data_nef_c34072_5ml1 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 34076 PDB 5ML1 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 11 CYS SG 2 7 CD CD 1 15 CYS SG 2 9 CD CD 1 15 CYS SG 2 7 CD CD 1 20 CYS SG 2 9 CD CD 1 22 CYS SG 2 8 CD CD 1 27 CYS SG 2 8 CD CD 1 29 CYS SG 2 8 CD CD 1 29 CYS SG 2 7 CD CD 1 33 CYS SG 2 7 CD CD 1 35 CYS SG 2 9 CD CD 1 38 CYS SG 2 8 CD CD 1 38 CYS SG 2 9 CD CD 1 44 CYS SG 2 5 CD CD 1 48 CYS SG 2 4 CD CD 1 48 CYS SG 2 5 CD CD 1 53 CYS SG 2 4 CD CD 1 55 CYS SG 2 6 CD CD 1 59 CYS SG 2 6 CD CD 1 61 CYS SG 2 6 CD CD 1 61 CYS SG 2 5 CD CD 1 65 CYS SG 2 5 CD CD 1 67 CYS SG 2 4 CD CD 1 70 CYS SG 2 6 CD CD 1 70 CYS SG 2 4 CD CD 1 74 CYS SG 2 1 CD CD 1 76 CYS SG 2 1 CD CD 1 81 CYS SG 2 2 CD CD 1 83 CYS SG 2 3 CD CD 1 87 CYS SG 2 2 CD CD 1 93 CYS SG 2 1 CD CD 1 93 CYS SG 2 2 CD CD 1 95 CYS SG 2 2 CD CD 1 95 CYS SG 2 3 CD CD 1 99 CYS SG 2 3 CD CD 1 101 CYS SG 2 1 CD CD 1 101 CYS SG 2 3 CD CD 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 SER middle . . 3 A 3 MET middle . . 4 A 4 SER middle . . 5 A 5 SER middle . . 6 A 6 VAL middle . . 7 A 7 PHE middle . . 8 A 8 GLY middle . false 9 A 9 ALA middle . . 10 A 10 GLY middle . false 11 A 11 CYS middle -HG . 12 A 12 THR middle . . 13 A 13 ASP middle . . 14 A 14 VAL middle . . 15 A 15 CYS middle -HG . 16 A 16 LYS middle . . 17 A 17 GLN middle . . 18 A 18 THR middle . . 19 A 19 PRO middle . true 20 A 20 CYS middle -HG . 21 A 21 GLY middle . false 22 A 22 CYS middle -HG . 23 A 23 ALA middle . . 24 A 24 THR middle . . 25 A 25 SER middle . . 26 A 26 GLY middle . false 27 A 27 CYS middle -HG . 28 A 28 ASN middle . . 29 A 29 CYS middle -HG . 30 A 30 THR middle . . 31 A 31 ASP middle . . 32 A 32 ASP middle . . 33 A 33 CYS middle -HG . 34 A 34 LYS middle . . 35 A 35 CYS middle -HG . 36 A 36 GLN middle . . 37 A 37 SER middle . . 38 A 38 CYS middle -HG . 39 A 39 LYS middle . . 40 A 40 TYR middle . . 41 A 41 GLY middle . false 42 A 42 ALA middle . . 43 A 43 GLY middle . false 44 A 44 CYS middle -HG . 45 A 45 THR middle . . 46 A 46 ASP middle . . 47 A 47 THR middle . . 48 A 48 CYS middle -HG . 49 A 49 LYS middle . . 50 A 50 GLN middle . . 51 A 51 THR middle . . 52 A 52 PRO middle . true 53 A 53 CYS middle -HG . 54 A 54 GLY middle . false 55 A 55 CYS middle -HG . 56 A 56 GLY middle . false 57 A 57 SER middle . . 58 A 58 GLY middle . false 59 A 59 CYS middle -HG . 60 A 60 ASN middle . . 61 A 61 CYS middle -HG . 62 A 62 LYS middle . . 63 A 63 GLU middle . . 64 A 64 ASP middle . . 65 A 65 CYS middle -HG . 66 A 66 ARG middle . . 67 A 67 CYS middle -HG . 68 A 68 GLN middle . . 69 A 69 SER middle . . 70 A 70 CYS middle -HG . 71 A 71 SER middle . . 72 A 72 THR middle . . 73 A 73 ALA middle . . 74 A 74 CYS middle -HG . 75 A 75 LYS middle . . 76 A 76 CYS middle -HG . 77 A 77 ALA middle . . 78 A 78 ALA middle . . 79 A 79 GLY middle . false 80 A 80 SER middle . . 81 A 81 CYS middle -HG . 82 A 82 LYS middle . . 83 A 83 CYS middle -HG . 84 A 84 GLY middle . false 85 A 85 LYS middle . . 86 A 86 GLY middle . false 87 A 87 CYS middle -HG . 88 A 88 THR middle . . 89 A 89 GLY middle . false 90 A 90 PRO middle . false 91 A 91 ASP middle . . 92 A 92 SER middle . . 93 A 93 CYS middle -HG . 94 A 94 LYS middle . . 95 A 95 CYS middle -HG . 96 A 96 ASP middle . . 97 A 97 ARG middle . . 98 A 98 SER middle . . 99 A 99 CYS middle -HG . 100 A 100 SER middle . . 101 A 101 CYS middle -HG . 102 A 102 LYS end . . 103 B 1 CD . . . 104 B 2 CD . . . 105 B 3 CD . . . 106 B 4 CD . . . 107 B 5 CD . . . 108 B 6 CD . . . 109 B 7 CD . . . 110 B 8 CD . . . 111 B 9 CD . . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 5 SER HA H 1 4.515 0.005 A 5 SER HBx H 1 3.816 0.005 A 5 SER HBy H 1 3.902 0.005 A 5 SER CA C 13 58.228 0.02 A 5 SER CB C 13 63.745 0.02 A 6 VAL H H 1 7.881 0.005 A 6 VAL HA H 1 4.031 0.005 A 6 VAL HB H 1 1.86 0.005 A 6 VAL HGx% H 1 0.736 0.005 A 6 VAL HGy% H 1 0.759 0.005 A 6 VAL CA C 13 62.259 0.02 A 6 VAL CB C 13 32.625 0.02 A 6 VAL CGx C 13 19.886 0.02 A 6 VAL CGy C 13 20.957 0.02 A 6 VAL N N 15 120.898 0.04 A 7 PHE H H 1 8.048 0.005 A 7 PHE HA H 1 5.097 0.005 A 7 PHE HBx H 1 2.84 0.005 A 7 PHE HBy H 1 3.286 0.005 A 7 PHE CA C 13 56.794 0.02 A 7 PHE CB C 13 40.923 0.02 A 7 PHE N N 15 120.132 0.04 A 8 GLY H H 1 8.902 0.005 A 8 GLY HAx H 1 3.882 0.005 A 8 GLY HAy H 1 4.197 0.005 A 8 GLY CA C 13 44.365 0.02 A 8 GLY N N 15 111.565 0.04 A 9 ALA H H 1 8.664 0.005 A 9 ALA HA H 1 4.15 0.005 A 9 ALA HB% H 1 1.471 0.005 A 9 ALA CA C 13 54.46 0.02 A 9 ALA CB C 13 17.881 0.02 A 9 ALA N N 15 125.698 0.04 A 10 GLY H H 1 9.55 0.005 A 10 GLY HAx H 1 4.141 0.005 A 10 GLY HAy H 1 4.141 0.005 A 10 GLY CA C 13 44.782 0.02 A 10 GLY N N 15 107.543 0.04 A 11 CYS H H 1 7.291 0.005 A 11 CYS HA H 1 4.672 0.005 A 11 CYS HBx H 1 2.991 0.005 A 11 CYS HBy H 1 3.105 0.005 A 11 CYS CA C 13 64.234 0.02 A 11 CYS CB C 13 30.745 0.02 A 11 CYS N N 15 119.906 0.04 A 12 THR H H 1 7.204 0.005 A 12 THR HA H 1 4.299 0.005 A 12 THR HB H 1 4.772 0.005 A 12 THR HG2% H 1 1.343 0.005 A 12 THR CA C 13 59.763 0.02 A 12 THR CB C 13 71.279 0.02 A 12 THR CG2 C 13 22.536 0.02 A 12 THR N N 15 113.625 0.04 A 13 ASP H H 1 8.796 0.005 A 13 ASP HA H 1 4.172 0.005 A 13 ASP HBx H 1 2.586 0.005 A 13 ASP HBy H 1 2.667 0.005 A 13 ASP CA C 13 56.97 0.02 A 13 ASP CB C 13 39.375 0.02 A 13 ASP N N 15 118.809 0.04 A 14 VAL H H 1 7.143 0.005 A 14 VAL HA H 1 3.716 0.005 A 14 VAL HB H 1 1.923 0.005 A 14 VAL HGx% H 1 0.932 0.005 A 14 VAL HGy% H 1 1.031 0.005 A 14 VAL CA C 13 65.379 0.02 A 14 VAL CB C 13 32.204 0.02 A 14 VAL CGx C 13 21.492 0.02 A 14 VAL CGy C 13 22.027 0.02 A 14 VAL N N 15 117.761 0.04 A 15 CYS H H 1 7.469 0.005 A 15 CYS HA H 1 5.608 0.005 A 15 CYS HBx H 1 2.792 0.005 A 15 CYS HBy H 1 3.176 0.005 A 15 CYS CA C 13 60.728 0.02 A 15 CYS CB C 13 31.209 0.02 A 15 CYS N N 15 125.682 0.04 A 16 LYS H H 1 6.811 0.005 A 16 LYS HA H 1 3.871 0.005 A 16 LYS HBx H 1 1.323 0.005 A 16 LYS HBy H 1 1.633 0.005 A 16 LYS HDx H 1 1.176 0.005 A 16 LYS HDy H 1 1.243 0.005 A 16 LYS HEx H 1 2.373 0.005 A 16 LYS HEy H 1 2.373 0.005 A 16 LYS HGx H 1 -0.409 0.005 A 16 LYS HGy H 1 0.993 0.005 A 16 LYS CA C 13 56.26 0.02 A 16 LYS CB C 13 32.818 0.02 A 16 LYS CD C 13 29.604 0.02 A 16 LYS CE C 13 42.151 0.02 A 16 LYS CG C 13 24.429 0.02 A 16 LYS N N 15 111.748 0.04 A 17 GLN H H 1 7.125 0.005 A 17 GLN HA H 1 4.107 0.005 A 17 GLN HBx H 1 2.08 0.005 A 17 GLN HBy H 1 2.177 0.005 A 17 GLN HE2x H 1 6.884 0.005 A 17 GLN HE2y H 1 7.511 0.005 A 17 GLN HGx H 1 2.489 0.005 A 17 GLN HGy H 1 2.936 0.005 A 17 GLN CA C 13 56.097 0.02 A 17 GLN CB C 13 29.495 0.02 A 17 GLN CG C 13 34.323 0.02 A 17 GLN N N 15 119.614 0.04 A 17 GLN NE2 N 15 110.339 0.04 A 18 THR H H 1 8.24 0.005 A 18 THR HA H 1 4.652 0.005 A 18 THR HB H 1 4.071 0.005 A 18 THR HG2% H 1 1.189 0.005 A 18 THR CA C 13 58.001 0.02 A 18 THR CB C 13 70.327 0.02 A 18 THR CG2 C 13 20.673 0.02 A 18 THR N N 15 112.899 0.04 A 19 PRO HA H 1 4.947 0.005 A 19 PRO HBx H 1 2.213 0.005 A 19 PRO HBy H 1 2.385 0.005 A 19 PRO HDx H 1 3.46 0.005 A 19 PRO HDy H 1 3.54 0.005 A 19 PRO HGx H 1 1.715 0.005 A 19 PRO HGy H 1 1.976 0.005 A 19 PRO CA C 13 63.408 0.02 A 19 PRO CB C 13 34.552 0.02 A 19 PRO CD C 13 49.275 0.02 A 19 PRO CG C 13 24.45 0.02 A 20 CYS H H 1 8.231 0.005 A 20 CYS HA H 1 4.212 0.005 A 20 CYS HBx H 1 2.822 0.005 A 20 CYS HBy H 1 3.354 0.005 A 20 CYS CA C 13 61.403 0.02 A 20 CYS CB C 13 29.834 0.02 A 20 CYS N N 15 120.44 0.04 A 21 GLY H H 1 8.408 0.005 A 21 GLY HAx H 1 3.71 0.005 A 21 GLY HAy H 1 4.452 0.005 A 21 GLY CA C 13 46.199 0.02 A 21 GLY N N 15 116.604 0.04 A 22 CYS H H 1 9.511 0.005 A 22 CYS HA H 1 3.771 0.005 A 22 CYS HBx H 1 2.85 0.005 A 22 CYS HBy H 1 2.901 0.005 A 22 CYS CA C 13 63.836 0.02 A 22 CYS CB C 13 29.645 0.02 A 22 CYS N N 15 127.079 0.04 A 23 ALA H H 1 8.108 0.005 A 23 ALA HA H 1 4.071 0.005 A 23 ALA HB% H 1 1.462 0.005 A 23 ALA CA C 13 54.774 0.02 A 23 ALA CB C 13 18.089 0.02 A 23 ALA N N 15 119.963 0.04 A 24 THR H H 1 7.525 0.005 A 24 THR HA H 1 4.263 0.005 A 24 THR HB H 1 4.259 0.005 A 24 THR HG2% H 1 1.237 0.005 A 24 THR CA C 13 63.739 0.02 A 24 THR CB C 13 69.041 0.02 A 24 THR CG2 C 13 21.685 0.02 A 24 THR N N 15 108.951 0.04 A 25 SER H H 1 7.831 0.005 A 25 SER HA H 1 4.637 0.005 A 25 SER HBx H 1 3.856 0.005 A 25 SER HBy H 1 3.924 0.005 A 25 SER CA C 13 59.21 0.02 A 25 SER CB C 13 64.396 0.02 A 25 SER N N 15 113.933 0.04 A 26 GLY H H 1 8.02 0.005 A 26 GLY HAx H 1 3.589 0.005 A 26 GLY HAy H 1 4.415 0.005 A 26 GLY CA C 13 44.296 0.02 A 26 GLY N N 15 113.272 0.04 A 27 CYS H H 1 8.443 0.005 A 27 CYS HA H 1 4.942 0.005 A 27 CYS HBx H 1 2.992 0.005 A 27 CYS HBy H 1 3.042 0.005 A 27 CYS CA C 13 59.767 0.02 A 27 CYS CB C 13 30.525 0.02 A 27 CYS N N 15 123.822 0.04 A 28 ASN H H 1 9.341 0.005 A 28 ASN HA H 1 5.294 0.005 A 28 ASN HBx H 1 2.429 0.005 A 28 ASN HBy H 1 3.143 0.005 A 28 ASN HD2x H 1 7.006 0.005 A 28 ASN HD2y H 1 7.63 0.005 A 28 ASN CA C 13 52.604 0.02 A 28 ASN CB C 13 39.885 0.02 A 28 ASN N N 15 129.924 0.04 A 28 ASN ND2 N 15 113.532 0.04 A 29 CYS H H 1 8.824 0.005 A 29 CYS HA H 1 4.518 0.005 A 29 CYS HBx H 1 3.078 0.005 A 29 CYS HBy H 1 3.646 0.005 A 29 CYS CA C 13 60.736 0.02 A 29 CYS CB C 13 29.731 0.02 A 29 CYS N N 15 121.831 0.04 A 30 THR H H 1 8.637 0.005 A 30 THR HA H 1 4.793 0.005 A 30 THR HB H 1 4.596 0.005 A 30 THR HG2% H 1 1.269 0.005 A 30 THR CA C 13 60.04 0.02 A 30 THR CB C 13 69.488 0.02 A 30 THR CG2 C 13 21.479 0.02 A 30 THR N N 15 112.478 0.04 A 31 ASP H H 1 8.465 0.005 A 31 ASP HA H 1 4.381 0.005 A 31 ASP HBx H 1 2.724 0.005 A 31 ASP HBy H 1 2.757 0.005 A 31 ASP CA C 13 55.984 0.02 A 31 ASP CB C 13 40.418 0.02 A 31 ASP N N 15 117.271 0.04 A 32 ASP H H 1 7.695 0.005 A 32 ASP HA H 1 4.538 0.005 A 32 ASP HBy H 1 3.058 0.005 A 32 ASP HBx H 1 2.551 0.005 A 32 ASP CA C 13 53.032 0.02 A 32 ASP CB C 13 40.041 0.02 A 32 ASP N N 15 116.981 0.04 A 33 CYS H H 1 7.132 0.005 A 33 CYS HA H 1 3.747 0.005 A 33 CYS HBx H 1 2.756 0.005 A 33 CYS HBy H 1 3.436 0.005 A 33 CYS CA C 13 62.336 0.02 A 33 CYS CB C 13 31.394 0.02 A 33 CYS N N 15 122.332 0.04 A 34 LYS H H 1 8.165 0.005 A 34 LYS HA H 1 4.608 0.005 A 34 LYS HBx H 1 1.594 0.005 A 34 LYS HBy H 1 2.078 0.005 A 34 LYS HEx H 1 2.918 0.005 A 34 LYS HEy H 1 2.958 0.005 A 34 LYS HGx H 1 1.375 0.005 A 34 LYS HGy H 1 1.436 0.005 A 34 LYS CA C 13 54.777 0.02 A 34 LYS CB C 13 32.772 0.02 A 34 LYS CE C 13 42.181 0.02 A 34 LYS CG C 13 24.205 0.02 A 34 LYS N N 15 128.86 0.04 A 35 CYS H H 1 9.393 0.005 A 35 CYS HA H 1 4.222 0.005 A 35 CYS HBx H 1 2.757 0.005 A 35 CYS HBy H 1 3.458 0.005 A 35 CYS CA C 13 60.4 0.02 A 35 CYS CB C 13 31.288 0.02 A 35 CYS N N 15 129.232 0.04 A 36 GLN H H 1 9.126 0.005 A 36 GLN HA H 1 4.218 0.005 A 36 GLN HBx H 1 2.157 0.005 A 36 GLN HBy H 1 2.293 0.005 A 36 GLN HE2x H 1 6.934 0.005 A 36 GLN HE2y H 1 7.57 0.005 A 36 GLN HGx H 1 2.483 0.005 A 36 GLN HGy H 1 2.592 0.005 A 36 GLN CA C 13 58.042 0.02 A 36 GLN CB C 13 28.456 0.02 A 36 GLN CG C 13 34.176 0.02 A 36 GLN N N 15 128.051 0.04 A 36 GLN NE2 N 15 112.392 0.04 A 37 SER H H 1 9.221 0.005 A 37 SER HA H 1 4.65 0.005 A 37 SER HBx H 1 4.008 0.005 A 37 SER HBy H 1 4.083 0.005 A 37 SER CA C 13 60.985 0.02 A 37 SER CB C 13 63.733 0.02 A 37 SER N N 15 115.991 0.04 A 38 CYS H H 1 7.671 0.005 A 38 CYS HA H 1 5.033 0.005 A 38 CYS HBx H 1 3.232 0.005 A 38 CYS HBy H 1 3.458 0.005 A 38 CYS CA C 13 58.998 0.02 A 38 CYS CB C 13 33.028 0.02 A 38 CYS N N 15 115.3 0.04 A 39 LYS H H 1 7.783 0.005 A 39 LYS HA H 1 4.271 0.005 A 39 LYS HBx H 1 1.533 0.005 A 39 LYS HBy H 1 1.804 0.005 A 39 LYS HDx H 1 1.428 0.005 A 39 LYS HDy H 1 1.585 0.005 A 39 LYS HEx H 1 2.932 0.005 A 39 LYS HEy H 1 2.932 0.005 A 39 LYS HGx H 1 1.035 0.005 A 39 LYS HGy H 1 1.035 0.005 A 39 LYS CA C 13 57.307 0.02 A 39 LYS CB C 13 32.988 0.02 A 39 LYS CD C 13 28.638 0.02 A 39 LYS CE C 13 42.131 0.02 A 39 LYS CG C 13 24.394 0.02 A 39 LYS N N 15 122.511 0.04 A 40 TYR H H 1 7.341 0.005 A 40 TYR HA H 1 4.959 0.005 A 40 TYR HBx H 1 2.727 0.005 A 40 TYR HBy H 1 3.288 0.005 A 40 TYR CA C 13 55.816 0.02 A 40 TYR CB C 13 40.923 0.02 A 40 TYR N N 15 114.285 0.04 A 41 GLY H H 1 8.688 0.005 A 41 GLY HAx H 1 3.771 0.005 A 41 GLY HAy H 1 4.203 0.005 A 41 GLY CA C 13 44.657 0.02 A 41 GLY N N 15 108.796 0.04 A 42 ALA H H 1 8.477 0.005 A 42 ALA HA H 1 4.137 0.005 A 42 ALA HB% H 1 1.47 0.005 A 42 ALA CA C 13 54.758 0.02 A 42 ALA CB C 13 17.891 0.02 A 42 ALA N N 15 126.503 0.04 A 43 GLY H H 1 9.424 0.005 A 43 GLY HAx H 1 3.624 0.005 A 43 GLY HAy H 1 4.182 0.005 A 43 GLY CA C 13 45.013 0.02 A 43 GLY N N 15 106.18 0.04 A 44 CYS H H 1 7.324 0.005 A 44 CYS HA H 1 4.538 0.005 A 44 CYS HBx H 1 2.964 0.005 A 44 CYS HBy H 1 3.027 0.005 A 44 CYS CA C 13 64.469 0.02 A 44 CYS CB C 13 30.576 0.02 A 44 CYS N N 15 119.757 0.04 A 45 THR H H 1 7.211 0.005 A 45 THR HA H 1 4.3 0.005 A 45 THR HB H 1 4.751 0.005 A 45 THR HG2% H 1 1.345 0.005 A 45 THR CA C 13 59.768 0.02 A 45 THR CB C 13 71.286 0.02 A 45 THR CG2 C 13 22.553 0.02 A 45 THR N N 15 113.203 0.04 A 46 ASP H H 1 8.902 0.005 A 46 ASP HA H 1 4.167 0.005 A 46 ASP HBx H 1 2.586 0.005 A 46 ASP HBy H 1 2.665 0.005 A 46 ASP CA C 13 57.179 0.02 A 46 ASP CB C 13 39.379 0.02 A 46 ASP N N 15 119.529 0.04 A 47 THR H H 1 7.534 0.005 A 47 THR HA H 1 3.879 0.005 A 47 THR HB H 1 3.9 0.005 A 47 THR HG2% H 1 1.139 0.005 A 47 THR CA C 13 65.594 0.02 A 47 THR CB C 13 68.531 0.02 A 47 THR CG2 C 13 22.042 0.02 A 47 THR N N 15 113.956 0.04 A 48 CYS H H 1 7.323 0.005 A 48 CYS HA H 1 5.48 0.005 A 48 CYS HBx H 1 2.646 0.005 A 48 CYS HBy H 1 3.13 0.005 A 48 CYS CA C 13 60.907 0.02 A 48 CYS CB C 13 31.371 0.02 A 48 CYS N N 15 126.311 0.04 A 49 LYS H H 1 6.787 0.005 A 49 LYS HA H 1 3.783 0.005 A 49 LYS HBx H 1 1.371 0.005 A 49 LYS HBy H 1 1.644 0.005 A 49 LYS HDx H 1 1.192 0.005 A 49 LYS HDy H 1 1.243 0.005 A 49 LYS HEx H 1 2.375 0.005 A 49 LYS HEy H 1 2.375 0.005 A 49 LYS HGx H 1 -0.483 0.005 A 49 LYS HGy H 1 0.988 0.005 A 49 LYS CA C 13 56.324 