data_nef_c15343_2jrs save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLY middle . false 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 SER middle . . 10 A 10 HIS middle . . 11 A 11 MET middle . . 12 A 12 ALA middle . . 13 A 13 ALA middle . . 14 A 14 ALA middle . . 15 A 15 MET middle . . 16 A 16 ALA middle . . 17 A 17 ASN middle . . 18 A 18 ASN middle . . 19 A 19 LEU middle . . 20 A 20 GLN middle . . 21 A 21 LYS middle . . 22 A 22 GLY middle . false 23 A 23 SER middle . . 24 A 24 ALA middle . . 25 A 25 GLY middle . false 26 A 26 PRO middle . false 27 A 27 MET middle . . 28 A 28 ARG middle . . 29 A 29 LEU middle . . 30 A 30 TYR middle . . 31 A 31 VAL middle . . 32 A 32 GLY middle . false 33 A 33 SER middle . . 34 A 34 LEU middle . . 35 A 35 HIS middle . . 36 A 36 PHE middle . . 37 A 37 ASN middle . . 38 A 38 ILE middle . . 39 A 39 THR middle . . 40 A 40 GLU middle . . 41 A 41 ASP middle . . 42 A 42 MET middle . . 43 A 43 LEU middle . . 44 A 44 ARG middle . . 45 A 45 GLY middle . false 46 A 46 ILE middle . . 47 A 47 PHE middle . . 48 A 48 GLU middle . . 49 A 49 PRO middle . false 50 A 50 PHE middle . . 51 A 51 GLY middle . false 52 A 52 ARG middle . . 53 A 53 ILE middle . . 54 A 54 GLU middle . . 55 A 55 SER middle . . 56 A 56 ILE middle . . 57 A 57 GLN middle . . 58 A 58 LEU middle . . 59 A 59 MET middle . . 60 A 60 MET middle . . 61 A 61 ASP middle . . 62 A 62 SER middle . . 63 A 63 GLU middle . . 64 A 64 THR middle . . 65 A 65 GLY middle . false 66 A 66 ARG middle . . 67 A 67 SER middle . . 68 A 68 LYS middle . . 69 A 69 GLY middle . false 70 A 70 TYR middle . . 71 A 71 GLY middle . false 72 A 72 PHE middle . . 73 A 73 ILE middle . . 74 A 74 THR middle . . 75 A 75 PHE middle . . 76 A 76 SER middle . . 77 A 77 ASP middle . . 78 A 78 SER middle . . 79 A 79 GLU middle . . 80 A 80 CYS middle . . 81 A 81 ALA middle . . 82 A 82 LYS middle . . 83 A 83 LYS middle . . 84 A 84 ALA middle . . 85 A 85 LEU middle . . 86 A 86 GLU middle . . 87 A 87 GLN middle . . 88 A 88 LEU middle . . 89 A 89 ASN middle . . 90 A 90 GLY middle . false 91 A 91 PHE middle . . 92 A 92 GLU middle . . 93 A 93 LEU middle . . 94 A 94 ALA middle . . 95 A 95 GLY middle . false 96 A 96 ARG middle . . 97 A 97 PRO middle . false 98 A 98 MET middle . . 99 A 99 LYS middle . . 100 A 100 VAL middle . . 101 A 101 GLY middle . false 102 A 102 HIS middle . . 103 A 103 VAL middle . . 104 A 104 THR middle . . 105 A 105 GLU middle . . 106 A 106 ARG middle . . 107 A 107 THR middle . . 108 A 108 ASP end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 9 SER HA H 1 4.375 0.02 A 9 SER HBy H 1 3.841 0.02 A 9 SER HBx H 1 3.786 0.02 A 9 SER CA C 13 58.581 0.2 A 9 SER CB C 13 63.784 0.2 A 10 HIS HA H 1 4.602 0.02 A 10 HIS HBx H 1 3.119 0.02 A 10 HIS HBy H 1 3.133 0.02 A 10 HIS C C 13 175.296 0.2 A 10 HIS CA C 13 56.385 0.2 A 10 HIS CB C 13 29.950 0.2 A 11 MET H H 1 8.194 0.02 A 11 MET HA H 1 4.372 0.02 A 11 MET HBy H 1 2.006 0.02 A 11 MET HBx H 1 1.914 0.02 A 11 MET HGy H 1 2.470 0.02 A 11 MET HGx H 1 2.411 0.02 A 11 MET C C 13 175.999 0.2 A 11 MET CA C 13 55.673 0.2 A 11 MET CB C 13 32.750 0.2 A 11 MET CG C 13 31.875 0.2 A 11 MET N N 15 121.499 0.2 A 12 ALA H H 1 8.280 0.02 A 12 ALA HA H 1 4.195 0.02 A 12 ALA HB% H 1 1.373 0.02 A 12 ALA C C 13 177.901 0.2 A 12 ALA CA C 13 52.837 0.2 A 12 ALA CB C 13 19.087 0.2 A 12 ALA N N 15 125.279 0.2 A 13 ALA H H 1 8.159 0.02 A 13 ALA HA H 1 4.206 0.02 A 13 ALA HB% H 1 1.373 0.02 A 13 ALA C C 13 177.893 0.2 A 13 ALA CA C 13 52.847 0.2 A 13 ALA CB C 13 19.087 0.2 A 13 ALA N N 15 122.411 0.2 A 14 ALA H H 1 8.219 0.02 A 14 ALA HA H 1 4.227 0.02 A 14 ALA HB% H 1 1.373 0.02 A 14 ALA C C 13 178.143 0.2 A 14 ALA CA C 13 52.849 0.2 A 14 ALA CB C 13 19.087 0.2 A 14 ALA N N 15 123.111 0.2 A 15 MET H H 1 8.154 0.02 A 15 MET HA H 1 4.393 0.02 A 15 MET HBy H 1 2.089 0.02 A 15 MET HBx H 1 2.022 0.02 A 15 MET HGy H 1 2.600 0.02 A 15 MET HGx H 1 2.526 0.02 A 15 MET C C 13 176.319 0.2 A 15 MET CA C 13 55.567 0.2 A 15 MET CB C 13 32.958 0.2 A 15 MET CG C 13 32.082 0.2 A 15 MET N N 15 118.840 0.2 A 16 ALA H H 1 8.173 0.02 A 16 ALA HA H 1 4.244 0.02 A 16 ALA HB% H 1 1.373 0.02 A 16 ALA C C 13 177.644 0.2 A 16 ALA CA C 13 52.860 0.2 A 16 ALA CB C 13 19.087 0.2 A 16 ALA N N 15 124.483 0.2 A 17 ASN H H 1 8.324 0.02 A 17 ASN HA H 1 4.648 0.02 A 17 ASN HBy H 1 2.830 0.02 A 17 ASN HBx H 1 2.762 0.02 A 17 ASN HD21 H 1 7.590 0.02 A 17 ASN HD22 H 1 6.899 0.02 A 17 ASN C C 13 175.149 0.2 A 17 ASN CA C 13 53.293 0.2 A 17 ASN CB C 13 38.832 0.2 A 17 ASN N N 15 117.367 0.2 A 17 ASN ND2 N 15 112.602 0.2 A 18 ASN H H 1 8.312 0.02 A 18 ASN HA H 1 4.663 0.02 A 18 ASN HBy H 1 2.831 0.02 A 18 ASN HBx H 1 2.766 0.02 A 18 ASN HD21 H 1 7.607 0.02 A 18 ASN HD22 H 1 6.916 0.02 A 18 ASN C C 13 175.347 0.2 A 18 ASN CA C 13 53.540 0.2 A 18 ASN CB C 13 38.593 0.2 A 18 ASN N N 15 118.750 0.2 A 18 ASN ND2 N 15 112.769 0.2 A 19 LEU H H 1 8.142 0.02 A 19 LEU HA H 1 4.298 0.02 A 19 LEU HBy H 1 1.669 0.02 A 19 LEU HBx H 1 1.573 0.02 A 19 LEU HD1% H 1 0.843 0.02 A 19 LEU HD2% H 1 0.908 0.02 A 19 LEU HG H 1 1.612 0.02 A 19 LEU C C 13 177.504 0.2 A 19 LEU CA C 13 55.436 0.2 A 19 LEU CB C 13 42.154 0.2 A 19 LEU CD1 C 13 23.313 0.2 A 19 LEU CD2 C 13 25.051 0.2 A 19 LEU CG C 13 27.015 0.2 A 19 LEU N N 15 121.777 0.2 A 20 GLN H H 1 8.271 0.02 A 20 GLN HA H 1 4.296 0.02 A 20 GLN HBy H 1 2.103 0.02 A 20 GLN HBx H 1 1.996 0.02 A 20 GLN HE21 H 1 7.522 0.02 A 20 GLN HE22 H 1 6.870 0.02 A 20 GLN HGx H 1 2.357 0.02 A 20 GLN HGy H 1 2.359 0.02 A 20 GLN C C 13 176.041 0.2 A 20 GLN CA C 13 55.853 0.2 A 20 GLN CB C 13 29.178 0.2 A 20 GLN CG C 13 33.844 0.2 A 20 GLN N N 15 120.612 0.2 A 20 GLN NE2 N 15 112.617 0.2 A 21 LYS H H 1 8.339 0.02 A 21 LYS HA H 1 4.298 0.02 A 21 LYS HBy H 1 1.856 0.02 A 21 LYS HBx H 1 1.777 0.02 A 21 LYS HDx H 1 1.683 0.02 A 21 LYS HDy H 1 1.683 0.02 A 21 LYS HEx H 1 3.005 0.02 A 21 LYS HEy H 1 3.005 0.02 A 21 LYS HGy H 1 1.457 0.02 A 21 LYS HGx H 1 1.435 0.02 A 21 LYS C C 13 177.172 0.2 A 21 LYS CA C 13 56.516 0.2 A 21 LYS CB C 13 33.022 0.2 A 21 LYS CD C 13 29.124 0.2 A 21 LYS CE C 13 42.263 0.2 A 21 LYS CG C 13 24.773 0.2 A 21 LYS N N 15 122.784 0.2 A 22 GLY H H 1 8.483 0.02 A 22 GLY HAx H 1 3.993 0.02 A 22 GLY HAy H 1 3.993 0.02 A 22 GLY C C 13 174.149 0.2 A 22 GLY CA C 13 45.227 0.2 A 22 GLY N N 15 110.471 0.2 A 23 SER H H 1 8.286 0.02 A 23 SER HA H 1 4.495 0.02 A 23 SER HBy H 1 3.922 0.02 A 23 SER HBx H 1 3.867 0.02 A 23 SER C C 13 174.402 0.2 A 23 SER CA C 13 58.268 0.2 A 23 SER CB C 13 64.119 0.2 A 23 SER N N 15 115.686 0.2 A 24 ALA H H 1 8.513 0.02 A 24 ALA HA H 1 4.491 0.02 A 24 ALA HB% H 1 1.491 0.02 A 24 ALA C C 13 177.692 0.2 A 24 ALA CA C 13 52.584 0.2 A 24 ALA CB C 13 19.797 0.2 A 24 ALA N N 15 126.527 0.2 A 25 GLY H H 1 8.331 0.02 A 25 GLY HAy H 1 4.188 0.02 A 25 GLY HAx H 1 4.164 0.02 A 25 GLY CA C 13 44.640 0.2 A 25 GLY N N 15 108.729 0.2 A 26 PRO HA H 1 4.603 0.02 A 26 PRO HBy H 1 2.199 0.02 A 26 PRO HBx H 1 1.720 0.02 A 26 PRO HDx H 1 3.611 0.02 A 26 PRO HDy H 1 3.633 0.02 A 26 PRO HGy H 1 2.003 0.02 A 26 PRO HGx H 1 1.909 0.02 A 26 PRO C C 13 176.863 0.2 A 26 PRO CA C 13 63.297 0.2 A 26 PRO CB C 13 33.592 0.2 A 26 PRO CD C 13 49.862 0.2 A 26 PRO CG C 13 27.012 0.2 A 27 MET H H 1 8.296 0.02 A 27 MET HA H 1 4.618 0.02 A 27 MET HBy H 1 2.034 0.02 A 27 MET HBx H 1 1.712 0.02 A 27 MET HE% H 1 2.035 0.02 A 27 MET HGy H 1 2.580 0.02 A 27 MET HGx H 1 2.297 0.02 A 27 MET C C 13 172.890 0.2 A 27 MET CA C 13 55.790 0.2 A 27 MET CB C 13 36.855 0.2 A 27 MET CE C 13 17.573 0.2 A 27 MET CG C 13 32.454 0.2 A 27 MET N N 15 118.835 0.2 A 28 ARG H H 1 8.915 0.02 A 28 ARG HA H 1 5.115 0.02 A 28 ARG HBy H 1 1.818 0.02 A 28 ARG HBx H 1 1.665 0.02 A 28 ARG HDx H 1 2.889 0.02 A 28 ARG HDy H 1 2.905 0.02 A 28 ARG HE H 1 6.883 0.02 A 28 ARG HGy H 1 1.580 0.02 A 28 ARG HGx H 1 1.560 0.02 A 28 ARG C C 13 174.193 0.2 A 28 ARG CA C 13 55.339 0.2 A 28 ARG CB C 13 33.036 0.2 A 28 ARG CD C 13 43.752 0.2 A 28 ARG CG C 13 27.500 0.2 A 28 ARG N N 15 129.276 0.2 A 28 ARG NE N 15 83.337 0.2 A 29 LEU H H 1 9.412 0.02 A 29 LEU HA H 1 5.100 0.02 A 29 LEU HBy H 1 1.712 0.02 A 29 LEU HBx H 1 1.497 0.02 A 29 LEU HD1% H 1 0.936 0.02 A 29 LEU HD2% H 1 0.743 0.02 A 29 LEU HG H 1 1.745 0.02 A 29 LEU C C 13 176.472 0.2 A 29 LEU CA C 13 53.108 0.2 A 29 LEU CB C 13 44.470 0.2 A 29 LEU CD1 C 13 26.310 0.2 A 29 LEU CD2 C 13 23.076 0.2 A 29 LEU CG C 13 26.815 0.2 A 29 LEU N N 15 123.576 0.2 A 30 TYR H H 1 8.933 0.02 A 30 TYR HA H 1 4.734 0.02 A 30 TYR HBy H 1 2.934 0.02 A 30 TYR HBx H 1 2.534 0.02 A 30 TYR HD1 H 1 6.741 0.02 A 30 TYR HD2 H 1 6.741 0.02 A 30 TYR HE1 H 1 6.369 0.02 A 30 TYR HE2 H 1 6.369 0.02 A 30 TYR C C 13 173.449 0.2 A 30 TYR CA C 13 56.981 0.2 A 30 TYR CB C 13 40.407 0.2 A 30 TYR CD1 C 13 133.330 0.2 A 30 TYR CD2 C 13 133.330 0.2 A 30 TYR CE1 C 13 117.666 0.2 A 30 TYR CE2 C 13 117.666 0.2 A 30 TYR N N 15 123.086 0.2 A 31 VAL H H 1 7.960 0.02 A 31 VAL HA H 1 4.962 0.02 A 31 VAL HB H 1 1.509 0.02 A 31 VAL HG1% H 1 0.766 0.02 A 31 VAL HG2% H 1 0.684 0.02 A 31 VAL C C 13 173.483 0.2 A 31 VAL CA C 13 59.038 0.2 A 31 VAL CB C 13 34.022 0.2 A 31 VAL CG1 C 13 21.791 0.2 A 31 VAL CG2 C 13 21.419 0.2 A 31 VAL N N 15 125.799 0.2 A 32 GLY H H 1 9.144 0.02 A 32 GLY HAy H 1 4.912 0.02 A 32 GLY HAx H 1 3.706 0.02 A 32 GLY C C 13 173.278 0.2 A 32 GLY CA C 13 44.216 0.2 A 32 GLY N N 15 110.767 0.2 A 33 SER H H 1 8.743 0.02 A 33 SER HA H 1 4.607 0.02 A 33 SER HBy H 1 3.922 0.02 A 33 SER HBx H 1 3.921 0.02 A 33 SER C C 13 175.095 0.2 A 33 SER CA C 13 63.551 0.2 A 33 SER CB C 13 63.432 0.2 A 33 SER N N 15 113.078 0.2 A 34 LEU H H 1 8.215 0.02 A 34 LEU HA H 1 4.338 0.02 A 34 LEU HBx H 1 1.256 0.02 A 34 LEU HBy H 1 1.340 0.02 A 34 LEU HD1% H 1 0.475 0.02 A 34 LEU HD2% H 1 0.786 0.02 A 34 LEU HG H 1 1.277 0.02 A 34 LEU C C 13 177.982 0.2 A 34 LEU CA C 13 53.056 0.2 A 34 LEU CB C 13 43.608 0.2 A 34 LEU CD1 C 13 26.400 0.2 A 34 LEU CD2 C 13 22.983 0.2 A 34 LEU CG C 13 26.280 0.2 A 34 LEU N N 15 117.551 0.2 A 35 HIS H H 1 9.208 0.02 A 35 HIS HA H 1 4.340 0.02 A 35 HIS HBy H 1 2.957 0.02 A 35 HIS HBx H 1 2.910 0.02 A 35 HIS HD2 H 1 7.034 0.02 A 35 HIS HE1 H 1 7.374 0.02 A 35 HIS C C 13 177.929 0.2 A 35 HIS CA C 13 57.542 0.2 A 35 HIS CB C 13 31.459 0.2 A 35 HIS CD2 C 13 118.113 0.2 A 35 HIS CE1 C 13 138.935 0.2 A 35 HIS N N 15 122.297 0.2 A 36 PHE H H 1 7.583 0.02 A 36 PHE HA H 1 4.280 0.02 A 36 PHE HBx H 1 3.129 0.02 A 36 PHE HBy H 1 3.198 0.02 A 36 PHE HD1 H 1 7.077 0.02 A 36 PHE HD2 H 1 7.080 0.02 A 36 PHE HE1 H 1 7.332 0.02 A 36 PHE HE2 H 1 7.332 0.02 A 36 PHE HZ H 1 7.354 0.02 A 36 PHE C C 13 175.334 0.2 A 36 PHE CA C 13 59.370 0.2 A 36 PHE CB C 13 37.775 0.2 A 36 PHE CD1 C 13 131.652 0.2 A 36 PHE CD2 C 13 131.655 0.2 A 36 PHE CE1 C 13 131.638 0.2 A 36 PHE CE2 C 13 131.638 0.2 A 36 PHE CZ C 13 130.157 0.2 A 36 PHE N N 15 123.801 0.2 A 37 ASN H H 1 9.186 0.02 A 37 ASN HA H 1 4.742 0.02 A 37 ASN HBy H 1 2.849 0.02 A 37 ASN HBx H 1 2.610 0.02 A 37 ASN HD21 H 1 7.422 0.02 A 37 ASN HD22 H 1 6.634 0.02 A 37 ASN C C 13 175.506 0.2 A 37 ASN CA C 13 52.771 0.2 A 37 ASN CB C 13 37.633 0.2 A 37 ASN N N 15 118.370 0.2 A 37 ASN ND2 N 15 110.178 0.2 A 38 ILE H H 1 7.334 0.02 A 38 ILE HA H 1 4.382 0.02 A 38 ILE HB H 1 2.188 0.02 A 38 ILE HD1% H 1 0.776 0.02 A 38 ILE HG1y H 1 1.804 0.02 A 38 ILE HG1x H 1 1.666 0.02 A 38 ILE HG2% H 1 0.954 0.02 A 38 ILE C C 13 176.848 0.2 A 38 ILE CA C 13 59.673 0.2 A 38 ILE CB C 13 34.838 0.2 A 38 ILE CD1 C 13 9.855 0.2 A 38 ILE CG1 C 13 27.149 0.2 A 38 ILE CG2 C 13 18.128 0.2 A 38 ILE N N 15 119.526 0.2 A 39 THR H H 1 7.517 0.02 A 39 THR HA H 1 4.550 0.02 A 39 THR HB H 1 4.745 0.02 A 39 THR HG1 H 1 5.894 0.02 A 39 THR HG2% H 1 1.331 0.02 A 39 THR C C 13 175.541 0.2 A 39 THR CA C 13 59.781 0.2 A 39 THR CB C 13 71.908 0.2 A 39 THR CG2 C 13 21.921 0.2 A 39 THR N N 15 118.266 0.2 A 40 GLU H H 1 9.414 0.02 A 40 GLU HA H 1 3.656 0.02 A 40 GLU HBy H 1 2.090 0.02 A 40 GLU HBx H 1 1.918 0.02 A 40 GLU HGy H 1 2.239 0.02 A 40 GLU HGx H 1 2.166 0.02 A 40 GLU C C 13 178.151 0.2 A 40 GLU CA C 13 60.833 0.2 A 40 GLU CB C 13 29.233 0.2 A 40 GLU CG C 13 37.513 0.2 A 40 GLU N N 15 120.526 0.2 A 41 ASP H H 1 8.382 0.02 A 41 ASP HA H 1 4.373 0.02 A 41 ASP HBy H 1 2.599 0.02 A 41 ASP HBx H 1 2.566 0.02 A 41 ASP C C 13 179.340 0.2 A 41 ASP CA C 13 57.371 0.2 A 41 ASP CB C 13 40.602 0.2 A 41 ASP N N 15 116.870 0.2 A 42 MET H H 1 7.698 0.02 A 42 MET HA H 1 4.102 0.02 A 42 MET HBy H 1 2.280 0.02 A 42 MET HBx H 1 2.113 0.02 A 42 MET HGy H 1 2.701 0.02 A 42 MET HGx H 1 2.671 0.02 A 42 MET C C 13 179.508 0.2 A 42 MET CA C 13 58.883 0.2 A 42 MET CB C 13 33.298 0.2 A 42 MET CG C 13 32.665 0.2 A 42 MET N N 15 120.341 0.2 A 43 LEU H H 1 7.779 0.02 A 43 LEU HA H 1 4.133 0.02 A 43 LEU HBy H 1 1.991 0.02 A 43 LEU HBx H 1 1.271 0.02 A 43 LEU HD1% H 1 0.621 0.02 A 43 LEU HD2% H 1 0.810 0.02 A 43 LEU HG H 1 1.711 0.02 A 43 LEU C C 13 179.027 0.2 A 43 LEU CA C 13 57.555 0.2 A 43 LEU CB C 13 42.050 0.2 A 43 LEU CD1 C 13 25.512 0.2 A 43 LEU CD2 C 13 22.999 0.2 A 43 LEU CG C 13 26.275 0.2 A 43 LEU N N 15 118.281 0.2 A 44 ARG H H 1 8.762 0.02 A 44 ARG HA H 1 3.597 0.02 A 44 ARG HBy H 1 1.959 0.02 A 44 ARG HBx H 1 1.890 0.02 A 44 ARG HDy H 1 3.342 0.02 A 44 ARG HDx H 1 3.116 0.02 A 44 ARG HE H 1 7.722 0.02 A 44 ARG HGy H 1 1.509 0.02 A 44 ARG HGx H 1 1.438 0.02 A 44 ARG C C 13 177.782 0.2 A 44 ARG CA C 13 61.137 0.2 A 44 ARG CB C 13 29.646 0.2 A 44 ARG CD C 13 42.950 0.2 A 44 ARG CG C 13 28.363 0.2 A 44 ARG N N 15 121.106 0.2 A 44 ARG NE N 15 83.417 0.2 A 45 GLY H H 1 7.584 0.02 A 45 GLY HAy H 1 3.924 0.02 A 45 GLY HAx H 1 3.916 0.02 A 45 GLY C C 13 175.436 0.2 A 45 GLY CA C 13 46.917 0.2 A 45 GLY N N 15 102.057 0.2 A 46 ILE H H 1 7.247 0.02 A 46 ILE HA H 1 3.979 0.02 A 46 ILE HB H 1 1.840 0.02 A 46 ILE HD1% H 1 0.835 0.02 A 46 ILE HG1y H 1 1.595 0.02 A 46 ILE HG1x H 1 1.296 0.02 A 46 ILE HG2% H 1 0.468 0.02 A 46 ILE C C 13 176.558 0.2 A 46 ILE CA C 13 62.480 0.2 A 46 ILE CB C 13 38.903 0.2 A 46 ILE CD1 C 13 13.899 0.2 A 46 ILE CG1 C 13 28.090 0.2 A 46 ILE CG2 C 13 18.149 0.2 A 46 ILE N N 15 117.144 0.2 A 47 PHE H H 1 8.172 0.02 A 47 PHE HA H 1 4.613 0.02 A 47 PHE HBy H 1 3.082 0.02 A 47 PHE HBx H 1 2.794 0.02 A 47 PHE HD1 H 1 7.517 0.02 A 47 PHE HD2 H 1 7.517 0.02 A 47 PHE HE1 H 1 7.517 0.02 A 47 PHE HE2 H 1 7.517 0.02 A 47 PHE HZ H 1 6.963 0.02 A 47 PHE C C 13 176.690 0.2 A 47 PHE CA C 13 61.381 0.2 A 47 PHE CB C 13 40.475 0.2 A 47 PHE CD1 C 13 131.911 0.2 A 47 PHE CD2 C 13 131.911 0.2 A 47 PHE CE1 C 13 131.800 0.2 A 47 PHE CE2 C 13 131.800 0.2 A 47 PHE CZ C 13 130.656 0.2 A 47 PHE N N 15 116.298 0.2 A 48 GLU H H 1 8.945 0.02 A 48 GLU HA H 1 4.624 0.02 A 48 GLU HBy H 1 2.266 0.02 A 48 GLU HBx H 1 2.149 0.02 A 48 GLU HGy H 1 2.468 0.02 A 48 GLU HGx H 1 2.382 0.02 A 48 GLU CA C 13 60.127 0.2 A 48 GLU CB C 13 28.750 0.2 A 48 GLU CG C 13 37.464 0.2 A 48 GLU N N 15 121.373 0.2 A 49 PRO HA H 1 4.228 0.02 A 49 PRO HBy H 1 2.102 0.02 A 49 PRO HBx H 1 0.995 0.02 A 49 PRO HDx H 1 3.281 0.02 A 49 PRO HDy H 1 3.655 0.02 