data_nef_c30445_6cws 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6CWS 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 1 39 CYS SG 1 12 CYS SG 1 54 CYS SG 1 30 CYS SG 1 80 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 SER start . . 2 A 2 GLU middle . . 3 A 3 ALA middle . . 4 A 4 ILE middle . . 5 A 5 LEU middle . . 6 A 6 PRO middle . false 7 A 7 ILE middle . . 8 A 8 ALA middle . . 9 A 9 SER middle . . 10 A 10 SER middle . . 11 A 11 CYS middle -HG . 12 A 12 CYS middle -HG . 13 A 13 THR middle . . 14 A 14 GLU middle . . 15 A 15 VAL middle . . 16 A 16 SER middle . . 17 A 17 HIS middle . . 18 A 18 HIS middle . . 19 A 19 ILE middle . . 20 A 20 SER middle . . 21 A 21 ARG middle . . 22 A 22 ARG middle . . 23 A 23 LEU middle . . 24 A 24 LEU middle . . 25 A 25 GLU middle . . 26 A 26 ARG middle . . 27 A 27 VAL middle . . 28 A 28 ASN middle . . 29 A 29 MET middle . . 30 A 30 CYS middle -HG . 31 A 31 ARG middle . . 32 A 32 ILE middle . . 33 A 33 GLN middle . . 34 A 34 ARG middle . . 35 A 35 ALA middle . . 36 A 36 ASP middle . . 37 A 37 GLY middle . false 38 A 38 ASP middle . . 39 A 39 CYS middle -HG . 40 A 40 ASP middle . . 41 A 41 LEU middle . . 42 A 42 ALA middle . . 43 A 43 ALA middle . . 44 A 44 VAL middle . . 45 A 45 ILE middle . . 46 A 46 LEU middle . . 47 A 47 HIS middle . . 48 A 48 VAL middle . . 49 A 49 LYS middle . . 50 A 50 ARG middle . . 51 A 51 ARG middle . . 52 A 52 ARG middle . . 53 A 53 ILE middle . . 54 A 54 CYS middle -HG . 55 A 55 VAL middle . . 56 A 56 SER middle . . 57 A 57 PRO middle . false 58 A 58 HIS middle . . 59 A 59 ASN middle . . 60 A 60 HIS middle . . 61 A 61 THR middle . . 62 A 62 VAL middle . . 63 A 63 LYS middle . . 64 A 64 GLN middle . . 65 A 65 TRP middle . . 66 A 66 MET middle . . 67 A 67 LYS middle . . 68 A 68 VAL middle . . 69 A 69 GLN middle . . 70 A 70 ALA middle . . 71 A 71 ALA middle . . 72 A 72 LYS middle . . 73 A 73 LYS middle . . 74 A 74 ASN middle . . 75 A 75 GLY middle . false 76 A 76 LYS middle . . 77 A 77 GLY middle . false 78 A 78 ASN middle . . 79 A 79 VAL middle . . 80 A 80 CYS middle -HG . 81 A 81 HIS middle . . 82 A 82 ARG middle . . 83 A 83 LYS middle . . 84 A 84 LYS middle . . 85 A 85 HIS middle . . 86 A 86 HIS middle . . 87 A 87 GLY middle . false 88 A 88 LYS middle . . 89 A 89 ARG middle . . 90 A 90 ASN middle . . 91 A 91 SER middle . . 92 A 92 ASN middle . . 93 A 93 ARG middle . . 94 A 94 ALA middle . . 95 A 95 HIS middle . . 96 A 96 GLN middle . . 97 A 97 GLY middle . false 98 A 98 LYS middle . . 99 A 99 HIS middle . . 100 A 100 GLU middle . . 101 A 101 THR middle . . 102 A 102 TYR middle . . 103 A 103 GLY middle . false 104 A 104 HIS middle . . 105 A 105 LYS middle . . 106 A 106 THR middle . . 107 A 107 PRO middle . false 108 A 108 TYR end . . 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 1 SER C C 13 179.311 0.000 A 2 GLU H H 1 7.767 0.000 A 2 GLU HA H 1 4.295 0.000 A 2 GLU HBy H 1 2.037 0.000 A 2 GLU HBx H 1 1.878 0.000 A 2 GLU HGx H 1 2.234 0.000 A 2 GLU HGy H 1 2.234 0.000 A 2 GLU C C 13 175.896 0.000 A 2 GLU CA C 13 56.552 0.000 A 2 GLU CB C 13 30.861 0.000 A 2 GLU CG C 13 36.413 0.000 A 2 GLU N N 15 120.156 0.000 A 3 ALA H H 1 8.369 0.000 A 3 ALA HA H 1 4.264 0.000 A 3 ALA HB% H 1 1.279 0.000 A 3 ALA C C 13 177.121 0.000 A 3 ALA CA C 13 52.544 0.000 A 3 ALA CB C 13 19.500 0.000 A 3 ALA N N 15 125.971 0.000 A 4 ILE H H 1 8.161 0.000 A 4 ILE HA H 1 4.168 0.000 A 4 ILE HB H 1 1.780 0.000 A 4 ILE HD1% H 1 0.782 0.000 A 4 ILE HG1y H 1 1.416 0.000 A 4 ILE HG1x H 1 1.126 0.000 A 4 ILE HG2% H 1 0.814 0.000 A 4 ILE C C 13 176.111 0.000 A 4 ILE CA C 13 60.986 0.000 A 4 ILE CB C 13 39.277 0.000 A 4 ILE CD1 C 13 12.939 0.000 A 4 ILE CG1 C 13 27.711 0.000 A 4 ILE CG2 C 13 17.796 0.000 A 4 ILE N N 15 121.000 0.000 A 5 LEU H H 1 8.274 0.000 A 5 LEU HBx H 1 1.527 0.000 A 5 LEU HBy H 1 1.527 0.000 A 5 LEU C C 13 175.112 0.000 A 5 LEU N N 15 128.377 0.000 A 6 PRO HA H 1 4.393 0.000 A 6 PRO HBy H 1 2.221 0.000 A 6 PRO HBx H 1 1.840 0.000 A 6 PRO HDy H 1 3.859 0.000 A 6 PRO HDx H 1 3.598 0.000 A 6 PRO HGx H 1 1.966 0.000 A 6 PRO HGy H 1 1.966 0.000 A 6 PRO C C 13 177.103 0.000 A 6 PRO CA C 13 63.086 0.000 A 6 PRO CB C 13 32.161 0.000 A 6 PRO CD C 13 50.931 0.000 A 6 PRO CG C 13 27.631 0.000 A 7 ILE H H 1 8.077 0.000 A 7 ILE HA H 1 4.035 0.000 A 7 ILE HB H 1 1.774 0.002 A 7 ILE HD1% H 1 0.785 0.000 A 7 ILE HG1y H 1 1.424 0.000 A 7 ILE HG1x H 1 1.128 0.000 A 7 ILE HG2% H 1 0.844 0.000 A 7 ILE C C 13 176.448 0.000 A 7 ILE CA C 13 61.620 0.000 A 7 ILE CB C 13 38.928 0.000 A 7 ILE CD1 C 13 13.502 0.000 A 7 ILE CG1 C 13 27.948 0.000 A 7 ILE CG2 C 13 17.607 0.000 A 7 ILE N N 15 121.013 0.000 A 8 ALA H H 1 8.323 0.000 A 8 ALA HA H 1 4.279 0.000 A 8 ALA HB% H 1 1.347 0.000 A 8 ALA C C 13 177.792 0.000 A 8 ALA CA C 13 52.973 0.000 A 8 ALA CB C 13 19.500 0.000 A 8 ALA N N 15 127.259 0.000 A 9 SER H H 1 8.202 0.000 A 9 SER HA H 1 4.400 0.000 A 9 SER HBx H 1 3.768 0.000 A 9 SER HBy H 1 3.768 0.000 A 9 SER C C 13 174.598 0.000 A 9 SER CA C 13 58.427 0.000 A 9 SER CB C 13 64.426 0.000 A 9 SER N N 15 114.681 0.000 A 10 SER H H 1 8.183 0.000 A 10 SER HA H 1 4.439 0.000 A 10 SER HBx H 1 3.834 0.000 A 10 SER HBy H 1 3.834 0.000 A 10 SER C C 13 174.951 0.000 A 10 SER CA C 13 58.500 0.000 A 10 SER CB C 13 64.435 0.000 A 10 SER N N 15 117.843 0.000 A 11 CYS H H 1 8.369 0.000 A 11 CYS HA H 1 4.484 0.000 A 11 CYS HBy H 1 2.918 0.000 A 11 CYS HBx H 1 2.655 0.000 A 11 CYS C C 13 176.354 0.000 A 11 CYS CA C 13 55.463 0.000 A 11 CYS CB C 13 40.573 0.000 A 11 CYS N N 15 119.667 0.000 A 12 CYS H H 1 10.180 0.000 A 12 CYS HA H 1 4.627 0.000 A 12 CYS HBx H 1 2.706 0.000 A 12 CYS HBy H 1 2.836 0.000 A 12 CYS C C 13 176.262 0.000 A 12 CYS CA C 13 57.644 0.000 A 12 CYS CB C 13 42.226 0.000 A 12 CYS N N 15 123.195 0.000 A 13 THR H H 1 9.080 0.000 A 13 THR HA H 1 4.270 0.000 A 13 THR HB H 1 4.394 0.000 A 13 THR HG2% H 1 1.092 0.000 A 13 THR C C 13 173.182 0.000 A 13 THR CA C 13 62.340 0.000 A 13 THR CB C 13 69.394 0.052 A 13 THR CG2 C 13 21.815 0.000 A 13 THR N N 15 116.471 0.000 A 14 GLU H H 1 7.607 0.000 A 14 GLU HA H 1 4.463 0.000 A 14 GLU HBy H 1 1.999 0.000 A 14 GLU HBx H 1 1.885 0.000 A 14 GLU HGx H 1 2.117 0.000 A 14 GLU HGy H 1 2.117 0.000 A 14 GLU C C 13 174.349 0.000 A 14 GLU CA C 13 55.141 0.003 A 14 GLU CB C 13 32.122 0.000 A 14 GLU CG C 13 35.705 0.000 A 14 GLU N N 15 121.584 0.000 A 15 VAL H H 1 8.260 0.000 A 15 VAL HA H 1 4.323 0.000 A 15 VAL HB H 1 1.766 0.000 A 15 VAL HGx% H 1 0.655 0.000 A 15 VAL HGy% H 1 0.672 0.000 A 15 VAL C C 13 175.428 0.000 A 15 VAL CA C 13 59.765 0.000 A 15 VAL CB C 13 35.196 0.000 A 15 VAL CG1 C 13 19.410 0.000 A 15 VAL CG2 C 13 22.652 0.000 A 15 VAL N N 15 114.642 0.000 A 16 SER H H 1 8.612 0.000 A 16 SER HA H 1 4.565 0.000 A 16 SER HBx H 1 3.777 0.000 A 16 SER HBy H 1 3.777 0.000 A 16 SER C C 13 176.602 1.624 A 16 SER CA C 13 57.721 0.000 A 16 SER CB C 13 64.701 0.000 A 16 SER N N 15 117.819 0.000 A 17 HIS H H 1 8.118 0.000 A 17 HIS C C 13 174.764 0.000 A 17 HIS N N 15 117.587 0.000 A 18 HIS H H 1 7.889 0.000 A 18 HIS HA H 1 4.766 0.000 A 18 HIS HBy H 1 2.991 0.000 A 18 HIS HBx H 1 2.925 0.000 A 18 HIS HD2 H 1 7.007 0.000 A 18 HIS C C 13 173.351 0.000 A 18 HIS CA C 13 55.649 0.000 A 18 HIS CB C 13 32.803 0.000 A 18 HIS CD2 C 13 119.882 0.000 A 18 HIS N N 15 118.529 0.000 A 19 ILE H H 1 7.934 0.000 A 19 ILE HA H 1 4.298 0.000 A 19 ILE HB H 1 1.580 0.001 A 19 ILE HD1% H 1 0.552 0.006 A 19 ILE HG1y H 1 1.254 0.005 A 19 ILE HG1x H 1 0.998 0.004 A 19 ILE HG2% H 1 0.551 0.003 A 19 ILE C C 13 172.735 0.000 A 19 ILE CA C 13 59.184 0.000 A 19 ILE CB C 13 40.897 0.000 A 