0.02 A 49 LYS CB C 13 32.496 0.02 A 49 LYS CD C 13 29.704 0.02 A 49 LYS CE C 13 42.167 0.02 A 49 LYS CG C 13 24.388 0.02 A 49 LYS N N 15 113.213 0.04 A 50 GLN H H 1 7.105 0.005 A 50 GLN HA H 1 4.146 0.005 A 50 GLN HBx H 1 2.085 0.005 A 50 GLN HBy H 1 2.085 0.005 A 50 GLN HE2x H 1 6.906 0.005 A 50 GLN HE2y H 1 7.499 0.005 A 50 GLN HGx H 1 2.483 0.005 A 50 GLN HGy H 1 2.787 0.005 A 50 GLN CA C 13 55.811 0.02 A 50 GLN CB C 13 29.768 0.02 A 50 GLN CG C 13 34.172 0.02 A 50 GLN N N 15 119.046 0.04 A 50 GLN NE2 N 15 110.871 0.04 A 51 THR H H 1 8.245 0.005 A 51 THR HA H 1 4.631 0.005 A 51 THR HB H 1 4.04 0.005 A 51 THR HG2% H 1 1.173 0.005 A 51 THR CA C 13 58.229 0.02 A 51 THR CB C 13 70.416 0.02 A 51 THR CG2 C 13 20.659 0.02 A 51 THR N N 15 113.422 0.04 A 52 PRO HA H 1 4.946 0.005 A 52 PRO HBx H 1 2.212 0.005 A 52 PRO HBy H 1 2.383 0.005 A 52 PRO HDx H 1 3.46 0.005 A 52 PRO HDy H 1 3.54 0.005 A 52 PRO HGx H 1 1.711 0.005 A 52 PRO HGy H 1 1.975 0.005 A 52 PRO CA C 13 63.409 0.02 A 52 PRO CB C 13 34.552 0.02 A 52 PRO CD C 13 49.275 0.02 A 52 PRO CG C 13 24.451 0.02 A 53 CYS H H 1 8.327 0.005 A 53 CYS HA H 1 4.138 0.005 A 53 CYS HBx H 1 2.791 0.005 A 53 CYS HBy H 1 3.232 0.005 A 53 CYS CA C 13 61.666 0.02 A 53 CYS CB C 13 29.895 0.02 A 53 CYS N N 15 120.227 0.04 A 54 GLY H H 1 8.171 0.005 A 54 GLY HAx H 1 3.631 0.005 A 54 GLY HAy H 1 4.489 0.005 A 54 GLY CA C 13 45.552 0.02 A 54 GLY N N 15 116.297 0.04 A 55 CYS H H 1 9.138 0.005 A 55 CYS HA H 1 3.607 0.005 A 55 CYS HBx H 1 2.881 0.005 A 55 CYS HBy H 1 2.881 0.005 A 55 CYS CA C 13 65.567 0.02 A 55 CYS CB C 13 29.84 0.02 A 55 CYS N N 15 124.255 0.04 A 56 GLY H H 1 8.666 0.005 A 56 GLY HAx H 1 3.707 0.005 A 56 GLY HAy H 1 3.859 0.005 A 56 GLY CA C 13 46.411 0.02 A 56 GLY N N 15 107.386 0.04 A 57 SER HA H 1 4.499 0.005 A 57 SER HBx H 1 3.918 0.005 A 57 SER HBy H 1 4.063 0.005 A 57 SER CA C 13 58.592 0.02 A 57 SER CB C 13 62.996 0.02 A 58 GLY H H 1 8.295 0.005 A 58 GLY HAx H 1 3.613 0.005 A 58 GLY HAy H 1 4.446 0.005 A 58 GLY CA C 13 45.53 0.02 A 58 GLY N N 15 111.771 0.04 A 59 CYS H H 1 7.794 0.005 A 59 CYS HA H 1 4.298 0.005 A 59 CYS HBx H 1 3.106 0.005 A 59 CYS HBy H 1 3.172 0.005 A 59 CYS CA C 13 61.079 0.02 A 59 CYS CB C 13 30.883 0.02 A 59 CYS N N 15 121.886 0.04 A 60 ASN H H 1 9.417 0.005 A 60 ASN HA H 1 5.346 0.005 A 60 ASN HBx H 1 2.527 0.005 A 60 ASN HBy H 1 3.143 0.005 A 60 ASN HD2x H 1 6.881 0.005 A 60 ASN HD2y H 1 7.511 0.005 A 60 ASN CA C 13 52.393 0.02 A 60 ASN CB C 13 39.879 0.02 A 60 ASN N N 15 130.258 0.04 A 60 ASN ND2 N 15 112.289 0.04 A 61 CYS H H 1 9.327 0.005 A 61 CYS HA H 1 4.416 0.005 A 61 CYS HBx H 1 2.904 0.005 A 61 CYS HBy H 1 3.591 0.005 A 61 CYS CA C 13 61.061 0.02 A 61 CYS CB C 13 29.707 0.02 A 61 CYS N N 15 122.129 0.04 A 62 LYS H H 1 8.465 0.005 A 62 LYS HA H 1 4.707 0.005 A 62 LYS HBx H 1 1.789 0.005 A 62 LYS HBy H 1 2.141 0.005 A 62 LYS HDx H 1 1.71 0.005 A 62 LYS HDy H 1 1.71 0.005 A 62 LYS HEx H 1 3.075 0.005 A 62 LYS HEy H 1 3.075 0.005 A 62 LYS HGx H 1 1.471 0.005 A 62 LYS HGy H 1 1.622 0.005 A 62 LYS CA C 13 54.009 0.02 A 62 LYS CB C 13 33.461 0.02 A 62 LYS CD C 13 28.219 0.02 A 62 LYS CE C 13 42.228 0.02 A 62 LYS CG C 13 24.874 0.02 A 62 LYS N N 15 120.226 0.04 A 63 GLU H H 1 8.506 0.005 A 63 GLU HA H 1 3.987 0.005 A 63 GLU HBx H 1 1.969 0.005 A 63 GLU HBy H 1 2.029 0.005 A 63 GLU HGx H 1 2.278 0.005 A 63 GLU HGy H 1 2.278 0.005 A 63 GLU CA C 13 58.945 0.02 A 63 GLU CB C 13 28.823 0.02 A 63 GLU CG C 13 36.418 0.02 A 63 GLU N N 15 116.574 0.04 A 64 ASP H H 1 7.526 0.005 A 64 ASP HA H 1 4.474 0.005 A 64 ASP HBx H 1 2.612 0.005 A 64 ASP HBy H 1 3.211 0.005 A 64 ASP CA C 13 52.6 0.02 A 64 ASP CB C 13 39.665 0.02 A 64 ASP N N 15 113.22 0.04 A 65 CYS H H 1 7.411 0.005 A 65 CYS HA H 1 3.664 0.005 A 65 CYS HBx H 1 2.936 0.005 A 65 CYS HBy H 1 3.408 0.005 A 65 CYS CA C 13 62.626 0.02 A 65 CYS CB C 13 31.201 0.02 A 65 CYS N N 15 123.425 0.04 A 66 ARG H H 1 8.122 0.005 A 66 ARG HA H 1 4.448 0.005 A 66 ARG HBx H 1 1.416 0.005 A 66 ARG HBy H 1 1.832 0.005 A 66 ARG HDx H 1 3.165 0.005 A 66 ARG HDy H 1 3.236 0.005 A 66 ARG HGx H 1 1.244 0.005 A 66 ARG HGy H 1 1.659 0.005 A 66 ARG CA C 13 54.649 0.02 A 66 ARG CB C 13 30.265 0.02 A 66 ARG CD C 13 43.632 0.02 A 66 ARG CG C 13 27.541 0.02 A 66 ARG N N 15 127.025 0.04 A 67 CYS H H 1 9.685 0.005 A 67 CYS HA H 1 4.406 0.005 A 67 CYS HBx H 1 2.711 0.005 A 67 CYS HBy H 1 3.39 0.005 A 67 CYS CA C 13 59.956 0.02 A 67 CYS CB C 13 30.946 0.02 A 67 CYS N N 15 129.079 0.04 A 68 GLN H H 1 9.572 0.005 A 68 GLN HA H 1 4.139 0.005 A 68 GLN HBx H 1 2.024 0.005 A 68 GLN HBy H 1 2.429 0.005 A 68 GLN HE2x H 1 6.64 0.005 A 68 GLN HE2y H 1 6.901 0.005 A 68 GLN HGx H 1 2.499 0.005 A 68 GLN HGy H 1 2.891 0.005 A 68 GLN CA C 13 55.557 0.02 A 68 GLN CB C 13 27.061 0.02 A 68 GLN CG C 13 33.905 0.02 A 68 GLN N N 15 129.503 0.04 A 68 GLN NE2 N 15 113.673 0.04 A 69 SER H H 1 9.303 0.005 A 69 SER HA H 1 4.62 0.005 A 69 SER HBx H 1 3.969 0.005 A 69 SER HBy H 1 4.004 0.005 A 69 SER CA C 13 61.151 0.02 A 69 SER CB C 13 63.291 0.02 A 69 SER N N 15 117.183 0.04 A 70 CYS H H 1 7.454 0.005 A 70 CYS HA H 1 5.174 0.005 A 70 CYS HBx H 1 3.226 0.005 A 70 CYS HBy H 1 3.513 0.005 A 70 CYS CA C 13 57.018 0.02 A 70 CYS CB C 13 32.832 0.02 A 70 CYS N N 15 112.923 0.04 A 71 SER H H 1 7.227 0.005 A 71 SER HA H 1 4.684 0.005 A 71 SER HBx H 1 3.718 0.005 A 71 SER HBy H 1 3.896 0.005 A 71 SER CA C 13 58.577 0.02 A 71 SER CB C 13 64.888 0.02 A 71 SER N N 15 118 0.04 A 72 THR H H 1 8.718 0.005 A 72 THR HA H 1 4.158 0.005 A 72 THR HB H 1 4.234 0.005 A 72 THR HG2% H 1 1.291 0.005 A 72 THR CA C 13 62.51 0.02 A 72 THR CB C 13 69.097 0.02 A 72 THR CG2 C 13 21.716 0.02 A 72 THR N N 15 117.16 0.04 A 73 ALA H H 1 8.122 0.005 A 73 ALA HA H 1 4.325 0.005 A 73 ALA HB% H 1 1.385 0.005 A 73 ALA CA C 13 52.015 0.02 A 73 ALA CB C 13 19.529 0.02 A 73 ALA N N 15 126.13 0.04 A 74 CYS H H 1 8.486 0.005 A 74 CYS HA H 1 3.838 0.005 A 74 CYS HBx H 1 2.261 0.005 A 74 CYS HBy H 1 3.048 0.005 A 74 CYS CA C 13 62.514 0.02 A 74 CYS CB C 13 31.993 0.02 A 74 CYS N N 15 123.288 0.04 A 75 LYS H H 1 9.656 0.005 A 75 LYS HA H 1 4.393 0.005 A 75 LYS HBx H 1 1.771 0.005 A 75 LYS HBy H 1 2.074 0.005 A 75 LYS HDx H 1 1.566 0.005 A 75 LYS HDy H 1 1.566 0.005 A 75 LYS HEx H 1 3.005 0.005 A 75 LYS HEy H 1 3.005 0.005 A 75 LYS HGx H 1 1.528 0.005 A 75 LYS HGy H 1 1.717 0.005 A 75 LYS CA C 13 56.42 0.02 A 75 LYS CB C 13 32.62 0.02 A 75 LYS CD C 13 28.84 0.02 A 75 LYS CE C 13 42.425 0.02 A 75 LYS CG C 13 25.426 0.02 A 75 LYS N N 15 128.039 0.04 A 76 CYS H H 1 9.312 0.005 A 76 CYS HA H 1 4.158 0.005 A 76 CYS HBx H 1 2.902 0.005 A 76 CYS HBy H 1 3.321 0.005 A 76 CYS CA C 13 62.516 0.02 A 76 CYS CB C 13 31.003 0.02 A 76 CYS N N 15 126.699 0.04 A 77 ALA H H 1 7.378 0.005 A 77 ALA HA H 1 4.652 0.005 A 77 ALA HB% H 1 1.406 0.005 A 77 ALA CA C 13 50.646 0.02 A 77 ALA CB C 13 22.193 0.02 A 77 ALA N N 15 119.945 0.04 A 78 ALA H H 1 8.403 0.005 A 78 ALA HA H 1 4.128 0.005 A 78 ALA HB% H 1 1.41 0.005 A 78 ALA CA C 13 53.791 0.02 A 78 ALA CB C 13 17.679 0.02 A 78 ALA N N 15 120.861 0.04 A 79 GLY H H 1 8.594 0.005 A 79 GLY HAx H 1 3.852 0.005 A 79 GLY HAy H 1 4.076 0.005 A 79 GLY CA C 13 45.744 0.02 A 79 GLY N N 15 109.144 0.04 A 80 SER H H 1 8.294 0.005 A 80 SER HA H 1 4.613 0.005 A 80 SER HBx H 1 3.532 0.005 A 80 SER HBy H 1 3.694 0.005 A 80 SER CA C 13 56.537 0.02 A 80 SER CB C 13 63.417 0.02 A 80 SER N N 15 115.773 0.04 A 81 CYS H H 1 8.688 0.005 A 81 CYS HA H 1 4.992 0.005 A 81 CYS HBx H 1 2.724 0.005 A 81 CYS HBy H 1 2.834 0.005 A 81 CYS CA C 13 59.237 0.02 A 81 CYS CB C 13 29.889 0.02 A 81 CYS N N 15 126.988 0.04 A 82 LYS H H 1 10.57 0.005 A 82 LYS HA H 1 4.503 0.005 A 82 LYS HBx H 1 1.872 0.005 A 82 LYS HBy H 1 1.95 0.005 A 82 LYS HDx H 1 1.655 0.005 A 82 LYS HDy H 1 1.655 0.005 A 82 LYS HEx H 1 3.004 0.005 A 82 LYS HEy H 1 3.004 0.005 A 82 LYS HGx H 1 1.538 0.005 A 82 LYS HGy H 1 1.645 0.005 A 82 LYS CA C 13 56.299 0.02 A 82 LYS CB C 13 33.053 0.02 A 82 LYS CD C 13 28.762 0.02 A 82 LYS CE C 13 41.974 0.02 A 82 LYS CG C 13 24.492 0.02 A 82 LYS N N 15 135.355 0.04 A 83 CYS H H 1 8.702 0.005 A 83 CYS HA H 1 4.833 0.005 A 83 CYS HBx H 1 2.551 0.005 A 83 CYS HBy H 1 3.361 0.005 A 83 CYS CA C 13 58.165 0.02 A 83 CYS CB C 13 36.484 0.02 A 83 CYS N N 15 119.785 0.04 A 84 GLY H H 1 8.622 0.005 A 84 GLY HAx H 1 3.862 0.005 A 84 GLY HAy H 1 4.34 0.005 A 84 GLY CA C 13 45.241 0.02 A 84 GLY N N 15 116.745 0.04 A 85 LYS H H 1 8.194 0.005 A 85 LYS HA H 1 4.451 0.005 A 85 LYS HBx H 1 1.942 0.005 A 85 LYS HBy H 1 2.037 0.005 A 85 LYS HDx H 1 1.681 0.005 A 85 LYS HDy H 1 1.681 0.005 A 85 LYS HEx H 1 3.085 0.005 A 85 LYS HEy H 1 3.085 0.005 A 85 LYS HGx H 1 1.461 0.005 A 85 LYS HGy H 1 1.793 0.005 A 85 LYS CA C 13 55.992 0.02 A 85 LYS CB C 13 31.569 0.02 A 85 LYS CD C 13 27.313 0.02 A 85 LYS CE C 13 42.03 0.02 A 85 LYS CG C 13 25.054 0.02 A 85 LYS N N 15 120.014 0.04 A 86 GLY H H 1 9.572 0.005 A 86 GLY HAx H 1 3.654 0.005 A 86 GLY HAy H 1 4.533 0.005 A 86 GLY CA C 13 44.677 0.02 A 86 GLY N N 15 113.863 0.04 A 87 CYS H H 1 7.619 0.005 A 87 CYS HA H 1 4.404 0.005 A 87 CYS HBx H 1 3.123 0.005 A 87 CYS HBy H 1 3.812 0.005 A 87 CYS CA C 13 54.296 0.02 A 87 CYS CB C 13 32.678 0.02 A 87 CYS N N 15 118.049 0.04 A 88 THR H H 1 8.489 0.005 A 88 THR HA H 1 4.164 0.005 A 88 THR HB H 1 4.502 0.005 A 88 THR HG2% H 1 1.016 0.005 A 88 THR CA C 13 59.401 0.02 A 88 THR CB C 13 67.996 0.02 A 88 THR CG2 C 13 20.743 0.02 A 88 THR N N 15 112.873 0.04 A 89 GLY H H 1 6.944 0.005 A 89 GLY HAx H 1 3.838 0.005 A 89 GLY HAy H 1 4.626 0.005 A 89 GLY CA C 13 44.601 0.02 A 89 GLY N N 15 110.237 0.04 A 90 PRO HA H 1 4.553 0.005 A 90 PRO HBx H 1 2.012 0.005 A 90 PRO HBy H 1 2.534 0.005 A 90 PRO HDx H 1 3.761 0.005 A 90 PRO HDy H 1 3.902 0.005 A 90 PRO HGx H 1 2.167 0.005 A 90 PRO HGy H 1 2.232 0.005 A 90 PRO CA C 13 65.388 0.02 A 90 PRO CB C 13 32.663 0.02 A 90 PRO CD C 13 49.453 0.02 A 90 PRO CG C 13 27.567 0.02 A 91 ASP H H 1 8.445 0.005 A 91 ASP HA H 1 4.479 0.005 A 91 ASP HBx H 1 2.607 0.005 A 91 ASP HBy H 1 2.72 0.005 A 91 ASP CA C 13 55.628 0.02 A 91 ASP CB C 13 40.088 0.02 A 91 ASP N N 15 113.047 0.04 A 92 SER H H 1 7.999 0.005 A 92 SER HA H 1 4.641 0.005 A 92 SER HBx H 1 3.655 0.005 A 92 SER HBy H 1 4.131 0.005 A 92 SER CA C 13 56.936 0.02 A 92 SER CB C 13 64.991 0.02 A 92 SER N N 15 110.649 0.04 A 93 CYS H H 1 7.211 0.005 A 93 CYS HA H 1 4.283 0.005 A 93 CYS HBx H 1 2.875 0.005 A 93 CYS HBy H 1 2.875 0.005 A 93 CYS CA C 13 62.619 0.02 A 93 CYS CB C 13 31.745 0.02 A 93 CYS N N 15 125.597 0.04 A 94 LYS H H 1 9.659 0.005 A 94 LYS HA H 1 4.75 0.005 A 94 LYS HBx H 1 1.705 0.005 A 94 LYS HBy H 1 2.192 0.005 A 94 LYS HDx H 1 1.689 0.005 A 94 LYS HDy H 1 1.744 0.005 A 94 LYS HEx H 1 2.982 0.005 A 94 LYS HEy H 1 2.982 0.005 A 94 LYS HGx H 1 1.457 0.005 A 94 LYS HGy H 1 1.457 0.005 A 94 LYS CA C 13 54.909 0.02 A 94 LYS CB C 13 33.028 0.02 A 94 LYS CD C 13 28.952 0.02 A 94 LYS CE C 13 42.25 0.02 A 94 LYS CG C 13 24.262 0.02 A 94 LYS N N 15 130.061 0.04 A 95 CYS H H 1 9.408 0.005 A 95 CYS HA H 1 4.199 0.005 A 95 CYS HBx H 1 2.512 0.005 A 95 CYS HBy H 1 3.174 0.005 A 95 CYS CA C 13 62.007 0.02 A 95 CYS CB C 13 31.787 0.02 A 95 CYS N N 15 125.223 0.04 A 96 ASP H H 1 8.289 0.005 A 96 ASP HA H 1 4.955 0.005 A 96 ASP HBx H 1 2.383 0.005 A 96 ASP HBy H 1 3.137 0.005 A 96 ASP CA C 13 52.074 0.02 A 96 ASP CB C 13 40.844 0.02 A 96 ASP N N 15 119.227 0.04 A 97 ARG H H 1 7.345 0.005 A 97 ARG HA H 1 3.96 0.005 A 97 ARG HBx H 1 2.033 0.005 A 97 ARG HBy H 1 2.033 0.005 A 97 ARG HDx H 1 3.216 0.005 A 97 ARG HDy H 1 3.258 0.005 A 97 ARG HGx H 1 1.658 0.005 A 97 ARG HGy H 1 2.204 0.005 A 97 ARG CA C 13 58.511 0.02 A 97 ARG CB C 13 30.021 0.02 A 97 ARG CD C 13 43.717 0.02 A 97 ARG CG C 13 27.572 0.02 A 97 ARG N N 15 111.868 0.04 A 98 SER H H 1 8.656 0.005 A 98 SER HA H 1 4.443 0.005 A 98 SER HBx H 1 3.789 0.005 A 98 SER HBy H 1 3.973 0.005 A 98 SER CA C 13 58.446 0.02 A 98 SER CB C 13 64.168 0.02 A 98 SER N N 15 114.399 0.04 A 99 CYS H H 1 7.227 0.005 A 99 CYS HA H 1 4.159 0.005 A 99 CYS HBx H 1 2.951 0.005 A 99 CYS HBy H 1 3.155 0.005 A 99 CYS CA C 13 61.314 0.02 A 99 CYS CB C 13 29.597 0.02 A 99 CYS N N 15 124.371 0.04 A 100 SER H H 1 8.461 0.005 A 100 SER HA H 1 4.433 0.005 A 100 SER HBx H 1 3.974 0.005 A 100 SER HBy H 1 4.093 0.005 A 100 SER CA C 13 60.29 0.02 A 100 SER CB C 13 62.761 0.02 A 100 SER N N 15 124.08 0.04 A 101 CYS H H 1 7.482 0.005 A 101 CYS HA H 1 4.795 0.005 A 101 CYS HBx H 1 3.073 0.005 A 101 CYS HBy H 1 4.471 0.005 A 101 CYS CA C 13 58.145 0.02 A 101 CYS CB C 13 33.989 0.02 A 101 CYS N N 15 118.311 0.04 A 102 LYS H H 1 7.103 0.005 A 102 LYS HA H 1 4.331 0.005 A 102 LYS HBx H 1 1.612 0.005 A 102 LYS HBy H 1 1.811 0.005 A 102 LYS HDx H 1 1.309 0.005 A 102 LYS HDy H 1 1.47 0.005 A 102 LYS HEx H 1 2.6 0.005 A 102 LYS HGx H 1 1.365 0.005 A 102 LYS HGy H 1 1.716 0.005 A 102 LYS CA C 13 55.848 0.02 A 102 LYS CB C 13 33.087 0.02 A 102 LYS CD C 13 29.299 0.02 A 102 LYS CE C 13 43.437 0.02 A 102 LYS CG C 13 23.887 0.02 A 102 LYS N N 15 125.761 0.04 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 9 ALA HA A 11 CYS H 1.0 . 5.26 2 2 A 42 ALA HA A 44 CYS H 1.0 . 5.44 3 3 A 43 GLY HAy A 62 LYS HBx 1.0 . 3.67 4 4 A 78 ALA HA A 88 THR HG2% 1.0 . 4.95 5 5 A 78 ALA HA A 77 ALA HA 1.0 . 4.89 6 6 A 78 ALA HA A 88 THR HB 1.0 . 4.27 7 7 A 20 CYS HA A 21 GLY HAx 1.0 . 5.11 8 8 A 21 GLY HAx A 24 THR HB 1.0 . 5.50 9 9 A 20 CYS HA A 17 GLN H 1.0 . 4.75 10 10 A 6 VAL HGy% A 35 CYS HA 1.0 . 4.48 11 11 A 6 VAL HGy% A 34 LYS HBy 1.0 . 4.96 12 12 A 6 VAL HGy% A 34 LYS HBx 1.0 . 4.07 13 13 A 6 VAL HGy% A 7 PHE H 1.0 . 4.54 14 14 A 82 LYS HDx A 82 LYS HEx 1.0 . 2.96 15 14 A 82 LYS HDy A 82 LYS HEx 1.0 . 2.96 16 14 A 82 LYS HEy A 82 LYS HDx 1.0 . 2.96 17 14 A 82 LYS HDy A 82 LYS HEy 1.0 . 2.96 18 15 A 98 SER HA A 97 ARG HBx 1.0 . 4.87 19 15 A 97 ARG HBy A 98 SER HA 1.0 . 4.87 20 16 A 74 CYS H A 90 PRO HGy 1.0 . 