5.46 342 342 A 56 LEU H A 56 LEU HBx 1.0 . 3.21 343 343 A 56 LEU H A 56 LEU HBy 1.0 . 3.05 344 344 A 56 LEU H A 56 LEU HDy% 1.0 . 4.33 345 345 A 56 LEU H A 56 LEU HDx% 1.0 . 4.13 346 346 A 56 LEU H A 55 TRP HBx 1.0 . 4.21 347 347 A 56 LEU H A 56 LEU HG 1.0 . 3.96 348 348 A 56 LEU H A 55 TRP HBy 1.0 . 4.36 349 349 A 56 LEU H A 57 CYS HA 1.0 . 5.50 350 350 A 55 TRP HA A 56 LEU H 1.0 . 2.75 351 351 A 56 LEU H A 55 TRP HD1 1.0 . 4.31 352 352 A 55 TRP HE3 A 56 LEU H 1.0 . 4.54 353 353 A 56 LEU H A 57 CYS H 1.0 . 4.79 354 354 A 63 GLY H A 56 LEU H 1.0 . 4.71 355 355 A 57 CYS H A 57 CYS HBy 1.0 . 2.92 356 356 A 56 LEU HBx A 57 CYS H 1.0 . 3.75 357 357 A 56 LEU HDy% A 57 CYS H 1.0 . 3.21 358 358 A 56 LEU HDx% A 57 CYS H 1.0 . 4.72 359 359 A 56 LEU HBy A 57 CYS H 1.0 . 4.59 360 360 A 56 LEU HG A 57 CYS H 1.0 . 4.00 361 361 A 61 MET HBx A 57 CYS H 1.0 . 5.23 362 362 A 57 CYS H A 60 GLY HAy 1.0 . 5.49 363 363 A 57 CYS H A 58 ARG HA 1.0 . 5.50 364 364 A 57 CYS H A 62 GLU HA 1.0 . 3.51 365 365 A 57 CYS H A 56 LEU HA 1.0 . 2.53 366 366 A 55 TRP HD1 A 57 CYS H 1.0 . 5.24 367 367 A 63 GLY H A 57 CYS H 1.0 . 3.77 368 368 A 41 PHE HD% A 59 ASN H 1.0 . 4.58 369 369 A 41 PHE HE% A 59 ASN H 1.0 . 4.90 370 370 A 57 CYS HA A 59 ASN H 1.0 . 4.81 371 371 A 60 GLY HAy A 59 ASN H 1.0 . 5.06 372 372 A 59 ASN H A 59 ASN HBy 1.0 . 4.18 373 373 A 59 ASN H A 59 ASN HBx 1.0 . 4.18 374 374 A 57 CYS HBy A 59 ASN H 1.0 . 4.40 375 375 A 59 ASN H A 58 ARG HGx 1.0 . 5.46 376 376 A 59 ASN H A 58 ARG HGy 1.0 . 5.46 377 377 A 60 GLY H A 61 MET H 1.0 . 2.89 378 378 A 59 ASN H A 60 GLY H 1.0 . 3.15 379 379 A 60 GLY HAy A 60 GLY H 1.0 . 2.78 380 380 A 59 ASN HD2y A 60 GLY H 1.0 . 5.21 381 381 A 60 GLY H A 59 ASN HA 1.0 . 3.43 382 382 A 57 CYS HA A 60 GLY H 1.0 . 5.23 383 383 A 58 ARG HA A 60 GLY H 1.0 . 3.66 384 384 A 60 GLY H A 59 ASN HBy 1.0 . 4.48 385 385 A 60 GLY H A 59 ASN HBx 1.0 . 4.48 386 386 A 57 CYS HBy A 60 GLY H 1.0 . 4.14 387 387 A 61 MET HBy A 60 GLY H 1.0 . 4.91 388 388 A 56 LEU HDy% A 60 GLY H 1.0 . 3.97 389 389 A 61 MET HBx A 61 MET H 1.0 . 3.11 390 390 A 61 MET HBy A 61 MET H 1.0 . 3.03 391 391 A 56 LEU HDy% A 61 MET H 1.0 . 4.05 392 392 A 35 THR HG2% A 61 MET H 1.0 . 3.54 393 393 A 57 CYS HBy A 61 MET H 1.0 . 3.81 394 394 A 60 GLY HAy A 61 MET H 1.0 . 3.54 395 395 A 57 CYS HA A 61 MET H 1.0 . 5.50 396 396 A 35 THR HB A 61 MET H 1.0 . 4.61 397 397 A 59 ASN HD2y A 61 MET H 1.0 . 4.49 398 398 A 59 ASN H A 61 MET H 1.0 . 4.00 399 399 A 41 PHE HE% A 61 MET H 1.0 . 5.50 400 400 A 57 CYS H A 61 MET H 1.0 . 3.82 401 401 A 63 GLY H A 62 GLU H 1.0 . 4.41 402 402 A 57 CYS H A 62 GLU H 1.0 . 5.18 403 403 A 61 MET H A 62 GLU H 1.0 . 4.49 404 404 A 62 GLU H A 61 MET HA 1.0 . 2.46 405 405 A 56 LEU HA A 62 GLU H 1.0 . 4.97 406 406 A 44 PRO HDy A 42 GLU H 1.0 . 5.50 407 407 A 42 GLU HGx A 42 GLU H 1.0 . 3.19 408 408 A 42 GLU H A 42 GLU HBy 1.0 . 2.95 409 409 A 32 ARG HGy A 42 GLU H 1.0 . 4.59 410 410 A 56 LEU HG A 62 GLU H 1.0 . 4.78 411 411 A 43 VAL HGy% A 42 GLU H 1.0 . 4.55 412 412 A 56 LEU HDy% A 62 GLU H 1.0 . 4.83 413 413 A 30 ILE HG2% A 42 GLU H 1.0 . 5.50 414 414 A 35 THR HA A 63 GLY H 1.0 . 4.63 415 415 A 63 GLY H A 62 GLU HA 1.0 . 2.83 416 416 A 63 GLY H A 56 LEU HA 1.0 . 3.56 417 417 A 63 GLY H A 57 CYS HBy 1.0 . 4.82 418 418 A 33 TYR HBy A 63 GLY H 1.0 . 4.80 419 419 A 33 TYR HBx A 63 GLY H 1.0 . 4.37 420 420 A 63 GLY H A 62 GLU HBx 1.0 . 5.20 421 421 A 63 GLY H A 62 GLU HBy 1.0 . 5.20 422 422 A 35 THR HG2% A 63 GLY H 1.0 . 4.26 423 423 A 63 GLY HAy A 64 THR H 1.0 . 2.98 424 424 A 64 THR HB A 64 THR H 1.0 . 3.08 425 425 A 64 THR H A 64 THR HG2% 1.0 . 4.04 426 426 A 64 THR H A 54 THR HG2% 1.0 . 4.60 427 427 A 66 ILE HD1% A 64 THR H 1.0 . 4.98 428 428 A 34 ARG HBx A 64 THR H 1.0 . 4.70 429 429 A 34 ARG HBy A 64 THR H 1.0 . 4.96 430 430 A 33 TYR HBx A 64 THR H 1.0 . 3.89 431 431 A 33 TYR HBy A 64 THR H 1.0 . 5.09 432 432 A 63 GLY HAx A 64 THR H 1.0 . 3.18 433 433 A 64 THR H A 54 THR HA 1.0 . 5.29 434 434 A 64 THR H A 34 ARG HA 1.0 . 4.90 435 435 A 33 TYR HD% A 64 THR H 1.0 . 4.20 436 436 A 64 THR H A 55 TRP H 1.0 . 5.20 437 437 A 64 THR H A 35 THR H 1.0 . 4.84 438 438 A 64 THR H A 63 GLY H 1.0 . 4.75 439 439 A 65 LEU H A 65 LEU HBx 1.0 . 2.95 440 440 A 65 LEU HBy A 65 LEU H 1.0 . 2.77 441 441 A 64 THR HG2% A 65 LEU H 1.0 . 3.02 442 442 A 54 THR HG2% A 65 LEU H 1.0 . 3.39 443 443 A 65 LEU H A 65 LEU HDx% 1.0 . 4.32 444 444 A 65 LEU H A 65 LEU HDy% 1.0 . 4.32 445 445 A 33 TYR HBx A 65 LEU H 1.0 . 4.62 446 446 A 64 THR HB A 65 LEU H 1.0 . 4.10 447 447 A 64 THR HA A 65 LEU H 1.0 . 2.58 448 448 A 54 THR HA A 65 LEU H 1.0 . 3.44 449 449 A 33 TYR HE% A 65 LEU H 1.0 . 3.40 450 450 A 33 TYR HD% A 65 LEU H 1.0 . 3.25 451 451 A 54 THR H A 65 LEU H 1.0 . 4.82 452 452 A 65 LEU H A 66 ILE H 1.0 . 4.67 453 453 A 64 THR H A 65 LEU H 1.0 . 4.57 454 454 A 66 ILE H A 66 ILE HB 1.0 . 4.08 455 455 A 66 ILE H A 66 ILE HG1y 1.0 . 3.60 456 456 A 66 ILE HG1x A 66 ILE H 1.0 . 4.10 457 457 A 66 ILE HG2% A 66 ILE H 1.0 . 3.75 458 458 A 66 ILE HD1% A 66 ILE H 1.0 . 3.64 459 459 A 66 ILE H A 65 LEU HG 1.0 . 4.24 460 460 A 34 ARG HBy A 66 ILE H 1.0 . 5.44 461 461 A 33 TYR HBx A 66 ILE H 1.0 . 5.36 462 462 A 65 LEU HA A 66 ILE H 1.0 . 2.90 463 463 A 67 GLU HA A 66 ILE H 1.0 . 5.43 464 464 A 33 TYR HA A 66 ILE H 1.0 . 3.61 465 465 A 33 TYR HD% A 66 ILE H 1.0 . 4.87 466 466 A 32 ARG H A 66 ILE H 1.0 . 4.55 467 467 A 34 ARG H A 66 ILE H 1.0 . 4.14 468 468 A 66 ILE H A 67 GLU H 1.0 . 4.53 469 469 A 67 GLU H A 66 ILE HA 1.0 . 2.50 470 470 A 67 GLU H A 67 GLU HGx 1.0 . 4.92 471 471 A 67 GLU H A 67 GLU HGy 1.0 . 4.92 472 472 A 67 GLU H A 67 GLU HBy 1.0 . 3.78 473 473 A 67 GLU H A 67 GLU HBx 1.0 . 3.78 474 474 A 66 ILE HB A 67 GLU H 1.0 . 3.53 475 475 A 66 ILE HG1y A 67 GLU H 1.0 . 4.20 476 476 A 66 ILE HG1x A 67 GLU H 1.0 . 4.76 477 477 A 66 ILE HG2% A 67 GLU H 1.0 . 3.98 478 478 A 66 ILE HD1% A 67 GLU H 1.0 . 4.95 479 479 A 68 GLY H A 67 GLU HGx 1.0 . 5.50 480 480 A 68 GLY H A 67 GLU HGy 1.0 . 5.50 481 481 A 13 GLY H A 12 LEU HBx 1.0 . 5.19 482 482 A 13 GLY H A 12 LEU HBy 1.0 . 5.19 483 483 A 68 GLY H A 66 ILE HG1y 1.0 . 4.92 484 484 A 68 GLY H A 66 ILE HD1% 1.0 . 5.50 485 485 A 69 ASP H A 69 ASP HBx 1.0 . 3.96 486 486 A 69 ASP H A 69 ASP HBy 1.0 . 3.96 487 487 A 69 ASP H A 70 LEU H 1.0 . 4.08 488 488 A 67 GLU HA A 69 ASP H 1.0 . 4.48 489 489 A 70 LEU H A 69 ASP HA 1.0 . 3.17 490 490 A 70 LEU H A 69 ASP HBy 1.0 . 4.79 491 491 A 70 LEU H A 69 ASP HBx 1.0 . 4.79 492 492 A 70 LEU H A 70 LEU HBy 1.0 . 2.95 493 493 A 70 LEU H A 70 LEU HDx% 1.0 . 4.57 494 494 A 70 LEU H A 70 LEU HDy% 1.0 . 4.57 495 495 A 73 PRO HA A 74 LYS H 1.0 . 2.92 496 496 A 74 LYS H A 73 PRO HGx 1.0 . 5.50 497 497 A 74 LYS H A 73 PRO HGy 1.0 . 5.50 498 498 A 74 LYS H A 74 LYS HGx 1.0 . 5.41 499 499 A 74 LYS H A 74 LYS HGy 1.0 . 5.41 500 500 A 17 TYR H A 17 TYR HD% 1.0 . 4.68 501 501 A 17 TYR H A 18 GLU H 1.0 . 4.75 502 502 A 17 TYR H A 16 SER HBx 1.0 . 5.49 503 503 A 17 TYR H A 16 SER HBy 1.0 . 