19 ILE CD1 C 13 14.254 0.000 A 19 ILE CG1 C 13 27.954 0.000 A 19 ILE CG2 C 13 17.188 0.000 A 19 ILE N N 15 120.550 0.000 A 20 SER H H 1 7.722 0.000 A 20 SER HA H 1 4.562 0.000 A 20 SER HBx H 1 3.786 0.000 A 20 SER HBy H 1 4.109 0.000 A 20 SER C C 13 175.297 0.000 A 20 SER CA C 13 56.735 0.000 A 20 SER CB C 13 65.174 0.000 A 20 SER N N 15 119.267 0.000 A 21 ARG H H 1 8.939 0.000 A 21 ARG HA H 1 3.749 0.000 A 21 ARG HBx H 1 1.847 0.000 A 21 ARG HBy H 1 1.847 0.000 A 21 ARG HDx H 1 3.229 0.000 A 21 ARG HDy H 1 3.229 0.000 A 21 ARG HGx H 1 1.662 0.000 A 21 ARG HGy H 1 1.662 0.000 A 21 ARG C C 13 178.308 0.000 A 21 ARG CA C 13 59.487 0.000 A 21 ARG CB C 13 29.566 0.000 A 21 ARG CD C 13 43.496 0.000 A 21 ARG CG C 13 27.914 0.000 A 21 ARG N N 15 124.751 0.000 A 22 ARG H H 1 8.020 0.002 A 22 ARG HA H 1 3.963 0.000 A 22 ARG HBx H 1 1.715 0.000 A 22 ARG HBy H 1 1.715 0.000 A 22 ARG HDx H 1 3.135 0.001 A 22 ARG HDy H 1 3.135 0.001 A 22 ARG HGx H 1 1.580 0.000 A 22 ARG HGy H 1 1.580 0.000 A 22 ARG C C 13 178.544 0.000 A 22 ARG CA C 13 58.729 0.000 A 22 ARG CB C 13 29.766 0.000 A 22 ARG CD C 13 43.293 0.000 A 22 ARG CG C 13 26.653 0.000 A 22 ARG N N 15 117.146 0.000 A 23 LEU H H 1 7.216 0.000 A 23 LEU HA H 1 3.933 0.000 A 23 LEU HBx H 1 1.515 0.000 A 23 LEU HBy H 1 1.515 0.000 A 23 LEU HDx% H 1 0.785 0.000 A 23 LEU HDy% H 1 0.705 0.000 A 23 LEU HG H 1 1.415 0.000 A 23 LEU C C 13 178.990 0.000 A 23 LEU CA C 13 57.644 0.000 A 23 LEU CB C 13 42.111 0.000 A 23 LEU CD1 C 13 24.387 0.000 A 23 LEU CD2 C 13 24.777 0.000 A 23 LEU CG C 13 27.300 0.000 A 23 LEU N N 15 119.831 0.000 A 24 LEU H H 1 7.061 0.000 A 24 LEU HA H 1 3.431 0.000 A 24 LEU HBy H 1 1.343 0.000 A 24 LEU HBx H 1 0.187 0.000 A 24 LEU HDx% H 1 0.258 0.000 A 24 LEU HDy% H 1 -0.265 0.000 A 24 LEU HG H 1 1.152 0.000 A 24 LEU C C 13 178.790 0.000 A 24 LEU CA C 13 56.963 0.000 A 24 LEU CB C 13 40.035 0.105 A 24 LEU CD1 C 13 25.991 0.000 A 24 LEU CD2 C 13 22.957 0.000 A 24 LEU CG C 13 25.991 0.000 A 24 LEU N N 15 116.339 0.000 A 25 GLU H H 1 7.395 0.000 A 25 GLU HA H 1 4.158 0.000 A 25 GLU HBy H 1 2.121 0.000 A 25 GLU HBx H 1 2.056 0.000 A 25 GLU HGy H 1 2.454 0.000 A 25 GLU HGx H 1 2.349 0.000 A 25 GLU C C 13 177.509 0.000 A 25 GLU CA C 13 58.300 0.000 A 25 GLU CB C 13 30.289 0.000 A 25 GLU CG C 13 36.818 0.000 A 25 GLU N N 15 115.368 0.000 A 26 ARG H H 1 7.598 0.000 A 26 ARG HA H 1 4.466 0.002 A 26 ARG HBx H 1 1.764 0.001 A 26 ARG HBy H 1 2.075 0.000 A 26 ARG HDx H 1 3.115 0.001 A 26 ARG HDy H 1 3.115 0.001 A 26 ARG HGx H 1 1.623 0.000 A 26 ARG HGy H 1 1.705 0.000 A 26 ARG C C 13 175.624 0.000 A 26 ARG CA C 13 54.815 0.000 A 26 ARG CB C 13 31.344 0.000 A 26 ARG CD C 13 43.799 0.000 A 26 ARG CG C 13 27.509 0.000 A 26 ARG N N 15 116.260 0.000 A 27 VAL H H 1 7.123 0.000 A 27 VAL HA H 1 3.933 0.000 A 27 VAL HB H 1 2.145 0.000 A 27 VAL HGx% H 1 1.005 0.000 A 27 VAL HGy% H 1 0.788 0.000 A 27 VAL C C 13 176.654 0.000 A 27 VAL CA C 13 63.779 0.000 A 27 VAL CB C 13 33.016 0.042 A 27 VAL CG1 C 13 22.806 0.000 A 27 VAL CG2 C 13 24.777 0.000 A 27 VAL N N 15 120.886 0.000 A 28 ASN H H 1 9.044 0.000 A 28 ASN HA H 1 4.998 0.000 A 28 ASN HBx H 1 2.829 0.000 A 28 ASN HBy H 1 2.829 0.000 A 28 ASN HD2y H 1 7.687 0.000 A 28 ASN HD2x H 1 6.966 0.000 A 28 ASN C C 13 174.623 0.000 A 28 ASN CA C 13 54.311 0.000 A 28 ASN CB C 13 40.932 0.000 A 28 ASN N N 15 123.647 0.000 A 28 ASN ND2 N 15 112.223 0.000 A 29 MET H H 1 7.591 0.000 A 29 MET HA H 1 4.611 0.000 A 29 MET HBx H 1 1.827 0.000 A 29 MET HBy H 1 2.091 0.000 A 29 MET HGx H 1 2.361 0.000 A 29 MET HGy H 1 2.361 0.000 A 29 MET C C 13 177.393 0.000 A 29 MET CA C 13 56.110 0.000 A 29 MET CB C 13 35.717 0.000 A 29 MET CG C 13 31.832 0.000 A 29 MET N N 15 117.862 0.000 A 30 CYS H H 1 9.010 0.001 A 30 CYS HA H 1 5.754 0.000 A 30 CYS HBx H 1 3.212 0.002 A 30 CYS HBy H 1 3.309 0.005 A 30 CYS C C 13 173.833 0.000 A 30 CYS CA C 13 54.491 0.000 A 30 CYS CB C 13 49.309 0.000 A 30 CYS N N 15 122.725 0.000 A 31 ARG H H 1 9.452 0.000 A 31 ARG HA H 1 5.304 0.000 A 31 ARG HBx H 1 1.794 0.000 A 31 ARG HBy H 1 1.794 0.000 A 31 ARG HDy H 1 3.242 0.000 A 31 ARG HDx H 1 3.158 0.000 A 31 ARG HGy H 1 1.592 0.000 A 31 ARG HGx H 1 1.500 0.000 A 31 ARG C C 13 173.790 0.000 A 31 ARG CA C 13 54.526 0.000 A 31 ARG CB C 13 35.278 0.000 A 31 ARG CD C 13 43.809 0.000 A 31 ARG CG C 13 28.272 0.000 A 31 ARG N N 15 125.037 0.000 A 32 ILE H H 1 8.492 0.000 A 32 ILE HA H 1 4.440 0.000 A 32 ILE HB H 1 1.785 0.000 A 32 ILE HD1% H 1 0.737 0.000 A 32 ILE HG1y H 1 1.342 0.000 A 32 ILE HG1x H 1 1.143 0.000 A 32 ILE HG2% H 1 0.790 0.000 A 32 ILE C C 13 175.054 0.000 A 32 ILE CA C 13 60.057 0.000 A 32 ILE CB C 13 38.928 0.000 A 32 ILE CD1 C 13 12.100 0.000 A 32 ILE CG1 C 13 27.893 0.000 A 32 ILE CG2 C 13 17.266 0.000 A 32 ILE N N 15 121.612 0.000 A 33 GLN H H 1 9.153 0.000 A 33 GLN HA H 1 4.677 0.000 A 33 GLN HBx H 1 2.030 0.000 A 33 GLN HBy H 1 2.030 0.000 A 33 GLN HE2y H 1 8.687 0.000 A 33 GLN HE2x H 1 7.234 0.000 A 33 GLN HGy H 1 2.387 0.000 A 33 GLN HGx H 1 2.246 0.000 A 33 GLN C C 13 174.661 0.000 A 33 GLN CA C 13 54.688 0.000 A 33 GLN CB C 13 32.156 0.000 A 33 GLN CG C 13 34.895 0.000 A 33 GLN N N 15 130.621 0.000 A 33 GLN NE2 N 15 114.261 0.001 A 34 ARG H H 1 8.680 0.000 A 34 ARG HA H 1 4.426 0.000 A 34 ARG HBy H 1 1.794 0.000 A 34 ARG HBx H 1 1.758 0.000 A 34 ARG HDx H 1 3.113 0.000 A 34 ARG HDy H 1 3.113 0.000 A 34 ARG HGy H 1 1.606 0.000 A 34 ARG HGx H 1 1.488 0.000 A 34 ARG C C 13 175.390 0.000 A 34 ARG CA C 13 55.463 0.000 A 34 ARG CB C 13 33.127 0.000 A 34 ARG CD C 13 43.630 0.000 A 34 ARG CG C 13 26.977 0.000 A 34 ARG N N 15 126.813 0.000 A 35 ALA H H 1 8.356 0.000 A 35 ALA HA H 1 4.323 0.000 A 35 ALA HB% H 1 1.165 0.000 A 35 ALA C C 13 176.654 0.000 A 35 ALA CA C 13 51.710 0.000 A 35 ALA CB C 13 17.756 0.000 A 35 ALA N N 15 123.200 0.000 A 36 ASP H H 1 8.291 0.000 A 36 ASP HA H 1 4.599 0.000 A 36 ASP HBx H 1 2.491 0.000 A 36 ASP HBy H 1 2.928 0.000 A 36 ASP C C 13 176.278 0.000 A 36 ASP CA C 13 53.250 0.000 A 36 ASP CB C 13 41.178 0.000 A 36 ASP N N 15 122.913 0.000 A 37 GLY H H 1 8.160 0.000 A 37 GLY HAy H 1 3.904 0.000 A 37 GLY HAx H 1 3.852 0.000 A 37 GLY C C 13 174.492 0.000 A 37 GLY CA C 13 46.075 0.000 A 37 GLY N N 15 108.273 0.000 A 38 ASP H H 1 8.453 0.000 A 38 ASP HA H 1 4.565 0.000 A 38 ASP HBx H 1 2.642 0.000 A 38 ASP HBy H 1 2.642 0.000 A 38 ASP C C 13 176.245 0.000 A 38 ASP CA C 13 56.382 0.000 A 38 ASP CB C 13 41.791 0.000 A 38 ASP N N 15 122.264 0.000 A 39 CYS H H 1 7.986 0.000 A 39 CYS HA H 1 4.955 0.000 A 39 CYS HBx H 1 2.888 0.000 A 39 CYS HBy H 1 3.435 0.000 A 39 CYS C C 13 173.942 0.000 A 39 CYS CA C 13 52.511 0.000 A 39 CYS CB C 13 39.925 0.000 A 39 CYS N N 15 116.122 0.000 A 40 ASP H H 1 8.094 0.000 A 40 ASP HA H 1 4.644 0.000 A 40 ASP HBx H 1 2.624 0.000 A 40 ASP HBy H 1 2.624 0.000 A 40 ASP C C 13 175.269 0.000 A 40 ASP CA C 13 55.197 0.000 A 40 ASP CB C 13 41.819 0.000 A 40 ASP N N 15 118.804 0.000 A 41 LEU H H 1 7.377 0.000 A 41 LEU HA H 1 4.520 0.000 A 41 LEU HBx H 1 1.369 0.000 A 41 LEU HBy H 1 1.369 0.000 A 41 LEU HDx% H 1 0.757 0.000 A 41 LEU HDy% H 1 0.631 0.000 A 41 LEU HG H 1 1.433 0.000 A 41 LEU C C 13 175.007 0.000 A 41 LEU CA C 13 53.848 0.007 A 41 LEU CB C 13 45.568 0.000 A 41 LEU CD1 C 13 24.711 0.000 A 41 LEU CD2 C 13 25.358 0.000 A 41 LEU CG C 13 26.660 0.000 A 41 LEU N N 15 118.659 0.000 A 42 ALA H H 1 8.355 0.000 A 42 ALA HA H 1 4.603 0.000 A 42 ALA HB% H 1 1.361 0.000 A 42 ALA C C 13 176.588 0.000 A 42 ALA CA C 13 51.053 0.000 A 42 ALA CB C 13 19.665 0.000 A 42 ALA N N 15 126.611 0.000 A 43 ALA H H 1 8.811 0.000 A 43 ALA HA H 1 4.614 0.000 A 43 ALA HB% H 