data_nef_c15074_2jmo save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 2 1 ZN ZN 1 28 CYS SG 2 1 ZN ZN 1 33 CYS SG 2 1 ZN ZN 1 48 CYS SG 2 1 ZN ZN 1 56 CYS SG 2 2 ZN ZN 1 61 CYS SG 2 2 ZN ZN 1 64 CYS SG 2 2 ZN ZN 1 69 HIS NE2 2 2 ZN ZN 1 73 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 HIS middle . . 3 A 3 MET middle . . 4 A 4 GLY middle . false 5 A 5 GLU middle . . 6 A 6 GLU middle . . 7 A 7 GLN middle . . 8 A 8 TYR middle . . 9 A 9 ASN middle . . 10 A 10 ARG middle . . 11 A 11 TYR middle . . 12 A 12 GLN middle . . 13 A 13 GLN middle . . 14 A 14 TYR middle . . 15 A 15 GLY middle . false 16 A 16 ALA middle . . 17 A 17 GLU middle . . 18 A 18 GLU middle . . 19 A 19 CYS middle . . 20 A 20 VAL middle . . 21 A 21 LEU middle . . 22 A 22 GLN middle . . 23 A 23 MET middle . . 24 A 24 GLY middle . false 25 A 25 GLY middle . false 26 A 26 VAL middle . . 27 A 27 LEU middle . . 28 A 28 CYS middle -HG . 29 A 29 PRO middle . false 30 A 30 ARG middle . . 31 A 31 PRO middle . false 32 A 32 GLY middle . false 33 A 33 CYS middle -HG . 34 A 34 GLY middle . false 35 A 35 ALA middle . . 36 A 36 GLY middle . false 37 A 37 LEU middle . . 38 A 38 LEU middle . . 39 A 39 PRO middle . false 40 A 40 GLU middle . . 41 A 41 PRO middle . false 42 A 42 ASP middle . . 43 A 43 GLN middle . . 44 A 44 ARG middle . . 45 A 45 LYS middle . . 46 A 46 VAL middle . . 47 A 47 THR middle . . 48 A 48 CYS middle -HG . 49 A 49 GLU middle . . 50 A 50 GLY middle . false 51 A 51 GLY middle . false 52 A 52 ASN middle . . 53 A 53 GLY middle . false 54 A 54 LEU middle . . 55 A 55 GLY middle . false 56 A 56 CYS middle -HG . 57 A 57 GLY middle . false 58 A 58 PHE middle . . 59 A 59 ALA middle . . 60 A 60 PHE middle . . 61 A 61 CYS middle -HG . 62 A 62 ARG middle . . 63 A 63 GLU middle . . 64 A 64 CYS middle -HG . 65 A 65 LYS middle . . 66 A 66 GLU middle . . 67 A 67 ALA middle . . 68 A 68 TYR middle . . 69 A 69 HIS middle -HE2 . 70 A 70 GLU middle . . 71 A 71 GLY middle . false 72 A 72 GLU middle . . 73 A 73 CYS middle -HG . 74 A 74 SER middle . . 75 A 75 ALA middle . . 76 A 76 VAL middle . . 77 A 77 PHE middle . . 78 A 78 GLU middle . . 79 A 79 ALA middle . . 80 A 80 SER end . . 81 B 1 ZN . . . 82 B 2 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY H H 1 10.276 . A 1 GLY HAy H 1 4.219 . A 1 GLY HAx H 1 3.983 . A 1 GLY CA C 13 45.298 . A 1 GLY N N 15 119.556 . A 2 HIS H H 1 7.929 . A 2 HIS HD2 H 1 7.054 . A 2 HIS HE1 H 1 7.946 . A 2 HIS CB C 13 31.017 . A 2 HIS CD2 C 13 119.738 . A 2 HIS CE1 C 13 137.988 . A 2 HIS N N 15 118.946 . A 3 MET HA H 1 4.537 . A 3 MET HG2 H 1 2.632 . A 3 MET HG3 H 1 2.632 . A 3 MET C C 13 176.240 . A 3 MET CA C 13 55.681 . A 3 MET CB C 13 33.063 . A 3 MET CG C 13 32.095 . A 4 GLY H H 1 8.155 . A 4 GLY HA2 H 1 4.031 . A 4 GLY HA3 H 1 4.031 . A 4 GLY C C 13 174.348 . A 4 GLY CA C 13 45.418 . A 4 GLY N N 15 108.673 . A 5 GLU H H 1 8.351 . A 5 GLU HA H 1 4.275 . A 5 GLU HB2 H 1 1.954 . A 5 GLU HB3 H 1 1.954 . A 5 GLU HG2 H 1 2.303 . A 5 GLU HG3 H 1 2.303 . A 5 GLU C C 13 177.037 . A 5 GLU CA C 13 57.098 . A 5 GLU CB C 13 30.282 . A 5 GLU CG C 13 36.361 . A 5 GLU N N 15 120.605 . A 6 GLU H H 1 8.641 . A 6 GLU HA H 1 4.248 . A 6 GLU HB2 H 1 1.981 . A 6 GLU HB3 H 1 1.981 . A 6 GLU HG2 H 1 2.277 . A 6 GLU HG3 H 1 2.277 . A 6 GLU C C 13 176.799 . A 6 GLU CA C 13 57.344 . A 6 GLU CB C 13 29.842 . A 6 GLU CG C 13 36.256 . A 6 GLU N N 15 121.425 . A 7 GLN H H 1 8.304 . A 7 GLN HE2y H 1 7.471 . A 7 GLN HE2x H 1 6.833 . A 7 GLN HG2 H 1 2.223 . A 7 GLN HG3 H 1 2.223 . A 7 GLN C C 13 175.537 . A 7 GLN CA C 13 56.292 . A 7 GLN CB C 13 29.164 . A 7 GLN CG C 13 33.767 . A 7 GLN N N 15 120.185 . A 7 GLN NE2 N 15 112.332 . A 8 TYR H H 1 8.221 . A 8 TYR HA H 1 4.606 . A 8 TYR HBy H 1 3.105 . A 8 TYR HBx H 1 2.920 . A 8 TYR HD1 H 1 7.148 . A 8 TYR HD2 H 1 7.148 . A 8 TYR HE1 H 1 6.808 . A 8 TYR HE2 H 1 6.808 . A 8 TYR C C 13 175.728 . A 8 TYR CA C 13 58.138 . A 8 TYR CB C 13 38.766 . A 8 TYR N N 15 120.918 . A 9 ASN H H 1 8.288 . A 9 ASN HA H 1 4.654 . A 9 ASN HBy H 1 2.782 . A 9 ASN HBx H 1 2.763 . A 9 ASN HD2y H 1 7.587 . A 9 ASN HD2x H 1 6.931 . A 9 ASN C C 13 175.439 . A 9 ASN CA C 13 53.435 . A 9 ASN CB C 13 38.790 . A 9 ASN N N 15 120.180 . A 9 ASN ND2 N 15 112.465 . A 10 ARG H H 1 8.128 . A 10 ARG HA H 1 4.171 . A 10 ARG HB2 H 1 1.706 . A 10 ARG HB3 H 1 1.706 . A 10 ARG HD2 H 1 3.135 . A 10 ARG HD3 H 1 3.135 . A 10 ARG HG2 H 1 1.442 . A 10 ARG HG3 H 1 1.442 . A 10 ARG C C 13 176.244 . A 10 ARG CA C 13 57.023 . A 10 ARG CB C 13 30.535 . A 10 ARG CD C 13 43.525 . A 10 ARG CG C 13 26.992 . A 10 ARG N N 15 121.014 . A 11 TYR H H 1 8.108 . A 11 TYR HA H 1 4.543 . A 11 TYR HBy H 1 3.102 . A 11 TYR HBx H 1 2.966 . A 11 TYR HD1 H 1 7.081 . A 11 TYR HD2 H 1 7.081 . A 11 TYR HE1 H 1 6.808 . A 11 TYR HE2 H 1 6.808 . A 11 TYR C C 13 175.929 . A 11 TYR CA C 13 58.219 . A 11 TYR CB C 13 38.365 . A 11 TYR N N 15 119.776 . A 12 GLN H H 1 8.050 . A 12 GLN HA H 1 4.269 . A 12 GLN HB2 H 1 1.927 . A 12 GLN HB3 H 1 1.927 . A 12 GLN HE2y H 1 7.423 . A 12 GLN HE2x H 1 6.828 . A 12 GLN HG2 H 1 2.288 . A 12 GLN HG3 H 1 2.288 . A 12 GLN C C 13 175.917 . A 12 GLN CA C 13 56.240 . A 12 GLN CB C 13 29.463 . A 12 GLN CG C 13 33.711 . A 12 GLN N N 15 120.992 . A 12 GLN NE2 N 15 112.057 . A 13 GLN H H 1 8.065 . A 13 GLN HA H 1 4.202 . A 13 GLN HB2 H 1 1.953 . A 13 GLN HB3 H 1 1.953 . A 13 GLN HE2y H 1 7.419 . A 13 GLN HE2x H 1 6.827 . A 13 GLN HG2 H 1 2.238 . A 13 GLN HG3 H 1 2.238 . A 13 GLN C C 13 175.644 . A 13 GLN CA C 13 56.242 . A 13 GLN CB C 13 29.394 . A 13 GLN CG C 13 33.672 . A 13 GLN N N 15 120.539 . A 13 GLN NE2 N 15 112.102 . A 14 TYR H H 1 8.212 . A 14 TYR HA H 1 4.572 . A 14 TYR HBy H 1 3.101 . A 14 TYR HBx H 1 2.942 . A 14 TYR HD1 H 1 7.101 . A 14 TYR HD2 H 1 7.101 . A 14 TYR HE1 H 1 6.789 . A 14 TYR HE2 H 1 6.789 . A 14 TYR C C 13 176.382 . A 14 TYR CA C 13 57.958 . A 14 TYR CB C 13 38.983 . A 14 TYR CD1 C 13 133.111 . A 14 TYR CD2 C 13 133.111 . A 14 TYR CE1 C 13 118.072 . A 14 TYR CE2 C 13 118.072 . A 14 TYR N N 15 120.582 . A 15 GLY H H 1 8.405 . A 15 GLY HA2 H 1 3.933 . A 15 GLY HA3 H 1 3.933 . A 15 GLY C C 13 173.776 . A 15 GLY CA C 13 45.407 . A 15 GLY N N 15 110.724 . A 16 ALA H H 1 8.160 . A 16 ALA HA H 1 4.302 . A 16 ALA HB% H 1 1.426 . A 16 ALA C C 13 178.147 . A 16 ALA CA C 13 53.034 . A 16 ALA CB C 13 19.392 . A 16 ALA N N 15 123.489 . A 17 GLU H H 1 8.612 . A 17 GLU HA H 1 4.169 . A 17 GLU HB2 H 1 2.020 . A 17 GLU HB3 H 1 2.020 . A 17 GLU HG2 H 1 2.322 . A 17 GLU HG3 H 1 2.322 . A 17 GLU C C 13 177.000 . A 17 GLU CA C 13 57.837 . A 17 GLU CB C 13 29.881 . A 17 GLU CG C 13 36.552 . A 17 GLU N N 15 119.373 . A 18 GLU H H 1 8.413 . A 18 GLU HA H 1 4.210 . A 18 GLU HB2 H 1 2.006 . A 18 GLU HB3 H 1 2.006 . A 18 GLU HG2 H 1 2.291 . A 18 GLU HG3 H 1 2.291 . A 18 GLU C C 13 177.015 . A 18 GLU CA C 13 57.641 . A 18 GLU CB C 13 29.980 . A 18 GLU CG C 13 36.223 . A 18 GLU N N 15 120.184 . A 19 CYS H H 1 8.253 . A 19 CYS HA H 1 4.381 . A 19 CYS HB2 H 1 2.942 . A 19 CYS HB3 H 1 2.942 . A 19 CYS C C 13 175.552 . A 19 CYS CA C 13 59.819 . A 19 CYS CB C 13 27.554 . A 19 CYS N N 15 119.775 . A 20 VAL H H 1 8.051 . A 20 VAL HA H 1 3.939 . A 20 VAL HB H 1 2.092 . A 20 VAL HGx% H 1 0.930 . A 20 VAL HGy% H 1 0.903 . A 20 VAL C C 13 173.904 . A 20 VAL CA C 13 64.113 . A 20 VAL CB C 13 32.316 . A 20 VAL CGx C 13 20.951 . A 20 VAL CGy C 13 21.084 . A 20 VAL N N 15 121.008 . A 21 LEU H H 1 8.190 . A 21 LEU HA H 1 4.648 . A 21 LEU HBy H 1 1.728 . A 21 LEU HBx H 1 1.563 . A 21 LEU HDx% H 1 0.928 . A 21 LEU HDy% H 1 0.864 . A 21 LEU CA C 13 54.565 . A 21 LEU CB C 13 41.542 . A 21 LEU CD2 C 13 22.842 . A 21 LEU N N 15 123.470 . A 22 GLN H H 1 8.322 . A 22 GLN HA H 1 4.046 . A 22 GLN HE2y H 1 7.528 . A 22 GLN HE2x H 1 6.806 . A 22 GLN C C 13 176.428 . A 22 GLN CA C 13 56.800 . A 22 GLN CB C 13 29.116 . A 22 GLN CG C 13 33.918 . A 22 GLN N N 15 120.999 . A 22 GLN NE2 N 15 112.059 . A 23 MET H H 1 7.958 . A 23 MET HA H 1 4.487 . A 23 MET HBy H 1 2.221 . A 23 MET HBx H 1 2.062 . A 23 MET HE% H 1 2.098 . A 23 MET HG2 H 1 2.602 . A 23 MET HG3 H 1 2.602 . A 23 MET C C 13 176.558 . A 23 MET CA C 13 55.842 . A 23 MET CB C 13 32.712 . A 23 MET CE C 13 16.999 . A 23 MET CG C 13 32.065 . A 23 MET N N 15 118.950 . A 24 GLY H H 1 8.549 . A 24 GLY HAy