5.49 504 504 A 76 VAL H A 75 LYS HBx 1.0 . 5.24 505 505 A 76 VAL H A 75 LYS HBy 1.0 . 5.24 506 506 A 76 VAL H A 77 LYS H 1.0 . 4.86 507 507 A 77 LYS H A 76 VAL HA 1.0 . 2.99 508 508 A 76 VAL HB A 77 LYS H 1.0 . 4.56 509 509 A 77 LYS H A 77 LYS HBy 1.0 . 4.20 510 510 A 77 LYS H A 77 LYS HBx 1.0 . 4.20 511 511 A 77 LYS H A 77 LYS HGx 1.0 . 5.45 512 512 A 77 LYS H A 77 LYS HGy 1.0 . 5.45 513 513 A 77 LYS H A 76 VAL HGx% 1.0 . 4.86 514 514 A 77 LYS H A 76 VAL HGy% 1.0 . 4.86 515 515 A 72 GLU H A 73 PRO HDy 1.0 . 4.09 516 516 A 72 GLU H A 73 PRO HDx 1.0 . 4.09 517 517 A 72 GLU H A 72 GLU HGx 1.0 . 3.88 518 518 A 72 GLU H A 72 GLU HGy 1.0 . 3.88 519 519 A 8 ARG H A 7 LEU HBy 1.0 . 4.87 520 520 A 8 ARG H A 7 LEU HBx 1.0 . 4.87 521 521 A 11 ARG HA A 12 LEU H 1.0 . 3.55 522 522 A 12 LEU H A 12 LEU HBx 1.0 . 3.98 523 523 A 12 LEU H A 12 LEU HBy 1.0 . 3.98 524 524 A 16 SER H A 15 VAL HGx% 1.0 . 5.50 525 525 A 16 SER H A 15 VAL HGy% 1.0 . 5.50 526 526 A 63 GLY HAy A 57 CYS H 1.0 . 5.00 527 527 A 32 ARG HBx A 66 ILE H 1.0 . 4.84 528 528 A 32 ARG HBy A 66 ILE H 1.0 . 5.33 529 529 A 65 LEU HBy A 66 ILE H 1.0 . 5.48 530 530 A 59 ASN HD2x A 59 ASN HBx 1.0 . 3.88 531 531 A 59 ASN HD2x A 59 ASN HBy 1.0 . 3.88 532 532 A 43 VAL HA A 55 TRP HE1 1.0 . 5.50 533 533 A 55 TRP HA A 55 TRP HE1 1.0 . 5.50 534 534 A 43 VAL HB A 55 TRP HE1 1.0 . 4.92 535 535 A 55 TRP HBx A 55 TRP HE1 1.0 . 4.88 536 536 A 43 VAL HGy% A 55 TRP HE1 1.0 . 3.17 537 537 A 43 VAL HGx% A 55 TRP HE1 1.0 . 3.25 538 538 A 29 GLN HBx A 29 GLN HE2y 1.0 . 3.50 539 539 A 29 GLN HGy A 29 GLN HE2y 1.0 . 3.04 540 540 A 29 GLN HE2y A 28 ARG HA 1.0 . 4.17 541 541 A 48 ASP H A 29 GLN HE2x 1.0 . 4.79 542 542 A 28 ARG HA A 29 GLN HE2x 1.0 . 4.20 543 543 A 47 ASP HA A 29 GLN HE2x 1.0 . 3.66 544 544 A 45 PHE HBy A 29 GLN HE2x 1.0 . 4.26 545 545 A 45 PHE HBx A 29 GLN HE2x 1.0 . 4.43 546 546 A 29 GLN HGy A 29 GLN HE2x 1.0 . 3.73 547 547 A 29 GLN HBx A 29 GLN HE2x 1.0 . 3.70 548 548 A 28 ARG HBy A 29 GLN HE2x 1.0 . 5.50 549 549 A 49 ALA HB% A 29 GLN HE2x 1.0 . 3.95 550 550 A 29 GLN HE2x A 51 ILE HG1y 1.0 . 5.50 551 551 A 51 ILE HD1% A 29 GLN HE2x 1.0 . 4.32 552 552 A 28 ARG H A 29 GLN HE2y 1.0 . 5.46 553 553 A 29 GLN H A 29 GLN HE2y 1.0 . 4.40 554 554 A 47 ASP HA A 29 GLN HE2y 1.0 . 4.00 555 555 A 46 ALA HA A 29 GLN HE2y 1.0 . 4.80 556 556 A 45 PHE HBy A 29 GLN HE2y 1.0 . 4.10 557 557 A 45 PHE HBx A 29 GLN HE2y 1.0 . 4.03 558 558 A 51 ILE HD1% A 29 GLN HE2y 1.0 . 4.03 559 559 A 36 ASP H A 59 ASN HD2x 1.0 . 5.46 560 560 A 37 ASN H A 59 ASN HD2x 1.0 . 5.40 561 561 A 59 ASN HD2x A 37 ASN HD2x 1.0 . 5.50 562 562 A 35 THR HG1 A 59 ASN HD2x 1.0 . 4.18 563 563 A 35 THR HB A 59 ASN HD2x 1.0 . 4.16 564 564 A 59 ASN HA A 59 ASN HD2x 1.0 . 4.99 565 565 A 39 GLU HBy A 59 ASN HD2x 1.0 . 4.14 566 566 A 61 MET HBy A 59 ASN HD2x 1.0 . 4.11 567 567 A 39 GLU HBx A 59 ASN HD2x 1.0 . 5.17 568 568 A 35 THR HG2% A 59 ASN HD2x 1.0 . 3.94 569 569 A 59 ASN HD2y A 41 PHE HE% 1.0 . 3.66 570 570 A 59 ASN HD2y A 36 ASP H 1.0 . 4.69 571 571 A 59 ASN HD2y A 35 THR HG1 1.0 . 3.79 572 572 A 35 THR HB A 59 ASN HD2y 1.0 . 3.75 573 573 A 59 ASN HD2y A 59 ASN HA 1.0 . 4.72 574 574 A 59 ASN HD2y A 59 ASN HBy 1.0 . 3.49 575 575 A 59 ASN HD2y A 59 ASN HBx 1.0 . 3.49 576 576 A 59 ASN HD2y A 61 MET HBx 1.0 . 3.78 577 577 A 39 GLU HBy A 59 ASN HD2y 1.0 . 3.59 578 578 A 59 ASN HD2y A 61 MET HBy 1.0 . 3.89 579 579 A 59 ASN HD2y A 39 GLU HBx 1.0 . 4.28 580 580 A 35 THR HG2% A 59 ASN HD2y 1.0 . 3.22 581 581 A 41 PHE H A 41 PHE HE% 1.0 . 4.97 582 582 A 7 LEU H A 7 LEU HG 1.0 . 3.27 583 583 A 15 VAL H A 14 ALA HA 1.0 . 2.85 584 584 A 30 ILE H A 30 ILE HD1% 1.0 . 3.48 585 585 A 25 LEU H A 26 ALA HB% 1.0 . 4.72 586 586 A 26 ALA H A 27 PRO HA 1.0 . 5.50 587 587 A 29 GLN H A 28 ARG HA 1.0 . 2.66 588 588 A 30 ILE H A 29 GLN HA 1.0 . 2.49 589 589 A 63 GLY HAx A 35 THR H 1.0 . 4.90 590 590 A 59 ASN HD2y A 37 ASN HD2x 1.0 . 5.18 591 591 A 37 ASN H A 39 GLU HGx 1.0 . 3.49 592 592 A 39 GLU HGy A 37 ASN HD2x 1.0 . 5.27 593 593 A 41 PHE H A 57 CYS HBy 1.0 . 5.50 594 594 A 46 ALA H A 29 GLN HE2x 1.0 . 4.85 595 595 A 21 ARG H A 20 ASP HBx 1.0 . 5.30 596 596 A 21 ARG H A 20 ASP HBy 1.0 . 5.30 597 597 A 59 ASN HD2y A 57 CYS HBy 1.0 . 5.19 598 598 A 34 ARG H A 65 LEU H 1.0 . 4.84 599 599 A 37 ASN HA A 37 ASN HD2y 1.0 . 4.46 600 600 A 35 THR HG1 A 37 ASN HD2y 1.0 . 4.82 601 601 A 59 ASN HD2y A 37 ASN HD2y 1.0 . 4.76 602 602 A 80 ARG H A 80 ARG HGx 1.0 . 5.50 603 603 A 80 ARG H A 80 ARG HGy 1.0 . 5.50 604 604 A 39 GLU HGx A 37 ASN HD2y 1.0 . 3.61 605 605 A 39 GLU HGy A 37 ASN HD2y 1.0 . 4.38 606 606 A 39 GLU HBx A 37 ASN HD2y 1.0 . 5.07 607 607 A 21 ARG H A 21 ARG HGx 1.0 . 5.15 608 608 A 21 ARG H A 21 ARG HGy 1.0 . 5.15 609 609 A 20 ASP HA A 21 ARG H 1.0 . 3.26 610 610 A 25 LEU H A 24 ASP H 1.0 . 4.78 611 611 A 63 GLY H A 56 LEU HDy% 1.0 . 4.74 612 612 A 68 GLY H A 69 ASP H 1.0 . 3.93 613 613 A 55 TRP HA A 55 TRP HE3 1.0 . 3.18 614 614 A 72 GLU HA A 73 PRO HDy 1.0 . 3.68 615 615 A 72 GLU HA A 73 PRO HDx 1.0 . 3.68 616 616 A 24 ASP HA A 25 LEU HA 1.0 . 4.51 617 617 A 41 PHE HD% A 39 GLU HBx 1.0 . 4.18 618 618 A 25 LEU HA A 25 LEU HG 1.0 . 3.72 619 619 A 28 ARG HGy A 29 GLN HA 1.0 . 5.03 620 620 A 16 SER HA A 15 VAL HA 1.0 . 4.83 621 621 A 15 VAL HA A 15 VAL HGx% 1.0 . 4.06 622 622 A 15 VAL HA A 15 VAL HGy% 1.0 . 4.06 623 623 A 16 SER HBx A 15 VAL HA 1.0 . 5.50 624 624 A 16 SER HBy A 15 VAL HA 1.0 . 5.50 625 625 A 19 THR HG2% A 19 THR HA 1.0 . 3.43 626 626 A 67 GLU HA A 68 GLY HAx 1.0 . 5.50 627 627 A 67 GLU HA A 68 GLY HAy 1.0 . 5.50 628 628 A 8 ARG HA A 8 ARG HDx 1.0 . 5.50 629 629 A 8 ARG HA A 8 ARG HDy 1.0 . 5.50 630 630 A 70 LEU HA A 70 LEU HDx% 1.0 . 4.20 631 631 A 24 ASP HA A 25 LEU HG 1.0 . 5.50 632 632 A 51 ILE HG2% A 31 ALA HA 1.0 . 4.67 633 633 A 30 ILE HG2% A 31 ALA HA 1.0 . 4.48 634 634 A 26 ALA HA A 27 PRO HGx 1.0 . 5.50 635 635 A 26 ALA HA A 27 PRO HGy 1.0 . 5.50 636 636 A 44 PRO HDx A 43 VAL HA 1.0 . 2.98 637 637 A 43 VAL HGx% A 44 PRO HDx 1.0 . 3.62 638 638 A 44 PRO HDx A 43 VAL HGy% 1.0 . 4.73 639 639 A 44 PRO HDy A 43 VAL HGy% 1.0 . 5.31 640 640 A 70 LEU HDx% A 73 PRO HDy 1.0 . 5.50 641 641 A 70 LEU HDy% A 73 PRO HDy 1.0 . 5.50 642 642 A 73 PRO HDx A 70 LEU HDx% 1.0 . 5.50 643 643 A 70 LEU HDy% A 73 PRO HDx 1.0 . 5.50 644 644 A 28 ARG HA A 28 ARG HDx 1.0 . 5.50 645 645 A 28 ARG HA A 28 ARG HDy 1.0 . 5.50 646 646 A 28 ARG HGx A 28 ARG HA 1.0 . 4.16 647 647 A 46 ALA HB% A 28 ARG HA 1.0 . 5.21 648 648 A 29 GLN HBx A 28 ARG HA 1.0 . 4.81 649 649 A 46 ALA HA A 28 ARG HA 1.0 . 4.01 650 650 A 30 ILE HG2% A 42 GLU HBx 1.0 . 3.57 651 651 A 28 ARG HBx A 46 ALA HA 1.0 . 4.75 652 652 A 29 GLN HGy A 29 GLN HA 1.0 . 3.87 653 653 A 55 TRP HBy A 55 TRP HD1 1.0 . 3.82 654 654 A 29 GLN HBx A 45 PHE HBy 1.0 . 4.79 655 655 A 29 GLN HBx A 45 PHE HBx 1.0 . 4.50 656 656 A 55 TRP HBy A 52 PRO HGx 1.0 . 5.14 657 657 A 29 GLN HBx A 49 ALA HB% 1.0 . 5.50 658 658 A 65 LEU HBy A 55 TRP HBy 1.0 . 5.50 659 659 A 30 ILE HG2% A 42 GLU HBy 1.0 . 