4.84 21 17 A 90 PRO HGy A 91 ASP H 1.0 . 5.39 22 18 A 24 THR HA A 25 SER HA 1.0 . 4.59 23 19 A 8 GLY HAy A 9 ALA HB% 1.0 . 5.36 24 20 A 20 CYS H A 23 ALA HB% 1.0 . 5.50 25 21 A 63 GLU H A 63 GLU HGx 1.0 . 4.26 26 21 A 63 GLU H A 63 GLU HGy 1.0 . 4.26 27 22 A 18 THR HA A 20 CYS HBx 1.0 . 5.50 28 23 A 51 THR HA A 53 CYS HBx 1.0 . 5.50 29 24 A 18 THR HA A 18 THR HG2% 1.0 . 3.41 30 25 A 51 THR HA A 51 THR HG2% 1.0 . 3.75 31 26 A 47 THR HG2% A 54 GLY HAy 1.0 . 3.78 32 27 A 47 THR HA A 50 GLN HGy 1.0 . 4.05 33 28 A 47 THR HA A 50 GLN HGx 1.0 . 4.05 34 29 A 47 THR HA A 50 GLN HBx 1.0 . 4.96 35 29 A 47 THR HA A 50 GLN HBy 1.0 . 4.96 36 30 A 101 CYS HA A 82 LYS HEx 1.0 . 5.02 37 30 A 82 LYS HEy A 101 CYS HA 1.0 . 5.02 38 31 A 47 THR HG2% A 47 THR HA 1.0 . 3.45 39 32 A 47 THR HG2% A 55 CYS HA 1.0 . 3.23 40 33 A 47 THR HG2% A 55 CYS HBx 1.0 . 4.31 41 33 A 47 THR HG2% A 55 CYS HBy 1.0 . 4.31 42 34 A 47 THR HG2% A 48 CYS HA 1.0 . 5.10 43 35 A 16 LYS HEy A 7 PHE HBx 1.0 . 4.30 44 35 A 7 PHE HBx A 16 LYS HEx 1.0 . 4.30 45 36 A 72 THR HB A 73 ALA H 1.0 . 4.28 46 37 A 62 LYS HBx A 43 GLY HAx 1.0 . 3.92 47 38 A 43 GLY HAx A 62 LYS HGy 1.0 . 3.89 48 39 A 41 GLY HAy A 42 ALA HB% 1.0 . 4.77 49 40 A 43 GLY HAx A 42 ALA HB% 1.0 . 4.73 50 41 A 43 GLY HAx A 62 LYS HGx 1.0 . 5.08 51 42 A 41 GLY HAy A 42 ALA H 1.0 . 3.08 52 43 A 48 CYS HA A 53 CYS HBy 1.0 . 4.96 53 44 A 49 LYS HEy A 49 LYS HBx 1.0 . 4.83 54 44 A 49 LYS HBx A 49 LYS HEx 1.0 . 4.83 55 45 A 13 ASP HA A 16 LYS HEx 1.0 . 4.56 56 45 A 16 LYS HEy A 13 ASP HA 1.0 . 4.56 57 46 A 46 ASP HA A 49 LYS HEx 1.0 . 4.82 58 46 A 49 LYS HEy A 46 ASP HA 1.0 . 4.82 59 47 A 49 LYS HA A 49 LYS HEx 1.0 . 4.84 60 47 A 49 LYS HEy A 49 LYS HA 1.0 . 4.84 61 48 A 16 LYS HEy A 7 PHE HBy 1.0 . 4.30 62 48 A 7 PHE HBy A 16 LYS HEx 1.0 . 4.30 63 49 A 15 CYS HBx A 16 LYS HEx 1.0 . 5.04 64 49 A 16 LYS HEy A 15 CYS HBx 1.0 . 5.04 65 50 A 15 CYS H A 16 LYS HEx 1.0 . 4.19 66 50 A 16 LYS HEy A 15 CYS H 1.0 . 4.19 67 51 A 94 LYS HA A 94 LYS HGx 1.0 . 3.78 68 51 A 94 LYS HA A 94 LYS HGy 1.0 . 3.78 69 52 A 94 LYS HEx A 94 LYS HGx 1.0 . 4.01 70 52 A 94 LYS HEy A 94 LYS HGx 1.0 . 4.01 71 52 A 94 LYS HGy A 94 LYS HEx 1.0 . 4.01 72 52 A 94 LYS HGy A 94 LYS HEy 1.0 . 4.01 73 53 A 39 LYS HEx A 39 LYS HGx 1.0 . 3.45 74 53 A 39 LYS HEy A 39 LYS HGx 1.0 . 3.45 75 53 A 39 LYS HGy A 39 LYS HEx 1.0 . 3.45 76 53 A 39 LYS HGy A 39 LYS HEy 1.0 . 3.45 77 54 A 93 CYS HA A 87 CYS HBx 1.0 . 3.88 78 55 A 97 ARG HBx A 97 ARG HDx 1.0 . 4.18 79 55 A 97 ARG HBy A 97 ARG HDx 1.0 . 4.18 80 56 A 85 LYS HBy A 85 LYS HEx 1.0 . 4.22 81 56 A 85 LYS HBy A 85 LYS HEy 1.0 . 4.22 82 57 A 62 LYS HDx A 62 LYS HEx 1.0 . 2.95 83 57 A 62 LYS HDy A 62 LYS HEx 1.0 . 2.95 84 57 A 62 LYS HEy A 62 LYS HDx 1.0 . 2.95 85 57 A 62 LYS HDy A 62 LYS HEy 1.0 . 2.95 86 58 A 85 LYS HGx A 85 LYS HEx 1.0 . 3.74 87 58 A 85 LYS HEy A 85 LYS HGx 1.0 . 3.74 88 59 A 34 LYS HBx A 7 PHE HA 1.0 . 5.03 89 60 A 88 THR HA A 76 CYS HBy 1.0 . 3.82 90 61 A 25 SER HBx A 14 VAL HGy% 1.0 . 4.90 91 62 A 14 VAL HA A 14 VAL HGy% 1.0 . 3.39 92 63 A 17 GLN HE2x A 14 VAL HGy% 1.0 . 5.07 93 64 A 55 CYS HA A 54 GLY HAx 1.0 . 4.97 94 65 A 20 CYS HBx A 21 GLY H 1.0 . 4.72 95 66 A 89 GLY HAy A 90 PRO HDy 1.0 . 3.81 96 67 A 71 SER HA A 72 THR HG2% 1.0 . 4.45 97 68 A 20 CYS HBy A 37 SER HBy 1.0 . 4.35 98 69 A 66 ARG HA A 96 ASP HBy 1.0 . 4.40 99 70 A 43 GLY HAx A 64 ASP HA 1.0 . 4.62 100 71 A 43 GLY HAy A 64 ASP HA 1.0 . 5.02 101 72 A 85 LYS HBx A 85 LYS HEx 1.0 . 5.38 102 72 A 85 LYS HEy A 85 LYS HBx 1.0 . 5.38 103 73 A 5 SER HA A 6 VAL HB 1.0 . 4.62 104 74 A 18 THR HG2% A 19 PRO HDy 1.0 . 5.47 105 75 A 51 THR HG2% A 52 PRO HDy 1.0 . 5.50 106 76 A 11 CYS HBy A 16 LYS HEx 1.0 . 3.91 107 76 A 16 LYS HEy A 11 CYS HBy 1.0 . 3.91 108 77 A 11 CYS HBy A 12 THR HA 1.0 . 4.83 109 78 A 15 CYS H A 11 CYS HBy 1.0 . 4.74 110 79 A 70 CYS HBx A 55 CYS HBx 1.0 . 3.10 111 79 A 55 CYS HBy A 70 CYS HBx 1.0 . 3.10 112 80 A 70 CYS HBy A 55 CYS HBx 1.0 . 2.65 113 80 A 55 CYS HBy A 70 CYS HBy 1.0 . 2.65 114 81 A 22 CYS H A 22 CYS HBy 1.0 . 3.79 115 82 A 49 LYS HEy A 49 LYS HBy 1.0 . 4.83 116 82 A 49 LYS HBy A 49 LYS HEx 1.0 . 4.83 117 83 A 15 CYS H A 16 LYS HBx 1.0 . 5.18 118 84 A 11 CYS HBx A 16 LYS HEx 1.0 . 3.24 119 84 A 16 LYS HEy A 11 CYS HBx 1.0 . 3.24 120 85 A 73 ALA H A 72 THR HG2% 1.0 . 4.55 121 86 A 18 THR HA A 19 PRO HBy 1.0 . 4.72 122 87 A 51 THR HA A 52 PRO HBy 1.0 . 4.79 123 88 A 14 VAL HA A 17 GLN HGy 1.0 . 3.69 124 89 A 11 CYS HA A 12 THR HG2% 1.0 . 4.49 125 90 A 34 LYS H A 35 CYS HBy 1.0 . 5.50 126 91 A 88 THR HG2% A 77 ALA HA 1.0 . 4.59 127 92 A 88 THR HG2% A 88 THR HA 1.0 . 3.29 128 93 A 88 THR HG2% A 81 CYS HBy 1.0 . 4.40 129 94 A 88 THR HG2% A 81 CYS HBx 1.0 . 4.40 130 95 A 17 GLN HBy A 21 GLY HAy 1.0 . 5.30 131 96 A 54 GLY HAx A 50 GLN HBx 1.0 . 5.50 132 96 A 50 GLN HBy A 54 GLY HAx 1.0 . 5.50 133 97 A 21 GLY H A 17 GLN HBy 1.0 . 4.57 134 98 A 17 GLN HBy A 18 THR H 1.0 . 3.11 135 99 A 18 THR HA A 19 PRO HBx 1.0 . 4.72 136 100 A 51 THR HA A 52 PRO HBx 1.0 . 5.06 137 101 A 53 CYS HBx A 52 PRO HBx 1.0 . 5.50 138 102 A 13 ASP HA A 16 LYS HBx 1.0 . 4.08 139 103 A 46 ASP HA A 45 THR HG2% 1.0 . 4.22 140 104 A 46 ASP HA A 49 LYS HDx 1.0 . 4.10 141 105 A 46 ASP HA A 49 LYS HDy 1.0 . 4.10 142 106 A 88 THR HG2% A 81 CYS HA 1.0 . 4.87 143 107 A 76 CYS HA A 75 LYS HDx 1.0 . 5.50 144 107 A 75 LYS HDy A 76 CYS HA 1.0 . 5.50 145 108 A 76 CYS HA A 77 ALA HB% 1.0 . 4.72 146 109 A 72 THR HG2% A 72 THR HA 1.0 . 3.64 147 110 A 81 CYS HA A 76 CYS HA 1.0 . 4.77 148 111 A 72 THR HG2% A 75 LYS HEx 1.0 . 5.43 149 111 A 72 THR HG2% A 75 LYS HEy 1.0 . 5.43 150 112 A 75 LYS HA A 75 LYS HEx 1.0 . 4.14 151 112 A 75 LYS HEy A 75 LYS HA 1.0 . 4.14 152 113 A 18 THR HG2% A 19 PRO HA 1.0 . 3.88 153 114 A 51 THR HG2% A 52 PRO HA 1.0 . 4.06 154 115 A 18 THR HG2% A 19 PRO HDx 1.0 . 5.47 155 116 A 51 THR HG2% A 52 PRO HDx 1.0 . 5.50 156 117 A 18 THR HG2% A 19 PRO HBy 1.0 . 5.16 157 118 A 51 THR HG2% A 52 PRO HBy 1.0 . 5.36 158 119 A 83 CYS HA A 100 SER HA 1.0 . 5.50 159 120 A 101 CYS HA A 100 SER HA 1.0 . 5.50 160 121 A 100 SER HA A 102 LYS H 1.0 . 4.64 161 122 A 89 GLY HAy A 90 PRO HGx 1.0 . 5.04 162 123 A 55 CYS HA A 59 CYS HA 1.0 . 4.26 163 124 A 59 CYS HA A 55 CYS HBx 1.0 . 3.10 164 124 A 55 CYS HBy A 59 CYS HA 1.0 . 3.10 165 125 A 88 THR HG2% A 87 CYS HA 1.0 . 4.76 166 126 A 87 CYS HA A 89 GLY H 1.0 . 5.11 167 127 A 74 CYS HA A 102 LYS HDy 1.0 . 5.19 168 128 A 74 CYS HA A 102 LYS HDx 1.0 . 5.19 169 129 A 74 CYS HA A 73 ALA HA 1.0 . 4.77 170 130 A 74 CYS HA A 102 LYS HA 1.0 . 5.33 171 131 A 39 LYS HA A 39 LYS HDx 1.0 . 4.50 172 132 A 39 LYS HA A 39 LYS HGx 1.0 . 3.59 173 132 A 39 LYS HGy A 39 LYS HA 1.0 . 3.59 174 133 A 53 CYS HBy A 53 CYS H 1.0 . 3.37 175 134 A 89 GLY HAy A 90 PRO HDx 1.0 . 3.81 176 135 A 22 CYS HBy A 27 CYS HA 1.0 . 3.47 177 136 A 66 ARG HA A 96 ASP HBx 1.0 . 4.40 178 137 A 88 THR HB A 78 ALA HB% 1.0 . 4.96 179 138 A 24 THR HB A 25 SER H 1.0 . 4.63 180 139 A 85 LYS H A 85 LYS HDx 1.0 . 4.67 181 139 A 85 LYS H A 85 LYS HDy 1.0 . 4.67 182 140 A 44 CYS HBy A 48 CYS HBy 1.0 . 3.94 183 141 A 63 GLU HA A 63 GLU HGx 1.0 . 3.65 184 141 A 63 GLU HGy A 63 GLU HA 1.0 . 3.65 185 142 A 24 THR HA A 23 ALA HB% 1.0 . 4.63 186 143 A 24 THR HA A 24 THR HG2% 1.0 . 3.62 187 144 A 69 SER H A 69 SER HBy 1.0 . 3.52 188 145 A 74 CYS H A 93 CYS HBx 1.0 . 5.50 189 145 A 74 CYS H A 93 CYS HBy 1.0 . 5.50 190 146 A 62 LYS HA A 62 LYS HDx 1.0 . 4.07 191 146 A 62 LYS HDy A 62 LYS HA 1.0 . 4.07 192 147 A 42 ALA HA A 62 LYS HDx 1.0 . 4.99 193 147 A 42 ALA HA A 62 LYS HDy 1.0 . 4.99 194 148 A 62 LYS HBy A 62 LYS HDx 1.0 . 3.71 195 148 A 62 LYS HDy A 62 LYS HBy 1.0 . 3.71 196 149 A 54 GLY HAx A 53 CYS HA 1.0 . 4.51 197 150 A 48 CYS HA A 53 CYS HA 1.0 . 4.69 198 151 A 23 ALA HA A 26 GLY HAx 1.0 . 5.22 199 152 A 17 GLN HA A 17 GLN HGx 1.0 . 3.23 200 153 A 14 VAL HA A 17 GLN HGx 1.0 . 3.97 201 154 A 42 ALA HA A 62 LYS HGy 1.0 . 4.95 202 155 A 43 GLY HAy A 62 LYS HGy 1.0 . 4.94 203 156 A 85 LYS H A 85 LYS HGy 1.0 . 4.91 204 157 A 66 ARG HA A 96 ASP HA 1.0 . 3.34 205 158 A 18 THR HA A 19 PRO HA 1.0 . 2.56 206 159 A 51 THR HA A 52 PRO HA 1.0 . 2.77 207 160 A 94 LYS HA A 93 CYS HA 1.0 . 4.81 208 161 A 90 PRO HGx A 73 ALA HB% 1.0 . 4.36 209 162 A 93 CYS HA A 87 CYS HBy 1.0 . 3.88 210 163 A 77 ALA HB% A 80 SER HBx 1.0 . 4.47 211 164 A 42 ALA HA A 62 LYS HGx 1.0 . 4.83 212 165 A 62 LYS HGx A 61 CYS HBy 1.0 . 4.81 213 166 A 70 CYS HA A 55 CYS HBx 1.0 . 4.64 214 166 A 55 CYS HBy A 70 CYS HA 1.0 . 4.64 215 167 A 23 ALA HA A 22 CYS HA 1.0 . 4.80 216 168 A 85 LYS HBy A 85 LYS H 1.0 . 4.20 217 169 A 63 GLU H A 65 CYS HBx 1.0 . 5.50 218 170 A 80 SER HA A 81 CYS H 1.0 . 3.52 219 171 A 14 VAL HGx% A 25 SER HBx 1.0 . 4.90 220 172 A 102 LYS HA A 102 LYS HDx 1.0 . 4.07 221 173 A 77 ALA H A 76 CYS HBx 1.0 . 4.07 222 174 A 20 CYS HA A 15 CYS HA 1.0 . 4.43 223 175 A 18 THR H A 17 GLN HBx 1.0 . 3.94 224 176 A 82 LYS HA A 82 LYS HDx 1.0 . 3.96 225 176 A 82 LYS HDy A 82 LYS HA 1.0 . 3.96 226 177 A 97 ARG HBy A 97 ARG HDy 1.0 . 4.18 227 177 A 97 ARG HDy A 97 ARG HBx 1.0 . 4.18 228 178 A 22 CYS HA A 24 THR H 1.0 . 4.88 229 179 A 48 CYS HA A 47 THR HB 1.0 . 4.50 230 180 A 72 THR HA A 73 ALA HB% 1.0 . 4.21 231 181 A 74 CYS HA A 73 ALA HB% 1.0 . 5.50 232 182 A 90 PRO HGy A 73 ALA HB% 1.0 . 3.45 233 183 A 62 LYS HA A 61 CYS HA 1.0 . 4.60 234 184 A 30 THR HA A 30 THR HG2% 1.0 . 3.60 235 185 A 21 GLY HAy A 24 THR HG2% 1.0 . 4.86 236 186 A 88 THR HB A 77 ALA HB% 1.0 . 4.92 237 187 A 5 SER HA A 6 VAL HGx% 1.0 . 4.55 238 188 A 8 GLY HAx A 32 ASP HA 1.0 . 4.80 239 189 A 88 THR HA A 76 CYS HBx 1.0 . 3.82 240 190 A 88 THR HA A 81 CYS HA 1.0 . 4.83 241 191 A 77 ALA HA A 88 THR HA 1.0 . 3.74 242 192 A 62 LYS HGx A 62 LYS HEx 1.0 . 4.00 243 192 A 62 LYS HGx A 62 LYS HEy 1.0 . 4.00 244 193 A 30 THR HG2% A 10 GLY HAx 1.0 . 3.90 245 193 A 30 THR HG2% A 10 GLY HAy 1.0 . 3.90 246 194 A 85 LYS HA A 85 LYS HDx 1.0 . 3.21 247 194 A 85 LYS HDy A 85 LYS HA 1.0 . 3.21 248 195 A 85 LYS HGx A 85 LYS HA 1.0 . 3.22 249 196 A 34 LYS HA A 34 LYS HEx 1.0 . 5.50 250 197 A 34 LYS HA A 34 LYS HEy 1.0 . 5.50 251 198 A 34 LYS HA A 34 LYS HGx 1.0 . 4.14 252 199 A 34 LYS HA A 34 LYS HGy 1.0 . 4.14 253 200 A 30 THR HA A 31 ASP HA 1.0 . 4.75 254 201 A 63 GLU H A 62 LYS HBy 1.0 . 3.04 255 202 A 47 THR HG2% A 54 GLY HAx 1.0 . 4.22 256 203 A 93 CYS HA A 92 SER HA 1.0 . 5.00 257 204 A 67 CYS HA A 68 GLN HGx 1.0 . 4.67 258 205 A 50 GLN HA A 50 GLN HBx 1.0 . 3.02 259 205 A 50 GLN HBy A 50 GLN HA 1.0 . 3.02 260 206 A 51 THR HA A 50 GLN HA 1.0 . 5.50 261 207 A 12 THR HA A 11 CYS HA 1.0 . 4.63 262 208 A 52 PRO HA A 51 THR HB 1.0 . 4.87 263 209 A 35 CYS HA A 6 VAL HGx% 1.0 . 5.46 264 210 A 35 CYS HBy A 6 VAL HGx% 1.0 . 5.50 265 211 A 12 THR HG2% A 28 ASN HBy 1.0 . 3.56 266 212 A 45 THR HG2% A 60 ASN HBy 1.0 . 3.93 267 213 A 18 THR HG2% A 19 PRO HBx 1.0 . 5.16 268 214 A 51 THR HG2% A 52 PRO HBx 1.0 . 5.45 269 215 A 102 LYS HA A 102 LYS HDy 1.0 . 4.07 270 216 A 39 LYS HA A 39 LYS HDy 1.0 . 4.50 271 217 A 77 ALA HB% A 80 SER HBy 1.0 . 4.47 272 218 A 73 ALA HA A 74 CYS HBy 1.0 . 5.50 273 219 A 73 ALA HA A 74 CYS HBx 1.0 . 5.32 274 220 A 90 PRO HGx A 73 ALA HA 1.0 . 5.50 275 221 A 12 THR HG2% A 29 CYS HA 1.0 . 3.52 276 222 A 12 THR HA A 12 THR HG2% 1.0 . 2.95 277 223 A 12 THR HG2% A 10 GLY HAx 1.0 . 5.50 278 223 A 12 THR HG2% A 10 GLY HAy 1.0 . 5.50 279 224 A 13 ASP HA A 12 THR HG2% 1.0 . 5.50 280 225 A 45 THR HG2% A 48 CYS HBx 1.0 . 4.02 281 226 A 45 THR HG2% A 44 CYS HBy 1.0 . 5.50 282 227 A 45 THR HG2% A 60 ASN HBx 1.0 . 3.93 283 228 A 12 THR HG2% A 28 ASN HBx 1.0 . 3.56 284 229 A 48 CYS HA A 45 THR HG2% 1.0 . 4.48 285 230 A 12 THR HG2% A 28 ASN HA 1.0 . 4.76 286 231 A 45 THR HG2% A 60 ASN HA 1.0 . 5.13 287 232 A 17 GLN HGy A 17 GLN HA 1.0 . 4.03 288 233 A 90 PRO HGx A 89 GLY HAx 1.0 . 4.59 289 234 A 89 GLY HAx A 90 PRO HA 1.0 . 4.46 290 235 A 20 CYS HBy A 37 SER HBx 1.0 . 4.35 291 236 A 90 PRO HA A 93 CYS HBx 1.0 . 3.40 292 236 A 93 CYS HBy A 90 PRO HA 1.0 . 3.40 293 237 A 74 CYS HBx A 90 PRO HA 1.0 . 3.71 294 238 A 34 LYS HBx A 6 VAL HA 1.0 . 4.19 295 239 A 6 VAL HGy% A 6 VAL HA 1.0 . 3.38 296 240 A 43 GLY HAy A 62 LYS HBy 1.0 . 5.18 297 241 A 43 GLY HAy A 42 ALA HB% 1.0 . 4.51 298 242 A 74 CYS HBx A 93 CYS HBx 1.0 . 4.04 299 242 A 93 CYS HBy A 74 CYS HBx 1.0 . 4.04 300 243 A 62 LYS HGy A 61 CYS HA 1.0 . 5.31 301 244 A 62 LYS HGx A 61 CYS HA 1.0 . 4.68 302 245 A 45 THR HG2% A 61 CYS HA 1.0 . 4.03 303 246 A 63 GLU H A 63 GLU HBy 1.0 . 3.80 304 247 A 75 LYS HA A 74 CYS HA 1.0 . 5.02 305 248 A 75 LYS HA A 75 LYS HDx 1.0 . 3.13 306 248 A 75 LYS HDy A 75 LYS HA 1.0 . 3.13 307 249 A 14 VAL HGy% A 25 SER HBy 1.0 . 4.90 308 250 A 14 VAL HGx% A 25 SER HBy 1.0 . 4.90 309 251 A 14 VAL HA A 14 VAL HGx% 1.0 . 3.39 310 252 A 14 VAL H A 14 VAL HGx% 1.0 . 4.41 311 253 A 25 SER HA A 24 THR H 1.0 . 4.95 312 254 A 21 GLY HAy A 24 THR H 1.0 . 4.44 313 255 A 24 THR HB A 24 THR H 1.0 . 3.45 314 256 A 21 GLY HAx A 24 THR H 1.0 . 3.69 315 257 A 24 THR H A 22 CYS HBx 1.0 . 5.50 316 258 A 22 CYS HBy A 24 THR H 1.0 . 5.50 317 259 A 23 ALA HB% A 24 THR H 1.0 . 3.21 318 260 A 24 THR HG2% A 24 THR H 1.0 . 3.35 319 261 A 24 THR H A 23 ALA H 1.0 . 3.25 320 262 A 25 SER H A 24 THR H 1.0 . 2.99 321 263 A 73 ALA H A 73 ALA HA 1.0 . 2.91 322 264 A 73 ALA H A 72 THR HA 1.0 . 2.51 323 265 A 90 PRO HGy A 73 ALA H 1.0 . 5.50 324 266 A 73 ALA H A 73 ALA HB% 1.0 . 2.62 325 267 A 73 ALA H A 72 THR H 1.0 . 4.67 326 268 A 74 CYS H A 73 ALA H 1.0 . 4.43 327 269 A 91 ASP H A 89 GLY HAy 1.0 . 3.65 328 270 A 91 ASP H A 91 ASP HA 1.0 . 2.92 329 271 A 91 ASP H A 90 PRO HDy 1.0 . 3.98 330 272 A 91 ASP H A 90 PRO HDx 1.0 . 3.98 331 273 A 91 ASP H A 93 CYS HBx 1.0 . 5.16 332 273 A 91 ASP H A 93 CYS HBy 1.0 . 5.16 333 274 A 91 ASP H A 91 ASP HBy 1.0 . 3.59 334 275 A 91 ASP H A 91 ASP HBx 1.0 . 3.59 335 276 A 91 ASP H A 90 PRO HGx 1.0 . 3.78 336 277 A 20 CYS HA A 22 CYS H 1.0 . 