H 1 4.163 . A 24 GLY HAx H 1 3.919 . A 24 GLY C C 13 174.799 . A 24 GLY CA C 13 45.547 . A 24 GLY N N 15 110.724 . A 25 GLY H H 1 8.216 . A 25 GLY HAy H 1 4.455 . A 25 GLY HAx H 1 3.921 . A 25 GLY C C 13 172.658 . A 25 GLY CA C 13 45.087 . A 25 GLY N N 15 107.443 . A 26 VAL H H 1 8.726 . A 26 VAL HA H 1 4.533 . A 26 VAL HB H 1 2.101 . A 26 VAL HGx% H 1 1.060 . A 26 VAL HGy% H 1 1.049 . A 26 VAL C C 13 172.923 . A 26 VAL CA C 13 59.864 . A 26 VAL CB C 13 35.551 . A 26 VAL CGy C 13 21.587 . A 26 VAL CGx C 13 21.165 . A 26 VAL N N 15 116.467 . A 27 LEU H H 1 8.201 . A 27 LEU HA H 1 5.057 . A 27 LEU HBy H 1 1.498 . A 27 LEU HBx H 1 1.260 . A 27 LEU HDx% H 1 0.848 . A 27 LEU HDy% H 1 0.777 . A 27 LEU HG H 1 1.618 . A 27 LEU C C 13 176.746 . A 27 LEU CA C 13 53.134 . A 27 LEU CB C 13 42.926 . A 27 LEU CD1 C 13 25.169 . A 27 LEU CDx C 13 23.418 . A 27 LEU CDy C 13 25.169 . A 27 LEU N N 15 124.428 . A 28 CYS H H 1 8.902 . A 28 CYS HA H 1 4.158 . A 28 CYS HBy H 1 3.390 . A 28 CYS HBx H 1 2.949 . A 28 CYS CA C 13 57.728 . A 28 CYS CB C 13 32.175 . A 28 CYS N N 15 127.173 . A 29 PRO HA H 1 4.410 . A 29 PRO HBy H 1 2.070 . A 29 PRO HBx H 1 2.004 . A 29 PRO HDy H 1 3.817 . A 29 PRO HDx H 1 3.631 . A 29 PRO HGx H 1 1.484 . A 29 PRO HGy H 1 1.492 . A 29 PRO C C 13 177.459 . A 29 PRO CA C 13 62.872 . A 29 PRO CB C 13 32.813 . A 29 PRO CD C 13 50.587 . A 29 PRO CG C 13 27.052 . A 30 ARG H H 1 9.132 . A 30 ARG HA H 1 4.087 . A 30 ARG HB2 H 1 1.722 . A 30 ARG HB3 H 1 1.722 . A 30 ARG HDy H 1 2.738 . A 30 ARG HDx H 1 2.442 . A 30 ARG HGy H 1 1.342 . A 30 ARG HGx H 1 1.221 . A 30 ARG CA C 13 55.102 . A 30 ARG CB C 13 29.469 . A 30 ARG CD C 13 42.850 . A 30 ARG CG C 13 26.506 . A 30 ARG N N 15 127.589 . A 31 PRO HA H 1 4.242 . A 31 PRO HBy H 1 2.258 . A 31 PRO HBx H 1 1.843 . A 31 PRO HDx H 1 3.438 . A 31 PRO HDy H 1 3.991 . A 31 PRO HGy H 1 2.056 . A 31 PRO HGx H 1 1.969 . A 31 PRO C C 13 177.828 . A 31 PRO CA C 13 64.202 . A 31 PRO CB C 13 31.518 . A 31 PRO CD C 13 51.089 . A 31 PRO CG C 13 27.689 . A 32 GLY H H 1 8.773 . A 32 GLY HAy H 1 4.065 . A 32 GLY HAx H 1 3.706 . A 32 GLY C C 13 173.340 . A 32 GLY CA C 13 45.272 . A 32 GLY N N 15 111.942 . A 33 CYS H H 1 7.749 . A 33 CYS HA H 1 4.528 . A 33 CYS HBy H 1 3.046 . A 33 CYS HBx H 1 2.560 . A 33 CYS CA C 13 60.515 . A 33 CYS CB C 13 29.641 . A 33 CYS N N 15 123.343 . A 34 GLY H H 1 8.351 . A 34 GLY HAy H 1 4.120 . A 34 GLY HAx H 1 3.911 . A 34 GLY C C 13 173.849 . A 34 GLY CA C 13 46.225 . A 34 GLY N N 15 106.570 . A 35 ALA H H 1 8.591 . A 35 ALA HA H 1 4.091 . A 35 ALA HB% H 1 1.429 . A 35 ALA C C 13 176.818 . A 35 ALA CA C 13 53.757 . A 35 ALA CB C 13 20.271 . A 35 ALA N N 15 125.109 . A 36 GLY H H 1 8.348 . A 36 GLY HAy H 1 4.412 . A 36 GLY HAx H 1 3.479 . A 36 GLY C C 13 177.324 . A 36 GLY CA C 13 45.847 . A 36 GLY N N 15 106.607 . A 37 LEU H H 1 8.190 . A 37 LEU HA H 1 4.753 . A 37 LEU HBx H 1 1.426 . A 37 LEU HBy H 1 1.789 . A 37 LEU HDx% H 1 1.085 . A 37 LEU HDy% H 1 1.141 . A 37 LEU HG H 1 1.806 . A 37 LEU C C 13 177.064 . A 37 LEU CB C 13 44.730 . A 37 LEU CD1 C 13 25.826 . A 37 LEU CD2 C 13 24.055 . A 37 LEU CG C 13 27.405 . A 37 LEU N N 15 123.541 . A 38 LEU H H 1 8.210 . A 38 LEU HA H 1 4.981 . A 38 LEU HBy H 1 1.705 . A 38 LEU HBx H 1 1.448 . A 38 LEU HDx% H 1 0.866 . A 38 LEU HDy% H 1 0.866 . A 38 LEU HG H 1 1.555 . A 38 LEU CA C 13 51.755 . A 38 LEU CB C 13 42.309 . A 38 LEU CD1 C 13 24.800 . A 38 LEU CD2 C 13 24.800 . A 38 LEU N N 15 124.280 . A 39 PRO HA H 1 4.600 . A 39 PRO HBy H 1 2.229 . A 39 PRO HBx H 1 2.041 . A 39 PRO HDy H 1 3.769 . A 39 PRO HDx H 1 3.565 . A 39 PRO HGy H 1 1.890 . A 39 PRO HGx H 1 1.738 . A 39 PRO C C 13 176.647 . A 39 PRO CA C 13 62.130 . A 39 PRO CB C 13 32.686 . A 39 PRO CD C 13 50.373 . A 39 PRO CG C 13 27.353 . A 40 GLU H H 1 8.631 . A 40 GLU HA H 1 4.485 . A 40 GLU HB2 H 1 1.865 . A 40 GLU HB3 H 1 1.865 . A 40 GLU HG2 H 1 2.391 . A 40 GLU HG3 H 1 2.391 . A 40 GLU CA C 13 55.067 . A 40 GLU CB C 13 29.310 . A 40 GLU N N 15 122.240 . A 41 PRO HA H 1 3.869 . A 41 PRO HBy H 1 2.323 . A 41 PRO HBx H 1 1.897 . A 41 PRO HDy H 1 3.861 . A 41 PRO HDx H 1 3.773 . A 41 PRO HG2 H 1 2.062 . A 41 PRO HG3 H 1 2.062 . A 41 PRO C C 13 176.908 . A 41 PRO CA C 13 64.772 . A 41 PRO CB C 13 32.172 . A 41 PRO CD C 13 50.698 . A 41 PRO CG C 13 27.606 . A 42 ASP H H 1 8.486 . A 42 ASP HA H 1 4.456 . A 42 ASP HBy H 1 2.795 . A 42 ASP HBx H 1 2.736 . A 42 ASP C C 13 175.265 . A 42 ASP CA C 13 54.480 . A 42 ASP CB C 13 40.139 . A 42 ASP N N 15 114.895 . A 43 GLN H H 1 7.280 . A 43 GLN HA H 1 4.420 . A 43 GLN HBy H 1 2.106 . A 43 GLN HBx H 1 1.887 . A 43 GLN HE2y H 1 7.626 . A 43 GLN HE2x H 1 6.862 . A 43 GLN HG2 H 1 2.312 . A 43 GLN HG3 H 1 2.312 . A 43 GLN CA C 13 54.877 . A 43 GLN CB C 13 30.219 . A 43 GLN CG C 13 33.257 . A 43 GLN N N 15 118.523 . A 43 GLN NE2 N 15 112.691 . A 44 ARG H H 1 8.207 . A 44 ARG HA H 1 4.206 . A 44 ARG HB2 H 1 2.054 . A 44 ARG HB3 H 1 2.054 . A 44 ARG HDx H 1 3.232 . A 44 ARG HDy H 1 3.536 . A 44 ARG HG2 H 1 1.751 . A 44 ARG HG3 H 1 1.751 . A 44 ARG C C 13 175.581 . A 44 ARG CA C 13 58.285 . A 44 ARG CB C 13 32.175 . A 44 ARG CD C 13 43.504 . A 44 ARG CG C 13 29.877 . A 44 ARG N N 15 120.127 . A 45 LYS H H 1 7.909 . A 45 LYS HA H 1 3.985 . A 45 LYS HBx H 1 0.477 . A 45 LYS HBy H 1 1.351 . A 45 LYS HDy H 1 0.943 . A 45 LYS HDx H 1 0.768 . A 45 LYS HE2 H 1 2.225 . A 45 LYS HE3 H 1 2.225 . A 45 LYS HGy H 1 0.539 . A 45 LYS HGx H 1 -0.003 . A 45 LYS C C 13 174.753 . A 45 LYS CA C 13 56.378 . A 45 LYS CB C 13 32.190 . A 45 LYS CD C 13 29.203 . A 45 LYS CE C 13 41.834 . A 45 LYS CG C 13 24.554 . A 45 LYS N N 15 118.935 . A 46 VAL H H 1 8.574 . A 46 VAL HA H 1 3.870 . A 46 VAL HB H 1 0.164 . A 46 VAL HGx% H 1 0.503 . A 46 VAL HGy% H 1 0.501 . A 46 VAL C C 13 173.589 . A 46 VAL CA C 13 60.777 . A 46 VAL CB C 13 32.263 . A 46 VAL CGy C 13 23.559 . A 46 VAL CGx C 13 21.145 . A 46 VAL N N 15 130.468 . A 47 THR H H 1 8.098 . A 47 THR HA H 1 4.864 . A 47 THR HB H 1 3.726 . A 47 THR HG2% H 1 0.880 . A 47 THR C C 13 173.666 . A 47 THR CA C 13 61.070 . A 47 THR CB C 13 69.693 . A 47 THR CG2 C 13 21.483 . A 47 THR N N 15 120.392 . A 48 CYS H H 1 8.928 . A 48 CYS HA H 1 4.581 . A 48 CYS HBy H 1 3.499 . A 48 CYS HBx H 1 3.150 . A 48 CYS C C 13 174.212 . A 48 CYS CA C 13 59.848 . A 48 CYS CB C 13 29.425 . A 48 CYS N N 15 130.472 . A 49 GLU H H 1 7.552 . A 49 GLU HA H 1 4.647 . A 49 GLU HBy H 1 2.003 . A 49 GLU HBx H 1 1.968 . A 49 GLU HG2 H 1 2.143 . A 49 GLU HG3 H 1 2.143 . A 49 GLU C C 13 175.297 . A 49 GLU CA C 13 55.852 . A 49 GLU CB C 13 31.404 . A 49 GLU CG C 13 35.186 . A 49 GLU N N 15 128.705 . A 50 GLY H H 1 8.459 . A 50 GLY HAy H 1 4.128 . A 50 GLY HAx H 1 3.916 . A 50 GLY C C 13 174.247 . A 50 GLY CA C 13 45.243 . A 50 GLY N N 15 109.953 . A 51 GLY H H 1 8.548 . A 51 GLY HA2 H 1 3.991 . A 51 GLY HA3 H 1 3.991 . A 51 GLY C C 13 174.381 . A 51 GLY CA C 13 45.714 . A 51 GLY N N 15 109.074 . A 52 ASN H H 1 8.740 . A 52 ASN HA H 1 4.566 . A 52 ASN HBy H 1 2.928 . A 52 ASN HBx H 1 2.849 . A 52 ASN HD2y H 1 7.620 . A 52 ASN HD2x H 1 6.945 . A 52 ASN C C 13 175.686 . A 52 ASN CA C 13 53.618 . A 52 ASN CB C 13 38.009 . A 52 ASN N N 15 118.415 . A 52 ASN ND2 N 15 112.520 . A 53 GLY H H 1 8.367 . A 53 GLY HAy H 1 4.101 . A 53 GLY HAx H 1 3.808 . A 53 GLY C C 13 174.323 . A 53 GLY CA C 13 45.675 . A 53 GLY N N 15 107.419 . A 54 LEU H H 1 7.703 . A 54 LEU HA H 1 4.405 . A 54 LEU HBy H 1 1.671 . A 54 LEU HBx H 1 1.542 . A 54 LEU HDx% H 1 0.946 . A 54 LEU HDy% H 1 0.868 . A 54 LEU HG H 1 1.612 . A 54 LEU C C 13 177.359 . A 54 LEU CA C 13 55.162 . A 54 LEU CB C 13 42.742 . A 54 LEU CDy C 13 25.061 . A 54 LEU CDx C 13 23.482 . A 54 LEU CG C 13 27.017 . A 54 LEU N N 15 121.020 . A 55 GLY H H 1 8.265 . A 55 GLY HA2 H 1 4.112 . A 55 GLY HA3 H 1 4.112 . A 55 GLY C C 13 174.453 . A 55 GLY CA C 13 45.438 . A 55 GLY N N 15 109.910 . A 56 CYS H H 1 10.071 . A 56 CYS HA H 1 4.928 . A 56 CYS HBy H 1 3.182 . A 56 CYS HBx H 1 3.044 . A 56 CYS C C 13 177.993 . A 56 CYS CA C 13 59.541 . A 56 CYS CB C 13 32.099 . A 56 CYS N N 15 124.504 . A 57 GLY H H 1 9.174 . A 57 GLY HAy H 1 4.313 . A 57 GLY HAx H 1 3.668 . A 57 GLY C C 13 173.686 . A 57 GLY CA C 13 45.860 . A 57 GLY N N 15 114.428 . A 58 PHE H H 1 9.036 . A 58 PHE HA H 1 4.623 . A 58 PHE