3.94 660 660 A 51 ILE HD1% A 29 GLN HBx 1.0 . 3.97 661 661 A 51 ILE HD1% A 29 GLN HBy 1.0 . 4.59 662 662 A 29 GLN HBy A 29 GLN HGx 1.0 . 2.95 663 663 A 51 ILE HD1% A 29 GLN HGx 1.0 . 4.48 664 664 A 29 GLN HGy A 45 PHE HBx 1.0 . 5.50 665 665 A 45 PHE HBy A 29 GLN HGx 1.0 . 5.50 666 666 A 29 GLN HGy A 45 PHE HBy 1.0 . 5.50 667 667 A 29 GLN HGy A 47 ASP HA 1.0 . 4.75 668 668 A 30 ILE HA A 31 ALA HB% 1.0 . 4.79 669 669 A 30 ILE HA A 44 PRO HBx 1.0 . 4.98 670 670 A 30 ILE HA A 44 PRO HBy 1.0 . 4.98 671 671 A 29 GLN HBx A 30 ILE HA 1.0 . 5.49 672 672 A 29 GLN HBy A 30 ILE HA 1.0 . 5.50 673 673 A 30 ILE HA A 45 PHE HD% 1.0 . 4.57 674 674 A 30 ILE HD1% A 29 GLN HA 1.0 . 4.15 675 675 A 30 ILE HB A 30 ILE HD1% 1.0 . 3.87 676 676 A 30 ILE HD1% A 44 PRO HBx 1.0 . 4.96 677 677 A 30 ILE HD1% A 44 PRO HBy 1.0 . 4.96 678 678 A 30 ILE HG2% A 30 ILE HG1y 1.0 . 3.87 679 679 A 30 ILE HG2% A 30 ILE HG1x 1.0 . 3.87 680 680 A 35 THR HG2% A 57 CYS HA 1.0 . 5.27 681 681 A 35 THR HG2% A 61 MET HBx 1.0 . 4.02 682 682 A 35 THR HG2% A 39 GLU HBy 1.0 . 4.92 683 683 A 35 THR HG2% A 39 GLU HGy 1.0 . 5.40 684 684 A 31 ALA HB% A 51 ILE HG1x 1.0 . 5.50 685 685 A 31 ALA HB% A 65 LEU HDx% 1.0 . 3.93 686 686 A 31 ALA HB% A 43 VAL HGy% 1.0 . 4.84 687 687 A 31 ALA HB% A 32 ARG HA 1.0 . 5.41 688 688 A 32 ARG HA A 42 GLU HBy 1.0 . 5.50 689 689 A 66 ILE HD1% A 32 ARG HBy 1.0 . 3.52 690 690 A 32 ARG HBy A 66 ILE HG2% 1.0 . 5.06 691 691 A 30 ILE HG2% A 32 ARG HGx 1.0 . 4.09 692 692 A 42 GLU HGx A 32 ARG HGx 1.0 . 5.50 693 693 A 66 ILE HD1% A 32 ARG HGy 1.0 . 4.18 694 694 A 32 ARG HGy A 42 GLU HGy 1.0 . 4.85 695 695 A 42 GLU HGx A 32 ARG HGy 1.0 . 5.30 696 696 A 34 ARG HA A 40 GLU HBy 1.0 . 4.52 697 697 A 41 PHE HD% A 34 ARG HA 1.0 . 4.67 698 698 A 66 ILE HD1% A 34 ARG HBy 1.0 . 4.14 699 699 A 34 ARG HBy A 66 ILE HG2% 1.0 . 5.05 700 700 A 34 ARG HBy A 66 ILE HG1y 1.0 . 5.17 701 701 A 66 ILE HD1% A 40 GLU HBy 1.0 . 3.72 702 702 A 34 ARG HBx A 66 ILE HG2% 1.0 . 5.05 703 703 A 41 PHE HD% A 35 THR HA 1.0 . 5.50 704 704 A 63 GLY HAx A 35 THR HA 1.0 . 3.75 705 705 A 39 GLU HBy A 35 THR HB 1.0 . 4.46 706 706 A 41 PHE HD% A 35 THR HB 1.0 . 5.50 707 707 A 51 ILE HD1% A 31 ALA HB% 1.0 . 3.48 708 708 A 31 ALA HB% A 51 ILE HG2% 1.0 . 2.84 709 709 A 39 GLU HGx A 37 ASN HBx 1.0 . 4.56 710 710 A 34 ARG HGx A 38 GLY HAx 1.0 . 5.50 711 711 A 34 ARG HGy A 38 GLY HAx 1.0 . 5.50 712 712 A 39 GLU HGy A 38 GLY HAx 1.0 . 5.07 713 713 A 38 GLY HAx A 39 GLU HA 1.0 . 5.05 714 714 A 38 GLY HAy A 39 GLU HGy 1.0 . 5.50 715 715 A 34 ARG HGx A 38 GLY HAy 1.0 . 5.50 716 716 A 34 ARG HGy A 38 GLY HAy 1.0 . 5.50 717 717 A 41 PHE HD% A 39 GLU HA 1.0 . 5.22 718 718 A 41 PHE HD% A 39 GLU HBy 1.0 . 3.65 719 719 A 39 GLU HGx A 39 GLU HA 1.0 . 3.84 720 720 A 39 GLU HGy A 39 GLU HA 1.0 . 3.39 721 721 A 39 GLU HGx A 39 GLU H 1.0 . 4.90 722 722 A 32 ARG HGy A 40 GLU HBy 1.0 . 4.44 723 723 A 30 ILE HG2% A 42 GLU HGx 1.0 . 4.58 724 724 A 42 GLU HGx A 32 ARG HDx 1.0 . 5.50 725 725 A 42 GLU HGx A 32 ARG HDy 1.0 . 5.50 726 726 A 30 ILE HG2% A 42 GLU HGy 1.0 . 4.03 727 727 A 32 ARG HGx A 42 GLU HGy 1.0 . 5.11 728 728 A 32 ARG HA A 42 GLU HGy 1.0 . 5.46 729 729 A 32 ARG HBx A 42 GLU HA 1.0 . 5.09 730 730 A 42 GLU HA A 32 ARG HBy 1.0 . 5.37 731 731 A 43 VAL HGy% A 43 VAL HA 1.0 . 3.46 732 732 A 43 VAL HGx% A 43 VAL HA 1.0 . 3.40 733 733 A 30 ILE HG2% A 43 VAL HA 1.0 . 5.13 734 734 A 43 VAL HB A 30 ILE HG2% 1.0 . 5.50 735 735 A 31 ALA HB% A 43 VAL HB 1.0 . 4.21 736 736 A 43 VAL HB A 55 TRP HBy 1.0 . 5.05 737 737 A 43 VAL HGy% A 42 GLU HBy 1.0 . 5.50 738 738 A 43 VAL HGy% A 55 TRP HBy 1.0 . 5.50 739 739 A 41 PHE HBy A 43 VAL HGy% 1.0 . 4.76 740 740 A 41 PHE HBx A 43 VAL HGy% 1.0 . 4.78 741 741 A 43 VAL HGy% A 45 PHE HZ 1.0 . 4.95 742 742 A 31 ALA HB% A 43 VAL HGx% 1.0 . 5.02 743 743 A 43 VAL HGx% A 55 TRP HBy 1.0 . 5.50 744 744 A 30 ILE HB A 44 PRO HA 1.0 . 5.21 745 745 A 28 ARG HBy A 44 PRO HA 1.0 . 5.32 746 746 A 44 PRO HDy A 42 GLU HBx 1.0 . 5.20 747 747 A 43 VAL HA A 44 PRO HGx 1.0 . 5.26 748 748 A 43 VAL HA A 44 PRO HGy 1.0 . 5.26 749 749 A 28 ARG HGy A 46 ALA HA 1.0 . 5.50 750 750 A 45 PHE HBy A 46 ALA HA 1.0 . 5.50 751 751 A 46 ALA HB% A 45 PHE HA 1.0 . 5.50 752 752 A 48 ASP HA A 48 ASP HBy 1.0 . 3.02 753 753 A 48 ASP HA A 48 ASP HBx 1.0 . 3.02 754 754 A 50 GLU HA A 49 ALA HA 1.0 . 5.15 755 755 A 45 PHE HA A 49 ALA HB% 1.0 . 4.70 756 756 A 45 PHE HBy A 49 ALA HB% 1.0 . 4.52 757 757 A 45 PHE HBx A 49 ALA HB% 1.0 . 3.95 758 758 A 51 ILE HD1% A 49 ALA HB% 1.0 . 4.73 759 759 A 49 ALA HB% A 50 GLU HA 1.0 . 5.13 760 760 A 51 ILE HD1% A 51 ILE HA 1.0 . 3.68 761 761 A 51 ILE HG2% A 51 ILE HA 1.0 . 3.35 762 762 A 52 PRO HGy A 51 ILE HA 1.0 . 4.82 763 763 A 52 PRO HGx A 51 ILE HA 1.0 . 4.66 764 764 A 52 PRO HBy A 51 ILE HA 1.0 . 5.50 765 765 A 51 ILE HA A 52 PRO HDx 1.0 . 3.25 766 766 A 51 ILE HA A 52 PRO HDy 1.0 . 3.25 767 767 A 51 ILE HD1% A 51 ILE HB 1.0 . 3.42 768 768 A 31 ALA HB% A 51 ILE HB 1.0 . 5.02 769 769 A 51 ILE HD1% A 51 ILE HG2% 1.0 . 2.98 770 770 A 51 ILE HD1% A 65 LEU HDx% 1.0 . 5.13 771 771 A 51 ILE HD1% A 29 GLN HGy 1.0 . 5.50 772 772 A 51 ILE HD1% A 45 PHE HBx 1.0 . 4.38 773 773 A 51 ILE HD1% A 45 PHE HBy 1.0 . 4.48 774 774 A 51 ILE HD1% A 31 ALA HA 1.0 . 4.82 775 775 A 51 ILE HG1y A 51 ILE HA 1.0 . 4.23 776 776 A 51 ILE HG1y A 52 PRO HDy 1.0 . 5.50 777 777 A 51 ILE HG1y A 52 PRO HDx 1.0 . 5.50 778 778 A 45 PHE HBy A 51 ILE HG1y 1.0 . 5.37 779 779 A 45 PHE HBx A 51 ILE HG1y 1.0 . 5.36 780 780 A 45 PHE HD% A 51 ILE HG1y 1.0 . 5.16 781 781 A 51 ILE HG1x A 51 ILE HG2% 1.0 . 3.85 782 782 A 51 ILE HG2% A 52 PRO HBx 1.0 . 5.50 783 783 A 51 ILE HG2% A 52 PRO HGx 1.0 . 5.50 784 784 A 52 PRO HA A 53 GLY HAy 1.0 . 5.32 785 785 A 52 PRO HBx A 55 TRP HE3 1.0 . 4.45 786 786 A 52 PRO HBx A 55 TRP HZ3 1.0 . 5.00 787 787 A 52 PRO HBy A 55 TRP HBy 1.0 . 5.04 788 788 A 51 ILE HD1% A 52 PRO HDx 1.0 . 5.16 789 789 A 51 ILE HG2% A 52 PRO HDx 1.0 . 4.28 790 790 A 51 ILE HG2% A 52 PRO HDy 1.0 . 4.28 791 791 A 51 ILE HD1% A 52 PRO HDy 1.0 . 5.16 792 792 A 45 PHE HD% A 52 PRO HDy 1.0 . 4.56 793 793 A 65 LEU HBx A 53 GLY HAy 1.0 . 4.39 794 794 A 65 LEU HBy A 53 GLY HAy 1.0 . 4.28 795 795 A 53 GLY HAx A 54 THR HG2% 1.0 . 4.69 796 796 A 51 ILE HG2% A 53 GLY HAy 1.0 . 4.96 797 797 A 54 THR HB A 64 THR HG2% 1.0 . 4.86 798 798 A 54 THR HB A 55 TRP HBy 1.0 . 5.33 799 799 A 56 LEU HDy% A 62 GLU HA 1.0 . 3.89 800 800 A 62 GLU HA A 56 LEU HA 1.0 . 2.95 801 801 A 33 TYR HD% A 55 TRP HA 1.0 . 5.50 802 802 A 56 LEU HG A 56 LEU HA 1.0 . 4.14 803 803 A 56 LEU HDx% A 56 LEU HA 1.0 . 4.38 804 804 A 56 LEU HDy% A 56 LEU HA 1.0 . 3.17 805 805 A 56 LEU HBx A 56 LEU HDx% 1.0 . 3.44 806 806 A 56 LEU HBx A 56 LEU HDy% 1.0 . 3.80 807 807 A 56 LEU HBy A 56 LEU HDy% 1.0 . 3.62 808 808 A 56 LEU HBy A 56 LEU HDx% 1.0 . 3.51 809 809 A 33 TYR HE% A 65 LEU HDy% 1.0 . 4.62 810 810 A 31 ALA HB% A 65 LEU HG 1.0 . 4.04 811 811 A 43 VAL HGy% A 57 CYS HA 1.0 . 5.14 812 812 A 57 CYS HA A 58 ARG HA 1.0 . 4.92 813 813 A 57 CYS HA A 56 LEU HA 1.0 . 