3.85 337 278 A 22 CYS H A 23 ALA HA 1.0 . 5.49 338 279 A 20 CYS HBy A 22 CYS H 1.0 . 4.98 339 280 A 22 CYS H A 22 CYS HBx 1.0 . 3.00 340 281 A 22 CYS H A 17 GLN HBx 1.0 . 4.96 341 282 A 23 ALA HB% A 22 CYS H 1.0 . 4.41 342 283 A 20 CYS H A 22 CYS H 1.0 . 5.50 343 284 A 22 CYS H A 24 THR H 1.0 . 4.68 344 285 A 22 CYS H A 15 CYS HA 1.0 . 3.97 345 286 A 22 CYS H A 27 CYS HA 1.0 . 5.50 346 287 A 11 CYS HA A 9 ALA H 1.0 . 5.45 347 288 A 8 GLY HAy A 9 ALA H 1.0 . 3.22 348 289 A 9 ALA H A 32 ASP HBy 1.0 . 4.51 349 290 A 9 ALA H A 32 ASP HBx 1.0 . 4.51 350 291 A 9 ALA HB% A 9 ALA H 1.0 . 2.76 351 292 A 9 ALA H A 10 GLY H 1.0 . 3.43 352 293 A 9 ALA H A 8 GLY H 1.0 . 4.37 353 294 A 11 CYS HA A 12 THR H 1.0 . 2.89 354 295 A 46 ASP HA A 45 THR H 1.0 . 5.17 355 296 A 11 CYS HBy A 12 THR H 1.0 . 2.93 356 297 A 15 CYS HBx A 12 THR H 1.0 . 3.66 357 298 A 12 THR H A 16 LYS HEx 1.0 . 4.50 358 298 A 16 LYS HEy A 12 THR H 1.0 . 4.50 359 299 A 45 THR HG2% A 45 THR H 1.0 . 2.67 360 300 A 12 THR H A 13 ASP H 1.0 . 4.98 361 301 A 12 THR H A 29 CYS H 1.0 . 5.40 362 302 A 15 CYS H A 12 THR H 1.0 . 3.96 363 303 A 43 GLY HAy A 42 ALA H 1.0 . 4.51 364 304 A 42 ALA HB% A 42 ALA H 1.0 . 2.62 365 305 A 54 GLY HAx A 55 CYS H 1.0 . 3.48 366 306 A 59 CYS HA A 55 CYS H 1.0 . 5.04 367 307 A 53 CYS HA A 55 CYS H 1.0 . 3.91 368 308 A 47 THR HA A 55 CYS H 1.0 . 5.50 369 309 A 47 THR HB A 55 CYS H 1.0 . 5.50 370 310 A 55 CYS HA A 55 CYS H 1.0 . 2.92 371 311 A 70 CYS HBx A 55 CYS H 1.0 . 5.16 372 312 A 53 CYS HBy A 55 CYS H 1.0 . 3.98 373 313 A 70 CYS HBy A 55 CYS H 1.0 . 4.42 374 314 A 55 CYS H A 55 CYS HBx 1.0 . 2.84 375 314 A 55 CYS HBy A 55 CYS H 1.0 . 2.84 376 315 A 55 CYS H A 50 GLN HBx 1.0 . 4.89 377 315 A 50 GLN HBy A 55 CYS H 1.0 . 4.89 378 316 A 47 THR HG2% A 55 CYS H 1.0 . 3.32 379 317 A 55 CYS H A 56 GLY H 1.0 . 3.59 380 318 A 53 CYS H A 55 CYS H 1.0 . 5.50 381 319 A 55 CYS H A 54 GLY H 1.0 . 3.06 382 320 A 48 CYS HA A 55 CYS H 1.0 . 3.77 383 321 A 23 ALA HA A 26 GLY H 1.0 . 4.39 384 322 A 22 CYS HA A 26 GLY H 1.0 . 3.33 385 323 A 26 GLY H A 27 CYS HBx 1.0 . 5.50 386 324 A 22 CYS HBy A 26 GLY H 1.0 . 4.74 387 325 A 23 ALA HB% A 26 GLY H 1.0 . 5.21 388 326 A 24 THR HG2% A 26 GLY H 1.0 . 5.25 389 327 A 24 THR H A 26 GLY H 1.0 . 4.06 390 328 A 59 CYS HA A 60 ASN H 1.0 . 2.97 391 329 A 60 ASN H A 60 ASN HBy 1.0 . 3.89 392 330 A 60 ASN H A 55 CYS HBx 1.0 . 4.21 393 330 A 55 CYS HBy A 60 ASN H 1.0 . 4.21 394 331 A 60 ASN H A 60 ASN HBx 1.0 . 3.89 395 332 A 45 THR HG2% A 60 ASN H 1.0 . 3.98 396 333 A 31 ASP HA A 33 CYS H 1.0 . 3.88 397 334 A 8 GLY HAx A 33 CYS H 1.0 . 5.50 398 335 A 8 GLY HAy A 33 CYS H 1.0 . 5.30 399 336 A 33 CYS H A 33 CYS HBx 1.0 . 3.03 400 337 A 33 CYS H A 32 ASP HBy 1.0 . 4.24 401 338 A 33 CYS H A 33 CYS HBy 1.0 . 2.99 402 339 A 33 CYS H A 32 ASP HBx 1.0 . 4.24 403 340 A 33 CYS H A 30 THR H 1.0 . 4.60 404 341 A 33 CYS H A 31 ASP H 1.0 . 5.50 405 342 A 34 LYS H A 33 CYS H 1.0 . 4.70 406 343 A 33 CYS H A 32 ASP H 1.0 . 3.22 407 344 A 93 CYS HA A 94 LYS H 1.0 . 2.82 408 345 A 94 LYS H A 94 LYS HEx 1.0 . 4.52 409 345 A 94 LYS HEy A 94 LYS H 1.0 . 4.52 410 346 A 94 LYS H A 93 CYS HBx 1.0 . 3.97 411 346 A 93 CYS HBy A 94 LYS H 1.0 . 3.97 412 347 A 94 LYS H A 94 LYS HGx 1.0 . 3.33 413 347 A 94 LYS HGy A 94 LYS H 1.0 . 3.33 414 348 A 94 LYS H A 93 CYS H 1.0 . 4.70 415 349 A 84 GLY H A 83 CYS HBy 1.0 . 4.62 416 350 A 84 GLY H A 81 CYS HBy 1.0 . 5.50 417 351 A 84 GLY H A 81 CYS HBx 1.0 . 5.50 418 352 A 84 GLY H A 83 CYS HBx 1.0 . 4.62 419 353 A 85 LYS HBx A 84 GLY H 1.0 . 4.93 420 354 A 84 GLY H A 85 LYS HDx 1.0 . 5.50 421 354 A 85 LYS HDy A 84 GLY H 1.0 . 5.50 422 355 A 85 LYS HGx A 84 GLY H 1.0 . 4.71 423 356 A 85 LYS H A 84 GLY H 1.0 . 3.06 424 357 A 81 CYS HA A 84 GLY H 1.0 . 5.48 425 358 A 84 GLY H A 86 GLY H 1.0 . 3.82 426 359 A 61 CYS HA A 46 ASP H 1.0 . 5.50 427 360 A 46 ASP H A 45 THR HA 1.0 . 2.99 428 361 A 47 THR HA A 46 ASP H 1.0 . 5.50 429 362 A 47 THR HB A 46 ASP H 1.0 . 5.50 430 363 A 45 THR HG2% A 46 ASP H 1.0 . 3.74 431 364 A 45 THR H A 46 ASP H 1.0 . 4.63 432 365 A 20 CYS HA A 21 GLY H 1.0 . 2.63 433 366 A 21 GLY H A 20 CYS HBy 1.0 . 4.18 434 367 A 21 GLY H A 17 GLN HGy 1.0 . 4.03 435 368 A 21 GLY H A 22 CYS HBx 1.0 . 5.32 436 369 A 21 GLY H A 17 GLN HGx 1.0 . 5.50 437 370 A 21 GLY H A 17 GLN HBx 1.0 . 3.09 438 371 A 21 GLY H A 15 CYS HA 1.0 . 4.27 439 372 A 21 GLY H A 22 CYS H 1.0 . 3.09 440 373 A 59 CYS H A 59 CYS HBx 1.0 . 3.02 441 374 A 59 CYS H A 59 CYS HBy 1.0 . 3.02 442 375 A 59 CYS H A 55 CYS HBx 1.0 . 3.99 443 375 A 55 CYS HBy A 59 CYS H 1.0 . 3.99 444 376 A 60 ASN H A 59 CYS H 1.0 . 4.63 445 377 A 96 ASP HA A 98 SER H 1.0 . 4.46 446 378 A 98 SER H A 99 CYS HA 1.0 . 4.52 447 379 A 98 SER H A 98 SER HBy 1.0 . 4.04 448 380 A 98 SER H A 98 SER HBx 1.0 . 4.04 449 381 A 98 SER H A 97 ARG HBx 1.0 . 4.08 450 381 A 97 ARG HBy A 98 SER H 1.0 . 4.08 451 382 A 98 SER H A 97 ARG H 1.0 . 3.32 452 383 A 98 SER H A 99 CYS H 1.0 . 3.04 453 384 A 71 SER HA A 72 THR H 1.0 . 2.83 454 385 A 72 THR HB A 72 THR H 1.0 . 2.93 455 386 A 72 THR H A 97 ARG HDx 1.0 . 5.50 456 387 A 72 THR H A 97 ARG HDy 1.0 . 5.50 457 388 A 72 THR H A 97 ARG HBx 1.0 . 5.50 458 388 A 97 ARG HBy A 72 THR H 1.0 . 5.50 459 389 A 72 THR HG2% A 72 THR H 1.0 . 3.09 460 390 A 72 THR H A 71 SER H 1.0 . 4.72 461 391 A 54 GLY HAx A 50 GLN HE2y 1.0 . 5.37 462 392 A 50 GLN HA A 50 GLN HE2y 1.0 . 5.50 463 393 A 47 THR HA A 50 GLN HE2y 1.0 . 4.37 464 394 A 50 GLN HE2y A 50 GLN HBx 1.0 . 4.36 465 394 A 50 GLN HBy A 50 GLN HE2y 1.0 . 4.36 466 395 A 47 THR HG2% A 50 GLN HE2y 1.0 . 4.70 467 396 A 32 ASP H A 30 THR HB 1.0 . 3.50 468 397 A 31 ASP HA A 32 ASP H 1.0 . 3.55 469 398 A 8 GLY HAx A 32 ASP H 1.0 . 5.50 470 399 A 32 ASP H A 33 CYS HA 1.0 . 5.21 471 400 A 33 CYS HBx A 32 ASP H 1.0 . 5.02 472 401 A 32 ASP H A 32 ASP HBy 1.0 . 3.75 473 402 A 32 ASP H A 31 ASP HBx 1.0 . 4.99 474 403 A 32 ASP H A 31 ASP HBy 1.0 . 4.99 475 404 A 32 ASP H A 32 ASP HBx 1.0 . 3.75 476 405 A 30 THR HG2% A 32 ASP H 1.0 . 4.26 477 406 A 9 ALA H A 32 ASP H 1.0 . 5.50 478 407 A 31 ASP H A 32 ASP H 1.0 . 3.56 479 408 A 81 CYS HA A 88 THR H 1.0 . 5.31 480 409 A 88 THR H A 87 CYS HBy 1.0 . 4.10 481 410 A 88 THR H A 86 GLY HAx 1.0 . 4.09 482 411 A 88 THR H A 76 CYS HBy 1.0 . 4.43 483 412 A 88 THR H A 87 CYS HBx 1.0 . 4.10 484 413 A 88 THR H A 76 CYS HBx 1.0 . 4.43 485 414 A 88 THR HG2% A 88 THR H 1.0 . 3.51 486 415 A 20 CYS H A 19 PRO HA 1.0 . 2.89 487 416 A 20 CYS H A 18 THR HA 1.0 . 3.81 488 417 A 20 CYS H A 20 CYS HBy 1.0 . 3.27 489 418 A 20 CYS H A 20 CYS HBx 1.0 . 2.88 490 419 A 20 CYS H A 19 PRO HBy 1.0 . 3.43 491 420 A 20 CYS H A 19 PRO HBx 1.0 . 3.43 492 421 A 20 CYS H A 18 THR HG2% 1.0 . 4.63 493 422 A 20 CYS H A 21 GLY H 1.0 . 4.55 494 423 A 13 ASP HA A 16 LYS H 1.0 . 3.75 495 424 A 14 VAL HA A 16 LYS H 1.0 . 4.43 496 425 A 16 LYS H A 15 CYS HBy 1.0 . 3.34 497 426 A 17 GLN HGy A 16 LYS H 1.0 . 4.38 498 427 A 15 CYS HBx A 16 LYS H 1.0 . 4.18 499 428 A 16 LYS H A 16 LYS HEx 1.0 . 4.29 500 428 A 16 LYS HEy A 16 LYS H 1.0 . 4.29 501 429 A 17 GLN HBx A 16 LYS H 1.0 . 4.75 502 430 A 16 LYS HBx A 16 LYS H 1.0 . 3.33 503 431 A 16 LYS H A 16 LYS HBy 1.0 . 3.77 504 432 A 16 LYS H A 16 LYS HGy 1.0 . 3.64 505 433 A 16 LYS H A 16 LYS HGx 1.0 . 3.64 506 434 A 15 CYS H A 16 LYS H 1.0 . 3.22 507 435 A 17 GLN H A 16 LYS H 1.0 . 3.20 508 436 A 57 SER HA A 58 GLY H 1.0 . 3.23 509 437 A 59 CYS HA A 58 GLY H 1.0 . 4.60 510 438 A 70 CYS HBx A 58 GLY H 1.0 . 5.50 511 439 A 58 GLY H A 59 CYS HBx 1.0 . 5.48 512 440 A 58 GLY H A 59 CYS HBy 1.0 . 5.48 513 441 A 58 GLY H A 55 CYS HBx 1.0 . 4.43 514 441 A 55 CYS HBy A 58 GLY H 1.0 . 4.43 515 442 A 59 CYS H A 58 GLY H 1.0 . 3.50 516 443 A 56 GLY H A 58 GLY H 1.0 . 4.36 517 444 A 77 ALA HA A 78 ALA H 1.0 . 2.68 518 445 A 88 THR HB A 78 ALA H 1.0 . 3.46 519 446 A 77 ALA HB% A 78 ALA H 1.0 . 3.18 520 447 A 78 ALA HB% A 78 ALA H 1.0 . 3.40 521 448 A 88 THR HG2% A 78 ALA H 1.0 . 4.62 522 449 A 77 ALA H A 78 ALA H 1.0 . 4.23 523 450 A 69 SER HA A 70 CYS H 1.0 . 3.53 524 451 A 67 CYS HA A 70 CYS H 1.0 . 5.50 525 452 A 70 CYS H A 68 GLN HA 1.0 . 4.28 526 453 A 70 CYS H A 69 SER HBx 1.0 . 4.17 527 454 A 70 CYS H A 69 SER HBy 1.0 . 4.17 528 455 A 70 CYS HBx A 70 CYS H 1.0 . 3.86 529 456 A 70 CYS H A 67 CYS HBy 1.0 . 3.99 530 457 A 70 CYS HBy A 70 CYS H 1.0 . 3.55 531 458 A 70 CYS H A 55 CYS HBx 1.0 . 5.08 532 458 A 55 CYS HBy A 70 CYS H 1.0 . 5.08 533 459 A 70 CYS H A 67 CYS HBx 1.0 . 5.02 534 460 A 71 SER H A 70 CYS H 1.0 . 2.79 535 461 A 70 CYS H A 68 GLN H 1.0 . 4.66 536 462 A 69 SER H A 70 CYS H 1.0 . 2.89 537 463 A 45 THR HA A 48 CYS H 1.0 . 5.38 538 464 A 46 ASP HA A 48 CYS H 1.0 . 4.46 539 465 A 47 THR HB A 48 CYS H 1.0 . 3.91 540 466 A 48 CYS HBx A 48 CYS H 1.0 . 3.15 541 467 A 48 CYS HBy A 48 CYS H 1.0 . 2.98 542 468 A 45 THR HG2% A 48 CYS H 1.0 . 3.67 543 469 A 47 THR HG2% A 48 CYS H 1.0 . 4.40 544 470 A 48 CYS H A 50 GLN HE2x 1.0 . 5.46 545 471 A 48 CYS H A 49 LYS H 1.0 . 3.18 546 472 A 46 ASP H A 48 CYS H 1.0 . 5.00 547 473 A 48 CYS H A 47 THR H 1.0 . 3.22 548 474 A 12 THR HG2% A 28 ASN HD2x 1.0 . 4.87 549 475 A 12 THR H A 28 ASN HD2x 1.0 . 5.50 550 476 A 28 ASN HA A 28 ASN HD2x 1.0 . 4.81 551 477 A 94 LYS HA A 95 CYS H 1.0 . 3.41 552 478 A 95 CYS H A 95 CYS HBy 1.0 . 3.90 553 479 A 95 CYS H A 93 CYS HBx 1.0 . 3.89 554 479 A 93 CYS HBy A 95 CYS H 1.0 . 3.89 555 480 A 95 CYS H A 95 CYS HBx 1.0 . 3.90 556 481 A 95 CYS H A 94 LYS HBy 1.0 . 4.60 557 482 A 95 CYS H A 94 LYS HBx 1.0 . 4.60 558 483 A 95 CYS H A 94 LYS HGx 1.0 . 4.64 559 483 A 94 LYS HGy A 95 CYS H 1.0 . 4.64 560 484 A 95 CYS H A 96 ASP H 1.0 . 4.76 561 485 A 95 CYS H A 68 GLN HE2x 1.0 . 5.30 562 486 A 94 LYS H A 95 CYS H 1.0 . 2.89 563 487 A 36 GLN HA A 38 CYS H 1.0 . 5.00 564 488 A 39 LYS HA A 38 CYS H 1.0 . 5.50 565 489 A 38 CYS H A 38 CYS HBy 1.0 . 3.86 566 490 A 38 CYS H A 38 CYS HBx 1.0 . 3.86 567 491 A 22 CYS HBx A 38 CYS H 1.0 . 5.50 568 492 A 38 CYS H A 39 LYS HEx 1.0 . 5.50 569 492 A 39 LYS HEy A 38 CYS H 1.0 . 5.50 570 493 A 35 CYS HBy A 38 CYS H 1.0 . 3.72 571 494 A 38 CYS H A 39 LYS HGx 1.0 . 5.33 572 494 A 39 LYS HGy A 38 CYS H 1.0 . 5.33 573 495 A 38 CYS H A 40 TYR H 1.0 . 4.88 574 496 A 38 CYS H A 35 CYS H 1.0 . 5.50 575 497 A 26 GLY HAx A 27 CYS H 1.0 . 2.80 576 498 A 99 CYS HA A 100 SER H 1.0 . 2.80 577 499 A 22 CYS HA A 27 CYS H 1.0 . 4.48 578 500 A 27 CYS H A 26 GLY HAy 1.0 . 3.54 579 501 A 27 CYS HBx A 27 CYS H 1.0 . 2.92 580 502 A 27 CYS H A 27 CYS HBy 1.0 . 3.11 581 503 A 26 GLY H A 27 CYS H 1.0 . 3.99 582 504 A 100 SER H A 101 CYS H 1.0 . 3.13 583 505 A 27 CYS H A 28 ASN H 1.0 . 5.00 584 506 A 36 GLN H A 37 SER HA 1.0 . 5.31 585 507 A 35 CYS HA A 36 GLN H 1.0 . 2.71 586 508 A 36 GLN H A 35 CYS HBx 1.0 . 4.53 587 509 A 35 CYS HBy A 36 GLN H 1.0 . 4.26 588 510 A 36 GLN H A 36 GLN HGy 1.0 . 3.78 589 511 A 36 GLN H A 36 GLN HGx 1.0 . 3.78 590 512 A 36 GLN H A 36 GLN HBy 1.0 . 3.81 591 513 A 36 GLN H A 36 GLN HBx 1.0 . 3.81 592 514 A 6 VAL HGy% A 36 GLN H 1.0 . 5.50 593 515 A 38 CYS H A 36 GLN H 1.0 . 4.90 594 516 A 35 CYS H A 36 GLN H 1.0 . 5.39 595 517 A 77 ALA HA A 79 GLY H 1.0 . 4.21 596 518 A 88 THR HB A 79 GLY H 1.0 . 3.84 597 519 A 78 ALA HA A 79 GLY H 1.0 . 3.25 598 520 A 78 ALA HB% A 79 GLY H 1.0 . 3.83 599 521 A 88 THR HG2% A 79 GLY H 1.0 . 3.90 600 522 A 78 ALA H A 79 GLY H 1.0 . 4.39 601 523 A 96 ASP HA A 67 CYS H 1.0 . 5.11 602 524 A 66 ARG HA A 67 CYS H 1.0 . 3.51 603 525 A 67 CYS H A 65 CYS HA 1.0 . 4.39 604 526 A 67 CYS HBy A 67 CYS H 1.0 . 2.98 605 527 A 67 CYS H A 65 CYS HBy 1.0 . 5.32 606 528 A 67 CYS HBx A 67 CYS H 1.0 . 3.11 607 529 A 67 CYS H A 66 ARG HBy 1.0 . 4.55 608 530 A 67 CYS H A 66 ARG HBx 1.0 . 4.55 609 531 A 67 CYS H A 66 ARG H 1.0 . 3.24 610 532 A 71 SER H A 67 CYS H 1.0 . 5.50 611 533 A 11 CYS HA A 10 GLY H 1.0 . 4.85 612 534 A 10 GLY H A 10 GLY HAx 1.0 . 2.79 613 534 A 10 GLY HAy A 10 GLY H 1.0 . 2.79 614 535 A 8 GLY HAy A 10 GLY H 1.0 . 4.06 615 536 A 11 CYS HBx A 10 GLY H 1.0 . 5.50 616 537 A 9 ALA HB% A 10 GLY H 1.0 . 3.46 617 538 A 30 THR HG2% A 10 GLY H 1.0 . 4.12 618 539 A 99 CYS H A 97 ARG HA 1.0 . 4.18 619 540 A 99 CYS H A 98 SER HBy 1.0 . 4.76 620 541 A 99 CYS H A 98 SER HBx 1.0 . 4.76 621 542 A 99 CYS H A 99 CYS HBy 1.0 . 3.05 622 543 A 99 CYS H A 99 CYS HBx 1.0 . 3.05 623 544 A 99 CYS H A 97 ARG HBx 1.0 . 5.36 624 544 A 97 ARG HBy A 99 CYS H 1.0 . 5.36 625 545 A 99 CYS H A 102 LYS HGy 1.0 . 4.53 626 546 A 99 CYS H A 102 LYS HGx 1.0 . 4.53 627 547 A 99 CYS H A 100 SER H 1.0 . 4.69 628 548 A 99 CYS H A 96 ASP H 1.0 . 4.89 629 549 A 99 CYS H A 101 CYS H 1.0 . 4.98 630 550 A 17 GLN H A 16 LYS HA 1.0 . 3.52 631 551 A 17 GLN H A 14 VAL HA 1.0 . 3.84 632 552 A 17 GLN H A 17 GLN HGy 1.0 . 3.05 633 553 A 17 GLN H A 16 LYS HEx 1.0 . 5.50 634 553 A 17 GLN H A 16 LYS HEy 1.0 . 5.50 635 554 A 17 GLN H A 17 GLN HBx 1.0 . 2.85 636 555 A 17 GLN H A 16 LYS HBx 1.0 . 4.17 637 556 A 17 GLN H A 16 LYS HBy 1.0 . 4.51 638 557 A 17 GLN H A 15 CYS HA 1.0 . 4.33 639 558 A 17 GLN H A 21 GLY H 1.0 . 4.04 640 559 A 17 GLN H A 15 CYS H 1.0 . 4.44 641 560 A 12 THR HA A 13 ASP H 1.0 . 3.03 642 561 A 14 VAL HA A 13 ASP H 1.0 . 5.23 643 562 A 13 ASP H A 13 ASP HBy 1.0 . 3.80 644 563 A 13 ASP H A 13 ASP HBx 1.0 . 3.80 645 564 A 13 ASP H A 14 VAL HB 1.0 . 5.15 646 565 A 12 THR HG2% A 13 ASP H 1.0 . 3.64 647 566 A 14 VAL H A 13 ASP H 1.0 . 3.48 648 567 A 44 CYS HA A 61 CYS H 1.0 . 5.50 649 568 A 59 CYS HA A 61 CYS H 1.0 . 4.03 650 569 A 61 CYS HBy A 61 CYS H 1.0 . 3.62 651 570 A 61 CYS H A 61 CYS HBx 1.0 . 3.01 652 571 A 45 THR HG2% A 61 CYS H 1.0 . 4.01 653 572 A 60 ASN HA A 61 CYS H 1.0 . 3.21 654 573 A 31 ASP H A 30 THR HB 1.0 . 2.76 655 574 A 31 ASP H A 31 ASP HBx 1.0 . 3.57 656 575 A 31 ASP H A 31 ASP HBy 1.0 . 3.57 657 576 A 30 THR HG2% A 31 ASP H 1.0 . 3.96 658 577 A 35 CYS HBy A 39 LYS H 1.0 . 5.12 659 578 A 39 LYS H A 39 LYS HDy 1.0 . 4.64 660 579 A 39 LYS H A 39 LYS HDx 1.0 . 