1 1.052 0.000 A 43 ALA C C 13 175.025 0.000 A 43 ALA CA C 13 52.063 0.000 A 43 ALA CB C 13 23.425 0.000 A 43 ALA N N 15 120.342 0.000 A 44 VAL H H 1 9.038 0.000 A 44 VAL HA H 1 4.298 0.000 A 44 VAL HB H 1 1.787 0.000 A 44 VAL HGx% H 1 0.871 0.000 A 44 VAL HGy% H 1 0.791 0.000 A 44 VAL C C 13 174.081 0.000 A 44 VAL CA C 13 62.947 0.000 A 44 VAL CB C 13 32.836 0.000 A 44 VAL CG1 C 13 22.130 0.000 A 44 VAL CG2 C 13 20.822 0.000 A 44 VAL N N 15 122.155 0.000 A 45 ILE H H 1 9.386 0.000 A 45 ILE HA H 1 4.542 0.000 A 45 ILE HB H 1 1.848 0.000 A 45 ILE HD1% H 1 0.881 0.001 A 45 ILE HG1y H 1 1.468 0.000 A 45 ILE HG1x H 1 1.060 0.000 A 45 ILE HG2% H 1 0.671 0.000 A 45 ILE C C 13 175.222 0.000 A 45 ILE CA C 13 61.335 0.000 A 45 ILE CB C 13 38.653 0.000 A 45 ILE CD1 C 13 14.694 0.000 A 45 ILE CG1 C 13 28.272 0.000 A 45 ILE CG2 C 13 18.894 0.000 A 45 ILE N N 15 127.797 0.000 A 46 LEU H H 1 9.129 0.000 A 46 LEU HA H 1 4.905 0.000 A 46 LEU HBy H 1 1.713 0.000 A 46 LEU HBx H 1 1.161 0.000 A 46 LEU HDx% H 1 0.640 0.000 A 46 LEU HDy% H 1 0.411 0.000 A 46 LEU HG H 1 1.536 0.000 A 46 LEU C C 13 175.821 0.000 A 46 LEU CA C 13 52.872 0.000 A 46 LEU CB C 13 43.592 0.000 A 46 LEU CD1 C 13 24.171 0.000 A 46 LEU CD2 C 13 26.977 0.000 A 46 LEU CG C 13 26.653 0.000 A 46 LEU N N 15 126.602 0.000 A 47 HIS H H 1 8.552 0.000 A 47 HIS HA H 1 5.265 0.000 A 47 HIS HBx H 1 3.063 0.000 A 47 HIS HBy H 1 3.063 0.000 A 47 HIS HD2 H 1 6.531 0.000 A 47 HIS HE1 H 1 7.544 0.000 A 47 HIS C C 13 174.754 0.000 A 47 HIS CA C 13 55.750 0.000 A 47 HIS CB C 13 31.300 0.000 A 47 HIS CD2 C 13 122.729 0.000 A 47 HIS CE1 C 13 138.001 0.000 A 47 HIS N N 15 121.357 0.000 A 48 VAL H H 1 8.420 0.000 A 48 VAL HA H 1 4.294 0.000 A 48 VAL HB H 1 1.843 0.000 A 48 VAL HGx% H 1 0.791 0.000 A 48 VAL HGy% H 1 0.667 0.000 A 48 VAL C C 13 175.344 0.000 A 48 VAL CA C 13 61.154 0.000 A 48 VAL CB C 13 33.550 0.000 A 48 VAL CG1 C 13 21.168 0.000 A 48 VAL CG2 C 13 20.915 0.000 A 48 VAL N N 15 123.524 0.000 A 49 LYS H H 1 9.155 0.000 A 49 LYS HA H 1 3.764 0.000 A 49 LYS HBy H 1 2.043 0.000 A 49 LYS HBx H 1 1.890 0.000 A 49 LYS HDx H 1 1.678 0.000 A 49 LYS HDy H 1 1.678 0.000 A 49 LYS HEx H 1 2.968 0.000 A 49 LYS HEy H 1 2.968 0.000 A 49 LYS HGy H 1 1.507 0.000 A 49 LYS HGx H 1 1.421 0.000 A 49 LYS C C 13 176.420 0.000 A 49 LYS CA C 13 58.931 0.000 A 49 LYS CB C 13 30.460 0.088 A 49 LYS CD C 13 29.381 0.000 A 49 LYS CE C 13 42.734 0.000 A 49 LYS CG C 13 25.682 0.000 A 49 LYS N N 15 125.472 0.000 A 50 ARG H H 1 8.339 0.000 A 50 ARG HA H 1 4.218 0.000 A 50 ARG HBy H 1 2.083 0.002 A 50 ARG HBx H 1 1.850 0.002 A 50 ARG HDx H 1 3.174 0.002 A 50 ARG HDy H 1 3.174 0.002 A 50 ARG HGy H 1 1.636 0.000 A 50 ARG HGx H 1 1.575 0.000 A 50 ARG C C 13 175.755 0.000 A 50 ARG CA C 13 57.215 0.000 A 50 ARG CB C 13 29.743 0.000 A 50 ARG CD C 13 43.486 0.000 A 50 ARG CG C 13 27.901 0.000 A 50 ARG N N 15 118.596 0.000 A 51 ARG H H 1 8.144 0.000 A 51 ARG HA H 1 4.459 0.000 A 51 ARG HBx H 1 1.801 0.000 A 51 ARG HBy H 1 1.801 0.000 A 51 ARG HDx H 1 3.127 0.000 A 51 ARG HDy H 1 3.127 0.000 A 51 ARG HGx H 1 1.584 0.000 A 51 ARG HGy H 1 1.584 0.000 A 51 ARG C C 13 174.520 0.000 A 51 ARG CA C 13 55.725 0.000 A 51 ARG CB C 13 32.480 0.000 A 51 ARG CD C 13 44.204 0.000 A 51 ARG CG C 13 26.977 0.000 A 51 ARG N N 15 120.670 0.000 A 52 ARG H H 1 8.437 0.000 A 52 ARG HA H 1 4.831 0.000 A 52 ARG HBx H 1 1.459 0.000 A 52 ARG HBy H 1 1.459 0.000 A 52 ARG HDy H 1 2.971 0.000 A 52 ARG HDx H 1 2.886 0.000 A 52 ARG HGx H 1 1.059 0.000 A 52 ARG HGy H 1 1.162 0.000 A 52 ARG C C 13 175.166 0.000 A 52 ARG CA C 13 54.795 0.000 A 52 ARG CB C 13 32.173 0.000 A 52 ARG CD C 13 44.131 0.000 A 52 ARG CG C 13 27.000 0.000 A 52 ARG N N 15 124.022 0.000 A 53 ILE H H 1 9.218 0.000 A 53 ILE HA H 1 4.240 0.000 A 53 ILE HB H 1 1.576 0.000 A 53 ILE HD1% H 1 0.634 0.000 A 53 ILE HG1x H 1 0.939 0.000 A 53 ILE HG1y H 1 1.284 0.000 A 53 ILE HG2% H 1 0.713 0.000 A 53 ILE C C 13 174.380 0.000 A 53 ILE CA C 13 60.786 0.000 A 53 ILE CB C 13 41.233 0.000 A 53 ILE CD1 C 13 14.371 0.000 A 53 ILE CG1 C 13 28.389 0.000 A 53 ILE CG2 C 13 18.099 0.000 A 53 ILE N N 15 126.673 0.000 A 54 CYS H H 1 8.821 0.000 A 54 CYS HA H 1 5.117 0.000 A 54 CYS HBy H 1 3.599 0.000 A 54 CYS HBx H 1 2.767 0.000 A 54 CYS C C 13 173.959 0.000 A 54 CYS CA C 13 55.093 0.000 A 54 CYS CB C 13 46.227 0.000 A 54 CYS N N 15 126.050 0.000 A 55 VAL H H 1 9.484 0.000 A 55 VAL HA H 1 4.728 0.000 A 55 VAL HB H 1 1.875 0.000 A 55 VAL HGx% H 1 0.819 0.000 A 55 VAL HGy% H 1 0.727 0.000 A 55 VAL C C 13 174.183 0.000 A 55 VAL CA C 13 60.129 0.000 A 55 VAL CB C 13 35.467 0.000 A 55 VAL CG1 C 13 21.900 0.000 A 55 VAL CG2 C 13 21.775 0.000 A 55 VAL N N 15 122.385 0.000 A 56 SER H H 1 8.355 0.000 A 56 SER HA H 1 4.501 0.000 A 56 SER HBy H 1 3.793 0.000 A 56 SER HBx H 1 3.628 0.000 A 56 SER C C 13 174.692 0.000 A 56 SER CA C 13 57.722 0.000 A 56 SER CB C 13 64.825 0.000 A 56 SER N N 15 118.596 0.000 A 57 PRO HA H 1 4.165 0.000 A 57 PRO HBx H 1 1.498 0.000 A 57 PRO HBy H 1 2.001 0.000 A 57 PRO HDx H 1 3.660 0.000 A 57 PRO HDy H 1 3.660 0.000 A 57 PRO HGx H 1 1.397 0.000 A 57 PRO HGy H 1 1.616 0.000 A 57 PRO C C 13 175.679 0.000 A 57 PRO CA C 13 63.694 0.000 A 57 PRO CB C 13 31.832 0.000 A 57 PRO CD C 13 51.254 0.000 A 57 PRO CG C 13 27.439 0.000 A 58 HIS H H 1 7.537 0.000 A 58 HIS HA H 1 4.547 0.000 A 58 HIS HBx H 1 2.783 0.000 A 58 HIS HBy H 1 3.259 0.000 A 58 HIS HD2 H 1 6.935 0.000 A 58 HIS C C 13 175.868 0.000 A 58 HIS CA C 13 55.270 0.000 A 58 HIS CB C 13 30.866 0.000 A 58 HIS CD2 C 13 119.100 0.000 A 58 HIS N N 15 113.490 0.000 A 59 ASN H H 1 7.314 0.000 A 59 ASN HA H 1 4.558 0.000 A 59 ASN HBy H 1 2.762 0.000 A 59 ASN HBx H 1 2.656 0.000 A 59 ASN HD2y H 1 7.611 0.000 A 59 ASN HD2x H 1 7.474 0.000 A 59 ASN CA C 13 55.781 0.000 A 59 ASN CB C 13 40.250 0.000 A 59 ASN N N 15 120.376 0.000 A 59 ASN ND2 N 15 113.733 0.000 A 60 HIS H H 1 8.316 0.000 A 60 HIS HA H 1 4.162 0.000 A 60 HIS HBy H 1 3.246 0.000 A 60 HIS HBx H 1 3.183 0.000 A 60 HIS HD2 H 1 7.117 0.000 A 60 HIS C C 13 176.962 0.000 A 60 HIS CA C 13 60.655 0.000 A 60 HIS CB C 13 30.970 0.000 A 60 HIS CD2 C 13 119.364 0.000 A 60 HIS N N 15 121.184 0.000 A 61 THR H H 1 7.740 0.000 A 61 THR HA H 1 3.882 0.000 A 61 THR HB H 1 4.308 0.000 A 61 THR HG2% H 1 1.105 0.000 A 61 THR C C 13 177.290 0.000 A 61 THR CA C 13 66.759 0.000 A 61 THR CB C 13 68.434 0.000 A 61 THR CG2 C 13 22.146 0.000 A 61 THR N N 15 117.762 0.000 A 62 VAL H H 1 8.515 0.000 A 62 VAL HA H 1 3.782 0.000 A 62 VAL HB H 1 2.105 0.000 A 62 VAL HGx% H 1 1.050 0.000 A 62 VAL HGy% H 1 0.856 0.000 A 62 VAL C C 13 176.145 0.000 A 62 VAL CA C 13 66.456 0.000 A 62 VAL CB C 13 32.059 0.000 A 62 VAL CG1 C 13 21.337 0.000 A 62 VAL CG2 C 13 21.474 0.000 A 62 VAL N N 15 123.241 0.000 A 63 LYS H H 1 8.314 0.000 A 63 LYS HA H 1 3.999 0.000 A 63 LYS HBx H 1 1.798 0.000 A 63 LYS HBy H 1 1.798 0.000 A 63 LYS HDx H 1 1.660 0.000 A 63 LYS HDy H 1 1.660 0.000 A 63 LYS HEx H 1 2.972 0.000 A 63 LYS HEy H 1 2.972 0.000 A 63 LYS HGx H 1 1.680 0.000 A 63 LYS HGy H 1 1.680 0.000 A 63 LYS C C 13 179.900 0.000 A 63 LYS CA C 13 60.826 0.000 A 63 LYS CB C 13 32.156 0.000 A 63 LYS CD C 13 30.051 0.000 A 63 LYS CE C 13 41.543 0.000 A 63 LYS CG C 13 25.690 0.000 A 63 LYS N N 15 121.354 0.000 A 64 GLN H H 1 8.045 0.000 A 64 GLN HA H 1 4.026 0.000 A 64 GLN HBx H 1 2.126 0.000 A 64 GLN HBy H 1 2.126 0.000 A 64 GLN HE2y H 1 7.253 0.000 A 64 GLN HE2x H 1 6.880 0.000 A 64 GLN HGy H 1 2.374 0.000 A 64 GLN HGx H 1 2.306 0.000 A 64 GLN C C 13 177.879 0.000 A 64 GLN CA C 13 58.982 0.000 A 64 GLN CB C 13 28.555 0.000 A 64 GLN CG C 13 33.782 0.000 A 