4.82 814 814 A 41 PHE HBy A 57 CYS HBx 1.0 . 5.38 815 815 A 58 ARG HA A 58 ARG HDx 1.0 . 5.50 816 816 A 58 ARG HA A 58 ARG HDy 1.0 . 5.50 817 817 A 41 PHE HE% A 59 ASN HBx 1.0 . 3.84 818 818 A 35 THR HG2% A 61 MET HBy 1.0 . 3.82 819 819 A 35 THR HG2% A 61 MET HGx 1.0 . 5.50 820 820 A 35 THR HG2% A 61 MET HGy 1.0 . 5.50 821 821 A 63 GLY HAx A 35 THR HG2% 1.0 . 3.82 822 822 A 63 GLY HAx A 33 TYR HBx 1.0 . 4.04 823 823 A 63 GLY HAx A 33 TYR HBy 1.0 . 4.03 824 824 A 41 PHE HD% A 63 GLY HAx 1.0 . 5.33 825 825 A 64 THR HB A 54 THR HA 1.0 . 5.50 826 826 A 64 THR HB A 54 THR HG2% 1.0 . 4.82 827 827 A 54 THR HG2% A 64 THR HG2% 1.0 . 3.49 828 828 A 66 ILE HD1% A 65 LEU HA 1.0 . 4.44 829 829 A 31 ALA HB% A 65 LEU HA 1.0 . 5.11 830 830 A 65 LEU HA A 33 TYR HBx 1.0 . 5.21 831 831 A 65 LEU HA A 33 TYR HBy 1.0 . 5.08 832 832 A 65 LEU HBx A 65 LEU HDx% 1.0 . 3.64 833 833 A 65 LEU HBx A 65 LEU HDy% 1.0 . 3.64 834 834 A 65 LEU HBy A 65 LEU HDx% 1.0 . 3.99 835 835 A 51 ILE HG2% A 65 LEU HBy 1.0 . 3.88 836 836 A 31 ALA HB% A 65 LEU HBy 1.0 . 5.31 837 837 A 53 GLY HAx A 65 LEU HBx 1.0 . 5.47 838 838 A 53 GLY HAx A 65 LEU HBy 1.0 . 5.50 839 839 A 33 TYR HA A 65 LEU HBy 1.0 . 5.14 840 840 A 33 TYR HE% A 65 LEU HBx 1.0 . 4.10 841 841 A 33 TYR HD% A 65 LEU HBx 1.0 . 4.88 842 842 A 65 LEU HBy A 65 LEU HDy% 1.0 . 3.99 843 843 A 51 ILE HD1% A 65 LEU HDy% 1.0 . 5.13 844 844 A 31 ALA HB% A 65 LEU HDy% 1.0 . 3.93 845 845 A 66 ILE HG1y A 66 ILE HA 1.0 . 4.21 846 846 A 66 ILE HD1% A 66 ILE HA 1.0 . 3.89 847 847 A 66 ILE HD1% A 66 ILE HB 1.0 . 3.31 848 848 A 66 ILE HD1% A 66 ILE HG2% 1.0 . 2.95 849 849 A 66 ILE HD1% A 64 THR HG2% 1.0 . 5.50 850 850 A 66 ILE HD1% A 34 ARG HBx 1.0 . 4.20 851 851 A 66 ILE HD1% A 34 ARG HDx 1.0 . 5.50 852 852 A 66 ILE HD1% A 34 ARG HDy 1.0 . 5.50 853 853 A 66 ILE HG2% A 66 ILE HG1y 1.0 . 3.83 854 854 A 66 ILE HG1x A 66 ILE HG2% 1.0 . 3.71 855 855 A 66 ILE HG1x A 34 ARG HBx 1.0 . 5.18 856 856 A 66 ILE HG1x A 40 GLU HBy 1.0 . 5.49 857 857 A 66 ILE HG1x A 34 ARG HBy 1.0 . 4.99 858 858 A 70 LEU HA A 70 LEU HDy% 1.0 . 4.20 859 859 A 76 VAL HB A 77 LYS HA 1.0 . 5.07 860 860 A 56 LEU HDy% A 60 GLY HAy 1.0 . 4.41 861 861 A 56 LEU HDy% A 60 GLY HAx 1.0 . 4.54 862 862 A 56 LEU HDx% A 60 GLY HAy 1.0 . 5.32 863 863 A 41 PHE HD% A 59 ASN HBy 1.0 . 4.72 864 864 A 39 GLU HGx A 37 ASN HBy 1.0 . 4.56 865 865 A 55 TRP HE3 A 55 TRP HBx 1.0 . 4.21 866 866 A 35 THR HG2% A 57 CYS HBy 1.0 . 3.75 867 867 A 30 ILE HA A 30 ILE HG2% 1.0 . 3.22 868 868 A 30 ILE HD1% A 30 ILE HA 1.0 . 3.57 869 869 A 66 ILE HG2% A 66 ILE HA 1.0 . 3.15 870 870 A 45 PHE HD% A 45 PHE HA 1.0 . 3.06 871 871 A 45 PHE HE% A 52 PRO HGx 1.0 . 3.70 872 872 A 45 PHE HE% A 45 PHE HA 1.0 . 4.68 873 873 A 52 PRO HGx A 45 PHE HZ 1.0 . 4.09 874 874 A 45 PHE HD% A 45 PHE HZ 1.0 . 3.97 875 875 A 55 TRP HA A 55 TRP HD1 1.0 . 4.38 876 876 A 33 TYR HD% A 32 ARG HA 1.0 . 4.00 877 877 A 65 LEU HA A 33 TYR HD% 1.0 . 3.35 878 878 A 65 LEU HA A 33 TYR HE% 1.0 . 3.85 879 879 A 41 PHE HD% A 41 PHE HA 1.0 . 3.13 880 880 A 43 VAL HGx% A 45 PHE HZ 1.0 . 3.58 881 881 A 43 VAL HGx% A 33 TYR HE% 1.0 . 3.73 882 882 A 51 ILE HG2% A 45 PHE HZ 1.0 . 4.41 883 883 A 51 ILE HG2% A 33 TYR HE% 1.0 . 3.43 884 884 A 33 TYR HE% A 43 VAL HGy% 1.0 . 3.38 885 885 A 33 TYR HE% A 65 LEU HDx% 1.0 . 4.62 886 886 A 31 ALA HB% A 33 TYR HE% 1.0 . 3.08 887 887 A 31 ALA HB% A 45 PHE HZ 1.0 . 4.94 888 888 A 33 TYR HE% A 65 LEU HBy 1.0 . 3.51 889 889 A 43 VAL HB A 33 TYR HE% 1.0 . 3.10 890 890 A 43 VAL HB A 45 PHE HZ 1.0 . 4.35 891 891 A 33 TYR HE% A 55 TRP HBy 1.0 . 4.21 892 892 A 45 PHE HZ A 52 PRO HDy 1.0 . 4.06 893 893 A 45 PHE HZ A 51 ILE HA 1.0 . 4.28 894 894 A 45 PHE HZ A 52 PRO HDx 1.0 . 4.06 895 895 A 45 PHE HZ A 55 TRP HZ3 1.0 . 4.07 896 896 A 43 VAL HGx% A 55 TRP HD1 1.0 . 3.80 897 897 A 33 TYR HD% A 43 VAL HGy% 1.0 . 3.13 898 898 A 43 VAL HGy% A 55 TRP HD1 1.0 . 3.34 899 899 A 66 ILE HD1% A 33 TYR HD% 1.0 . 4.20 900 900 A 33 TYR HD% A 54 THR HG2% 1.0 . 4.08 901 901 A 33 TYR HD% A 65 LEU HBy 1.0 . 3.90 902 902 A 43 VAL HB A 33 TYR HD% 1.0 . 3.36 903 903 A 33 TYR HD% A 55 TRP HBy 1.0 . 4.37 904 904 A 33 TYR HD% A 55 TRP HBx 1.0 . 3.79 905 905 A 31 ALA HB% A 33 TYR HD% 1.0 . 4.02 906 906 A 33 TYR HD% A 63 GLY HAx 1.0 . 4.03 907 907 A 19 THR HA A 17 TYR HE% 1.0 . 4.88 908 908 A 15 VAL HB A 17 TYR HE% 1.0 . 5.22 909 909 A 59 ASN HD2y A 39 GLU HGy 1.0 . 5.46 910 910 A 19 THR HG2% A 17 TYR HE% 1.0 . 4.69 911 911 A 17 TYR HE% A 15 VAL HGy% 1.0 . 5.41 912 912 A 45 PHE HE% A 55 TRP HZ3 1.0 . 3.53 913 913 A 45 PHE HE% A 55 TRP HH2 1.0 . 4.08 914 914 A 45 PHE HE% A 33 TYR HD% 1.0 . 4.44 915 915 A 45 PHE HE% A 33 TYR HE% 1.0 . 3.02 916 916 A 41 PHE HD% A 40 GLU HA 1.0 . 3.51 917 917 A 44 PRO HA A 45 PHE HD% 1.0 . 4.13 918 918 A 41 PHE HD% A 57 CYS HA 1.0 . 4.63 919 919 A 45 PHE HD% A 43 VAL HA 1.0 . 5.50 920 920 A 45 PHE HD% A 49 ALA HA 1.0 . 4.83 921 921 A 18 GLU HA A 17 TYR HD% 1.0 . 4.89 922 922 A 19 THR HA A 17 TYR HD% 1.0 . 5.12 923 923 A 45 PHE HE% A 52 PRO HDy 1.0 . 3.76 924 924 A 45 PHE HE% A 51 ILE HA 1.0 . 4.05 925 925 A 45 PHE HE% A 52 PRO HDx 1.0 . 3.76 926 926 A 45 PHE HD% A 51 ILE HA 1.0 . 4.09 927 927 A 41 PHE HE% A 59 ASN HBy 1.0 . 3.84 928 928 A 41 PHE HD% A 57 CYS HBy 1.0 . 4.06 929 929 A 52 PRO HGx A 55 TRP HZ3 1.0 . 3.76 930 930 A 52 PRO HGy A 55 TRP HZ3 1.0 . 4.03 931 931 A 45 PHE HE% A 52 PRO HGy 1.0 . 4.28 932 932 A 39 GLU HBy A 41 PHE HE% 1.0 . 3.86 933 933 A 39 GLU HBx A 41 PHE HE% 1.0 . 3.66 934 934 A 45 PHE HE% A 43 VAL HB 1.0 . 3.25 935 935 A 45 PHE HD% A 43 VAL HB 1.0 . 3.90 936 936 A 45 PHE HE% A 49 ALA HB% 1.0 . 3.81 937 937 A 45 PHE HD% A 49 ALA HB% 1.0 . 2.98 938 938 A 41 PHE HD% A 35 THR HG2% 1.0 . 2.62 939 939 A 35 THR HG2% A 41 PHE HE% 1.0 . 4.01 940 940 A 31 ALA HB% A 45 PHE HD% 1.0 . 2.96 941 941 A 31 ALA HB% A 45 PHE HE% 1.0 . 2.90 942 942 A 45 PHE HD% A 51 ILE HG1x 1.0 . 4.92 943 943 A 45 PHE HD% A 51 ILE HG2% 1.0 . 3.78 944 944 A 51 ILE HD1% A 45 PHE HD% 1.0 . 3.27 945 945 A 51 ILE HD1% A 45 PHE HE% 1.0 . 3.88 946 946 A 45 PHE HE% A 51 ILE HG2% 1.0 . 3.40 947 947 A 43 VAL HGx% A 55 TRP HZ2 1.0 . 3.91 948 948 A 43 VAL HGx% A 55 TRP HH2 1.0 . 5.37 949 949 A 45 PHE HD% A 43 VAL HGx% 1.0 . 3.65 950 950 A 45 PHE HE% A 43 VAL HGx% 1.0 . 3.28 951 951 A 55 TRP HE3 A 55 TRP HBy 1.0 . 3.41 952 952 A 52 PRO HGy A 55 TRP HE3 1.0 . 3.54 953 953 A 55 TRP HE3 A 52 PRO HGx 1.0 . 3.36 954 954 A 55 TRP HE3 A 52 PRO HDx 1.0 . 4.43 955 955 A 55 TRP HE3 A 52 PRO HDy 1.0 . 4.43 956 956 A 55 TRP HE3 A 45 PHE HZ 1.0 . 3.77 957 957 A 45 PHE HE% A 55 TRP HE3 1.0 . 4.00 958 958 A 34 ARG HA A 40 GLU HGy 1.0 . 3.91 959 959 A 34 ARG HA A 34 ARG HDx 1.0 . 5.17 960 960 A 34 ARG HA A 34 ARG HDy 1.0 . 5.17 961 961 A 34 ARG HA A 40 GLU HGx 1.0 . 3.91 962 962 A 34 ARG HGy A 34 ARG HA 1.0 . 3.46 963 963 A 66 ILE HD1% A 34 ARG HA 1.0 . 3.99 964 964 A 33 TYR HE% A 54 THR HA 1.0 . 3.32 965 965 A 33 TYR HD% A 54 THR HA 1.0 . 3.31 966 966 A 64 THR HA A 54 THR HA 1.0 . 2.79 967 967 A 54 THR HB A 54 THR HA 1.0 . 