4.64 661 580 A 39 LYS H A 39 LYS HGx 1.0 . 4.11 662 580 A 39 LYS HGy A 39 LYS H 1.0 . 4.11 663 581 A 40 TYR H A 39 LYS H 1.0 . 3.23 664 582 A 39 LYS H A 37 SER H 1.0 . 3.98 665 583 A 14 VAL HA A 17 GLN HE2x 1.0 . 4.06 666 584 A 17 GLN HE2x A 14 VAL HGx% 1.0 . 5.07 667 585 A 76 CYS HA A 81 CYS H 1.0 . 5.25 668 586 A 88 THR HA A 81 CYS H 1.0 . 5.46 669 587 A 81 CYS H A 80 SER HBy 1.0 . 4.57 670 588 A 81 CYS H A 80 SER HBx 1.0 . 4.57 671 589 A 81 CYS H A 81 CYS HBy 1.0 . 3.08 672 590 A 81 CYS H A 81 CYS HBx 1.0 . 3.08 673 591 A 88 THR HG2% A 81 CYS H 1.0 . 3.64 674 592 A 81 CYS H A 80 SER H 1.0 . 3.89 675 593 A 27 CYS HA A 28 ASN H 1.0 . 2.91 676 594 A 29 CYS HA A 28 ASN H 1.0 . 4.62 677 595 A 28 ASN H A 28 ASN HBy 1.0 . 3.94 678 596 A 27 CYS HBx A 28 ASN H 1.0 . 4.66 679 597 A 27 CYS HBy A 28 ASN H 1.0 . 4.98 680 598 A 22 CYS HBy A 28 ASN H 1.0 . 4.87 681 599 A 28 ASN H A 28 ASN HBx 1.0 . 3.94 682 600 A 12 THR HG2% A 28 ASN H 1.0 . 3.77 683 601 A 28 ASN HD2x A 28 ASN H 1.0 . 5.24 684 602 A 11 CYS HA A 8 GLY H 1.0 . 5.12 685 603 A 8 GLY H A 33 CYS HA 1.0 . 3.66 686 604 A 8 GLY H A 33 CYS HBx 1.0 . 5.41 687 605 A 11 CYS HBy A 8 GLY H 1.0 . 5.26 688 606 A 11 CYS HBx A 8 GLY H 1.0 . 4.86 689 607 A 34 LYS HBx A 8 GLY H 1.0 . 5.50 690 608 A 9 ALA HB% A 8 GLY H 1.0 . 5.50 691 609 A 34 LYS H A 8 GLY H 1.0 . 3.95 692 610 A 7 PHE H A 8 GLY H 1.0 . 4.76 693 611 A 7 PHE HA A 8 GLY H 1.0 . 2.84 694 612 A 47 THR HA A 50 GLN HE2x 1.0 . 4.46 695 613 A 54 GLY HAy A 50 GLN HE2x 1.0 . 4.64 696 614 A 50 GLN HE2x A 50 GLN HBx 1.0 . 4.51 697 614 A 50 GLN HBy A 50 GLN HE2x 1.0 . 4.51 698 615 A 47 THR HG2% A 50 GLN HE2x 1.0 . 4.16 699 616 A 14 VAL HA A 17 GLN HE2y 1.0 . 4.06 700 617 A 17 GLN HE2y A 14 VAL HGy% 1.0 . 5.07 701 618 A 17 GLN HE2y A 14 VAL HGx% 1.0 . 5.07 702 619 A 11 CYS H A 10 GLY HAx 1.0 . 3.01 703 619 A 11 CYS H A 10 GLY HAy 1.0 . 3.01 704 620 A 11 CYS H A 8 GLY HAy 1.0 . 5.16 705 621 A 11 CYS H A 11 CYS HBy 1.0 . 3.72 706 622 A 11 CYS H A 11 CYS HBx 1.0 . 2.72 707 623 A 11 CYS H A 16 LYS HEx 1.0 . 4.35 708 623 A 11 CYS H A 16 LYS HEy 1.0 . 4.35 709 624 A 11 CYS H A 30 THR HG2% 1.0 . 5.16 710 625 A 11 CYS H A 10 GLY H 1.0 . 3.32 711 626 A 11 CYS H A 8 GLY H 1.0 . 4.78 712 627 A 11 CYS H A 9 ALA H 1.0 . 4.28 713 628 A 28 ASN HA A 28 ASN HD2y 1.0 . 5.07 714 629 A 45 THR HA A 47 THR H 1.0 . 4.28 715 630 A 46 ASP HA A 47 THR H 1.0 . 3.54 716 631 A 47 THR HB A 47 THR H 1.0 . 3.56 717 632 A 45 THR HG2% A 47 THR H 1.0 . 3.94 718 633 A 47 THR HG2% A 47 THR H 1.0 . 4.18 719 634 A 47 THR H A 50 GLN H 1.0 . 5.50 720 635 A 49 LYS H A 47 THR H 1.0 . 4.85 721 636 A 46 ASP H A 47 THR H 1.0 . 3.51 722 637 A 36 GLN HA A 37 SER H 1.0 . 3.24 723 638 A 35 CYS HBx A 37 SER H 1.0 . 4.64 724 639 A 35 CYS HBy A 37 SER H 1.0 . 4.13 725 640 A 37 SER H A 36 GLN HBy 1.0 . 4.79 726 641 A 37 SER H A 36 GLN HBx 1.0 . 4.79 727 642 A 38 CYS H A 37 SER H 1.0 . 2.95 728 643 A 37 SER H A 38 CYS HA 1.0 . 5.01 729 644 A 35 CYS H A 37 SER H 1.0 . 5.15 730 645 A 21 GLY HAy A 18 THR H 1.0 . 5.50 731 646 A 18 THR H A 17 GLN HA 1.0 . 2.70 732 647 A 17 GLN HGy A 18 THR H 1.0 . 4.79 733 648 A 18 THR H A 17 GLN HGx 1.0 . 4.00 734 649 A 44 CYS H A 40 TYR HA 1.0 . 5.39 735 650 A 44 CYS H A 61 CYS HA 1.0 . 4.94 736 651 A 44 CYS H A 43 GLY HAx 1.0 . 3.21 737 652 A 44 CYS H A 41 GLY HAx 1.0 . 4.59 738 653 A 44 CYS H A 43 GLY HAy 1.0 . 3.51 739 654 A 44 CYS H A 44 CYS HBx 1.0 . 2.93 740 655 A 44 CYS H A 62 LYS HBy 1.0 . 4.79 741 656 A 44 CYS H A 62 LYS HBx 1.0 . 4.65 742 657 A 44 CYS H A 62 LYS HGy 1.0 . 4.58 743 658 A 44 CYS H A 62 LYS HGx 1.0 . 3.80 744 659 A 44 CYS H A 43 GLY H 1.0 . 3.21 745 660 A 44 CYS H A 42 ALA H 1.0 . 4.64 746 661 A 44 CYS H A 62 LYS H 1.0 . 4.79 747 662 A 86 GLY H A 86 GLY HAx 1.0 . 2.85 748 663 A 86 GLY H A 85 LYS HEx 1.0 . 5.50 749 663 A 85 LYS HEy A 86 GLY H 1.0 . 5.50 750 664 A 86 GLY H A 81 CYS HBy 1.0 . 4.64 751 665 A 86 GLY H A 81 CYS HBx 1.0 . 4.64 752 666 A 85 LYS HBx A 86 GLY H 1.0 . 3.64 753 667 A 85 LYS HGy A 86 GLY H 1.0 . 5.39 754 668 A 86 GLY H A 85 LYS HDx 1.0 . 5.36 755 668 A 85 LYS HDy A 86 GLY H 1.0 . 5.36 756 669 A 85 LYS HGx A 86 GLY H 1.0 . 4.77 757 670 A 85 LYS H A 86 GLY H 1.0 . 3.03 758 671 A 33 CYS HA A 35 CYS H 1.0 . 3.98 759 672 A 35 CYS H A 35 CYS HBx 1.0 . 3.04 760 673 A 35 CYS HBy A 35 CYS H 1.0 . 3.09 761 674 A 34 LYS HBy A 35 CYS H 1.0 . 4.82 762 675 A 34 LYS HBx A 35 CYS H 1.0 . 4.74 763 676 A 35 CYS H A 39 LYS HDy 1.0 . 5.50 764 677 A 35 CYS H A 39 LYS HDx 1.0 . 5.50 765 678 A 35 CYS H A 39 LYS HGx 1.0 . 4.81 766 678 A 39 LYS HGy A 35 CYS H 1.0 . 4.81 767 679 A 5 SER HA A 6 VAL H 1.0 . 3.16 768 680 A 6 VAL H A 5 SER HBx 1.0 . 4.64 769 681 A 6 VAL H A 5 SER HBy 1.0 . 4.64 770 682 A 6 VAL HB A 6 VAL H 1.0 . 3.64 771 683 A 6 VAL HGx% A 6 VAL H 1.0 . 3.17 772 684 A 7 PHE H A 5 SER HA 1.0 . 4.98 773 685 A 7 PHE H A 7 PHE HBy 1.0 . 3.80 774 686 A 7 PHE H A 7 PHE HBx 1.0 . 3.80 775 687 A 7 PHE H A 6 VAL HB 1.0 . 4.52 776 688 A 34 LYS HBx A 7 PHE H 1.0 . 5.35 777 689 A 7 PHE H A 6 VAL HGx% 1.0 . 3.57 778 690 A 96 ASP HA A 97 ARG H 1.0 . 3.24 779 691 A 64 ASP HA A 97 ARG H 1.0 . 4.44 780 692 A 66 ARG HA A 97 ARG H 1.0 . 4.95 781 693 A 97 ARG H A 96 ASP HBy 1.0 . 3.47 782 694 A 97 ARG H A 96 ASP HBx 1.0 . 3.47 783 695 A 97 ARG H A 97 ARG HGy 1.0 . 3.34 784 696 A 97 ARG H A 97 ARG HBx 1.0 . 3.06 785 696 A 97 ARG HBy A 97 ARG H 1.0 . 3.06 786 697 A 97 ARG H A 97 ARG HGx 1.0 . 3.34 787 698 A 87 CYS H A 87 CYS HBy 1.0 . 3.74 788 699 A 86 GLY HAx A 87 CYS H 1.0 . 3.28 789 700 A 87 CYS H A 87 CYS HBx 1.0 . 3.74 790 701 A 87 CYS H A 81 CYS HBy 1.0 . 4.63 791 702 A 87 CYS H A 81 CYS HBx 1.0 . 4.63 792 703 A 85 LYS HBx A 87 CYS H 1.0 . 3.27 793 704 A 85 LYS HGy A 87 CYS H 1.0 . 5.46 794 705 A 85 LYS HGx A 87 CYS H 1.0 . 5.50 795 706 A 88 THR HG2% A 87 CYS H 1.0 . 4.80 796 707 A 89 GLY H A 87 CYS H 1.0 . 5.27 797 708 A 81 CYS HA A 87 CYS H 1.0 . 5.50 798 709 A 86 GLY H A 87 CYS H 1.0 . 2.90 799 710 A 81 CYS H A 87 CYS H 1.0 . 5.50 800 711 A 84 GLY H A 87 CYS H 1.0 . 5.50 801 712 A 88 THR H A 87 CYS H 1.0 . 4.28 802 713 A 85 LYS H A 87 CYS H 1.0 . 4.67 803 714 A 50 GLN HA A 50 GLN H 1.0 . 2.94 804 715 A 49 LYS HA A 50 GLN H 1.0 . 3.38 805 716 A 54 GLY HAy A 50 GLN H 1.0 . 5.14 806 717 A 17 GLN H A 15 CYS HBy 1.0 . 5.14 807 718 A 50 GLN H A 50 GLN HGy 1.0 . 3.17 808 719 A 48 CYS HBy A 50 GLN H 1.0 . 4.99 809 720 A 50 GLN H A 50 GLN HGx 1.0 . 3.17 810 721 A 50 GLN H A 50 GLN HBx 1.0 . 2.79 811 721 A 50 GLN HBy A 50 GLN H 1.0 . 2.79 812 722 A 50 GLN H A 49 LYS HBy 1.0 . 4.55 813 723 A 50 GLN H A 49 LYS HBx 1.0 . 4.55 814 724 A 47 THR HG2% A 50 GLN H 1.0 . 5.50 815 725 A 49 LYS H A 50 GLN H 1.0 . 3.13 816 726 A 48 CYS HA A 50 GLN H 1.0 . 4.27 817 727 A 50 GLN H A 51 THR H 1.0 . 4.29 818 728 A 48 CYS H A 50 GLN H 1.0 . 5.39 819 729 A 21 GLY HAy A 23 ALA H 1.0 . 4.44 820 730 A 20 CYS HA A 23 ALA H 1.0 . 5.50 821 731 A 24 THR HA A 23 ALA H 1.0 . 5.50 822 732 A 24 THR HB A 23 ALA H 1.0 . 5.50 823 733 A 23 ALA H A 38 CYS HBy 1.0 . 5.50 824 734 A 23 ALA H A 38 CYS HBx 1.0 . 5.50 825 735 A 22 CYS HBx A 23 ALA H 1.0 . 3.56 826 736 A 23 ALA HB% A 23 ALA H 1.0 . 2.65 827 737 A 24 THR HG2% A 23 ALA H 1.0 . 5.36 828 738 A 23 ALA H A 38 CYS HA 1.0 . 5.50 829 739 A 22 CYS H A 23 ALA H 1.0 . 3.34 830 740 A 21 GLY H A 23 ALA H 1.0 . 4.69 831 741 A 21 GLY HAy A 25 SER H 1.0 . 4.89 832 742 A 25 SER H A 26 GLY HAx 1.0 . 5.12 833 743 A 24 THR HA A 25 SER H 1.0 . 3.55 834 744 A 25 SER H A 23 ALA HA 1.0 . 4.59 835 745 A 25 SER H A 26 GLY HAy 1.0 . 4.87 836 746 A 23 ALA HB% A 25 SER H 1.0 . 4.70 837 747 A 25 SER H A 24 THR HG2% 1.0 . 4.05 838 748 A 25 SER H A 26 GLY H 1.0 . 2.97 839 749 A 71 SER H A 68 GLN HA 1.0 . 3.85 840 750 A 71 SER H A 71 SER HBy 1.0 . 3.59 841 751 A 71 SER H A 71 SER HBx 1.0 . 3.59 842 752 A 70 CYS HBx A 71 SER H 1.0 . 4.48 843 753 A 71 SER H A 67 CYS HBy 1.0 . 4.55 844 754 A 70 CYS HBy A 71 SER H 1.0 . 4.27 845 755 A 71 SER H A 55 CYS HBx 1.0 . 5.50 846 755 A 55 CYS HBy A 71 SER H 1.0 . 5.50 847 756 A 71 SER H A 67 CYS HBx 1.0 . 5.50 848 757 A 63 GLU H A 64 ASP HA 1.0 . 4.64 849 758 A 63 GLU H A 43 GLY HAx 1.0 . 5.03 850 759 A 43 GLY HAy A 63 GLU H 1.0 . 4.77 851 760 A 63 GLU H A 61 CYS HBy 1.0 . 5.15 852 761 A 63 GLU H A 62 LYS HEx 1.0 . 5.05 853 761 A 63 GLU H A 62 LYS HEy 1.0 . 5.05 854 762 A 63 GLU H A 63 GLU HBx 1.0 . 3.80 855 763 A 62 LYS HBx A 63 GLU H 1.0 . 2.94 856 764 A 63 GLU H A 62 LYS HGy 1.0 . 4.28 857 765 A 63 GLU H A 62 LYS HGx 1.0 . 4.49 858 766 A 63 GLU HA A 65 CYS H 1.0 . 3.85 859 767 A 65 CYS HBx A 65 CYS H 1.0 . 3.05 860 768 A 65 CYS HBy A 65 CYS H 1.0 . 2.99 861 769 A 65 CYS H A 97 ARG HGy 1.0 . 4.54 862 770 A 65 CYS H A 97 ARG HBx 1.0 . 4.86 863 770 A 97 ARG HBy A 65 CYS H 1.0 . 4.86 864 771 A 62 LYS HBx A 65 CYS H 1.0 . 5.31 865 772 A 65 CYS H A 97 ARG HGx 1.0 . 4.54 866 773 A 63 GLU H A 65 CYS H 1.0 . 4.00 867 774 A 66 ARG H A 65 CYS H 1.0 . 4.74 868 775 A 69 SER H A 67 CYS HA 1.0 . 4.06 869 776 A 69 SER H A 68 GLN HA 1.0 . 3.35 870 777 A 69 SER H A 69 SER HBx 1.0 . 3.52 871 778 A 69 SER H A 67 CYS HBy 1.0 . 4.34 872 779 A 70 CYS HBy A 69 SER H 1.0 . 4.99 873 780 A 69 SER H A 68 GLN HGy 1.0 . 5.18 874 781 A 69 SER H A 67 CYS HBx 1.0 . 4.65 875 782 A 69 SER H A 68 GLN HGx 1.0 . 3.83 876 783 A 69 SER H A 71 SER H 1.0 . 3.87 877 784 A 69 SER H A 70 CYS HA 1.0 . 4.83 878 785 A 69 SER H A 68 GLN H 1.0 . 3.26 879 786 A 75 LYS HA A 76 CYS H 1.0 . 3.39 880 787 A 74 CYS HA A 76 CYS H 1.0 . 4.48 881 788 A 89 GLY HAx A 76 CYS H 1.0 . 4.96 882 789 A 74 CYS HBy A 76 CYS H 1.0 . 3.68 883 790 A 74 CYS HBx A 76 CYS H 1.0 . 4.45 884 791 A 76 CYS H A 75 LYS HBy 1.0 . 4.46 885 792 A 76 CYS H A 75 LYS HBx 1.0 . 4.46 886 793 A 76 CYS H A 75 LYS HDx 1.0 . 5.50 887 793 A 75 LYS HDy A 76 CYS H 1.0 . 5.50 888 794 A 77 ALA HB% A 76 CYS H 1.0 . 4.70 889 795 A 74 CYS H A 76 CYS H 1.0 . 5.30 890 796 A 81 CYS HA A 76 CYS H 1.0 . 5.50 891 797 A 76 CYS H A 75 LYS H 1.0 . 3.11 892 798 A 46 ASP HA A 49 LYS H 1.0 . 3.87 893 799 A 48 CYS HBx A 49 LYS H 1.0 . 4.28 894 800 A 44 CYS HBy A 49 LYS H 1.0 . 5.50 895 801 A 48 CYS HBy A 49 LYS H 1.0 . 3.62 896 802 A 49 LYS H A 49 LYS HEx 1.0 . 4.76 897 802 A 49 LYS HEy A 49 LYS H 1.0 . 4.76 898 803 A 49 LYS H A 50 GLN HBx 1.0 . 4.94 899 803 A 50 GLN HBy A 49 LYS H 1.0 . 4.94 900 804 A 40 TYR HA A 41 GLY H 1.0 . 2.92 901 805 A 44 CYS HBx A 41 GLY H 1.0 . 3.94 902 806 A 62 LYS HGy A 41 GLY H 1.0 . 4.93 903 807 A 42 ALA HB% A 41 GLY H 1.0 . 4.96 904 808 A 42 ALA H A 41 GLY H 1.0 . 4.23 905 809 A 44 CYS H A 41 GLY H 1.0 . 3.67 906 810 A 27 CYS HA A 29 CYS H 1.0 . 3.88 907 811 A 11 CYS HA A 29 CYS H 1.0 . 5.50 908 812 A 29 CYS H A 29 CYS HBy 1.0 . 3.71 909 813 A 29 CYS H A 33 CYS HBx 1.0 . 5.50 910 814 A 29 CYS H A 29 CYS HBx 1.0 . 3.71 911 815 A 15 CYS HBx A 29 CYS H 1.0 . 5.50 912 816 A 12 THR HG2% A 29 CYS H 1.0 . 3.94 913 817 A 28 ASN HA A 29 CYS H 1.0 . 3.38 914 818 A 29 CYS H A 28 ASN H 1.0 . 3.24 915 819 A 53 CYS HA A 54 GLY H 1.0 . 2.62 916 820 A 47 THR HB A 54 GLY H 1.0 . 5.43 917 821 A 54 GLY HAy A 54 GLY H 1.0 . 2.83 918 822 A 53 CYS HBy A 54 GLY H 1.0 . 4.00 919 823 A 54 GLY H A 50 GLN HGy 1.0 . 4.44 920 824 A 54 GLY H A 50 GLN HGx 1.0 . 4.44 921 825 A 54 GLY H A 50 GLN HBx 1.0 . 3.11 922 825 A 50 GLN HBy A 54 GLY H 1.0 . 3.11 923 826 A 47 THR HG2% A 54 GLY H 1.0 . 3.89 924 827 A 54 GLY H A 50 GLN HE2y 1.0 . 5.50 925 828 A 54 GLY H A 50 GLN H 1.0 . 4.02 926 829 A 54 GLY H A 50 GLN HE2x 1.0 . 5.16 927 830 A 48 CYS HA A 54 GLY H 1.0 . 3.67 928 831 A 14 VAL H A 12 THR HB 1.0 . 3.11 929 832 A 12 THR HA A 14 VAL H 1.0 . 4.15 930 833 A 14 VAL H A 15 CYS HBy 1.0 . 4.74 931 834 A 14 VAL H A 14 VAL HB 1.0 . 2.91 932 835 A 12 THR HG2% A 14 VAL H 1.0 . 4.20 933 836 A 14 VAL H A 14 VAL HGy% 1.0 . 4.41 934 837 A 14 VAL H A 16 LYS H 1.0 . 4.66 935 838 A 96 ASP HA A 66 ARG H 1.0 . 4.96 936 839 A 65 CYS HA A 66 ARG H 1.0 . 3.00 937 840 A 65 CYS HBx A 66 ARG H 1.0 . 4.38 938 841 A 65 CYS HBy A 66 ARG H 1.0 . 4.56 939 842 A 67 CYS HBx A 66 ARG H 1.0 . 4.77 940 843 A 66 ARG H A 66 ARG HGy 1.0 . 4.31 941 844 A 66 ARG H A 66 ARG HGx 1.0 . 4.31 942 845 A 69 SER HA A 68 GLN H 1.0 . 5.13 943 846 A 67 CYS HA A 68 GLN H 1.0 . 2.92 944 847 A 67 CYS HBy A 68 GLN H 1.0 . 4.22 945 848 A 68 GLN H A 68 GLN HGy 1.0 . 3.75 946 849 A 67 CYS HBx A 68 GLN H 1.0 . 4.29 947 850 A 68 GLN HGx A 68 GLN H 1.0 . 3.15 948 851 A 68 GLN H A 68 GLN HE2x 1.0 . 4.62 949 852 A 88 THR HB A 77 ALA H 1.0 . 4.14 950 853 A 76 CYS HA A 77 ALA H 1.0 . 2.66 951 854 A 77 ALA H A 89 GLY HAx 1.0 . 5.50 952 855 A 77 ALA H A 80 SER HBy 1.0 . 4.18 953 856 A 77 ALA H A 80 SER HBx 1.0 . 4.18 954 857 A 77 ALA H A 76 CYS HBy 1.0 . 4.07 955 858 A 77 ALA HB% A 77 ALA H 1.0 . 3.06 956 859 A 88 THR HG2% A 77 ALA H 1.0 . 4.13 957 860 A 89 GLY H A 77 ALA H 1.0 . 5.17 958 861 A 77 ALA H A 76 CYS H 1.0 . 4.69 959 862 A 77 ALA H A 80 SER H 1.0 . 4.12 960 863 A 54 GLY HAx A 56 GLY H 1.0 . 5.05 961 864 A 59 CYS HA A 56 GLY H 1.0 . 5.50 962 865 A 53 CYS HBy A 56 GLY H 1.0 . 4.75 963 866 A 70 CYS HBy A 56 GLY H 1.0 . 5.09 964 867 A 56 GLY H A 55 CYS HBx 1.0 . 3.49 965 867 A 55 CYS HBy A 56 GLY H 1.0 . 3.49 966 868 A 47 THR HG2% A 56 GLY H 1.0 . 4.87 967 869 A 11 CYS HA A 30 THR H 1.0 . 3.90 968 870 A 29 CYS HA A 30 THR H 1.0 . 3.04 969 871 A 30 THR H A 29 CYS HBy 1.0 . 3.60 970 872 A 33 CYS HBx A 30 THR H 1.0 . 3.61 971 873 A 30 THR H A 29 CYS HBx 1.0 . 3.60 972 874 A 33 CYS HBy A 30 THR H 1.0 . 5.18 973 875 A 30 THR HG2% A 30 THR H 1.0 . 3.11 974 876 A 30 THR H A 32 ASP H 1.0 . 5.39 975 877 A 43 GLY HAx A 64 ASP H 1.0 . 5.22 976 878 A 43 GLY HAy A 64 ASP H 1.0 . 4.38 977 879 A 65 CYS HBx A 64 ASP H 1.0 . 4.86 978 880 A 64 ASP H A 64 ASP HBy 1.0 . 3.28 979 881 A 65 CYS HBy A 64 ASP H 1.0 . 5.50 980 882 A 64 ASP H A 64 ASP HBx 1.0 . 3.28 981 883 A 64 ASP H A 63 GLU HGx 1.0 . 4.71 982 883 A 63 GLU HGy A 64 ASP H 1.0 . 4.71 983 884 A 62 LYS HBy A 64 ASP H 1.0 . 3.96 984 885 A 64 ASP H A 63 GLU HBx 1.0 . 