HBy H 1 3.516 . A 58 PHE HBx H 1 3.066 . A 58 PHE HD1 H 1 7.311 . A 58 PHE HD2 H 1 7.311 . A 58 PHE HE1 H 1 7.286 . A 58 PHE HE2 H 1 7.286 . A 58 PHE C C 13 173.896 . A 58 PHE CA C 13 58.969 . A 58 PHE CB C 13 41.132 . A 58 PHE N N 15 125.130 . A 59 ALA H H 1 7.570 . A 59 ALA HA H 1 5.486 . A 59 ALA HB% H 1 1.101 . A 59 ALA C C 13 176.469 . A 59 ALA CA C 13 49.817 . A 59 ALA CB C 13 19.826 . A 59 ALA N N 15 128.638 . A 60 PHE H H 1 9.387 . A 60 PHE HA H 1 5.204 . A 60 PHE HBy H 1 2.709 . A 60 PHE HBx H 1 2.425 . A 60 PHE HD1 H 1 6.999 . A 60 PHE HD2 H 1 6.999 . A 60 PHE HE1 H 1 7.078 . A 60 PHE HE2 H 1 7.078 . A 60 PHE C C 13 172.955 . A 60 PHE CA C 13 54.353 . A 60 PHE CB C 13 42.246 . A 60 PHE CD1 C 13 133.606 . A 60 PHE CD2 C 13 133.606 . A 60 PHE N N 15 121.410 . A 61 CYS H H 1 8.772 . A 61 CYS HA H 1 4.754 . A 61 CYS HBy H 1 3.695 . A 61 CYS HBx H 1 2.522 . A 61 CYS C C 13 177.353 . A 61 CYS CA C 13 58.032 . A 61 CYS CB C 13 32.242 . A 61 CYS N N 15 120.610 . A 62 ARG H H 1 9.535 . A 62 ARG HA H 1 4.027 . A 62 ARG HBy H 1 1.819 . A 62 ARG HBx H 1 1.786 . A 62 ARG HDx H 1 3.184 . A 62 ARG HDy H 1 3.239 . A 62 ARG HG2 H 1 1.557 . A 62 ARG HG3 H 1 1.557 . A 62 ARG C C 13 175.657 . A 62 ARG CA C 13 59.330 . A 62 ARG CB C 13 31.196 . A 62 ARG CD C 13 44.038 . A 62 ARG CG C 13 26.907 . A 62 ARG N N 15 130.041 . A 63 GLU H H 1 8.721 . A 63 GLU HA H 1 4.394 . A 63 GLU HB2 H 1 2.328 . A 63 GLU HB3 H 1 2.328 . A 63 GLU HG2 H 1 2.315 . A 63 GLU HG3 H 1 2.315 . A 63 GLU C C 13 177.341 . A 63 GLU CA C 13 58.404 . A 63 GLU CB C 13 30.501 . A 63 GLU CG C 13 35.825 . A 63 GLU N N 15 118.534 . A 64 CYS H H 1 8.050 . A 64 CYS HA H 1 4.962 . A 64 CYS HBy H 1 3.415 . A 64 CYS HBx H 1 3.126 . A 64 CYS C C 13 176.019 . A 64 CYS CA C 13 58.858 . A 64 CYS CB C 13 32.103 . A 64 CYS N N 15 116.495 . A 65 LYS H H 1 8.489 . A 65 LYS HA H 1 4.191 . A 65 LYS HBy H 1 1.766 . A 65 LYS HBx H 1 1.630 . A 65 LYS HE2 H 1 3.044 . A 65 LYS HE3 H 1 3.044 . A 65 LYS HGy H 1 1.450 . A 65 LYS HGx H 1 1.428 . A 65 LYS C C 13 174.742 . A 65 LYS CA C 13 58.883 . A 65 LYS CB C 13 28.865 . A 65 LYS CD C 13 26.049 . A 65 LYS CE C 13 42.739 . A 65 LYS CG C 13 25.673 . A 65 LYS N N 15 117.320 . A 66 GLU H H 1 8.272 . A 66 GLU HA H 1 4.721 . A 66 GLU HB2 H 1 2.373 . A 66 GLU HB3 H 1 2.373 . A 66 GLU HG2 H 1 2.485 . A 66 GLU HG3 H 1 2.485 . A 66 GLU C C 13 175.422 . A 66 GLU CA C 13 55.285 . A 66 GLU CB C 13 31.666 . A 66 GLU CG C 13 36.542 . A 66 GLU N N 15 117.719 . A 67 ALA H H 1 8.766 . A 67 ALA HA H 1 4.177 . A 67 ALA HB% H 1 1.611 . A 67 ALA C C 13 177.459 . A 67 ALA CA C 13 53.019 . A 67 ALA CB C 13 18.548 . A 67 ALA N N 15 120.597 . A 68 TYR H H 1 8.061 . A 68 TYR HA H 1 4.531 . A 68 TYR HBy H 1 3.068 . A 68 TYR HBx H 1 2.954 . A 68 TYR HD1 H 1 6.708 . A 68 TYR HD2 H 1 6.708 . A 68 TYR HE1 H 1 6.520 . A 68 TYR HE2 H 1 6.520 . A 68 TYR CA C 13 58.242 . A 68 TYR CB C 13 38.531 . A 68 TYR CD1 C 13 131.637 . A 68 TYR CD2 C 13 131.637 . A 68 TYR CE1 C 13 119.132 . A 68 TYR CE2 C 13 119.132 . A 68 TYR N N 15 120.592 . A 69 HIS HA H 1 4.643 . A 69 HIS HBx H 1 3.011 . A 69 HIS HBy H 1 3.122 . A 69 HIS HD2 H 1 6.696 . A 69 HIS HE1 H 1 7.768 . A 69 HIS C C 13 173.158 . A 69 HIS CA C 13 51.310 . A 69 HIS CB C 13 32.038 . A 69 HIS CD2 C 13 126.993 . A 69 HIS CE1 C 13 140.198 . A 70 GLU H H 1 8.796 . A 70 GLU HA H 1 4.238 . A 70 GLU HBy H 1 2.140 . A 70 GLU HBx H 1 1.837 . A 70 GLU HGy H 1 2.388 . A 70 GLU HGx H 1 2.266 . A 70 GLU C C 13 178.838 . A 70 GLU CA C 13 55.450 . A 70 GLU CB C 13 30.527 . A 70 GLU CG C 13 35.829 . A 70 GLU N N 15 120.194 . A 71 GLY H H 1 8.876 . A 71 GLY HAy H 1 4.082 . A 71 GLY HAx H 1 3.910 . A 71 GLY C C 13 173.634 . A 71 GLY CA C 13 45.615 . A 71 GLY N N 15 111.118 . A 72 GLU H H 1 8.391 . A 72 GLU HA H 1 4.360 . A 72 GLU HBy H 1 2.114 . A 72 GLU HBx H 1 1.908 . A 72 GLU HG2 H 1 2.376 . A 72 GLU HG3 H 1 2.376 . A 72 GLU C C 13 177.319 . A 72 GLU CA C 13 56.571 . A 72 GLU CB C 13 30.411 . A 72 GLU CG C 13 36.411 . A 72 GLU N N 15 118.939 . A 73 CYS H H 1 8.574 . A 73 CYS HA H 1 3.770 . A 73 CYS HBy H 1 2.909 . A 73 CYS HBx H 1 2.716 . A 73 CYS C C 13 176.052 . A 73 CYS CA C 13 60.416 . A 73 CYS CB C 13 30.793 . A 73 CYS N N 15 123.479 . A 74 SER H H 1 8.541 . A 74 SER HA H 1 4.288 . A 74 SER HB2 H 1 3.784 . A 74 SER HB3 H 1 3.784 . A 74 SER C C 13 174.140 . A 74 SER CA C 13 58.591 . A 74 SER CB C 13 63.626 . A 74 SER N N 15 117.297 . A 75 ALA H H 1 8.092 . A 75 ALA HA H 1 4.312 . A 75 ALA HB% H 1 1.331 . A 75 ALA C C 13 177.173 . A 75 ALA CA C 13 52.403 . A 75 ALA CB C 13 19.546 . A 75 ALA N N 15 125.952 . A 76 VAL H H 1 7.934 . A 76 VAL HA H 1 4.028 . A 76 VAL HB H 1 1.954 . A 76 VAL HGx% H 1 0.846 . A 76 VAL HGy% H 1 0.836 . A 76 VAL C C 13 175.784 . A 76 VAL CA C 13 62.265 . A 76 VAL CB C 13 32.893 . A 76 VAL CGx C 13 20.463 . A 76 VAL CGy C 13 21.127 . A 76 VAL N N 15 118.959 . A 77 PHE H H 1 8.283 . A 77 PHE HA H 1 4.670 . A 77 PHE HBy H 1 3.120 . A 77 PHE HBx H 1 3.017 . A 77 PHE HD1 H 1 7.252 . A 77 PHE HD2 H 1 7.252 . A 77 PHE C C 13 175.335 . A 77 PHE CA C 13 57.588 . A 77 PHE CB C 13 39.899 . A 77 PHE CD1 C 13 133.045 . A 77 PHE CD2 C 13 133.045 . A 77 PHE N N 15 124.298 . A 78 GLU H H 1 8.262 . A 78 GLU HA H 1 4.251 . A 78 GLU HB2 H 1 1.859 . A 78 GLU HB3 H 1 1.859 . A 78 GLU HG2 H 1 2.235 . A 78 GLU HG3 H 1 2.235 . A 78 GLU C C 13 175.451 . A 78 GLU CA C 13 56.179 . A 78 GLU CB C 13 30.676 . A 78 GLU CG C 13 36.121 . A 78 GLU N N 15 123.482 . A 79 ALA H H 1 8.279 . A 79 ALA HA H 1 4.341 . A 79 ALA HB% H 1 1.415 . A 79 ALA C C 13 176.767 . A 79 ALA CA C 13 52.512 . A 79 ALA CB C 13 19.493 . A 79 ALA N N 15 126.363 . A 80 SER H H 1 7.960 . A 80 SER HA H 1 4.253 . A 80 SER HB2 H 1 3.838 . A 80 SER HB3 H 1 3.838 . A 80 SER CA C 13 59.938 . A 80 SER CB C 13 65.031 . A 80 SER N N 15 121.409 . stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 26 VAL HA A 26 VAL HGx% 1.0 . 3.81 2 2 A 26 VAL HA A 26 VAL HGy% 1.0 . 3.81 3 3 A 27 LEU HA A 27 LEU HDy% 1.0 . 3.99 4 4 A 18 GLU HA A 21 LEU HBx 1.0 . 5.50 5 5 A 27 LEU HA A 34 GLY HAy 1.0 . 5.50 6 6 A 23 MET HG2 A 23 MET HE% 1.0 . 4.61 7 7 A 23 MET HE% A 23 MET HG3 1.0 . 4.61 8 8 A 20 VAL HA A 20 VAL HGx% 1.0 . 3.82 9 9 A 20 VAL HA A 20 VAL HGy% 1.0 . 3.82 10 10 A 10 ARG HA A 10 ARG HD2 1.0 . 5.50 11 11 A 10 ARG HA A 10 ARG HD3 1.0 . 5.50 12 12 A 10 ARG HA A 10 ARG HG2 1.0 . 4.24 13 13 A 10 ARG HA A 10 ARG HG3 1.0 . 4.24 14 14 A 30 ARG HA A 31 PRO HDx 1.0 . 3.10 15 15 A 30 ARG HA A 31 PRO HDy 1.0 . 3.10 16 16 A 13 GLN HA A 13 GLN HG2 1.0 . 3.97 17 17 A 13 GLN HA A 13 GLN HG3 1.0 . 3.97 18 18 A 11 TYR HA A 11 TYR HD2 1.0 . 3.33 19 19 A 14 TYR HA A 14 TYR HD1 1.0 . 3.74 20 20 A 17 GLU HA A 17 GLU HG2 1.0 . 4.11 21 21 A 17 GLU HA A 17 GLU HG3 1.0 . 4.11 22 22 A 18 GLU HA A 21 LEU HBy 1.0 . 5.50 23 23 A 28 CYS HA A 29 PRO HGx 1.0 . 5.50 24 24 A 65 LYS HE3 A 26 VAL HGx% 1.0 . 5.50 25 24 A 26 VAL HGx% A 65 LYS HE2 1.0 . 5.50 26 25 A 65 LYS HE3 A 26 VAL HGy% 1.0 . 5.50 27 25 A 26 VAL HGy% A 65 LYS HE2 1.0 . 5.50 28 26 A 38 LEU HDy% A 38 LEU HBy 1.0 . 3.78 29 27 A 76 VAL HA A 76 VAL HGx% 1.0 . 3.62 30 28 A 76 VAL HA A 76 VAL HGy% 1.0 . 3.62 31 29 A 69 HIS HE1 A 73 CYS HA 1.0 . 3.53 32 30 A 72 GLU HA A 72 GLU HG2 1.0 . 4.06 33 31 A 72 GLU HA A 72 GLU HG3 1.0 . 4.06 34 32 A 70 GLU HA A 70 GLU HGy 1.0 . 3.50 35 33 A 70 GLU HA A 70 GLU HGx 1.0 . 3.50 36 34 A 60 PHE HBx A 67 ALA HA 1.0 . 4.79 37 35 A 60 PHE HBx A 67 ALA HB% 1.0 . 5.33 38 36 A 67 ALA HB% A 66 GLU HB3 1.0 . 5.50 39 37 A 67 ALA HB% A 60 PHE HA 1.0 . 4.67 40 38 A 65 LYS HGx A 66 GLU HA 1.0 . 4.75 41 39 A 66 GLU HA A 65 LYS HE2 1.0 . 5.50 42 39 A 65 LYS HE3 A 66 GLU HA 1.0 . 5.50 43 40 A 60 PHE HD2 A 65 LYS HA 1.0 . 3.36 44 41 A 65 LYS HE3 A 65 LYS HBx 1.0 . 4.82 45 41 A 65 LYS HBx A 65 LYS HE2 1.0 . 4.82 46 42 A 65 LYS HE3 A 65 LYS HBy 1.0 . 4.82 47 42 A 65 LYS HBy A 65 LYS HE2 1.0 . 4.82 48 43 A 63 GLU HA A 65 LYS HGy 1.0 . 5.50 49 44 A 63 GLU HA A 23 MET HBy 1.0 . 3.72 50 45 A 63 GLU HA A 23 MET HBx 1.0 . 3.72 51 46 A 63 GLU HA A 63 GLU HG2 1.0 . 3.90 52 47 A 63 GLU HA A 63 GLU HG3 1.0 . 3.90 53 48 A 60 PHE HD2 A 62 ARG HA 1.0 . 4.18 54 49 A 62 ARG HA A 26 VAL HGx% 1.0 . 5.50 55 50 A 62 ARG HA A 26 VAL HGy% 1.0 . 5.50 56 51 A 62 ARG HA A 46 VAL HGx% 1.0 . 5.50 57 52 A 61 CYS HBy A 68 TYR HD1 1.0 . 