2.67 968 968 A 64 THR HG2% A 54 THR HA 1.0 . 3.72 969 969 A 54 THR HG2% A 54 THR HA 1.0 . 2.72 970 970 A 40 GLU HA A 34 ARG HA 1.0 . 2.90 971 971 A 40 GLU HA A 40 GLU HGy 1.0 . 3.58 972 972 A 40 GLU HA A 40 GLU HGx 1.0 . 3.58 973 973 A 40 GLU HA A 40 GLU HBy 1.0 . 2.90 974 974 A 40 GLU HA A 34 ARG HGy 1.0 . 4.00 975 975 A 42 GLU HA A 32 ARG HA 1.0 . 2.89 976 976 A 32 ARG HA A 32 ARG HDx 1.0 . 5.41 977 977 A 32 ARG HA A 32 ARG HDy 1.0 . 5.41 978 978 A 32 ARG HA A 42 GLU HBx 1.0 . 4.17 979 979 A 32 ARG HA A 32 ARG HGx 1.0 . 3.24 980 980 A 32 ARG HA A 32 ARG HGy 1.0 . 3.50 981 981 A 66 ILE HD1% A 32 ARG HA 1.0 . 3.82 982 982 A 44 PRO HA A 30 ILE HA 1.0 . 2.90 983 983 A 44 PRO HA A 30 ILE HG1x 1.0 . 4.89 984 984 A 44 PRO HA A 30 ILE HG2% 1.0 . 3.65 985 985 A 30 ILE HD1% A 44 PRO HA 1.0 . 3.84 986 986 A 42 GLU HA A 42 GLU HGx 1.0 . 3.53 987 987 A 42 GLU HA A 42 GLU HGy 1.0 . 3.62 988 988 A 42 GLU HA A 32 ARG HGx 1.0 . 3.73 989 989 A 42 GLU HA A 32 ARG HGy 1.0 . 4.01 990 990 A 30 ILE HG2% A 42 GLU HA 1.0 . 3.88 991 991 A 33 TYR HE% A 64 THR HA 1.0 . 4.27 992 992 A 33 TYR HE% A 33 TYR HA 1.0 . 4.79 993 993 A 35 THR HB A 35 THR HA 1.0 . 2.79 994 994 A 63 GLY HAy A 35 THR HA 1.0 . 2.95 995 995 A 54 THR HG2% A 64 THR HA 1.0 . 2.97 996 996 A 35 THR HG2% A 35 THR HA 1.0 . 2.61 997 997 A 61 MET HBx A 35 THR HA 1.0 . 3.93 998 998 A 54 THR HB A 64 THR HA 1.0 . 3.07 999 999 A 65 LEU HA A 33 TYR HA 1.0 . 3.15 1000 1000 A 66 ILE HD1% A 33 TYR HA 1.0 . 4.01 1001 1001 A 35 THR HB A 61 MET HBx 1.0 . 3.16 1002 1002 A 35 THR HB A 39 GLU HGx 1.0 . 4.04 1003 1003 A 35 THR HB A 61 MET HBy 1.0 . 3.44 1004 1004 A 55 TRP HE3 A 51 ILE HA 1.0 . 5.50 1005 1005 A 52 PRO HBy A 55 TRP HE3 1.0 . 3.99 1006 1006 A 51 ILE HG2% A 55 TRP HE3 1.0 . 5.50 1007 1007 A 43 VAL HGx% A 55 TRP HE3 1.0 . 4.98 1008 1008 A 19 THR H A 17 TYR HD% 1.0 . 5.00 1009 1009 A 33 TYR HE% A 55 TRP HE3 1.0 . 5.08 1010 1010 A 41 PHE HD% A 59 ASN HA 1.0 . 5.50 1011 1011 A 55 TRP HZ3 A 52 PRO HDy 1.0 . 4.92 1012 1012 A 55 TRP HZ3 A 52 PRO HDx 1.0 . 4.92 1013 1013 A 41 PHE HD% A 59 ASN HBx 1.0 . 4.72 1014 1014 A 52 PRO HBy A 55 TRP HZ3 1.0 . 5.24 1015 1015 A 41 PHE HD% A 57 CYS HBx 1.0 . 3.28 1016 1016 A 52 PRO HGx A 55 TRP HH2 1.0 . 5.18 1017 1017 A 41 PHE HE% A 57 CYS HBy 1.0 . 4.75 1018 1018 A 41 PHE HE% A 59 ASN HA 1.0 . 4.62 1019 1019 A 16 SER HA A 17 TYR HD% 1.0 . 4.57 1020 1020 A 45 PHE HD% A 30 ILE HG2% 1.0 . 5.50 1021 1021 A 30 ILE HD1% A 45 PHE HD% 1.0 . 5.50 1022 1022 A 45 PHE HE% A 43 VAL HGy% 1.0 . 4.01 1023 1023 A 29 GLN HBx A 45 PHE HD% 1.0 . 4.33 1024 1024 A 45 PHE HD% A 52 PRO HDx 1.0 . 4.56 1025 1025 A 45 PHE HE% A 43 VAL HA 1.0 . 5.27 1026 1026 A 45 PHE HE% A 55 TRP HBy 1.0 . 4.65 1027 1027 A 16 SER HA A 17 TYR HE% 1.0 . 5.50 1028 1028 A 17 TYR HE% A 15 VAL HGx% 1.0 . 5.41 1029 1029 A 33 TYR HD% A 41 PHE HBy 1.0 . 5.17 1030 1030 A 33 TYR HD% A 54 THR HB 1.0 . 4.42 1031 1031 A 33 TYR HD% A 63 GLY HAy 1.0 . 4.79 1032 1032 A 51 ILE HG2% A 33 TYR HD% 1.0 . 5.06 1033 1033 A 45 PHE HZ A 55 TRP HH2 1.0 . 4.89 1034 1034 A 45 PHE HD% A 33 TYR HE% 1.0 . 3.99 1035 1035 A 55 TRP HD1 A 45 PHE HZ 1.0 . 4.79 1036 1036 A 33 TYR HE% A 32 ARG HA 1.0 . 4.79 1037 1037 A 31 ALA HA A 33 TYR HE% 1.0 . 5.20 1038 1038 A 33 TYR HE% A 55 TRP HA 1.0 . 4.63 1039 1039 A 33 TYR HE% A 54 THR HB 1.0 . 4.72 1040 1040 A 33 TYR HE% A 53 GLY HAx 1.0 . 5.50 1041 1041 A 33 TYR HE% A 53 GLY HAy 1.0 . 5.20 1042 1042 A 52 PRO HGy A 45 PHE HZ 1.0 . 4.40 1043 1043 A 55 TRP HBy A 45 PHE HZ 1.0 . 4.69 1044 1044 A 33 TYR HE% A 55 TRP HBx 1.0 . 4.21 1045 1045 A 33 TYR HE% A 54 THR HG2% 1.0 . 4.24 1046 1046 A 66 ILE HG2% A 34 ARG HA 1.0 . 4.83 1047 1047 A 66 ILE HG1x A 34 ARG HA 1.0 . 5.49 1048 1048 A 35 THR HG2% A 34 ARG HA 1.0 . 4.60 1049 1049 A 55 TRP HA A 54 THR HA 1.0 . 4.79 1050 1050 A 53 GLY HAx A 54 THR HA 1.0 . 4.72 1051 1051 A 65 LEU HA A 54 THR HA 1.0 . 4.70 1052 1052 A 54 THR HA A 55 TRP HBy 1.0 . 4.39 1053 1053 A 54 THR HA A 65 LEU HBx 1.0 . 4.47 1054 1054 A 65 LEU HBy A 54 THR HA 1.0 . 4.72 1055 1055 A 51 ILE HG2% A 54 THR HA 1.0 . 5.16 1056 1056 A 66 ILE HD1% A 40 GLU HA 1.0 . 4.36 1057 1057 A 40 GLU HA A 35 THR HG2% 1.0 . 4.80 1058 1058 A 40 GLU HA A 34 ARG HBy 1.0 . 4.20 1059 1059 A 32 ARG HA A 42 GLU HGx 1.0 . 4.44 1060 1060 A 32 ARG HA A 43 VAL HGy% 1.0 . 4.49 1061 1061 A 44 PRO HA A 43 VAL HA 1.0 . 4.69 1062 1062 A 45 PHE HBy A 44 PRO HA 1.0 . 4.79 1063 1063 A 44 PRO HA A 30 ILE HG1y 1.0 . 4.89 1064 1064 A 44 PRO HA A 31 ALA HB% 1.0 . 5.20 1065 1065 A 44 PRO HA A 43 VAL HGx% 1.0 . 4.61 1066 1066 A 42 GLU HA A 43 VAL HGy% 1.0 . 3.99 1067 1067 A 42 GLU HA A 32 ARG HDx 1.0 . 5.50 1068 1068 A 42 GLU HA A 32 ARG HDy 1.0 . 5.50 1069 1069 A 36 ASP HA A 35 THR HG1 1.0 . 5.49 1070 1070 A 42 GLU HA A 43 VAL HA 1.0 . 5.50 1071 1071 A 34 ARG HA A 35 THR HA 1.0 . 4.72 1072 1072 A 36 ASP HA A 35 THR HA 1.0 . 4.43 1073 1073 A 65 LEU HA A 64 THR HA 1.0 . 4.55 1074 1074 A 35 THR HA A 57 CYS HBy 1.0 . 4.60 1075 1075 A 33 TYR HBy A 64 THR HA 1.0 . 5.50 1076 1076 A 33 TYR HBx A 64 THR HA 1.0 . 4.36 1077 1077 A 35 THR HA A 61 MET HGx 1.0 . 4.99 1078 1078 A 35 THR HA A 61 MET HGy 1.0 . 4.99 1079 1079 A 34 ARG HBx A 35 THR HA 1.0 . 5.50 1080 1080 A 64 THR HA A 65 LEU HBx 1.0 . 5.50 1081 1081 A 65 LEU HBy A 64 THR HA 1.0 . 4.78 1082 1082 A 64 THR HG2% A 64 THR HA 1.0 . 2.80 1083 1083 A 66 ILE HD1% A 64 THR HA 1.0 . 5.50 1084 1084 A 66 ILE HG2% A 33 TYR HA 1.0 . 4.51 1085 1085 A 66 ILE HG1x A 33 TYR HA 1.0 . 4.96 1086 1086 A 33 TYR HA A 65 LEU HG 1.0 . 5.50 1087 1087 A 32 ARG HBy A 33 TYR HA 1.0 . 4.32 1088 1088 A 33 TYR HA A 66 ILE HG1y 1.0 . 4.84 1089 1089 A 63 GLY HAx A 33 TYR HA 1.0 . 4.58 1090 1090 A 64 THR HB A 33 TYR HA 1.0 . 5.16 1091 1091 A 33 TYR HA A 66 ILE HA 1.0 . 5.50 1092 1092 A 63 GLY HAy A 35 THR HG2% 1.0 . 3.45 1093 1093 A 33 TYR HBx A 63 GLY HAy 1.0 . 4.05 1094 1094 A 33 TYR HBy A 63 GLY HAy 1.0 . 4.64 1095 1095 A 35 THR HB A 36 ASP HBx 1.0 . 5.50 1096 1096 A 35 THR HB A 36 ASP HBy 1.0 . 5.50 1097 1097 A 35 THR HB A 57 CYS HBy 1.0 . 5.25 1098 1098 A 63 GLY HAy A 57 CYS HBy 1.0 . 5.50 1099 1099 A 35 THR HB A 61 MET HA 1.0 . 5.12 1100 1100 A 41 PHE HA A 41 PHE HE% 1.0 . 5.50 1101 1101 A 41 PHE HA A 43 VAL HGy% 1.0 . 5.44 1102 1102 A 17 TYR HA A 17 TYR HD% 1.0 . 3.95 1103 1103 A 33 TYR HD% A 64 THR HA 1.0 . 3.25 1104 1104 A 33 TYR HD% A 33 TYR HA 1.0 . 3.36 1105 1105 A 42 GLU HA A 33 TYR HD% 1.0 . 4.72 1106 1106 A 32 ARG HA A 33 TYR HA 1.0 . 4.69 1107 1107 A 51 ILE HD1% A 33 TYR HE% 1.0 . 4.71 1108 1108 A 4 ASP H A 4 ASP HBx 1.0 . 3.68 1109 1108 A 4 ASP H A 4 ASP HBy 1.0 . 3.68 1110 1109 A 5 ARG H A 4 ASP HBx 1.0 . 4.24 1111 1109 A 5 ARG H A 4 ASP HBy 1.0 . 4.24 1112 1110 A 5 ARG H A 5 ARG HBx 1.0 . 3.53 1113 1110 A 5 ARG H A 5 ARG HBy 1.0 . 3.53 1114 1111 A 6 VAL H A 5 ARG HBx 1.0 . 3.77 1115 1111 A 6 VAL H A 5 ARG HBy 1.0 . 3.77 1116 1112 A 6 VAL H A 6 VAL HGx% 1.0 . 3.39 1117 1112 A 6 VAL H A 6 VAL HGy% 1.0 . 3.39 1118 1113 A 7 LEU H A 6 VAL HGx% 1.0 . 