A 49 PRO HGy H 1 1.903 0.02 A 49 PRO HGx H 1 1.808 0.02 A 49 PRO C C 13 177.629 0.2 A 49 PRO CA C 13 65.678 0.2 A 49 PRO CB C 13 31.181 0.2 A 49 PRO CD C 13 51.727 0.2 A 49 PRO CG C 13 28.511 0.2 A 50 PHE H H 1 8.005 0.02 A 50 PHE HA H 1 4.087 0.02 A 50 PHE HBy H 1 3.297 0.02 A 50 PHE HBx H 1 3.095 0.02 A 50 PHE HD1 H 1 7.357 0.02 A 50 PHE HD2 H 1 7.357 0.02 A 50 PHE HE1 H 1 7.172 0.02 A 50 PHE HE2 H 1 7.172 0.02 A 50 PHE HZ H 1 7.019 0.02 A 50 PHE C C 13 176.125 0.2 A 50 PHE CA C 13 60.464 0.2 A 50 PHE CB C 13 39.325 0.2 A 50 PHE CD1 C 13 131.461 0.2 A 50 PHE CD2 C 13 131.461 0.2 A 50 PHE CE1 C 13 131.201 0.2 A 50 PHE CE2 C 13 131.201 0.2 A 50 PHE CZ C 13 129.257 0.2 A 50 PHE N N 15 111.975 0.2 A 51 GLY H H 1 7.941 0.02 A 51 GLY HAy H 1 4.693 0.02 A 51 GLY HAx H 1 3.978 0.02 A 51 GLY C C 13 170.153 0.2 A 51 GLY CA C 13 45.234 0.2 A 51 GLY N N 15 107.086 0.2 A 52 ARG H H 1 7.938 0.02 A 52 ARG HA H 1 4.184 0.02 A 52 ARG HBy H 1 1.833 0.02 A 52 ARG HBx H 1 1.790 0.02 A 52 ARG HDx H 1 3.194 0.02 A 52 ARG HDy H 1 3.225 0.02 A 52 ARG HGy H 1 1.662 0.02 A 52 ARG HGx H 1 1.526 0.02 A 52 ARG C C 13 176.934 0.2 A 52 ARG CA C 13 57.660 0.2 A 52 ARG CB C 13 30.482 0.2 A 52 ARG CD C 13 43.564 0.2 A 52 ARG CG C 13 27.500 0.2 A 52 ARG N N 15 116.141 0.2 A 53 ILE H H 1 8.902 0.02 A 53 ILE HA H 1 3.951 0.02 A 53 ILE HB H 1 1.622 0.02 A 53 ILE HD1% H 1 0.410 0.02 A 53 ILE HG1y H 1 1.544 0.02 A 53 ILE HG1x H 1 0.270 0.02 A 53 ILE HG2% H 1 0.456 0.02 A 53 ILE C C 13 176.477 0.2 A 53 ILE CA C 13 60.074 0.2 A 53 ILE CB C 13 39.852 0.2 A 53 ILE CD1 C 13 13.451 0.2 A 53 ILE CG1 C 13 27.372 0.2 A 53 ILE CG2 C 13 17.733 0.2 A 53 ILE N N 15 128.564 0.2 A 54 GLU H H 1 8.944 0.02 A 54 GLU HA H 1 4.177 0.02 A 54 GLU HBy H 1 1.880 0.02 A 54 GLU HBx H 1 1.601 0.02 A 54 GLU HGx H 1 2.016 0.02 A 54 GLU HGy H 1 2.088 0.02 A 54 GLU C C 13 176.518 0.2 A 54 GLU CA C 13 57.490 0.2 A 54 GLU CB C 13 30.976 0.2 A 54 GLU CG C 13 35.499 0.2 A 54 GLU N N 15 127.746 0.2 A 55 SER H H 1 7.227 0.02 A 55 SER HA H 1 4.479 0.02 A 55 SER HBy H 1 3.775 0.02 A 55 SER HBx H 1 3.711 0.02 A 55 SER C C 13 171.832 0.2 A 55 SER CA C 13 57.738 0.2 A 55 SER CB C 13 64.828 0.2 A 55 SER N N 15 109.583 0.2 A 56 ILE H H 1 8.452 0.02 A 56 ILE HA H 1 4.430 0.02 A 56 ILE HB H 1 1.565 0.02 A 56 ILE HD1% H 1 0.713 0.02 A 56 ILE HG1y H 1 1.480 0.02 A 56 ILE HG1x H 1 0.748 0.02 A 56 ILE HG2% H 1 0.663 0.02 A 56 ILE C C 13 173.542 0.2 A 56 ILE CA C 13 61.287 0.2 A 56 ILE CB C 13 40.918 0.2 A 56 ILE CD1 C 13 13.830 0.2 A 56 ILE CG1 C 13 28.122 0.2 A 56 ILE CG2 C 13 16.154 0.2 A 56 ILE N N 15 122.375 0.2 A 57 GLN H H 1 8.725 0.02 A 57 GLN HA H 1 4.690 0.02 A 57 GLN HBy H 1 2.040 0.02 A 57 GLN HBx H 1 1.867 0.02 A 57 GLN HE21 H 1 7.512 0.02 A 57 GLN HE22 H 1 6.784 0.02 A 57 GLN HGy H 1 2.264 0.02 A 57 GLN HGx H 1 2.208 0.02 A 57 GLN C C 13 174.256 0.2 A 57 GLN CA C 13 54.298 0.2 A 57 GLN CB C 13 31.709 0.2 A 57 GLN CG C 13 33.611 0.2 A 57 GLN N N 15 126.195 0.2 A 57 GLN NE2 N 15 111.576 0.2 A 58 LEU H H 1 9.141 0.02 A 58 LEU HA H 1 4.380 0.02 A 58 LEU HBy H 1 1.551 0.02 A 58 LEU HBx H 1 1.246 0.02 A 58 LEU HD1% H 1 0.618 0.02 A 58 LEU HD2% H 1 0.597 0.02 A 58 LEU HG H 1 1.345 0.02 A 58 LEU C C 13 176.468 0.2 A 58 LEU CA C 13 54.247 0.2 A 58 LEU CB C 13 43.628 0.2 A 58 LEU CD1 C 13 24.118 0.2 A 58 LEU CD2 C 13 24.546 0.2 A 58 LEU CG C 13 27.089 0.2 A 58 LEU N N 15 127.727 0.2 A 59 MET H H 1 8.391 0.02 A 59 MET HA H 1 4.534 0.02 A 59 MET HBy H 1 1.517 0.02 A 59 MET HBx H 1 1.235 0.02 A 59 MET HE% H 1 2.149 0.02 A 59 MET HGy H 1 2.499 0.02 A 59 MET HGx H 1 2.238 0.02 A 59 MET C C 13 174.785 0.2 A 59 MET CA C 13 54.468 0.2 A 59 MET CB C 13 30.508 0.2 A 59 MET CE C 13 17.777 0.2 A 59 MET CG C 13 33.198 0.2 A 59 MET N N 15 123.636 0.2 A 60 MET H H 1 8.462 0.02 A 60 MET HA H 1 4.931 0.02 A 60 MET HBy H 1 1.812 0.02 A 60 MET HBx H 1 1.641 0.02 A 60 MET HE% H 1 1.965 0.02 A 60 MET HGy H 1 2.544 0.02 A 60 MET HGx H 1 2.466 0.02 A 60 MET C C 13 176.266 0.2 A 60 MET CA C 13 52.813 0.2 A 60 MET CB C 13 33.723 0.2 A 60 MET CE C 13 17.109 0.2 A 60 MET CG C 13 31.878 0.2 A 60 MET N N 15 121.040 0.2 A 61 ASP H H 1 8.944 0.02 A 61 ASP HA H 1 4.644 0.02 A 61 ASP HBy H 1 3.129 0.02 A 61 ASP HBx H 1 2.389 0.02 A 61 ASP C C 13 177.570 0.2 A 61 ASP CA C 13 53.754 0.2 A 61 ASP CB C 13 42.828 0.2 A 61 ASP N N 15 123.159 0.2 A 62 SER H H 1 9.015 0.02 A 62 SER HA H 1 4.124 0.02 A 62 SER HBx H 1 3.953 0.02 A 62 SER HBy H 1 3.972 0.02 A 62 SER C C 13 175.338 0.2 A 62 SER CA C 13 61.153 0.2 A 62 SER CB C 13 63.008 0.2 A 62 SER N N 15 123.587 0.2 A 63 GLU H H 1 8.589 0.02 A 63 GLU HA H 1 4.293 0.02 A 63 GLU HBx H 1 2.133 0.02 A 63 GLU HBy H 1 2.139 0.02 A 63 GLU HGy H 1 2.289 0.02 A 63 GLU HGx H 1 2.221 0.02 A 63 GLU C C 13 178.279 0.2 A 63 GLU CA C 13 58.354 0.2 A 63 GLU CB C 13 30.152 0.2 A 63 GLU CG C 13 36.500 0.2 A 63 GLU N N 15 120.593 0.2 A 64 THR H H 1 7.953 0.02 A 64 THR HA H 1 4.367 0.02 A 64 THR HB H 1 4.252 0.02 A 64 THR HG2% H 1 1.166 0.02 A 64 THR C C 13 176.700 0.2 A 64 THR CA C 13 61.699 0.2 A 64 THR CB C 13 71.066 0.2 A 64 THR CG2 C 13 21.256 0.2 A 64 THR N N 15 106.694 0.2 A 65 GLY H H 1 8.278 0.02 A 65 GLY HAy H 1 4.099 0.02 A 65 GLY HAx H 1 3.780 0.02 A 65 GLY C C 13 173.435 0.2 A 65 GLY CA C 13 45.807 0.2 A 65 GLY N N 15 110.960 0.2 A 66 ARG H H 1 7.635 0.02 A 66 ARG HA H 1 4.427 0.02 A 66 ARG HBy H 1 1.792 0.02 A 66 ARG HBx H 1 1.602 0.02 A 66 ARG HDx H 1 2.923 0.02 A 66 ARG HDy H 1 2.923 0.02 A 66 ARG HGy H 1 1.580 0.02 A 66 ARG HGx H 1 1.563 0.02 A 66 ARG C C 13 175.666 0.2 A 66 ARG CA C 13 55.044 0.2 A 66 ARG CB C 13 32.375 0.2 A 66 ARG CD C 13 43.448 0.2 A 66 ARG CG C 13 27.230 0.2 A 66 ARG N N 15 118.679 0.2 A 67 SER H H 1 8.730 0.02 A 67 SER HA H 1 4.788 0.02 A 67 SER HBx H 1 4.040 0.02 A 67 SER HBy H 1 4.089 0.02 A 67 SER C C 13 176.492 0.2 A 67 SER CA C 13 58.224 0.2 A 67 SER CB C 13 64.627 0.2 A 67 SER N N 15 116.708 0.2 A 68 LYS H H 1 9.072 0.02 A 68 LYS HA H 1 4.310 0.02 A 68 LYS HBy H 1 2.124 0.02 A 68 LYS HBx H 1 1.258 0.02 A 68 LYS HDy H 1 1.688 0.02 A 68 LYS HDx H 1 1.590 0.02 A 68 LYS HEy H 1 3.005 0.02 A 68 LYS HEx H 1 3.002 0.02 A 68 LYS HGy H 1 1.397 0.02 A 68 LYS HGx H 1 1.316 0.02 A 68 LYS C C 13 177.961 0.2 A 68 LYS CA C 13 56.798 0.2 A 68 LYS CB C 13 33.350 0.2 A 68 LYS CD C 13 29.606 0.2 A 68 LYS CE C 13 42.097 0.2 A 68 LYS CG C 13 26.289 0.2 A 68 LYS N N 15 123.366 0.2 A 69 GLY H H 1 9.392 0.02 A 69 GLY HAy H 1 4.221 0.02 A 69 GLY HAx H 1 3.442 0.02 A 69 GLY C C 13 171.630 0.2 A 69 GLY CA C 13 45.761 0.2 A 69 GLY N N 15 107.793 0.2 A 70 TYR H H 1 7.068 0.02 A 70 TYR HA H 1 5.185 0.02 A 70 TYR HBy H 1 3.140 0.02 A 70 TYR HBx H 1 2.981 0.02 A 70 TYR HD1 H 1 6.726 0.02 A 70 TYR HD2 H 1 6.726 0.02 A 70 TYR HE1 H 1 6.804 0.02 A 70 TYR HE2 H 1 6.804 0.02 A 70 TYR C C 13 172.216 0.2 A 70 TYR CA C 13 55.080 0.2 A 70 TYR CB C 13 40.312 0.2 A 70 TYR CD1 C 13 133.845 0.2 A 70 TYR CD2 C 13 133.845 0.2 A 70 TYR CE1 C 13 118.032 0.2 A 70 TYR CE2 C 13 118.032 0.2 A 70 TYR N N 15 111.291 0.2 A 71 GLY H H 1 8.898 0.02 A 71 GLY HAy H 1 4.108 0.02 A 71 GLY HAx H 1 3.651 0.02 A 71 GLY C C 13 169.589 0.2 A 71 GLY CA C 13 45.355 0.2 A 71 GLY N N 15 106.490 0.2 A 72 PHE H H 1 8.541 0.02 A 72 PHE HA H 1 5.804 0.02 A 72 PHE HBy H 1 2.862 0.02 A 72 PHE HBx H 1 2.673 0.02 A 72 PHE HD1 H 1 7.154 0.02 A 72 PHE HD2 H 1 7.154 0.02 A 72 PHE HE1 H 1 7.519 0.02 A 72 PHE HE2 H 1 7.519 0.02 A 72 PHE HZ H 1 7.556 0.02 A 72 PHE C C 13 175.384 0.2 A 72 PHE CA C 13 55.828 0.2 A 72 PHE CB C 13 43.877 0.2 A 72 PHE CD1 C 13 132.310 0.2 A 72 PHE CD2 C 13 132.310 0.2 A 72 PHE CE1 C 13 131.624 0.2 A 72 PHE CE2 C 13 131.624 0.2 A 72 PHE CZ C 13 129.796 0.2 A 72 PHE N N 15 114.921 0.2 A 73 ILE H H 1 9.025 0.02 A 73 ILE HA H 1 4.511 0.02 A 73 ILE HB H 1 1.196 0.02 A 73 ILE HD1% H 1 -0.200 0.02 A 73 ILE HG1x H 1 0.539 0.02 A 73 ILE HG1y H 1 0.817 0.02 A 73 ILE HG2% H 1 0.219 0.02 A 73 ILE C C 13 174.320 0.2 A 73 ILE CA C 13 59.976 0.2 A 73 ILE CB C 13 41.041 0.2 A 73 ILE CD1 C 13 13.258 0.2 A 73 ILE CG1 C 13 27.172 0.2 A 73 ILE CG2 C 13 16.812 0.2 A 73 ILE N N 15 123.077 0.2 A 74 THR H H 1 8.792 0.02 A 74 THR HA H 1 5.110 0.02 A 74 THR HB H 1 3.956 0.02 A 74 THR HG2% H 1 0.985 0.02 A 74 THR C C 13 174.604 0.2 A 74 THR CA C 13 61.667 0.2 A 74 THR CB C 13 69.574 0.2 A 74 THR CG2 C 13 21.291 0.2 A 74 THR N N 15 123.069 0.2 A 75 PHE H H 1 9.026 0.02 A 75 PHE HA H 1 4.829 0.02 A 75 PHE HBy H 1 3.458 0.02 A 75 PHE HBx H 1 2.816 0.02 A 75 PHE HD1 H 1 7.166 0.02 A 75 PHE HD2 H 1 7.164 0.02 A 75 PHE HE1 H 1 7.524 0.02 A 75 PHE HE2 H 1 7.524 0.02 A 75 PHE HZ H 1 7.441 0.02 A 75 PHE C C 13 175.569 0.2 A 75 PHE CA C 13 58.037 0.2 A 75 PHE CB C 13 41.827 0.2 A 75 PHE CD1 C 13 131.474 0.2 A 75 PHE CD2 C 13 131.474 0.2 A 75 PHE CE1 C 13 131.392 0.2 A 75 PHE CE2 C 13 131.392 0.2 A 75 PHE CZ C 13 129.368 0.2 A 75 PHE N N 15 128.473 0.2 A 76 SER H H 1 8.213 0.02 A 76 SER HA H 1 4.179 0.02 A 76 SER HBy H 1 3.963 0.02 A 76 SER HBx H 1 3.745 0.02 A 76 SER C C 13 172.997 0.2 A 76 SER CA C 13 61.803 0.2 A 76 SER CB C 13 63.506 0.2 A 76 SER N N 15 115.907 0.2 A 77 ASP H H 1 8.927 0.02 A 77 ASP HA H 1 4.965 0.02 A 77 ASP HBy H 1 3.041 0.02 A 77 ASP HBx H 1 2.620 0.02 A 77 ASP C C 13 177.171 0.2 A 77 ASP CA C 13 52.589 0.2 A 77 ASP CB C 13 44.538 0.2 A 77 ASP N N 15 119.053 0.2 A 78 SER H H 1 8.960 0.02 A 78 SER HA H 1 4.117 0.02 A 78 SER HBy H 1 4.027 0.02 A 78 SER HBx H 1 3.989 0.02 A 78 SER C C 13 175.955 0.2 A 78 SER CA C 13 61.765 0.2 A 78 SER CB C 13 63.481 0.2 A 78 SER N N 15 122.912 0.2 A 79 GLU H H 1 8.777 0.02 A 79 GLU HA H 1 4.074 0.02 A 79 GLU HBx H 1 2.104 0.02 A 79 GLU HBy H 1 2.204 0.02 A 79 GLU HGy H 1 2.439 0.02 A 79 GLU HGx H 1 2.339 0.02 A 79 GLU C C 13 180.045 0.2 A 79 GLU CA C 13 59.360 0.2 A 79 GLU CB C 13 28.855 0.2 A 79 GLU CG C 13 36.465 0.2 A 79 GLU N N 15 122.848 0.2 A 80 CYS H H 1 7.608 0.02 A 80 CYS HA H 1 4.106 0.02 A 80 CYS HBy H 1 3.228 0.02 A 80 CYS HBx H 1 2.944 0.02 A 80 CYS C C 13 175.877 0.2 A 80 CYS CA C 13 62.481 0.2 A 80 CYS CB C 13 27.850 0.2 A 80 CYS N N 15 119.765 0.2 A 81 ALA H H 1 7.067 0.02 A 81 ALA HA H 1 2.917 0.02 A 81 ALA HB% H 1 1.433 0.02 A 81 ALA C C 13 178.546 0.2 A 81 ALA CA C 13 54.274 0.2 A 81 ALA CB C 13 19.114 0.2 A 81 ALA N N 15 120.232 0.2 A 82 LYS H H 1 7.919 0.02 A 82 LYS HA H 1 3.721 0.02 A 82 LYS HBx H 1 1.805 0.02 A 82 LYS HBy H 1 1.911 0.02 A 82 LYS HDy H 1 1.693 0.02 A 82 LYS HDx H 1 1.677 0.02 A 82 LYS HEx H 1 2.891 0.02 A 82 LYS HEy H 1 2.891 0.02 A 82 LYS HGx H 1 1.377 0.02 A 82 LYS HGy H 1 1.383 0.02 A 82 LYS C C 13 178.770 0.2 A 82 LYS CA C 13 60.155 0.2 A 82 LYS CB C 13 32.478 0.2 A 82 LYS CD C 13 29.957 0.2 A 82 LYS CE C 13 42.062 0.2 A 82 LYS CG C 13 25.989 0.2 A 82 LYS N N 15 115.990 0.2 A 83 LYS H H 1 7.222 0.02 A 83 LYS HA H 1 4.068 0.02 A 83 LYS HBy H 1 2.029 0.02 A 83 LYS HBx H 1 2.024 0.02 A 83 LYS HDx H 1 1.842 0.02 A 83 LYS HDy H 1 1.842 0.02 A 83 LYS HEx H 1 3.007 0.02 A 83 LYS HEy H 1 3.007 0.02 A 83 LYS HGy H 1 1.682 0.02 A 83 LYS HGx H 1 1.580 0.02 A 83 LYS C C 13 177.865 0.2 A 83 LYS CA C 13 58.823 0.2 A 83 LYS CB C 13 32.042 0.2 A 83 LYS CD C 13 28.991 0.2 A 83 LYS CE C 13 42.325 0.2 A 83 LYS CG C 13 25.297 0.2 A 83 LYS N N 15 119.507 0.2 A 84 ALA H H 1 7.537 0.02 A 84 ALA HA H 1 2.334 0.02 A 84 ALA HB% H 1 0.933 0.02 A 84 ALA C C 13 178.529 0.2 A 84 ALA CA C 13 54.670 0.2 A 84 ALA CB C 13 18.367 0.2 A 84 ALA N N 15 121.426 0.2 A 85 LEU H H 1 8.060 0.02 A 85 LEU HA H 1 3.614 0.02 A 85 LEU HBy H 1 1.756 0.02 A 85 LEU HBx H 1 1.507 0.02 A 85 LEU HD1% H 1 0.606 0.02 A 85 LEU HD2% H 1 0.730 0.02 A 85 LEU HG H 1 1.456 0.02 A 85 LEU C C 13 178.451 0.2 A 85 LEU CA C 13 59.172 0.2 A 85 LEU CB C 13 42.101 0.2 A 85 LEU CD1 C 13 25.946 0.2 A 85 LEU CD2 C 13 25.161 0.2 A 85 LEU CG C 13 27.114 0.2 A 85 LEU N N 15 118.323 0.2 A 86 GLU H H 1 7.606 0.02 A 86 GLU HA H 1 3.918 0.02 A 86 GLU HBy H 1 2.128 0.02 A 86 GLU HBx H 1 2.108 0.02 A 86 GLU HGy H 1 2.442 0.02 A 86 GLU HGx H 1 2.254 0.02 A 86 GLU C C 13 178.864 0.2 A 86 GLU CA C 13 58.873 0.2 A 86 GLU CB C 13 29.957 0.2 A 86 GLU CG C 13 36.452 0.2 A 86 GLU N N 15 116.613 0.2 A 87 GLN H H 1 7.789 0.02 A 87 GLN HA H 1 4.256 0.02 A 87 GLN HBy H 1 2.081 0.02 A 87 GLN HBx H 1 1.827 0.02 A 87 GLN HE21 H 1 7.737 0.02 A 87 GLN HE22 H 1 6.944 0.02 A 87 GLN HGy H 1 2.560 0.02 A 87 GLN HGx H 1 2.470 0.02 A 87 GLN C C 13 177.971 0.2 A 87 GLN CA C 13 57.449 0.2 A 87 GLN CB C 13 29.743 0.2 A 87 GLN CG C 13 34.557 0.2 A 87 GLN N N 15 114.421 0.2 A 87 GLN NE2 N 15 112.761 0.2 A 88 LEU H H 1 8.410 0.02 A 88 LEU HA H 1 4.432 0.02 A 88 LEU HBy H 1 1.510 0.02 A 88 LEU HBx H 1 1.065 0.02 A 88 LEU HD1% H 1 -0.315 0.02 A 88 LEU HD2% H 1 0.167 0.02 A 88 LEU HG H 1 0.967 0.02 A 88 LEU C C 13 177.779 0.2 A 88 LEU CA C 13 54.841 0.2 A 88 LEU CB C 13 42.214 0.2 A 88 LEU CD1 C 13 25.661 0.2 A 88 LEU CD2 C 13 21.879 0.2 A 88 LEU CG C 13 26.210 0.2 A 88 LEU N N 15 116.095 0.2 A 89 ASN H H 1 7.381 0.02 A 89 ASN HA H 1 4.552 0.02 A 89 ASN HBy H 1 3.099 0.02 A 89 ASN HBx H 1 2.965 0.02 A 89 ASN HD21 H 1 7.745 0.02 A 89 ASN HD22 H 1 6.939 0.02 A 89 ASN C C 13 176.661 0.2 A 89 ASN CA C 13 56.060 0.2 A 89 ASN CB C 13 37.954 0.2 A 89 ASN N N 15 116.878 0.2 A 89 ASN ND2 N 15 113.959 0.2 A 90 GLY H H 1 9.105 0.02 A 90 GLY HAy H 1 4.342 0.02 A 90 GLY HAx H 1 3.569 0.02 A 90 GLY C C 13 173.213 0.2 A 90 GLY CA C 13 45.537 0.2 A 90 GLY N N 15 118.920 0.2 A 91 PHE H H 1 8.206 0.02 A 91 PHE HA H 1 4.220 0.02 A 91 PHE HBx H 1 3.102 0.02 A 91 PHE HBy H 1 3.182 0.02 A 91 PHE HD1 H 1 7.116 0.02 A 91 PHE HD2 H 1 7.116 0.02 A 91 PHE HE1 H 1 7.281 0.02 A 91 PHE HE2 H 1 7.281 0.02 A 91 PHE HZ H 1 7.271 0.02 A 91 PHE C C 13 175.398 0.2 A 91 PHE CA C 13 58.815 0.2 A 91 PHE CB C 13 40.535 0.2 A 91 PHE CD1 C 13 132.034 0.2 A 91 PHE CD2 C 13 132.034 0.2 A 91 PHE CE1 C 13 131.406 0.2 A 91 PHE CE2 C 13 131.406 0.2 A 91 PHE CZ C 13 129.659 0.2 A 91 PHE N N 15 123.944 0.2 A 92 GLU H H 1 7.942 0.02 A 92 GLU HA H 1 3.868 0.02 A 92 GLU HBy H 1 1.642 0.02 A 92 GLU HBx H 1 1.404 0.02 A 92 GLU HGy H 1 2.047 0.02 A 92 GLU HGx H 1 1.598 0.02 A 92 GLU C C 13 173.725 0.2 A 92 GLU CA C 13 56.834 0.2 A 92 GLU CB C 13 29.771 0.2 A 92 GLU CG C 13 36.831 0.2 A 92 GLU N N 15 127.672 0.2 A 93 LEU H H 1 7.976 0.02 A 93 LEU HA H 1 4.482 0.02 A 93 LEU HBy H 1 1.873 0.02 A 93 LEU HBx H 1 1.508 0.02 A 93 LEU HD1% H 1 1.065 0.02 A 93 LEU HD2% H 1 0.998 0.02 A 93 LEU HG H 1 1.620 0.02 A 93 LEU C C 13 175.866 0.2 A 93 LEU CA C 13 53.723 0.2 A 93 LEU CB C 13 43.685 0.2 A 93 LEU CD1 C 13 24.501 0.2 A 93 LEU CD2 C 13 26.149 0.2 A 93 LEU CG C 13 27.327 0.2 A 93 LEU N N 15 128.016 0.2 A 94 ALA H H 1 9.401 0.02 A 94 ALA HA H 1 3.897 0.02 A 94 ALA HB% H 1 1.285 0.02 A 94 ALA C C 13 177.473 0.2 A 94 ALA CA C 13 52.804 0.2 A 94 ALA CB C 13 17.161 0.2 A 94 ALA N N 15 131.584 0.2 A 95 GLY H H 1 8.360 0.02 A 95 GLY HAx H 1 3.590 0.02 A 95 GLY HAy H 1 4.111 0.02 A 95 GLY C C 13 173.875 0.2 A 95 GLY CA C 13 45.349 0.2 A 95 GLY N N 15 101.901 0.2 A 96 ARG H H 1 7.631 0.02 A 96 ARG HA H 1 4.997 0.02 A 96 ARG