3.86 58 53 A 68 TYR HD1 A 61 CYS HBx 1.0 . 4.60 59 54 A 60 PHE HA A 60 PHE HD2 1.0 . 5.50 60 55 A 60 PHE HD2 A 60 PHE HBy 1.0 . 3.72 61 56 A 59 ALA HB% A 45 LYS HGx 1.0 . 5.30 62 57 A 59 ALA HB% A 47 THR HG2% 1.0 . 5.00 63 58 A 60 PHE HBx A 59 ALA HB% 1.0 . 5.29 64 59 A 59 ALA HB% A 47 THR HB 1.0 . 5.50 65 60 A 59 ALA HB% A 45 LYS HA 1.0 . 5.39 66 61 A 59 ALA HB% A 47 THR HA 1.0 . 3.50 67 62 A 59 ALA HB% A 60 PHE HD1 1.0 . 4.67 68 63 A 54 LEU HBx A 54 LEU HDx% 1.0 . 3.63 69 64 A 54 LEU HBx A 54 LEU HDy% 1.0 . 3.63 70 65 A 27 LEU HA A 27 LEU HDx% 1.0 . 3.99 71 66 A 49 GLU HA A 55 GLY HA2 1.0 . 4.29 72 67 A 49 GLU HA A 55 GLY HA3 1.0 . 4.29 73 68 A 47 THR HG2% A 49 GLU HG2 1.0 . 5.26 74 69 A 47 THR HG2% A 49 GLU HG3 1.0 . 5.26 75 70 A 37 LEU HDx% A 48 CYS HA 1.0 . 3.12 76 71 A 47 THR HG2% A 48 CYS HA 1.0 . 5.50 77 72 A 37 LEU HDx% A 48 CYS HBy 1.0 . 5.50 78 73 A 37 LEU HDy% A 48 CYS HBy 1.0 . 5.50 79 74 A 47 THR HG2% A 47 THR HA 1.0 . 3.77 80 75 A 47 THR HB A 49 GLU HG3 1.0 . 5.50 81 76 A 47 THR HG2% A 59 ALA HA 1.0 . 4.00 82 77 A 46 VAL HA A 46 VAL HGx% 1.0 . 3.55 83 78 A 46 VAL HA A 46 VAL HGy% 1.0 . 3.55 84 79 A 59 ALA HA A 46 VAL HB 1.0 . 5.50 85 80 A 39 PRO HBy A 46 VAL HGy% 1.0 . 5.50 86 81 A 39 PRO HBx A 46 VAL HGy% 1.0 . 5.50 87 82 A 62 ARG HA A 46 VAL HGy% 1.0 . 5.50 88 83 A 60 PHE HD1 A 46 VAL HGy% 1.0 . 5.50 89 84 A 39 PRO HGy A 46 VAL HGx% 1.0 . 5.21 90 85 A 68 TYR HD1 A 45 LYS HA 1.0 . 4.54 91 86 A 75 ALA HA A 76 VAL HB 1.0 . 4.84 92 87 A 40 GLU HA A 41 PRO HDy 1.0 . 3.12 93 88 A 40 GLU HA A 41 PRO HDx 1.0 . 3.12 94 89 A 46 VAL HGx% A 39 PRO HBx 1.0 . 5.50 95 90 A 46 VAL HGx% A 39 PRO HGx 1.0 . 5.21 96 91 A 39 PRO HGx A 46 VAL HGy% 1.0 . 5.21 97 92 A 39 PRO HGy A 46 VAL HGy% 1.0 . 5.21 98 93 A 38 LEU HA A 39 PRO HDy 1.0 . 3.57 99 94 A 38 LEU HA A 39 PRO HDx 1.0 . 3.57 100 95 A 38 LEU HBy A 38 LEU HDx% 1.0 . 3.78 101 96 A 38 LEU HBx A 38 LEU HDx% 1.0 . 3.78 102 97 A 38 LEU HDy% A 38 LEU HBx 1.0 . 3.78 103 98 A 35 ALA HB% A 28 CYS HBy 1.0 . 3.87 104 99 A 35 ALA HB% A 28 CYS HBx 1.0 . 3.87 105 100 A 68 TYR HD1 A 46 VAL HGy% 1.0 . 5.50 106 101 A 60 PHE HD2 A 46 VAL HGy% 1.0 . 5.50 107 102 A 67 ALA HA A 60 PHE HBy 1.0 . 5.50 108 103 A 47 THR HB A 49 GLU HG2 1.0 . 5.50 109 104 A 60 PHE HD2 A 46 VAL HGx% 1.0 . 5.50 110 105 A 62 ARG HA A 62 ARG HDx 1.0 . 5.50 111 106 A 62 ARG HA A 62 ARG HDy 1.0 . 5.50 112 107 A 46 VAL HGx% A 39 PRO HBy 1.0 . 5.50 113 108 A 39 PRO HA A 46 VAL HGx% 1.0 . 5.50 114 109 A 39 PRO HA A 46 VAL HGy% 1.0 . 5.50 115 110 A 59 ALA HB% A 45 LYS HGy 1.0 . 5.30 116 111 A 37 LEU HDx% A 48 CYS HBx 1.0 . 5.50 117 112 A 27 LEU HA A 28 CYS HA 1.0 . 4.78 118 113 A 37 LEU HDy% A 35 ALA HB% 1.0 . 5.50 119 114 A 48 CYS HA A 37 LEU HDy% 1.0 . 5.50 120 115 A 37 LEU HDy% A 37 LEU HA 1.0 . 5.50 121 116 A 37 LEU HDx% A 35 ALA HB% 1.0 . 5.50 122 117 A 37 LEU HDy% A 48 CYS HBx 1.0 . 5.50 123 118 A 60 PHE HD1 A 37 LEU HDx% 1.0 . 5.50 124 119 A 60 PHE HD1 A 48 CYS HBy 1.0 . 5.50 125 120 A 60 PHE HD1 A 48 CYS HBx 1.0 . 5.50 126 121 A 47 THR HA A 48 CYS HA 1.0 . 5.50 127 122 A 27 LEU HA A 65 LYS HE2 1.0 . 5.50 128 122 A 27 LEU HA A 65 LYS HE3 1.0 . 5.50 129 123 A 56 CYS H A 56 CYS HBx 1.0 . 3.67 130 124 A 56 CYS H A 56 CYS HBy 1.0 . 3.67 131 125 A 78 GLU HA A 79 ALA H 1.0 . 3.44 132 126 A 77 PHE HA A 78 GLU H 1.0 . 3.38 133 127 A 76 VAL H A 77 PHE H 1.0 . 4.71 134 128 A 77 PHE H A 77 PHE HBx 1.0 . 3.51 135 129 A 77 PHE H A 77 PHE HBy 1.0 . 3.51 136 130 A 76 VAL HB A 77 PHE H 1.0 . 4.34 137 131 A 75 ALA HA A 76 VAL H 1.0 . 2.88 138 132 A 76 VAL HB A 76 VAL H 1.0 . 3.11 139 133 A 75 ALA H A 74 SER HB2 1.0 . 4.82 140 134 A 75 ALA H A 74 SER HB3 1.0 . 4.82 141 135 A 75 ALA H A 75 ALA HB% 1.0 . 3.08 142 136 A 75 ALA H A 74 SER H 1.0 . 3.79 143 137 A 69 HIS HE1 A 74 SER H 1.0 . 5.50 144 138 A 74 SER H A 73 CYS HBx 1.0 . 4.11 145 139 A 74 SER H A 73 CYS HBy 1.0 . 4.11 146 140 A 74 SER H A 72 GLU HG2 1.0 . 5.50 147 141 A 74 SER H A 72 GLU HG3 1.0 . 5.50 148 142 A 75 ALA HB% A 74 SER H 1.0 . 4.56 149 143 A 69 HIS HE1 A 73 CYS H 1.0 . 4.60 150 144 A 73 CYS H A 69 HIS HD2 1.0 . 5.50 151 145 A 72 GLU HA A 73 CYS H 1.0 . 2.74 152 146 A 73 CYS H A 73 CYS HBx 1.0 . 3.67 153 147 A 73 CYS H A 73 CYS HBy 1.0 . 3.67 154 148 A 73 CYS H A 72 GLU HG2 1.0 . 4.92 155 149 A 73 CYS H A 72 GLU HG3 1.0 . 4.92 156 150 A 71 GLY H A 72 GLU H 1.0 . 4.46 157 151 A 72 GLU H A 71 GLY HAx 1.0 . 3.44 158 152 A 72 GLU H A 71 GLY HAy 1.0 . 3.44 159 153 A 72 GLU H A 72 GLU HG2 1.0 . 5.49 160 154 A 72 GLU H A 72 GLU HG3 1.0 . 5.49 161 155 A 71 GLY H A 70 GLU HBx 1.0 . 4.67 162 156 A 71 GLY H A 70 GLU HBy 1.0 . 4.67 163 157 A 58 PHE HE% A 68 TYR H 1.0 . 4.76 164 158 A 68 TYR HD1 A 68 TYR H 1.0 . 4.28 165 159 A 60 PHE HA A 68 TYR H 1.0 . 3.04 166 160 A 67 ALA HA A 68 TYR H 1.0 . 2.84 167 161 A 61 CYS HBx A 68 TYR H 1.0 . 5.50 168 162 A 61 CYS HBy A 68 TYR H 1.0 . 5.50 169 163 A 67 ALA HB% A 68 TYR H 1.0 . 3.35 170 164 A 59 ALA HB% A 68 TYR H 1.0 . 5.50 171 165 A 61 CYS H A 66 GLU H 1.0 . 3.93 172 166 A 68 TYR H A 61 CYS H 1.0 . 3.95 173 167 A 58 PHE HE% A 61 CYS H 1.0 . 5.50 174 168 A 58 PHE HE% A 67 ALA H 1.0 . 5.50 175 169 A 60 PHE HD2 A 61 CYS H 1.0 . 3.48 176 170 A 68 TYR HD1 A 61 CYS H 1.0 . 4.61 177 171 A 69 HIS HD2 A 70 GLU H 1.0 . 4.97 178 172 A 60 PHE HA A 61 CYS H 1.0 . 3.19 179 173 A 66 GLU HA A 67 ALA H 1.0 . 2.79 180 174 A 61 CYS HBx A 61 CYS H 1.0 . 3.13 181 175 A 60 PHE HBy A 61 CYS H 1.0 . 3.43 182 176 A 61 CYS HBy A 61 CYS H 1.0 . 3.28 183 177 A 66 GLU HB3 A 67 ALA H 1.0 . 2.62 184 178 A 67 ALA HB% A 67 ALA H 1.0 . 2.78 185 179 A 60 PHE HD2 A 66 GLU H 1.0 . 5.05 186 180 A 61 CYS HBx A 66 GLU H 1.0 . 4.28 187 181 A 66 GLU H A 66 GLU HG2 1.0 . 5.50 188 182 A 66 GLU H A 66 GLU HG3 1.0 . 5.50 189 183 A 66 GLU H A 66 GLU HB2 1.0 . 2.88 190 184 A 66 GLU H A 65 LYS H 1.0 . 3.70 191 185 A 60 PHE HD2 A 65 LYS H 1.0 . 4.90 192 186 A 61 CYS HBx A 65 LYS H 1.0 . 5.50 193 187 A 65 LYS H A 64 CYS HBy 1.0 . 5.50 194 188 A 60 PHE HBy A 65 LYS H 1.0 . 5.50 195 189 A 65 LYS H A 63 GLU HB2 1.0 . 5.50 196 190 A 65 LYS H A 63 GLU HB3 1.0 . 5.50 197 191 A 66 GLU HB2 A 65 LYS H 1.0 . 5.50 198 192 A 65 LYS HGy A 65 LYS H 1.0 . 3.70 199 193 A 65 LYS H A 64 CYS H 1.0 . 3.13 200 194 A 65 LYS HA A 64 CYS H 1.0 . 4.59 201 195 A 61 CYS HBx A 64 CYS H 1.0 . 4.62 202 196 A 64 CYS H A 64 CYS HBx 1.0 . 3.88 203 197 A 64 CYS H A 64 CYS HBy 1.0 . 3.88 204 198 A 64 CYS H A 23 MET HBx 1.0 . 5.50 205 199 A 64 CYS H A 23 MET HBy 1.0 . 5.50 206 200 A 65 LYS HGy A 64 CYS H 1.0 . 5.24 207 201 A 64 CYS H A 63 GLU H 1.0 . 3.23 208 202 A 65 LYS HA A 63 GLU H 1.0 . 5.16 209 203 A 63 GLU H A 61 CYS HA 1.0 . 4.69 210 204 A 63 GLU H A 62 ARG HDx 1.0 . 5.50 211 205 A 63 GLU H A 62 ARG HDy 1.0 . 5.50 212 206 A 63 GLU H A 23 MET HBx 1.0 . 5.50 213 207 A 63 GLU H A 23 MET HBy 1.0 . 5.50 214 208 A 63 GLU H A 62 ARG HBy 1.0 . 4.65 215 209 A 63 GLU H A 62 ARG HBx 1.0 . 4.65 216 210 A 63 GLU H A 62 ARG HG2 1.0 . 4.69 217 211 A 63 GLU H A 62 ARG HG3 1.0 . 4.69 218 212 A 63 GLU H A 62 ARG H 1.0 . 3.66 219 213 A 65 LYS HA A 62 ARG H 1.0 . 5.06 220 214 A 62 ARG H A 62 ARG HDx 1.0 . 5.50 221 215 A 62 ARG H A 62 ARG HDy 1.0 . 5.50 222 216 A 61 CYS HBy A 62 ARG H 1.0 . 4.38 223 217 A 68 TYR HD1 A 62 ARG H 1.0 . 5.50 224 218 A 62 ARG H A 43 GLN HBx 1.0 . 3.34 225 219 A 62 ARG H A 43 GLN HBy 1.0 . 3.34 226 220 A 61 CYS HA A 62 ARG H 1.0 . 3.15 227 221 A 46 VAL H A 60 PHE H 1.0 . 4.11 228 222 A 60 PHE H A 47 THR H 1.0 . 5.44 229 223 A 68 TYR H A 60 PHE H 1.0 . 5.50 230 224 A 60 PHE H A 58 PHE HD1 1.0 . 4.39 231 225 A 60 PHE HD1 A 60 PHE H 1.0 . 3.35 232 226 A 59 ALA HA A 60 PHE H 1.0 . 2.98 233 227 A 60 PHE HBx A 60 PHE H 1.0 . 3.99 234 228 A 47 THR HA A 60 PHE H 1.0 . 4.10 235 229 A 59 ALA HB% A 60 PHE H 1.0 . 3.50 236 230 A 46 VAL HB A 60 PHE H 1.0 . 4.69 237 231 A 58 PHE H A 59 ALA H 1.0 . 4.79 238 232 A 58 PHE HD1 A 59 ALA H 1.0 . 4.00 239 233 A 47 THR HA A 49 GLU H 1.0 . 5.48 240 234 A 47 THR HA A 59 ALA H 1.0 . 5.50 241 235 A 59 ALA H A 58 PHE HA 1.0 . 2.87 242 236 A 49 GLU H A 48 CYS HBx 1.0 . 4.33 243 237 A 59 ALA HB% A 59 ALA H 1.0 . 2.77 244 238 A 56 CYS H A 58 PHE H 1.0 . 5.03 245 239 A 58 PHE H A 58 PHE HBx 1.0 . 3.67 246 240 A 58 PHE H A 58 PHE HBy 1.0 . 3.67 247 241 A 57 GLY H A 56 CYS HBx 1.0 . 4.22 248 242 A 57 GLY H A 56 CYS HBy 1.0 . 4.22 249 243 A 56 CYS H A 55 GLY H 1.0 . 