64 GLN N N 15 118.813 0.000 A 64 GLN NE2 N 15 111.859 0.001 A 65 TRP H H 1 7.969 0.000 A 65 TRP HA H 1 4.267 0.000 A 65 TRP HBx H 1 3.241 0.000 A 65 TRP HBy H 1 3.530 0.000 A 65 TRP HD1 H 1 7.222 0.000 A 65 TRP HE1 H 1 10.007 0.000 A 65 TRP HE3 H 1 7.548 0.000 A 65 TRP HH2 H 1 6.849 0.000 A 65 TRP HZ2 H 1 7.314 0.000 A 65 TRP HZ3 H 1 6.779 0.000 A 65 TRP C C 13 178.104 0.000 A 65 TRP CA C 13 61.633 0.000 A 65 TRP CB C 13 29.264 0.000 A 65 TRP CD1 C 13 127.129 0.000 A 65 TRP CE3 C 13 120.400 0.000 A 65 TRP CH2 C 13 124.282 0.000 A 65 TRP CZ2 C 13 114.705 0.000 A 65 TRP CZ3 C 13 121.435 0.000 A 65 TRP N N 15 121.887 0.000 A 65 TRP NE1 N 15 130.898 0.000 A 66 MET H H 1 8.875 0.000 A 66 MET HA H 1 3.410 0.000 A 66 MET HBy H 1 2.199 0.000 A 66 MET HBx H 1 1.998 0.000 A 66 MET HGy H 1 3.093 0.000 A 66 MET HGx H 1 2.473 0.000 A 66 MET C C 13 178.955 0.000 A 66 MET CA C 13 59.891 0.000 A 66 MET CB C 13 33.451 0.000 A 66 MET CG C 13 33.276 0.000 A 66 MET N N 15 118.164 0.000 A 67 LYS H H 1 7.545 0.000 A 67 LYS HA H 1 3.932 0.000 A 67 LYS HBx H 1 1.915 0.000 A 67 LYS HBy H 1 1.915 0.000 A 67 LYS HDx H 1 1.631 0.000 A 67 LYS HDy H 1 1.631 0.000 A 67 LYS HEx H 1 2.912 0.000 A 67 LYS HEy H 1 2.912 0.000 A 67 LYS HGy H 1 1.535 0.000 A 67 LYS HGx H 1 1.336 0.000 A 67 LYS C C 13 179.386 0.000 A 67 LYS CA C 13 59.729 0.000 A 67 LYS CB C 13 32.480 0.000 A 67 LYS CD C 13 30.214 0.000 A 67 LYS CE C 13 42.531 0.000 A 67 LYS CG C 13 25.358 0.000 A 67 LYS N N 15 119.759 0.000 A 68 VAL H H 1 7.811 0.000 A 68 VAL HA H 1 3.625 0.000 A 68 VAL HB H 1 2.116 0.000 A 68 VAL HGx% H 1 1.034 0.000 A 68 VAL HGy% H 1 0.852 0.000 A 68 VAL C C 13 179.432 0.000 A 68 VAL CA C 13 66.237 0.000 A 68 VAL CB C 13 31.837 0.000 A 68 VAL CG1 C 13 22.400 0.000 A 68 VAL CG2 C 13 21.194 0.000 A 68 VAL N N 15 120.679 0.000 A 69 GLN H H 1 8.088 0.000 A 69 GLN HA H 1 3.621 0.000 A 69 GLN HBx H 1 1.443 0.000 A 69 GLN HBy H 1 1.663 0.000 A 69 GLN HE2x H 1 6.202 0.000 A 69 GLN HE2y H 1 6.865 0.000 A 69 GLN HGy H 1 1.465 0.000 A 69 GLN HGx H 1 1.101 0.000 A 69 GLN C C 13 178.506 0.000 A 69 GLN CA C 13 57.862 0.000 A 69 GLN CB C 13 28.343 0.000 A 69 GLN CG C 13 32.482 0.002 A 69 GLN N N 15 118.101 0.000 A 69 GLN NE2 N 15 113.743 0.002 A 70 ALA H H 1 7.701 0.000 A 70 ALA HA H 1 3.893 0.000 A 70 ALA HB% H 1 1.343 0.000 A 70 ALA C C 13 178.394 0.000 A 70 ALA CA C 13 54.199 0.000 A 70 ALA CB C 13 18.267 0.000 A 70 ALA N N 15 119.775 0.000 A 71 ALA H H 1 7.248 0.000 A 71 ALA HA H 1 4.228 0.000 A 71 ALA HB% H 1 1.388 0.000 A 71 ALA C C 13 178.581 0.000 A 71 ALA CA C 13 52.873 0.000 A 71 ALA CB C 13 19.058 0.000 A 71 ALA N N 15 118.697 0.000 A 72 LYS H H 1 7.232 0.000 A 72 LYS HA H 1 4.106 0.000 A 72 LYS HBx H 1 1.739 0.000 A 72 LYS HBy H 1 1.739 0.000 A 72 LYS HDx H 1 1.561 0.000 A 72 LYS HDy H 1 1.561 0.000 A 72 LYS HEx H 1 2.856 0.000 A 72 LYS HEy H 1 2.856 0.000 A 72 LYS HGx H 1 1.383 0.000 A 72 LYS HGy H 1 1.383 0.000 A 72 LYS C C 13 176.286 0.000 A 72 LYS CA C 13 57.574 0.000 A 72 LYS CB C 13 33.127 0.000 A 72 LYS CD C 13 29.566 0.000 A 72 LYS CE C 13 42.191 0.000 A 72 LYS CG C 13 25.682 0.000 A 72 LYS N N 15 118.697 0.000 A 73 LYS H H 1 8.153 0.000 A 73 LYS HA H 1 4.232 0.000 A 73 LYS HBy H 1 1.906 0.000 A 73 LYS HBx H 1 1.782 0.000 A 73 LYS HDx H 1 1.675 0.000 A 73 LYS HDy H 1 1.675 0.000 A 73 LYS HEx H 1 2.964 0.000 A 73 LYS HEy H 1 2.964 0.000 A 73 LYS HGx H 1 1.352 0.003 A 73 LYS HGy H 1 1.352 0.003 A 73 LYS C C 13 176.993 0.000 A 73 LYS CA C 13 56.772 0.000 A 73 LYS CB C 13 32.931 0.000 A 73 LYS CD C 13 29.133 0.000 A 73 LYS CE C 13 42.779 0.000 A 73 LYS CG C 13 25.039 0.000 A 73 LYS N N 15 123.074 0.000 A 74 ASN H H 1 8.378 0.000 A 74 ASN HA H 1 4.514 0.000 A 74 ASN HBy H 1 2.914 0.000 A 74 ASN HBx H 1 2.801 0.000 A 74 ASN HD2y H 1 7.551 0.000 A 74 ASN HD2x H 1 6.873 0.000 A 74 ASN C C 13 175.580 0.000 A 74 ASN CA C 13 54.163 0.000 A 74 ASN CB C 13 37.983 0.000 A 74 ASN N N 15 116.989 0.000 A 74 ASN ND2 N 15 112.779 0.000 A 75 GLY H H 1 8.275 0.000 A 75 GLY HAy H 1 4.013 0.000 A 75 GLY HAx H 1 3.846 0.000 A 75 GLY C C 13 175.007 0.000 A 75 GLY CA C 13 46.079 0.000 A 75 GLY N N 15 107.247 0.000 A 76 LYS H H 1 7.769 0.000 A 76 LYS HA H 1 4.327 0.000 A 76 LYS HBy H 1 1.908 0.000 A 76 LYS HBx H 1 1.690 0.000 A 76 LYS HDx H 1 1.324 0.000 A 76 LYS HDy H 1 1.324 0.000 A 76 LYS HEx H 1 2.956 0.000 A 76 LYS HEy H 1 2.956 0.000 A 76 LYS HGx H 1 1.397 0.000 A 76 LYS HGy H 1 1.397 0.000 A 76 LYS C C 13 177.176 0.000 A 76 LYS CA C 13 56.180 0.000 A 76 LYS CB C 13 32.781 0.000 A 76 LYS CD C 13 29.128 0.000 A 76 LYS CE C 13 42.407 0.000 A 76 LYS CG C 13 25.283 0.000 A 76 LYS N N 15 119.128 0.000 A 77 GLY H H 1 8.317 0.000 A 77 GLY HAy H 1 3.952 0.001 A 77 GLY HAx H 1 3.866 0.000 A 77 GLY C C 13 173.285 0.000 A 77 GLY CA C 13 45.272 0.000 A 77 GLY N N 15 108.797 0.000 A 78 ASN H H 1 7.738 0.000 A 78 ASN HA H 1 4.677 0.000 A 78 ASN HBy H 1 2.672 0.000 A 78 ASN HBx H 1 2.530 0.000 A 78 ASN HD2y H 1 7.437 0.000 A 78 ASN HD2x H 1 6.596 0.000 A 78 ASN C C 13 174.576 0.000 A 78 ASN CA C 13 52.846 0.000 A 78 ASN CB C 13 39.037 0.116 A 78 ASN N N 15 119.642 0.000 A 78 ASN ND2 N 15 111.697 0.000 A 79 VAL H H 1 7.882 0.000 A 79 VAL HA H 1 3.830 0.000 A 79 VAL HB H 1 1.895 0.000 A 79 VAL HGx% H 1 0.725 0.000 A 79 VAL HGy% H 1 0.745 0.000 A 79 VAL C C 13 176.120 0.000 A 79 VAL CA C 13 62.770 0.000 A 79 VAL CB C 13 32.982 0.000 A 79 VAL CG1 C 13 21.194 0.000 A 79 VAL CG2 C 13 20.698 0.000 A 79 VAL N N 15 120.201 0.000 A 80 CYS H H 1 8.283 0.000 A 80 CYS HA H 1 4.839 0.000 A 80 CYS HBy H 1 2.836 0.000 A 80 CYS HBx H 1 2.749 0.000 A 80 CYS C C 13 174.296 0.000 A 80 CYS CA C 13 54.486 0.000 A 80 CYS CB C 13 43.809 0.000 A 80 CYS N N 15 120.413 0.000 A 81 HIS H H 1 8.047 0.000 A 81 HIS HA H 1 4.593 0.000 A 81 HIS HBy H 1 3.156 0.000 A 81 HIS HBx H 1 2.974 0.000 A 81 HIS HD2 H 1 7.075 0.000 A 81 HIS C C 13 175.072 0.000 A 81 HIS CA C 13 56.457 0.000 A 81 HIS CB C 13 32.480 0.000 A 81 HIS CD2 C 13 120.141 0.000 A 81 HIS N N 15 121.936 0.000 A 82 ARG H H 1 8.617 0.000 A 82 ARG HA H 1 4.498 0.000 A 82 ARG HBy H 1 1.819 0.000 A 82 ARG HBx H 1 1.700 0.000 A 82 ARG HDx H 1 3.120 0.000 A 82 ARG HDy H 1 3.120 0.000 A 82 ARG HGx H 1 1.594 0.000 A 82 ARG HGy H 1 1.594 0.000 A 82 ARG C C 13 175.905 0.000 A 82 ARG CA C 13 56.180 0.000 A 82 ARG CB C 13 31.858 0.000 A 82 ARG CD C 13 43.900 0.000 A 82 ARG CG C 13 27.812 0.000 A 82 ARG N N 15 122.589 0.000 A 83 LYS H H 1 8.528 0.000 A 83 LYS HA H 1 4.277 0.000 A 83 LYS HBy H 1 1.792 0.000 A 83 LYS HBx H 1 1.673 0.000 A 83 LYS HEx H 1 2.948 0.000 A 83 LYS HEy H 1 2.948 0.000 A 83 LYS HGx H 1 1.392 0.000 A 83 LYS HGy H 1 1.392 0.000 A 83 LYS C C 13 176.270 0.000 A 83 LYS CA C 13 56.664 0.000 A 83 LYS CB C 13 33.779 0.000 A 83 LYS CE C 13 42.191 0.000 A 83 LYS CG C 13 25.182 0.000 A 83 LYS N N 15 124.179 0.000 A 84 LYS H H 1 8.516 0.000 A 84 LYS HA H 1 4.262 0.000 A 84 LYS HBx H 1 1.674 0.000 A 84 LYS HBy H 1 1.674 0.000 A 84 LYS HDx H 1 1.324 0.000 A 84 LYS HDy H 1 1.324 0.000 A 84 LYS HEx H 1 2.950 0.000 A 84 LYS HEy H 1 2.950 0.000 A 84 LYS HGx H 1 1.398 0.000 A 84 LYS HGy H 1 1.398 0.000 A 84 LYS C C 13 176.270 0.243 A 84 LYS CA C 13 56.603 0.000 A 84 LYS CB C 13 33.320 0.000 A 84 LYS CD C 13 29.482 0.000 A 84 LYS CE C 13 42.407 0.000 A 84 LYS CG C 13 25.081 0.000 A 84 LYS N N 15 125.283 0.000 A 85 HIS H H 1 8.402 0.000 A 85 HIS HA H 1 4.481 0.000 A 85 HIS HBy H 1 3.096 0.000 A 85 HIS HBx H 1 2.814 0.000 A 85 HIS HD2 H 1 7.043 0.000 A 85 HIS CA C 13 57.405 0.000 A 85 HIS CB C 13 31.509 0.000 A 85 HIS CD2 C 13 119.105 0.000 A 85 HIS N N 15 120.570 0.000 A 86 HIS HA H 1 4.567 0.000 A 