HBy H 1 1.890 0.02 A 96 ARG HBx H 1 1.746 0.02 A 96 ARG HDy H 1 2.970 0.02 A 96 ARG HDx H 1 2.940 0.02 A 96 ARG HGy H 1 1.580 0.02 A 96 ARG HGx H 1 1.553 0.02 A 96 ARG CA C 13 52.674 0.2 A 96 ARG CB C 13 32.510 0.2 A 96 ARG CD C 13 43.344 0.2 A 96 ARG CG C 13 26.748 0.2 A 96 ARG N N 15 120.448 0.2 A 97 PRO HA H 1 4.255 0.02 A 97 PRO HBy H 1 2.131 0.02 A 97 PRO HBx H 1 1.847 0.02 A 97 PRO HDy H 1 3.904 0.02 A 97 PRO HDx H 1 3.730 0.02 A 97 PRO HGy H 1 2.186 0.02 A 97 PRO HGx H 1 1.971 0.02 A 97 PRO C C 13 176.184 0.2 A 97 PRO CA C 13 62.810 0.2 A 97 PRO CB C 13 31.613 0.2 A 97 PRO CD C 13 51.364 0.2 A 97 PRO CG C 13 27.703 0.2 A 98 MET H H 1 8.997 0.02 A 98 MET HA H 1 4.545 0.02 A 98 MET HBy H 1 2.321 0.02 A 98 MET HBx H 1 2.304 0.02 A 98 MET HE% H 1 2.006 0.02 A 98 MET HGy H 1 2.741 0.02 A 98 MET HGx H 1 2.676 0.02 A 98 MET C C 13 176.080 0.2 A 98 MET CA C 13 56.228 0.2 A 98 MET CB C 13 35.326 0.2 A 98 MET CE C 13 17.128 0.2 A 98 MET CG C 13 31.113 0.2 A 98 MET N N 15 127.177 0.2 A 99 LYS H H 1 8.126 0.02 A 99 LYS HA H 1 4.912 0.02 A 99 LYS HBx H 1 1.655 0.02 A 99 LYS HBy H 1 1.684 0.02 A 99 LYS HDx H 1 1.769 0.02 A 99 LYS HDy H 1 1.797 0.02 A 99 LYS HEy H 1 2.958 0.02 A 99 LYS HEx H 1 2.950 0.02 A 99 LYS HGy H 1 1.428 0.02 A 99 LYS HGx H 1 1.418 0.02 A 99 LYS C C 13 174.785 0.2 A 99 LYS CA C 13 54.663 0.2 A 99 LYS CB C 13 34.046 0.2 A 99 LYS CD C 13 28.975 0.2 A 99 LYS CE C 13 42.220 0.2 A 99 LYS CG C 13 25.165 0.2 A 99 LYS N N 15 125.045 0.2 A 100 VAL H H 1 8.520 0.02 A 100 VAL HA H 1 5.353 0.02 A 100 VAL HB H 1 1.808 0.02 A 100 VAL HG1% H 1 1.080 0.02 A 100 VAL HG2% H 1 1.065 0.02 A 100 VAL C C 13 175.147 0.2 A 100 VAL CA C 13 60.351 0.2 A 100 VAL CB C 13 34.642 0.2 A 100 VAL CG1 C 13 23.459 0.2 A 100 VAL CG2 C 13 22.902 0.2 A 100 VAL N N 15 124.729 0.2 A 101 GLY H H 1 9.158 0.02 A 101 GLY HAy H 1 4.505 0.02 A 101 GLY HAx H 1 3.918 0.02 A 101 GLY C C 13 172.075 0.2 A 101 GLY CA C 13 45.075 0.2 A 101 GLY N N 15 111.641 0.2 A 102 HIS H H 1 8.662 0.02 A 102 HIS HA H 1 4.935 0.02 A 102 HIS HBy H 1 3.205 0.02 A 102 HIS HBx H 1 2.978 0.02 A 102 HIS HD2 H 1 7.129 0.02 A 102 HIS C C 13 176.175 0.2 A 102 HIS CA C 13 56.592 0.2 A 102 HIS CB C 13 31.257 0.2 A 102 HIS CD2 C 13 120.644 0.2 A 102 HIS N N 15 118.187 0.2 A 103 VAL H H 1 8.634 0.02 A 103 VAL HA H 1 4.276 0.02 A 103 VAL HB H 1 2.160 0.02 A 103 VAL HG1% H 1 0.983 0.02 A 103 VAL HG2% H 1 1.039 0.02 A 103 VAL C C 13 176.016 0.2 A 103 VAL CA C 13 62.556 0.2 A 103 VAL CB C 13 32.748 0.2 A 103 VAL CG1 C 13 21.858 0.2 A 103 VAL CG2 C 13 21.286 0.2 A 103 VAL N N 15 120.252 0.2 A 104 THR H H 1 8.289 0.02 A 104 THR HA H 1 4.283 0.02 A 104 THR HB H 1 4.171 0.02 A 104 THR HG2% H 1 1.132 0.02 A 104 THR C C 13 174.331 0.2 A 104 THR CA C 13 61.725 0.2 A 104 THR CB C 13 69.676 0.2 A 104 THR CG2 C 13 21.686 0.2 A 104 THR N N 15 117.989 0.2 A 105 GLU H H 1 8.233 0.02 A 105 GLU HA H 1 4.277 0.02 A 105 GLU HBy H 1 2.011 0.02 A 105 GLU HBx H 1 1.852 0.02 A 105 GLU HGy H 1 2.222 0.02 A 105 GLU HGx H 1 2.195 0.02 A 105 GLU C C 13 176.003 0.2 A 105 GLU CA C 13 56.386 0.2 A 105 GLU CB C 13 30.256 0.2 A 105 GLU CG C 13 36.144 0.2 A 105 GLU N N 15 123.328 0.2 A 106 ARG H H 1 8.256 0.02 A 106 ARG HA H 1 4.319 0.02 A 106 ARG HBy H 1 1.821 0.02 A 106 ARG HBx H 1 1.662 0.02 A 106 ARG HDx H 1 3.074 0.02 A 106 ARG HDy H 1 3.112 0.02 A 106 ARG HGy H 1 1.573 0.02 A 106 ARG HGx H 1 1.543 0.02 A 106 ARG C C 13 176.257 0.2 A 106 ARG CA C 13 56.092 0.2 A 106 ARG CB C 13 31.102 0.2 A 106 ARG CD C 13 43.262 0.2 A 106 ARG CG C 13 26.974 0.2 A 106 ARG N N 15 121.678 0.2 A 107 THR H H 1 8.304 0.02 A 107 THR HA H 1 4.356 0.02 A 107 THR HB H 1 4.255 0.02 A 107 THR HG2% H 1 1.104 0.02 A 107 THR C C 13 173.472 0.2 A 107 THR CA C 13 61.245 0.2 A 107 THR CB C 13 69.847 0.2 A 107 THR CG2 C 13 21.364 0.2 A 107 THR N N 15 115.148 0.2 A 108 ASP H H 1 8.005 0.02 A 108 ASP HA H 1 4.353 0.02 A 108 ASP HBy H 1 2.630 0.02 A 108 ASP HBx H 1 2.590 0.02 A 108 ASP CA C 13 55.592 0.2 A 108 ASP CB C 13 42.176 0.2 A 108 ASP N N 15 127.914 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 10 HIS HA A 11 MET H 1.0 1.8 5.0 2 2 A 11 MET HA A 12 ALA H 1.0 1.8 5.0 3 3 A 11 MET HA A 12 ALA HB% 1.0 1.8 5.0 4 4 A 12 ALA H A 11 MET HBy 1.0 1.8 5.0 5 5 A 12 ALA H A 11 MET HBx 1.0 1.8 5.0 6 6 A 12 ALA HA A 13 ALA H 1.0 1.8 5.0 7 7 A 12 ALA HB% A 13 ALA H 1.0 1.8 5.0 8 8 A 13 ALA HA A 14 ALA H 1.0 1.8 5.0 9 9 A 14 ALA H A 13 ALA HB% 1.0 1.8 5.0 10 10 A 14 ALA HA A 15 MET H 1.0 1.8 5.0 11 11 A 15 MET H A 14 ALA HB% 1.0 1.8 5.0 12 12 A 14 ALA HB% A 15 MET HA 1.0 1.8 5.0 13 13 A 15 MET HA A 16 ALA H 1.0 1.8 3.5 14 14 A 16 ALA H A 15 MET HBy 1.0 1.8 5.0 15 15 A 16 ALA H A 15 MET HBx 1.0 1.8 5.0 16 16 A 16 ALA HA A 15 MET HBx 1.0 1.8 5.0 17 16 A 15 MET HBy A 16 ALA HA 1.0 1.8 5.0 18 17 A 16 ALA H A 17 ASN H 1.0 1.8 5.0 19 18 A 16 ALA HA A 17 ASN H 1.0 1.8 5.0 20 19 A 17 ASN H A 16 ALA HB% 1.0 1.8 5.0 21 20 A 17 ASN H A 18 ASN H 1.0 1.8 5.0 22 21 A 18 ASN H A 17 ASN HA 1.0 1.8 5.0 23 22 A 18 ASN H A 17 ASN HBy 1.0 1.8 5.0 24 23 A 18 ASN H A 17 ASN HBx 1.0 1.8 5.0 25 24 A 18 ASN HA A 20 GLN H 1.0 1.8 5.0 26 25 A 19 LEU H A 18 ASN HBy 1.0 1.8 5.0 27 25 A 18 ASN HBx A 19 LEU H 1.0 1.8 5.0 28 26 A 20 GLN H A 19 LEU H 1.0 1.8 5.0 29 27 A 19 LEU H A 20 GLN HA 1.0 1.8 5.0 30 28 A 20 GLN H A 19 LEU HA 1.0 1.8 3.5 31 29 A 20 GLN H A 19 LEU HBy 1.0 1.8 5.0 32 30 A 20 GLN H A 19 LEU HBx 1.0 1.8 5.0 33 31 A 20 GLN H A 19 LEU HD2% 1.0 1.8 5.0 34 32 A 20 GLN HA A 21 LYS H 1.0 1.8 5.0 35 33 A 21 LYS HA A 22 GLY H 1.0 1.8 5.0 36 34 A 22 GLY H A 21 LYS HBy 1.0 1.8 5.0 37 34 A 22 GLY H A 21 LYS HBx 1.0 1.8 5.0 38 35 A 21 LYS HBx A 22 GLY HAx 1.0 1.8 5.0 39 35 A 21 LYS HBy A 22 GLY HAx 1.0 1.8 5.0 40 35 A 22 GLY HAy A 21 LYS HBy 1.0 1.8 5.0 41 35 A 21 LYS HBx A 22 GLY HAy 1.0 1.8 5.0 42 36 A 22 GLY H A 21 LYS HGy 1.0 1.8 5.0 43 36 A 22 GLY H A 21 LYS HGx 1.0 1.8 5.0 44 37 A 22 GLY H A 23 SER H 1.0 1.8 5.0 45 38 A 23 SER H A 22 GLY HAx 1.0 1.8 5.0 46 38 A 22 GLY HAy A 23 SER H 1.0 1.8 5.0 47 39 A 23 SER HA A 24 ALA H 1.0 1.8 3.5 48 40 A 24 ALA H A 23 SER HBy 1.0 1.8 5.0 49 40 A 24 ALA H A 23 SER HBx 1.0 1.8 5.0 50 41 A 24 ALA H A 25 GLY H 1.0 1.8 5.0 51 42 A 24 ALA H A 25 GLY HAy 1.0 1.8 5.0 52 42 A 24 ALA H A 25 GLY HAx 1.0 1.8 5.0 53 43 A 25 GLY H A 24 ALA HA 1.0 1.8 5.0 54 44 A 25 GLY H A 24 ALA HB% 1.0 1.8 5.0 55 45 A 24 ALA HB% A 25 GLY HAy 1.0 1.8 5.0 56 45 A 25 GLY HAx A 24 ALA HB% 1.0 1.8 5.0 57 46 A 25 GLY H A 26 PRO HDx 1.0 1.8 5.0 58 47 A 25 GLY H A 26 PRO HDy 1.0 1.8 5.0 59 48 A 26 PRO HA A 25 GLY HAy 1.0 1.8 5.0 60 48 A 25 GLY HAx A 26 PRO HA 1.0 1.8 5.0 61 49 A 26 PRO HDx A 25 GLY HAy 1.0 1.8 5.0 62 49 A 25 GLY HAx A 26 PRO HDx 1.0 1.8 5.0 63 50 A 26 PRO HDy A 25 GLY HAy 1.0 1.8 5.0 64 50 A 25 GLY HAx A 26 PRO HDy 1.0 1.8 5.0 65 51 A 26 PRO HA A 27 MET H 1.0 1.8 5.0 66 52 A 26 PRO HA A 74 THR HG2% 1.0 1.8 5.0 67 53 A 26 PRO HA A 76 SER HA 1.0 1.8 5.0 68 54 A 27 MET H A 26 PRO HBy 1.0 1.8 5.0 69 55 A 27 MET H A 26 PRO HBx 1.0 1.8 5.0 70 56 A 74 THR HG2% A 26 PRO HBy 1.0 1.8 5.0 71 57 A 74 THR HG2% A 26 PRO HBx 1.0 1.8 5.0 72 58 A 76 SER HA A 26 PRO HBy 1.0 1.8 5.0 73 59 A 76 SER HA A 26 PRO HBx 1.0 1.8 5.0 74 60 A 74 THR HG2% A 26 PRO HGy 1.0 1.8 5.0 75 61 A 74 THR HG2% A 26 PRO HGx 1.0 1.8 5.0 76 62 A 27 MET H A 28 ARG H 1.0 1.8 5.0 77 63 A 27 MET H A 74 THR HA 1.0 1.8 5.0 78 64 A 27 MET H A 74 THR HG2% 1.0 1.8 5.0 79 65 A 27 MET H A 75 PHE H 1.0 1.8 5.0 80 66 A 27 MET H A 75 PHE HBx 1.0 1.8 5.0 81 66 A 27 MET H A 75 PHE HBy 1.0 1.8 5.0 82 67 A 27 MET H A 77 ASP H 1.0 1.8 5.0 83 68 A 27 MET H A 78 SER H 1.0 1.8 5.0 84 69 A 27 MET H A 78 SER HA 1.0 1.8 5.0 85 70 A 27 MET H A 81 ALA HB% 1.0 1.8 5.0 86 71 A 28 ARG H A 27 MET HA 1.0 1.8 3.5 87 72 A 74 THR HG2% A 27 MET HA 1.0 1.8 5.0 88 73 A 75 PHE H A 27 MET HA 1.0 1.8 5.0 89 74 A 28 ARG H A 27 MET HBx 1.0 1.8 5.0 90 74 A 28 ARG H A 27 MET HBy 1.0 1.8 5.0 91 75 A 78 SER H A 27 MET HBx 1.0 1.8 5.0 92 75 A 78 SER H A 27 MET HBy 1.0 1.8 5.0 93 76 A 78 SER HA A 27 MET HBx 1.0 1.8 5.0 94 76 A 78 SER HA A 27 MET HBy 1.0 1.8 5.0 95 77 A 27 MET HBy A 78 SER HBx 1.0 1.8 5.0 96 77 A 27 MET HBy A 78 SER HBy 1.0 1.8 5.0 97 78 A 78 SER HBx A 27 MET HBx 1.0 1.8 5.0 98 78 A 27 MET HBx A 78 SER HBy 1.0 1.8 5.0 99 79 A 81 ALA H A 27 MET HBx 1.0 1.8 5.0 100 79 A 27 MET HBy A 81 ALA H 1.0 1.8 5.0 101 80 A 81 ALA HB% A 27 MET HBy 1.0 1.8 5.0 102 81 A 81 ALA HB% A 27 MET HBx 1.0 1.8 5.0 103 82 A 28 ARG H A 27 MET HGy 1.0 1.8 5.0 104 83 A 28 ARG H A 27 MET HGx 1.0 1.8 5.0 105 84 A 27 MET HGy A 29 LEU HD2% 1.0 1.8 5.0 106 85 A 27 MET HGx A 29 LEU HD2% 1.0 1.8 5.0 107 86 A 81 ALA HB% A 27 MET HGy 1.0 1.8 5.0 108 87 A 81 ALA HB% A 27 MET HGx 1.0 1.8 5.0 109 88 A 28 ARG H A 27 MET HE% 1.0 1.8 5.0 110 89 A 29 LEU HD2% A 27 MET HE% 1.0 1.8 5.0 111 90 A 27 MET HE% A 78 SER HBy 1.0 1.8 5.0 112 90 A 78 SER HBx A 27 MET HE% 1.0 1.8 5.0 113 91 A 81 ALA HB% A 27 MET HE% 1.0 1.8 5.0 114 92 A 27 MET HE% A 102 HIS H 1.0 1.8 5.0 115 93 A 27 MET HE% A 102 HIS HBy 1.0 1.8 5.0 116 93 A 27 MET HE% A 102 HIS HBx 1.0 1.8 5.0 117 94 A 27 MET HE% A 102 HIS HD2 1.0 1.8 5.0 118 95 A 28 ARG H A 29 LEU H 1.0 1.8 5.0 119 96 A 28 ARG H A 29 LEU HD2% 1.0 1.8 5.0 120 97 A 28 ARG H A 103 VAL HG2% 1.0 1.8 5.0 121 98 A 29 LEU H A 28 ARG HA 1.0 1.8 3.5 122 99 A 28 ARG HA A 73 ILE H 1.0 1.8 5.0 123 100 A 28 ARG HA A 74 THR H 1.0 1.8 5.0 124 101 A 74 THR HA A 28 ARG HA 1.0 1.8 5.0 125 102 A 74 THR HG2% A 28 ARG HA 1.0 1.8 5.0 126 103 A 75 PHE H A 28 ARG HA 1.0 1.8 5.0 127 104 A 103 VAL HG2% A 28 ARG HBy 1.0 1.8 5.0 128 105 A 103 VAL HG2% A 28 ARG HBx 1.0 1.8 5.0 129 106 A 28 ARG HE A 28 ARG HGx 1.0 1.8 5.0 130 106 A 28 ARG HGy A 28 ARG HE 1.0 1.8 5.0 131 107 A 29 LEU H A 28 ARG HGy 1.0 1.8 5.0 132 108 A 29 LEU H A 28 ARG HGx 1.0 1.8 5.0 133 109 A 28 ARG HGy A 72 PHE HBy 1.0 1.8 5.0 134 109 A 28 ARG HGy A 72 PHE HBx 1.0 1.8 5.0 135 110 A 72 PHE HBy A 28 ARG HGx 1.0 1.8 5.0 136 110 A 28 ARG HGx A 72 PHE HBx 1.0 1.8 5.0 137 111 A 72 PHE HD% A 28 ARG HGx 1.0 1.8 5.0 138 111 A 28 ARG HGy A 72 PHE HD% 1.0 1.8 5.0 139 112 A 74 THR H A 28 ARG HGx 1.0 1.8 5.0 140 112 A 74 THR H A 28 ARG HGy 1.0 1.8 5.0 141 113 A 74 THR HA A 28 ARG HGx 1.0 1.8 5.0 142 113 A 74 THR HA A 28 ARG HGy 1.0 1.8 5.0 143 114 A 103 VAL HG2% A 28 ARG HGx 1.0 1.8 5.0 144 114 A 103 VAL HG2% A 28 ARG HGy 1.0 1.8 5.0 145 115 A 72 PHE HBy A 28 ARG HDx 1.0 1.8 5.0 146 115 A 28 ARG HDx A 72 PHE HBx 1.0 1.8 5.0 147 116 A 72 PHE HBy A 28 ARG HDy 1.0 1.8 5.0 148 116 A 28 ARG HDy A 72 PHE HBx 1.0 1.8 5.0 149 117 A 72 PHE HD% A 28 ARG HDy 1.0 1.8 5.0 150 117 A 72 PHE HD% A 28 ARG HDx 1.0 1.8 5.0 151 118 A 103 VAL HG1% A 28 ARG HDy 1.0 1.8 5.0 152 118 A 28 ARG HDx A 103 VAL HG1% 1.0 1.8 5.0 153 119 A 29 LEU H A 72 PHE HA 1.0 1.8 5.0 154 120 A 29 LEU H A 72 PHE HBx 1.0 1.8 5.0 155 120 A 29 LEU H A 72 PHE HBy 1.0 1.8 5.0 156 121 A 29 LEU H A 72 PHE HD% 1.0 1.8 5.0 157 122 A 29 LEU H A 73 ILE H 1.0 1.8 5.0 158 123 A 29 LEU H A 73 ILE HA 1.0 1.8 5.0 159 124 A 29 LEU H A 73 ILE HB 1.0 1.8 5.0 160 125 A 29 LEU H A 73 ILE HG2% 1.0 1.8 5.0 161 126 A 74 THR HA A 29 LEU H 1.0 1.8 5.0 162 127 A 75 PHE H A 29 LEU H 1.0 1.8 5.0 163 128 A 29 LEU H A 75 PHE HD% 1.0 1.8 5.0 164 129 A 29 LEU HA A 30 TYR H 1.0 1.8 3.5 165 130 A 29 LEU HA A 30 TYR HBx 1.0 1.8 5.0 166 130 A 29 LEU HA A 30 TYR HBy 1.0 1.8 5.0 167 131 A 103 VAL HG2% A 29 LEU HA 1.0 1.8 5.0 168 132 A 30 TYR H A 29 LEU HBy 1.0 1.8 5.0 169 133 A 30 TYR H A 29 LEU HBx 1.0 1.8 5.0 170 134 A 31 VAL HG2% A 29 LEU HBx 1.0 1.8 5.0 171 134 A 29 LEU HBy A 31 VAL HG2% 1.0 1.8 5.0 172 135 A 73 ILE H A 29 LEU HBy 1.0 1.8 5.0 173 136 A 73 ILE H A 29 LEU HBx 1.0 1.8 5.0 174 137 A 73 ILE HB A 29 LEU HBy 1.0 1.8 5.0 175 138 A 73 ILE HB A 29 LEU HBx 1.0 1.8 5.0 176 139 A 73 ILE HG2% A 29 LEU HBx 1.0 1.8 5.0 177 139 A 73 ILE HG2% A 29 LEU HBy 1.0 1.8 5.0 178 140 A 85 LEU HD1% A 29 LEU HBx 1.0 1.8 5.0 179 140 A 29 LEU HBy A 85 LEU HD1% 1.0 1.8 5.0 180 141 A 73 ILE HG2% A 29 LEU HG 1.0 1.8 5.0 181 142 A 75 PHE HD% A 29 LEU HG 1.0 1.8 5.0 182 143 A 29 LEU HG A 81 ALA HA 1.0 1.8 5.0 183 144 A 81 ALA HB% A 29 LEU HG 1.0 1.8 5.0 184 145 A 29 LEU HD2% A 30 TYR H 1.0 1.8 5.0 185 146 A 29 LEU HD1% A 47 PHE HE% 1.0 1.8 5.0 186 147 A 29 LEU HD1% A 47 PHE HZ 1.0 1.8 5.0 187 148 A 73 ILE HG2% A 29 LEU HD1% 1.0 1.8 5.0 188 149 A 75 PHE HD% A 29 LEU HD1% 1.0 1.8 5.0 189 150 A 29 LEU HD2% A 75 PHE HD% 1.0 1.8 5.0 190 151 A 29 LEU HD1% A 75 PHE HE% 1.0 1.8 5.0 191 152 A 81 ALA H A 29 LEU HD1% 1.0 1.8 5.0 192 153 A 81 ALA HA A 29 LEU HD1% 1.0 1.8 5.0 193 154 A 29 LEU HD2% A 81 ALA HA 1.0 1.8 5.0 194 155 A 81 ALA HB% A 29 LEU HD1% 1.0 1.8 5.0 195 156 A 81 ALA HB% A 29 LEU HD2% 1.0 1.8 5.0 196 157 A 29 LEU HD1% A 82 LYS H 1.0 1.8 5.0 197 158 A 29 LEU HD2% A 82 LYS H 1.0 1.8 5.0 198 159 A 29 LEU HD1% A 82 LYS HA 1.0 1.8 5.0 199 160 A 29 LEU HD1% A 85 LEU H 1.0 1.8 5.0 200 161 A 29 LEU HD1% A 85 LEU HA 1.0 1.8 5.0 201 162 A 29 LEU HD1% A 85 LEU HBy 1.0 1.8 5.0 202 163 A 29 LEU HD1% A 85 LEU HBx 1.0 1.8 5.0 203 164 A 29 LEU HD2% A 85 LEU HD1% 1.0 1.8 5.0 204 165 A 29 LEU HD1% A 100 VAL HG1% 1.0 1.8 5.0 205 166 A 29 LEU HD2% A 100 VAL HG1% 1.0 1.8 5.0 206 167 A 29 LEU HD2% A 102 HIS H 1.0 1.8 5.0 207 168 A 29 LEU HD2% A 102 HIS HA 1.0 1.8 5.0 208 169 A 29 LEU HD2% A 102 HIS HBy 1.0 1.8 5.0 209 169 A 29 LEU HD2% A 102 HIS HBx 1.0 1.8 5.0 210 170 A 30 TYR H A 31 VAL H 1.0 1.8 5.0 211 171 A 30 TYR H A 100 VAL HG1% 1.0 1.8 5.0 212 172 A 30 TYR H A 101 GLY H 1.0 1.8 5.0 213 173 A 30 TYR H A 102 HIS HA 1.0 1.8 4.0 214 174 A 30 TYR H A 103 VAL H 1.0 1.8 5.0 215 175 A 30 TYR H A 103 VAL HA 1.0 1.8 5.0 216 176 A 103 VAL HG2% A 30 TYR H 1.0 1.8 5.0 217 177 A 31 VAL H A 30 TYR HA 1.0 1.8 5.0 218 178 A 72 PHE HA A 30 TYR HA 1.0 1.8 5.0 219 179 A 30 TYR HA A 72 PHE HBx 1.0 1.8 5.0 220 179 A 72 PHE HBy A 30 TYR HA 1.0 1.8 5.0 221 180 A 72 PHE HD% A 30 TYR HA 1.0 1.8 5.0 222 181 A 30 TYR HA A 72 PHE HE% 1.0 1.8 5.0 223 182 A 73 ILE H A 30 TYR HA 1.0 1.8 5.0 224 183 A 30 TYR HBy A 31 VAL H 1.0 1.8 5.0 225 184 A 31 VAL H A 30 TYR HBx 1.0 1.8 5.0 226 185 A 30 TYR HE% A 30 TYR HBx 1.0 1.8 5.0 227 185 A 30 TYR HBy A 30 TYR HE% 1.0 1.8 5.0 228 186 A 72 PHE HD% A 30 TYR HBx 1.0 1.8 5.0 229 186 A 72 PHE HD% A 30 TYR HBy 1.0 1.8 5.0 230 187 A 30 TYR HBy A 72 PHE HE% 1.0 1.8 5.0 231 188 A 72 PHE HE% A 30 TYR HBx 1.0 1.8 5.0 232 189 A 30 TYR HBy A 101 GLY H 1.0 1.8 5.0 233 190 A 101 GLY H A 30 TYR HBx 1.0 1.8 5.0 234 191 A 30 TYR HBx A 101 GLY HAy 1.0 1.8 5.0 235 191 A 101 GLY HAx A 30 TYR HBx 1.0 1.8 5.0 236 191 A 30 TYR HBy A 101 GLY HAx 1.0 1.8 5.0 237 191 A 30 TYR HBy A 101 GLY HAy 1.0 1.8 5.0 238 192 A 70 TYR HD% A 71 GLY H 1.0 1.8 5.0 239 193 A 31 VAL H A 32 GLY H 1.0 1.8 5.0 240 194 A 31 VAL H A 71 GLY H 1.0 1.8 5.0 241 195 A 31 VAL H A 71 GLY HAy 1.0 1.8 5.0 242 195 A 31 VAL H A 71 GLY HAx 1.0 1.8 5.0 243 196 A 72 PHE HA A 31 VAL H 1.0 1.8 5.0 244 197 A 72 PHE HD% A 31 VAL H 1.0 1.8 5.0 245 198 A 73 ILE H A 31 VAL H 1.0 1.8 5.0 246 199 A 31 VAL H A 100 VAL HA 1.0 1.8 5.0 247 200 A 32 GLY H A 31 VAL HA 1.0 1.8 2.9 