4.74 250 244 A 55 GLY H A 54 LEU HBy 1.0 . 3.76 251 245 A 53 GLY H A 54 LEU H 1.0 . 3.56 252 246 A 55 GLY H A 54 LEU H 1.0 . 4.47 253 247 A 54 LEU HBx A 54 LEU H 1.0 . 3.51 254 248 A 54 LEU HBy A 54 LEU H 1.0 . 3.10 255 249 A 50 GLY H A 49 GLU HBy 1.0 . 4.95 256 250 A 50 GLY H A 49 GLU HBx 1.0 . 4.95 257 251 A 49 GLU H A 50 GLY H 1.0 . 4.82 258 252 A 49 GLU H A 48 CYS HBy 1.0 . 4.33 259 253 A 49 GLU H A 49 GLU HBy 1.0 . 3.77 260 254 A 49 GLU H A 49 GLU HBx 1.0 . 3.77 261 255 A 47 THR HG2% A 49 GLU H 1.0 . 3.71 262 256 A 49 GLU H A 48 CYS H 1.0 . 4.67 263 257 A 60 PHE HD1 A 48 CYS H 1.0 . 3.97 264 258 A 59 ALA HA A 48 CYS H 1.0 . 3.74 265 259 A 47 THR HA A 48 CYS H 1.0 . 2.99 266 260 A 47 THR HB A 48 CYS H 1.0 . 4.38 267 261 A 48 CYS H A 48 CYS HBx 1.0 . 3.70 268 262 A 48 CYS H A 48 CYS HBy 1.0 . 3.70 269 263 A 47 THR HG2% A 48 CYS H 1.0 . 3.40 270 264 A 46 VAL H A 47 THR H 1.0 . 4.80 271 265 A 47 THR H A 48 CYS H 1.0 . 4.82 272 266 A 59 ALA HA A 47 THR H 1.0 . 5.09 273 267 A 46 VAL HA A 47 THR H 1.0 . 2.68 274 268 A 47 THR HB A 47 THR H 1.0 . 3.20 275 269 A 46 VAL HB A 47 THR H 1.0 . 4.58 276 270 A 60 PHE HD1 A 46 VAL H 1.0 . 5.50 277 271 A 68 TYR HD1 A 46 VAL H 1.0 . 4.36 278 272 A 46 VAL H A 68 TYR HE% 1.0 . 5.32 279 273 A 45 LYS HA A 46 VAL H 1.0 . 2.82 280 274 A 46 VAL H A 46 VAL HGx% 1.0 . 3.67 281 275 A 46 VAL H A 46 VAL HGy% 1.0 . 3.67 282 276 A 46 VAL HB A 46 VAL H 1.0 . 3.90 283 277 A 42 ASP H A 45 LYS H 1.0 . 5.50 284 278 A 68 TYR HE% A 45 LYS H 1.0 . 4.90 285 279 A 45 LYS H A 43 GLN HA 1.0 . 4.99 286 280 A 45 LYS H A 44 ARG HB2 1.0 . 5.50 287 281 A 45 LYS H A 44 ARG HB3 1.0 . 5.50 288 282 A 45 LYS H A 40 GLU HB2 1.0 . 5.50 289 283 A 45 LYS H A 45 LYS HBx 1.0 . 3.81 290 284 A 76 VAL H A 75 ALA HB% 1.0 . 4.03 291 285 A 45 LYS H A 45 LYS HBy 1.0 . 3.81 292 286 A 42 ASP HA A 43 GLN H 1.0 . 3.22 293 287 A 43 GLN H A 42 ASP HBy 1.0 . 5.15 294 288 A 43 GLN H A 42 ASP HBx 1.0 . 5.15 295 289 A 43 GLN H A 43 GLN HBx 1.0 . 3.73 296 290 A 43 GLN H A 43 GLN HBy 1.0 . 3.73 297 291 A 42 ASP H A 43 GLN H 1.0 . 4.32 298 292 A 42 ASP H A 43 GLN HA 1.0 . 5.50 299 293 A 42 ASP H A 41 PRO HG2 1.0 . 4.01 300 294 A 42 ASP H A 40 GLU HB3 1.0 . 5.50 301 295 A 39 PRO HA A 40 GLU H 1.0 . 2.67 302 296 A 40 GLU H A 40 GLU HG2 1.0 . 4.54 303 297 A 40 GLU H A 40 GLU HG3 1.0 . 4.54 304 298 A 40 GLU H A 39 PRO HBx 1.0 . 3.60 305 299 A 40 GLU H A 39 PRO HBy 1.0 . 3.60 306 300 A 40 GLU HB2 A 40 GLU H 1.0 . 2.91 307 301 A 40 GLU H A 46 VAL HGx% 1.0 . 5.50 308 302 A 40 GLU H A 46 VAL HGy% 1.0 . 5.50 309 303 A 28 CYS H A 36 GLY H 1.0 . 5.14 310 304 A 35 ALA HB% A 36 GLY H 1.0 . 3.27 311 305 A 33 CYS HA A 35 ALA H 1.0 . 5.07 312 306 A 34 GLY HAy A 35 ALA H 1.0 . 3.37 313 307 A 35 ALA H A 28 CYS HBx 1.0 . 3.55 314 308 A 35 ALA H A 28 CYS HBy 1.0 . 3.55 315 309 A 35 ALA H A 34 GLY H 1.0 . 5.20 316 310 A 36 GLY H A 35 ALA H 1.0 . 5.50 317 311 A 35 ALA HB% A 35 ALA H 1.0 . 2.88 318 312 A 32 GLY H A 33 CYS H 1.0 . 4.32 319 313 A 33 CYS H A 31 PRO HA 1.0 . 4.70 320 314 A 33 CYS H A 33 CYS HBx 1.0 . 3.33 321 315 A 33 CYS H A 33 CYS HBy 1.0 . 3.33 322 316 A 33 CYS H A 30 ARG HB2 1.0 . 4.40 323 317 A 33 CYS H A 30 ARG HB3 1.0 . 4.61 324 318 A 30 ARG HB2 A 30 ARG H 1.0 . 2.96 325 319 A 29 PRO HGx A 30 ARG H 1.0 . 3.84 326 320 A 30 ARG H A 30 ARG HGx 1.0 . 4.17 327 321 A 30 ARG H A 30 ARG HGy 1.0 . 4.17 328 322 A 28 CYS H A 35 ALA H 1.0 . 4.23 329 323 A 27 LEU HA A 28 CYS H 1.0 . 2.96 330 324 A 28 CYS H A 28 CYS HBx 1.0 . 3.23 331 325 A 28 CYS H A 28 CYS HBy 1.0 . 3.23 332 326 A 35 ALA HB% A 28 CYS H 1.0 . 3.75 333 327 A 28 CYS H A 26 VAL HGx% 1.0 . 5.50 334 328 A 28 CYS H A 26 VAL HGy% 1.0 . 5.50 335 329 A 26 VAL H A 27 LEU H 1.0 . 5.50 336 330 A 26 VAL H A 38 LEU H 1.0 . 5.50 337 331 A 26 VAL HA A 27 LEU H 1.0 . 2.85 338 332 A 27 LEU H A 26 VAL HB 1.0 . 3.68 339 333 A 27 LEU H A 27 LEU HG 1.0 . 4.22 340 334 A 38 LEU HA A 26 VAL H 1.0 . 4.37 341 335 A 26 VAL H A 39 PRO HDy 1.0 . 4.78 342 336 A 26 VAL H A 26 VAL HB 1.0 . 4.01 343 337 A 26 VAL H A 26 VAL HGx% 1.0 . 3.80 344 338 A 26 VAL H A 26 VAL HGy% 1.0 . 3.80 345 339 A 26 VAL H A 39 PRO HDx 1.0 . 4.78 346 340 A 23 MET HE% A 25 GLY H 1.0 . 5.50 347 341 A 17 GLU HA A 16 ALA H 1.0 . 5.50 348 342 A 18 GLU HA A 21 LEU H 1.0 . 5.50 349 343 A 21 LEU H A 20 VAL HB 1.0 . 4.47 350 344 A 21 LEU H A 21 LEU HBx 1.0 . 3.26 351 345 A 21 LEU H A 21 LEU HBy 1.0 . 3.26 352 346 A 21 LEU H A 20 VAL H 1.0 . 4.96 353 347 A 20 VAL HB A 20 VAL H 1.0 . 3.93 354 348 A 13 GLN H A 14 TYR H 1.0 . 5.50 355 349 A 20 VAL H A 19 CYS H 1.0 . 5.50 356 350 A 17 GLU HA A 18 GLU H 1.0 . 3.45 357 351 A 18 GLU H A 18 GLU HG2 1.0 . 5.50 358 352 A 18 GLU H A 18 GLU HG3 1.0 . 5.50 359 353 A 16 ALA HB% A 17 GLU H 1.0 . 4.94 360 354 A 14 TYR H A 15 GLY H 1.0 . 5.50 361 355 A 16 ALA H A 15 GLY H 1.0 . 5.50 362 356 A 13 GLN HA A 14 TYR H 1.0 . 3.09 363 357 A 14 TYR H A 13 GLN HB2 1.0 . 4.75 364 358 A 14 TYR H A 13 GLN HB3 1.0 . 4.75 365 359 A 11 TYR H A 10 ARG HB2 1.0 . 5.50 366 360 A 11 TYR H A 10 ARG HB3 1.0 . 5.50 367 361 A 7 GLN H A 6 GLU HB2 1.0 . 5.13 368 362 A 7 GLN H A 6 GLU HB3 1.0 . 5.13 369 363 A 17 GLU H A 17 GLU HG2 1.0 . 5.41 370 364 A 17 GLU H A 17 GLU HG3 1.0 . 5.41 371 365 A 28 CYS H A 37 LEU HG 1.0 . 5.50 372 366 A 54 LEU HBx A 55 GLY H 1.0 . 4.06 373 367 A 58 PHE HD1 A 58 PHE H 1.0 . 5.50 374 368 A 58 PHE H A 58 PHE HD2 1.0 . 5.50 375 369 A 49 GLU HA A 57 GLY H 1.0 . 5.50 376 370 A 58 PHE HA A 57 GLY H 1.0 . 5.50 377 371 A 58 PHE H A 57 GLY H 1.0 . 4.00 378 372 A 57 GLY H A 48 CYS H 1.0 . 5.50 379 373 A 74 SER H A 72 GLU HBy 1.0 . 5.50 380 374 A 65 LYS HGy A 66 GLU H 1.0 . 5.30 381 375 A 65 LYS HGx A 66 GLU H 1.0 . 5.50 382 376 A 47 THR HG2% A 58 PHE H 1.0 . 5.05 383 377 A 47 THR HG2% A 57 GLY H 1.0 . 5.22 384 378 A 59 ALA HB% A 58 PHE H 1.0 . 5.50 385 379 A 25 GLY H A 38 LEU HG 1.0 . 5.50 386 380 A 45 LYS H A 43 GLN H 1.0 . 5.50 387 381 A 37 LEU HDx% A 35 ALA H 1.0 . 5.50 388 382 A 37 LEU HDy% A 35 ALA H 1.0 . 5.50 389 383 A 59 ALA HB% A 46 VAL H 1.0 . 5.50 390 384 A 49 GLU H A 55 GLY HA2 1.0 . 5.50 391 385 A 49 GLU H A 55 GLY HA3 1.0 . 5.50 392 386 A 54 LEU HBx A 56 CYS H 1.0 . 5.50 393 387 A 58 PHE H A 49 GLU H 1.0 . 5.50 394 388 A 60 PHE H A 59 ALA H 1.0 . 5.50 395 389 A 47 THR HG2% A 60 PHE H 1.0 . 5.50 396 390 A 71 GLY H A 68 TYR HE% 1.0 . 5.50 397 391 A 74 SER H A 72 GLU HBx 1.0 . 5.50 398 392 A 69 HIS HD2 A 72 GLU H 1.0 . 5.50 399 393 A 69 HIS HE1 A 72 GLU H 1.0 . 5.50 400 394 A 16 ALA H A 17 GLU H 1.0 . 5.50 401 395 A 65 LYS H A 63 GLU H 1.0 . 5.50 402 396 A 65 LYS H A 64 CYS HBx 1.0 . 5.50 403 397 A 45 LYS H A 44 ARG H 1.0 . 5.50 404 398 A 44 ARG H A 44 ARG HG2 1.0 . 5.50 405 399 A 44 ARG H A 44 ARG HG3 1.0 . 5.50 406 400 A 43 GLN H A 44 ARG H 1.0 . 5.50 407 401 A 56 CYS H A 48 CYS H 1.0 . 5.50 408 402 A 11 TYR HD1 A 12 GLN H 1.0 . 5.50 409 403 A 11 TYR HD2 A 12 GLN H 1.0 . 5.50 410 404 A 56 CYS H A 57 GLY H 1.0 . 3.39 411 405 A 45 LYS HA A 68 TYR HE% 1.0 . 5.50 412 406 A 61 CYS HBy A 68 TYR HE% 1.0 . 5.50 413 407 A 68 TYR HE% A 46 VAL HGx% 1.0 . 5.50 414 408 A 68 TYR HE% A 46 VAL HGy% 1.0 . 5.50 415 409 A 60 PHE HBx A 68 TYR HD1 1.0 . 5.50 416 410 A 68 TYR HD1 A 46 VAL HGx% 1.0 . 5.50 417 411 A 60 PHE HD2 A 26 VAL HGx% 1.0 . 5.50 418 412 A 60 PHE HD2 A 26 VAL HGy% 1.0 . 5.50 419 413 A 60 PHE HD1 A 46 VAL HGx% 1.0 . 5.50 420 414 A 65 LYS HA A 60 PHE HE% 1.0 . 4.23 421 415 A 62 ARG HA A 60 PHE HE% 1.0 . 3.93 422 416 A 37 LEU HDy% A 60 PHE HE% 1.0 . 5.50 423 417 A 59 ALA HB% A 60 PHE HE% 1.0 . 5.50 424 418 A 60 PHE HE% A 26 VAL HGx% 1.0 . 5.50 425 419 A 60 PHE HE% A 26 VAL HGy% 1.0 . 5.50 426 420 A 67 ALA HA A 58 PHE HE% 1.0 . 3.06 427 421 A 60 PHE HBy A 58 PHE HE% 1.0 . 5.44 428 422 A 60 PHE HBx A 58 PHE HE% 1.0 . 3.85 429 423 A 60 PHE HBx A 58 PHE HD1 1.0 . 4.13 430 424 A 67 ALA HB% A 58 PHE HE% 1.0 . 3.08 431 425 A 60 PHE HD1 A 58 PHE HD1 1.0 . 4.21 432 426 A 58 PHE HD1 A 58 PHE HA 1.0 . 5.50 433 427 A 58 PHE HA A 58 PHE HD2 1.0 . 5.50 434 428 A 60 PHE HA A 60 PHE HD1 1.0 . 4.14 435 429 A 67 ALA HA A 60 PHE HA 1.0 . 3.23 436 430 A 60 PHE HA A 60 PHE HBy 1.0 . 2.98 437 431 A 60 PHE HBx A 60 PHE HA 1.0 . 2.87 438 432 A 47 THR HA A 59 ALA HA 1.0 . 2.98 439 433 A 67 ALA HA A 58 PHE HD1 1.0 . 3.76 440 434 A 68 TYR HD1 A 59 ALA HB% 1.0 . 4.39 441 435 A 60 PHE HA A 58 PHE HE% 1.0 . 