86 HIS HBx H 1 2.985 0.000 A 86 HIS HBy H 1 2.985 0.000 A 86 HIS HD2 H 1 6.976 0.000 A 86 HIS C C 13 175.546 0.000 A 86 HIS CA C 13 56.169 0.041 A 86 HIS CB C 13 31.346 0.000 A 86 HIS CD2 C 13 120.658 0.000 A 87 GLY H H 1 8.339 0.000 A 87 GLY HAy H 1 3.955 0.000 A 87 GLY HAx H 1 3.861 0.000 A 87 GLY C C 13 174.142 0.313 A 87 GLY CA C 13 45.402 0.000 A 87 GLY N N 15 110.516 0.000 A 88 LYS H H 1 8.249 0.000 A 88 LYS HA H 1 4.228 0.000 A 88 LYS HBx H 1 1.683 0.000 A 88 LYS HBy H 1 1.683 0.000 A 88 LYS HDx H 1 1.383 0.000 A 88 LYS HDy H 1 1.383 0.000 A 88 LYS HEx H 1 2.946 0.000 A 88 LYS HEy H 1 2.946 0.000 A 88 LYS HGx H 1 1.310 0.000 A 88 LYS HGy H 1 1.310 0.000 A 88 LYS C C 13 176.831 0.000 A 88 LYS CA C 13 56.413 0.000 A 88 LYS CB C 13 33.505 0.000 A 88 LYS CD C 13 29.533 0.000 A 88 LYS CE C 13 41.867 0.000 A 88 LYS CG C 13 25.182 0.000 A 88 LYS N N 15 119.837 0.000 A 89 ARG H H 1 8.442 0.000 A 89 ARG HA H 1 4.256 0.000 A 89 ARG HBx H 1 1.796 0.000 A 89 ARG HBy H 1 1.796 0.000 A 89 ARG HDx H 1 3.131 0.000 A 89 ARG HDy H 1 3.131 0.000 A 89 ARG HGx H 1 1.579 0.000 A 89 ARG HGy H 1 1.579 0.000 A 89 ARG C C 13 176.176 0.000 A 89 ARG CA C 13 56.477 0.000 A 89 ARG CB C 13 30.863 0.000 A 89 ARG CD C 13 43.698 0.000 A 89 ARG CG C 13 27.610 0.000 A 89 ARG N N 15 122.836 0.000 A 90 ASN H H 1 8.533 0.000 A 90 ASN HA H 1 4.676 0.000 A 90 ASN HBx H 1 2.722 0.000 A 90 ASN HBy H 1 2.722 0.000 A 90 ASN HD2y H 1 7.451 0.004 A 90 ASN HD2x H 1 6.797 0.005 A 90 ASN C C 13 175.363 0.000 A 90 ASN CA C 13 53.839 0.000 A 90 ASN CB C 13 39.147 0.000 A 90 ASN N N 15 120.701 0.000 A 90 ASN ND2 N 15 112.706 0.000 A 91 SER H H 1 8.302 0.000 A 91 SER HA H 1 4.433 0.000 A 91 SER HBx H 1 3.866 0.000 A 91 SER HBy H 1 3.866 0.000 A 91 SER C C 13 174.399 0.000 A 91 SER CA C 13 58.654 0.000 A 91 SER CB C 13 64.172 0.000 A 91 SER N N 15 116.662 0.000 A 92 ASN H H 1 8.368 0.000 A 92 ASN HA H 1 4.662 0.000 A 92 ASN HBx H 1 2.787 0.000 A 92 ASN HBy H 1 2.787 0.000 A 92 ASN HD2y H 1 6.756 0.000 A 92 ASN HD2x H 1 6.267 0.000 A 92 ASN C C 13 175.390 0.000 A 92 ASN CA C 13 53.579 0.000 A 92 ASN CB C 13 39.202 0.000 A 92 ASN N N 15 121.006 0.000 A 92 ASN ND2 N 15 113.219 0.000 A 93 ARG H H 1 8.209 0.000 A 93 ARG HA H 1 4.251 0.000 A 93 ARG HBy H 1 1.795 0.000 A 93 ARG HBx H 1 1.709 0.000 A 93 ARG HDx H 1 3.127 0.000 A 93 ARG HDy H 1 3.127 0.000 A 93 ARG HGx H 1 1.588 0.000 A 93 ARG HGy H 1 1.588 0.000 A 93 ARG C C 13 176.167 0.000 A 93 ARG CA C 13 56.457 0.000 A 93 ARG CB C 13 30.862 0.000 A 93 ARG CD C 13 43.496 0.000 A 93 ARG CG C 13 27.509 0.000 A 93 ARG N N 15 121.537 0.000 A 94 ALA H H 1 8.204 0.000 A 94 ALA HA H 1 4.208 0.000 A 94 ALA HB% H 1 1.270 0.000 A 94 ALA C C 13 177.692 0.000 A 94 ALA CA C 13 52.948 0.000 A 94 ALA CB C 13 19.391 0.000 A 94 ALA N N 15 124.533 0.000 A 95 HIS H H 1 8.223 0.000 A 95 HIS HA H 1 4.566 0.000 A 95 HIS HBy H 1 3.107 0.000 A 95 HIS HBx H 1 3.034 0.000 A 95 HIS C C 13 175.297 0.000 A 95 HIS CA C 13 56.331 0.000 A 95 HIS CB C 13 30.537 0.000 A 95 HIS N N 15 118.401 0.000 A 96 GLN H H 1 8.203 0.000 A 96 GLN HA H 1 4.282 0.000 A 96 GLN HBy H 1 2.062 0.000 A 96 GLN HBx H 1 1.914 0.000 A 96 GLN HGx H 1 2.279 0.000 A 96 GLN HGy H 1 2.279 0.000 A 96 GLN C C 13 176.295 0.000 A 96 GLN CA C 13 56.157 0.000 A 96 GLN CB C 13 29.566 0.000 A 96 GLN CG C 13 34.086 0.000 A 96 GLN N N 15 121.698 0.000 A 97 GLY H H 1 8.435 0.000 A 97 GLY HAy H 1 3.915 0.000 A 97 GLY HAx H 1 3.829 0.000 A 97 GLY C C 13 173.996 0.000 A 97 GLY CA C 13 45.348 0.000 A 97 GLY N N 15 110.344 0.000 A 98 LYS H H 1 8.204 0.000 A 98 LYS N N 15 120.902 0.000 A 100 GLU HA H 1 4.241 0.000 A 100 GLU HBx H 1 1.818 0.000 A 100 GLU HBy H 1 1.818 0.000 A 100 GLU HGx H 1 2.115 0.000 A 100 GLU HGy H 1 2.115 0.000 A 100 GLU C C 13 176.445 0.000 A 100 GLU CA C 13 56.755 0.000 A 100 GLU CB C 13 30.531 0.000 A 100 GLU CG C 13 36.514 0.000 A 101 THR H H 1 8.157 0.000 A 101 THR HA H 1 4.209 0.000 A 101 THR HB H 1 4.074 0.000 A 101 THR HG2% H 1 1.044 0.000 A 101 THR C C 13 174.389 0.000 A 101 THR CA C 13 62.088 0.000 A 101 THR CB C 13 70.099 0.000 A 101 THR CG2 C 13 22.045 0.000 A 101 THR N N 15 115.153 0.000 A 102 TYR H H 1 8.195 0.000 A 102 TYR HA H 1 4.504 0.000 A 102 TYR HBy H 1 3.019 0.000 A 102 TYR HBx H 1 2.884 0.000 A 102 TYR HD1 H 1 7.045 0.002 A 102 TYR HD2 H 1 7.045 0.002 A 102 TYR HE1 H 1 6.763 0.000 A 102 TYR HE2 H 1 6.763 0.000 A 102 TYR C C 13 176.361 0.000 A 102 TYR CA C 13 58.326 0.000 A 102 TYR CB C 13 38.767 0.000 A 102 TYR CD1 C 13 133.342 0.000 A 102 TYR CE1 C 13 118.329 0.000 A 102 TYR N N 15 122.527 0.000 A 103 GLY H H 1 8.245 0.000 A 103 GLY HAy H 1 3.828 0.000 A 103 GLY HAx H 1 3.762 0.000 A 103 GLY C C 13 173.900 0.000 A 103 GLY CA C 13 45.424 0.000 A 103 GLY N N 15 110.491 0.000 A 104 HIS H H 1 8.108 0.000 A 104 HIS HA H 1 4.572 0.000 A 104 HIS HBy H 1 3.091 0.000 A 104 HIS HBx H 1 3.016 0.000 A 104 HIS C C 13 175.072 0.000 A 104 HIS CA C 13 56.130 0.000 A 104 HIS CB C 13 30.751 0.000 A 104 HIS N N 15 119.004 0.000 A 105 LYS H H 1 8.364 0.000 A 105 LYS HA H 1 4.279 0.000 A 105 LYS HBy H 1 1.787 0.000 A 105 LYS HBx H 1 1.679 0.000 A 105 LYS HDx H 1 1.317 0.000 A 105 LYS HDy H 1 1.317 0.000 A 105 LYS HEx H 1 2.954 0.000 A 105 LYS HEy H 1 2.954 0.000 A 105 LYS HGx H 1 1.393 0.000 A 105 LYS HGy H 1 1.393 0.000 A 105 LYS C C 13 175.885 0.488 A 105 LYS CA C 13 56.505 0.000 A 105 LYS CB C 13 33.301 0.000 A 105 LYS CD C 13 29.533 0.000 A 105 LYS CE C 13 42.180 0.000 A 105 LYS CG C 13 24.979 0.000 A 105 LYS N N 15 122.651 0.000 A 106 THR H H 1 8.421 0.000 A 106 THR C C 13 173.054 0.000 A 106 THR N N 15 128.120 0.000 A 107 PRO HA H 1 4.609 0.000 A 107 PRO HBy H 1 2.246 0.000 A 107 PRO HBx H 1 2.051 0.000 A 107 PRO HDx H 1 3.424 0.000 A 107 PRO HDy H 1 3.491 0.000 A 107 PRO HGx H 1 1.588 0.000 A 107 PRO HGy H 1 1.831 0.000 A 107 PRO C C 13 175.367 0.211 A 107 PRO CA C 13 63.231 0.000 A 107 PRO CB C 13 34.422 0.000 A 107 PRO CD C 13 50.283 0.000 A 107 PRO CG C 13 24.387 0.000 A 108 TYR H H 1 7.353 0.000 A 108 TYR HA H 1 4.322 0.000 A 108 TYR HBy H 1 3.007 0.000 A 108 TYR HBx H 1 2.874 0.000 A 108 TYR HD1 H 1 7.042 0.000 A 108 TYR HD2 H 1 7.042 0.000 A 108 TYR HE1 H 1 6.755 0.000 A 108 TYR HE2 H 1 6.755 0.000 A 108 TYR CA C 13 59.347 0.000 A 108 TYR CB C 13 39.601 0.000 A 108 TYR CD1 C 13 133.342 0.000 A 108 TYR CE1 C 13 118.329 0.000 A 108 TYR N N 15 124.019 0.000 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 4 ILE HG2% A 4 ILE HD1% 1.0 . 2.40 2 2 A 4 ILE HD1% A 4 ILE HA 1.0 . 4.44 3 3 A 4 ILE HD1% A 4 ILE HB 1.0 . 3.64 4 4 A 7 ILE HA A 7 ILE HG2% 1.0 . 4.22 5 5 A 7 ILE HG2% A 7 ILE HD1% 1.0 . 2.40 6 6 A 7 ILE HA A 7 ILE HD1% 1.0 . 4.95 7 7 A 7 ILE HD1% A 7 ILE HB 1.0 . 3.30 8 8 A 13 THR HA A 13 THR HG2% 1.0 . 3.63 9 9 A 14 GLU HA A 14 GLU HGx 1.0 . 3.91 10 9 A 14 GLU HA A 14 GLU HGy 1.0 . 3.91 11 10 A 15 VAL HA A 15 VAL HGx% 1.0 . 3.98 12 11 A 19 ILE HA A 19 ILE HG2% 1.0 . 3.94 13 12 A 19 ILE HB A 19 ILE HD1% 1.0 . 3.92 14 13 A 21 ARG HA A 21 ARG HDx 1.0 . 4.34 15 13 A 21 ARG HA A 21 ARG HDy 1.0 . 4.34 16 14 A 21 ARG HBy A 21 ARG HDx 1.0 . 3.67 17 14 A 21 ARG HBx A 21 ARG HDx 1.0 . 3.67 18 14 A 21 ARG HDy A 21 ARG HBx 1.0 . 3.67 19 14 A 21 ARG HDy A 21 ARG HBy 1.0 . 3.67 20 15 A 21 ARG HA A 21 ARG HGx 1.0 . 4.25 21 15 A 21 ARG HA A 21 ARG HGy 1.0 . 4.25 22 16 A 22 ARG HA A 22 ARG HGx 1.0 . 4.25 23 16 A 22 ARG HA A 22 ARG HGy 1.0 . 4.25 24 17 A 22 ARG HBy A 22 ARG HGx 1.0 . 2.87 25 17 A 22 ARG HGy A 22 ARG HBx 1.0 . 2.87 26 17 A 22 ARG HGy A 22 ARG HBy 1.0 . 2.87 27 17 A 22 ARG HBx A 22 ARG HGx 1.0 . 2.87 28 18 A 22 ARG HA A 22 ARG HDx 1.0 . 4.89 29 18 A 22 ARG HA A 22 ARG HDy 1.0 . 