248 201 A 100 VAL HA A 31 VAL HA 1.0 1.8 5.0 249 202 A 31 VAL HA A 100 VAL HG2% 1.0 1.8 5.0 250 203 A 101 GLY H A 31 VAL HA 1.0 1.8 5.0 251 204 A 32 GLY H A 31 VAL HB 1.0 1.8 5.0 252 205 A 71 GLY H A 31 VAL HB 1.0 1.8 5.0 253 206 A 72 PHE HA A 31 VAL HB 1.0 1.8 5.0 254 207 A 31 VAL HB A 73 ILE HG1y 1.0 1.8 5.0 255 207 A 31 VAL HB A 73 ILE HG1x 1.0 1.8 5.0 256 208 A 31 VAL HB A 73 ILE HD1% 1.0 1.8 5.0 257 209 A 100 VAL HG1% A 31 VAL HB 1.0 1.8 5.0 258 210 A 32 GLY H A 31 VAL HG1% 1.0 1.8 5.0 259 211 A 31 VAL HG2% A 32 GLY H 1.0 1.8 5.0 260 212 A 31 VAL HG1% A 32 GLY HAy 1.0 1.8 5.0 261 212 A 31 VAL HG1% A 32 GLY HAx 1.0 1.8 5.0 262 213 A 31 VAL HG1% A 33 SER H 1.0 1.8 5.0 263 214 A 31 VAL HG1% A 34 LEU HD1% 1.0 1.8 5.0 264 215 A 31 VAL HG1% A 34 LEU HD2% 1.0 1.8 5.0 265 216 A 31 VAL HG1% A 43 LEU HBx 1.0 1.8 5.0 266 216 A 31 VAL HG1% A 43 LEU HBy 1.0 1.8 5.0 267 217 A 31 VAL HG1% A 43 LEU HD1% 1.0 1.8 5.0 268 218 A 31 VAL HG1% A 43 LEU HD2% 1.0 1.8 5.0 269 219 A 47 PHE HZ A 31 VAL HG1% 1.0 1.8 5.0 270 220 A 31 VAL HG2% A 47 PHE HZ 1.0 1.8 5.0 271 221 A 31 VAL HG1% A 70 TYR HA 1.0 1.8 5.0 272 222 A 71 GLY H A 31 VAL HG1% 1.0 1.8 5.0 273 223 A 72 PHE HA A 31 VAL HG2% 1.0 1.8 5.0 274 224 A 73 ILE H A 31 VAL HG2% 1.0 1.8 5.0 275 225 A 73 ILE HG2% A 31 VAL HG2% 1.0 1.8 5.0 276 226 A 73 ILE HD1% A 31 VAL HG1% 1.0 1.8 5.0 277 227 A 31 VAL HG2% A 73 ILE HD1% 1.0 1.8 5.0 278 228 A 31 VAL HG1% A 98 MET HA 1.0 1.8 5.0 279 229 A 31 VAL HG1% A 98 MET HGy 1.0 1.8 5.0 280 230 A 31 VAL HG1% A 98 MET HGx 1.0 1.8 5.0 281 231 A 31 VAL HG1% A 99 LYS H 1.0 1.8 5.0 282 232 A 31 VAL HG1% A 100 VAL H 1.0 1.8 5.0 283 233 A 100 VAL HA A 31 VAL HG1% 1.0 1.8 5.0 284 234 A 31 VAL HG2% A 100 VAL HA 1.0 1.8 5.0 285 235 A 100 VAL HG1% A 31 VAL HG1% 1.0 1.8 5.0 286 236 A 100 VAL HG2% A 31 VAL HG1% 1.0 1.8 5.0 287 237 A 31 VAL HG2% A 100 VAL HG1% 1.0 1.8 5.0 288 238 A 31 VAL HG2% A 101 GLY H 1.0 1.8 5.0 289 239 A 32 GLY H A 98 MET HGx 1.0 1.8 5.0 290 239 A 32 GLY H A 98 MET HGy 1.0 1.8 5.0 291 240 A 32 GLY H A 99 LYS H 1.0 1.8 5.0 292 241 A 32 GLY H A 99 LYS HBy 1.0 1.8 5.0 293 241 A 32 GLY H A 99 LYS HBx 1.0 1.8 5.0 294 242 A 32 GLY H A 99 LYS HGy 1.0 1.8 5.0 295 242 A 32 GLY H A 99 LYS HGx 1.0 1.8 5.0 296 243 A 32 GLY H A 100 VAL HA 1.0 1.8 5.0 297 244 A 32 GLY H A 100 VAL HG2% 1.0 1.8 5.0 298 245 A 70 TYR HD% A 32 GLY HAy 1.0 1.8 5.0 299 246 A 70 TYR HD% A 32 GLY HAx 1.0 1.8 5.0 300 247 A 33 SER H A 32 GLY HAy 1.0 1.8 3.5 301 248 A 32 GLY HAx A 33 SER H 1.0 1.8 3.5 302 249 A 34 LEU H A 32 GLY HAy 1.0 1.8 5.0 303 250 A 32 GLY HAx A 34 LEU H 1.0 1.8 5.0 304 251 A 34 LEU HG A 32 GLY HAy 1.0 1.8 5.0 305 252 A 70 TYR H A 32 GLY HAy 1.0 1.8 5.0 306 253 A 32 GLY HAx A 70 TYR HA 1.0 1.8 5.0 307 254 A 70 TYR HBy A 32 GLY HAy 1.0 1.8 5.0 308 255 A 32 GLY HAy A 70 TYR HBx 1.0 1.8 5.0 309 256 A 32 GLY HAx A 70 TYR HBy 1.0 1.8 5.0 310 257 A 32 GLY HAx A 70 TYR HBx 1.0 1.8 5.0 311 258 A 71 GLY H A 32 GLY HAy 1.0 1.8 5.0 312 259 A 71 GLY H A 32 GLY HAx 1.0 1.8 5.0 313 260 A 32 GLY HAx A 99 LYS HBy 1.0 1.8 5.0 314 260 A 32 GLY HAy A 99 LYS HBy 1.0 1.8 5.0 315 260 A 99 LYS HBx A 32 GLY HAy 1.0 1.8 5.0 316 260 A 32 GLY HAx A 99 LYS HBx 1.0 1.8 5.0 317 261 A 33 SER H A 34 LEU H 1.0 1.8 3.5 318 262 A 33 SER H A 34 LEU HG 1.0 1.8 5.0 319 263 A 33 SER H A 34 LEU HD1% 1.0 1.8 5.0 320 264 A 33 SER H A 34 LEU HD2% 1.0 1.8 5.0 321 265 A 33 SER H A 70 TYR HA 1.0 1.8 5.0 322 266 A 33 SER H A 99 LYS HBy 1.0 1.8 5.0 323 266 A 33 SER H A 99 LYS HBx 1.0 1.8 5.0 324 267 A 34 LEU H A 33 SER HA 1.0 1.8 5.0 325 268 A 99 LYS H A 33 SER HA 1.0 1.8 5.0 326 269 A 33 SER HA A 99 LYS HBy 1.0 1.8 5.0 327 269 A 99 LYS HBx A 33 SER HA 1.0 1.8 5.0 328 270 A 34 LEU H A 33 SER HBy 1.0 1.8 5.0 329 270 A 34 LEU H A 33 SER HBx 1.0 1.8 5.0 330 271 A 99 LYS H A 33 SER HBy 1.0 1.8 5.0 331 271 A 99 LYS H A 33 SER HBx 1.0 1.8 5.0 332 272 A 99 LYS HBx A 33 SER HBx 1.0 1.8 5.0 333 272 A 99 LYS HBx A 33 SER HBy 1.0 1.8 5.0 334 273 A 33 SER HBy A 99 LYS HGy 1.0 1.8 5.0 335 273 A 99 LYS HGx A 33 SER HBy 1.0 1.8 5.0 336 273 A 99 LYS HGx A 33 SER HBx 1.0 1.8 5.0 337 273 A 33 SER HBx A 99 LYS HGy 1.0 1.8 5.0 338 274 A 34 LEU H A 35 HIS H 1.0 1.8 5.0 339 275 A 34 LEU H A 69 GLY HAy 1.0 1.8 5.0 340 276 A 34 LEU H A 69 GLY HAx 1.0 1.8 5.0 341 277 A 70 TYR HA A 34 LEU H 1.0 1.8 5.0 342 278 A 35 HIS H A 34 LEU HA 1.0 1.8 3.5 343 279 A 34 LEU HA A 35 HIS HBx 1.0 1.8 5.0 344 279 A 34 LEU HA A 35 HIS HBy 1.0 1.8 5.0 345 280 A 34 LEU HA A 35 HIS HD2 1.0 1.8 5.0 346 281 A 35 HIS H A 34 LEU HBx 1.0 1.8 5.0 347 281 A 35 HIS H A 34 LEU HBy 1.0 1.8 5.0 348 282 A 38 ILE HB A 34 LEU HBx 1.0 1.8 5.0 349 282 A 34 LEU HBy A 38 ILE HB 1.0 1.8 5.0 350 283 A 34 LEU HBy A 38 ILE HG1x 1.0 1.8 5.0 351 283 A 34 LEU HBx A 38 ILE HG1x 1.0 1.8 5.0 352 283 A 38 ILE HG1y A 34 LEU HBx 1.0 1.8 5.0 353 283 A 34 LEU HBy A 38 ILE HG1y 1.0 1.8 5.0 354 284 A 38 ILE HG2% A 34 LEU HBx 1.0 1.8 5.0 355 284 A 34 LEU HBy A 38 ILE HG2% 1.0 1.8 5.0 356 285 A 34 LEU HBx A 69 GLY HAy 1.0 1.8 5.0 357 285 A 34 LEU HBy A 69 GLY HAy 1.0 1.8 5.0 358 286 A 34 LEU HBy A 69 GLY HAx 1.0 1.8 5.0 359 286 A 69 GLY HAx A 34 LEU HBx 1.0 1.8 5.0 360 287 A 70 TYR H A 34 LEU HBx 1.0 1.8 5.0 361 287 A 70 TYR H A 34 LEU HBy 1.0 1.8 5.0 362 288 A 70 TYR HA A 34 LEU HG 1.0 1.8 5.0 363 289 A 34 LEU HD2% A 35 HIS H 1.0 1.8 5.0 364 290 A 34 LEU HD1% A 38 ILE H 1.0 1.8 5.0 365 291 A 34 LEU HD1% A 38 ILE HB 1.0 1.8 5.0 366 292 A 34 LEU HD2% A 38 ILE HB 1.0 1.8 5.0 367 293 A 34 LEU HD1% A 38 ILE HG2% 1.0 1.8 5.0 368 294 A 34 LEU HD2% A 38 ILE HG2% 1.0 1.8 5.0 369 295 A 34 LEU HD1% A 43 LEU HD1% 1.0 1.8 5.0 370 296 A 34 LEU HD2% A 43 LEU HD1% 1.0 1.8 5.0 371 297 A 34 LEU HD2% A 43 LEU HD2% 1.0 1.8 5.0 372 298 A 34 LEU HD1% A 58 LEU HA 1.0 1.8 5.0 373 299 A 34 LEU HD1% A 58 LEU HBx 1.0 1.8 5.0 374 299 A 34 LEU HD1% A 58 LEU HBy 1.0 1.8 5.0 375 300 A 34 LEU HD1% A 58 LEU HD1% 1.0 1.8 5.0 376 301 A 34 LEU HD2% A 58 LEU HD2% 1.0 1.8 5.0 377 302 A 34 LEU HD1% A 69 GLY H 1.0 1.8 5.0 378 303 A 34 LEU HD1% A 69 GLY HAy 1.0 1.8 5.0 379 303 A 34 LEU HD1% A 69 GLY HAx 1.0 1.8 5.0 380 304 A 34 LEU HD2% A 69 GLY HAy 1.0 1.8 5.0 381 304 A 34 LEU HD2% A 69 GLY HAx 1.0 1.8 5.0 382 305 A 34 LEU HD1% A 70 TYR H 1.0 1.8 5.0 383 306 A 34 LEU HD1% A 70 TYR HA 1.0 1.8 5.0 384 307 A 34 LEU HD2% A 70 TYR HA 1.0 1.8 5.0 385 308 A 71 GLY H A 34 LEU HD1% 1.0 1.8 5.0 386 309 A 35 HIS H A 36 PHE H 1.0 1.8 5.0 387 310 A 35 HIS H A 37 ASN H 1.0 1.8 5.0 388 311 A 35 HIS H A 38 ILE H 1.0 1.8 5.0 389 312 A 35 HIS H A 38 ILE HB 1.0 1.8 5.0 390 313 A 35 HIS H A 38 ILE HG1y 1.0 1.8 5.0 391 314 A 35 HIS H A 38 ILE HG1x 1.0 1.8 5.0 392 315 A 35 HIS H A 38 ILE HG2% 1.0 1.8 5.0 393 316 A 35 HIS H A 38 ILE HD1% 1.0 1.8 5.0 394 317 A 35 HIS H A 94 ALA HB% 1.0 1.8 5.0 395 318 A 36 PHE H A 35 HIS HA 1.0 1.8 2.9 396 319 A 35 HIS HBy A 36 PHE H 1.0 1.8 5.0 397 320 A 36 PHE H A 35 HIS HBx 1.0 1.8 5.0 398 321 A 37 ASN H A 35 HIS HBx 1.0 1.8 5.0 399 321 A 35 HIS HBy A 37 ASN H 1.0 1.8 5.0 400 322 A 38 ILE HD1% A 35 HIS HBx 1.0 1.8 5.0 401 322 A 35 HIS HBy A 38 ILE HD1% 1.0 1.8 5.0 402 323 A 94 ALA HB% A 35 HIS HBx 1.0 1.8 5.0 403 324 A 35 HIS HBy A 96 ARG HDx 1.0 1.8 5.0 404 325 A 96 ARG HDy A 35 HIS HBx 1.0 1.8 5.0 405 326 A 96 ARG HDx A 35 HIS HBx 1.0 1.8 5.0 406 327 A 35 HIS HD2 A 38 ILE HG1x 1.0 1.8 5.0 407 327 A 35 HIS HD2 A 38 ILE HG1y 1.0 1.8 5.0 408 328 A 35 HIS HD2 A 38 ILE HD1% 1.0 1.8 5.0 409 329 A 35 HIS HD2 A 94 ALA HB% 1.0 1.8 5.0 410 330 A 36 PHE H A 37 ASN H 1.0 1.8 5.0 411 331 A 38 ILE H A 36 PHE H 1.0 1.8 5.0 412 332 A 37 ASN H A 36 PHE HA 1.0 1.8 5.0 413 333 A 36 PHE HA A 37 ASN HA 1.0 1.8 5.0 414 334 A 38 ILE H A 36 PHE HA 1.0 1.8 5.0 415 335 A 36 PHE HA A 67 SER HBx 1.0 1.8 5.0 416 335 A 36 PHE HA A 67 SER HBy 1.0 1.8 5.0 417 336 A 37 ASN H A 36 PHE HBy 1.0 1.8 5.0 418 336 A 37 ASN H A 36 PHE HBx 1.0 1.8 5.0 419 337 A 67 SER HBy A 36 PHE HBx 1.0 1.8 5.0 420 337 A 36 PHE HBx A 67 SER HBx 1.0 1.8 5.0 421 338 A 67 SER HBy A 36 PHE HBy 1.0 1.8 5.0 422 338 A 36 PHE HBy A 67 SER HBx 1.0 1.8 5.0 423 339 A 37 ASN H A 36 PHE HD% 1.0 1.8 5.0 424 340 A 36 PHE HD% A 67 SER H 1.0 1.8 5.0 425 341 A 37 ASN H A 38 ILE HD1% 1.0 1.8 5.0 426 342 A 38 ILE H A 37 ASN HA 1.0 1.8 3.5 427 343 A 38 ILE H A 37 ASN HBy 1.0 1.8 5.0 428 343 A 38 ILE H A 37 ASN HBx 1.0 1.8 5.0 429 344 A 38 ILE HD1% A 37 ASN HD22 1.0 1.8 5.0 430 344 A 38 ILE HD1% A 37 ASN HD21 1.0 1.8 5.0 431 345 A 38 ILE H A 39 THR H 1.0 1.8 5.0 432 346 A 39 THR H A 38 ILE HA 1.0 1.8 3.5 433 347 A 38 ILE HA A 39 THR HG2% 1.0 1.8 5.0 434 348 A 38 ILE HA A 42 MET HBx 1.0 1.8 5.0 435 348 A 38 ILE HA A 42 MET HBy 1.0 1.8 5.0 436 349 A 38 ILE HG2% A 39 THR H 1.0 1.8 5.0 437 350 A 38 ILE HG2% A 42 MET H 1.0 1.8 5.0 438 351 A 38 ILE HG2% A 42 MET HBx 1.0 1.8 5.0 439 351 A 38 ILE HG2% A 42 MET HBy 1.0 1.8 5.0 440 352 A 38 ILE HG2% A 42 MET HGy 1.0 1.8 5.0 441 352 A 38 ILE HG2% A 42 MET HGx 1.0 1.8 5.0 442 353 A 38 ILE HG2% A 43 LEU H 1.0 1.8 5.0 443 354 A 38 ILE HG2% A 43 LEU HG 1.0 1.8 5.0 444 355 A 43 LEU HD1% A 38 ILE HG2% 1.0 1.8 5.0 445 356 A 43 LEU HD2% A 38 ILE HG2% 1.0 1.8 5.0 446 357 A 38 ILE HD1% A 39 THR H 1.0 1.8 5.0 447 358 A 38 ILE HD1% A 93 LEU HBx 1.0 1.8 5.0 448 358 A 38 ILE HD1% A 93 LEU HBy 1.0 1.8 5.0 449 359 A 38 ILE HD1% A 93 LEU HD2% 1.0 1.8 5.0 450 360 A 38 ILE HD1% A 94 ALA HB% 1.0 1.8 5.0 451 361 A 42 MET H A 39 THR HG1 1.0 1.8 5.0 452 362 A 39 THR H A 40 GLU H 1.0 1.8 5.0 453 363 A 39 THR H A 41 ASP H 1.0 1.8 5.0 454 364 A 39 THR H A 42 MET H 1.0 1.8 5.0 455 365 A 39 THR H A 42 MET HBy 1.0 1.8 5.0 456 366 A 39 THR H A 42 MET HBx 1.0 1.8 5.0 457 367 A 39 THR H A 42 MET HGy 1.0 1.8 5.0 458 367 A 39 THR H A 42 MET HGx 1.0 1.8 5.0 459 368 A 43 LEU HD1% A 39 THR H 1.0 1.8 5.0 460 369 A 40 GLU H A 39 THR HA 1.0 1.8 3.5 461 370 A 39 THR HA A 40 GLU HA 1.0 1.8 5.0 462 371 A 39 THR HA A 40 GLU HBx 1.0 1.8 5.0 463 371 A 39 THR HA A 40 GLU HBy 1.0 1.8 5.0 464 372 A 41 ASP H A 39 THR HA 1.0 1.8 5.0 465 373 A 42 MET H A 39 THR HA 1.0 1.8 5.0 466 374 A 58 LEU HD1% A 39 THR HA 1.0 1.8 5.0 467 375 A 40 GLU H A 39 THR HB 1.0 1.8 2.9 468 376 A 41 ASP H A 39 THR HB 1.0 1.8 3.5 469 377 A 39 THR HG2% A 40 GLU H 1.0 1.8 5.0 470 378 A 39 THR HG2% A 41 ASP H 1.0 1.8 5.0 471 379 A 39 THR HG2% A 41 ASP HBy 1.0 1.8 5.0 472 379 A 39 THR HG2% A 41 ASP HBx 1.0 1.8 5.0 473 380 A 40 GLU H A 41 ASP H 1.0 1.8 3.5 474 381 A 42 MET H A 40 GLU H 1.0 1.8 5.0 475 382 A 58 LEU HD1% A 40 GLU H 1.0 1.8 5.0 476 383 A 58 LEU HD2% A 40 GLU H 1.0 1.8 5.0 477 384 A 41 ASP H A 40 GLU HA 1.0 1.8 5.0 478 385 A 40 GLU HA A 41 ASP HA 1.0 1.8 5.0 479 386 A 42 MET H A 40 GLU HA 1.0 1.8 5.0 480 387 A 43 LEU H A 40 GLU HA 1.0 1.8 5.0 481 388 A 43 LEU HBy A 40 GLU HA 1.0 1.8 5.0 482 389 A 40 GLU HA A 43 LEU HBx 1.0 1.8 5.0 483 390 A 43 LEU HG A 40 GLU HA 1.0 1.8 5.0 484 391 A 43 LEU HD1% A 40 GLU HA 1.0 1.8 5.0 485 392 A 40 GLU HA A 44 ARG H 1.0 1.8 5.0 486 393 A 40 GLU HA A 56 ILE HB 1.0 1.8 5.0 487 394 A 40 GLU HA A 56 ILE HG2% 1.0 1.8 5.0 488 395 A 58 LEU HD1% A 40 GLU HA 1.0 1.8 5.0 489 396 A 41 ASP H A 40 GLU HBy 1.0 1.8 5.0 490 397 A 41 ASP H A 40 GLU HBx 1.0 1.8 5.0 491 398 A 41 ASP HA A 40 GLU HBx 1.0 1.8 5.0 492 398 A 40 GLU HBy A 41 ASP HA 1.0 1.8 5.0 493 399 A 56 ILE HB A 40 GLU HBx 1.0 1.8 5.0 494 399 A 40 GLU HBy A 56 ILE HB 1.0 1.8 5.0 495 400 A 40 GLU HBy A 56 ILE HG2% 1.0 1.8 5.0 496 401 A 56 ILE HG2% A 40 GLU HBx 1.0 1.8 5.0 497 402 A 56 ILE HD1% A 40 GLU HBx 1.0 1.8 5.0 498 402 A 40 GLU HBy A 56 ILE HD1% 1.0 1.8 5.0 499 403 A 41 ASP H A 40 GLU HGx 1.0 1.8 5.0 500 404 A 56 ILE HB A 40 GLU HGy 1.0 1.8 5.0 501 405 A 56 ILE HB A 40 GLU HGx 1.0 1.8 5.0 502 406 A 56 ILE HG2% A 40 GLU HGy 1.0 1.8 5.0 503 407 A 56 ILE HG2% A 40 GLU HGx 1.0 1.8 5.0 504 408 A 56 ILE HD1% A 40 GLU HGx 1.0 1.8 5.0 505 408 A 56 ILE HD1% A 40 GLU HGy 1.0 1.8 5.0 506 409 A 40 GLU HGy A 58 LEU H 1.0 1.8 5.0 507 410 A 40 GLU HGy A 58 LEU HBx 1.0 1.8 5.0 508 410 A 40 GLU HGx A 58 LEU HBx 1.0 1.8 5.0 509 410 A 58 LEU HBy A 40 GLU HGx 1.0 1.8 5.0 510 410 A 58 LEU HBy A 40 GLU HGy 1.0 1.8 5.0 511 411 A 58 LEU HG A 40 GLU HGx 1.0 1.8 5.0 512 411 A 40 GLU HGy A 58 LEU HG 1.0 1.8 5.0 513 412 A 58 LEU HD1% A 40 GLU HGx 1.0 1.8 5.0 514 412 A 58 LEU HD1% A 40 GLU HGy 1.0 1.8 5.0 515 413 A 42 MET H A 41 ASP H 1.0 1.8 3.5 516 414 A 43 LEU H A 41 ASP H 1.0 1.8 5.0 517 415 A 41 ASP H A 44 ARG H 1.0 1.8 5.0 518 416 A 42 MET H A 41 ASP HA 1.0 1.8 5.0 519 417 A 41 ASP HA A 44 ARG H 1.0 1.8 5.0 520 418 A 41 ASP HA A 44 ARG HBy 1.0 1.8 5.0 521 419 A 41 ASP HA A 44 ARG HBx 1.0 1.8 5.0 522 420 A 41 ASP HA A 44 ARG HGx 1.0 1.8 5.0 523 420 A 41 ASP HA A 44 ARG HGy 1.0 1.8 5.0 524 421 A 41 ASP HA A 44 ARG HDx 1.0 1.8 5.0 525 421 A 41 ASP HA A 44 ARG HDy 1.0 1.8 5.0 526 422 A 41 ASP HA A 45 GLY H 1.0 1.8 5.0 527 423 A 42 MET H A 41 ASP HBy 1.0 1.8 5.0 528 423 A 42 MET H A 41 ASP HBx 1.0 1.8 5.0 529 424 A 42 MET H A 43 LEU H 1.0 1.8 3.5 530 425 A 42 MET H A 43 LEU HG 1.0 1.8 5.0 531 426 A 43 LEU HD1% A 42 MET H 1.0 1.8 5.0 532 427 A 42 MET H A 44 ARG H 1.0 1.8 5.0 533 428 A 43 LEU H A 42 MET HA 1.0 1.8 5.0 534 429 A 45 GLY H A 42 MET HA 1.0 1.8 5.0 535 430 A 42 MET HA A 46 ILE H 1.0 1.8 5.0 536 431 A 42 MET HA A 46 ILE HG1y 1.0 1.8 5.0 537 431 A 42 MET HA A 46 ILE HG1x 1.0 1.8 5.0 538 432 A 42 MET HBy A 43 LEU H 1.0 1.8 5.0 539 433 A 43 LEU H A 42 MET HBx 1.0 1.8 5.0 540 434 A 43 LEU HD2% A 42 MET HBx 1.0 1.8 5.0 541 434 A 43 LEU HD2% A 42 MET HBy 1.0 1.8 5.0 542 435 A 46 ILE HD1% A 42 MET HBx 1.0 1.8 5.0 543 435 A 42 MET HBy A 46 ILE HD1% 1.0 1.8 5.0 544 436 A 93 LEU HD2% A 42 MET HBx 1.0 1.8 5.0 545 436 A 42 MET HBy A 93 LEU HD2% 1.0 1.8 5.0 546 437 A 43 LEU H A 42 MET HGy 1.0 1.8 5.0 547 437 A 42 MET HGx A 43 LEU H 1.0 1.8 5.0 548 438 A 93 LEU HD2% A 42 MET HGy 1.0 1.8 5.0 549 438 A 42 MET HGx A 93 LEU HD2% 1.0 1.8 5.0 550 439 A 43 LEU H A 44 ARG H 1.0 1.8 3.5 551 440 A 43 LEU H A 45 GLY H 1.0 1.8 5.0 552 441 A 44 ARG H A 43 LEU HA 1.0 1.8 5.0 553 442 A 46 ILE H A 43 LEU HA 1.0 1.8 5.0 554 443 A 43 LEU HA A 46 ILE HB 1.0 1.8 5.0 555 444 A 43 LEU HA A 46 ILE HG1y 1.0 1.8 5.0 556 444 A 46 ILE HG1x A 43 LEU HA 1.0 1.8 5.0 557 445 A 43 LEU HA A 46 ILE HG2% 1.0 1.8 5.0 558 446 A 46 ILE HD1% A 43 LEU HA 1.0 1.8 5.0 559 447 A 43 LEU HA A 47 PHE HD% 1.0 1.8 5.0 560 448 A 93 LEU HD2% A 43 LEU HA 1.0 1.8 5.0 561 449 A 43 LEU HBy A 44 ARG H 1.0 1.8 5.0 562 450 A 44 ARG H A 43 LEU HBx 1.0 1.8 5.0 563 451 A 46 ILE H A 43 LEU HBx 1.0 1.8 5.0 564 451 A 43 LEU HBy A 46 ILE H 1.0 1.8 5.0 565 452 A 47 PHE HD% A 43 LEU HBx 1.0 1.8 5.0 566 452 A 43 LEU HBy A 47 PHE HD% 1.0 1.8 5.0 567 453 A 56 ILE HG2% A 43 LEU HBx 1.0 1.8 5.0 568 453 A 43 LEU HBy A 56 ILE HG2% 1.0 1.8 5.0 569 454 A 73 ILE HD1% A 43 LEU HBy 1.0 1.8 5.0 570 455 A 73 ILE HD1% A 43 LEU HBx 1.0 1.8 5.0 571 456 A 43 LEU HG A 44 ARG H 1.0 1.8 5.0 572 457 A 43 LEU HD1% A 44 ARG H 1.0 1.8 5.0 573 458 A 43 LEU HD2% A 47 PHE HD% 1.0 1.8 5.0 574 459 A 47 PHE HE% A 43 LEU HD2% 1.0 1.8 5.0 575 460 A 47 PHE HZ A 43 LEU HD2% 1.0 1.8 5.0 576 461 A 43 LEU HD1% A 56 ILE HG2% 1.0 1.8 5.0 577 462 A 43 LEU