3.89 985 886 A 64 ASP H A 63 GLU HBy 1.0 . 3.89 986 887 A 62 LYS HBx A 64 ASP H 1.0 . 3.34 987 888 A 62 LYS HGy A 64 ASP H 1.0 . 5.34 988 889 A 42 ALA HB% A 64 ASP H 1.0 . 4.69 989 890 A 43 GLY H A 64 ASP H 1.0 . 4.65 990 891 A 63 GLU H A 64 ASP H 1.0 . 3.12 991 892 A 94 LYS HA A 68 GLN HE2x 1.0 . 3.84 992 893 A 67 CYS HA A 68 GLN HE2x 1.0 . 4.92 993 894 A 68 GLN HA A 68 GLN HE2x 1.0 . 4.55 994 895 A 68 GLN HE2x A 94 LYS HGx 1.0 . 5.22 995 895 A 94 LYS HGy A 68 GLN HE2x 1.0 . 5.22 996 896 A 34 LYS H A 8 GLY HAx 1.0 . 4.94 997 897 A 35 CYS HA A 34 LYS H 1.0 . 5.49 998 898 A 8 GLY HAy A 34 LYS H 1.0 . 5.05 999 899 A 34 LYS H A 33 CYS HA 1.0 . 2.85 1000 900 A 34 LYS H A 33 CYS HBx 1.0 . 4.82 1001 901 A 34 LYS H A 35 CYS HBx 1.0 . 5.10 1002 902 A 34 LYS H A 34 LYS HEx 1.0 . 5.50 1003 903 A 34 LYS H A 34 LYS HEy 1.0 . 5.50 1004 904 A 34 LYS H A 33 CYS HBy 1.0 . 4.47 1005 905 A 34 LYS HBy A 34 LYS H 1.0 . 3.89 1006 906 A 34 LYS HBx A 34 LYS H 1.0 . 3.20 1007 907 A 7 PHE HA A 34 LYS H 1.0 . 4.31 1008 908 A 34 LYS H A 35 CYS H 1.0 . 3.19 1009 909 A 74 CYS HA A 75 LYS H 1.0 . 2.70 1010 910 A 74 CYS HBy A 75 LYS H 1.0 . 3.81 1011 911 A 74 CYS HBx A 75 LYS H 1.0 . 4.37 1012 912 A 74 CYS H A 75 LYS H 1.0 . 4.84 1013 913 A 91 ASP HA A 92 SER H 1.0 . 3.54 1014 914 A 93 CYS HA A 92 SER H 1.0 . 4.62 1015 915 A 92 SER H A 92 SER HBy 1.0 . 3.94 1016 916 A 89 GLY HAx A 92 SER H 1.0 . 5.50 1017 917 A 92 SER H A 92 SER HBx 1.0 . 3.94 1018 918 A 92 SER H A 93 CYS HBx 1.0 . 4.08 1019 918 A 93 CYS HBy A 92 SER H 1.0 . 4.08 1020 919 A 92 SER H A 91 ASP HBy 1.0 . 4.14 1021 920 A 92 SER H A 91 ASP HBx 1.0 . 4.14 1022 921 A 90 PRO HGx A 92 SER H 1.0 . 5.19 1023 922 A 93 CYS H A 92 SER H 1.0 . 2.83 1024 923 A 89 GLY H A 92 SER H 1.0 . 5.17 1025 924 A 91 ASP H A 92 SER H 1.0 . 3.25 1026 925 A 45 THR H A 44 CYS HA 1.0 . 2.68 1027 926 A 47 THR HB A 45 THR H 1.0 . 5.50 1028 927 A 44 CYS HBy A 45 THR H 1.0 . 3.00 1029 928 A 48 CYS HBy A 45 THR H 1.0 . 3.59 1030 929 A 45 THR H A 49 LYS H 1.0 . 4.69 1031 930 A 45 THR H A 62 LYS H 1.0 . 5.50 1032 931 A 85 LYS H A 86 GLY HAx 1.0 . 4.95 1033 932 A 85 LYS H A 85 LYS HEx 1.0 . 5.35 1034 932 A 85 LYS HEy A 85 LYS H 1.0 . 5.35 1035 933 A 85 LYS HBx A 85 LYS H 1.0 . 2.81 1036 934 A 85 LYS HGx A 85 LYS H 1.0 . 3.30 1037 935 A 66 ARG HA A 96 ASP H 1.0 . 4.59 1038 936 A 96 ASP H A 95 CYS HA 1.0 . 2.88 1039 937 A 96 ASP H A 97 ARG HA 1.0 . 5.50 1040 938 A 97 ARG H A 96 ASP H 1.0 . 4.67 1041 939 A 98 SER H A 96 ASP H 1.0 . 5.28 1042 940 A 52 PRO HA A 51 THR H 1.0 . 4.60 1043 941 A 51 THR H A 50 GLN HBx 1.0 . 2.60 1044 941 A 50 GLN HBy A 51 THR H 1.0 . 2.60 1045 942 A 18 THR HG2% A 18 THR H 1.0 . 4.32 1046 943 A 51 THR HG2% A 51 THR H 1.0 . 4.63 1047 944 A 15 CYS H A 12 THR HB 1.0 . 3.83 1048 945 A 15 CYS H A 12 THR HA 1.0 . 4.97 1049 946 A 13 ASP HA A 15 CYS H 1.0 . 4.79 1050 947 A 15 CYS H A 16 LYS HA 1.0 . 5.39 1051 948 A 15 CYS H A 15 CYS HBy 1.0 . 3.05 1052 949 A 15 CYS H A 17 GLN HGy 1.0 . 4.90 1053 950 A 15 CYS HBx A 15 CYS H 1.0 . 3.05 1054 951 A 15 CYS H A 14 VAL HB 1.0 . 4.19 1055 952 A 15 CYS H A 12 THR HG2% 1.0 . 4.78 1056 953 A 15 CYS H A 14 VAL HGy% 1.0 . 4.16 1057 954 A 15 CYS H A 14 VAL HGx% 1.0 . 4.16 1058 955 A 15 CYS H A 14 VAL H 1.0 . 3.04 1059 956 A 74 CYS H A 90 PRO HA 1.0 . 4.11 1060 957 A 74 CYS H A 73 ALA HA 1.0 . 2.70 1061 958 A 74 CYS H A 72 THR HA 1.0 . 5.50 1062 959 A 74 CYS H A 74 CYS HBy 1.0 . 3.55 1063 960 A 74 CYS H A 90 PRO HBy 1.0 . 4.54 1064 961 A 74 CYS H A 74 CYS HBx 1.0 . 3.03 1065 962 A 74 CYS H A 90 PRO HBx 1.0 . 4.54 1066 963 A 74 CYS H A 73 ALA HB% 1.0 . 3.61 1067 964 A 80 SER H A 80 SER HBy 1.0 . 3.34 1068 965 A 80 SER H A 80 SER HBx 1.0 . 3.34 1069 966 A 80 SER H A 81 CYS HBy 1.0 . 5.17 1070 967 A 80 SER H A 81 CYS HBx 1.0 . 5.17 1071 968 A 77 ALA HB% A 80 SER H 1.0 . 5.05 1072 969 A 78 ALA HB% A 80 SER H 1.0 . 5.33 1073 970 A 88 THR HG2% A 80 SER H 1.0 . 3.14 1074 971 A 81 CYS HA A 80 SER H 1.0 . 4.96 1075 972 A 79 GLY H A 80 SER H 1.0 . 3.40 1076 973 A 44 CYS HA A 62 LYS H 1.0 . 4.28 1077 974 A 61 CYS HA A 62 LYS H 1.0 . 3.02 1078 975 A 61 CYS HBy A 62 LYS H 1.0 . 3.04 1079 976 A 65 CYS HBx A 62 LYS H 1.0 . 3.98 1080 977 A 62 LYS H A 62 LYS HEx 1.0 . 4.95 1081 977 A 62 LYS HEy A 62 LYS H 1.0 . 4.95 1082 978 A 61 CYS HBx A 62 LYS H 1.0 . 3.68 1083 979 A 62 LYS HBy A 62 LYS H 1.0 . 3.81 1084 980 A 62 LYS HBx A 62 LYS H 1.0 . 3.28 1085 981 A 62 LYS HGy A 62 LYS H 1.0 . 3.94 1086 982 A 62 LYS HGx A 62 LYS H 1.0 . 3.36 1087 983 A 45 THR HG2% A 62 LYS H 1.0 . 4.84 1088 984 A 62 LYS H A 64 ASP H 1.0 . 5.15 1089 985 A 62 LYS H A 65 CYS H 1.0 . 5.27 1090 986 A 61 CYS H A 62 LYS H 1.0 . 4.67 1091 987 A 88 THR HA A 89 GLY H 1.0 . 3.12 1092 988 A 89 GLY H A 89 GLY HAx 1.0 . 2.84 1093 989 A 89 GLY H A 76 CYS HBy 1.0 . 3.71 1094 990 A 89 GLY H A 76 CYS HBx 1.0 . 3.71 1095 991 A 89 GLY H A 74 CYS HBx 1.0 . 5.26 1096 992 A 77 ALA HB% A 89 GLY H 1.0 . 5.20 1097 993 A 88 THR HG2% A 89 GLY H 1.0 . 4.45 1098 994 A 81 CYS HA A 89 GLY H 1.0 . 5.50 1099 995 A 89 GLY H A 76 CYS H 1.0 . 4.72 1100 996 A 89 GLY H A 88 THR H 1.0 . 3.12 1101 997 A 101 CYS H A 101 CYS HBy 1.0 . 3.71 1102 998 A 102 LYS HA A 101 CYS H 1.0 . 5.27 1103 999 A 99 CYS HA A 101 CYS H 1.0 . 4.62 1104 1000 A 101 CYS H A 83 CYS HBy 1.0 . 4.07 1105 1001 A 101 CYS H A 101 CYS HBx 1.0 . 3.71 1106 1002 A 101 CYS H A 83 CYS HBx 1.0 . 4.07 1107 1003 A 102 LYS H A 101 CYS H 1.0 . 2.98 1108 1004 A 51 THR HA A 53 CYS H 1.0 . 3.99 1109 1005 A 54 GLY HAx A 53 CYS H 1.0 . 4.76 1110 1006 A 54 GLY HAy A 53 CYS H 1.0 . 5.50 1111 1007 A 53 CYS HBx A 53 CYS H 1.0 . 3.17 1112 1008 A 52 PRO HBy A 53 CYS H 1.0 . 4.02 1113 1009 A 52 PRO HBx A 53 CYS H 1.0 . 3.09 1114 1010 A 53 CYS H A 52 PRO HGy 1.0 . 4.23 1115 1011 A 53 CYS H A 52 PRO HGx 1.0 . 4.23 1116 1012 A 51 THR HG2% A 53 CYS H 1.0 . 5.14 1117 1013 A 92 SER HA A 93 CYS H 1.0 . 3.56 1118 1014 A 93 CYS H A 92 SER HBy 1.0 . 4.60 1119 1015 A 93 CYS H A 92 SER HBx 1.0 . 4.60 1120 1016 A 93 CYS H A 93 CYS HBx 1.0 . 2.73 1121 1016 A 93 CYS HBy A 93 CYS H 1.0 . 2.73 1122 1017 A 93 CYS H A 94 LYS HGx 1.0 . 5.06 1123 1017 A 94 LYS HGy A 93 CYS H 1.0 . 5.06 1124 1018 A 89 GLY H A 93 CYS H 1.0 . 5.47 1125 1019 A 91 ASP H A 93 CYS H 1.0 . 4.05 1126 1020 A 44 CYS HA A 43 GLY H 1.0 . 5.16 1127 1021 A 42 ALA HA A 43 GLY H 1.0 . 3.34 1128 1022 A 41 GLY HAx A 43 GLY H 1.0 . 4.23 1129 1023 A 43 GLY HAy A 43 GLY H 1.0 . 2.85 1130 1024 A 43 GLY H A 64 ASP HBy 1.0 . 4.87 1131 1025 A 44 CYS HBy A 43 GLY H 1.0 . 5.50 1132 1026 A 43 GLY H A 62 LYS HEx 1.0 . 5.50 1133 1026 A 62 LYS HEy A 43 GLY H 1.0 . 5.50 1134 1027 A 44 CYS HBx A 43 GLY H 1.0 . 4.35 1135 1028 A 43 GLY H A 64 ASP HBx 1.0 . 4.87 1136 1029 A 62 LYS HBy A 43 GLY H 1.0 . 4.90 1137 1030 A 62 LYS HBx A 43 GLY H 1.0 . 4.14 1138 1031 A 62 LYS HGy A 43 GLY H 1.0 . 4.28 1139 1032 A 42 ALA HB% A 43 GLY H 1.0 . 3.54 1140 1033 A 42 ALA H A 43 GLY H 1.0 . 3.18 1141 1034 A 82 LYS HA A 83 CYS H 1.0 . 3.33 1142 1035 A 83 CYS H A 84 GLY HAy 1.0 . 5.05 1143 1036 A 83 CYS H A 84 GLY HAx 1.0 . 5.05 1144 1037 A 83 CYS H A 83 CYS HBy 1.0 . 3.83 1145 1038 A 83 CYS H A 81 CYS HBy 1.0 . 5.12 1146 1039 A 83 CYS H A 81 CYS HBx 1.0 . 5.12 1147 1040 A 83 CYS H A 83 CYS HBx 1.0 . 3.83 1148 1041 A 83 CYS H A 82 LYS HDx 1.0 . 5.42 1149 1041 A 82 LYS HDy A 83 CYS H 1.0 . 5.42 1150 1042 A 85 LYS H A 83 CYS H 1.0 . 4.26 1151 1043 A 81 CYS HA A 83 CYS H 1.0 . 3.96 1152 1044 A 86 GLY H A 83 CYS H 1.0 . 5.07 1153 1045 A 102 LYS H A 101 CYS HBy 1.0 . 5.16 1154 1046 A 102 LYS H A 99 CYS HA 1.0 . 4.78 1155 1047 A 102 LYS H A 97 ARG HA 1.0 . 5.50 1156 1048 A 102 LYS H A 99 CYS HBy 1.0 . 4.75 1157 1049 A 102 LYS H A 101 CYS HBx 1.0 . 5.16 1158 1050 A 102 LYS H A 99 CYS HBx 1.0 . 4.75 1159 1051 A 102 LYS H A 102 LYS HBy 1.0 . 3.74 1160 1052 A 102 LYS H A 102 LYS HBx 1.0 . 3.74 1161 1053 A 102 LYS H A 100 SER H 1.0 . 4.69 1162 1054 A 94 LYS HA A 68 GLN HE2y 1.0 . 3.79 1163 1055 A 67 CYS HA A 68 GLN HE2y 1.0 . 4.98 1164 1056 A 68 GLN HA A 68 GLN HE2y 1.0 . 5.24 1165 1057 A 68 GLN HGx A 68 GLN HE2y 1.0 . 3.85 1166 1058 A 95 CYS H A 68 GLN HE2y 1.0 . 4.73 1167 1059 A 40 TYR H A 37 SER HA 1.0 . 5.12 1168 1060 A 39 LYS HA A 40 TYR H 1.0 . 3.19 1169 1061 A 40 TYR H A 40 TYR HBy 1.0 . 3.63 1170 1062 A 40 TYR H A 40 TYR HBx 1.0 . 3.63 1171 1063 A 40 TYR H A 39 LYS HGx 1.0 . 5.04 1172 1063 A 39 LYS HGy A 40 TYR H 1.0 . 5.04 1173 1064 A 40 TYR H A 41 GLY H 1.0 . 4.74 1174 1065 A 6 VAL H A 5 SER HBy 1.0 . 4.04 1175 1065 A 6 VAL H A 5 SER HBx 1.0 . 4.04 1176 1066 A 7 PHE H A 5 SER HBy 1.0 . 4.31 1177 1066 A 7 PHE H A 5 SER HBx 1.0 . 4.31 1178 1067 A 7 PHE H A 7 PHE HBy 1.0 . 3.08 1179 1067 A 7 PHE H A 7 PHE HBx 1.0 . 3.08 1180 1068 A 8 GLY H A 7 PHE HBy 1.0 . 3.22 1181 1068 A 8 GLY H A 7 PHE HBx 1.0 . 3.22 1182 1069 A 8 GLY HAx A 7 PHE HBy 1.0 . 5.34 1183 1069 A 8 GLY HAx A 7 PHE HBx 1.0 . 5.34 1184 1070 A 11 CYS H A 7 PHE HBy 1.0 . 3.93 1185 1070 A 11 CYS H A 7 PHE HBx 1.0 . 3.93 1186 1071 A 11 CYS HBx A 7 PHE HBy 1.0 . 3.68 1187 1071 A 11 CYS HBx A 7 PHE HBx 1.0 . 3.68 1188 1072 A 7 PHE HBy A 16 LYS HEx 1.0 . 3.50 1189 1072 A 16 LYS HEy A 7 PHE HBy 1.0 . 3.50 1190 1072 A 16 LYS HEy A 7 PHE HBx 1.0 . 3.50 1191 1072 A 7 PHE HBx A 16 LYS HEx 1.0 . 3.50 1192 1073 A 8 GLY H A 34 LYS HGx 1.0 . 5.34 1193 1073 A 8 GLY H A 34 LYS HGy 1.0 . 5.34 1194 1074 A 8 GLY HAx A 32 ASP HBx 1.0 . 4.75 1195 1074 A 8 GLY HAx A 32 ASP HBy 1.0 . 4.75 1196 1075 A 9 ALA H A 32 ASP HBx 1.0 . 3.93 1197 1075 A 9 ALA H A 32 ASP HBy 1.0 . 3.93 1198 1076 A 10 GLY H A 32 ASP HBx 1.0 . 5.34 1199 1076 A 10 GLY H A 32 ASP HBy 1.0 . 5.34 1200 1077 A 11 CYS HA A 29 CYS HBy 1.0 . 5.15 1201 1077 A 11 CYS HA A 29 CYS HBx 1.0 . 5.15 1202 1078 A 11 CYS HBx A 16 LYS HGx 1.0 . 5.12 1203 1078 A 11 CYS HBx A 16 LYS HGy 1.0 . 5.12 1204 1079 A 11 CYS HBy A 16 LYS HGx 1.0 . 4.52 1205 1079 A 11 CYS HBy A 16 LYS HGy 1.0 . 4.52 1206 1080 A 12 THR H A 29 CYS HBy 1.0 . 4.21 1207 1080 A 12 THR H A 29 CYS HBx 1.0 . 4.21 1208 1081 A 12 THR HA A 13 ASP HBy 1.0 . 5.20 1209 1081 A 12 THR HA A 13 ASP HBx 1.0 . 5.20 1210 1082 A 12 THR HB A 13 ASP HBy 1.0 . 4.49 1211 1082 A 12 THR HB A 13 ASP HBx 1.0 . 4.49 1212 1083 A 12 THR HB A 14 VAL HGy% 1.0 . 4.78 1213 1083 A 12 THR HB A 14 VAL HGx% 1.0 . 4.78 1214 1084 A 12 THR HG2% A 29 CYS HBy 1.0 . 5.34 1215 1084 A 12 THR HG2% A 29 CYS HBx 1.0 . 5.34 1216 1085 A 13 ASP H A 13 ASP HBy 1.0 . 3.08 1217 1085 A 13 ASP H A 13 ASP HBx 1.0 . 3.08 1218 1086 A 13 ASP H A 14 VAL HGy% 1.0 . 4.34 1219 1086 A 13 ASP H A 14 VAL HGx% 1.0 . 4.34 1220 1087 A 13 ASP HA A 13 ASP HBy 1.0 . 2.56 1221 1087 A 13 ASP HA A 13 ASP HBx 1.0 . 2.56 1222 1088 A 13 ASP HA A 16 LYS HGx 1.0 . 4.00 1223 1088 A 13 ASP HA A 16 LYS HGy 1.0 . 4.00 1224 1089 A 14 VAL H A 13 ASP HBy 1.0 . 3.72 1225 1089 A 14 VAL H A 13 ASP HBx 1.0 . 3.72 1226 1090 A 13 ASP HBy A 14 VAL HGy% 1.0 . 4.54 1227 1090 A 13 ASP HBx A 14 VAL HGy% 1.0 . 4.54 1228 1090 A 14 VAL HGx% A 13 ASP HBy 1.0 . 4.54 1229 1090 A 13 ASP HBx A 14 VAL HGx% 1.0 . 4.54 1230 1091 A 16 LYS H A 13 ASP HBy 1.0 . 5.33 1231 1091 A 16 LYS H A 13 ASP HBx 1.0 . 5.33 1232 1092 A 14 VAL H A 14 VAL HGy% 1.0 . 2.90 1233 1092 A 14 VAL H A 14 VAL HGx% 1.0 . 2.90 1234 1093 A 14 VAL HA A 14 VAL HGy% 1.0 . 2.97 1235 1093 A 14 VAL HA A 14 VAL HGx% 1.0 . 2.97 1236 1094 A 15 CYS HA A 14 VAL HGy% 1.0 . 4.85 1237 1094 A 15 CYS HA A 14 VAL HGx% 1.0 . 4.85 1238 1095 A 17 GLN H A 14 VAL HGy% 1.0 . 4.64 1239 1095 A 17 GLN H A 14 VAL HGx% 1.0 . 4.64 1240 1096 A 17 GLN HBx A 14 VAL HGy% 1.0 . 4.82 1241 1096 A 17 GLN HBx A 14 VAL HGx% 1.0 . 4.82 1242 1097 A 17 GLN HGy A 14 VAL HGy% 1.0 . 4.58 1243 1097 A 17 GLN HGy A 14 VAL HGx% 1.0 . 4.58 1244 1098 A 17 GLN HE2x A 14 VAL HGy% 1.0 . 3.52 1245 1098 A 17 GLN HE2x A 14 VAL HGx% 1.0 . 3.52 1246 1098 A 17 GLN HE2y A 14 VAL HGy% 1.0 . 3.52 1247 1098 A 17 GLN HE2y A 14 VAL HGx% 1.0 . 3.52 1248 1099 A 20 CYS HA A 14 VAL HGy% 1.0 . 4.74 1249 1099 A 20 CYS HA A 14 VAL HGx% 1.0 . 4.74 1250 1100 A 21 GLY H A 14 VAL HGy% 1.0 . 3.45 1251 1100 A 21 GLY H A 14 VAL HGx% 1.0 . 3.45 1252 1101 A 21 GLY HAx A 14 VAL HGy% 1.0 . 3.89 1253 1101 A 21 GLY HAx A 14 VAL HGx% 1.0 . 3.89 1254 1102 A 21 GLY HAy A 14 VAL HGy% 1.0 . 3.82 1255 1102 A 21 GLY HAy A 14 VAL HGx% 1.0 . 3.82 1256 1103 A 22 CYS H A 14 VAL HGy% 1.0 . 3.39 1257 1103 A 22 CYS H A 14 VAL HGx% 1.0 . 3.39 1258 1104 A 22 CYS HA A 14 VAL HGy% 1.0 . 3.46 1259 1104 A 22 CYS HA A 14 VAL HGx% 1.0 . 3.46 1260 1105 A 23 ALA H A 14 VAL HGy% 1.0 . 4.56 1261 1105 A 23 ALA H A 14 VAL HGx% 1.0 . 4.56 1262 1106 A 23 ALA HB% A 14 VAL HGy% 1.0 . 5.44 1263 1106 A 23 ALA HB% A 14 VAL HGx% 1.0 . 5.44 1264 1107 A 24 THR H A 14 VAL HGy% 1.0 . 4.81 1265 1107 A 24 THR H A 14 VAL HGx% 1.0 . 4.81 1266 1108 A 25 SER H A 14 VAL HGy% 1.0 . 4.15 1267 1108 A 25 SER H A 14 VAL HGx% 1.0 . 4.15 1268 1109 A 14 VAL HGy% A 25 SER HBy 1.0 . 3.32 1269 1109 A 14 VAL HGx% A 25 SER HBy 1.0 . 3.32 1270 1109 A 25 SER HBx A 14 VAL HGy% 1.0 . 3.32 1271 1109 A 14 VAL HGx% A 25 SER HBx 1.0 . 3.32 1272 1110 A 26 GLY H A 14 VAL HGy% 1.0 . 4.55 1273 1110 A 26 GLY H A 14 VAL HGx% 1.0 . 4.55 1274 1111 A 15 CYS H A 16 LYS HGx 1.0 . 4.25 1275 1111 A 15 CYS H A 16 LYS HGy 1.0 . 4.25 1276 1112 A 15 CYS H A 16 LYS HDx 1.0 . 5.34 1277 1112 A 15 CYS H A 16 LYS HDy 1.0 . 5.34 1278 1113 A 15 CYS HBx A 29 CYS HBy 1.0 . 5.34 1279 1113 A 15 CYS HBx A 29 CYS HBx 1.0 . 5.34 1280 1114 A 16 LYS H A 16 LYS HGx 1.0 . 2.92 1281 1114 A 16 LYS H A 16 LYS HGy 1.0 . 2.92 1282 1115 A 16 LYS H A 16 LYS HDx 1.0 . 3.62 1283 1115 A 16 LYS H A 16 LYS HDy 1.0 . 3.62 1284 1116 A 16 LYS HA A 16 LYS HDx 1.0 . 4.57 1285 1116 A 16 LYS HA A 16 LYS HDy 1.0 . 4.57 1286 1117 A 16 LYS HBx A 16 LYS HDx 1.0 . 3.66 1287 1117 A 16 LYS HBx A 16 LYS HDy 1.0 . 3.66 1288 1118 A 16 LYS HEy A 16 LYS HGx 1.0 . 3.27 1289 1118 A 16 LYS HEx A 16 LYS HGx 1.0 . 3.27 1290 1118 A 16 LYS HGy A 16 LYS HEx 1.0 . 3.27 1291 1118 A 16 LYS HEy A 16 LYS HGy 1.0 . 