4.89 30 19 A 22 ARG HBy A 22 ARG HDx 1.0 . 3.89 31 19 A 22 ARG HBx A 22 ARG HDx 1.0 . 3.89 32 19 A 22 ARG HDy A 22 ARG HBx 1.0 . 3.89 33 19 A 22 ARG HBy A 22 ARG HDy 1.0 . 3.89 34 20 A 23 LEU HBx A 23 LEU HDy% 1.0 . 3.94 35 20 A 23 LEU HBy A 23 LEU HDy% 1.0 . 3.94 36 21 A 23 LEU HA A 23 LEU HDy% 1.0 . 4.17 37 22 A 24 LEU HA A 24 LEU HDx% 1.0 . 4.54 38 23 A 24 LEU HDx% A 24 LEU HBy 1.0 . 4.00 39 24 A 24 LEU HDx% A 24 LEU HBx 1.0 . 3.03 40 25 A 24 LEU HA A 24 LEU HDy% 1.0 . 3.64 41 26 A 24 LEU HBx A 24 LEU HDy% 1.0 . 3.98 42 27 A 26 ARG HA A 26 ARG HDx 1.0 . 4.98 43 27 A 26 ARG HA A 26 ARG HDy 1.0 . 4.98 44 28 A 27 VAL HA A 27 VAL HGy% 1.0 . 3.49 45 29 A 31 ARG HA A 31 ARG HDy 1.0 . 5.50 46 30 A 31 ARG HDy A 31 ARG HBx 1.0 . 4.14 47 30 A 31 ARG HBy A 31 ARG HDy 1.0 . 4.14 48 31 A 32 ILE HA A 31 ARG HBx 1.0 . 5.06 49 31 A 31 ARG HBy A 32 ILE HA 1.0 . 5.06 50 32 A 32 ILE HA A 32 ILE HD1% 1.0 . 4.07 51 33 A 32 ILE HA A 32 ILE HG2% 1.0 . 4.01 52 34 A 32 ILE HD1% A 32 ILE HB 1.0 . 4.22 53 35 A 34 ARG HA A 34 ARG HDx 1.0 . 5.31 54 35 A 34 ARG HA A 34 ARG HDy 1.0 . 5.31 55 36 A 26 ARG HBx A 26 ARG HDx 1.0 . 3.40 56 36 A 26 ARG HDy A 26 ARG HBx 1.0 . 3.40 57 37 A 41 LEU HA A 41 LEU HDx% 1.0 . 4.23 58 38 A 41 LEU HA A 41 LEU HDy% 1.0 . 4.23 59 39 A 44 VAL HA A 44 VAL HGx% 1.0 . 4.10 60 40 A 44 VAL HA A 44 VAL HGy% 1.0 . 4.10 61 41 A 45 ILE HA A 45 ILE HG2% 1.0 . 3.99 62 42 A 45 ILE HB A 45 ILE HD1% 1.0 . 3.92 63 43 A 45 ILE HG2% A 45 ILE HG1x 1.0 . 3.86 64 44 A 46 LEU HA A 46 LEU HDx% 1.0 . 5.46 65 45 A 48 VAL HA A 48 VAL HGx% 1.0 . 4.20 66 46 A 48 VAL HA A 48 VAL HGy% 1.0 . 4.20 67 47 A 49 LYS HA A 49 LYS HDx 1.0 . 4.44 68 47 A 49 LYS HA A 49 LYS HDy 1.0 . 4.44 69 48 A 49 LYS HA A 49 LYS HEx 1.0 . 5.50 70 48 A 49 LYS HA A 49 LYS HEy 1.0 . 5.50 71 49 A 49 LYS HBy A 49 LYS HEx 1.0 . 5.50 72 49 A 49 LYS HEy A 49 LYS HBy 1.0 . 5.50 73 50 A 49 LYS HBx A 49 LYS HDx 1.0 . 3.62 74 50 A 49 LYS HDy A 49 LYS HBx 1.0 . 3.62 75 51 A 49 LYS HBx A 49 LYS HEx 1.0 . 5.15 76 51 A 49 LYS HEy A 49 LYS HBx 1.0 . 5.15 77 52 A 49 LYS HBy A 49 LYS HDx 1.0 . 4.15 78 52 A 49 LYS HDy A 49 LYS HBy 1.0 . 4.15 79 53 A 50 ARG HDy A 50 ARG HBx 1.0 . 3.91 80 53 A 50 ARG HBx A 50 ARG HDx 1.0 . 3.91 81 54 A 50 ARG HA A 50 ARG HDx 1.0 . 4.58 82 54 A 50 ARG HDy A 50 ARG HA 1.0 . 4.58 83 55 A 50 ARG HDy A 50 ARG HBy 1.0 . 3.91 84 55 A 50 ARG HBy A 50 ARG HDx 1.0 . 3.91 85 56 A 51 ARG HA A 51 ARG HDx 1.0 . 5.18 86 56 A 51 ARG HA A 51 ARG HDy 1.0 . 5.18 87 57 A 51 ARG HBx A 51 ARG HDx 1.0 . 3.76 88 57 A 51 ARG HBy A 51 ARG HDx 1.0 . 3.76 89 57 A 51 ARG HDy A 51 ARG HBx 1.0 . 3.76 90 57 A 51 ARG HDy A 51 ARG HBy 1.0 . 3.76 91 58 A 52 ARG HA A 52 ARG HDy 1.0 . 5.50 92 59 A 53 ILE HA A 53 ILE HD1% 1.0 . 5.41 93 60 A 53 ILE HD1% A 53 ILE HB 1.0 . 3.94 94 61 A 53 ILE HA A 53 ILE HG2% 1.0 . 3.87 95 62 A 53 ILE HD1% A 53 ILE HG2% 1.0 . 2.93 96 63 A 53 ILE HG2% A 55 VAL HA 1.0 . 5.50 97 64 A 23 LEU HG A 23 LEU HBx 1.0 . 2.86 98 64 A 23 LEU HBy A 23 LEU HG 1.0 . 2.86 99 65 A 61 THR HA A 61 THR HG2% 1.0 . 3.79 100 66 A 62 VAL HA A 62 VAL HGx% 1.0 . 4.10 101 67 A 63 LYS HBy A 63 LYS HEx 1.0 . 4.60 102 67 A 63 LYS HBx A 63 LYS HEx 1.0 . 4.60 103 67 A 63 LYS HEy A 63 LYS HBx 1.0 . 4.60 104 67 A 63 LYS HBy A 63 LYS HEy 1.0 . 4.60 105 68 A 63 LYS HA A 63 LYS HDx 1.0 . 4.55 106 68 A 63 LYS HA A 63 LYS HDy 1.0 . 4.55 107 69 A 63 LYS HBy A 63 LYS HDx 1.0 . 3.09 108 69 A 63 LYS HDy A 63 LYS HBx 1.0 . 3.09 109 69 A 63 LYS HBy A 63 LYS HDy 1.0 . 3.09 110 69 A 63 LYS HBx A 63 LYS HDx 1.0 . 3.09 111 70 A 63 LYS HA A 63 LYS HEx 1.0 . 5.50 112 70 A 63 LYS HEy A 63 LYS HA 1.0 . 5.50 113 71 A 67 LYS HA A 67 LYS HDx 1.0 . 5.40 114 71 A 67 LYS HA A 67 LYS HDy 1.0 . 5.40 115 72 A 67 LYS HBx A 67 LYS HDx 1.0 . 3.41 116 72 A 67 LYS HBy A 67 LYS HDx 1.0 . 3.41 117 72 A 67 LYS HDy A 67 LYS HBx 1.0 . 3.41 118 72 A 67 LYS HDy A 67 LYS HBy 1.0 . 3.41 119 73 A 67 LYS HA A 67 LYS HEx 1.0 . 5.50 120 73 A 67 LYS HA A 67 LYS HEy 1.0 . 5.50 121 74 A 67 LYS HBx A 67 LYS HEx 1.0 . 5.09 122 74 A 67 LYS HBy A 67 LYS HEx 1.0 . 5.09 123 74 A 67 LYS HEy A 67 LYS HBx 1.0 . 5.09 124 74 A 67 LYS HBy A 67 LYS HEy 1.0 . 5.09 125 75 A 68 VAL HA A 68 VAL HGy% 1.0 . 3.99 126 76 A 68 VAL HA A 68 VAL HGx% 1.0 . 3.99 127 77 A 73 LYS HDy A 73 LYS HBy 1.0 . 3.12 128 77 A 73 LYS HBy A 73 LYS HDx 1.0 . 3.12 129 78 A 73 LYS HEy A 73 LYS HBx 1.0 . 5.11 130 78 A 73 LYS HBx A 73 LYS HEx 1.0 . 5.11 131 79 A 73 LYS HEx A 73 LYS HGx 1.0 . 4.24 132 79 A 73 LYS HEy A 73 LYS HGx 1.0 . 4.24 133 79 A 73 LYS HGy A 73 LYS HEx 1.0 . 4.24 134 79 A 73 LYS HEy A 73 LYS HGy 1.0 . 4.24 135 80 A 73 LYS HA A 73 LYS HDx 1.0 . 5.26 136 80 A 73 LYS HDy A 73 LYS HA 1.0 . 5.26 137 81 A 73 LYS HDy A 73 LYS HBx 1.0 . 3.12 138 81 A 73 LYS HBx A 73 LYS HDx 1.0 . 3.12 139 82 A 73 LYS HDy A 73 LYS HGx 1.0 . 2.78 140 82 A 73 LYS HDx A 73 LYS HGx 1.0 . 2.78 141 82 A 73 LYS HGy A 73 LYS HDx 1.0 . 2.78 142 82 A 73 LYS HDy A 73 LYS HGy 1.0 . 2.78 143 83 A 76 LYS HA A 76 LYS HDx 1.0 . 4.39 144 83 A 76 LYS HA A 76 LYS HDy 1.0 . 4.39 145 84 A 76 LYS HA A 76 LYS HEx 1.0 . 5.50 146 84 A 76 LYS HA A 76 LYS HEy 1.0 . 5.50 147 85 A 76 LYS HDy A 76 LYS HGx 1.0 . 2.40 148 85 A 76 LYS HDx A 76 LYS HGx 1.0 . 2.40 149 85 A 76 LYS HGy A 76 LYS HDx 1.0 . 2.40 150 85 A 76 LYS HDy A 76 LYS HGy 1.0 . 2.40 151 86 A 76 LYS HEy A 76 LYS HGx 1.0 . 3.37 152 86 A 76 LYS HEx A 76 LYS HGx 1.0 . 3.37 153 86 A 76 LYS HGy A 76 LYS HEx 1.0 . 3.37 154 86 A 76 LYS HEy A 76 LYS HGy 1.0 . 3.37 155 87 A 79 VAL HA A 79 VAL HGy% 1.0 . 3.96 156 88 A 79 VAL HA A 79 VAL HGx% 1.0 . 3.98 157 89 A 82 ARG HA A 82 ARG HDx 1.0 . 5.22 158 89 A 82 ARG HA A 82 ARG HDy 1.0 . 5.22 159 90 A 83 LYS HEy A 83 LYS HBy 1.0 . 5.26 160 90 A 83 LYS HBy A 83 LYS HEx 1.0 . 5.26 161 91 A 83 LYS HEy A 83 LYS HBx 1.0 . 5.26 162 91 A 83 LYS HBx A 83 LYS HEx 1.0 . 5.26 163 92 A 84 LYS HBx A 84 LYS HGx 1.0 . 2.61 164 92 A 84 LYS HGy A 84 LYS HBx 1.0 . 2.61 165 92 A 84 LYS HBy A 84 LYS HGy 1.0 . 2.61 166 92 A 84 LYS HBy A 84 LYS HGx 1.0 . 2.61 167 93 A 84 LYS HBx A 84 LYS HEx 1.0 . 5.33 168 93 A 84 LYS HBy A 84 LYS HEx 1.0 . 5.33 169 93 A 84 LYS HEy A 84 LYS HBx 1.0 . 5.33 170 93 A 84 LYS HBy A 84 LYS HEy 1.0 . 5.33 171 94 A 84 LYS HA A 84 LYS HDx 1.0 . 5.50 172 94 A 84 LYS HA A 84 LYS HDy 1.0 . 5.50 173 95 A 84 LYS HBx A 84 LYS HDx 1.0 . 3.16 174 95 A 84 LYS HBy A 84 LYS HDx 1.0 . 3.16 175 95 A 84 LYS HDy A 84 LYS HBx 1.0 . 3.16 176 95 A 84 LYS HBy A 84 LYS HDy 1.0 . 3.16 177 96 A 88 LYS HA A 88 LYS HEx 1.0 . 5.50 178 96 A 88 LYS HA A 88 LYS HEy 1.0 . 5.50 179 97 A 88 LYS HDy A 88 LYS HGx 1.0 . 2.40 180 97 A 88 LYS HDx A 88 LYS HGx 1.0 . 2.40 181 97 A 88 LYS HGy A 88 LYS HDx 1.0 . 2.40 182 97 A 88 LYS HGy A 88 LYS HDy 1.0 . 2.40 183 98 A 88 LYS HA A 88 LYS HDx 1.0 . 5.50 184 98 A 88 LYS HA A 88 LYS HDy 1.0 . 5.50 185 99 A 88 LYS HBx A 88 LYS HEx 1.0 . 3.82 186 99 A 88 LYS HBy A 88 LYS HEx 1.0 . 3.82 187 99 A 88 LYS HEy A 88 LYS HBx 1.0 . 3.82 188 99 A 88 LYS HEy A 88 LYS HBy 1.0 . 3.82 189 100 A 89 ARG HBx A 89 ARG HGx 1.0 . 2.81 190 100 A 89 ARG HBy A 89 ARG HGx 1.0 . 2.81 191 100 A 89 ARG HGy A 89 ARG HBx 1.0 . 2.81 192 100 A 89 ARG HBy A 89 ARG HGy 1.0 . 2.81 193 101 A 89 ARG HA A 89 ARG HDx 1.0 . 5.50 194 101 A 89 ARG HA A 89 ARG HDy 1.0 . 5.50 195 102 A 72 LYS HA A 72 LYS HEx 1.0 . 5.50 196 102 A 72 LYS HA A 72 LYS HEy 1.0 . 5.50 197 103 A 4 ILE HG2% A 4 ILE HG1y 1.0 . 3.50 198 104 A 4 ILE HG2% A 4 ILE HG1x 1.0 . 3.50 199 105 A 7 ILE HG2% A 7 ILE HG1y 1.0 . 3.91 200 106 A 7 ILE HG2% A 7 ILE HG1x 1.0 . 3.91 201 107 A 19 ILE HA A 19 ILE HD1% 1.0 . 4.34 202 108 A 23 LEU HBy A 23 LEU HDx% 1.0 . 3.94 203 108 A 23 LEU HDx% A 23 LEU HBx 1.0 . 