HD1% A 58 LEU HD1% 1.0 1.8 5.0 578 463 A 43 LEU HD1% A 58 LEU HD2% 1.0 1.8 5.0 579 464 A 73 ILE HD1% A 43 LEU HD1% 1.0 1.8 5.0 580 465 A 73 ILE HD1% A 43 LEU HD2% 1.0 1.8 5.0 581 466 A 43 LEU HD2% A 93 LEU HD2% 1.0 1.8 5.0 582 467 A 43 LEU HD2% A 98 MET HGx 1.0 1.8 5.0 583 467 A 43 LEU HD2% A 98 MET HGy 1.0 1.8 5.0 584 468 A 44 ARG H A 45 GLY H 1.0 1.8 3.5 585 469 A 44 ARG H A 45 GLY HAy 1.0 1.8 5.0 586 469 A 44 ARG H A 45 GLY HAx 1.0 1.8 5.0 587 470 A 44 ARG H A 46 ILE H 1.0 1.8 5.0 588 471 A 44 ARG H A 47 PHE H 1.0 1.8 5.0 589 472 A 44 ARG H A 53 ILE HD1% 1.0 1.8 5.0 590 473 A 44 ARG H A 56 ILE HG1x 1.0 1.8 5.0 591 473 A 44 ARG H A 56 ILE HG1y 1.0 1.8 5.0 592 474 A 44 ARG H A 56 ILE HG2% 1.0 1.8 5.0 593 475 A 44 ARG H A 56 ILE HD1% 1.0 1.8 5.0 594 476 A 73 ILE HD1% A 44 ARG H 1.0 1.8 5.0 595 477 A 45 GLY H A 44 ARG HA 1.0 1.8 5.0 596 478 A 46 ILE H A 44 ARG HA 1.0 1.8 5.0 597 479 A 47 PHE H A 44 ARG HA 1.0 1.8 5.0 598 480 A 44 ARG HA A 47 PHE HBy 1.0 1.8 5.0 599 481 A 44 ARG HA A 47 PHE HBx 1.0 1.8 5.0 600 482 A 44 ARG HA A 48 GLU H 1.0 1.8 5.0 601 483 A 44 ARG HA A 53 ILE HG1x 1.0 1.8 5.0 602 483 A 44 ARG HA A 53 ILE HG1y 1.0 1.8 5.0 603 484 A 53 ILE HD1% A 44 ARG HA 1.0 1.8 5.0 604 485 A 56 ILE HD1% A 44 ARG HA 1.0 1.8 5.0 605 486 A 45 GLY H A 44 ARG HBy 1.0 1.8 5.0 606 487 A 45 GLY H A 44 ARG HBx 1.0 1.8 5.0 607 488 A 48 GLU H A 44 ARG HBx 1.0 1.8 5.0 608 488 A 48 GLU H A 44 ARG HBy 1.0 1.8 5.0 609 489 A 56 ILE HD1% A 44 ARG HBy 1.0 1.8 5.0 610 490 A 56 ILE HD1% A 44 ARG HBx 1.0 1.8 5.0 611 491 A 45 GLY H A 44 ARG HGx 1.0 1.8 5.0 612 491 A 44 ARG HGy A 45 GLY H 1.0 1.8 5.0 613 492 A 44 ARG HGx A 45 GLY HAy 1.0 1.8 5.0 614 492 A 44 ARG HGy A 45 GLY HAy 1.0 1.8 5.0 615 492 A 45 GLY HAx A 44 ARG HGx 1.0 1.8 5.0 616 492 A 44 ARG HGy A 45 GLY HAx 1.0 1.8 5.0 617 493 A 48 GLU HBy A 44 ARG HGx 1.0 1.8 5.0 618 493 A 44 ARG HGx A 48 GLU HBx 1.0 1.8 5.0 619 494 A 53 ILE HD1% A 44 ARG HGx 1.0 1.8 5.0 620 494 A 44 ARG HGy A 53 ILE HD1% 1.0 1.8 5.0 621 495 A 56 ILE HD1% A 44 ARG HDy 1.0 1.8 5.0 622 496 A 56 ILE HD1% A 44 ARG HDx 1.0 1.8 5.0 623 497 A 56 ILE HD1% A 44 ARG HE 1.0 1.8 5.0 624 498 A 45 GLY H A 46 ILE H 1.0 1.8 3.5 625 499 A 45 GLY H A 46 ILE HG1y 1.0 1.8 5.0 626 499 A 45 GLY H A 46 ILE HG1x 1.0 1.8 5.0 627 500 A 45 GLY H A 47 PHE H 1.0 1.8 5.0 628 501 A 45 GLY H A 48 GLU H 1.0 1.8 5.0 629 502 A 46 ILE H A 45 GLY HAy 1.0 1.8 5.0 630 502 A 46 ILE H A 45 GLY HAx 1.0 1.8 5.0 631 503 A 48 GLU H A 45 GLY HAy 1.0 1.8 5.0 632 503 A 45 GLY HAx A 48 GLU H 1.0 1.8 5.0 633 504 A 45 GLY HAx A 48 GLU HBx 1.0 1.8 5.0 634 504 A 45 GLY HAy A 48 GLU HBx 1.0 1.8 5.0 635 504 A 48 GLU HBy A 45 GLY HAy 1.0 1.8 5.0 636 504 A 45 GLY HAx A 48 GLU HBy 1.0 1.8 5.0 637 505 A 45 GLY HAx A 49 PRO HDx 1.0 1.8 5.0 638 505 A 49 PRO HDx A 45 GLY HAy 1.0 1.8 5.0 639 506 A 45 GLY HAx A 49 PRO HDy 1.0 1.8 5.0 640 506 A 45 GLY HAy A 49 PRO HDy 1.0 1.8 5.0 641 507 A 46 ILE H A 47 PHE H 1.0 1.8 3.5 642 508 A 46 ILE H A 48 GLU H 1.0 1.8 5.0 643 509 A 46 ILE H A 49 PRO HDy 1.0 1.8 5.0 644 509 A 46 ILE H A 49 PRO HDx 1.0 1.8 5.0 645 510 A 46 ILE HD1% A 46 ILE HA 1.0 1.8 5.0 646 511 A 47 PHE H A 46 ILE HA 1.0 1.8 5.0 647 512 A 46 ILE HA A 49 PRO HGy 1.0 1.8 5.0 648 512 A 46 ILE HA A 49 PRO HGx 1.0 1.8 5.0 649 513 A 46 ILE HA A 49 PRO HDy 1.0 1.8 5.0 650 513 A 49 PRO HDx A 46 ILE HA 1.0 1.8 5.0 651 514 A 46 ILE HB A 47 PHE H 1.0 1.8 5.0 652 515 A 46 ILE HB A 47 PHE HBx 1.0 1.8 5.0 653 515 A 46 ILE HB A 47 PHE HBy 1.0 1.8 5.0 654 516 A 46 ILE HB A 47 PHE HD% 1.0 1.8 5.0 655 517 A 93 LEU HD1% A 46 ILE HG1y 1.0 1.8 5.0 656 517 A 46 ILE HG1x A 93 LEU HD1% 1.0 1.8 5.0 657 518 A 98 MET HE% A 46 ILE HG1y 1.0 1.8 5.0 658 518 A 46 ILE HG1x A 98 MET HE% 1.0 1.8 5.0 659 519 A 46 ILE HG2% A 47 PHE H 1.0 1.8 5.0 660 520 A 46 ILE HG2% A 47 PHE HA 1.0 1.8 5.0 661 521 A 46 ILE HG2% A 47 PHE HD% 1.0 1.8 5.0 662 522 A 46 ILE HG2% A 50 PHE HE% 1.0 1.8 5.0 663 523 A 46 ILE HG2% A 50 PHE HZ 1.0 1.8 5.0 664 524 A 46 ILE HG2% A 88 LEU HD1% 1.0 1.8 5.0 665 525 A 46 ILE HG2% A 88 LEU HD2% 1.0 1.8 5.0 666 526 A 46 ILE HG2% A 98 MET HE% 1.0 1.8 5.0 667 527 A 46 ILE HD1% A 91 PHE HD% 1.0 1.8 5.0 668 528 A 46 ILE HD1% A 91 PHE HE% 1.0 1.8 5.0 669 529 A 93 LEU HD2% A 46 ILE HD1% 1.0 1.8 5.0 670 530 A 46 ILE HD1% A 93 LEU HD1% 1.0 1.8 5.0 671 531 A 46 ILE HD1% A 98 MET HE% 1.0 1.8 5.0 672 532 A 47 PHE H A 48 GLU H 1.0 1.8 3.5 673 533 A 47 PHE H A 48 GLU HBy 1.0 1.8 5.0 674 534 A 47 PHE H A 53 ILE HD1% 1.0 1.8 5.0 675 535 A 48 GLU H A 47 PHE HA 1.0 1.8 5.0 676 536 A 49 PRO HDx A 47 PHE HA 1.0 1.8 5.0 677 537 A 47 PHE HA A 50 PHE HD% 1.0 1.8 5.0 678 538 A 47 PHE HA A 50 PHE HE% 1.0 1.8 5.0 679 539 A 47 PHE HA A 88 LEU HD1% 1.0 1.8 5.0 680 540 A 48 GLU H A 47 PHE HBy 1.0 1.8 5.0 681 541 A 48 GLU H A 47 PHE HBx 1.0 1.8 5.0 682 542 A 47 PHE HBx A 53 ILE HG1x 1.0 1.8 5.0 683 542 A 47 PHE HBy A 53 ILE HG1x 1.0 1.8 5.0 684 542 A 53 ILE HG1y A 47 PHE HBx 1.0 1.8 5.0 685 542 A 53 ILE HG1y A 47 PHE HBy 1.0 1.8 5.0 686 543 A 53 ILE HD1% A 47 PHE HBy 1.0 1.8 5.0 687 544 A 53 ILE HD1% A 47 PHE HBx 1.0 1.8 5.0 688 545 A 73 ILE HD1% A 47 PHE HBy 1.0 1.8 5.0 689 546 A 73 ILE HD1% A 47 PHE HBx 1.0 1.8 5.0 690 547 A 47 PHE HBy A 75 PHE HZ 1.0 1.8 5.0 691 548 A 75 PHE HZ A 47 PHE HBx 1.0 1.8 5.0 692 549 A 47 PHE HD% A 48 GLU H 1.0 1.8 5.0 693 550 A 73 ILE HG2% A 47 PHE HD% 1.0 1.8 5.0 694 551 A 73 ILE HD1% A 47 PHE HD% 1.0 1.8 5.0 695 552 A 47 PHE HD% A 84 ALA HB% 1.0 1.8 5.0 696 553 A 47 PHE HE% A 73 ILE HD1% 1.0 1.8 5.0 697 554 A 47 PHE HE% A 84 ALA HB% 1.0 1.8 5.0 698 555 A 47 PHE HE% A 85 LEU HA 1.0 1.8 5.0 699 556 A 47 PHE HE% A 88 LEU HD1% 1.0 1.8 5.0 700 557 A 47 PHE HE% A 100 VAL HG1% 1.0 1.8 5.0 701 558 A 47 PHE HZ A 73 ILE HD1% 1.0 1.8 5.0 702 559 A 47 PHE HZ A 88 LEU HD1% 1.0 1.8 5.0 703 560 A 47 PHE HZ A 98 MET HE% 1.0 1.8 5.0 704 561 A 47 PHE HZ A 100 VAL HG1% 1.0 1.8 5.0 705 562 A 47 PHE HZ A 100 VAL HG2% 1.0 1.8 5.0 706 563 A 48 GLU H A 49 PRO HDx 1.0 1.8 5.0 707 564 A 48 GLU H A 49 PRO HDy 1.0 1.8 5.0 708 565 A 48 GLU H A 50 PHE H 1.0 1.8 5.0 709 566 A 53 ILE HD1% A 48 GLU H 1.0 1.8 5.0 710 567 A 49 PRO HDx A 48 GLU HA 1.0 1.8 5.0 711 568 A 48 GLU HA A 49 PRO HDy 1.0 1.8 5.0 712 569 A 50 PHE H A 48 GLU HA 1.0 1.8 4.0 713 570 A 48 GLU HA A 51 GLY H 1.0 1.8 4.0 714 571 A 48 GLU HA A 52 ARG H 1.0 1.8 5.0 715 572 A 48 GLU HA A 53 ILE HG1x 1.0 1.8 5.0 716 572 A 53 ILE HG1y A 48 GLU HA 1.0 1.8 5.0 717 573 A 53 ILE HD1% A 48 GLU HA 1.0 1.8 5.0 718 574 A 48 GLU HBy A 49 PRO HDx 1.0 1.8 5.0 719 574 A 48 GLU HBy A 49 PRO HDy 1.0 1.8 5.0 720 575 A 49 PRO HDx A 48 GLU HBx 1.0 1.8 5.0 721 575 A 48 GLU HBx A 49 PRO HDy 1.0 1.8 5.0 722 576 A 53 ILE HD1% A 48 GLU HBy 1.0 1.8 5.0 723 577 A 53 ILE HD1% A 48 GLU HBx 1.0 1.8 5.0 724 578 A 49 PRO HDx A 48 GLU HGy 1.0 1.8 5.0 725 578 A 48 GLU HGy A 49 PRO HDy 1.0 1.8 5.0 726 579 A 49 PRO HDx A 48 GLU HGx 1.0 1.8 5.0 727 579 A 48 GLU HGx A 49 PRO HDy 1.0 1.8 5.0 728 580 A 48 GLU HGy A 52 ARG HBx 1.0 1.8 5.0 729 580 A 48 GLU HGx A 52 ARG HBx 1.0 1.8 5.0 730 580 A 52 ARG HBy A 48 GLU HGx 1.0 1.8 5.0 731 580 A 48 GLU HGy A 52 ARG HBy 1.0 1.8 5.0 732 581 A 48 GLU HGy A 52 ARG HGy 1.0 1.8 5.0 733 581 A 48 GLU HGy A 52 ARG HGx 1.0 1.8 5.0 734 582 A 52 ARG HGy A 48 GLU HGx 1.0 1.8 5.0 735 582 A 48 GLU HGx A 52 ARG HGx 1.0 1.8 5.0 736 583 A 48 GLU HGy A 53 ILE H 1.0 1.8 5.0 737 584 A 53 ILE H A 48 GLU HGx 1.0 1.8 5.0 738 585 A 53 ILE HD1% A 48 GLU HGy 1.0 1.8 5.0 739 586 A 53 ILE HD1% A 48 GLU HGx 1.0 1.8 5.0 740 587 A 50 PHE H A 49 PRO HA 1.0 1.8 5.0 741 588 A 50 PHE H A 49 PRO HBy 1.0 1.8 5.0 742 588 A 50 PHE H A 49 PRO HBx 1.0 1.8 5.0 743 589 A 50 PHE HA A 49 PRO HBy 1.0 1.8 5.0 744 589 A 49 PRO HBx A 50 PHE HA 1.0 1.8 5.0 745 590 A 49 PRO HDx A 50 PHE H 1.0 1.8 5.0 746 591 A 50 PHE H A 49 PRO HDy 1.0 1.8 5.0 747 592 A 50 PHE HD% A 49 PRO HDy 1.0 1.8 5.0 748 592 A 49 PRO HDx A 50 PHE HD% 1.0 1.8 5.0 749 593 A 53 ILE HD1% A 50 PHE H 1.0 1.8 5.0 750 594 A 84 ALA HB% A 50 PHE H 1.0 1.8 5.0 751 595 A 51 GLY H A 50 PHE HA 1.0 1.8 5.0 752 596 A 51 GLY H A 50 PHE HBy 1.0 1.8 5.0 753 597 A 51 GLY H A 50 PHE HBx 1.0 1.8 5.0 754 598 A 50 PHE HBy A 51 GLY HAy 1.0 1.8 5.0 755 598 A 50 PHE HBx A 51 GLY HAy 1.0 1.8 5.0 756 598 A 51 GLY HAx A 50 PHE HBx 1.0 1.8 5.0 757 598 A 50 PHE HBy A 51 GLY HAx 1.0 1.8 5.0 758 599 A 75 PHE HZ A 50 PHE HBx 1.0 1.8 5.0 759 599 A 75 PHE HZ A 50 PHE HBy 1.0 1.8 5.0 760 600 A 50 PHE HBx A 83 LYS HBy 1.0 1.8 5.0 761 600 A 50 PHE HBy A 83 LYS HBy 1.0 1.8 5.0 762 600 A 83 LYS HBx A 50 PHE HBx 1.0 1.8 5.0 763 600 A 50 PHE HBy A 83 LYS HBx 1.0 1.8 5.0 764 601 A 84 ALA H A 50 PHE HBx 1.0 1.8 5.0 765 601 A 50 PHE HBy A 84 ALA H 1.0 1.8 5.0 766 602 A 84 ALA HB% A 50 PHE HBy 1.0 1.8 5.0 767 603 A 84 ALA HB% A 50 PHE HBx 1.0 1.8 5.0 768 604 A 50 PHE HD% A 51 GLY H 1.0 1.8 5.0 769 605 A 50 PHE HD% A 83 LYS HBy 1.0 1.8 5.0 770 605 A 50 PHE HD% A 83 LYS HBx 1.0 1.8 5.0 771 606 A 50 PHE HD% A 83 LYS HGy 1.0 1.8 5.0 772 607 A 50 PHE HD% A 83 LYS HGx 1.0 1.8 5.0 773 608 A 50 PHE HD% A 83 LYS HDx 1.0 1.8 5.0 774 608 A 50 PHE HD% A 83 LYS HDy 1.0 1.8 5.0 775 609 A 50 PHE HD% A 84 ALA H 1.0 1.8 5.0 776 610 A 50 PHE HD% A 84 ALA HA 1.0 1.8 5.0 777 611 A 50 PHE HD% A 84 ALA HB% 1.0 1.8 5.0 778 612 A 88 LEU HD1% A 50 PHE HD% 1.0 1.8 5.0 779 613 A 50 PHE HE% A 83 LYS HBy 1.0 1.8 5.0 780 613 A 50 PHE HE% A 83 LYS HBx 1.0 1.8 5.0 781 614 A 50 PHE HE% A 83 LYS HGy 1.0 1.8 5.0 782 615 A 50 PHE HE% A 83 LYS HGx 1.0 1.8 5.0 783 616 A 50 PHE HE% A 83 LYS HDx 1.0 1.8 5.0 784 616 A 50 PHE HE% A 83 LYS HDy 1.0 1.8 5.0 785 617 A 50 PHE HE% A 84 ALA HB% 1.0 1.8 5.0 786 618 A 50 PHE HE% A 87 GLN H 1.0 1.8 5.0 787 619 A 50 PHE HE% A 87 GLN HBy 1.0 1.8 5.0 788 620 A 50 PHE HE% A 87 GLN HBx 1.0 1.8 5.0 789 621 A 50 PHE HE% A 87 GLN HGy 1.0 1.8 5.0 790 622 A 50 PHE HE% A 87 GLN HGx 1.0 1.8 5.0 791 623 A 50 PHE HE% A 88 LEU HG 1.0 1.8 5.0 792 624 A 50 PHE HE% A 88 LEU HD1% 1.0 1.8 5.0 793 625 A 50 PHE HE% A 88 LEU HD2% 1.0 1.8 5.0 794 626 A 50 PHE HZ A 84 ALA HA 1.0 1.8 5.0 795 627 A 50 PHE HZ A 84 ALA HB% 1.0 1.8 5.0 796 628 A 50 PHE HZ A 87 GLN H 1.0 1.8 5.0 797 629 A 50 PHE HZ A 87 GLN HBy 1.0 1.8 5.0 798 630 A 50 PHE HZ A 87 GLN HBx 1.0 1.8 5.0 799 631 A 50 PHE HZ A 87 GLN HGy 1.0 1.8 5.0 800 632 A 50 PHE HZ A 87 GLN HGx 1.0 1.8 5.0 801 633 A 50 PHE HZ A 88 LEU H 1.0 1.8 5.0 802 634 A 50 PHE HZ A 88 LEU HG 1.0 1.8 5.0 803 635 A 50 PHE HZ A 88 LEU HD1% 1.0 1.8 5.0 804 636 A 50 PHE HZ A 88 LEU HD2% 1.0 1.8 5.0 805 637 A 51 GLY H A 52 ARG H 1.0 1.8 4.0 806 638 A 53 ILE HD1% A 51 GLY H 1.0 1.8 5.0 807 639 A 75 PHE HD% A 51 GLY H 1.0 1.8 5.0 808 640 A 84 ALA HB% A 51 GLY H 1.0 1.8 5.0 809 641 A 52 ARG H A 51 GLY HAy 1.0 1.8 3.5 810 642 A 52 ARG H A 51 GLY HAx 1.0 1.8 3.5 811 643 A 51 GLY HAy A 52 ARG HBx 1.0 1.8 5.0 812 643 A 51 GLY HAx A 52 ARG HBx 1.0 1.8 5.0 813 643 A 52 ARG HBy A 51 GLY HAy 1.0 1.8 5.0 814 643 A 52 ARG HBy A 51 GLY HAx 1.0 1.8 5.0 815 644 A 51 GLY HAx A 80 CYS HBy 1.0 1.8 5.0 816 644 A 80 CYS HBy A 51 GLY HAy 1.0 1.8 5.0 817 645 A 51 GLY HAy A 80 CYS HBx 1.0 1.8 5.0 818 645 A 51 GLY HAx A 80 CYS HBx 1.0 1.8 5.0 819 646 A 52 ARG H A 53 ILE H 1.0 1.8 5.0 820 647 A 75 PHE HD% A 52 ARG H 1.0 1.8 5.0 821 648 A 53 ILE H A 52 ARG HA 1.0 1.8 3.5 822 649 A 52 ARG HA A 53 ILE HB 1.0 1.8 5.0 823 650 A 52 ARG HBy A 53 ILE H 1.0 1.8 5.0 824 651 A 53 ILE H A 52 ARG HBx 1.0 1.8 5.0 825 652 A 52 ARG HBx A 76 SER HBy 1.0 1.8 5.0 826 652 A 52 ARG HBy A 76 SER HBy 1.0 1.8 5.0 827 652 A 76 SER HBx A 52 ARG HBx 1.0 1.8 5.0 828 652 A 52 ARG HBy A 76 SER HBx 1.0 1.8 5.0 829 653 A 52 ARG HGy A 53 ILE H 1.0 1.8 5.0 830 654 A 53 ILE H A 52 ARG HGx 1.0 1.8 5.0 831 655 A 53 ILE H A 52 ARG HDx 1.0 1.8 5.0 832 656 A 53 ILE HA A 54 GLU H 1.0 1.8 3.5 833 657 A 53 ILE HA A 55 SER H 1.0 1.8 5.0 834 658 A 53 ILE HA A 75 PHE HA 1.0 1.8 5.0 835 659 A 53 ILE HA A 76 SER H 1.0 1.8 5.0 836 660 A 53 ILE HB A 54 GLU H 1.0 1.8 5.0 837 661 A 54 GLU H A 53 ILE HG1x 1.0 1.8 5.0 838 661 A 53 ILE HG1y A 54 GLU H 1.0 1.8 5.0 839 662 A 56 ILE HD1% A 53 ILE HG1y 1.0 1.8 5.0 840 663 A 56 ILE HD1% A 53 ILE HG1x 1.0 1.8 5.0 841 664 A 75 PHE HD% A 53 ILE HG1x 1.0 1.8 5.0 842 664 A 75 PHE HD% A 53 ILE HG1y 1.0 1.8 5.0 843 665 A 75 PHE HE% A 53 ILE HG1x 1.0 1.8 5.0 844 665 A 75 PHE HE% A 53 ILE HG1y 1.0 1.8 5.0 845 666 A 75 PHE HZ A 53 ILE HG1x 1.0 1.8 5.0 846 666 A 53 ILE HG1y A 75 PHE HZ 1.0 1.8 5.0 847 667 A 54 GLU H A 53 ILE HG2% 1.0 1.8 5.0 848 668 A 55 SER H A 53 ILE HG2% 1.0 1.8 5.0 849 669 A 53 ILE HG2% A 55 SER HA 1.0 1.8 5.0 850 670 A 53 ILE HG2% A 56 ILE H 1.0 1.8 5.0 851 671 A 53 ILE HG2% A 56 ILE HA 1.0 1.8 5.0 852 672 A 56 ILE HB A 53 ILE HG2% 1.0 1.8 5.0 853 673 A 56 ILE HG1y A 53 ILE HG2% 1.0 1.8 5.0 854 674 A 53 ILE HG2% A 56 ILE HG1x 1.0 1.8 5.0 855 675 A 56 ILE HD1% A 53 ILE HG2% 1.0 1.8 5.0 856 676 A 73 ILE HG2% A 53 ILE HG2% 1.0 1.8 5.0 857 677 A 73 ILE HD1% A 53 ILE HG2% 1.0 1.8 5.0 858 678 A 74 THR H A 53 ILE HG2% 1.0 1.8 5.0 859 679 A 53 ILE HG2% A 74 THR HB 1.0 1.8 5.0 860 680 A 75 PHE HE% A 53 ILE HG2% 1.0 1.8 5.0 861 681 A 56 ILE HD1% A 53 ILE HD1% 1.0 1.8 5.0 862 682 A 73 ILE HD1% A 53 ILE HD1% 1.0 1.8 5.0 863 683 A 75 PHE HD% A 53 ILE HD1% 1.0 1.8 5.0 864 684 A 53 ILE HD1% A 75 PHE HZ 1.0 1.8 5.0 865 685 A 54 GLU H A 55 SER H 1.0 1.8 3.5 866 686 A 54 GLU H A 55 SER HA 1.0 1.8 5.0 867 687 A 74 THR H A 54 GLU H 1.0 1.8 5.0 868 688 A 74 THR HG2% A 54 GLU H 1.0 1.8 5.0 869 689 A 54 GLU H A 75 PHE HA 1.0 1.8 5.0 870 690 A 54 GLU H A 76 SER H 1.0 1.8 5.0 871 691 A 55 SER H A 54 GLU HA 1.0 1.8 5.0 872 692 A 55 SER H A 54 GLU HBy 1.0 1.8 5.0 873 693 A 55 SER H A 54 GLU HBx 1.0 1.8 5.0 874 694 A 55 SER HBy A 54 GLU HBx 1.0 1.8 5.0 875 694 A 54 GLU HBy A 55 SER HBy 1.0 1.8 5.0 876 695 A 55 SER HBx A 54 GLU HBx 1.0 1.8 5.0 877 695 A 54 GLU HBy A 55 SER HBx 1.0 1.8 5.0 878 696 A 74 THR HB A 54 GLU HBy 1.0 1.8 5.0 879 697 A 74 THR HB A 54 GLU HBx 1.0 1.8 5.0 880 698 A 74 THR HG2% A 54 GLU HBy 1.0 1.8 5.0 881 699 A 74 THR HG2% A 54 GLU HBx 1.0 1.8 5.0 882 700 A 75 PHE HA A 54 GLU HBx 1.0 1.8 5.0 883 700 A 75 PHE HA A 54 GLU HBy 1.0 1.8 5.0 884 701 A 76 SER H A 54 GLU HBx 1.0 1.8 5.0 885 701 A 76 SER H A 54 GLU HBy 1.0 1.8 5.0 886 702 A 55 SER H A 54 GLU HGx 1.0 1.8 5.0 887 703 A 55 SER H A 54 GLU HGy 1.0 1.8 5.0 888 704 A 74 THR HG2% A 54 GLU HGx 1.0 1.8 5.0 889 705 A 74 THR HG2% A 54 GLU HGy 1.0 1.8 5.0 890 706 A 75 PHE HA A 54 GLU HGy 1.0 1.8 5.0 891 707 A 76 SER H A 54 GLU HGx 1.0 1.8 5.0 892 708 A 76 SER H A 54 GLU HGy 1.0 1.8 5.0 893 709 A 76 SER HA A 54 GLU HGy 1.0 1.8 5.0 894 709 A 76 SER HA A 54 GLU HGx 1.0 1.8 5.0 895 710 A 54 GLU HGx A 76 SER HBy 1.0 1.8 5.0 896 711 A 76 SER HBx A 54 GLU HGx 1.0 1.8 5.0 897 712 A 54 GLU HGy A 76 SER HBy 1.0 1.8 5.0 898 713 A 76 SER HBx A 54 GLU HGy 1.0 1.8 5.0 899 714 A 55 SER H A 56 ILE H 1.0 1.8 5.0 900 715 A 55 SER H A 56 ILE HG1x 1.0 1.8 5.0 901 715 A 56 ILE HG1y A 55 SER H 1.0 1.8 5.0 902 716 A 73 ILE HG2% A 55 SER H 1.0 1.8 5.0 903 717 A 74 THR H A 55 SER H 1.0 1.8 5.0 904 718 A 55 SER H A 74 THR HB 1.0 1.8 5.0 905 719 A 74 THR HG2% A 55 SER H 1.0 