4.43 1119 1113 A 7 LEU H A 6 VAL HGy% 1.0 . 4.43 1120 1114 A 7 LEU H A 7 LEU HDx% 1.0 . 4.84 1121 1114 A 7 LEU H A 7 LEU HDy% 1.0 . 4.84 1122 1115 A 7 LEU HA A 7 LEU HDx% 1.0 . 3.95 1123 1115 A 7 LEU HDy% A 7 LEU HA 1.0 . 3.95 1124 1116 A 8 ARG H A 7 LEU HBx 1.0 . 4.23 1125 1116 A 8 ARG H A 7 LEU HBy 1.0 . 4.23 1126 1117 A 8 ARG HA A 8 ARG HDx 1.0 . 4.71 1127 1117 A 8 ARG HA A 8 ARG HDy 1.0 . 4.71 1128 1118 A 12 LEU H A 11 ARG HBy 1.0 . 4.22 1129 1118 A 12 LEU H A 11 ARG HBx 1.0 . 4.22 1130 1119 A 12 LEU H A 12 LEU HBy 1.0 . 3.29 1131 1119 A 12 LEU H A 12 LEU HBx 1.0 . 3.29 1132 1120 A 12 LEU H A 12 LEU HD11 1.0 . 5.14 1133 1120 A 12 LEU H A 12 LEU HDy% 1.0 . 5.14 1134 1121 A 15 VAL H A 15 VAL HGx% 1.0 . 3.36 1135 1121 A 15 VAL H A 15 VAL HGy% 1.0 . 3.36 1136 1122 A 17 TYR HD% A 15 VAL HGx% 1.0 . 4.75 1137 1122 A 17 TYR HD% A 15 VAL HGy% 1.0 . 4.75 1138 1123 A 17 TYR HE% A 15 VAL HGx% 1.0 . 4.33 1139 1123 A 17 TYR HE% A 15 VAL HGy% 1.0 . 4.33 1140 1124 A 17 TYR H A 17 TYR HBx 1.0 . 3.63 1141 1124 A 17 TYR H A 17 TYR HBy 1.0 . 3.63 1142 1125 A 18 GLU H A 17 TYR HBx 1.0 . 3.85 1143 1125 A 18 GLU H A 17 TYR HBy 1.0 . 3.85 1144 1126 A 18 GLU H A 18 GLU HBx 1.0 . 3.39 1145 1126 A 18 GLU H A 18 GLU HBy 1.0 . 3.39 1146 1127 A 18 GLU H A 18 GLU HGx 1.0 . 4.44 1147 1127 A 18 GLU H A 18 GLU HGy 1.0 . 4.44 1148 1128 A 19 THR H A 18 GLU HBx 1.0 . 4.15 1149 1128 A 19 THR H A 18 GLU HBy 1.0 . 4.15 1150 1129 A 20 ASP H A 20 ASP HBx 1.0 . 3.59 1151 1129 A 20 ASP H A 20 ASP HBy 1.0 . 3.59 1152 1130 A 21 ARG H A 21 ARG HBy 1.0 . 3.45 1153 1130 A 21 ARG H A 21 ARG HBx 1.0 . 3.45 1154 1131 A 21 ARG H A 21 ARG HGy 1.0 . 4.33 1155 1131 A 21 ARG H A 21 ARG HGx 1.0 . 4.33 1156 1132 A 21 ARG HBx A 21 ARG HGy 1.0 . 2.29 1157 1132 A 21 ARG HBy A 21 ARG HGy 1.0 . 2.29 1158 1132 A 21 ARG HGx A 21 ARG HBy 1.0 . 2.29 1159 1132 A 21 ARG HBx A 21 ARG HGx 1.0 . 2.29 1160 1133 A 22 ASN HBx A 22 ASN HD2x 1.0 . 3.19 1161 1133 A 22 ASN HBy A 22 ASN HD2x 1.0 . 3.19 1162 1133 A 22 ASN HD2y A 22 ASN HBy 1.0 . 3.19 1163 1133 A 22 ASN HBx A 22 ASN HD2y 1.0 . 3.19 1164 1134 A 24 ASP HA A 25 LEU HBx 1.0 . 5.32 1165 1134 A 24 ASP HA A 25 LEU HBy 1.0 . 5.32 1166 1135 A 26 ALA H A 24 ASP HBy 1.0 . 5.34 1167 1135 A 26 ALA H A 24 ASP HBx 1.0 . 5.34 1168 1136 A 25 LEU H A 25 LEU HBx 1.0 . 2.71 1169 1136 A 25 LEU H A 25 LEU HBy 1.0 . 2.71 1170 1137 A 25 LEU HA A 25 LEU HDx% 1.0 . 3.61 1171 1137 A 25 LEU HA A 25 LEU HDy% 1.0 . 3.61 1172 1138 A 26 ALA H A 25 LEU HBx 1.0 . 3.79 1173 1138 A 26 ALA H A 25 LEU HBy 1.0 . 3.79 1174 1139 A 26 ALA H A 25 LEU HDx% 1.0 . 4.55 1175 1139 A 26 ALA H A 25 LEU HDy% 1.0 . 4.55 1176 1140 A 26 ALA H A 27 PRO HDy 1.0 . 4.52 1177 1140 A 26 ALA H A 27 PRO HDx 1.0 . 4.52 1178 1141 A 26 ALA HA A 27 PRO HGx 1.0 . 4.78 1179 1141 A 26 ALA HA A 27 PRO HGy 1.0 . 4.78 1180 1142 A 26 ALA HA A 27 PRO HDy 1.0 . 2.97 1181 1142 A 26 ALA HA A 27 PRO HDx 1.0 . 2.97 1182 1143 A 26 ALA HB% A 27 PRO HDy 1.0 . 3.79 1183 1143 A 26 ALA HB% A 27 PRO HDx 1.0 . 3.79 1184 1144 A 28 ARG H A 27 PRO HDy 1.0 . 4.70 1185 1144 A 28 ARG H A 27 PRO HDx 1.0 . 4.70 1186 1145 A 46 ALA HA A 28 ARG HDx 1.0 . 5.34 1187 1145 A 46 ALA HA A 28 ARG HDy 1.0 . 5.34 1188 1146 A 29 GLN HE2y A 47 ASP HBy 1.0 . 5.34 1189 1146 A 29 GLN HE2y A 47 ASP HBx 1.0 . 5.34 1190 1147 A 29 GLN HE2x A 47 ASP HBy 1.0 . 5.17 1191 1147 A 29 GLN HE2x A 47 ASP HBx 1.0 . 5.17 1192 1148 A 30 ILE H A 30 ILE HG1x 1.0 . 3.27 1193 1148 A 30 ILE H A 30 ILE HG1y 1.0 . 3.27 1194 1149 A 30 ILE HA A 44 PRO HBy 1.0 . 4.34 1195 1149 A 30 ILE HA A 44 PRO HBx 1.0 . 4.34 1196 1150 A 30 ILE HG2% A 32 ARG HDx 1.0 . 4.72 1197 1150 A 30 ILE HG2% A 32 ARG HDy 1.0 . 4.72 1198 1151 A 30 ILE HG2% A 44 PRO HBy 1.0 . 4.57 1199 1151 A 30 ILE HG2% A 44 PRO HBx 1.0 . 4.57 1200 1152 A 31 ALA H A 30 ILE HG1x 1.0 . 5.34 1201 1152 A 31 ALA H A 30 ILE HG1y 1.0 . 5.34 1202 1153 A 44 PRO HA A 30 ILE HG1x 1.0 . 4.18 1203 1153 A 44 PRO HA A 30 ILE HG1y 1.0 . 4.18 1204 1154 A 45 PHE H A 30 ILE HG1x 1.0 . 5.10 1205 1154 A 45 PHE H A 30 ILE HG1y 1.0 . 5.10 1206 1155 A 30 ILE HD1% A 44 PRO HBy 1.0 . 4.14 1207 1155 A 30 ILE HD1% A 44 PRO HBx 1.0 . 4.14 1208 1156 A 31 ALA HA A 65 LEU HDx% 1.0 . 4.38 1209 1156 A 31 ALA HA A 65 LEU HDy% 1.0 . 4.38 1210 1157 A 31 ALA HB% A 52 PRO HDy 1.0 . 5.35 1211 1157 A 31 ALA HB% A 52 PRO HDx 1.0 . 5.35 1212 1158 A 31 ALA HB% A 65 LEU HDx% 1.0 . 2.94 1213 1158 A 31 ALA HB% A 65 LEU HDy% 1.0 . 2.94 1214 1159 A 32 ARG H A 65 LEU HDx% 1.0 . 3.29 1215 1159 A 32 ARG H A 65 LEU HDy% 1.0 . 3.29 1216 1160 A 32 ARG HA A 32 ARG HDx 1.0 . 4.62 1217 1160 A 32 ARG HA A 32 ARG HDy 1.0 . 4.62 1218 1161 A 32 ARG HBx A 32 ARG HDx 1.0 . 3.13 1219 1161 A 32 ARG HBx A 32 ARG HDy 1.0 . 3.13 1220 1162 A 32 ARG HBy A 32 ARG HDx 1.0 . 3.41 1221 1162 A 32 ARG HBy A 32 ARG HDy 1.0 . 3.41 1222 1163 A 42 GLU HGy A 32 ARG HDx 1.0 . 4.96 1223 1163 A 42 GLU HGy A 32 ARG HDy 1.0 . 4.96 1224 1164 A 66 ILE HD1% A 32 ARG HDx 1.0 . 4.10 1225 1164 A 66 ILE HD1% A 32 ARG HDy 1.0 . 4.10 1226 1165 A 33 TYR HA A 65 LEU HDx% 1.0 . 4.14 1227 1165 A 33 TYR HA A 65 LEU HDy% 1.0 . 4.14 1228 1166 A 33 TYR HD% A 65 LEU HDx% 1.0 . 4.62 1229 1166 A 33 TYR HD% A 65 LEU HDy% 1.0 . 4.62 1230 1167 A 33 TYR HE% A 52 PRO HDy 1.0 . 5.35 1231 1167 A 33 TYR HE% A 52 PRO HDx 1.0 . 5.35 1232 1168 A 33 TYR HE% A 65 LEU HDx% 1.0 . 3.89 1233 1168 A 33 TYR HE% A 65 LEU HDy% 1.0 . 3.89 1234 1169 A 34 ARG H A 34 ARG HDx 1.0 . 4.92 1235 1169 A 34 ARG H A 34 ARG HDy 1.0 . 4.92 1236 1170 A 34 ARG H A 40 GLU HGy 1.0 . 4.59 1237 1170 A 34 ARG H A 40 GLU HGx 1.0 . 4.59 1238 1171 A 34 ARG H A 65 LEU HDx% 1.0 . 5.44 1239 1171 A 34 ARG H A 65 LEU HDy% 1.0 . 5.44 1240 1172 A 34 ARG HA A 34 ARG HDx 1.0 . 4.38 1241 1172 A 34 ARG HA A 34 ARG HDy 1.0 . 4.38 1242 1173 A 34 ARG HA A 40 GLU HGy 1.0 . 3.10 1243 1173 A 34 ARG HA A 40 GLU HGx 1.0 . 3.10 1244 1174 A 34 ARG HBy A 40 GLU HGy 1.0 . 3.65 1245 1174 A 34 ARG HBy A 40 GLU HGx 1.0 . 3.65 1246 1175 A 34 ARG HBx A 40 GLU HGy 1.0 . 3.99 1247 1175 A 34 ARG HBx A 40 GLU HGx 1.0 . 3.99 1248 1176 A 34 ARG HGy A 40 GLU HGy 1.0 . 3.48 1249 1176 A 34 ARG HGy A 40 GLU HGx 1.0 . 3.48 1250 1177 A 38 GLY HAy A 34 ARG HDx 1.0 . 4.88 1251 1177 A 38 GLY HAy A 34 ARG HDy 1.0 . 4.88 1252 1178 A 38 GLY HAx A 34 ARG HDx 1.0 . 5.34 1253 1178 A 38 GLY HAx A 34 ARG HDy 1.0 . 5.34 1254 1179 A 40 GLU HA A 34 ARG HDx 1.0 . 5.34 1255 1179 A 40 GLU HA A 34 ARG HDy 1.0 . 5.34 1256 1180 A 34 ARG HDy A 40 GLU HGy 1.0 . 3.52 1257 1180 A 34 ARG HDx A 40 GLU HGy 1.0 . 3.52 1258 1180 A 40 GLU HGx A 34 ARG HDx 1.0 . 3.52 1259 1180 A 34 ARG HDy A 40 GLU HGx 1.0 . 3.52 1260 1181 A 66 ILE HG2% A 34 ARG HDx 1.0 . 5.10 1261 1181 A 66 ILE HG2% A 34 ARG HDy 1.0 . 5.10 1262 1182 A 35 THR H A 40 GLU HGy 1.0 . 3.84 1263 1182 A 35 THR H A 40 GLU HGx 1.0 . 3.84 1264 1183 A 35 THR HA A 36 ASP HBx 1.0 . 5.01 1265 1183 A 35 THR HA A 36 ASP HBy 1.0 . 5.01 1266 1184 A 35 THR HB A 36 ASP HBx 1.0 . 4.66 1267 1184 A 35 THR HB A 36 ASP HBy 1.0 . 4.66 1268 1185 A 35 THR HB A 61 MET HGx 1.0 . 