3.94 204 109 A 32 ILE HD1% A 32 ILE HG2% 1.0 . 2.40 205 110 A 46 LEU HA A 46 LEU HDy% 1.0 . 5.46 206 111 A 72 LYS HEy A 72 LYS HGx 1.0 . 4.20 207 111 A 72 LYS HEx A 72 LYS HGx 1.0 . 4.20 208 111 A 72 LYS HGy A 72 LYS HEx 1.0 . 4.20 209 111 A 72 LYS HEy A 72 LYS HGy 1.0 . 4.20 210 112 A 72 LYS HBx A 72 LYS HDx 1.0 . 3.12 211 112 A 72 LYS HBy A 72 LYS HDx 1.0 . 3.12 212 112 A 72 LYS HDy A 72 LYS HBx 1.0 . 3.12 213 112 A 72 LYS HBy A 72 LYS HDy 1.0 . 3.12 214 113 A 72 LYS HA A 72 LYS HDx 1.0 . 4.42 215 113 A 72 LYS HA A 72 LYS HDy 1.0 . 4.42 216 114 A 71 ALA HB% A 72 LYS HDx 1.0 . 3.69 217 114 A 72 LYS HDy A 71 ALA HB% 1.0 . 3.69 218 115 A 72 LYS HBx A 72 LYS HEx 1.0 . 4.90 219 115 A 72 LYS HBy A 72 LYS HEx 1.0 . 4.90 220 115 A 72 LYS HEy A 72 LYS HBx 1.0 . 4.90 221 115 A 72 LYS HEy A 72 LYS HBy 1.0 . 4.90 222 116 A 73 LYS HA A 73 LYS HEx 1.0 . 5.50 223 116 A 73 LYS HEy A 73 LYS HA 1.0 . 5.50 224 117 A 41 LEU HA A 41 LEU HG 1.0 . 4.25 225 118 A 41 LEU HG A 41 LEU HBx 1.0 . 2.89 226 118 A 41 LEU HG A 41 LEU HBy 1.0 . 2.89 227 119 A 23 LEU HA A 23 LEU HG 1.0 . 4.22 228 120 A 23 LEU HA A 23 LEU HDx% 1.0 . 4.17 229 121 A 45 ILE HA A 45 ILE HD1% 1.0 . 4.56 230 122 A 45 ILE HG2% A 45 ILE HD1% 1.0 . 3.42 231 123 A 31 ARG HA A 31 ARG HDx 1.0 . 5.50 232 124 A 31 ARG HBx A 31 ARG HDx 1.0 . 4.14 233 124 A 31 ARG HBy A 31 ARG HDx 1.0 . 4.14 234 125 A 2 GLU HBx A 3 ALA H 1.0 . 5.19 235 126 A 3 ALA HB% A 7 ILE H 1.0 . 5.50 236 127 A 7 ILE HB A 7 ILE H 1.0 . 3.79 237 128 A 7 ILE HG2% A 7 ILE H 1.0 . 4.79 238 129 A 7 ILE HA A 8 ALA H 1.0 . 3.42 239 130 A 7 ILE HB A 8 ALA H 1.0 . 4.62 240 131 A 11 CYS H A 10 SER HBx 1.0 . 5.16 241 131 A 10 SER HBy A 11 CYS H 1.0 . 5.16 242 132 A 55 VAL HA A 16 SER HBx 1.0 . 4.64 243 132 A 55 VAL HA A 16 SER HBy 1.0 . 4.64 244 133 A 13 THR HA A 41 LEU HBx 1.0 . 5.47 245 133 A 13 THR HA A 41 LEU HBy 1.0 . 5.47 246 134 A 15 VAL H A 14 GLU HBy 1.0 . 4.13 247 135 A 14 GLU H A 14 GLU HBx 1.0 . 4.12 248 136 A 15 VAL H A 14 GLU HBx 1.0 . 4.13 249 137 A 14 GLU H A 14 GLU HGx 1.0 . 3.98 250 137 A 14 GLU HGy A 14 GLU H 1.0 . 3.98 251 138 A 54 CYS HBx A 15 VAL HGy% 1.0 . 4.67 252 139 A 54 CYS HBy A 15 VAL HGy% 1.0 . 4.87 253 140 A 54 CYS HBy A 15 VAL HGx% 1.0 . 4.87 254 141 A 16 SER HBy A 15 VAL HGx% 1.0 . 5.33 255 141 A 15 VAL HGx% A 16 SER HBx 1.0 . 5.33 256 142 A 16 SER HBy A 15 VAL HGy% 1.0 . 5.33 257 142 A 15 VAL HGy% A 16 SER HBx 1.0 . 5.33 258 143 A 54 CYS HBy A 15 VAL HB 1.0 . 5.50 259 144 A 15 VAL HA A 16 SER HBx 1.0 . 4.90 260 144 A 15 VAL HA A 16 SER HBy 1.0 . 4.90 261 145 A 15 VAL HA A 54 CYS HBy 1.0 . 4.59 262 146 A 15 VAL HA A 16 SER H 1.0 . 3.09 263 147 A 55 VAL HA A 15 VAL HB 1.0 . 4.49 264 148 A 15 VAL HB A 56 SER H 1.0 . 4.74 265 149 A 15 VAL HA A 55 VAL HA 1.0 . 5.25 266 150 A 56 SER HA A 15 VAL HGx% 1.0 . 4.54 267 151 A 55 VAL HA A 15 VAL HGx% 1.0 . 5.50 268 152 A 55 VAL HA A 15 VAL HGy% 1.0 . 5.50 269 153 A 56 SER H A 15 VAL HGy% 1.0 . 5.09 270 154 A 56 SER H A 15 VAL HGx% 1.0 . 5.09 271 155 A 16 SER H A 15 VAL HGx% 1.0 . 5.35 272 156 A 19 ILE HA A 20 SER H 1.0 . 2.97 273 157 A 19 ILE HG2% A 20 SER H 1.0 . 3.85 274 158 A 19 ILE HD1% A 20 SER H 1.0 . 5.15 275 159 A 20 SER HBy A 22 ARG HBx 1.0 . 5.23 276 159 A 22 ARG HBy A 20 SER HBy 1.0 . 5.23 277 160 A 20 SER HBy A 23 LEU HBx 1.0 . 5.21 278 160 A 23 LEU HBy A 20 SER HBy 1.0 . 5.21 279 161 A 20 SER HBx A 22 ARG HBx 1.0 . 5.31 280 161 A 22 ARG HBy A 20 SER HBx 1.0 . 5.31 281 162 A 20 SER HBx A 23 LEU HBx 1.0 . 4.80 282 162 A 23 LEU HBy A 20 SER HBx 1.0 . 4.80 283 163 A 20 SER HBy A 23 LEU H 1.0 . 4.33 284 164 A 20 SER H A 20 SER HBy 1.0 . 3.82 285 165 A 20 SER HBy A 22 ARG H 1.0 . 4.39 286 166 A 20 SER HBx A 23 LEU H 1.0 . 4.09 287 167 A 21 ARG HA A 61 THR HG2% 1.0 . 4.55 288 168 A 21 ARG HA A 24 LEU H 1.0 . 4.12 289 169 A 64 GLN H A 21 ARG HGx 1.0 . 5.39 290 169 A 21 ARG HGy A 64 GLN H 1.0 . 5.39 291 170 A 22 ARG HA A 25 GLU HGy 1.0 . 5.40 292 171 A 22 ARG HA A 25 GLU H 1.0 . 4.06 293 172 A 23 LEU H A 22 ARG HBx 1.0 . 3.40 294 172 A 22 ARG HBy A 23 LEU H 1.0 . 3.40 295 173 A 22 ARG H A 22 ARG HDx 1.0 . 5.50 296 173 A 22 ARG HDy A 22 ARG H 1.0 . 5.50 297 174 A 23 LEU HA A 22 ARG HBx 1.0 . 4.68 298 174 A 22 ARG HBy A 23 LEU HA 1.0 . 4.68 299 175 A 23 LEU HA A 26 ARG HDx 1.0 . 5.11 300 175 A 23 LEU HA A 26 ARG HDy 1.0 . 5.11 301 176 A 24 LEU HA A 23 LEU HDx% 1.0 . 5.13 302 177 A 24 LEU HA A 23 LEU HDy% 1.0 . 5.13 303 178 A 24 LEU HDy% A 23 LEU HDx% 1.0 . 4.69 304 179 A 24 LEU HDy% A 23 LEU HG 1.0 . 5.50 305 180 A 24 LEU HDy% A 23 LEU HBx 1.0 . 5.50 306 180 A 23 LEU HBy A 24 LEU HDy% 1.0 . 5.50 307 181 A 24 LEU HDy% A 23 LEU HDy% 1.0 . 4.69 308 182 A 23 LEU HA A 25 GLU H 1.0 . 5.50 309 183 A 24 LEU H A 23 LEU HBx 1.0 . 3.70 310 183 A 23 LEU HBy A 24 LEU H 1.0 . 3.70 311 184 A 23 LEU H A 23 LEU HBx 1.0 . 2.95 312 184 A 23 LEU HBy A 23 LEU H 1.0 . 2.95 313 185 A 20 SER H A 23 LEU HBx 1.0 . 5.50 314 185 A 23 LEU HBy A 20 SER H 1.0 . 5.50 315 186 A 23 LEU HG A 24 LEU H 1.0 . 5.50 316 187 A 23 LEU HG A 23 LEU H 1.0 . 5.08 317 188 A 23 LEU H A 23 LEU HDy% 1.0 . 5.50 318 189 A 19 ILE HG2% A 24 LEU HG 1.0 . 4.82 319 190 A 19 ILE HG2% A 24 LEU HDx% 1.0 . 4.26 320 191 A 19 ILE HG2% A 24 LEU HDy% 1.0 . 3.84 321 192 A 24 LEU HDy% A 46 LEU HDy% 1.0 . 4.48 322 193 A 24 LEU HA A 27 VAL HB 1.0 . 5.50 323 194 A 24 LEU HDx% A 62 VAL HB 1.0 . 5.50 324 195 A 24 LEU HDy% A 27 VAL HB 1.0 . 5.50 325 196 A 24 LEU HA A 26 ARG H 1.0 . 4.45 326 197 A 24 LEU HBy A 23 LEU H 1.0 . 5.50 327 198 A 21 ARG HA A 24 LEU HBx 1.0 . 5.50 328 199 A 24 LEU HBx A 65 TRP HD1 1.0 . 5.50 329 200 A 24 LEU HBx A 25 GLU H 1.0 . 4.48 330 201 A 24 LEU HG A 65 TRP HBx 1.0 . 5.50 331 202 A 21 ARG HA A 24 LEU HG 1.0 . 5.11 332 203 A 23 LEU H A 24 LEU HG 1.0 . 4.68 333 204 A 24 LEU HDx% A 21 ARG HDx 1.0 . 4.22 334 204 A 21 ARG HDy A 24 LEU HDx% 1.0 . 4.22 335 205 A 21 ARG HA A 24 LEU HDx% 1.0 . 3.90 336 206 A 24 LEU HDx% A 61 THR HB 1.0 . 5.30 337 207 A 24 LEU HDx% A 24 LEU H 1.0 . 4.23 338 208 A 24 LEU HBy A 24 LEU H 1.0 . 3.51 339 209 A 24 LEU HBx A 24 LEU H 1.0 . 3.88 340 210 A 24 LEU HDx% A 25 GLU H 1.0 . 5.50 341 211 A 24 LEU HDx% A 65 TRP HE3 1.0 . 4.54 342 212 A 24 LEU HDy% A 65 TRP HBx 1.0 . 5.28 343 213 A 21 ARG HA A 24 LEU HDy% 1.0 . 4.93 344 214 A 24 LEU HDy% A 24 LEU H 1.0 . 4.21 345 215 A 24 LEU HDy% A 65 TRP HD1 1.0 . 5.50 346 216 A 24 LEU HDy% A 65 TRP HE3 1.0 . 4.70 347 217 A 24 LEU HDy% A 65 TRP HH2 1.0 . 4.80 348 218 A 22 ARG HA A 25 GLU HGx 1.0 . 5.40 349 219 A 25 GLU HA A 27 VAL H 1.0 . 4.77 350 220 A 25 GLU HA A 65 TRP HE1 1.0 . 4.78 351 221 A 25 GLU H A 25 GLU HGy 1.0 . 3.82 352 222 A 26 ARG HBy A 48 VAL HGx% 1.0 . 5.09 353 223 A 26 ARG HA A 26 ARG HGx 1.0 . 4.20 354 224 A 26 ARG HBx A 26 ARG HGy 1.0 . 2.49 355 225 A 22 ARG HA A 26 ARG HGy 1.0 . 5.40 356 226 A 23 LEU HA A 26 ARG HGx 1.0 . 4.65 357 227 A 23 LEU HA A 26 ARG HBx 1.0 . 5.42 358 228 A 23 LEU HA A 26 ARG HBy 1.0 . 5.50 359 229 A 26 ARG H A 26 ARG HGy 1.0 . 5.28 360 230 A 26 ARG H A 26 ARG HGx 1.0 . 3.77 361 231 A 27 VAL HB A 26 ARG H 1.0 . 5.27 362 232 A 27 VAL HB A 28 ASN H 1.0 . 4.82 363 233 A 27 VAL HGy% A 27 VAL H 1.0 . 3.24 364 234 A 27 VAL HGy% A 26 ARG H 1.0 . 4.71 365 235 A 27 VAL HGy% A 28 ASN H 1.0 . 4.23 366 236 A 46 LEU HA A 27 VAL HGx% 1.0 . 5.15 367 237 A 27 VAL HGy% A 46 LEU HA 1.0 . 5.50 368 238 A 28 ASN H A 28 ASN HBx 1.0 . 3.93 369 238 A 28 ASN H A 28 ASN HBy 1.0 . 3.93 370 239 A 28 ASN HA A 28 ASN HD2y 1.0 . 4.51 371 240 A 29 MET H A 28 ASN HBx 1.0 . 4.26 372 240 A 28 ASN HBy A 29 MET H 1.0 . 4.26 373 241 A 29 MET HBy A 47 HIS HBx 1.0 . 4.95 374 241 A 29 MET HBy A 47 HIS HBy 1.0 . 4.95 375 242 A 29 MET HBx A 47 HIS HBx 1.0 . 