1.8 5.0 906 720 A 55 SER H A 75 PHE HA 1.0 1.8 5.0 907 721 A 55 SER HA A 56 ILE H 1.0 1.8 2.9 908 722 A 56 ILE HB A 55 SER HA 1.0 1.8 5.0 909 723 A 56 ILE HG1y A 55 SER HA 1.0 1.8 5.0 910 724 A 55 SER HA A 56 ILE HG1x 1.0 1.8 5.0 911 725 A 56 ILE H A 55 SER HBy 1.0 1.8 5.0 912 726 A 56 ILE H A 55 SER HBx 1.0 1.8 5.0 913 727 A 56 ILE H A 57 GLN H 1.0 1.8 5.0 914 728 A 56 ILE HA A 57 GLN H 1.0 1.8 3.5 915 729 A 73 ILE HG2% A 56 ILE HA 1.0 1.8 5.0 916 730 A 73 ILE HD1% A 56 ILE HA 1.0 1.8 5.0 917 731 A 74 THR H A 56 ILE HA 1.0 1.8 5.0 918 732 A 56 ILE HG1y A 57 GLN H 1.0 1.8 5.0 919 733 A 73 ILE HA A 56 ILE HG1x 1.0 1.8 5.0 920 733 A 73 ILE HA A 56 ILE HG1y 1.0 1.8 5.0 921 734 A 73 ILE HG2% A 56 ILE HG1y 1.0 1.8 5.0 922 735 A 73 ILE HG2% A 56 ILE HG1x 1.0 1.8 5.0 923 736 A 73 ILE HD1% A 56 ILE HG1y 1.0 1.8 5.0 924 737 A 73 ILE HD1% A 56 ILE HG1x 1.0 1.8 5.0 925 738 A 74 THR H A 56 ILE HG1y 1.0 1.8 5.0 926 739 A 74 THR H A 56 ILE HG1x 1.0 1.8 5.0 927 740 A 56 ILE HG2% A 57 GLN H 1.0 1.8 5.0 928 741 A 56 ILE HG2% A 57 GLN HA 1.0 1.8 5.0 929 742 A 73 ILE HA A 56 ILE HG2% 1.0 1.8 5.0 930 743 A 56 ILE HG2% A 73 ILE HG1y 1.0 1.8 5.0 931 743 A 73 ILE HG1x A 56 ILE HG2% 1.0 1.8 5.0 932 744 A 73 ILE HG2% A 56 ILE HG2% 1.0 1.8 5.0 933 745 A 73 ILE HD1% A 56 ILE HG2% 1.0 1.8 5.0 934 746 A 73 ILE HD1% A 56 ILE HD1% 1.0 1.8 5.0 935 747 A 58 LEU H A 57 GLN H 1.0 1.8 5.0 936 748 A 57 GLN H A 72 PHE H 1.0 1.8 5.0 937 749 A 72 PHE HBy A 57 GLN H 1.0 1.8 5.0 938 750 A 57 GLN H A 72 PHE HBx 1.0 1.8 5.0 939 751 A 73 ILE HA A 57 GLN H 1.0 1.8 3.5 940 752 A 73 ILE HG2% A 57 GLN H 1.0 1.8 5.0 941 753 A 57 GLN HA A 57 GLN HE21 1.0 1.8 5.0 942 754 A 57 GLN HA A 57 GLN HE22 1.0 1.8 5.0 943 755 A 58 LEU H A 57 GLN HA 1.0 1.8 3.5 944 756 A 57 GLN HA A 58 LEU HBx 1.0 1.8 5.0 945 756 A 58 LEU HBy A 57 GLN HA 1.0 1.8 5.0 946 757 A 57 GLN HA A 72 PHE H 1.0 1.8 5.0 947 758 A 57 GLN HE21 A 57 GLN HBy 1.0 1.8 5.0 948 758 A 57 GLN HE22 A 57 GLN HBy 1.0 1.8 5.0 949 759 A 57 GLN HE21 A 57 GLN HBx 1.0 1.8 5.0 950 759 A 57 GLN HE22 A 57 GLN HBx 1.0 1.8 5.0 951 760 A 58 LEU H A 57 GLN HBy 1.0 1.8 5.0 952 761 A 58 LEU H A 57 GLN HBx 1.0 1.8 5.0 953 762 A 72 PHE H A 57 GLN HBy 1.0 1.8 5.0 954 763 A 72 PHE H A 57 GLN HBx 1.0 1.8 5.0 955 764 A 72 PHE HBy A 57 GLN HBy 1.0 1.8 5.0 956 764 A 57 GLN HBy A 72 PHE HBx 1.0 1.8 5.0 957 765 A 72 PHE HBy A 57 GLN HBx 1.0 1.8 5.0 958 765 A 57 GLN HBx A 72 PHE HBx 1.0 1.8 5.0 959 766 A 72 PHE HD% A 57 GLN HBy 1.0 1.8 5.0 960 766 A 72 PHE HD% A 57 GLN HBx 1.0 1.8 5.0 961 767 A 72 PHE H A 57 GLN HGy 1.0 1.8 5.0 962 767 A 72 PHE H A 57 GLN HGx 1.0 1.8 5.0 963 768 A 57 GLN HGy A 72 PHE HBx 1.0 1.8 5.0 964 768 A 57 GLN HGx A 72 PHE HBx 1.0 1.8 5.0 965 768 A 72 PHE HBy A 57 GLN HGy 1.0 1.8 5.0 966 768 A 72 PHE HBy A 57 GLN HGx 1.0 1.8 5.0 967 769 A 58 LEU H A 59 MET H 1.0 1.8 5.0 968 770 A 58 LEU H A 72 PHE H 1.0 1.8 5.0 969 771 A 58 LEU HA A 59 MET H 1.0 1.8 3.5 970 772 A 71 GLY H A 58 LEU HA 1.0 1.8 5.0 971 773 A 58 LEU HA A 71 GLY HAy 1.0 1.8 5.0 972 774 A 71 GLY HAx A 58 LEU HA 1.0 1.8 5.0 973 775 A 58 LEU HA A 72 PHE H 1.0 1.8 5.0 974 776 A 58 LEU HBy A 59 MET H 1.0 1.8 5.0 975 777 A 59 MET H A 58 LEU HBx 1.0 1.8 5.0 976 778 A 60 MET H A 58 LEU HBx 1.0 1.8 5.0 977 778 A 58 LEU HBy A 60 MET H 1.0 1.8 5.0 978 779 A 60 MET HE% A 58 LEU HBx 1.0 1.8 5.0 979 779 A 58 LEU HBy A 60 MET HE% 1.0 1.8 5.0 980 780 A 58 LEU HBx A 71 GLY HAy 1.0 1.8 5.0 981 780 A 58 LEU HBy A 71 GLY HAy 1.0 1.8 5.0 982 780 A 71 GLY HAx A 58 LEU HBx 1.0 1.8 5.0 983 780 A 71 GLY HAx A 58 LEU HBy 1.0 1.8 5.0 984 781 A 58 LEU HG A 71 GLY HAy 1.0 1.8 5.0 985 781 A 71 GLY HAx A 58 LEU HG 1.0 1.8 5.0 986 782 A 58 LEU HD2% A 59 MET H 1.0 1.8 5.0 987 783 A 58 LEU HD1% A 60 MET HE% 1.0 1.8 5.0 988 784 A 58 LEU HD2% A 71 GLY HAy 1.0 1.8 5.0 989 785 A 71 GLY HAx A 58 LEU HD2% 1.0 1.8 5.0 990 786 A 70 TYR HD% A 59 MET H 1.0 1.8 5.0 991 787 A 71 GLY H A 59 MET H 1.0 1.8 5.0 992 788 A 59 MET H A 71 GLY HAy 1.0 1.8 3.5 993 789 A 71 GLY HAx A 59 MET H 1.0 1.8 5.0 994 790 A 60 MET H A 59 MET HA 1.0 1.8 3.5 995 791 A 59 MET HA A 60 MET HBy 1.0 1.8 5.0 996 791 A 59 MET HA A 60 MET HBx 1.0 1.8 5.0 997 792 A 59 MET HA A 71 GLY HAy 1.0 1.8 5.0 998 792 A 71 GLY HAx A 59 MET HA 1.0 1.8 5.0 999 793 A 70 TYR HD% A 59 MET HBx 1.0 1.8 5.0 1000 793 A 70 TYR HD% A 59 MET HBy 1.0 1.8 5.0 1001 794 A 60 MET H A 59 MET HBy 1.0 1.8 5.0 1002 795 A 60 MET H A 59 MET HBx 1.0 1.8 5.0 1003 796 A 71 GLY HAx A 59 MET HBy 1.0 1.8 5.0 1004 796 A 59 MET HBy A 71 GLY HAy 1.0 1.8 5.0 1005 797 A 70 TYR HD% A 59 MET HGx 1.0 1.8 5.0 1006 797 A 70 TYR HD% A 59 MET HGy 1.0 1.8 5.0 1007 798 A 70 TYR HE% A 59 MET HGx 1.0 1.8 5.0 1008 798 A 59 MET HGy A 70 TYR HE% 1.0 1.8 5.0 1009 799 A 59 MET HE% A 59 MET HGx 1.0 1.8 5.0 1010 799 A 59 MET HGy A 59 MET HE% 1.0 1.8 5.0 1011 800 A 70 TYR H A 59 MET HGx 1.0 1.8 5.0 1012 801 A 59 MET HGy A 71 GLY HAy 1.0 1.8 5.0 1013 801 A 59 MET HGx A 71 GLY HAy 1.0 1.8 5.0 1014 801 A 71 GLY HAx A 59 MET HGx 1.0 1.8 5.0 1015 801 A 71 GLY HAx A 59 MET HGy 1.0 1.8 5.0 1016 802 A 72 PHE HE% A 59 MET HGy 1.0 1.8 5.0 1017 803 A 72 PHE HE% A 59 MET HGx 1.0 1.8 5.0 1018 804 A 70 TYR HE% A 59 MET HE% 1.0 1.8 5.0 1019 805 A 60 MET H A 59 MET HE% 1.0 1.8 5.0 1020 806 A 72 PHE HD% A 59 MET HE% 1.0 1.8 5.0 1021 807 A 72 PHE HE% A 59 MET HE% 1.0 1.8 5.0 1022 808 A 60 MET H A 61 ASP H 1.0 1.8 5.0 1023 809 A 60 MET H A 68 LYS H 1.0 1.8 5.0 1024 810 A 61 ASP H A 60 MET HA 1.0 1.8 2.9 1025 811 A 60 MET HA A 67 SER HA 1.0 1.8 3.5 1026 812 A 68 LYS H A 60 MET HA 1.0 1.8 5.0 1027 813 A 60 MET HA A 68 LYS HBx 1.0 1.8 5.0 1028 813 A 60 MET HA A 68 LYS HBy 1.0 1.8 5.0 1029 814 A 60 MET HA A 68 LYS HGx 1.0 1.8 5.0 1030 814 A 60 MET HA A 68 LYS HGy 1.0 1.8 5.0 1031 815 A 69 GLY H A 60 MET HA 1.0 1.8 5.0 1032 816 A 61 ASP H A 60 MET HBy 1.0 1.8 5.0 1033 816 A 60 MET HBx A 61 ASP H 1.0 1.8 5.0 1034 817 A 61 ASP H A 65 GLY H 1.0 1.8 5.0 1035 818 A 61 ASP H A 66 ARG H 1.0 1.8 5.0 1036 819 A 61 ASP HA A 62 SER H 1.0 1.8 5.0 1037 820 A 61 ASP HA A 63 GLU H 1.0 1.8 5.0 1038 821 A 66 ARG H A 61 ASP HA 1.0 1.8 5.0 1039 822 A 63 GLU H A 61 ASP HBx 1.0 1.8 5.0 1040 822 A 63 GLU H A 61 ASP HBy 1.0 1.8 5.0 1041 823 A 61 ASP HBy A 64 THR H 1.0 1.8 5.0 1042 824 A 64 THR H A 61 ASP HBx 1.0 1.8 5.0 1043 825 A 64 THR HG2% A 61 ASP HBx 1.0 1.8 5.0 1044 825 A 61 ASP HBy A 64 THR HG2% 1.0 1.8 5.0 1045 826 A 65 GLY H A 61 ASP HBy 1.0 1.8 5.0 1046 827 A 65 GLY H A 61 ASP HBx 1.0 1.8 5.0 1047 828 A 66 ARG H A 61 ASP HBy 1.0 1.8 5.0 1048 829 A 66 ARG H A 61 ASP HBx 1.0 1.8 5.0 1049 830 A 61 ASP HBy A 66 ARG HBx 1.0 1.8 5.0 1050 830 A 61 ASP HBx A 66 ARG HBx 1.0 1.8 5.0 1051 830 A 66 ARG HBy A 61 ASP HBx 1.0 1.8 5.0 1052 830 A 61 ASP HBy A 66 ARG HBy 1.0 1.8 5.0 1053 831 A 61 ASP HBy A 68 LYS HGx 1.0 1.8 5.0 1054 831 A 61 ASP HBx A 68 LYS HGx 1.0 1.8 5.0 1055 832 A 61 ASP HBx A 68 LYS HDx 1.0 1.8 5.0 1056 832 A 61 ASP HBy A 68 LYS HDx 1.0 1.8 5.0 1057 832 A 68 LYS HDy A 61 ASP HBx 1.0 1.8 5.0 1058 832 A 61 ASP HBy A 68 LYS HDy 1.0 1.8 5.0 1059 833 A 62 SER H A 63 GLU H 1.0 1.8 5.0 1060 834 A 63 GLU H A 62 SER HA 1.0 1.8 5.0 1061 835 A 65 GLY H A 62 SER HA 1.0 1.8 5.0 1062 836 A 63 GLU H A 62 SER HBx 1.0 1.8 5.0 1063 837 A 63 GLU H A 62 SER HBy 1.0 1.8 5.0 1064 838 A 63 GLU H A 64 THR H 1.0 1.8 2.9 1065 839 A 65 GLY H A 63 GLU H 1.0 1.8 5.0 1066 840 A 66 ARG H A 63 GLU H 1.0 1.8 5.0 1067 841 A 64 THR H A 63 GLU HA 1.0 1.8 5.0 1068 842 A 64 THR H A 63 GLU HBx 1.0 1.8 3.5 1069 842 A 64 THR H A 63 GLU HBy 1.0 1.8 3.5 1070 843 A 64 THR HA A 63 GLU HBx 1.0 1.8 5.0 1071 843 A 63 GLU HBy A 64 THR HA 1.0 1.8 5.0 1072 844 A 64 THR HB A 63 GLU HBx 1.0 1.8 5.0 1073 844 A 63 GLU HBy A 64 THR HB 1.0 1.8 5.0 1074 845 A 64 THR HG2% A 63 GLU HBx 1.0 1.8 5.0 1075 845 A 64 THR HG2% A 63 GLU HBy 1.0 1.8 5.0 1076 846 A 65 GLY H A 63 GLU HBx 1.0 1.8 5.0 1077 846 A 65 GLY H A 63 GLU HBy 1.0 1.8 5.0 1078 847 A 64 THR H A 63 GLU HGy 1.0 1.8 5.0 1079 848 A 64 THR H A 63 GLU HGx 1.0 1.8 5.0 1080 849 A 64 THR HG2% A 63 GLU HGy 1.0 1.8 5.0 1081 850 A 64 THR HG2% A 63 GLU HGx 1.0 1.8 5.0 1082 851 A 65 GLY H A 64 THR H 1.0 1.8 2.9 1083 852 A 64 THR H A 65 GLY HAy 1.0 1.8 5.0 1084 853 A 64 THR H A 65 GLY HAx 1.0 1.8 5.0 1085 854 A 66 ARG H A 64 THR H 1.0 1.8 5.0 1086 855 A 64 THR H A 66 ARG HGx 1.0 1.8 5.0 1087 855 A 64 THR H A 66 ARG HGy 1.0 1.8 5.0 1088 856 A 65 GLY H A 64 THR HA 1.0 1.8 5.0 1089 857 A 64 THR HA A 66 ARG HGx 1.0 1.8 5.0 1090 857 A 64 THR HA A 66 ARG HGy 1.0 1.8 5.0 1091 858 A 65 GLY H A 64 THR HB 1.0 1.8 5.0 1092 859 A 64 THR HB A 66 ARG HGx 1.0 1.8 5.0 1093 859 A 64 THR HB A 66 ARG HGy 1.0 1.8 5.0 1094 860 A 65 GLY H A 64 THR HG2% 1.0 1.8 5.0 1095 861 A 66 ARG H A 64 THR HG2% 1.0 1.8 5.0 1096 862 A 64 THR HG2% A 66 ARG HGx 1.0 1.8 5.0 1097 862 A 64 THR HG2% A 66 ARG HGy 1.0 1.8 5.0 1098 863 A 65 GLY H A 66 ARG H 1.0 1.8 3.5 1099 864 A 65 GLY H A 66 ARG HBx 1.0 1.8 5.0 1100 864 A 65 GLY H A 66 ARG HBy 1.0 1.8 5.0 1101 865 A 65 GLY H A 66 ARG HGx 1.0 1.8 5.0 1102 865 A 65 GLY H A 66 ARG HGy 1.0 1.8 5.0 1103 866 A 66 ARG H A 65 GLY HAy 1.0 1.8 5.0 1104 867 A 66 ARG H A 65 GLY HAx 1.0 1.8 5.0 1105 868 A 67 SER H A 66 ARG H 1.0 1.8 5.0 1106 869 A 67 SER H A 66 ARG HA 1.0 1.8 3.5 1107 870 A 66 ARG HA A 67 SER HBx 1.0 1.8 5.0 1108 870 A 67 SER HBy A 66 ARG HA 1.0 1.8 5.0 1109 871 A 67 SER H A 66 ARG HBy 1.0 1.8 5.0 1110 872 A 67 SER H A 66 ARG HBx 1.0 1.8 5.0 1111 873 A 67 SER HA A 66 ARG HBy 1.0 1.8 5.0 1112 874 A 67 SER HA A 66 ARG HBx 1.0 1.8 5.0 1113 875 A 66 ARG HBy A 67 SER HBx 1.0 1.8 5.0 1114 875 A 67 SER HBy A 66 ARG HBx 1.0 1.8 5.0 1115 875 A 67 SER HBy A 66 ARG HBy 1.0 1.8 5.0 1116 875 A 66 ARG HBx A 67 SER HBx 1.0 1.8 5.0 1117 876 A 67 SER H A 66 ARG HGy 1.0 1.8 5.0 1118 877 A 67 SER H A 66 ARG HGx 1.0 1.8 5.0 1119 878 A 67 SER H A 66 ARG HDx 1.0 1.8 5.0 1120 878 A 67 SER H A 66 ARG HDy 1.0 1.8 5.0 1121 879 A 67 SER H A 68 LYS H 1.0 1.8 5.0 1122 880 A 68 LYS H A 67 SER HA 1.0 1.8 2.9 1123 881 A 68 LYS H A 67 SER HBx 1.0 1.8 5.0 1124 882 A 67 SER HBy A 68 LYS H 1.0 1.8 5.0 1125 883 A 69 GLY H A 67 SER HBx 1.0 1.8 5.0 1126 883 A 69 GLY H A 67 SER HBy 1.0 1.8 5.0 1127 884 A 69 GLY H A 68 LYS H 1.0 1.8 3.5 1128 885 A 70 TYR H A 68 LYS H 1.0 1.8 5.0 1129 886 A 69 GLY H A 68 LYS HA 1.0 1.8 5.0 1130 887 A 70 TYR H A 68 LYS HA 1.0 1.8 5.0 1131 888 A 70 TYR HD% A 68 LYS HBy 1.0 1.8 5.0 1132 889 A 70 TYR HD% A 68 LYS HBx 1.0 1.8 5.0 1133 890 A 70 TYR HE% A 68 LYS HBy 1.0 1.8 5.0 1134 891 A 70 TYR HE% A 68 LYS HBx 1.0 1.8 5.0 1135 892 A 69 GLY H A 68 LYS HBy 1.0 1.8 5.0 1136 893 A 69 GLY H A 68 LYS HBx 1.0 1.8 5.0 1137 894 A 70 TYR H A 68 LYS HBy 1.0 1.8 5.0 1138 895 A 70 TYR H A 68 LYS HBx 1.0 1.8 5.0 1139 896 A 70 TYR HE% A 68 LYS HGx 1.0 1.8 5.0 1140 896 A 70 TYR HE% A 68 LYS HGy 1.0 1.8 5.0 1141 897 A 70 TYR HE% A 68 LYS HDy 1.0 1.8 5.0 1142 898 A 70 TYR HE% A 68 LYS HDx 1.0 1.8 5.0 1143 899 A 70 TYR HE% A 68 LYS HEy 1.0 1.8 5.0 1144 899 A 70 TYR HE% A 68 LYS HEx 1.0 1.8 5.0 1145 900 A 70 TYR H A 69 GLY H 1.0 1.8 3.5 1146 901 A 70 TYR H A 69 GLY HAy 1.0 1.8 5.0 1147 902 A 70 TYR H A 69 GLY HAx 1.0 1.8 5.0 1148 903 A 71 GLY H A 70 TYR H 1.0 1.8 5.0 1149 904 A 71 GLY H A 70 TYR HA 1.0 1.8 3.5 1150 905 A 70 TYR HA A 71 GLY HAy 1.0 1.8 5.0 1151 905 A 71 GLY HAx A 70 TYR HA 1.0 1.8 5.0 1152 906 A 71 GLY H A 70 TYR HBy 1.0 1.8 5.0 1153 907 A 71 GLY H A 70 TYR HBx 1.0 1.8 5.0 1154 908 A 31 VAL H A 30 TYR HD% 1.0 1.8 5.0 1155 909 A 31 VAL HA A 30 TYR HD% 1.0 1.8 5.0 1156 910 A 30 TYR HD% A 70 TYR HBx 1.0 1.8 5.0 1157 910 A 30 TYR HD% A 70 TYR HBy 1.0 1.8 5.0 1158 911 A 72 PHE HE% A 30 TYR HD% 1.0 1.8 5.0 1159 912 A 30 TYR HD% A 72 PHE HZ 1.0 1.8 5.0 1160 913 A 30 TYR HD% A 99 LYS HBy 1.0 1.8 5.0 1161 913 A 99 LYS HBx A 30 TYR HD% 1.0 1.8 5.0 1162 914 A 100 VAL HA A 30 TYR HD% 1.0 1.8 5.0 1163 915 A 101 GLY H A 30 TYR HD% 1.0 1.8 5.0 1164 916 A 30 TYR HD% A 101 GLY HAy 1.0 1.8 5.0 1165 916 A 101 GLY HAx A 30 TYR HD% 1.0 1.8 5.0 1166 917 A 103 VAL HA A 30 TYR HD% 1.0 1.8 5.0 1167 918 A 30 TYR HE% A 70 TYR HD% 1.0 1.8 5.0 1168 919 A 30 TYR HE% A 32 GLY H 1.0 1.8 5.0 1169 920 A 30 TYR HE% A 32 GLY HAy 1.0 1.8 5.0 1170 920 A 30 TYR HE% A 32 GLY HAx 1.0 1.8 5.0 1171 921 A 30 TYR HE% A 70 TYR HBy 1.0 1.8 5.0 1172 922 A 30 TYR HE% A 70 TYR HBx 1.0 1.8 5.0 1173 923 A 30 TYR HE% A 99 LYS HBy 1.0 1.8 5.0 1174 923 A 30 TYR HE% A 99 LYS HBx 1.0 1.8 5.0 1175 924 A 101 GLY H A 30 TYR HE% 1.0 1.8 5.0 1176 925 A 71 GLY H A 72 PHE H 1.0 1.8 5.0 1177 926 A 72 PHE H A 71 GLY HAy 1.0 1.8 5.0 1178 927 A 71 GLY HAx A 72 PHE H 1.0 1.8 5.0 1179 928 A 72 PHE HD% A 71 GLY HAy 1.0 1.8 5.0 1180 928 A 72 PHE HD% A 71 GLY HAx 1.0 1.8 5.0 1181 929 A 73 ILE H A 72 PHE H 1.0 1.8 5.0 1182 930 A 73 ILE H A 72 PHE HA 1.0 1.8 3.5 1183 931 A 72 PHE HA A 73 ILE HB 1.0 1.8 5.0 1184 932 A 73 ILE H A 72 PHE HBy 1.0 1.8 5.0 1185 933 A 73 ILE H A 72 PHE HBx 1.0 1.8 5.0 1186 934 A 73 ILE H A 72 PHE HD% 1.0 1.8 5.0 1187 935 A 72 PHE HD% A 103 VAL HG1% 1.0 1.8 5.0 1188 936 A 103 VAL HG2% A 72 PHE HD% 1.0 1.8 5.0 1189 937 A 103 VAL HG1% A 72 PHE HE% 1.0 1.8 5.0 1190 938 A 103 VAL HG2% A 72 PHE HE% 1.0 1.8 5.0 1191 939 A 103 VAL HG1% A 72 PHE HZ 1.0 1.8 5.0 1192 940 A 74 THR H A 73 ILE HA 1.0 1.8 3.5 1193 941 A 73 ILE HA A 74 THR HB 1.0 1.8 5.0 1194 942 A 74 THR H A 73 ILE HB 1.0 1.8 5.0 1195 943 A 74 THR H A 73 ILE HG1x 1.0 1.8 5.0 1196 944 A 74 THR H A 73 ILE HG1y 1.0 1.8 5.0 1197 945 A 74 THR H A 73 ILE HG2% 1.0 1.8 5.0 1198 946 A 73 ILE HG2% A 75 PHE HD% 1.0 1.8 5.0 1199 947 A 73 ILE HG2% A 75 PHE HE% 1.0 1.8 5.0 1200 948 A 73 ILE HD1% A 75 PHE HZ 1.0 1.8 5.0 1201 949 A 74 THR HA A 75 PHE H 1.0 1.8 3.5 1202 950 A 74 THR HA A 75 PHE HD% 1.0 1.8 5.0 1203 951 A 75 PHE H A 74 THR HB 1.0 1.8 5.0 1204 952 A 74 THR HG2% A 75 PHE H 1.0 1.8 5.0 1205 953 A 74 THR HG2% A 75 PHE HA 1.0 1.8 5.0 1206 954 A 74 THR HG2% A 76 SER H 1.0 1.8 5.0 1207 955 A 75 PHE H A 81 ALA HB% 1.0 1.8 5.0 1208 956 A 75 PHE HA A 76 SER H 1.0 1.8 3.5 1209 957 A 75 PHE HA A 76 SER HBy 1.0 1.8 5.0 1210 958 A 75 PHE HBy A 76 SER H 1.0 1.8 5.0 1211 959 A 76 SER H A 75 PHE HBx 1.0 1.8 5.0 1212 960 A 76 SER HA A 75 PHE HBx 1.0 1.8 5.0 1213 960 A 76 SER HA A 75 PHE HBy 1.0 1.8 5.0 1214 961 A 75 PHE HBy A 77 ASP H 1.0 1.8 5.0 1215 962 A 77 ASP H A 75 PHE HBx 1.0 1.8 5.0 1216 963 A 81 ALA H A 75 PHE HBx 1.0 1.8 5.0 1217 963 A 75 PHE HBy A 81 ALA H 1.0 1.8 5.0 1218 964 A 75 PHE HBy A 81 ALA HB% 1.0 1.8 5.0 1219 965 A 81 ALA HB% A 75 PHE HBx 1.0 1.8 5.0 1220 966 A 75 PHE HD% A 76 SER H 1.0 1.8 5.0 1221 967 A 77 ASP H A 75 PHE HD% 1.0 1.8 5.0 1222 968 A 75 PHE HD% A 80 CYS HBx 1.0 1.8 5.0 1223 968 A 75 PHE HD% A 80 CYS HBy 1.0 1.8 5.0 1224 969 A 75 PHE HD% A 81 ALA HA 1.0 1.8 5.0 1225 970 A 81 ALA HB% A 75 PHE HD% 1.0 1.8 5.0 1226 971 A 81 ALA HA A 75 PHE HE% 1.0 1.8 5.0 1227 972 A 75 PHE HZ A 84 ALA HB% 1.0 1.8 5.0 1228 973 A 77 ASP H A 76 SER H 1.0 1.8 5.0 1229 974 A 76 SER H A 77 ASP HBy 1.0 1.8 5.0 1230 975 A 76 SER H A 77 ASP HBx 1.0 1.8 5.0 1231 976 A 76 SER HA A 77 ASP H 1.0 1.8 5.0 1232 977 A 77 ASP H A 76 SER HBy 1.0 1.8 