4.53 1269 1185 A 35 THR HB A 61 MET HGy 1.0 . 4.53 1270 1186 A 35 THR HG2% A 40 GLU HGy 1.0 . 5.34 1271 1186 A 35 THR HG2% A 40 GLU HGx 1.0 . 5.34 1272 1187 A 35 THR HG2% A 61 MET HGx 1.0 . 4.68 1273 1187 A 35 THR HG2% A 61 MET HGy 1.0 . 4.68 1274 1188 A 36 ASP H A 36 ASP HBx 1.0 . 2.87 1275 1188 A 36 ASP H A 36 ASP HBy 1.0 . 2.87 1276 1189 A 37 ASN H A 37 ASN HBy 1.0 . 3.00 1277 1189 A 37 ASN H A 37 ASN HBx 1.0 . 3.00 1278 1190 A 38 GLY H A 37 ASN HBy 1.0 . 3.92 1279 1190 A 38 GLY H A 37 ASN HBx 1.0 . 3.92 1280 1191 A 38 GLY HAx A 37 ASN HBy 1.0 . 5.34 1281 1191 A 38 GLY HAx A 37 ASN HBx 1.0 . 5.34 1282 1192 A 39 GLU H A 37 ASN HBy 1.0 . 4.16 1283 1192 A 39 GLU H A 37 ASN HBx 1.0 . 4.16 1284 1193 A 39 GLU HGx A 37 ASN HBy 1.0 . 3.96 1285 1193 A 39 GLU HGx A 37 ASN HBx 1.0 . 3.96 1286 1194 A 59 ASN HD2x A 37 ASN HBy 1.0 . 4.80 1287 1194 A 59 ASN HD2x A 37 ASN HBx 1.0 . 4.80 1288 1195 A 38 GLY HAy A 40 GLU HGy 1.0 . 5.34 1289 1195 A 38 GLY HAy A 40 GLU HGx 1.0 . 5.34 1290 1196 A 40 GLU H A 40 GLU HGy 1.0 . 3.51 1291 1196 A 40 GLU H A 40 GLU HGx 1.0 . 3.51 1292 1197 A 40 GLU HA A 40 GLU HGy 1.0 . 3.04 1293 1197 A 40 GLU HA A 40 GLU HGx 1.0 . 3.04 1294 1198 A 41 PHE H A 40 GLU HGy 1.0 . 4.47 1295 1198 A 41 PHE H A 40 GLU HGx 1.0 . 4.47 1296 1199 A 66 ILE HD1% A 40 GLU HGy 1.0 . 4.07 1297 1199 A 66 ILE HD1% A 40 GLU HGx 1.0 . 4.07 1298 1200 A 41 PHE HD% A 58 ARG HBx 1.0 . 3.43 1299 1200 A 41 PHE HD% A 58 ARG HBy 1.0 . 3.43 1300 1201 A 41 PHE HD% A 58 ARG HGy 1.0 . 3.16 1301 1201 A 41 PHE HD% A 58 ARG HGx 1.0 . 3.16 1302 1202 A 41 PHE HD% A 58 ARG HDx 1.0 . 3.50 1303 1202 A 41 PHE HD% A 58 ARG HDy 1.0 . 3.50 1304 1203 A 41 PHE HD% A 59 ASN HBy 1.0 . 3.92 1305 1203 A 41 PHE HD% A 59 ASN HBx 1.0 . 3.92 1306 1204 A 41 PHE HE% A 58 ARG HGy 1.0 . 4.40 1307 1204 A 41 PHE HE% A 58 ARG HGx 1.0 . 4.40 1308 1205 A 41 PHE HE% A 59 ASN HBy 1.0 . 3.27 1309 1205 A 41 PHE HE% A 59 ASN HBx 1.0 . 3.27 1310 1206 A 43 VAL HA A 44 PRO HGx 1.0 . 4.45 1311 1206 A 43 VAL HA A 44 PRO HGy 1.0 . 4.45 1312 1207 A 43 VAL HGx% A 44 PRO HGx 1.0 . 5.35 1313 1207 A 43 VAL HGx% A 44 PRO HGy 1.0 . 5.35 1314 1208 A 45 PHE H A 44 PRO HBy 1.0 . 3.69 1315 1208 A 45 PHE H A 44 PRO HBx 1.0 . 3.69 1316 1209 A 45 PHE HZ A 52 PRO HDy 1.0 . 3.48 1317 1209 A 45 PHE HZ A 52 PRO HDx 1.0 . 3.48 1318 1210 A 47 ASP H A 47 ASP HBy 1.0 . 2.96 1319 1210 A 47 ASP H A 47 ASP HBx 1.0 . 2.96 1320 1211 A 48 ASP H A 47 ASP HBy 1.0 . 3.34 1321 1211 A 48 ASP H A 47 ASP HBx 1.0 . 3.34 1322 1212 A 48 ASP H A 48 ASP HBy 1.0 . 2.86 1323 1212 A 48 ASP H A 48 ASP HBx 1.0 . 2.86 1324 1213 A 49 ALA HB% A 50 GLU HBx 1.0 . 4.92 1325 1213 A 49 ALA HB% A 50 GLU HBy 1.0 . 4.92 1326 1214 A 49 ALA HB% A 52 PRO HDy 1.0 . 5.17 1327 1214 A 49 ALA HB% A 52 PRO HDx 1.0 . 5.17 1328 1215 A 50 GLU H A 50 GLU HBx 1.0 . 3.06 1329 1215 A 50 GLU H A 50 GLU HBy 1.0 . 3.06 1330 1216 A 50 GLU H A 50 GLU HGy 1.0 . 3.35 1331 1216 A 50 GLU H A 50 GLU HGx 1.0 . 3.35 1332 1217 A 50 GLU HBy A 50 GLU HGy 1.0 . 2.35 1333 1217 A 50 GLU HBx A 50 GLU HGy 1.0 . 2.35 1334 1217 A 50 GLU HGx A 50 GLU HBx 1.0 . 2.35 1335 1217 A 50 GLU HBy A 50 GLU HGx 1.0 . 2.35 1336 1218 A 51 ILE H A 50 GLU HBx 1.0 . 3.32 1337 1218 A 51 ILE H A 50 GLU HBy 1.0 . 3.32 1338 1219 A 51 ILE H A 50 GLU HGy 1.0 . 4.06 1339 1219 A 51 ILE H A 50 GLU HGx 1.0 . 4.06 1340 1220 A 51 ILE H A 52 PRO HDy 1.0 . 3.99 1341 1220 A 51 ILE H A 52 PRO HDx 1.0 . 3.99 1342 1221 A 51 ILE HB A 52 PRO HDy 1.0 . 5.15 1343 1221 A 51 ILE HB A 52 PRO HDx 1.0 . 5.15 1344 1222 A 51 ILE HB A 65 LEU HDx% 1.0 . 4.49 1345 1222 A 51 ILE HB A 65 LEU HDy% 1.0 . 4.49 1346 1223 A 51 ILE HG2% A 52 PRO HDy 1.0 . 3.62 1347 1223 A 51 ILE HG2% A 52 PRO HDx 1.0 . 3.62 1348 1224 A 51 ILE HG2% A 65 LEU HDx% 1.0 . 3.00 1349 1224 A 51 ILE HG2% A 65 LEU HDy% 1.0 . 3.00 1350 1225 A 51 ILE HG1y A 52 PRO HDy 1.0 . 4.85 1351 1225 A 51 ILE HG1y A 52 PRO HDx 1.0 . 4.85 1352 1226 A 51 ILE HG1x A 65 LEU HDx% 1.0 . 4.82 1353 1226 A 51 ILE HG1x A 65 LEU HDy% 1.0 . 4.82 1354 1227 A 51 ILE HD1% A 52 PRO HDy 1.0 . 4.51 1355 1227 A 51 ILE HD1% A 52 PRO HDx 1.0 . 4.51 1356 1228 A 51 ILE HD1% A 65 LEU HDx% 1.0 . 4.04 1357 1228 A 51 ILE HD1% A 65 LEU HDy% 1.0 . 4.04 1358 1229 A 55 TRP HE3 A 52 PRO HDy 1.0 . 3.86 1359 1229 A 55 TRP HE3 A 52 PRO HDx 1.0 . 3.86 1360 1230 A 55 TRP HZ3 A 52 PRO HDy 1.0 . 4.24 1361 1230 A 55 TRP HZ3 A 52 PRO HDx 1.0 . 4.24 1362 1231 A 53 GLY H A 65 LEU HDx% 1.0 . 4.55 1363 1231 A 53 GLY H A 65 LEU HDy% 1.0 . 4.55 1364 1232 A 53 GLY HAy A 65 LEU HDx% 1.0 . 3.97 1365 1232 A 53 GLY HAy A 65 LEU HDy% 1.0 . 3.97 1366 1233 A 53 GLY HAx A 65 LEU HDx% 1.0 . 5.01 1367 1233 A 53 GLY HAx A 65 LEU HDy% 1.0 . 5.01 1368 1234 A 54 THR H A 65 LEU HDx% 1.0 . 5.44 1369 1234 A 54 THR H A 65 LEU HDy% 1.0 . 5.44 1370 1235 A 54 THR HA A 65 LEU HDx% 1.0 . 5.44 1371 1235 A 54 THR HA A 65 LEU HDy% 1.0 . 5.44 1372 1236 A 58 ARG HA A 58 ARG HGy 1.0 . 3.70 1373 1236 A 58 ARG HA A 58 ARG HGx 1.0 . 3.70 1374 1237 A 59 ASN H A 58 ARG HBx 1.0 . 4.40 1375 1237 A 59 ASN H A 58 ARG HBy 1.0 . 4.40 1376 1238 A 59 ASN H A 58 ARG HGy 1.0 . 4.78 1377 1238 A 59 ASN H A 58 ARG HGx 1.0 . 4.78 1378 1239 A 59 ASN H A 59 ASN HBy 1.0 . 3.63 1379 1239 A 59 ASN H A 59 ASN HBx 1.0 . 3.63 1380 1240 A 59 ASN HD2x A 59 ASN HBy 1.0 . 3.25 1381 1240 A 59 ASN HD2x A 59 ASN HBx 1.0 . 3.25 1382 1241 A 60 GLY H A 59 ASN HBy 1.0 . 3.84 1383 1241 A 60 GLY H A 59 ASN HBx 1.0 . 3.84 1384 1242 A 61 MET H A 59 ASN HBy 1.0 . 4.75 1385 1242 A 61 MET H A 59 ASN HBx 1.0 . 4.75 1386 1243 A 59 ASN HD2y A 61 MET HGx 1.0 . 4.60 1387 1243 A 59 ASN HD2y A 61 MET HGy 1.0 . 4.60 1388 1244 A 61 MET HA A 61 MET HGx 1.0 . 3.29 1389 1244 A 61 MET HA A 61 MET HGy 1.0 . 3.29 1390 1245 A 61 MET HBx A 61 MET HGx 1.0 . 2.61 1391 1245 A 61 MET HBx A 61 MET HGy 1.0 . 2.61 1392 1246 A 62 GLU H A 61 MET HGx 1.0 . 3.43 1393 1246 A 62 GLU H A 61 MET HGy 1.0 . 3.43 1394 1247 A 65 LEU HA A 65 LEU HDx% 1.0 . 3.07 1395 1247 A 65 LEU HA A 65 LEU HDy% 1.0 . 3.07 1396 1248 A 65 LEU HBx A 65 LEU HDx% 1.0 . 3.13 1397 1248 A 65 LEU HBx A 65 LEU HDy% 1.0 . 3.13 1398 1249 A 66 ILE H A 65 LEU HDx% 1.0 . 3.27 1399 1249 A 66 ILE H A 65 LEU HDy% 1.0 . 3.27 1400 1250 A 66 ILE HG2% A 65 LEU HDx% 1.0 . 4.91 1401 1250 A 66 ILE HG2% A 65 LEU HDy% 1.0 . 4.91 1402 1251 A 67 GLU H A 65 LEU HDx% 1.0 . 5.35 1403 1251 A 67 GLU H A 65 LEU HDy% 1.0 . 5.35 1404 1252 A 67 GLU H A 67 GLU HBx 1.0 . 2.92 1405 1252 A 67 GLU H A 67 GLU HBy 1.0 . 2.92 1406 1253 A 67 GLU H A 67 GLU HGx 1.0 . 4.28 1407 1253 A 67 GLU H A 67 GLU HGy 1.0 . 4.28 1408 1254 A 68 GLY H A 67 GLU HBx 1.0 . 3.78 1409 1254 A 68 GLY H A 67 GLU HBy 1.0 . 3.78 1410 1255 A 69 ASP H A 69 ASP HBy 1.0 . 3.15 1411 1255 A 69 ASP H A 69 ASP HBx 1.0 . 3.15 1412 1256 A 70 LEU H A 69 ASP HBy 1.0 . 4.11 1413 1256 A 70 LEU H A 69 ASP HBx 1.0 . 4.11 1414 1257 A 70 LEU H A 70 LEU HDx% 1.0 . 3.93 1415 1257 A 70 LEU H A 70 LEU HDy% 1.0 . 3.93 1416 1258 A 70 LEU H A 73 PRO HDy 1.0 . 5.06 1417 1258 A 70 LEU H A 73 PRO HDx 1.0 . 