4.56 442 436 A 60 PHE HA A 58 PHE HD1 1.0 . 5.00 443 437 A 11 TYR HA A 11 TYR HE% 1.0 . 5.09 444 438 A 14 TYR HA A 14 TYR HE% 1.0 . 5.50 445 439 A 48 CYS HA A 60 PHE HE% 1.0 . 4.49 446 440 A 8 TYR HA A 8 TYR HD1 1.0 . 4.53 447 441 A 8 TYR HA A 8 TYR HD2 1.0 . 4.92 448 442 A 8 TYR HD2 A 8 TYR HE% 1.0 . 2.95 449 443 A 14 TYR HE% A 14 TYR HD2 1.0 . 2.95 450 444 A 59 ALA HB% A 45 LYS HE2 1.0 . 3.13 451 444 A 59 ALA HB% A 45 LYS HE3 1.0 . 3.13 452 445 A 37 LEU HDx% A 60 PHE HE% 1.0 . 5.50 453 446 A 60 PHE HD1 A 46 VAL HB 1.0 . 5.50 454 447 A 60 PHE HD2 A 46 VAL HB 1.0 . 5.50 455 448 A 77 PHE HA A 77 PHE HD1 1.0 . 5.50 456 449 A 77 PHE HA A 77 PHE HD2 1.0 . 5.50 457 450 A 60 PHE HD1 A 59 ALA HA 1.0 . 5.50 458 451 A 69 HIS HE1 A 72 GLU HA 1.0 . 5.50 459 452 A 6 GLU H A 6 GLU HB2 1.0 . 3.69 460 452 A 6 GLU H A 6 GLU HB3 1.0 . 3.69 461 453 A 7 GLN H A 6 GLU HB2 1.0 . 4.46 462 453 A 7 GLN H A 6 GLU HB3 1.0 . 4.46 463 454 A 8 TYR HD1 A 8 TYR HBy 1.0 . 2.89 464 454 A 8 TYR HD1 A 8 TYR HBx 1.0 . 2.89 465 455 A 8 TYR HD2 A 8 TYR HBy 1.0 . 2.67 466 455 A 8 TYR HD2 A 8 TYR HBx 1.0 . 2.67 467 456 A 10 ARG HA A 10 ARG HG3 1.0 . 3.63 468 456 A 10 ARG HA A 10 ARG HG2 1.0 . 3.63 469 457 A 10 ARG HA A 10 ARG HD2 1.0 . 4.72 470 457 A 10 ARG HA A 10 ARG HD3 1.0 . 4.72 471 458 A 10 ARG HB3 A 10 ARG HD2 1.0 . 3.31 472 458 A 10 ARG HB2 A 10 ARG HD2 1.0 . 3.31 473 458 A 10 ARG HD3 A 10 ARG HB3 1.0 . 3.31 474 458 A 10 ARG HD3 A 10 ARG HB2 1.0 . 3.31 475 459 A 11 TYR HA A 12 GLN HB2 1.0 . 5.34 476 459 A 11 TYR HA A 12 GLN HB3 1.0 . 5.34 477 460 A 11 TYR HD1 A 11 TYR HBy 1.0 . 2.81 478 460 A 11 TYR HD1 A 11 TYR HBx 1.0 . 2.81 479 461 A 12 GLN H A 11 TYR HBy 1.0 . 4.45 480 461 A 12 GLN H A 11 TYR HBx 1.0 . 4.45 481 462 A 13 GLN HA A 13 GLN HG2 1.0 . 3.45 482 462 A 13 GLN HA A 13 GLN HG3 1.0 . 3.45 483 463 A 13 GLN HB3 A 13 GLN HG2 1.0 . 2.35 484 463 A 13 GLN HB2 A 13 GLN HG2 1.0 . 2.35 485 463 A 13 GLN HG3 A 13 GLN HB3 1.0 . 2.35 486 463 A 13 GLN HG3 A 13 GLN HB2 1.0 . 2.35 487 464 A 14 TYR H A 13 GLN HB3 1.0 . 4.06 488 464 A 14 TYR H A 13 GLN HB2 1.0 . 4.06 489 465 A 14 TYR HA A 13 GLN HB3 1.0 . 5.34 490 465 A 14 TYR HA A 13 GLN HB2 1.0 . 5.34 491 466 A 14 TYR H A 14 TYR HBy 1.0 . 3.40 492 466 A 14 TYR H A 14 TYR HBx 1.0 . 3.40 493 467 A 14 TYR HD1 A 14 TYR HBy 1.0 . 3.12 494 467 A 14 TYR HD1 A 14 TYR HBx 1.0 . 3.12 495 468 A 14 TYR HD2 A 14 TYR HBy 1.0 . 2.99 496 468 A 14 TYR HD2 A 14 TYR HBx 1.0 . 2.99 497 469 A 17 GLU H A 17 GLU HB2 1.0 . 3.62 498 469 A 17 GLU H A 17 GLU HB3 1.0 . 3.62 499 470 A 17 GLU H A 17 GLU HG2 1.0 . 4.65 500 470 A 17 GLU H A 17 GLU HG3 1.0 . 4.65 501 471 A 17 GLU HA A 17 GLU HG2 1.0 . 3.54 502 471 A 17 GLU HA A 17 GLU HG3 1.0 . 3.54 503 472 A 18 GLU H A 17 GLU HG2 1.0 . 4.88 504 472 A 18 GLU H A 17 GLU HG3 1.0 . 4.88 505 473 A 18 GLU H A 18 GLU HB2 1.0 . 3.28 506 473 A 18 GLU H A 18 GLU HB3 1.0 . 3.28 507 474 A 18 GLU HA A 19 CYS HB2 1.0 . 5.34 508 474 A 18 GLU HA A 19 CYS HB3 1.0 . 5.34 509 475 A 18 GLU HB3 A 19 CYS HB2 1.0 . 5.18 510 475 A 18 GLU HB2 A 19 CYS HB2 1.0 . 5.18 511 475 A 19 CYS HB3 A 18 GLU HB2 1.0 . 5.18 512 475 A 18 GLU HB3 A 19 CYS HB3 1.0 . 5.18 513 476 A 19 CYS H A 19 CYS HB2 1.0 . 3.66 514 476 A 19 CYS H A 19 CYS HB3 1.0 . 3.66 515 477 A 20 VAL HA A 19 CYS HB2 1.0 . 5.34 516 477 A 20 VAL HA A 19 CYS HB3 1.0 . 5.34 517 478 A 19 CYS HB3 A 20 VAL HGy% 1.0 . 4.75 518 478 A 19 CYS HB2 A 20 VAL HGy% 1.0 . 4.75 519 478 A 20 VAL HGx% A 19 CYS HB2 1.0 . 4.75 520 478 A 19 CYS HB3 A 20 VAL HGx% 1.0 . 4.75 521 479 A 20 VAL H A 20 VAL HGy% 1.0 . 4.00 522 479 A 20 VAL H A 20 VAL HGx% 1.0 . 4.00 523 480 A 21 LEU H A 21 LEU HBx 1.0 . 2.74 524 480 A 21 LEU H A 21 LEU HBy 1.0 . 2.74 525 481 A 21 LEU HBx A 21 LEU HDx% 1.0 . 2.82 526 481 A 21 LEU HBy A 21 LEU HDx% 1.0 . 2.82 527 481 A 21 LEU HDy% A 21 LEU HBx 1.0 . 2.82 528 481 A 21 LEU HBy A 21 LEU HDy% 1.0 . 2.82 529 482 A 63 GLU H A 23 MET HBx 1.0 . 4.74 530 482 A 63 GLU H A 23 MET HBy 1.0 . 4.74 531 483 A 63 GLU HA A 23 MET HBx 1.0 . 3.00 532 483 A 63 GLU HA A 23 MET HBy 1.0 . 3.00 533 484 A 23 MET HE% A 24 GLY HAy 1.0 . 4.70 534 484 A 23 MET HE% A 24 GLY HAx 1.0 . 4.70 535 485 A 23 MET HE% A 25 GLY HAy 1.0 . 5.34 536 485 A 23 MET HE% A 25 GLY HAx 1.0 . 5.34 537 486 A 23 MET HE% A 38 LEU HDx% 1.0 . 4.58 538 486 A 23 MET HE% A 38 LEU HDy% 1.0 . 4.58 539 487 A 25 GLY H A 24 GLY HAy 1.0 . 3.01 540 487 A 25 GLY H A 24 GLY HAx 1.0 . 3.01 541 488 A 24 GLY HAx A 38 LEU HDx% 1.0 . 4.00 542 488 A 24 GLY HAy A 38 LEU HDx% 1.0 . 4.00 543 488 A 38 LEU HDy% A 24 GLY HAy 1.0 . 4.00 544 488 A 24 GLY HAx A 38 LEU HDy% 1.0 . 4.00 545 489 A 25 GLY H A 38 LEU HDx% 1.0 . 4.44 546 489 A 25 GLY H A 38 LEU HDy% 1.0 . 4.44 547 490 A 26 VAL H A 25 GLY HAy 1.0 . 2.99 548 490 A 26 VAL H A 25 GLY HAx 1.0 . 2.99 549 491 A 26 VAL HA A 25 GLY HAy 1.0 . 5.05 550 491 A 26 VAL HA A 25 GLY HAx 1.0 . 5.05 551 492 A 38 LEU HA A 25 GLY HAy 1.0 . 4.19 552 492 A 38 LEU HA A 25 GLY HAx 1.0 . 4.19 553 493 A 25 GLY HAy A 38 LEU HDx% 1.0 . 3.49 554 493 A 25 GLY HAx A 38 LEU HDx% 1.0 . 3.49 555 493 A 38 LEU HDy% A 25 GLY HAy 1.0 . 3.49 556 493 A 25 GLY HAx A 38 LEU HDy% 1.0 . 3.49 557 494 A 25 GLY HAy A 39 PRO HDx 1.0 . 4.76 558 494 A 25 GLY HAx A 39 PRO HDx 1.0 . 4.76 559 494 A 39 PRO HDy A 25 GLY HAy 1.0 . 4.76 560 494 A 25 GLY HAx A 39 PRO HDy 1.0 . 4.76 561 495 A 26 VAL H A 26 VAL HGy% 1.0 . 3.31 562 495 A 26 VAL H A 26 VAL HGx% 1.0 . 3.31 563 496 A 26 VAL H A 38 LEU HDx% 1.0 . 4.28 564 496 A 26 VAL H A 38 LEU HDy% 1.0 . 4.28 565 497 A 26 VAL H A 39 PRO HDx 1.0 . 4.10 566 497 A 26 VAL H A 39 PRO HDy 1.0 . 4.10 567 498 A 26 VAL HA A 27 LEU HDx% 1.0 . 4.57 568 498 A 26 VAL HA A 27 LEU HDy% 1.0 . 4.57 569 499 A 26 VAL HB A 39 PRO HDx 1.0 . 5.35 570 499 A 26 VAL HB A 39 PRO HDy 1.0 . 5.35 571 500 A 27 LEU H A 26 VAL HGy% 1.0 . 3.96 572 500 A 27 LEU H A 26 VAL HGx% 1.0 . 3.96 573 501 A 26 VAL HGy% A 28 CYS HBx 1.0 . 5.28 574 501 A 26 VAL HGx% A 28 CYS HBx 1.0 . 5.28 575 501 A 28 CYS HBy A 26 VAL HGy% 1.0 . 5.28 576 501 A 26 VAL HGx% A 28 CYS HBy 1.0 . 5.28 577 502 A 26 VAL HGx% A 39 PRO HGx 1.0 . 3.76 578 502 A 26 VAL HGy% A 39 PRO HGx 1.0 . 3.76 579 502 A 39 PRO HGy A 26 VAL HGy% 1.0 . 3.76 580 502 A 26 VAL HGx% A 39 PRO HGy 1.0 . 3.76 581 503 A 26 VAL HGx% A 39 PRO HDx 1.0 . 3.88 582 503 A 26 VAL HGy% A 39 PRO HDx 1.0 . 3.88 583 503 A 39 PRO HDy A 26 VAL HGy% 1.0 . 3.88 584 503 A 39 PRO HDy A 26 VAL HGx% 1.0 . 3.88 585 504 A 26 VAL HGx% A 46 VAL HGy% 1.0 . 4.56 586 504 A 26 VAL HGy% A 46 VAL HGy% 1.0 . 4.56 587 504 A 46 VAL HGx% A 26 VAL HGy% 1.0 . 4.56 588 504 A 26 VAL HGx% A 46 VAL HGx% 1.0 . 4.56 589 505 A 60 PHE HE% A 26 VAL HGy% 1.0 . 4.83 590 505 A 60 PHE HE% A 26 VAL HGx% 1.0 . 4.83 591 506 A 26 VAL HGy% A 62 ARG HDx 1.0 . 5.28 592 506 A 26 VAL HGx% A 62 ARG HDx 1.0 . 5.28 593 506 A 62 ARG HDy A 26 VAL HGy% 1.0 . 5.28 594 506 A 26 VAL HGx% A 62 ARG HDy 1.0 . 5.28 595 507 A 26 VAL HGx% A 65 LYS HBx 1.0 . 5.28 596 507 A 65 LYS HBy A 26 VAL HGy% 1.0 . 5.28 597 507 A 26 VAL HGx% A 65 LYS HBy 1.0 . 5.28 598 507 A 26 VAL HGy% A 65 LYS HBx 1.0 . 5.28 599 508 A 26 VAL HGy% A 65 LYS HE2 1.0 . 4.63 600 508 A 65 LYS HE3 A 26 VAL HGy% 1.0 . 4.63 601 508 A 65 LYS HE3 A 26 VAL HGx% 1.0 . 4.63 602 508 A 26 VAL HGx% A 65 LYS HE2 1.0 . 4.63 603 509 A 27 LEU H A 27 LEU HDx% 1.0 . 3.98 604 509 A 27 LEU H A 27 LEU HDy% 1.0 . 3.98 605 510 A 27 LEU HA A 27 LEU HDx% 1.0 . 3.24 606 510 A 27 LEU HA A 27 LEU HDy% 1.0 . 3.24 607 511 A 27 LEU HA A 36 GLY HAy 1.0 . 3.75 608 511 A 27 LEU HA A 36 GLY HAx 1.0 . 3.75 609 512 A 27 LEU HBy A 27 LEU HDx% 1.0 . 2.74 610 512 A 27 LEU HBx A 27 LEU HDx% 1.0 . 2.74 611 512 A 27 LEU HDy% A 27 LEU HBy 1.0 . 2.74 612 512 A 27 LEU HDy% A 27 LEU HBx 1.0 . 2.74 613 513 A 28 CYS H A 27 LEU HBy 1.0 . 3.82 614 513 A 28 CYS H A 27 LEU HBx 1.0 . 3.82 615 514 A 28 CYS H A 27 LEU HDx% 1.0 . 3.58 616 514 A 28 CYS H A 27 LEU HDy% 1.0 . 3.58 617 515 A 28 CYS HA A 27 LEU HDx% 1.0 . 4.49 618 515 A 28 CYS HA A 27 LEU HDy% 1.0 . 4.49 619 516 A 29 PRO HA A 27 LEU HDx% 1.0 . 4.59 620 516 A 27 LEU HDy% A 29 PRO HA 1.0 . 4.59 621 517 A 27 LEU HDx% A 29 PRO HDy 1.0 . 5.28 622 517 A 27 LEU HDy% A 29 PRO HDy 1.0 . 5.28 623 517 A 29 PRO HDx A 27 LEU HDx% 1.0 . 5.28 624 517 A 27 LEU HDy% A 29 PRO HDx 1.0 . 5.28 625 518 A 36 GLY H A 27 LEU HDx% 1.0 . 5.24 626 518 A 36 GLY H A 27 LEU HDy% 1.0 . 