5.0 1233 978 A 77 ASP H A 76 SER HBx 1.0 1.8 5.0 1234 979 A 77 ASP H A 81 ALA HB% 1.0 1.8 5.0 1235 980 A 78 SER H A 77 ASP HA 1.0 1.8 2.9 1236 981 A 77 ASP HA A 79 GLU H 1.0 1.8 5.0 1237 982 A 78 SER H A 77 ASP HBy 1.0 1.8 5.0 1238 983 A 78 SER H A 77 ASP HBx 1.0 1.8 5.0 1239 984 A 77 ASP HBy A 80 CYS H 1.0 1.8 5.0 1240 985 A 77 ASP HBx A 80 CYS H 1.0 1.8 5.0 1241 986 A 78 SER H A 79 GLU H 1.0 1.8 5.0 1242 987 A 78 SER H A 80 CYS H 1.0 1.8 5.0 1243 988 A 78 SER H A 81 ALA H 1.0 1.8 5.0 1244 989 A 78 SER HA A 81 ALA H 1.0 1.8 5.0 1245 990 A 78 SER HA A 81 ALA HB% 1.0 1.8 5.0 1246 991 A 79 GLU H A 78 SER HBy 1.0 1.8 3.5 1247 991 A 78 SER HBx A 79 GLU H 1.0 1.8 3.5 1248 992 A 81 ALA HB% A 78 SER HBy 1.0 1.8 5.0 1249 992 A 81 ALA HB% A 78 SER HBx 1.0 1.8 5.0 1250 993 A 79 GLU H A 80 CYS H 1.0 1.8 3.5 1251 994 A 79 GLU H A 80 CYS HBx 1.0 1.8 5.0 1252 994 A 80 CYS HBy A 79 GLU H 1.0 1.8 5.0 1253 995 A 81 ALA H A 79 GLU H 1.0 1.8 5.0 1254 996 A 82 LYS H A 79 GLU H 1.0 1.8 5.0 1255 997 A 80 CYS H A 79 GLU HA 1.0 1.8 5.0 1256 998 A 82 LYS H A 79 GLU HA 1.0 1.8 3.5 1257 999 A 79 GLU HA A 82 LYS HBx 1.0 1.8 5.0 1258 1000 A 79 GLU HA A 82 LYS HBy 1.0 1.8 5.0 1259 1001 A 79 GLU HA A 82 LYS HEx 1.0 1.8 5.0 1260 1001 A 79 GLU HA A 82 LYS HEy 1.0 1.8 5.0 1261 1002 A 79 GLU HA A 83 LYS H 1.0 1.8 5.0 1262 1003 A 80 CYS H A 79 GLU HGy 1.0 1.8 5.0 1263 1003 A 80 CYS H A 79 GLU HGx 1.0 1.8 5.0 1264 1004 A 79 GLU HGy A 82 LYS HBy 1.0 1.8 5.0 1265 1004 A 79 GLU HGx A 82 LYS HBy 1.0 1.8 5.0 1266 1004 A 82 LYS HBx A 79 GLU HGy 1.0 1.8 5.0 1267 1004 A 79 GLU HGx A 82 LYS HBx 1.0 1.8 5.0 1268 1005 A 81 ALA H A 80 CYS H 1.0 1.8 3.5 1269 1006 A 81 ALA HB% A 80 CYS H 1.0 1.8 5.0 1270 1007 A 82 LYS H A 80 CYS H 1.0 1.8 5.0 1271 1008 A 81 ALA H A 80 CYS HA 1.0 1.8 5.0 1272 1009 A 83 LYS H A 80 CYS HA 1.0 1.8 5.0 1273 1010 A 80 CYS HA A 83 LYS HBy 1.0 1.8 5.0 1274 1010 A 83 LYS HBx A 80 CYS HA 1.0 1.8 5.0 1275 1011 A 80 CYS HA A 83 LYS HDx 1.0 1.8 5.0 1276 1011 A 83 LYS HDy A 80 CYS HA 1.0 1.8 5.0 1277 1012 A 84 ALA HB% A 80 CYS HA 1.0 1.8 5.0 1278 1013 A 81 ALA H A 80 CYS HBy 1.0 1.8 5.0 1279 1014 A 81 ALA H A 80 CYS HBx 1.0 1.8 5.0 1280 1015 A 81 ALA H A 82 LYS H 1.0 1.8 3.5 1281 1016 A 81 ALA H A 82 LYS HBy 1.0 1.8 5.0 1282 1016 A 81 ALA H A 82 LYS HBx 1.0 1.8 5.0 1283 1017 A 81 ALA H A 83 LYS H 1.0 1.8 5.0 1284 1018 A 81 ALA H A 83 LYS HBy 1.0 1.8 5.0 1285 1018 A 81 ALA H A 83 LYS HBx 1.0 1.8 5.0 1286 1019 A 81 ALA H A 84 ALA H 1.0 1.8 5.0 1287 1020 A 81 ALA HA A 82 LYS H 1.0 1.8 5.0 1288 1021 A 81 ALA HA A 83 LYS H 1.0 1.8 5.0 1289 1022 A 81 ALA HA A 84 ALA H 1.0 1.8 5.0 1290 1023 A 81 ALA HA A 84 ALA HB% 1.0 1.8 5.0 1291 1024 A 81 ALA HA A 85 LEU H 1.0 1.8 5.0 1292 1025 A 81 ALA HB% A 82 LYS H 1.0 1.8 5.0 1293 1026 A 82 LYS H A 83 LYS H 1.0 1.8 3.5 1294 1027 A 82 LYS H A 83 LYS HBy 1.0 1.8 5.0 1295 1027 A 82 LYS H A 83 LYS HBx 1.0 1.8 5.0 1296 1028 A 82 LYS H A 84 ALA H 1.0 1.8 5.0 1297 1029 A 82 LYS HA A 83 LYS H 1.0 1.8 5.0 1298 1030 A 82 LYS HA A 83 LYS HA 1.0 1.8 5.0 1299 1031 A 82 LYS HA A 85 LEU H 1.0 1.8 5.0 1300 1032 A 85 LEU HD1% A 82 LYS HA 1.0 1.8 5.0 1301 1033 A 82 LYS HA A 85 LEU HD2% 1.0 1.8 5.0 1302 1034 A 82 LYS HA A 86 GLU H 1.0 1.8 5.0 1303 1035 A 83 LYS H A 82 LYS HBx 1.0 1.8 5.0 1304 1036 A 83 LYS H A 82 LYS HBy 1.0 1.8 5.0 1305 1037 A 83 LYS H A 82 LYS HGx 1.0 1.8 5.0 1306 1037 A 83 LYS H A 82 LYS HGy 1.0 1.8 5.0 1307 1038 A 85 LEU HD1% A 82 LYS HGx 1.0 1.8 5.0 1308 1038 A 85 LEU HD1% A 82 LYS HGy 1.0 1.8 5.0 1309 1039 A 82 LYS HGx A 86 GLU HBy 1.0 1.8 5.0 1310 1039 A 82 LYS HGy A 86 GLU HBy 1.0 1.8 5.0 1311 1039 A 86 GLU HBx A 82 LYS HGx 1.0 1.8 5.0 1312 1039 A 82 LYS HGy A 86 GLU HBx 1.0 1.8 5.0 1313 1040 A 84 ALA H A 83 LYS H 1.0 1.8 3.5 1314 1041 A 84 ALA HB% A 83 LYS H 1.0 1.8 5.0 1315 1042 A 85 LEU H A 83 LYS H 1.0 1.8 5.0 1316 1043 A 83 LYS H A 86 GLU H 1.0 1.8 5.0 1317 1044 A 84 ALA H A 83 LYS HA 1.0 1.8 5.0 1318 1045 A 85 LEU H A 83 LYS HA 1.0 1.8 5.0 1319 1046 A 83 LYS HA A 86 GLU H 1.0 1.8 5.0 1320 1047 A 83 LYS HA A 86 GLU HBy 1.0 1.8 5.0 1321 1047 A 83 LYS HA A 86 GLU HBx 1.0 1.8 5.0 1322 1048 A 87 GLN H A 83 LYS HA 1.0 1.8 5.0 1323 1049 A 84 ALA H A 83 LYS HBy 1.0 1.8 3.5 1324 1049 A 83 LYS HBx A 84 ALA H 1.0 1.8 3.5 1325 1050 A 84 ALA HB% A 83 LYS HBy 1.0 1.8 5.0 1326 1050 A 84 ALA HB% A 83 LYS HBx 1.0 1.8 5.0 1327 1051 A 85 LEU H A 83 LYS HBy 1.0 1.8 5.0 1328 1051 A 85 LEU H A 83 LYS HBx 1.0 1.8 5.0 1329 1052 A 84 ALA H A 83 LYS HGx 1.0 1.8 5.0 1330 1052 A 84 ALA H A 83 LYS HGy 1.0 1.8 5.0 1331 1053 A 84 ALA HB% A 83 LYS HGx 1.0 1.8 5.0 1332 1053 A 84 ALA HB% A 83 LYS HGy 1.0 1.8 5.0 1333 1054 A 83 LYS HGy A 87 GLN HGy 1.0 1.8 5.0 1334 1054 A 83 LYS HGy A 87 GLN HGx 1.0 1.8 5.0 1335 1055 A 87 GLN HGy A 83 LYS HGx 1.0 1.8 5.0 1336 1055 A 83 LYS HGx A 87 GLN HGx 1.0 1.8 5.0 1337 1056 A 87 GLN HE22 A 83 LYS HDx 1.0 1.8 5.0 1338 1056 A 87 GLN HE21 A 83 LYS HDx 1.0 1.8 5.0 1339 1056 A 83 LYS HDy A 87 GLN HE21 1.0 1.8 5.0 1340 1056 A 83 LYS HDy A 87 GLN HE22 1.0 1.8 5.0 1341 1057 A 87 GLN HE21 A 83 LYS HEx 1.0 1.8 5.0 1342 1057 A 83 LYS HEy A 87 GLN HE21 1.0 1.8 5.0 1343 1058 A 87 GLN HE22 A 83 LYS HEx 1.0 1.8 5.0 1344 1058 A 83 LYS HEy A 87 GLN HE22 1.0 1.8 5.0 1345 1059 A 85 LEU H A 84 ALA H 1.0 1.8 3.5 1346 1060 A 84 ALA H A 85 LEU HBx 1.0 1.8 5.0 1347 1060 A 84 ALA H A 85 LEU HBy 1.0 1.8 5.0 1348 1061 A 85 LEU H A 84 ALA HA 1.0 1.8 5.0 1349 1062 A 84 ALA HA A 87 GLN H 1.0 1.8 5.0 1350 1063 A 84 ALA HA A 87 GLN HBy 1.0 1.8 5.0 1351 1064 A 84 ALA HA A 87 GLN HBx 1.0 1.8 5.0 1352 1065 A 84 ALA HA A 88 LEU H 1.0 1.8 5.0 1353 1066 A 88 LEU HD1% A 84 ALA HA 1.0 1.8 5.0 1354 1067 A 85 LEU H A 84 ALA HB% 1.0 1.8 5.0 1355 1068 A 84 ALA HB% A 85 LEU HBx 1.0 1.8 5.0 1356 1068 A 84 ALA HB% A 85 LEU HBy 1.0 1.8 5.0 1357 1069 A 84 ALA HB% A 86 GLU H 1.0 1.8 5.0 1358 1070 A 84 ALA HB% A 88 LEU HBx 1.0 1.8 5.0 1359 1070 A 84 ALA HB% A 88 LEU HBy 1.0 1.8 5.0 1360 1071 A 88 LEU HD1% A 84 ALA HB% 1.0 1.8 5.0 1361 1072 A 88 LEU HD2% A 84 ALA HB% 1.0 1.8 5.0 1362 1073 A 85 LEU H A 86 GLU H 1.0 1.8 3.5 1363 1074 A 85 LEU H A 86 GLU HBy 1.0 1.8 5.0 1364 1074 A 85 LEU H A 86 GLU HBx 1.0 1.8 5.0 1365 1075 A 85 LEU H A 87 GLN H 1.0 1.8 5.0 1366 1076 A 85 LEU H A 100 VAL HG1% 1.0 1.8 5.0 1367 1077 A 85 LEU HA A 86 GLU H 1.0 1.8 5.0 1368 1078 A 85 LEU HA A 87 GLN H 1.0 1.8 5.0 1369 1079 A 85 LEU HA A 88 LEU H 1.0 1.8 5.0 1370 1080 A 85 LEU HA A 88 LEU HG 1.0 1.8 5.0 1371 1081 A 85 LEU HA A 89 ASN H 1.0 1.8 5.0 1372 1082 A 85 LEU HA A 89 ASN HBx 1.0 1.8 5.0 1373 1082 A 85 LEU HA A 89 ASN HBy 1.0 1.8 5.0 1374 1083 A 85 LEU HA A 100 VAL HB 1.0 1.8 5.0 1375 1084 A 85 LEU HA A 100 VAL HG1% 1.0 1.8 5.0 1376 1085 A 86 GLU H A 85 LEU HBy 1.0 1.8 5.0 1377 1086 A 86 GLU H A 85 LEU HBx 1.0 1.8 5.0 1378 1087 A 86 GLU HA A 85 LEU HBx 1.0 1.8 5.0 1379 1087 A 85 LEU HBy A 86 GLU HA 1.0 1.8 5.0 1380 1088 A 85 LEU HBx A 86 GLU HBy 1.0 1.8 5.0 1381 1088 A 85 LEU HBy A 86 GLU HBy 1.0 1.8 5.0 1382 1088 A 86 GLU HBx A 85 LEU HBx 1.0 1.8 5.0 1383 1088 A 86 GLU HBx A 85 LEU HBy 1.0 1.8 5.0 1384 1089 A 100 VAL HG1% A 85 LEU HBx 1.0 1.8 5.0 1385 1089 A 100 VAL HG1% A 85 LEU HBy 1.0 1.8 5.0 1386 1090 A 86 GLU HA A 85 LEU HG 1.0 1.8 5.0 1387 1091 A 85 LEU HG A 89 ASN HD21 1.0 1.8 5.0 1388 1092 A 85 LEU HG A 89 ASN HD22 1.0 1.8 5.0 1389 1093 A 100 VAL HA A 85 LEU HG 1.0 1.8 5.0 1390 1094 A 100 VAL HB A 85 LEU HG 1.0 1.8 5.0 1391 1095 A 100 VAL HG1% A 85 LEU HG 1.0 1.8 5.0 1392 1096 A 101 GLY H A 85 LEU HG 1.0 1.8 5.0 1393 1097 A 85 LEU HG A 101 GLY HAy 1.0 1.8 5.0 1394 1098 A 101 GLY HAx A 85 LEU HG 1.0 1.8 5.0 1395 1099 A 85 LEU HD1% A 86 GLU H 1.0 1.8 5.0 1396 1100 A 85 LEU HD2% A 86 GLU H 1.0 1.8 5.0 1397 1101 A 85 LEU HD2% A 86 GLU HGy 1.0 1.8 5.0 1398 1102 A 85 LEU HD2% A 86 GLU HGx 1.0 1.8 5.0 1399 1103 A 85 LEU HD2% A 89 ASN H 1.0 1.8 5.0 1400 1104 A 85 LEU HD2% A 89 ASN HBx 1.0 1.8 5.0 1401 1104 A 85 LEU HD2% A 89 ASN HBy 1.0 1.8 5.0 1402 1105 A 85 LEU HD1% A 89 ASN HD21 1.0 1.8 5.0 1403 1106 A 85 LEU HD2% A 89 ASN HD21 1.0 1.8 5.0 1404 1107 A 85 LEU HD2% A 89 ASN HD22 1.0 1.8 5.0 1405 1108 A 85 LEU HD1% A 100 VAL HB 1.0 1.8 5.0 1406 1109 A 85 LEU HD2% A 100 VAL HB 1.0 1.8 5.0 1407 1110 A 85 LEU HD1% A 100 VAL HG1% 1.0 1.8 5.0 1408 1111 A 85 LEU HD1% A 101 GLY H 1.0 1.8 5.0 1409 1112 A 85 LEU HD1% A 101 GLY HAy 1.0 1.8 5.0 1410 1113 A 85 LEU HD1% A 101 GLY HAx 1.0 1.8 5.0 1411 1114 A 102 HIS H A 85 LEU HD1% 1.0 1.8 5.0 1412 1115 A 102 HIS H A 85 LEU HD2% 1.0 1.8 5.0 1413 1116 A 102 HIS HD2 A 85 LEU HD1% 1.0 1.8 5.0 1414 1117 A 102 HIS HD2 A 85 LEU HD2% 1.0 1.8 5.0 1415 1118 A 87 GLN H A 86 GLU H 1.0 1.8 3.5 1416 1119 A 88 LEU H A 86 GLU H 1.0 1.8 5.0 1417 1120 A 87 GLN H A 86 GLU HA 1.0 1.8 5.0 1418 1121 A 88 LEU H A 86 GLU HA 1.0 1.8 5.0 1419 1122 A 89 ASN H A 86 GLU HA 1.0 1.8 5.0 1420 1123 A 86 GLU HA A 89 ASN HBx 1.0 1.8 5.0 1421 1123 A 89 ASN HBy A 86 GLU HA 1.0 1.8 5.0 1422 1124 A 87 GLN H A 86 GLU HBy 1.0 1.8 5.0 1423 1124 A 87 GLN H A 86 GLU HBx 1.0 1.8 5.0 1424 1125 A 87 GLN H A 86 GLU HGx 1.0 1.8 5.0 1425 1125 A 87 GLN H A 86 GLU HGy 1.0 1.8 5.0 1426 1126 A 87 GLN H A 88 LEU H 1.0 1.8 3.5 1427 1127 A 87 GLN H A 88 LEU HA 1.0 1.8 5.0 1428 1128 A 87 GLN H A 88 LEU HG 1.0 1.8 5.0 1429 1129 A 88 LEU HD1% A 87 GLN H 1.0 1.8 5.0 1430 1130 A 88 LEU HD2% A 87 GLN H 1.0 1.8 5.0 1431 1131 A 87 GLN H A 89 ASN H 1.0 1.8 5.0 1432 1132 A 88 LEU H A 87 GLN HA 1.0 1.8 5.0 1433 1133 A 88 LEU HA A 87 GLN HA 1.0 1.8 5.0 1434 1134 A 88 LEU H A 87 GLN HBy 1.0 1.8 5.0 1435 1135 A 88 LEU H A 87 GLN HBx 1.0 1.8 5.0 1436 1136 A 87 GLN HBy A 88 LEU HBx 1.0 1.8 5.0 1437 1136 A 87 GLN HBx A 88 LEU HBx 1.0 1.8 5.0 1438 1136 A 88 LEU HBy A 87 GLN HBy 1.0 1.8 5.0 1439 1136 A 88 LEU HBy A 87 GLN HBx 1.0 1.8 5.0 1440 1137 A 88 LEU HG A 87 GLN HBy 1.0 1.8 5.0 1441 1138 A 88 LEU HG A 87 GLN HBx 1.0 1.8 5.0 1442 1139 A 88 LEU HD2% A 87 GLN HBy 1.0 1.8 5.0 1443 1140 A 88 LEU HD2% A 87 GLN HBx 1.0 1.8 5.0 1444 1141 A 88 LEU H A 87 GLN HGx 1.0 1.8 5.0 1445 1141 A 88 LEU H A 87 GLN HGy 1.0 1.8 5.0 1446 1142 A 88 LEU HD2% A 87 GLN HGx 1.0 1.8 5.0 1447 1142 A 88 LEU HD2% A 87 GLN HGy 1.0 1.8 5.0 1448 1143 A 88 LEU H A 89 ASN H 1.0 1.8 3.5 1449 1144 A 88 LEU H A 89 ASN HA 1.0 1.8 5.0 1450 1145 A 89 ASN H A 88 LEU HA 1.0 1.8 5.0 1451 1146 A 88 LEU HA A 91 PHE HA 1.0 1.8 5.0 1452 1147 A 88 LEU HA A 91 PHE HBx 1.0 1.8 5.0 1453 1148 A 88 LEU HA A 91 PHE HBy 1.0 1.8 5.0 1454 1149 A 91 PHE HD% A 88 LEU HA 1.0 1.8 5.0 1455 1150 A 98 MET HE% A 88 LEU HA 1.0 1.8 5.0 1456 1151 A 88 LEU HBy A 89 ASN H 1.0 1.8 5.0 1457 1152 A 89 ASN H A 88 LEU HBx 1.0 1.8 5.0 1458 1153 A 88 LEU HBx A 91 PHE HBy 1.0 1.8 5.0 1459 1153 A 88 LEU HBy A 91 PHE HBy 1.0 1.8 5.0 1460 1153 A 91 PHE HBx A 88 LEU HBx 1.0 1.8 5.0 1461 1153 A 88 LEU HBy A 91 PHE HBx 1.0 1.8 5.0 1462 1154 A 88 LEU HBx A 98 MET HBx 1.0 1.8 5.0 1463 1154 A 98 MET HBy A 88 LEU HBx 1.0 1.8 5.0 1464 1154 A 88 LEU HBy A 98 MET HBy 1.0 1.8 5.0 1465 1154 A 88 LEU HBy A 98 MET HBx 1.0 1.8 5.0 1466 1155 A 98 MET HGy A 88 LEU HBy 1.0 1.8 5.0 1467 1156 A 98 MET HGy A 88 LEU HBx 1.0 1.8 5.0 1468 1157 A 98 MET HE% A 88 LEU HBy 1.0 1.8 5.0 1469 1158 A 98 MET HE% A 88 LEU HBx 1.0 1.8 5.0 1470 1159 A 88 LEU HBy A 100 VAL HB 1.0 1.8 5.0 1471 1160 A 100 VAL HB A 88 LEU HBx 1.0 1.8 5.0 1472 1161 A 100 VAL HG1% A 88 LEU HBy 1.0 1.8 5.0 1473 1162 A 100 VAL HG2% A 88 LEU HBy 1.0 1.8 5.0 1474 1163 A 100 VAL HG1% A 88 LEU HBx 1.0 1.8 5.0 1475 1164 A 100 VAL HG2% A 88 LEU HBx 1.0 1.8 5.0 1476 1165 A 88 LEU HG A 89 ASN H 1.0 1.8 5.0 1477 1166 A 88 LEU HD2% A 89 ASN H 1.0 1.8 5.0 1478 1167 A 88 LEU HD2% A 91 PHE H 1.0 1.8 5.0 1479 1168 A 88 LEU HD2% A 91 PHE HBx 1.0 1.8 5.0 1480 1169 A 88 LEU HD2% A 91 PHE HBy 1.0 1.8 5.0 1481 1170 A 88 LEU HD2% A 91 PHE HD% 1.0 1.8 5.0 1482 1171 A 88 LEU HD2% A 91 PHE HE% 1.0 1.8 5.0 1483 1172 A 98 MET HE% A 88 LEU HD1% 1.0 1.8 5.0 1484 1173 A 98 MET HE% A 88 LEU HD2% 1.0 1.8 5.0 1485 1174 A 100 VAL HG1% A 88 LEU HD1% 1.0 1.8 5.0 1486 1175 A 100 VAL HG2% A 88 LEU HD1% 1.0 1.8 5.0 1487 1176 A 89 ASN H A 90 GLY H 1.0 1.8 5.0 1488 1177 A 89 ASN H A 91 PHE H 1.0 1.8 5.0 1489 1178 A 100 VAL H A 89 ASN H 1.0 1.8 5.0 1490 1179 A 89 ASN H A 100 VAL HB 1.0 1.8 5.0 1491 1180 A 100 VAL HG2% A 89 ASN H 1.0 1.8 5.0 1492 1181 A 89 ASN HD21 A 89 ASN HA 1.0 1.8 5.0 1493 1181 A 89 ASN HD22 A 89 ASN HA 1.0 1.8 5.0 1494 1182 A 89 ASN HA A 90 GLY H 1.0 1.8 3.5 1495 1183 A 89 ASN HA A 90 GLY HAy 1.0 1.8 5.0 1496 1184 A 89 ASN HA A 90 GLY HAx 1.0 1.8 5.0 1497 1185 A 100 VAL H A 89 ASN HA 1.0 1.8 5.0 1498 1186 A 100 VAL HB A 89 ASN HA 1.0 1.8 5.0 1499 1187 A 100 VAL HG2% A 89 ASN HA 1.0 1.8 5.0 1500 1188 A 89 ASN HBy A 90 GLY H 1.0 1.8 5.0 1501 1189 A 90 GLY H A 89 ASN HBx 1.0 1.8 5.0 1502 1190 A 100 VAL H A 89 ASN HBy 1.0 1.8 5.0 1503 1191 A 100 VAL H A 89 ASN HBx 1.0 1.8 5.0 1504 1192 A 89 ASN HBy A 100 VAL HB 1.0 1.8 5.0 1505 1193 A 100 VAL HB A 89 ASN HBx 1.0 1.8 5.0 1506 1194 A 100 VAL HG2% A 89 ASN HBy 1.0 1.8 5.0 1507 1195 A 100 VAL HG2% A 89 ASN HBx 1.0 1.8 5.0 1508 1196 A 100 VAL H A 89 ASN HD21 1.0 1.8 5.0 1509 1196 A 100 VAL H A 89 ASN HD22 1.0 1.8 5.0 1510 1197 A 100 VAL HB A 89 ASN HD21 1.0 1.8 5.0 1511 1198 A 100 VAL HB A 89 ASN HD22 1.0 1.8 5.0 1512 1199 A 100 VAL HG2% A 89 ASN HD21 1.0 1.8 5.0 1513 1199 A 100 VAL HG2% A 89 ASN HD22 1.0 1.8 5.0 1514 1200 A 89 ASN HD22 A 101 GLY HAy 1.0 1.8 5.0 1515 1200 A 101 GLY HAx A 89 ASN HD22 1.0 1.8 5.0 1516 1200 A 89 ASN HD21 A 101 GLY HAy 1.0 1.8 5.0 1517 1200 A 101 GLY HAx A 89 ASN HD21 1.0 1.8 5.0 1518 1201 A 91 PHE H A 90 GLY H 1.0 1.8 3.5 1519 1202 A 90 GLY H A 91 PHE HBy 1.0 1.8 5.0 1520 1202 A 91 PHE HBx A 90 GLY H 1.0 1.8 5.0 1521 1203 A 90 GLY H A 98 MET HBx 1.0 1.8 5.0 1522 1203 A 98 MET HBy A 90 GLY H 1.0 1.8 5.0 1523 1204 A 90 GLY H A 98 MET HGx 1.0 1.8 5.0 1524 1204 A 98 MET HGy A 90 GLY H 1.0 1.8 5.0 1525 1205 A 90 GLY H A 99 LYS HA 1.0 1.8 5.0 1526 1206 A 100 VAL H A 90 GLY H 1.0 1.8 5.0 1527 1207 A 100 VAL HB A 90 GLY H 1.0 1.8 5.0 1528 1208 A 100 VAL HG2% A 90 GLY H 1.0 1.8 5.0 1529 1209 A 91 PHE H A 90 GLY HAy 1.0 1.8 5.0 1530 1210 A 91 PHE H A 90 GLY HAx 1.0 1.8 5.0 1531 1211 A 97 PRO HA A 90 GLY HAy 1.0 1.8 5.0 1532 1211 A 90 GLY HAx A 97 PRO HA 1.0 1.8 5.0 1533 1212 A 97 PRO HBy A 90 GLY HAy 1.0 1.8 5.0 1534 1213 A 90 GLY HAy A 97 PRO HBx 1.0 1.8 5.0 1535 1214 A 90 GLY HAx A 97 PRO HBx 1.0 1.8 5.0 1536 1215 A 98 MET H A 90 GLY HAy 1.0 1.8 5.0 1537 1215 A 90 GLY HAx A 98 MET H 1.0 1.8 5.0 1538 1216 A 91 PHE H A 92 GLU H 1.0 1.8 5.0 1539 1217 A 91 PHE H A 98 MET H 1.0 1.8 5.0 1540 1218 A 91 PHE H A 98 MET HBx 1.0 1.8 5.0 1541 1218 A 98 MET HBy A 91 PHE H 1.0 1.8 5.0 1542 1219 A 91 PHE H A 98 MET HGx 1.0 1.8 5.0 1543 1219 A 98 MET HGy A 91 PHE H 1.0 1.8 5.0 1544 1220 A 98 MET HE% A 91 PHE H 1.0 1.8 5.0 1545 1221 A 100 VAL HG2% A 91 PHE H 1.0 1.8 5.0 1546 1222 A 91 PHE HA A 92 GLU H 1.0 1.8 3.5 1547 1223 A 91 PHE HA A 98 MET HBx 1.0 1.8 5.0 1548 1223 A 91 PHE HA A 98 MET HBy 1.0 1.8 5.0 1549 1224 A 91 PHE HBx A 92 GLU H 1.0 1.8 5.0 1550 1225 A 92 GLU H A 91 PHE HBy 1.0 1.8 5.0 