5.06 1418 1259 A 70 LEU HA A 73 PRO HGx 1.0 . 4.95 1419 1259 A 70 LEU HA A 73 PRO HGy 1.0 . 4.95 1420 1260 A 70 LEU HA A 73 PRO HDy 1.0 . 4.11 1421 1260 A 70 LEU HA A 73 PRO HDx 1.0 . 4.11 1422 1261 A 70 LEU HBx A 73 PRO HDy 1.0 . 4.23 1423 1261 A 73 PRO HDx A 70 LEU HBx 1.0 . 4.23 1424 1262 A 72 GLU H A 72 GLU HBx 1.0 . 2.97 1425 1262 A 72 GLU H A 72 GLU HBy 1.0 . 2.97 1426 1263 A 72 GLU H A 72 GLU HGx 1.0 . 3.30 1427 1263 A 72 GLU H A 72 GLU HGy 1.0 . 3.30 1428 1264 A 72 GLU H A 73 PRO HDy 1.0 . 3.57 1429 1264 A 72 GLU H A 73 PRO HDx 1.0 . 3.57 1430 1265 A 72 GLU HA A 73 PRO HDy 1.0 . 3.19 1431 1265 A 72 GLU HA A 73 PRO HDx 1.0 . 3.19 1432 1266 A 74 LYS H A 73 PRO HBy 1.0 . 3.95 1433 1266 A 74 LYS H A 73 PRO HBx 1.0 . 3.95 1434 1267 A 74 LYS H A 73 PRO HDy 1.0 . 4.96 1435 1267 A 74 LYS H A 73 PRO HDx 1.0 . 4.96 1436 1268 A 74 LYS H A 74 LYS HGy 1.0 . 4.66 1437 1268 A 74 LYS H A 74 LYS HGx 1.0 . 4.66 1438 1269 A 75 LYS H A 74 LYS HGy 1.0 . 4.55 1439 1269 A 74 LYS HGx A 75 LYS H 1.0 . 4.55 1440 1270 A 76 VAL H A 74 LYS HGy 1.0 . 5.06 1441 1270 A 76 VAL H A 74 LYS HGx 1.0 . 5.06 1442 1271 A 75 LYS H A 76 VAL HGx% 1.0 . 5.44 1443 1271 A 75 LYS H A 76 VAL HGy% 1.0 . 5.44 1444 1272 A 76 VAL H A 76 VAL HGx% 1.0 . 3.66 1445 1272 A 76 VAL H A 76 VAL HGy% 1.0 . 3.66 1446 1273 A 77 LYS H A 76 VAL HGx% 1.0 . 4.13 1447 1273 A 77 LYS H A 76 VAL HGy% 1.0 . 4.13 1448 1274 A 77 LYS H A 77 LYS HBy 1.0 . 3.52 1449 1274 A 77 LYS H A 77 LYS HBx 1.0 . 3.52 1450 1275 A 77 LYS H A 77 LYS HGy 1.0 . 4.64 1451 1275 A 77 LYS H A 77 LYS HGx 1.0 . 4.64 1452 1276 A 80 ARG H A 80 ARG HGy 1.0 . 4.78 1453 1276 A 80 ARG H A 80 ARG HGx 1.0 . 4.78 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 27 PRO C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -141.0 -49.0 PHI 2 2 A 28 ARG N A 28 ARG CA A 28 ARG C A 29 GLN N 1.0 101.0 173.0 PSI 3 3 A 28 ARG C A 29 GLN N A 29 GLN CA A 29 GLN C 1.0 -211.0 -71.0 PHI 4 4 A 29 GLN N A 29 GLN CA A 29 GLN C A 30 ILE N 1.0 102.0 186.0 PSI 5 5 A 29 GLN C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -141.0 -73.0 PHI 6 6 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 ALA N 1.0 101.0 145.0 PSI 7 7 A 30 ILE C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -161.0 -97.0 PHI 8 8 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 ARG N 1.0 126.0 170.0 PSI 9 9 A 31 ALA C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -170.0 -90.0 PHI 10 10 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 TYR N 1.0 87.0 191.0 PSI 11 11 A 32 ARG C A 33 TYR N A 33 TYR CA A 33 TYR C 1.0 -173.0 -97.0 PHI 12 12 A 33 TYR N A 33 TYR CA A 33 TYR C A 34 ARG N 1.0 115.0 183.0 PSI 13 13 A 33 TYR C A 34 ARG N A 34 ARG CA A 34 ARG C 1.0 -167.9 -104.2 PHI 14 14 A 34 ARG N A 34 ARG CA A 34 ARG C A 35 THR N 1.0 108.5 161.8 PSI 15 15 A 34 ARG C A 35 THR N A 35 THR CA A 35 THR C 1.0 -162.0 -34.0 PHI 16 16 A 35 THR N A 35 THR CA A 35 THR C A 36 ASP N 1.0 145.0 201.0 PSI 17 17 A 35 THR C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -83.0 -43.0 PHI 18 18 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 ASN N 1.0 -59.7 13.0 PSI 19 19 A 36 ASP C A 37 ASN N A 37 ASN CA A 37 ASN C 1.0 -120.8 -60.0 PHI 20 20 A 37 ASN N A 37 ASN CA A 37 ASN C A 38 GLY N 1.0 -18.8 21.2 PSI 21 21 A 37 ASN C A 38 GLY N A 38 GLY CA A 38 GLY C 1.0 69.7 109.7 PHI 22 22 A 38 GLY N A 38 GLY CA A 38 GLY C A 39 GLU N 1.0 -25.1 14.9 PSI 23 23 A 38 GLY C A 39 GLU N A 39 GLU CA A 39 GLU C 1.0 -98.3 -58.3 PHI 24 24 A 39 GLU N A 39 GLU CA A 39 GLU C A 40 GLU N 1.0 70.7 203.2 PSI 25 25 A 39 GLU C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -178.4 -102.7 PHI 26 26 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 PHE N 1.0 127.6 184.3 PSI 27 27 A 40 GLU C A 41 PHE N A 41 PHE CA A 41 PHE C 1.0 -173.9 -96.9 PHI 28 28 A 41 PHE N A 41 PHE CA A 41 PHE C A 42 GLU N 1.0 124.5 176.7 PSI 29 29 A 41 PHE C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -146.0 -77.0 PHI 30 30 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 VAL N 1.0 105.2 159.5 PSI 31 31 A 42 GLU C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -161.0 -65.7 PHI 32 32 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 PRO N 1.0 104.3 149.5 PSI 33 33 A 44 PRO N A 44 PRO CA A 44 PRO C A 45 PHE N 1.0 118.5 174.7 PSI 34 34 A 44 PRO C A 45 PHE N A 45 PHE CA A 45 PHE C 1.0 -158.4 -65.0 PHI 35 35 A 45 PHE N A 45 PHE CA A 45 PHE C A 46 ALA N 1.0 116.5 175.7 PSI 36 36 A 46 ALA C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -85.0 -29.0 PHI 37 37 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 ASP N 1.0 -62.0 2.0 PSI 38 38 A 47 ASP C A 48 ASP N A 48 ASP CA A 48 ASP C 1.0 -124.0 -72.0 PHI 39 39 A 48 ASP N A 48 ASP CA A 48 ASP C A 49 ALA N 1.0 -27.0 25.0 PSI 40 40 A 49 ALA C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -139.5 -40.7 PHI 41 41 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 ILE N 1.0 70.7 194.6 PSI 42 42 A 50 GLU C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -116.5 -47.3 PHI 43 43 A 53 GLY C A 54 THR N A 54 THR CA A 54 THR C 1.0 -143.0 -99.0 PHI 44 44 A 54 THR N A 54 THR CA A 54 THR C A 55 TRP N 1.0 130.0 182.0 PSI 45 45 A 54 THR C A 55 TRP N A 55 TRP CA A 55 TRP C 1.0 -179.0 -83.0 PHI 46 46 A 55 TRP N A 55 TRP CA A 55 TRP C A 56 LEU N 1.0 100.0 148.0 PSI 47 47 A 55 TRP C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -145.0 -53.0 PHI 48 48 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 CYS N 1.0 70.0 154.0 PSI 49 49 A 57 CYS C A 58 ARG N A 58 ARG CA A 58 ARG C 1.0 -81.0 -41.0 PHI 50 50 A 58 ARG N A 58 ARG CA A 58 ARG C A 59 ASN N 1.0 -49.0 -9.0 PSI 51 51 A 58 ARG C A 59 ASN N A 59 ASN CA A 59 ASN C 1.0 -113.0 -65.0 PHI 52 52 A 59 ASN N A 59 ASN CA A 59 ASN C A 60 GLY N 1.0 -17.0 23.0 PSI 53 53 A 59 ASN C A 60 GLY N A 60 GLY CA A 60 GLY C 1.0 61.0 105.0 PHI 54 54 A 60 GLY N A 60 GLY CA A 60 GLY C A 61 MET N 1.0 -25.0 51.0 PSI 55 55 A 60 GLY C A 61 MET N A 61 MET CA A 61 MET C 1.0 -146.0 -54.0 PHI 56 56 A 61 MET N A 61 MET CA A 61 MET C A 62 GLU N 1.0 126.0 166.0 PSI 57 57 A 61 MET C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -150.0 -54.0 PHI 58 58 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 GLY N 1.0 106.0 162.0 PSI 59 59 A 63 GLY C A 64 THR N A 64 THR CA A 64 THR C 1.0 -146.0 -86.0 PHI 60 60 A 64 THR N A 64 THR CA A 64 THR C A 65 LEU N 1.0 98.0 154.0 PSI 61 61 A 64 THR C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -127.0 -55.0 PHI 62 62 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 ILE N 1.0 108.0 152.0 PSI 63 63 A 65 LEU C A 66 ILE N A 66 ILE CA A 66 ILE C 1.0 -160.0 -48.0 PHI 64 64 A 66 ILE N A 66 ILE CA A 66 ILE C A 67 GLU N 1.0 108.0 156.0 PSI 65 65 A 66 ILE C A 67 GLU N A 67 GLU CA A 67 GLU C 1.0 -157.0 -41.0 PHI 66 66 A 67 GLU N A 67 GLU CA A 67 GLU C A 68 GLY N 1.0 96.0 188.0 PSI 67 67 A 69 ASP C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -132.0 -40.0 PHI 68 68 A 70 LEU N A 70 LEU CA A 70 LEU C A 71 PRO N 1.0 104.0 180.0 PSI stop_ save_