5.24 627 519 A 27 LEU HDy% A 36 GLY HAy 1.0 . 5.04 628 519 A 27 LEU HDx% A 36 GLY HAy 1.0 . 5.04 629 519 A 36 GLY HAx A 27 LEU HDx% 1.0 . 5.04 630 519 A 27 LEU HDy% A 36 GLY HAx 1.0 . 5.04 631 520 A 28 CYS H A 36 GLY HAy 1.0 . 4.02 632 520 A 28 CYS H A 36 GLY HAx 1.0 . 4.02 633 521 A 29 PRO HGx A 28 CYS HBx 1.0 . 5.34 634 521 A 29 PRO HGx A 28 CYS HBy 1.0 . 5.34 635 522 A 30 ARG H A 28 CYS HBx 1.0 . 3.45 636 522 A 30 ARG H A 28 CYS HBy 1.0 . 3.45 637 523 A 34 GLY HAy A 28 CYS HBx 1.0 . 4.57 638 523 A 34 GLY HAy A 28 CYS HBy 1.0 . 4.57 639 524 A 35 ALA H A 28 CYS HBx 1.0 . 2.98 640 524 A 35 ALA H A 28 CYS HBy 1.0 . 2.98 641 525 A 36 GLY H A 28 CYS HBx 1.0 . 5.34 642 525 A 36 GLY H A 28 CYS HBy 1.0 . 5.34 643 526 A 28 CYS HBx A 36 GLY HAy 1.0 . 5.18 644 526 A 36 GLY HAx A 28 CYS HBx 1.0 . 5.18 645 526 A 28 CYS HBy A 36 GLY HAx 1.0 . 5.18 646 526 A 28 CYS HBy A 36 GLY HAy 1.0 . 5.18 647 527 A 37 LEU HDx% A 28 CYS HBx 1.0 . 5.34 648 527 A 37 LEU HDx% A 28 CYS HBy 1.0 . 5.34 649 528 A 30 ARG H A 29 PRO HBy 1.0 . 4.01 650 528 A 30 ARG H A 29 PRO HBx 1.0 . 4.01 651 529 A 29 PRO HGx A 30 ARG HDy 1.0 . 3.81 652 529 A 29 PRO HGx A 30 ARG HDx 1.0 . 3.81 653 530 A 30 ARG H A 30 ARG HGx 1.0 . 3.36 654 530 A 30 ARG H A 30 ARG HGy 1.0 . 3.36 655 531 A 30 ARG H A 30 ARG HDy 1.0 . 3.68 656 531 A 30 ARG H A 30 ARG HDx 1.0 . 3.68 657 532 A 30 ARG H A 31 PRO HDy 1.0 . 4.94 658 532 A 30 ARG H A 31 PRO HDx 1.0 . 4.94 659 533 A 30 ARG HA A 30 ARG HDy 1.0 . 5.34 660 533 A 30 ARG HA A 30 ARG HDx 1.0 . 5.34 661 534 A 30 ARG HA A 33 CYS HBx 1.0 . 5.34 662 534 A 30 ARG HA A 33 CYS HBy 1.0 . 5.34 663 535 A 30 ARG HB2 A 33 CYS HBx 1.0 . 4.03 664 535 A 30 ARG HB2 A 33 CYS HBy 1.0 . 4.03 665 536 A 30 ARG HB3 A 31 PRO HDy 1.0 . 4.50 666 536 A 30 ARG HB3 A 31 PRO HDx 1.0 . 4.50 667 537 A 30 ARG HB3 A 33 CYS HBx 1.0 . 4.51 668 537 A 30 ARG HB3 A 33 CYS HBy 1.0 . 4.51 669 538 A 33 CYS H A 33 CYS HBx 1.0 . 2.88 670 538 A 33 CYS H A 33 CYS HBy 1.0 . 2.88 671 539 A 34 GLY HAy A 33 CYS HBx 1.0 . 5.34 672 539 A 34 GLY HAy A 33 CYS HBy 1.0 . 5.34 673 540 A 35 ALA H A 33 CYS HBx 1.0 . 4.30 674 540 A 35 ALA H A 33 CYS HBy 1.0 . 4.30 675 541 A 35 ALA HB% A 46 VAL HGy% 1.0 . 5.44 676 541 A 35 ALA HB% A 46 VAL HGx% 1.0 . 5.44 677 542 A 37 LEU HG A 48 CYS HBx 1.0 . 5.34 678 542 A 37 LEU HG A 48 CYS HBy 1.0 . 5.34 679 543 A 37 LEU HDx% A 46 VAL HGy% 1.0 . 5.44 680 543 A 37 LEU HDx% A 46 VAL HGx% 1.0 . 5.44 681 544 A 38 LEU H A 38 LEU HBx 1.0 . 3.13 682 544 A 38 LEU H A 38 LEU HBy 1.0 . 3.13 683 545 A 38 LEU H A 38 LEU HDx% 1.0 . 4.51 684 545 A 38 LEU H A 38 LEU HDy% 1.0 . 4.51 685 546 A 38 LEU HA A 38 LEU HDx% 1.0 . 3.38 686 546 A 38 LEU HA A 38 LEU HDy% 1.0 . 3.38 687 547 A 38 LEU HA A 39 PRO HDx 1.0 . 3.06 688 547 A 38 LEU HA A 39 PRO HDy 1.0 . 3.06 689 548 A 38 LEU HBy A 38 LEU HDx% 1.0 . 2.84 690 548 A 38 LEU HBx A 38 LEU HDx% 1.0 . 2.84 691 548 A 38 LEU HDy% A 38 LEU HBx 1.0 . 2.84 692 548 A 38 LEU HDy% A 38 LEU HBy 1.0 . 2.84 693 549 A 38 LEU HBx A 39 PRO HDx 1.0 . 5.18 694 549 A 39 PRO HDy A 38 LEU HBx 1.0 . 5.18 695 549 A 39 PRO HDy A 38 LEU HBy 1.0 . 5.18 696 549 A 38 LEU HBy A 39 PRO HDx 1.0 . 5.18 697 550 A 38 LEU HDy% A 39 PRO HGx 1.0 . 4.54 698 550 A 38 LEU HDx% A 39 PRO HGx 1.0 . 4.54 699 550 A 39 PRO HGy A 38 LEU HDx% 1.0 . 4.54 700 550 A 38 LEU HDy% A 39 PRO HGy 1.0 . 4.54 701 551 A 38 LEU HDy% A 39 PRO HDx 1.0 . 4.56 702 551 A 38 LEU HDx% A 39 PRO HDx 1.0 . 4.56 703 551 A 39 PRO HDy A 38 LEU HDx% 1.0 . 4.56 704 551 A 38 LEU HDy% A 39 PRO HDy 1.0 . 4.56 705 552 A 39 PRO HA A 46 VAL HGy% 1.0 . 4.41 706 552 A 39 PRO HA A 46 VAL HGx% 1.0 . 4.41 707 553 A 40 GLU H A 39 PRO HBx 1.0 . 2.88 708 553 A 40 GLU H A 39 PRO HBy 1.0 . 2.88 709 554 A 39 PRO HBx A 46 VAL HGy% 1.0 . 3.63 710 554 A 39 PRO HBy A 46 VAL HGy% 1.0 . 3.63 711 554 A 46 VAL HGx% A 39 PRO HBx 1.0 . 3.63 712 554 A 46 VAL HGx% A 39 PRO HBy 1.0 . 3.63 713 555 A 39 PRO HGx A 46 VAL HGy% 1.0 . 3.78 714 555 A 39 PRO HGy A 46 VAL HGy% 1.0 . 3.78 715 555 A 46 VAL HGx% A 39 PRO HGx 1.0 . 3.78 716 555 A 39 PRO HGy A 46 VAL HGx% 1.0 . 3.78 717 556 A 62 ARG HA A 39 PRO HGx 1.0 . 4.70 718 556 A 62 ARG HA A 39 PRO HGy 1.0 . 4.70 719 557 A 39 PRO HGy A 62 ARG HG3 1.0 . 5.18 720 557 A 62 ARG HG2 A 39 PRO HGx 1.0 . 5.18 721 557 A 39 PRO HGy A 62 ARG HG2 1.0 . 5.18 722 557 A 39 PRO HGx A 62 ARG HG3 1.0 . 5.18 723 558 A 39 PRO HGy A 62 ARG HDx 1.0 . 3.41 724 558 A 39 PRO HGx A 62 ARG HDx 1.0 . 3.41 725 558 A 62 ARG HDy A 39 PRO HGx 1.0 . 3.41 726 558 A 39 PRO HGy A 62 ARG HDy 1.0 . 3.41 727 559 A 39 PRO HDx A 46 VAL HGy% 1.0 . 4.60 728 559 A 39 PRO HDy A 46 VAL HGy% 1.0 . 4.60 729 559 A 46 VAL HGx% A 39 PRO HDx 1.0 . 4.60 730 559 A 39 PRO HDy A 46 VAL HGx% 1.0 . 4.60 731 560 A 40 GLU H A 40 GLU HG2 1.0 . 3.95 732 560 A 40 GLU H A 40 GLU HG3 1.0 . 3.95 733 561 A 40 GLU H A 41 PRO HDx 1.0 . 4.84 734 561 A 40 GLU H A 41 PRO HDy 1.0 . 4.84 735 562 A 40 GLU HB2 A 46 VAL HGy% 1.0 . 4.97 736 562 A 40 GLU HB2 A 46 VAL HGx% 1.0 . 4.97 737 563 A 40 GLU HB3 A 41 PRO HDx 1.0 . 3.23 738 563 A 40 GLU HB3 A 41 PRO HDy 1.0 . 3.23 739 564 A 40 GLU HG3 A 41 PRO HDx 1.0 . 4.80 740 564 A 41 PRO HDy A 40 GLU HG2 1.0 . 4.80 741 564 A 40 GLU HG3 A 41 PRO HDy 1.0 . 4.80 742 564 A 40 GLU HG2 A 41 PRO HDx 1.0 . 4.80 743 565 A 42 ASP H A 41 PRO HBy 1.0 . 3.95 744 565 A 42 ASP H A 41 PRO HBx 1.0 . 3.95 745 566 A 42 ASP H A 41 PRO HDx 1.0 . 3.74 746 566 A 42 ASP H A 41 PRO HDy 1.0 . 3.74 747 567 A 42 ASP H A 62 ARG HG3 1.0 . 5.34 748 567 A 42 ASP H A 62 ARG HG2 1.0 . 5.34 749 568 A 42 ASP H A 62 ARG HDx 1.0 . 5.34 750 568 A 42 ASP H A 62 ARG HDy 1.0 . 5.34 751 569 A 43 GLN H A 42 ASP HBx 1.0 . 4.38 752 569 A 43 GLN H A 42 ASP HBy 1.0 . 4.38 753 570 A 43 GLN H A 43 GLN HBx 1.0 . 3.18 754 570 A 43 GLN H A 43 GLN HBy 1.0 . 3.18 755 571 A 43 GLN H A 43 GLN HG2 1.0 . 3.47 756 571 A 43 GLN H A 43 GLN HG3 1.0 . 3.47 757 572 A 43 GLN H A 44 ARG HDx 1.0 . 5.34 758 572 A 43 GLN H A 44 ARG HDy 1.0 . 5.34 759 573 A 43 GLN H A 46 VAL HGy% 1.0 . 4.45 760 573 A 43 GLN H A 46 VAL HGx% 1.0 . 4.45 761 574 A 43 GLN HA A 43 GLN HG2 1.0 . 3.46 762 574 A 43 GLN HA A 43 GLN HG3 1.0 . 3.46 763 575 A 43 GLN HA A 62 ARG HG3 1.0 . 3.38 764 575 A 43 GLN HA A 62 ARG HG2 1.0 . 3.38 765 576 A 45 LYS H A 43 GLN HBx 1.0 . 5.34 766 576 A 45 LYS H A 43 GLN HBy 1.0 . 5.34 767 577 A 43 GLN HBy A 46 VAL HGy% 1.0 . 4.36 768 577 A 43 GLN HBx A 46 VAL HGy% 1.0 . 4.36 769 577 A 46 VAL HGx% A 43 GLN HBx 1.0 . 4.36 770 577 A 46 VAL HGx% A 43 GLN HBy 1.0 . 4.36 771 578 A 43 GLN HBy A 62 ARG HG3 1.0 . 4.15 772 578 A 43 GLN HBx A 62 ARG HG3 1.0 . 4.15 773 578 A 62 ARG HG2 A 43 GLN HBx 1.0 . 4.15 774 578 A 62 ARG HG2 A 43 GLN HBy 1.0 . 4.15 775 579 A 43 GLN HBy A 62 ARG HDx 1.0 . 4.38 776 579 A 62 ARG HDy A 43 GLN HBx 1.0 . 4.38 777 579 A 62 ARG HDy A 43 GLN HBy 1.0 . 4.38 778 579 A 43 GLN HBx A 62 ARG HDx 1.0 . 4.38 779 580 A 44 ARG H A 43 GLN HG2 1.0 . 5.34 780 580 A 44 ARG H A 43 GLN HG3 1.0 . 5.34 781 581 A 45 LYS H A 43 GLN HG2 1.0 . 5.34 782 581 A 45 LYS H A 43 GLN HG3 1.0 . 5.34 783 582 A 44 ARG HA A 44 ARG HG3 1.0 . 3.67 784 582 A 44 ARG HA A 44 ARG HG2 1.0 . 3.67 785 583 A 44 ARG HA A 44 ARG HDx 1.0 . 4.31 786 583 A 44 ARG HDy A 44 ARG HA 1.0 . 4.31 787 584 A 44 ARG HB3 A 44 ARG HDx 1.0 . 3.18 788 584 A 44 ARG HB2 A 44 ARG HDx 1.0 . 3.18 789 584 A 44 ARG HDy A 44 ARG HB3 1.0 . 3.18 790 584 A 44 ARG HDy A 44 ARG HB2 1.0 . 3.18 791 585 A 68 TYR HE% A 44 ARG HB3 1.0 . 5.34 792 585 A 68 TYR HE% A 44 ARG HB2 1.0 . 5.34 793 586 A 45 LYS H A 45 LYS HBy 1.0 . 3.12 794 586 A 45 LYS H A 45 LYS HBx 1.0 . 3.12 795 587 A 45 LYS H A 45 LYS HGx 1.0 . 5.05 796 587 A 45 LYS H A 45 LYS HGy 1.0 . 5.05 797 588 A 45 LYS H A 46 VAL HGy% 1.0 . 3.61 798 588 A 45 LYS H A 46 VAL HGx% 1.0 . 3.61 799 589 A 45 LYS HA A 45 LYS HGx 1.0 . 3.68 800 589 A 45 LYS HA A 45 LYS HGy 1.0 . 3.68 801 590 A 45 LYS HA A 46 VAL HGy% 1.0 . 5.12 802 590 A 45 LYS HA A 46 VAL HGx% 1.0 . 5.12 803 591 A 45 LYS HBx A 45 LYS HDy 1.0 . 3.30 804 591 A 45 LYS HBy A 45 LYS HDy 1.0 . 3.30 805 591 A 45 LYS HDx A 45 LYS HBy 1.0 . 3.30 806 591 A 45 LYS HBx A 45 LYS HDx 1.0 . 3.30 807 592 A 45 LYS HBx A 45 LYS HE2 1.0 . 5.34 808 592 A 45 LYS HE3 A 45 LYS HBy 1.0 . 5.34 809 592 A 45 LYS HE3 A 45 LYS HBx 1.0 . 5.34 810 592 A 45 LYS HBy A 45 LYS HE2 1.0 . 5.34 811 593 A 68 TYR HE% A 45 LYS HBy 1.0 . 