3.27 1292 1119 A 17 GLN H A 16 LYS HGx 1.0 . 4.92 1293 1119 A 17 GLN H A 16 LYS HGy 1.0 . 4.92 1294 1120 A 17 GLN HE2x A 17 GLN HBx 1.0 . 4.61 1295 1120 A 17 GLN HBx A 17 GLN HE2y 1.0 . 4.61 1296 1121 A 17 GLN HE2x A 17 GLN HBy 1.0 . 4.56 1297 1121 A 17 GLN HBy A 17 GLN HE2y 1.0 . 4.56 1298 1122 A 17 GLN HE2x A 17 GLN HGx 1.0 . 3.56 1299 1122 A 17 GLN HGx A 17 GLN HE2y 1.0 . 3.56 1300 1123 A 17 GLN HE2x A 21 GLY H 1.0 . 4.87 1301 1123 A 21 GLY H A 17 GLN HE2y 1.0 . 4.87 1302 1124 A 18 THR H A 19 PRO HDy 1.0 . 4.75 1303 1124 A 18 THR H A 19 PRO HDx 1.0 . 4.75 1304 1125 A 18 THR HA A 19 PRO HBy 1.0 . 4.08 1305 1125 A 18 THR HA A 19 PRO HBx 1.0 . 4.08 1306 1126 A 18 THR HG2% A 19 PRO HDy 1.0 . 4.79 1307 1126 A 18 THR HG2% A 19 PRO HDx 1.0 . 4.79 1308 1127 A 20 CYS H A 19 PRO HBy 1.0 . 2.91 1309 1127 A 20 CYS H A 19 PRO HBx 1.0 . 2.91 1310 1128 A 20 CYS HBx A 19 PRO HBy 1.0 . 5.32 1311 1128 A 20 CYS HBx A 19 PRO HBx 1.0 . 5.32 1312 1129 A 20 CYS H A 19 PRO HDy 1.0 . 4.96 1313 1129 A 20 CYS H A 19 PRO HDx 1.0 . 4.96 1314 1130 A 20 CYS H A 37 SER HBy 1.0 . 4.31 1315 1130 A 20 CYS H A 37 SER HBx 1.0 . 4.31 1316 1131 A 20 CYS HBy A 37 SER HBy 1.0 . 3.75 1317 1131 A 20 CYS HBy A 37 SER HBx 1.0 . 3.75 1318 1132 A 21 GLY H A 25 SER HBy 1.0 . 5.34 1319 1132 A 21 GLY H A 25 SER HBx 1.0 . 5.34 1320 1133 A 22 CYS H A 38 CYS HBy 1.0 . 4.43 1321 1133 A 22 CYS H A 38 CYS HBx 1.0 . 4.43 1322 1134 A 22 CYS HBx A 38 CYS HBy 1.0 . 4.25 1323 1134 A 22 CYS HBx A 38 CYS HBx 1.0 . 4.25 1324 1135 A 22 CYS HBy A 38 CYS HBy 1.0 . 4.50 1325 1135 A 22 CYS HBy A 38 CYS HBx 1.0 . 4.50 1326 1136 A 23 ALA H A 38 CYS HBy 1.0 . 4.69 1327 1136 A 23 ALA H A 38 CYS HBx 1.0 . 4.69 1328 1137 A 24 THR H A 25 SER HBy 1.0 . 4.27 1329 1137 A 24 THR H A 25 SER HBx 1.0 . 4.27 1330 1138 A 25 SER H A 25 SER HBy 1.0 . 3.02 1331 1138 A 25 SER H A 25 SER HBx 1.0 . 3.02 1332 1139 A 26 GLY H A 25 SER HBy 1.0 . 3.45 1333 1139 A 26 GLY H A 25 SER HBx 1.0 . 3.45 1334 1140 A 28 ASN H A 28 ASN HBy 1.0 . 3.18 1335 1140 A 28 ASN H A 28 ASN HBx 1.0 . 3.18 1336 1141 A 29 CYS H A 28 ASN HBy 1.0 . 4.14 1337 1141 A 29 CYS H A 28 ASN HBx 1.0 . 4.14 1338 1142 A 29 CYS H A 29 CYS HBy 1.0 . 2.88 1339 1142 A 29 CYS H A 29 CYS HBx 1.0 . 2.88 1340 1143 A 30 THR H A 29 CYS HBy 1.0 . 2.93 1341 1143 A 30 THR H A 29 CYS HBx 1.0 . 2.93 1342 1144 A 33 CYS H A 29 CYS HBy 1.0 . 4.44 1343 1144 A 33 CYS H A 29 CYS HBx 1.0 . 4.44 1344 1145 A 33 CYS HBx A 29 CYS HBy 1.0 . 3.62 1345 1145 A 33 CYS HBx A 29 CYS HBx 1.0 . 3.62 1346 1146 A 33 CYS HBy A 29 CYS HBy 1.0 . 5.34 1347 1146 A 33 CYS HBy A 29 CYS HBx 1.0 . 5.34 1348 1147 A 30 THR HB A 31 ASP HBy 1.0 . 4.52 1349 1147 A 30 THR HB A 31 ASP HBx 1.0 . 4.52 1350 1148 A 31 ASP H A 31 ASP HBy 1.0 . 2.95 1351 1148 A 31 ASP H A 31 ASP HBx 1.0 . 2.95 1352 1149 A 32 ASP H A 31 ASP HBy 1.0 . 4.33 1353 1149 A 32 ASP H A 31 ASP HBx 1.0 . 4.33 1354 1150 A 32 ASP HA A 31 ASP HBy 1.0 . 4.84 1355 1150 A 32 ASP HA A 31 ASP HBx 1.0 . 4.84 1356 1151 A 32 ASP H A 32 ASP HBx 1.0 . 3.15 1357 1151 A 32 ASP H A 32 ASP HBy 1.0 . 3.15 1358 1152 A 33 CYS H A 34 LYS HGx 1.0 . 5.23 1359 1152 A 33 CYS H A 34 LYS HGy 1.0 . 5.23 1360 1153 A 34 LYS H A 34 LYS HGx 1.0 . 3.29 1361 1153 A 34 LYS H A 34 LYS HGy 1.0 . 3.29 1362 1154 A 34 LYS HA A 34 LYS HGx 1.0 . 3.58 1363 1154 A 34 LYS HA A 34 LYS HGy 1.0 . 3.58 1364 1155 A 34 LYS HBy A 34 LYS HGx 1.0 . 2.62 1365 1155 A 34 LYS HBy A 34 LYS HGy 1.0 . 2.62 1366 1156 A 34 LYS HBy A 34 LYS HEx 1.0 . 5.34 1367 1156 A 34 LYS HBy A 34 LYS HEy 1.0 . 5.34 1368 1157 A 34 LYS HEy A 34 LYS HGx 1.0 . 2.98 1369 1157 A 34 LYS HEx A 34 LYS HGx 1.0 . 2.98 1370 1157 A 34 LYS HGy A 34 LYS HEx 1.0 . 2.98 1371 1157 A 34 LYS HGy A 34 LYS HEy 1.0 . 2.98 1372 1158 A 35 CYS H A 34 LYS HGx 1.0 . 5.23 1373 1158 A 35 CYS H A 34 LYS HGy 1.0 . 5.23 1374 1159 A 35 CYS H A 39 LYS HBx 1.0 . 5.07 1375 1159 A 35 CYS H A 39 LYS HBy 1.0 . 5.07 1376 1160 A 35 CYS H A 39 LYS HDy 1.0 . 4.72 1377 1160 A 35 CYS H A 39 LYS HDx 1.0 . 4.72 1378 1161 A 36 GLN H A 36 GLN HBx 1.0 . 3.11 1379 1161 A 36 GLN H A 36 GLN HBy 1.0 . 3.11 1380 1162 A 36 GLN H A 36 GLN HGx 1.0 . 3.30 1381 1162 A 36 GLN H A 36 GLN HGy 1.0 . 3.30 1382 1163 A 36 GLN H A 37 SER HBy 1.0 . 5.12 1383 1163 A 36 GLN H A 37 SER HBx 1.0 . 5.12 1384 1164 A 36 GLN HA A 36 GLN HGx 1.0 . 3.58 1385 1164 A 36 GLN HA A 36 GLN HGy 1.0 . 3.58 1386 1165 A 36 GLN HA A 36 GLN HE2x 1.0 . 4.67 1387 1165 A 36 GLN HA A 36 GLN HE2y 1.0 . 4.67 1388 1166 A 37 SER H A 36 GLN HGx 1.0 . 4.41 1389 1166 A 37 SER H A 36 GLN HGy 1.0 . 4.41 1390 1167 A 37 SER H A 37 SER HBy 1.0 . 2.85 1391 1167 A 37 SER H A 37 SER HBx 1.0 . 2.85 1392 1168 A 38 CYS H A 37 SER HBy 1.0 . 3.43 1393 1168 A 38 CYS H A 37 SER HBx 1.0 . 3.43 1394 1169 A 39 LYS H A 37 SER HBy 1.0 . 5.34 1395 1169 A 39 LYS H A 37 SER HBx 1.0 . 5.34 1396 1170 A 38 CYS H A 38 CYS HBy 1.0 . 3.23 1397 1170 A 38 CYS H A 38 CYS HBx 1.0 . 3.23 1398 1171 A 38 CYS H A 39 LYS HBx 1.0 . 4.26 1399 1171 A 38 CYS H A 39 LYS HBy 1.0 . 4.26 1400 1172 A 38 CYS H A 39 LYS HDy 1.0 . 4.52 1401 1172 A 38 CYS H A 39 LYS HDx 1.0 . 4.52 1402 1173 A 39 LYS H A 38 CYS HBy 1.0 . 4.47 1403 1173 A 39 LYS H A 38 CYS HBx 1.0 . 4.47 1404 1174 A 39 LYS H A 39 LYS HBx 1.0 . 2.99 1405 1174 A 39 LYS H A 39 LYS HBy 1.0 . 2.99 1406 1175 A 39 LYS H A 39 LYS HDy 1.0 . 3.98 1407 1175 A 39 LYS H A 39 LYS HDx 1.0 . 3.98 1408 1176 A 39 LYS H A 40 TYR HBy 1.0 . 5.34 1409 1176 A 39 LYS H A 40 TYR HBx 1.0 . 5.34 1410 1177 A 39 LYS HA A 39 LYS HDy 1.0 . 3.78 1411 1177 A 39 LYS HA A 39 LYS HDx 1.0 . 3.78 1412 1178 A 39 LYS HBx A 39 LYS HEx 1.0 . 5.04 1413 1178 A 39 LYS HEy A 39 LYS HBx 1.0 . 5.04 1414 1178 A 39 LYS HEy A 39 LYS HBy 1.0 . 5.04 1415 1178 A 39 LYS HBy A 39 LYS HEx 1.0 . 5.04 1416 1179 A 40 TYR H A 39 LYS HBx 1.0 . 4.38 1417 1179 A 40 TYR H A 39 LYS HBy 1.0 . 4.38 1418 1180 A 40 TYR H A 40 TYR HBy 1.0 . 2.98 1419 1180 A 40 TYR H A 40 TYR HBx 1.0 . 2.98 1420 1181 A 41 GLY H A 40 TYR HBy 1.0 . 3.22 1421 1181 A 41 GLY H A 40 TYR HBx 1.0 . 3.22 1422 1182 A 41 GLY HAy A 40 TYR HBy 1.0 . 5.34 1423 1182 A 41 GLY HAy A 40 TYR HBx 1.0 . 5.34 1424 1183 A 44 CYS HBx A 40 TYR HBy 1.0 . 3.82 1425 1183 A 44 CYS HBx A 40 TYR HBx 1.0 . 3.82 1426 1184 A 42 ALA H A 64 ASP HBy 1.0 . 5.34 1427 1184 A 42 ALA H A 64 ASP HBx 1.0 . 5.34 1428 1185 A 43 GLY H A 64 ASP HBy 1.0 . 4.21 1429 1185 A 43 GLY H A 64 ASP HBx 1.0 . 4.21 1430 1186 A 45 THR H A 49 LYS HDy 1.0 . 5.32 1431 1186 A 45 THR H A 49 LYS HDx 1.0 . 5.32 1432 1187 A 45 THR HA A 46 ASP HBx 1.0 . 5.34 1433 1187 A 45 THR HA A 46 ASP HBy 1.0 . 5.34 1434 1188 A 45 THR HG2% A 60 ASN HBy 1.0 . 3.17 1435 1188 A 45 THR HG2% A 60 ASN HBx 1.0 . 3.17 1436 1189 A 45 THR HG2% A 60 ASN HD2y 1.0 . 5.34 1437 1189 A 45 THR HG2% A 60 ASN HD2x 1.0 . 5.34 1438 1190 A 46 ASP H A 46 ASP HBx 1.0 . 3.67 1439 1190 A 46 ASP H A 46 ASP HBy 1.0 . 3.67 1440 1191 A 46 ASP H A 49 LYS HDy 1.0 . 5.00 1441 1191 A 46 ASP H A 49 LYS HDx 1.0 . 5.00 1442 1192 A 46 ASP HA A 49 LYS HBy 1.0 . 4.55 1443 1192 A 46 ASP HA A 49 LYS HBx 1.0 . 4.55 1444 1193 A 46 ASP HA A 49 LYS HGx 1.0 . 5.28 1445 1193 A 46 ASP HA A 49 LYS HGy 1.0 . 5.28 1446 1194 A 46 ASP HA A 49 LYS HDy 1.0 . 3.43 1447 1194 A 46 ASP HA A 49 LYS HDx 1.0 . 3.43 1448 1195 A 47 THR H A 50 GLN HGx 1.0 . 5.23 1449 1195 A 47 THR H A 50 GLN HGy 1.0 . 5.23 1450 1196 A 47 THR HA A 50 GLN HGx 1.0 . 3.50 1451 1196 A 47 THR HA A 50 GLN HGy 1.0 . 3.50 1452 1197 A 48 CYS H A 49 LYS HGx 1.0 . 4.31 1453 1197 A 48 CYS H A 49 LYS HGy 1.0 . 4.31 1454 1198 A 49 LYS H A 49 LYS HBy 1.0 . 3.18 1455 1198 A 49 LYS H A 49 LYS HBx 1.0 . 3.18 1456 1199 A 49 LYS H A 49 LYS HGx 1.0 . 2.94 1457 1199 A 49 LYS H A 49 LYS HGy 1.0 . 2.94 1458 1200 A 49 LYS H A 49 LYS HDy 1.0 . 3.62 1459 1200 A 49 LYS H A 49 LYS HDx 1.0 . 3.62 1460 1201 A 49 LYS H A 50 GLN HGx 1.0 . 4.77 1461 1201 A 49 LYS H A 50 GLN HGy 1.0 . 4.77 1462 1202 A 49 LYS HA A 49 LYS HGx 1.0 . 3.73 1463 1202 A 49 LYS HA A 49 LYS HGy 1.0 . 3.73 1464 1203 A 49 LYS HA A 49 LYS HDy 1.0 . 4.65 1465 1203 A 49 LYS HA A 49 LYS HDx 1.0 . 4.65 1466 1204 A 49 LYS HBy A 49 LYS HDy 1.0 . 2.51 1467 1204 A 49 LYS HBx A 49 LYS HDy 1.0 . 2.51 1468 1204 A 49 LYS HDx A 49 LYS HBy 1.0 . 2.51 1469 1204 A 49 LYS HDx A 49 LYS HBx 1.0 . 2.51 1470 1205 A 49 LYS HBx A 49 LYS HEx 1.0 . 4.00 1471 1205 A 49 LYS HBy A 49 LYS HEx 1.0 . 4.00 1472 1205 A 49 LYS HEy A 49 LYS HBy 1.0 . 4.00 1473 1205 A 49 LYS HEy A 49 LYS HBx 1.0 . 4.00 1474 1206 A 50 GLN H A 49 LYS HBy 1.0 . 3.99 1475 1206 A 50 GLN H A 49 LYS HBx 1.0 . 3.99 1476 1207 A 50 GLN H A 49 LYS HGx 1.0 . 5.13 1477 1207 A 50 GLN H A 49 LYS HGy 1.0 . 5.13 1478 1208 A 50 GLN HE2x A 49 LYS HGx 1.0 . 5.34 1479 1208 A 50 GLN HE2x A 49 LYS HGy 1.0 . 5.34 1480 1209 A 50 GLN H A 49 LYS HDy 1.0 . 5.34 1481 1209 A 50 GLN H A 49 LYS HDx 1.0 . 5.34 1482 1210 A 50 GLN H A 50 GLN HGx 1.0 . 2.74 1483 1210 A 50 GLN H A 50 GLN HGy 1.0 . 2.74 1484 1211 A 50 GLN HA A 50 GLN HGx 1.0 . 3.61 1485 1211 A 50 GLN HA A 50 GLN HGy 1.0 . 3.61 1486 1212 A 50 GLN HE2y A 50 GLN HGx 1.0 . 3.57 1487 1212 A 50 GLN HE2y A 50 GLN HGy 1.0 . 3.57 1488 1213 A 51 THR H A 50 GLN HGx 1.0 . 4.41 1489 1213 A 51 THR H A 50 GLN HGy 1.0 . 4.41 1490 1214 A 54 GLY H A 50 GLN HGx 1.0 . 3.79 1491 1214 A 54 GLY H A 50 GLN HGy 1.0 . 3.79 1492 1215 A 53 CYS H A 52 PRO HGy 1.0 . 3.67 1493 1215 A 53 CYS H A 52 PRO HGx 1.0 . 3.67 1494 1216 A 53 CYS H A 52 PRO HDy 1.0 . 4.02 1495 1216 A 53 CYS H A 52 PRO HDx 1.0 . 4.02 1496 1217 A 53 CYS HBx A 69 SER HBy 1.0 . 3.50 1497 1217 A 53 CYS HBx A 69 SER HBx 1.0 . 3.50 1498 1218 A 53 CYS HBy A 69 SER HBy 1.0 . 3.94 1499 1218 A 53 CYS HBy A 69 SER HBx 1.0 . 3.94 1500 1219 A 55 CYS H A 56 GLY HAx 1.0 . 5.34 1501 1219 A 55 CYS H A 56 GLY HAy 1.0 . 5.34 1502 1220 A 55 CYS H A 59 CYS HBy 1.0 . 5.34 1503 1220 A 55 CYS H A 59 CYS HBx 1.0 . 5.34 1504 1221 A 55 CYS HBx A 56 GLY HAx 1.0 . 4.58 1505 1221 A 55 CYS HBy A 56 GLY HAx 1.0 . 4.58 1506 1221 A 56 GLY HAy A 55 CYS HBx 1.0 . 4.58 1507 1221 A 55 CYS HBy A 56 GLY HAy 1.0 . 4.58 1508 1222 A 56 GLY H A 59 CYS HBy 1.0 . 5.34 1509 1222 A 56 GLY H A 59 CYS HBx 1.0 . 5.34 1510 1223 A 58 GLY H A 56 GLY HAx 1.0 . 4.82 1511 1223 A 58 GLY H A 56 GLY HAy 1.0 . 4.82 1512 1224 A 58 GLY H A 57 SER HBx 1.0 . 4.32 1513 1224 A 58 GLY H A 57 SER HBy 1.0 . 4.32 1514 1225 A 58 GLY H A 59 CYS HBy 1.0 . 4.66 1515 1225 A 58 GLY H A 59 CYS HBx 1.0 . 4.66 1516 1226 A 59 CYS H A 58 GLY HAx 1.0 . 2.98 1517 1226 A 59 CYS H A 58 GLY HAy 1.0 . 2.98 1518 1227 A 59 CYS H A 59 CYS HBy 1.0 . 2.64 1519 1227 A 59 CYS H A 59 CYS HBx 1.0 . 2.64 1520 1228 A 60 ASN H A 60 ASN HBy 1.0 . 3.20 1521 1228 A 60 ASN H A 60 ASN HBx 1.0 . 3.20 1522 1229 A 60 ASN H A 60 ASN HD2y 1.0 . 5.20 1523 1229 A 60 ASN H A 60 ASN HD2x 1.0 . 5.20 1524 1230 A 61 CYS H A 60 ASN HBy 1.0 . 4.22 1525 1230 A 61 CYS H A 60 ASN HBx 1.0 . 4.22 1526 1231 A 61 CYS H A 60 ASN HD2y 1.0 . 5.34 1527 1231 A 61 CYS H A 60 ASN HD2x 1.0 . 5.34 1528 1232 A 62 LYS H A 63 GLU HBy 1.0 . 5.34 1529 1232 A 62 LYS H A 63 GLU HBx 1.0 . 5.34 1530 1233 A 62 LYS H A 97 ARG HDx 1.0 . 5.34 1531 1233 A 62 LYS H A 97 ARG HDy 1.0 . 5.34 1532 1234 A 62 LYS HA A 63 GLU HBy 1.0 . 4.75 1533 1234 A 62 LYS HA A 63 GLU HBx 1.0 . 4.75 1534 1235 A 63 GLU H A 63 GLU HBy 1.0 . 3.09 1535 1235 A 63 GLU H A 63 GLU HBx 1.0 . 3.09 1536 1236 A 63 GLU H A 64 ASP HBy 1.0 . 4.90 1537 1236 A 63 GLU H A 64 ASP HBx 1.0 . 4.90 1538 1237 A 63 GLU H A 97 ARG HDx 1.0 . 5.23 1539 1237 A 63 GLU H A 97 ARG HDy 1.0 . 5.23 1540 1238 A 63 GLU HA A 97 ARG HGx 1.0 . 4.55 1541 1238 A 63 GLU HA A 97 ARG HGy 1.0 . 4.55 1542 1239 A 63 GLU HA A 97 ARG HDx 1.0 . 3.63 1543 1239 A 63 GLU HA A 97 ARG HDy 1.0 . 3.63 1544 1240 A 64 ASP H A 63 GLU HBy 1.0 . 3.23 1545 1240 A 64 ASP H A 63 GLU HBx 1.0 . 3.23 1546 1241 A 64 ASP H A 64 ASP HBy 1.0 . 2.80 1547 1241 A 64 ASP H A 64 ASP HBx 1.0 . 2.80 1548 1242 A 64 ASP H A 97 ARG HGx 1.0 . 5.34 1549 1242 A 64 ASP H A 97 ARG HGy 1.0 . 5.34 1550 1243 A 64 ASP HA A 96 ASP HBy 1.0 . 3.67 1551 1243 A 64 ASP HA A 96 ASP HBx 1.0 . 3.67 1552 1244 A 65 CYS H A 64 ASP HBy 1.0 . 4.47 1553 1244 A 65 CYS H A 64 ASP HBx 1.0 . 4.47 1554 1245 A 65 CYS H A 96 ASP HBy 1.0 . 4.94 1555 1245 A 65 CYS H A 96 ASP HBx 1.0 . 4.94 1556 1246 A 65 CYS H A 97 ARG HGx 1.0 . 3.85 1557 1246 A 65 CYS H A 97 ARG HGy 1.0 . 3.85 1558 1247 A 65 CYS H A 97 ARG HDx 1.0 . 3.48 1559 1247 A 65 CYS H A 97 ARG HDy 1.0 . 3.48 1560 1248 A 65 CYS H A 98 SER HBy 1.0 . 5.34 1561 1248 A 65 CYS H A 98 SER HBx 1.0 . 5.34 1562 1249 A 66 ARG H A 66 ARG HBy 1.0 . 3.65 1563 1249 A 66 ARG H A 66 ARG HBx 1.0 . 3.65 1564 1250 A 66 ARG H A 66 ARG HGx 1.0 . 3.56 1565 1250 A 66 ARG H A 66 ARG HGy 1.0 . 3.56 1566 1251 A 66 ARG H A 66 ARG HDx 1.0 . 4.75 1567 1251 A 66 ARG H A 66 ARG HDy 1.0 . 4.75 1568 1252 A 66 ARG HBy A 66 ARG HDx 1.0 . 3.03 1569 1252 A 66 ARG HBx A 66 ARG HDx 1.0 . 3.03 1570 1252 A 66 ARG HDy A 66 ARG HBy 1.0 . 3.03 1571 1252 A 66 ARG HBx A 66 ARG HDy 1.0 . 3.03 1572 1253 A 67 CYS H A 66 ARG HBy 1.0 . 3.97 1573 1253 A 67 CYS H A 66 ARG HBx 1.0 . 3.97 1574 1254 A 96 ASP H A 66 ARG HBy 1.0 . 5.34 1575 1254 A 96 ASP H A 66 ARG HBx 1.0 . 5.34 1576 1255 A 96 ASP HA A 66 ARG HBy 1.0 . 4.97 1577 1255 A 96 ASP HA A 66 ARG HBx 1.0 . 4.97 1578 1256 A 67 CYS H A 66 ARG HGx 1.0 . 5.34 1579 1256 A 67 CYS H A 66 ARG HGy 1.0 . 5.34 1580 1257 A 96 ASP H A 66 ARG HGx 1.0 . 4.13 1581 1257 A 96 ASP H A 66 ARG HGy 1.0 . 4.13 1582 1258 A 96 ASP HA A 66 ARG HGx 1.0 . 4.15 1583 1258 A 96 ASP HA A 66 ARG HGy 1.0 . 4.15 1584 1259 A 66 ARG HGx A 96 ASP HBy 1.0 . 4.22 1585 1259 A 66 ARG HGy A 96 ASP HBy 1.0 . 4.22 1586 1259 A 96 ASP HBx A 66 ARG HGx 1.0 . 4.22 1587 1259 A 96 ASP HBx A 66 ARG HGy 1.0 . 4.22 1588 1260 A 68 GLN H A 68 GLN HBx 1.0 . 3.59 1589 1260 A 68 GLN H A 68 GLN HBy 1.0 . 3.59 1590 1261 A 68 GLN H A 69 SER HBy 1.0 . 4.43 1591 1261 A 68 GLN H A 69 SER HBx 1.0 . 4.43 1592 1262 A 68 GLN H A 71 SER HBy 1.0 . 5.05 1593 1262 A 68 GLN H A 71 SER HBx 1.0 . 