1551 1226 A 91 PHE HBy A 98 MET HBx 1.0 1.8 5.0 1552 1226 A 91 PHE HBx A 98 MET HBx 1.0 1.8 5.0 1553 1226 A 98 MET HBy A 91 PHE HBy 1.0 1.8 5.0 1554 1226 A 91 PHE HBx A 98 MET HBy 1.0 1.8 5.0 1555 1227 A 98 MET HE% A 91 PHE HBx 1.0 1.8 5.0 1556 1228 A 98 MET HE% A 91 PHE HBy 1.0 1.8 5.0 1557 1229 A 91 PHE HD% A 92 GLU H 1.0 1.8 5.0 1558 1230 A 91 PHE HD% A 93 LEU H 1.0 1.8 5.0 1559 1231 A 91 PHE HD% A 93 LEU HA 1.0 1.8 5.0 1560 1232 A 91 PHE HD% A 93 LEU HBx 1.0 1.8 5.0 1561 1232 A 93 LEU HBy A 91 PHE HD% 1.0 1.8 5.0 1562 1233 A 93 LEU HD1% A 91 PHE HD% 1.0 1.8 5.0 1563 1234 A 98 MET HE% A 91 PHE HD% 1.0 1.8 5.0 1564 1235 A 91 PHE HE% A 93 LEU HA 1.0 1.8 5.0 1565 1236 A 93 LEU HD1% A 91 PHE HE% 1.0 1.8 5.0 1566 1237 A 93 LEU HD2% A 91 PHE HE% 1.0 1.8 5.0 1567 1238 A 93 LEU HD1% A 91 PHE HZ 1.0 1.8 5.0 1568 1239 A 92 GLU H A 93 LEU H 1.0 1.8 5.0 1569 1240 A 98 MET H A 92 GLU H 1.0 1.8 5.0 1570 1241 A 93 LEU H A 92 GLU HA 1.0 1.8 2.9 1571 1242 A 92 GLU HA A 93 LEU HBx 1.0 1.8 5.0 1572 1242 A 93 LEU HBy A 92 GLU HA 1.0 1.8 5.0 1573 1243 A 92 GLU HA A 95 GLY HAx 1.0 1.8 5.0 1574 1243 A 92 GLU HA A 95 GLY HAy 1.0 1.8 5.0 1575 1244 A 92 GLU HA A 96 ARG H 1.0 1.8 5.0 1576 1245 A 97 PRO HA A 92 GLU HA 1.0 1.8 5.0 1577 1246 A 98 MET H A 92 GLU HA 1.0 1.8 5.0 1578 1247 A 93 LEU H A 92 GLU HBy 1.0 1.8 5.0 1579 1248 A 93 LEU H A 92 GLU HBx 1.0 1.8 5.0 1580 1249 A 95 GLY H A 92 GLU HBx 1.0 1.8 5.0 1581 1250 A 95 GLY HAy A 92 GLU HBy 1.0 1.8 5.0 1582 1250 A 92 GLU HBy A 95 GLY HAx 1.0 1.8 5.0 1583 1251 A 95 GLY HAy A 92 GLU HBx 1.0 1.8 5.0 1584 1251 A 92 GLU HBx A 95 GLY HAx 1.0 1.8 5.0 1585 1252 A 96 ARG H A 92 GLU HBx 1.0 1.8 5.0 1586 1252 A 96 ARG H A 92 GLU HBy 1.0 1.8 5.0 1587 1253 A 93 LEU H A 94 ALA H 1.0 1.8 5.0 1588 1254 A 93 LEU H A 95 GLY H 1.0 1.8 5.0 1589 1255 A 93 LEU H A 96 ARG H 1.0 1.8 3.5 1590 1256 A 97 PRO HA A 93 LEU H 1.0 1.8 5.0 1591 1257 A 98 MET H A 93 LEU H 1.0 1.8 5.0 1592 1258 A 93 LEU H A 98 MET HBx 1.0 1.8 5.0 1593 1258 A 98 MET HBy A 93 LEU H 1.0 1.8 5.0 1594 1259 A 98 MET HE% A 93 LEU H 1.0 1.8 5.0 1595 1260 A 93 LEU HA A 94 ALA H 1.0 1.8 3.5 1596 1261 A 93 LEU HA A 94 ALA HA 1.0 1.8 5.0 1597 1262 A 94 ALA HB% A 93 LEU HA 1.0 1.8 5.0 1598 1263 A 93 LEU HA A 95 GLY H 1.0 1.8 5.0 1599 1264 A 98 MET HE% A 93 LEU HA 1.0 1.8 5.0 1600 1265 A 93 LEU HBy A 94 ALA H 1.0 1.8 5.0 1601 1266 A 94 ALA H A 93 LEU HBx 1.0 1.8 5.0 1602 1267 A 95 GLY H A 93 LEU HBx 1.0 1.8 5.0 1603 1267 A 93 LEU HBy A 95 GLY H 1.0 1.8 5.0 1604 1268 A 93 LEU HBy A 98 MET HBy 1.0 1.8 5.0 1605 1268 A 93 LEU HBy A 98 MET HBx 1.0 1.8 5.0 1606 1269 A 98 MET HBy A 93 LEU HBx 1.0 1.8 5.0 1607 1269 A 93 LEU HBx A 98 MET HBx 1.0 1.8 5.0 1608 1270 A 98 MET HE% A 93 LEU HBx 1.0 1.8 5.0 1609 1270 A 93 LEU HBy A 98 MET HE% 1.0 1.8 5.0 1610 1271 A 94 ALA H A 93 LEU HG 1.0 1.8 5.0 1611 1272 A 94 ALA HA A 93 LEU HG 1.0 1.8 5.0 1612 1273 A 94 ALA HB% A 93 LEU HG 1.0 1.8 5.0 1613 1274 A 95 GLY H A 93 LEU HG 1.0 1.8 5.0 1614 1275 A 93 LEU HD1% A 94 ALA H 1.0 1.8 5.0 1615 1276 A 94 ALA HB% A 93 LEU HD2% 1.0 1.8 5.0 1616 1277 A 93 LEU HD2% A 98 MET HE% 1.0 1.8 5.0 1617 1278 A 95 GLY H A 94 ALA H 1.0 1.8 3.5 1618 1279 A 96 ARG H A 94 ALA H 1.0 1.8 5.0 1619 1280 A 95 GLY H A 94 ALA HA 1.0 1.8 5.0 1620 1281 A 94 ALA HA A 95 GLY HAx 1.0 1.8 5.0 1621 1281 A 95 GLY HAy A 94 ALA HA 1.0 1.8 5.0 1622 1282 A 96 ARG H A 94 ALA HA 1.0 1.8 5.0 1623 1283 A 94 ALA HB% A 95 GLY H 1.0 1.8 5.0 1624 1284 A 94 ALA HB% A 96 ARG H 1.0 1.8 5.0 1625 1285 A 96 ARG H A 95 GLY H 1.0 1.8 3.5 1626 1286 A 95 GLY H A 96 ARG HBy 1.0 1.8 5.0 1627 1286 A 95 GLY H A 96 ARG HBx 1.0 1.8 5.0 1628 1287 A 96 ARG H A 95 GLY HAx 1.0 1.8 5.0 1629 1288 A 95 GLY HAy A 96 ARG H 1.0 1.8 5.0 1630 1289 A 96 ARG H A 97 PRO HDx 1.0 1.8 5.0 1631 1289 A 96 ARG H A 97 PRO HDy 1.0 1.8 5.0 1632 1290 A 96 ARG HA A 97 PRO HGy 1.0 1.8 5.0 1633 1291 A 96 ARG HA A 97 PRO HGx 1.0 1.8 5.0 1634 1292 A 97 PRO HDy A 96 ARG HA 1.0 1.8 5.0 1635 1293 A 96 ARG HA A 97 PRO HDx 1.0 1.8 5.0 1636 1294 A 96 ARG HBx A 97 PRO HDy 1.0 1.8 5.0 1637 1294 A 97 PRO HDy A 96 ARG HBy 1.0 1.8 5.0 1638 1295 A 96 ARG HBy A 97 PRO HDx 1.0 1.8 5.0 1639 1295 A 96 ARG HBx A 97 PRO HDx 1.0 1.8 5.0 1640 1296 A 97 PRO HGy A 96 ARG HGy 1.0 1.8 5.0 1641 1296 A 97 PRO HGy A 96 ARG HGx 1.0 1.8 5.0 1642 1297 A 97 PRO HDy A 96 ARG HGy 1.0 1.8 5.0 1643 1297 A 97 PRO HDy A 96 ARG HGx 1.0 1.8 5.0 1644 1298 A 96 ARG HGy A 97 PRO HDx 1.0 1.8 5.0 1645 1298 A 96 ARG HGx A 97 PRO HDx 1.0 1.8 5.0 1646 1299 A 97 PRO HA A 98 MET H 1.0 1.8 3.5 1647 1300 A 97 PRO HA A 98 MET HBx 1.0 1.8 5.0 1648 1300 A 98 MET HBy A 97 PRO HA 1.0 1.8 5.0 1649 1301 A 98 MET H A 97 PRO HBy 1.0 1.8 5.0 1650 1302 A 98 MET H A 97 PRO HBx 1.0 1.8 5.0 1651 1303 A 97 PRO HBx A 99 LYS HGy 1.0 1.8 5.0 1652 1303 A 97 PRO HBy A 99 LYS HGy 1.0 1.8 5.0 1653 1303 A 99 LYS HGx A 97 PRO HBx 1.0 1.8 5.0 1654 1303 A 99 LYS HGx A 97 PRO HBy 1.0 1.8 5.0 1655 1304 A 99 LYS H A 98 MET H 1.0 1.8 5.0 1656 1305 A 98 MET HA A 99 LYS H 1.0 1.8 3.5 1657 1306 A 98 MET HA A 99 LYS HBy 1.0 1.8 5.0 1658 1306 A 98 MET HA A 99 LYS HBx 1.0 1.8 5.0 1659 1307 A 98 MET HE% A 98 MET HBx 1.0 1.8 5.0 1660 1307 A 98 MET HE% A 98 MET HBy 1.0 1.8 5.0 1661 1308 A 99 LYS H A 98 MET HBx 1.0 1.8 5.0 1662 1308 A 99 LYS H A 98 MET HBy 1.0 1.8 5.0 1663 1309 A 100 VAL H A 98 MET HBx 1.0 1.8 5.0 1664 1309 A 100 VAL H A 98 MET HBy 1.0 1.8 5.0 1665 1310 A 100 VAL HG2% A 98 MET HBy 1.0 1.8 5.0 1666 1311 A 100 VAL HG2% A 98 MET HBx 1.0 1.8 5.0 1667 1312 A 98 MET HGy A 98 MET HE% 1.0 1.8 5.0 1668 1313 A 98 MET HE% A 98 MET HGx 1.0 1.8 5.0 1669 1314 A 99 LYS H A 98 MET HGy 1.0 1.8 5.0 1670 1315 A 99 LYS H A 98 MET HGx 1.0 1.8 5.0 1671 1316 A 100 VAL HG2% A 98 MET HGy 1.0 1.8 5.0 1672 1317 A 100 VAL HG2% A 98 MET HGx 1.0 1.8 5.0 1673 1318 A 100 VAL HG2% A 98 MET HE% 1.0 1.8 5.0 1674 1319 A 99 LYS H A 100 VAL H 1.0 1.8 5.0 1675 1320 A 100 VAL HG2% A 99 LYS H 1.0 1.8 5.0 1676 1321 A 100 VAL H A 99 LYS HA 1.0 1.8 3.5 1677 1322 A 100 VAL HB A 99 LYS HA 1.0 1.8 5.0 1678 1323 A 100 VAL HG2% A 99 LYS HA 1.0 1.8 5.0 1679 1324 A 100 VAL H A 99 LYS HBy 1.0 1.8 5.0 1680 1324 A 100 VAL H A 99 LYS HBx 1.0 1.8 5.0 1681 1325 A 100 VAL H A 99 LYS HGy 1.0 1.8 5.0 1682 1325 A 100 VAL H A 99 LYS HGx 1.0 1.8 5.0 1683 1326 A 101 GLY H A 100 VAL H 1.0 1.8 5.0 1684 1327 A 101 GLY H A 100 VAL HA 1.0 1.8 2.9 1685 1328 A 101 GLY H A 100 VAL HB 1.0 1.8 5.0 1686 1329 A 100 VAL HB A 101 GLY HAy 1.0 1.8 5.0 1687 1329 A 101 GLY HAx A 100 VAL HB 1.0 1.8 5.0 1688 1330 A 100 VAL HG1% A 101 GLY H 1.0 1.8 5.0 1689 1331 A 100 VAL HG1% A 101 GLY HAy 1.0 1.8 5.0 1690 1331 A 100 VAL HG1% A 101 GLY HAx 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 27 MET O A 75 PHE N 1.0 2.4 3.3 2 2 A 75 PHE H A 27 MET O 1.0 1.5 2.3 3 3 A 29 LEU O A 73 ILE N 1.0 2.4 3.3 4 4 A 73 ILE H A 29 LEU O 1.0 1.5 2.3 5 5 A 30 TYR O A 101 GLY N 1.0 2.4 3.3 6 6 A 101 GLY H A 30 TYR O 1.0 1.5 2.3 7 7 A 31 VAL O A 71 GLY N 1.0 2.4 3.3 8 8 A 71 GLY H A 31 VAL O 1.0 1.5 2.3 9 9 A 40 GLU O A 44 ARG N 1.0 2.4 3.3 10 10 A 44 ARG H A 40 GLU O 1.0 1.5 2.3 11 11 A 41 ASP O A 45 GLY N 1.0 2.4 3.3 12 12 A 45 GLY H A 41 ASP O 1.0 1.5 2.3 13 13 A 42 MET O A 46 ILE N 1.0 2.4 3.3 14 14 A 46 ILE H A 42 MET O 1.0 1.5 2.3 15 15 A 43 LEU O A 47 PHE N 1.0 2.4 3.3 16 16 A 47 PHE H A 43 LEU O 1.0 1.5 2.3 17 17 A 44 ARG O A 48 GLU N 1.0 2.4 3.3 18 18 A 48 GLU H A 44 ARG O 1.0 1.5 2.3 19 19 A 55 SER O A 74 THR N 1.0 2.4 3.3 20 20 A 74 THR H A 55 SER O 1.0 1.5 2.3 21 21 A 57 GLN O A 72 PHE N 1.0 2.4 3.3 22 22 A 72 PHE H A 57 GLN O 1.0 1.5 2.3 23 23 A 70 TYR O A 59 MET N 1.0 2.4 3.3 24 24 A 59 MET H A 70 TYR O 1.0 1.5 2.3 25 25 A 71 GLY O A 31 VAL N 1.0 2.4 3.3 26 26 A 31 VAL H A 71 GLY O 1.0 1.5 2.3 27 27 A 72 PHE O A 57 GLN N 1.0 2.4 3.3 28 28 A 57 GLN H A 72 PHE O 1.0 1.5 2.3 29 29 A 73 ILE O A 29 LEU N 1.0 2.4 3.3 30 30 A 29 LEU H A 73 ILE O 1.0 1.5 2.3 31 31 A 78 SER O A 82 LYS N 1.0 2.4 3.3 32 32 A 82 LYS H A 78 SER O 1.0 1.5 2.3 33 33 A 79 GLU O A 83 LYS N 1.0 2.4 3.3 34 34 A 83 LYS H A 79 GLU O 1.0 1.5 2.3 35 35 A 80 CYS O A 84 ALA N 1.0 2.4 3.3 36 36 A 84 ALA H A 80 CYS O 1.0 1.5 2.3 37 37 A 81 ALA O A 85 LEU N 1.0 2.4 3.3 38 38 A 85 LEU H A 81 ALA O 1.0 1.5 2.3 39 39 A 82 LYS O A 86 GLU N 1.0 2.4 3.3 40 40 A 86 GLU H A 82 LYS O 1.0 1.5 2.3 41 41 A 83 LYS O A 87 GLN N 1.0 2.4 3.3 42 42 A 87 GLN H A 83 LYS O 1.0 1.5 2.3 43 43 A 99 LYS O A 32 GLY N 1.0 2.4 3.3 44 44 A 32 GLY H A 99 LYS O 1.0 1.5 2.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 26 PRO C A 27 MET N A 27 MET CA A 27 MET C 1.0 -150.0 -100.0 PHI 2 2 A 27 MET N A 27 MET CA A 27 MET C A 28 ARG N 1.0 90.0 150.0 PSI 3 3 A 27 MET C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -150.0 -100.0 PHI 4 4 A 28 ARG N A 28 ARG CA A 28 ARG C A 29 LEU N 1.0 90.0 150.0 PSI 5 5 A 28 ARG C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -150.0 -100.0 PHI 6 6 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 TYR N 1.0 90.0 150.0 PSI 7 7 A 29 LEU C A 30 TYR N A 30 TYR CA A 30 TYR C 1.0 -160.0 -90.0 PHI 8 8 A 30 TYR N A 30 TYR CA A 30 TYR C A 31 VAL N 1.0 90.0 150.0 PSI 9 9 A 30 TYR C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -150.0 -100.0 PHI 10 10 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 GLY N 1.0 90.0 150.0 PSI 11 11 A 31 VAL C A 32 GLY N A 32 GLY CA A 32 GLY C 1.0 -150.0 -100.0 PHI 12 12 A 32 GLY N A 32 GLY CA A 32 GLY C A 33 SER N 1.0 90.0 150.0 PSI 13 13 A 32 GLY C A 33 SER N A 33 SER CA A 33 SER C 1.0 -175.0 -115.0 PHI 14 14 A 33 SER N A 33 SER CA A 33 SER C A 34 LEU N 1.0 10.0 50.0 PSI 15 15 A 35 HIS C A 36 PHE N A 36 PHE CA A 36 PHE C 1.0 40.0 80.0 PHI 16 16 A 36 PHE N A 36 PHE CA A 36 PHE C A 37 ASN N 1.0 10.0 50.0 PSI 17 17 A 39 THR C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -85.0 -45.0 PHI 18 18 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 ASP N 1.0 -55.0 -15.0 PSI 19 19 A 40 GLU C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -85.0 -45.0 PHI 20 20 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 MET N 1.0 -55.0 -15.0 PSI 21 21 A 41 ASP C A 42 MET N A 42 MET CA A 42 MET C 1.0 -85.0 -45.0 PHI 22 22 A 42 MET N A 42 MET CA A 42 MET C A 43 LEU N 1.0 -55.0 -15.0 PSI 23 23 A 42 MET C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -85.0 -45.0 PHI 24 24 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 ARG N 1.0 -55.0 -15.0 PSI 25 25 A 43 LEU C A 44 ARG N A 44 ARG CA A 44 ARG C 1.0 -85.0 -45.0 PHI 26 26 A 44 ARG N A 44 ARG CA A 44 ARG C A 45 GLY N 1.0 -55.0 -15.0 PSI 27 27 A 44 ARG C A 45 GLY N A 45 GLY CA A 45 GLY C 1.0 -85.0 -45.0 PHI 28 28 A 45 GLY N A 45 GLY CA A 45 GLY C A 46 ILE N 1.0 -55.0 -15.0 PSI 29 29 A 45 GLY C A 46 ILE N A 46 ILE CA A 46 ILE C 1.0 -85.0 -45.0 PHI 30 30 A 46 ILE N A 46 ILE CA A 46 ILE C A 47 PHE N 1.0 -55.0 -15.0 PSI 31 31 A 46 ILE C A 47 PHE N A 47 PHE CA A 47 PHE C 1.0 -85.0 -45.0 PHI 32 32 A 47 PHE N A 47 PHE CA A 47 PHE C A 48 GLU N 1.0 -55.0 -15.0 PSI 33 33 A 47 PHE C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -85.0 -45.0 PHI 34 34 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 PRO N 1.0 -55.0 -15.0 PSI 35 35 A 54 GLU C A 55 SER N A 55 SER CA A 55 SER C 1.0 -150.0 -100.0 PHI 36 36 A 55 SER N A 55 SER CA A 55 SER C A 56 ILE N 1.0 90.0 150.0 PSI 37 37 A 55 SER C A 56 ILE N A 56 ILE CA A 56 ILE C 1.0 -150.0 -100.0 PHI 38 38 A 56 ILE N A 56 ILE CA A 56 ILE C A 57 GLN N 1.0 90.0 150.0 PSI 39 39 A 56 ILE C A 57 GLN N A 57 GLN CA A 57 GLN C 1.0 -150.0 -100.0 PHI 40 40 A 57 GLN N A 57 GLN CA A 57 GLN C A 58 LEU N 1.0 90.0 150.0 PSI 41 41 A 57 GLN C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -150.0 -100.0 PHI 42 42 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 MET N 1.0 90.0 150.0 PSI 43 43 A 58 LEU C A 59 MET N A 59 MET CA A 59 MET C 1.0 -155.0 -95.0 PHI 44 44 A 59 MET N A 59 MET CA A 59 MET C A 60 MET N 1.0 90.0 150.0 PSI 45 45 A 69 GLY C A 70 TYR N A 70 TYR CA A 70 TYR C 1.0 -150.0 -100.0 PHI 46 46 A 70 TYR N A 70 TYR CA A 70 TYR C A 71 GLY N 1.0 80.0 160.0 PSI 47 47 A 70 TYR C A 71 GLY N A 71 GLY CA A 71 GLY C 1.0 -150.0 -100.0 PHI 48 48 A 71 GLY N A 71 GLY CA A 71 GLY C A 72 PHE N 1.0 80.0 160.0 PSI 49 49 A 71 GLY C A 72 PHE N A 72 PHE CA A 72 PHE C 1.0 -150.0 -100.0 PHI 50 50 A 72 PHE N A 72 PHE CA A 72 PHE C A 73 ILE N 1.0 90.0 150.0 PSI 51 51 A 72 PHE C A 73 ILE N A 73 ILE CA A 73 ILE C 1.0 -150.0 -100.0 PHI 52 52 A 73 ILE N A 73 ILE CA A 73 ILE C A 74 THR N 1.0 90.0 150.0 PSI 53 53 A 73 ILE C A 74 THR N A 74 THR CA A 74 THR C 1.0 -150.0 -100.0 PHI 54 54 A 74 THR N A 74 THR CA A 74 THR C A 75 PHE N 1.0 90.0 150.0 PSI 55 55 A 74 THR C A 75 PHE N A 75 PHE CA A 75 PHE C 1.0 -150.0 -100.0 PHI 56 56 A 75 PHE N A 75 PHE CA A 75 PHE C A 76 SER N 1.0 90.0 150.0 PSI 57 57 A 77 ASP C A 78 SER N A 78 SER CA A 78 SER C 1.0 -100.0 -30.0 PHI 58 58 A 78 SER N A 78 SER CA A 78 SER C A 79 GLU N 1.0 -75.0 5.0 PSI 59 59 A 78 SER C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -100.0 -30.0 PHI 60 60 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 CYS N 1.0 -75.0 5.0 PSI 61 61 A 79 GLU C A 80 CYS N A 80 CYS CA A 80 CYS C 1.0 -100.0 -30.0 PHI 62 62 A 80 CYS N A 80 CYS CA A 80 CYS C A 81 ALA N 1.0 -75.0 5.0 PSI 63 63 A 80 CYS C A 81 ALA N A 81 ALA CA A 81 ALA C 1.0 -100.0 -30.0 PHI 64 64 A 81 ALA N A 81 ALA CA A 81 ALA C A 82 LYS N 1.0 -75.0 5.0 PSI 65 65 A 81 ALA C A 82 LYS N A 82 LYS CA A 82 LYS C 1.0 -100.0 -30.0 PHI 66 66 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 LYS N 1.0 -75.0 5.0 PSI 67 67 A 82 LYS C A 83 LYS N A 83 LYS CA A 83 LYS C 1.0 -100.0 -30.0 PHI 68 68 A 83 LYS N A 83 LYS CA A 83 LYS C A 84 ALA N 1.0 -75.0 5.0 PSI 69 69 A 83 LYS C A 84 ALA N A 84 ALA CA A 84 ALA C 1.0 -100.0 -30.0 PHI 70 70 A 84 ALA N A 84 ALA CA A 84 ALA C A 85 LEU N 1.0 -75.0 5.0 PSI 71 71 A 84 ALA C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -100.0 -30.0 PHI 72 72 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 GLU N 1.0 -75.0 5.0 PSI 73 73 A 85 LEU C A 86 GLU N A 86 GLU CA A 86 GLU C 1.0 -100.0 -30.0 PHI 74 74 A 86 GLU N A 86 GLU CA A 86 GLU C A 87 GLN N 1.0 -75.0 5.0 PSI 75 75 A 86 GLU C A 87 GLN N A 87 GLN CA A 87 GLN C 1.0 -100.0 -30.0 PHI 76 76 A 87 GLN N A 87 GLN CA A 87 GLN C A 88 LEU N 1.0 -75.0 5.0 PSI 77 77 A 97 PRO C A 98 MET N A 98 MET CA A 98 MET C 1.0 -150.0 -100.0 PHI 78 78 A 98 MET N A 98 MET CA A 98 MET C A 99 LYS N 1.0 90.0 150.0 PSI 79 79 A 98 MET C A 99 LYS N A 99 LYS CA A 99 LYS C 1.0 -160.0 -90.0 PHI 80 80 A 99 LYS N A 99 LYS CA A 99 LYS C A 100 VAL N 1.0 90.0 150.0 PSI 81 81 A 99 LYS C A 100 VAL N A 100 VAL CA A 100 VAL C 1.0 -160.0 -90.0 PHI 82 82 A 100 VAL N A 100 VAL CA A 100 VAL C A 101 GLY N 1.0 90.0 150.0 PSI 83 83 A 100 VAL C A 101 GLY N A 101 GLY CA A 101 GLY C 1.0 -150.0 -100.0 PHI 84 84 A 101 GLY N A 101 GLY CA A 101 GLY C A 102 HIS N 1.0 80.0 160.0 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 11.497 2 13C 23.997 3 1H 14.000 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 1 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 11.497 2 15N 27.002 3 1H 14.000 stop_ save_