5.34 812 593 A 68 TYR HE% A 45 LYS HBx 1.0 . 5.34 813 594 A 45 LYS HE3 A 45 LYS HGx 1.0 . 3.53 814 594 A 45 LYS HE2 A 45 LYS HGx 1.0 . 3.53 815 594 A 45 LYS HGy A 45 LYS HE2 1.0 . 3.53 816 594 A 45 LYS HE3 A 45 LYS HGy 1.0 . 3.53 817 595 A 46 VAL H A 45 LYS HGx 1.0 . 3.77 818 595 A 46 VAL H A 45 LYS HGy 1.0 . 3.77 819 596 A 59 ALA HB% A 45 LYS HGx 1.0 . 4.64 820 596 A 59 ALA HB% A 45 LYS HGy 1.0 . 4.64 821 597 A 46 VAL H A 46 VAL HGy% 1.0 . 3.17 822 597 A 46 VAL H A 46 VAL HGx% 1.0 . 3.17 823 598 A 46 VAL HA A 46 VAL HGy% 1.0 . 3.10 824 598 A 46 VAL HA A 46 VAL HGx% 1.0 . 3.10 825 599 A 47 THR H A 46 VAL HGy% 1.0 . 3.15 826 599 A 47 THR H A 46 VAL HGx% 1.0 . 3.15 827 600 A 48 CYS H A 46 VAL HGy% 1.0 . 5.44 828 600 A 48 CYS H A 46 VAL HGx% 1.0 . 5.44 829 601 A 59 ALA HB% A 46 VAL HGy% 1.0 . 5.44 830 601 A 59 ALA HB% A 46 VAL HGx% 1.0 . 5.44 831 602 A 60 PHE H A 46 VAL HGy% 1.0 . 3.99 832 602 A 60 PHE H A 46 VAL HGx% 1.0 . 3.99 833 603 A 60 PHE HE% A 46 VAL HGy% 1.0 . 3.05 834 603 A 60 PHE HE% A 46 VAL HGx% 1.0 . 3.05 835 604 A 62 ARG H A 46 VAL HGy% 1.0 . 3.93 836 604 A 62 ARG H A 46 VAL HGx% 1.0 . 3.93 837 605 A 46 VAL HGx% A 62 ARG HBx 1.0 . 4.09 838 605 A 46 VAL HGy% A 62 ARG HBx 1.0 . 4.09 839 605 A 62 ARG HBy A 46 VAL HGy% 1.0 . 4.09 840 605 A 46 VAL HGx% A 62 ARG HBy 1.0 . 4.09 841 606 A 46 VAL HGx% A 62 ARG HDx 1.0 . 3.74 842 606 A 46 VAL HGy% A 62 ARG HDx 1.0 . 3.74 843 606 A 62 ARG HDy A 46 VAL HGy% 1.0 . 3.74 844 606 A 46 VAL HGx% A 62 ARG HDy 1.0 . 3.74 845 607 A 63 GLU H A 46 VAL HGy% 1.0 . 5.44 846 607 A 63 GLU H A 46 VAL HGx% 1.0 . 5.44 847 608 A 68 TYR HD1 A 46 VAL HGy% 1.0 . 4.84 848 608 A 68 TYR HD1 A 46 VAL HGx% 1.0 . 4.84 849 609 A 47 THR HB A 49 GLU HBy 1.0 . 5.34 850 609 A 47 THR HB A 49 GLU HBx 1.0 . 5.34 851 610 A 47 THR HG2% A 49 GLU HBy 1.0 . 4.90 852 610 A 47 THR HG2% A 49 GLU HBx 1.0 . 4.90 853 611 A 47 THR HG2% A 49 GLU HG2 1.0 . 4.41 854 611 A 47 THR HG2% A 49 GLU HG3 1.0 . 4.41 855 612 A 47 THR HG2% A 57 GLY HAy 1.0 . 5.34 856 612 A 47 THR HG2% A 57 GLY HAx 1.0 . 5.34 857 613 A 48 CYS H A 48 CYS HBx 1.0 . 3.11 858 613 A 48 CYS H A 48 CYS HBy 1.0 . 3.11 859 614 A 56 CYS H A 48 CYS HBx 1.0 . 4.72 860 614 A 56 CYS H A 48 CYS HBy 1.0 . 4.72 861 615 A 57 GLY H A 48 CYS HBx 1.0 . 4.49 862 615 A 57 GLY H A 48 CYS HBy 1.0 . 4.49 863 616 A 60 PHE H A 48 CYS HBx 1.0 . 5.34 864 616 A 60 PHE H A 48 CYS HBy 1.0 . 5.34 865 617 A 60 PHE HE% A 48 CYS HBx 1.0 . 5.34 866 617 A 60 PHE HE% A 48 CYS HBy 1.0 . 5.34 867 618 A 49 GLU H A 49 GLU HBy 1.0 . 3.16 868 618 A 49 GLU H A 49 GLU HBx 1.0 . 3.16 869 619 A 49 GLU H A 49 GLU HG2 1.0 . 3.27 870 619 A 49 GLU H A 49 GLU HG3 1.0 . 3.27 871 620 A 49 GLU HA A 49 GLU HG2 1.0 . 3.69 872 620 A 49 GLU HA A 49 GLU HG3 1.0 . 3.69 873 621 A 49 GLU HA A 55 GLY HA2 1.0 . 3.57 874 621 A 49 GLU HA A 55 GLY HA3 1.0 . 3.57 875 622 A 50 GLY H A 49 GLU HBy 1.0 . 4.30 876 622 A 50 GLY H A 49 GLU HBx 1.0 . 4.30 877 623 A 49 GLU HBx A 55 GLY HA2 1.0 . 4.76 878 623 A 55 GLY HA3 A 49 GLU HBy 1.0 . 4.76 879 623 A 49 GLU HBx A 55 GLY HA3 1.0 . 4.76 880 623 A 49 GLU HBy A 55 GLY HA2 1.0 . 4.76 881 624 A 55 GLY H A 49 GLU HG2 1.0 . 5.34 882 624 A 55 GLY H A 49 GLU HG3 1.0 . 5.34 883 625 A 49 GLU HG3 A 55 GLY HA2 1.0 . 4.76 884 625 A 55 GLY HA3 A 49 GLU HG2 1.0 . 4.76 885 625 A 49 GLU HG3 A 55 GLY HA3 1.0 . 4.76 886 625 A 49 GLU HG2 A 55 GLY HA2 1.0 . 4.76 887 626 A 54 LEU H A 52 ASN HBy 1.0 . 4.22 888 626 A 54 LEU H A 52 ASN HBx 1.0 . 4.22 889 627 A 54 LEU H A 54 LEU HDx% 1.0 . 4.61 890 627 A 54 LEU H A 54 LEU HDy% 1.0 . 4.61 891 628 A 54 LEU HA A 54 LEU HDx% 1.0 . 3.05 892 628 A 54 LEU HDy% A 54 LEU HA 1.0 . 3.05 893 629 A 54 LEU HBx A 54 LEU HDx% 1.0 . 3.02 894 629 A 54 LEU HBx A 54 LEU HDy% 1.0 . 3.02 895 630 A 55 GLY H A 54 LEU HDx% 1.0 . 4.67 896 630 A 55 GLY H A 54 LEU HDy% 1.0 . 4.67 897 631 A 56 CYS H A 55 GLY HA2 1.0 . 2.82 898 631 A 56 CYS H A 55 GLY HA3 1.0 . 2.82 899 632 A 55 GLY HA3 A 56 CYS HBx 1.0 . 4.76 900 632 A 55 GLY HA2 A 56 CYS HBx 1.0 . 4.76 901 632 A 56 CYS HBy A 55 GLY HA2 1.0 . 4.76 902 632 A 55 GLY HA3 A 56 CYS HBy 1.0 . 4.76 903 633 A 57 GLY H A 55 GLY HA2 1.0 . 4.14 904 633 A 57 GLY H A 55 GLY HA3 1.0 . 4.14 905 634 A 57 GLY H A 56 CYS HBx 1.0 . 3.50 906 634 A 57 GLY H A 56 CYS HBy 1.0 . 3.50 907 635 A 57 GLY H A 58 PHE HBx 1.0 . 5.14 908 635 A 57 GLY H A 58 PHE HBy 1.0 . 5.14 909 636 A 58 PHE H A 58 PHE HBx 1.0 . 2.83 910 636 A 58 PHE H A 58 PHE HBy 1.0 . 2.83 911 637 A 58 PHE HD1 A 58 PHE HBx 1.0 . 3.05 912 637 A 58 PHE HD1 A 58 PHE HBy 1.0 . 3.05 913 638 A 62 ARG H A 62 ARG HBx 1.0 . 3.64 914 638 A 62 ARG H A 62 ARG HBy 1.0 . 3.64 915 639 A 62 ARG H A 62 ARG HG3 1.0 . 4.08 916 639 A 62 ARG H A 62 ARG HG2 1.0 . 4.08 917 640 A 63 GLU H A 62 ARG HBx 1.0 . 3.87 918 640 A 63 GLU H A 62 ARG HBy 1.0 . 3.87 919 641 A 64 CYS H A 62 ARG HBx 1.0 . 5.34 920 641 A 64 CYS H A 62 ARG HBy 1.0 . 5.34 921 642 A 63 GLU H A 62 ARG HG3 1.0 . 4.05 922 642 A 63 GLU H A 62 ARG HG2 1.0 . 4.05 923 643 A 63 GLU HA A 63 GLU HG2 1.0 . 3.26 924 643 A 63 GLU HA A 63 GLU HG3 1.0 . 3.26 925 644 A 64 CYS H A 64 CYS HBx 1.0 . 3.39 926 644 A 64 CYS H A 64 CYS HBy 1.0 . 3.39 927 645 A 64 CYS H A 65 LYS HBx 1.0 . 5.34 928 645 A 64 CYS H A 65 LYS HBy 1.0 . 5.34 929 646 A 64 CYS H A 73 CYS HBx 1.0 . 5.34 930 646 A 64 CYS H A 73 CYS HBy 1.0 . 5.34 931 647 A 64 CYS HA A 64 CYS HBx 1.0 . 2.63 932 647 A 64 CYS HBy A 64 CYS HA 1.0 . 2.63 933 648 A 73 CYS H A 64 CYS HBx 1.0 . 4.65 934 648 A 73 CYS H A 64 CYS HBy 1.0 . 4.65 935 649 A 73 CYS HA A 64 CYS HBx 1.0 . 5.34 936 649 A 73 CYS HA A 64 CYS HBy 1.0 . 5.34 937 650 A 64 CYS HBx A 73 CYS HBx 1.0 . 2.88 938 650 A 64 CYS HBy A 73 CYS HBx 1.0 . 2.88 939 650 A 73 CYS HBy A 64 CYS HBx 1.0 . 2.88 940 650 A 64 CYS HBy A 73 CYS HBy 1.0 . 2.88 941 651 A 65 LYS H A 65 LYS HBx 1.0 . 3.52 942 651 A 65 LYS H A 65 LYS HBy 1.0 . 3.52 943 652 A 65 LYS HBy A 65 LYS HE2 1.0 . 4.02 944 652 A 65 LYS HBx A 65 LYS HE2 1.0 . 4.02 945 652 A 65 LYS HE3 A 65 LYS HBx 1.0 . 4.02 946 652 A 65 LYS HE3 A 65 LYS HBy 1.0 . 4.02 947 653 A 66 GLU HA A 66 GLU HG2 1.0 . 3.43 948 653 A 66 GLU HA A 66 GLU HG3 1.0 . 3.43 949 654 A 68 TYR H A 68 TYR HBy 1.0 . 3.34 950 654 A 68 TYR H A 68 TYR HBx 1.0 . 3.34 951 655 A 68 TYR HE% A 70 GLU HGy 1.0 . 4.83 952 655 A 68 TYR HE% A 70 GLU HGx 1.0 . 4.83 953 656 A 68 TYR HD2 A 70 GLU HGy 1.0 . 4.92 954 656 A 70 GLU HGx A 68 TYR HD2 1.0 . 4.92 955 657 A 70 GLU H A 69 HIS HBx 1.0 . 4.02 956 657 A 70 GLU H A 69 HIS HBy 1.0 . 4.02 957 658 A 69 HIS HE1 A 73 CYS HBx 1.0 . 4.47 958 658 A 69 HIS HE1 A 73 CYS HBy 1.0 . 4.47 959 659 A 70 GLU HA A 70 GLU HBy 1.0 . 2.61 960 659 A 70 GLU HA A 70 GLU HBx 1.0 . 2.61 961 660 A 70 GLU HA A 70 GLU HGy 1.0 . 2.80 962 660 A 70 GLU HA A 70 GLU HGx 1.0 . 2.80 963 661 A 71 GLY H A 70 GLU HBy 1.0 . 4.01 964 661 A 71 GLY H A 70 GLU HBx 1.0 . 4.01 965 662 A 70 GLU HBy A 71 GLY HAy 1.0 . 4.33 966 662 A 70 GLU HBx A 71 GLY HAy 1.0 . 4.33 967 662 A 71 GLY HAx A 70 GLU HBy 1.0 . 4.33 968 662 A 70 GLU HBx A 71 GLY HAx 1.0 . 4.33 969 663 A 72 GLU H A 71 GLY HAy 1.0 . 2.77 970 663 A 72 GLU H A 71 GLY HAx 1.0 . 2.77 971 664 A 72 GLU H A 72 GLU HBy 1.0 . 2.95 972 664 A 72 GLU H A 72 GLU HBx 1.0 . 2.95 973 665 A 72 GLU H A 72 GLU HG2 1.0 . 4.72 974 665 A 72 GLU H A 72 GLU HG3 1.0 . 4.72 975 666 A 72 GLU HA A 72 GLU HG2 1.0 . 3.44 976 666 A 72 GLU HA A 72 GLU HG3 1.0 . 3.44 977 667 A 73 CYS H A 72 GLU HBy 1.0 . 3.43 978 667 A 73 CYS H A 72 GLU HBx 1.0 . 3.43 979 668 A 74 SER H A 72 GLU HBy 1.0 . 4.73 980 668 A 74 SER H A 72 GLU HBx 1.0 . 4.73 981 669 A 73 CYS H A 72 GLU HG2 1.0 . 4.13 982 669 A 73 CYS H A 72 GLU HG3 1.0 . 4.13 983 670 A 73 CYS H A 73 CYS HBx 1.0 . 3.06 984 670 A 73 CYS H A 73 CYS HBy 1.0 . 3.06 985 671 A 74 SER H A 74 SER HB2 1.0 . 2.79 986 671 A 74 SER H A 74 SER HB3 1.0 . 2.79 987 672 A 75 ALA H A 74 SER HB2 1.0 . 4.04 988 672 A 75 ALA H A 74 SER HB3 1.0 . 4.04 989 673 A 76 VAL H A 76 VAL HGy% 1.0 . 3.07 990 673 A 76 VAL H A 76 VAL HGx% 1.0 . 3.07 991 674 A 76 VAL HA A 76 VAL HGy% 1.0 . 2.97 992 674 A 76 VAL HA A 76 VAL HGx% 1.0 . 2.97 993 675 A 77 PHE H A 76 VAL HGy% 1.0 . 3.51 994 675 A 77 PHE H A 76 VAL HGx% 1.0 . 3.51 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 2 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 3 save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 save_