5.05 1594 1263 A 68 GLN HA A 71 SER HBy 1.0 . 3.45 1595 1263 A 68 GLN HA A 71 SER HBx 1.0 . 3.45 1596 1264 A 68 GLN HE2x A 68 GLN HBx 1.0 . 4.92 1597 1264 A 68 GLN HE2x A 68 GLN HBy 1.0 . 4.92 1598 1265 A 69 SER H A 68 GLN HBx 1.0 . 4.43 1599 1265 A 69 SER H A 68 GLN HBy 1.0 . 4.43 1600 1266 A 95 CYS H A 68 GLN HBx 1.0 . 5.18 1601 1266 A 95 CYS H A 68 GLN HBy 1.0 . 5.18 1602 1267 A 69 SER H A 69 SER HBy 1.0 . 2.77 1603 1267 A 69 SER H A 69 SER HBx 1.0 . 2.77 1604 1268 A 69 SER H A 71 SER HBy 1.0 . 5.04 1605 1268 A 69 SER H A 71 SER HBx 1.0 . 5.04 1606 1269 A 70 CYS H A 69 SER HBy 1.0 . 3.58 1607 1269 A 70 CYS H A 69 SER HBx 1.0 . 3.58 1608 1270 A 70 CYS HBy A 69 SER HBy 1.0 . 4.44 1609 1270 A 70 CYS HBy A 69 SER HBx 1.0 . 4.44 1610 1271 A 70 CYS H A 71 SER HBy 1.0 . 4.29 1611 1271 A 70 CYS H A 71 SER HBx 1.0 . 4.29 1612 1272 A 71 SER H A 71 SER HBy 1.0 . 2.92 1613 1272 A 71 SER H A 71 SER HBx 1.0 . 2.92 1614 1273 A 72 THR H A 71 SER HBy 1.0 . 3.05 1615 1273 A 72 THR H A 71 SER HBx 1.0 . 3.05 1616 1274 A 72 THR H A 102 LYS HDy 1.0 . 5.34 1617 1274 A 72 THR H A 102 LYS HDx 1.0 . 5.34 1618 1275 A 72 THR H A 102 LYS HEx 1.0 . 5.34 1619 1275 A 72 THR H A 102 LYS HEy 1.0 . 5.34 1620 1276 A 73 ALA HA A 90 PRO HDy 1.0 . 5.12 1621 1276 A 73 ALA HA A 90 PRO HDx 1.0 . 5.12 1622 1277 A 73 ALA HB% A 90 PRO HBy 1.0 . 4.22 1623 1277 A 73 ALA HB% A 90 PRO HBx 1.0 . 4.22 1624 1278 A 73 ALA HB% A 90 PRO HDy 1.0 . 5.11 1625 1278 A 73 ALA HB% A 90 PRO HDx 1.0 . 5.11 1626 1279 A 74 CYS H A 90 PRO HBy 1.0 . 3.75 1627 1279 A 74 CYS H A 90 PRO HBx 1.0 . 3.75 1628 1280 A 74 CYS HA A 75 LYS HBy 1.0 . 4.56 1629 1280 A 74 CYS HA A 75 LYS HBx 1.0 . 4.56 1630 1281 A 74 CYS HA A 75 LYS HGx 1.0 . 4.55 1631 1281 A 74 CYS HA A 75 LYS HGy 1.0 . 4.55 1632 1282 A 74 CYS HA A 102 LYS HGx 1.0 . 4.76 1633 1282 A 74 CYS HA A 102 LYS HGy 1.0 . 4.76 1634 1283 A 74 CYS HA A 102 LYS HDy 1.0 . 4.56 1635 1283 A 74 CYS HA A 102 LYS HDx 1.0 . 4.56 1636 1284 A 74 CYS HA A 102 LYS HEx 1.0 . 3.86 1637 1284 A 74 CYS HA A 102 LYS HEy 1.0 . 3.86 1638 1285 A 75 LYS H A 75 LYS HBy 1.0 . 2.75 1639 1285 A 75 LYS H A 75 LYS HBx 1.0 . 2.75 1640 1286 A 75 LYS H A 75 LYS HGx 1.0 . 3.28 1641 1286 A 75 LYS H A 75 LYS HGy 1.0 . 3.28 1642 1287 A 75 LYS H A 102 LYS HGx 1.0 . 5.34 1643 1287 A 75 LYS H A 102 LYS HGy 1.0 . 5.34 1644 1288 A 75 LYS H A 102 LYS HDy 1.0 . 5.34 1645 1288 A 75 LYS H A 102 LYS HDx 1.0 . 5.34 1646 1289 A 75 LYS H A 102 LYS HEx 1.0 . 4.47 1647 1289 A 75 LYS H A 102 LYS HEy 1.0 . 4.47 1648 1290 A 75 LYS HA A 75 LYS HGx 1.0 . 3.73 1649 1290 A 75 LYS HA A 75 LYS HGy 1.0 . 3.73 1650 1291 A 75 LYS HBy A 75 LYS HEx 1.0 . 5.08 1651 1291 A 75 LYS HBx A 75 LYS HEx 1.0 . 5.08 1652 1291 A 75 LYS HEy A 75 LYS HBy 1.0 . 5.08 1653 1291 A 75 LYS HEy A 75 LYS HBx 1.0 . 5.08 1654 1292 A 76 CYS H A 75 LYS HGx 1.0 . 5.27 1655 1292 A 76 CYS H A 75 LYS HGy 1.0 . 5.27 1656 1293 A 76 CYS H A 76 CYS HBy 1.0 . 2.84 1657 1293 A 76 CYS H A 76 CYS HBx 1.0 . 2.84 1658 1294 A 77 ALA H A 76 CYS HBy 1.0 . 3.29 1659 1294 A 77 ALA H A 76 CYS HBx 1.0 . 3.29 1660 1295 A 80 SER H A 76 CYS HBy 1.0 . 5.07 1661 1295 A 80 SER H A 76 CYS HBx 1.0 . 5.07 1662 1296 A 81 CYS H A 76 CYS HBy 1.0 . 4.48 1663 1296 A 81 CYS H A 76 CYS HBx 1.0 . 4.48 1664 1297 A 81 CYS HA A 76 CYS HBy 1.0 . 3.55 1665 1297 A 81 CYS HA A 76 CYS HBx 1.0 . 3.55 1666 1298 A 87 CYS H A 76 CYS HBy 1.0 . 5.33 1667 1298 A 87 CYS H A 76 CYS HBx 1.0 . 5.33 1668 1299 A 88 THR HG2% A 76 CYS HBy 1.0 . 4.90 1669 1299 A 88 THR HG2% A 76 CYS HBx 1.0 . 4.90 1670 1300 A 89 GLY H A 76 CYS HBy 1.0 . 3.05 1671 1300 A 89 GLY H A 76 CYS HBx 1.0 . 3.05 1672 1301 A 77 ALA H A 79 GLY HAx 1.0 . 5.34 1673 1301 A 77 ALA H A 79 GLY HAy 1.0 . 5.34 1674 1302 A 77 ALA H A 80 SER HBy 1.0 . 3.39 1675 1302 A 77 ALA H A 80 SER HBx 1.0 . 3.39 1676 1303 A 77 ALA H A 81 CYS HBy 1.0 . 5.16 1677 1303 A 77 ALA H A 81 CYS HBx 1.0 . 5.16 1678 1304 A 77 ALA HB% A 80 SER HBy 1.0 . 3.85 1679 1304 A 77 ALA HB% A 80 SER HBx 1.0 . 3.85 1680 1305 A 77 ALA HB% A 90 PRO HDy 1.0 . 5.35 1681 1305 A 77 ALA HB% A 90 PRO HDx 1.0 . 5.35 1682 1306 A 78 ALA HB% A 79 GLY HAx 1.0 . 4.77 1683 1306 A 78 ALA HB% A 79 GLY HAy 1.0 . 4.77 1684 1307 A 78 ALA HB% A 80 SER HBy 1.0 . 4.84 1685 1307 A 78 ALA HB% A 80 SER HBx 1.0 . 4.84 1686 1308 A 88 THR HG2% A 79 GLY HAx 1.0 . 5.04 1687 1308 A 88 THR HG2% A 79 GLY HAy 1.0 . 5.04 1688 1309 A 80 SER H A 81 CYS HBy 1.0 . 4.41 1689 1309 A 80 SER H A 81 CYS HBx 1.0 . 4.41 1690 1310 A 81 CYS H A 80 SER HBy 1.0 . 3.77 1691 1310 A 81 CYS H A 80 SER HBx 1.0 . 3.77 1692 1311 A 88 THR HB A 80 SER HBy 1.0 . 5.34 1693 1311 A 88 THR HB A 80 SER HBx 1.0 . 5.34 1694 1312 A 83 CYS H A 81 CYS HBy 1.0 . 4.28 1695 1312 A 83 CYS H A 81 CYS HBx 1.0 . 4.28 1696 1313 A 84 GLY H A 81 CYS HBy 1.0 . 4.82 1697 1313 A 84 GLY H A 81 CYS HBx 1.0 . 4.82 1698 1314 A 87 CYS H A 81 CYS HBy 1.0 . 4.06 1699 1314 A 87 CYS H A 81 CYS HBx 1.0 . 4.06 1700 1315 A 88 THR HG2% A 81 CYS HBy 1.0 . 3.81 1701 1315 A 88 THR HG2% A 81 CYS HBx 1.0 . 3.81 1702 1316 A 89 GLY H A 81 CYS HBy 1.0 . 5.34 1703 1316 A 89 GLY H A 81 CYS HBx 1.0 . 5.34 1704 1317 A 82 LYS HBy A 82 LYS HDx 1.0 . 3.41 1705 1317 A 82 LYS HDy A 82 LYS HBx 1.0 . 3.41 1706 1317 A 82 LYS HDy A 82 LYS HBy 1.0 . 3.41 1707 1317 A 82 LYS HBx A 82 LYS HDx 1.0 . 3.41 1708 1318 A 82 LYS HEx A 82 LYS HGx 1.0 . 3.16 1709 1318 A 82 LYS HEy A 82 LYS HGx 1.0 . 3.16 1710 1318 A 82 LYS HGy A 82 LYS HEx 1.0 . 3.16 1711 1318 A 82 LYS HEy A 82 LYS HGy 1.0 . 3.16 1712 1319 A 83 CYS H A 82 LYS HGx 1.0 . 3.80 1713 1319 A 83 CYS H A 82 LYS HGy 1.0 . 3.80 1714 1320 A 101 CYS H A 82 LYS HGx 1.0 . 5.34 1715 1320 A 101 CYS H A 82 LYS HGy 1.0 . 5.34 1716 1321 A 82 LYS HGx A 101 CYS HBy 1.0 . 5.18 1717 1321 A 82 LYS HGy A 101 CYS HBy 1.0 . 5.18 1718 1321 A 101 CYS HBx A 82 LYS HGx 1.0 . 5.18 1719 1321 A 82 LYS HGy A 101 CYS HBx 1.0 . 5.18 1720 1322 A 83 CYS H A 83 CYS HBy 1.0 . 3.21 1721 1322 A 83 CYS H A 83 CYS HBx 1.0 . 3.21 1722 1323 A 83 CYS H A 84 GLY HAy 1.0 . 4.36 1723 1323 A 83 CYS H A 84 GLY HAx 1.0 . 4.36 1724 1324 A 84 GLY H A 83 CYS HBy 1.0 . 4.04 1725 1324 A 84 GLY H A 83 CYS HBx 1.0 . 4.04 1726 1325 A 85 LYS H A 83 CYS HBy 1.0 . 5.34 1727 1325 A 85 LYS H A 83 CYS HBx 1.0 . 5.34 1728 1326 A 100 SER H A 83 CYS HBy 1.0 . 3.61 1729 1326 A 100 SER H A 83 CYS HBx 1.0 . 3.61 1730 1327 A 100 SER HA A 83 CYS HBy 1.0 . 5.34 1731 1327 A 100 SER HA A 83 CYS HBx 1.0 . 5.34 1732 1328 A 101 CYS H A 83 CYS HBy 1.0 . 3.35 1733 1328 A 101 CYS H A 83 CYS HBx 1.0 . 3.35 1734 1329 A 83 CYS HBy A 101 CYS HBy 1.0 . 4.39 1735 1329 A 83 CYS HBx A 101 CYS HBy 1.0 . 4.39 1736 1329 A 101 CYS HBx A 83 CYS HBy 1.0 . 4.39 1737 1329 A 101 CYS HBx A 83 CYS HBx 1.0 . 4.39 1738 1330 A 102 LYS H A 83 CYS HBy 1.0 . 5.34 1739 1330 A 102 LYS H A 83 CYS HBx 1.0 . 5.34 1740 1331 A 84 GLY H A 84 GLY HAy 1.0 . 2.53 1741 1331 A 84 GLY H A 84 GLY HAx 1.0 . 2.53 1742 1332 A 86 GLY H A 84 GLY HAy 1.0 . 4.22 1743 1332 A 86 GLY H A 84 GLY HAx 1.0 . 4.22 1744 1333 A 87 CYS H A 87 CYS HBy 1.0 . 3.07 1745 1333 A 87 CYS H A 87 CYS HBx 1.0 . 3.07 1746 1334 A 87 CYS HA A 92 SER HBy 1.0 . 4.14 1747 1334 A 87 CYS HA A 92 SER HBx 1.0 . 4.14 1748 1335 A 88 THR H A 87 CYS HBy 1.0 . 3.58 1749 1335 A 88 THR H A 87 CYS HBx 1.0 . 3.58 1750 1336 A 89 GLY H A 87 CYS HBy 1.0 . 3.77 1751 1336 A 89 GLY H A 87 CYS HBx 1.0 . 3.77 1752 1337 A 92 SER H A 87 CYS HBy 1.0 . 4.55 1753 1337 A 92 SER H A 87 CYS HBx 1.0 . 4.55 1754 1338 A 93 CYS H A 87 CYS HBy 1.0 . 3.80 1755 1338 A 93 CYS H A 87 CYS HBx 1.0 . 3.80 1756 1339 A 93 CYS HA A 87 CYS HBy 1.0 . 3.34 1757 1339 A 93 CYS HA A 87 CYS HBx 1.0 . 3.34 1758 1340 A 87 CYS HBy A 93 CYS HBx 1.0 . 4.51 1759 1340 A 87 CYS HBx A 93 CYS HBx 1.0 . 4.51 1760 1340 A 93 CYS HBy A 87 CYS HBy 1.0 . 4.51 1761 1340 A 93 CYS HBy A 87 CYS HBx 1.0 . 4.51 1762 1341 A 94 LYS H A 87 CYS HBy 1.0 . 3.73 1763 1341 A 94 LYS H A 87 CYS HBx 1.0 . 3.73 1764 1342 A 88 THR H A 92 SER HBy 1.0 . 5.34 1765 1342 A 88 THR H A 92 SER HBx 1.0 . 5.34 1766 1343 A 89 GLY H A 92 SER HBy 1.0 . 5.32 1767 1343 A 89 GLY H A 92 SER HBx 1.0 . 5.32 1768 1344 A 91 ASP H A 90 PRO HBy 1.0 . 3.61 1769 1344 A 91 ASP H A 90 PRO HBx 1.0 . 3.61 1770 1345 A 92 SER H A 90 PRO HBy 1.0 . 5.07 1771 1345 A 92 SER H A 90 PRO HBx 1.0 . 5.07 1772 1346 A 91 ASP H A 90 PRO HDy 1.0 . 3.30 1773 1346 A 91 ASP H A 90 PRO HDx 1.0 . 3.30 1774 1347 A 91 ASP H A 91 ASP HBy 1.0 . 2.89 1775 1347 A 91 ASP H A 91 ASP HBx 1.0 . 2.89 1776 1348 A 91 ASP H A 92 SER HBy 1.0 . 5.34 1777 1348 A 91 ASP H A 92 SER HBx 1.0 . 5.34 1778 1349 A 92 SER H A 91 ASP HBy 1.0 . 3.50 1779 1349 A 92 SER H A 91 ASP HBx 1.0 . 3.50 1780 1350 A 92 SER H A 92 SER HBy 1.0 . 3.31 1781 1350 A 92 SER H A 92 SER HBx 1.0 . 3.31 1782 1351 A 93 CYS H A 92 SER HBy 1.0 . 4.00 1783 1351 A 93 CYS H A 92 SER HBx 1.0 . 4.00 1784 1352 A 94 LYS H A 94 LYS HBy 1.0 . 3.09 1785 1352 A 94 LYS H A 94 LYS HBx 1.0 . 3.09 1786 1353 A 94 LYS H A 95 CYS HBy 1.0 . 5.03 1787 1353 A 94 LYS H A 95 CYS HBx 1.0 . 5.03 1788 1354 A 95 CYS H A 94 LYS HBy 1.0 . 3.93 1789 1354 A 95 CYS H A 94 LYS HBx 1.0 . 3.93 1790 1355 A 95 CYS H A 95 CYS HBy 1.0 . 3.28 1791 1355 A 95 CYS H A 95 CYS HBx 1.0 . 3.28 1792 1356 A 96 ASP H A 95 CYS HBy 1.0 . 2.78 1793 1356 A 96 ASP H A 95 CYS HBx 1.0 . 2.78 1794 1357 A 99 CYS H A 95 CYS HBy 1.0 . 5.34 1795 1357 A 99 CYS H A 95 CYS HBx 1.0 . 5.34 1796 1358 A 95 CYS HBy A 99 CYS HBy 1.0 . 4.13 1797 1358 A 95 CYS HBx A 99 CYS HBy 1.0 . 4.13 1798 1358 A 99 CYS HBx A 95 CYS HBy 1.0 . 4.13 1799 1358 A 95 CYS HBx A 99 CYS HBx 1.0 . 4.13 1800 1359 A 96 ASP H A 96 ASP HBy 1.0 . 3.12 1801 1359 A 96 ASP H A 96 ASP HBx 1.0 . 3.12 1802 1360 A 96 ASP H A 99 CYS HBy 1.0 . 3.88 1803 1360 A 96 ASP H A 99 CYS HBx 1.0 . 3.88 1804 1361 A 97 ARG H A 96 ASP HBy 1.0 . 2.82 1805 1361 A 97 ARG H A 96 ASP HBx 1.0 . 2.82 1806 1362 A 96 ASP HBy A 97 ARG HGx 1.0 . 4.47 1807 1362 A 96 ASP HBx A 97 ARG HGx 1.0 . 4.47 1808 1362 A 97 ARG HGy A 96 ASP HBy 1.0 . 4.47 1809 1362 A 97 ARG HGy A 96 ASP HBx 1.0 . 4.47 1810 1363 A 98 SER H A 96 ASP HBy 1.0 . 3.35 1811 1363 A 98 SER H A 96 ASP HBx 1.0 . 3.35 1812 1364 A 97 ARG H A 97 ARG HGx 1.0 . 2.90 1813 1364 A 97 ARG H A 97 ARG HGy 1.0 . 2.90 1814 1365 A 97 ARG H A 97 ARG HDx 1.0 . 4.42 1815 1365 A 97 ARG H A 97 ARG HDy 1.0 . 4.42 1816 1366 A 97 ARG HA A 97 ARG HGx 1.0 . 3.36 1817 1366 A 97 ARG HA A 97 ARG HGy 1.0 . 3.36 1818 1367 A 97 ARG HA A 102 LYS HGx 1.0 . 3.05 1819 1367 A 97 ARG HA A 102 LYS HGy 1.0 . 3.05 1820 1368 A 97 ARG HA A 102 LYS HDy 1.0 . 3.97 1821 1368 A 97 ARG HA A 102 LYS HDx 1.0 . 3.97 1822 1369 A 97 ARG HBx A 97 ARG HDx 1.0 . 3.47 1823 1369 A 97 ARG HBy A 97 ARG HDx 1.0 . 3.47 1824 1369 A 97 ARG HDy A 97 ARG HBx 1.0 . 3.47 1825 1369 A 97 ARG HBy A 97 ARG HDy 1.0 . 3.47 1826 1370 A 97 ARG HBy A 98 SER HBy 1.0 . 4.43 1827 1370 A 98 SER HBx A 97 ARG HBx 1.0 . 4.43 1828 1370 A 97 ARG HBy A 98 SER HBx 1.0 . 4.43 1829 1370 A 97 ARG HBx A 98 SER HBy 1.0 . 4.43 1830 1371 A 98 SER H A 97 ARG HGx 1.0 . 4.00 1831 1371 A 98 SER H A 97 ARG HGy 1.0 . 4.00 1832 1372 A 98 SER H A 98 SER HBy 1.0 . 3.19 1833 1372 A 98 SER H A 98 SER HBx 1.0 . 3.19 1834 1373 A 98 SER H A 99 CYS HBy 1.0 . 4.02 1835 1373 A 98 SER H A 99 CYS HBx 1.0 . 4.02 1836 1374 A 99 CYS H A 98 SER HBy 1.0 . 4.18 1837 1374 A 99 CYS H A 98 SER HBx 1.0 . 4.18 1838 1375 A 99 CYS H A 99 CYS HBy 1.0 . 2.61 1839 1375 A 99 CYS H A 99 CYS HBx 1.0 . 2.61 1840 1376 A 99 CYS H A 102 LYS HBy 1.0 . 4.52 1841 1376 A 99 CYS H A 102 LYS HBx 1.0 . 4.52 1842 1377 A 99 CYS H A 102 LYS HGx 1.0 . 3.71 1843 1377 A 99 CYS H A 102 LYS HGy 1.0 . 3.71 1844 1378 A 99 CYS HBy A 100 SER HBx 1.0 . 4.45 1845 1378 A 99 CYS HBx A 100 SER HBx 1.0 . 4.45 1846 1378 A 100 SER HBy A 99 CYS HBy 1.0 . 4.45 1847 1378 A 99 CYS HBx A 100 SER HBy 1.0 . 4.45 1848 1379 A 101 CYS H A 99 CYS HBy 1.0 . 4.34 1849 1379 A 101 CYS H A 99 CYS HBx 1.0 . 4.34 1850 1380 A 102 LYS H A 99 CYS HBy 1.0 . 4.02 1851 1380 A 102 LYS H A 99 CYS HBx 1.0 . 4.02 1852 1381 A 99 CYS HBy A 102 LYS HGx 1.0 . 4.69 1853 1381 A 99 CYS HBx A 102 LYS HGx 1.0 . 4.69 1854 1381 A 102 LYS HGy A 99 CYS HBy 1.0 . 4.69 1855 1381 A 102 LYS HGy A 99 CYS HBx 1.0 . 4.69 1856 1382 A 100 SER H A 100 SER HBx 1.0 . 2.92 1857 1382 A 100 SER H A 100 SER HBy 1.0 . 2.92 1858 1383 A 101 CYS H A 100 SER HBx 1.0 . 3.72 1859 1383 A 101 CYS H A 100 SER HBy 1.0 . 3.72 1860 1384 A 102 LYS H A 100 SER HBx 1.0 . 5.34 1861 1384 A 102 LYS H A 100 SER HBy 1.0 . 5.34 1862 1385 A 101 CYS H A 102 LYS HBy 1.0 . 4.64 1863 1385 A 101 CYS H A 102 LYS HBx 1.0 . 4.64 1864 1386 A 102 LYS H A 101 CYS HBy 1.0 . 4.47 1865 1386 A 102 LYS H A 101 CYS HBx 1.0 . 4.47 1866 1387 A 102 LYS H A 102 LYS HBy 1.0 . 2.91 1867 1387 A 102 LYS H A 102 LYS HBx 1.0 . 2.91 1868 1388 A 102 LYS H A 102 LYS HGx 1.0 . 3.60 1869 1388 A 102 LYS H A 102 LYS HGy 1.0 . 3.60 1870 1389 A 102 LYS H A 102 LYS HEx 1.0 . 5.34 1871 1389 A 102 LYS H A 102 LYS HEy 1.0 . 5.34 1872 1390 A 102 LYS HA A 102 LYS HDy 1.0 . 3.57 1873 1390 A 102 LYS HA A 102 LYS HDx 1.0 . 3.57 1874 1391 A 102 LYS HBx A 102 LYS HEx 1.0 . 5.18 1875 1391 A 102 LYS HBy A 102 LYS HEx 1.0 . 5.18 1876 1391 A 102 LYS HEy A 102 LYS HBy 1.0 . 5.18 1877 1391 A 102 LYS HEy A 102 LYS HBx 1.0 . 5.18 1878 1392 A 102 LYS HDx A 102 LYS HGx 1.0 . 2.36 1879 1392 A 102 LYS HDy A 102 LYS HGx 1.0 . 2.36 1880 1392 A 102 LYS HGy A 102 LYS HDy 1.0 . 2.36 1881 1392 A 102 LYS HDx A 102 LYS HGy 1.0 . 2.36 1882 1393 A 102 LYS HEx A 102 LYS HGx 1.0 . 3.21 1883 1393 A 102 LYS HEy A 102 LYS HGx 1.0 . 3.21 1884 1393 A 102 LYS HGy A 102 LYS HEx 1.0 . 3.21 1885 1393 A 102 LYS HEy A 102 LYS HGy 1.0 . 3.21 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 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 14 'not observed' 2 ppm 13C 70 'not observed' 3 ppm 1H 10 aliased 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 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 14 aliased 2 ppm 15N 30 folded 3 ppm 1H 10 folded stop_ save_