4.53 376 242 A 47 HIS HBy A 29 MET HBx 1.0 . 4.53 377 243 A 29 MET HGx A 47 HIS HBx 1.0 . 5.08 378 243 A 29 MET HGy A 47 HIS HBx 1.0 . 5.08 379 243 A 47 HIS HBy A 29 MET HGx 1.0 . 5.08 380 243 A 47 HIS HBy A 29 MET HGy 1.0 . 5.08 381 244 A 29 MET HBy A 30 CYS H 1.0 . 5.47 382 245 A 29 MET HBx A 30 CYS H 1.0 . 5.14 383 246 A 30 CYS H A 29 MET HGx 1.0 . 4.60 384 246 A 29 MET HGy A 30 CYS H 1.0 . 4.60 385 247 A 31 ARG HA A 32 ILE H 1.0 . 3.34 386 248 A 32 ILE H A 31 ARG HBx 1.0 . 5.47 387 248 A 31 ARG HBy A 32 ILE H 1.0 . 5.47 388 249 A 32 ILE HD1% A 44 VAL HA 1.0 . 4.76 389 250 A 32 ILE HD1% A 57 PRO HGy 1.0 . 5.14 390 251 A 32 ILE HG2% A 57 PRO HGy 1.0 . 5.11 391 252 A 32 ILE HA A 33 GLN H 1.0 . 3.16 392 253 A 32 ILE H A 32 ILE HG1y 1.0 . 4.17 393 254 A 32 ILE H A 32 ILE HG1x 1.0 . 4.17 394 255 A 32 ILE HD1% A 32 ILE H 1.0 . 5.25 395 256 A 32 ILE HD1% A 33 GLN H 1.0 . 5.26 396 257 A 32 ILE HD1% A 45 ILE H 1.0 . 5.50 397 258 A 39 CYS HBx A 33 GLN HGy 1.0 . 5.33 398 259 A 39 CYS HBx A 33 GLN HGx 1.0 . 5.33 399 260 A 43 ALA HB% A 33 GLN HGy 1.0 . 5.50 400 261 A 43 ALA HB% A 33 GLN HGx 1.0 . 5.50 401 262 A 33 GLN HE2y A 33 GLN HBx 1.0 . 5.15 402 262 A 33 GLN HBy A 33 GLN HE2y 1.0 . 5.15 403 263 A 73 LYS H A 72 LYS HBx 1.0 . 4.00 404 263 A 72 LYS HBy A 73 LYS H 1.0 . 4.00 405 264 A 26 ARG HGx A 26 ARG HDx 1.0 . 3.01 406 264 A 26 ARG HDy A 26 ARG HGx 1.0 . 3.01 407 265 A 37 GLY H A 34 ARG HGy 1.0 . 5.50 408 266 A 38 ASP H A 34 ARG HGy 1.0 . 5.50 409 267 A 37 GLY H A 34 ARG HGx 1.0 . 5.50 410 268 A 38 ASP H A 34 ARG HGx 1.0 . 5.50 411 269 A 41 LEU HA A 35 ALA HB% 1.0 . 4.35 412 270 A 35 ALA HB% A 35 ALA H 1.0 . 3.23 413 271 A 39 CYS H A 38 ASP HBx 1.0 . 3.70 414 271 A 38 ASP HBy A 39 CYS H 1.0 . 3.70 415 272 A 38 ASP H A 38 ASP HBx 1.0 . 3.66 416 272 A 38 ASP H A 38 ASP HBy 1.0 . 3.66 417 273 A 39 CYS HBy A 33 GLN HGy 1.0 . 5.50 418 274 A 39 CYS HBy A 33 GLN HGx 1.0 . 5.50 419 275 A 39 CYS HBy A 41 LEU HBx 1.0 . 5.50 420 275 A 41 LEU HBy A 39 CYS HBy 1.0 . 5.50 421 276 A 39 CYS HBy A 38 ASP HBx 1.0 . 5.09 422 276 A 38 ASP HBy A 39 CYS HBy 1.0 . 5.09 423 277 A 39 CYS HBx A 38 ASP HBx 1.0 . 4.57 424 277 A 39 CYS HBx A 38 ASP HBy 1.0 . 4.57 425 278 A 39 CYS HBy A 33 GLN HE2x 1.0 . 4.75 426 279 A 33 GLN HE2y A 39 CYS HBy 1.0 . 4.75 427 280 A 39 CYS HBx A 39 CYS H 1.0 . 3.82 428 281 A 39 CYS HBx A 40 ASP H 1.0 . 4.24 429 282 A 39 CYS HBx A 33 GLN HE2y 1.0 . 4.32 430 283 A 40 ASP H A 40 ASP HBx 1.0 . 3.51 431 283 A 40 ASP H A 40 ASP HBy 1.0 . 3.51 432 284 A 40 ASP HBy A 41 LEU HBx 1.0 . 4.91 433 284 A 41 LEU HBy A 40 ASP HBx 1.0 . 4.91 434 284 A 41 LEU HBy A 40 ASP HBy 1.0 . 4.91 435 284 A 40 ASP HBx A 41 LEU HBx 1.0 . 4.91 436 285 A 35 ALA HB% A 40 ASP HBx 1.0 . 5.50 437 285 A 35 ALA HB% A 40 ASP HBy 1.0 . 5.50 438 286 A 13 THR HA A 41 LEU HDy% 1.0 . 4.66 439 287 A 13 THR HA A 41 LEU HDx% 1.0 . 4.66 440 288 A 35 ALA HB% A 41 LEU HBx 1.0 . 4.92 441 288 A 41 LEU HBy A 35 ALA HB% 1.0 . 4.92 442 289 A 42 ALA H A 41 LEU HBx 1.0 . 4.88 443 289 A 41 LEU HBy A 42 ALA H 1.0 . 4.88 444 290 A 33 GLN HE2y A 41 LEU HBx 1.0 . 4.52 445 290 A 41 LEU HBy A 33 GLN HE2y 1.0 . 4.52 446 291 A 41 LEU HG A 41 LEU H 1.0 . 5.30 447 292 A 41 LEU HG A 42 ALA H 1.0 . 5.42 448 293 A 42 ALA HB% A 43 ALA H 1.0 . 3.67 449 294 A 8 ALA H A 8 ALA HB% 1.0 . 3.30 450 295 A 43 ALA HA A 57 PRO HDx 1.0 . 4.48 451 295 A 43 ALA HA A 57 PRO HDy 1.0 . 4.48 452 296 A 43 ALA HB% A 57 PRO HDx 1.0 . 4.96 453 296 A 43 ALA HB% A 57 PRO HDy 1.0 . 4.96 454 297 A 43 ALA HB% A 12 CYS HBx 1.0 . 4.14 455 298 A 43 ALA HB% A 33 GLN HBx 1.0 . 4.11 456 298 A 43 ALA HB% A 33 GLN HBy 1.0 . 4.11 457 299 A 15 VAL HB A 43 ALA HB% 1.0 . 5.50 458 300 A 15 VAL HA A 43 ALA HB% 1.0 . 5.21 459 301 A 43 ALA HB% A 33 GLN HE2x 1.0 . 4.66 460 302 A 43 ALA HB% A 43 ALA H 1.0 . 3.70 461 303 A 43 ALA HB% A 55 VAL H 1.0 . 4.08 462 304 A 43 ALA HB% A 44 VAL H 1.0 . 3.33 463 305 A 44 VAL HA A 33 GLN H 1.0 . 4.30 464 306 A 44 VAL HA A 45 ILE H 1.0 . 3.26 465 307 A 44 VAL H A 44 VAL HB 1.0 . 3.42 466 308 A 44 VAL H A 44 VAL HGx% 1.0 . 4.88 467 309 A 44 VAL H A 44 VAL HGy% 1.0 . 4.88 468 310 A 45 ILE HG2% A 45 ILE HG1y 1.0 . 3.86 469 311 A 44 VAL HA A 45 ILE HB 1.0 . 5.50 470 312 A 45 ILE HG2% A 46 LEU H 1.0 . 3.63 471 313 A 33 GLN H A 45 ILE HG1y 1.0 . 5.08 472 314 A 45 ILE H A 45 ILE HG1y 1.0 . 4.22 473 315 A 45 ILE HD1% A 33 GLN H 1.0 . 5.15 474 316 A 45 ILE HD1% A 45 ILE H 1.0 . 4.84 475 317 A 45 ILE HD1% A 12 CYS H 1.0 . 4.70 476 318 A 44 VAL HA A 45 ILE HD1% 1.0 . 5.42 477 319 A 45 ILE HD1% A 12 CYS HBx 1.0 . 5.31 478 320 A 45 ILE HD1% A 33 GLN HBx 1.0 . 4.02 479 320 A 45 ILE HD1% A 33 GLN HBy 1.0 . 4.02 480 321 A 24 LEU HDy% A 46 LEU HDx% 1.0 . 4.48 481 322 A 24 LEU HDy% A 46 LEU HG 1.0 . 5.50 482 323 A 46 LEU HBy A 47 HIS H 1.0 . 4.45 483 324 A 46 LEU H A 46 LEU HBy 1.0 . 3.85 484 325 A 46 LEU H A 46 LEU HG 1.0 . 3.72 485 326 A 46 LEU H A 46 LEU HDx% 1.0 . 5.37 486 327 A 29 MET HBx A 47 HIS HA 1.0 . 5.31 487 328 A 52 ARG HA A 47 HIS HA 1.0 . 4.48 488 329 A 47 HIS HA A 48 VAL H 1.0 . 3.07 489 330 A 48 VAL H A 47 HIS HBx 1.0 . 4.09 490 330 A 47 HIS HBy A 48 VAL H 1.0 . 4.09 491 331 A 27 VAL HA A 48 VAL HA 1.0 . 4.68 492 332 A 48 VAL HA A 49 LYS HA 1.0 . 5.36 493 333 A 27 VAL HA A 48 VAL HB 1.0 . 5.16 494 334 A 27 VAL HA A 48 VAL HGx% 1.0 . 4.36 495 335 A 26 ARG HBy A 48 VAL HGy% 1.0 . 5.09 496 336 A 27 VAL HA A 48 VAL HGy% 1.0 . 4.36 497 337 A 48 VAL HA A 49 LYS H 1.0 . 3.29 498 338 A 48 VAL HB A 51 ARG H 1.0 . 5.44 499 339 A 48 VAL H A 48 VAL HB 1.0 . 3.60 500 340 A 26 ARG H A 48 VAL HGx% 1.0 . 5.50 501 341 A 28 ASN H A 48 VAL HGx% 1.0 . 4.52 502 342 A 48 VAL H A 48 VAL HGy% 1.0 . 4.05 503 343 A 26 ARG H A 48 VAL HGy% 1.0 . 5.50 504 344 A 21 ARG HA A 24 LEU HBy 1.0 . 4.68 505 345 A 49 LYS HBx A 50 ARG H 1.0 . 4.50 506 346 A 24 LEU HDx% A 21 ARG HGx 1.0 . 5.50 507 346 A 21 ARG HGy A 24 LEU HDx% 1.0 . 5.50 508 347 A 50 ARG HA A 50 ARG HGy 1.0 . 4.08 509 348 A 50 ARG HA A 50 ARG HGx 1.0 . 4.08 510 349 A 50 ARG H A 50 ARG HDx 1.0 . 5.50 511 349 A 50 ARG HDy A 50 ARG H 1.0 . 5.50 512 350 A 51 ARG HA A 52 ARG H 1.0 . 2.92 513 351 A 52 ARG HA A 52 ARG HDx 1.0 . 5.50 514 352 A 48 VAL H A 52 ARG HBx 1.0 . 4.82 515 352 A 48 VAL H A 52 ARG HBy 1.0 . 4.82 516 353 A 53 ILE H A 52 ARG HBx 1.0 . 5.25 517 353 A 52 ARG HBy A 53 ILE H 1.0 . 5.25 518 354 A 52 ARG H A 52 ARG HGy 1.0 . 5.50 519 355 A 53 ILE H A 52 ARG HGy 1.0 . 5.42 520 356 A 52 ARG H A 52 ARG HGx 1.0 . 4.36 521 357 A 53 ILE HG2% A 16 SER HBx 1.0 . 4.88 522 357 A 53 ILE HG2% A 16 SER HBy 1.0 . 4.88 523 358 A 24 LEU HDy% A 19 ILE HG1y 1.0 . 5.50 524 359 A 19 ILE HG2% A 19 ILE HG1x 1.0 . 3.83 525 360 A 24 LEU HDy% A 19 ILE HG1x 1.0 . 5.50 526 361 A 19 ILE HG2% A 19 ILE HG1y 1.0 . 3.83 527 362 A 19 ILE HG2% A 62 VAL HA 1.0 . 4.96 528 363 A 19 ILE HD1% A 16 SER HBx 1.0 . 5.26 529 363 A 19 ILE HD1% A 16 SER HBy 1.0 . 5.26 530 364 A 19 ILE HB A 20 SER H 1.0 . 3.81 531 365 A 19 ILE HG2% A 59 ASN HD2x 1.0 . 5.20 532 366 A 20 SER H A 19 ILE HG1x 1.0 . 4.24 533 367 A 53 ILE HA A 54 CYS H 1.0 . 3.04 534 368 A 53 ILE HG2% A 54 CYS H 1.0 . 3.43 535 369 A 53 ILE HG2% A 53 ILE H 1.0 . 5.15 536 370 A 53 ILE HD1% A 53 ILE H 1.0 . 5.39 537 371 A 43 ALA HB% A 54 CYS HA 1.0 . 5.05 538 372 A 45 ILE HG2% A 54 CYS HA 1.0 . 4.69 539 373 A 15 VAL HA A 54 CYS HA 1.0 . 5.22 540 374 A 54 CYS HBy A 43 ALA HB% 1.0 . 5.18 541 375 A 15 VAL HA A 54 CYS HBx 1.0 . 4.74 542 376 A 54 CYS HBx A 43 ALA HB% 1.0 . 4.69 543 377 A 54 CYS HBx A 15 VAL HGx% 1.0 . 4.67 544 378 A 54 CYS HBx A 54 CYS H 1.0 . 3.86 545 379 A 54 CYS HBx A 55 VAL H 1.0 . 4.53 546 380 A 16 SER HBx A 55 VAL HGx% 1.0 . 5.13 547 380 A 16 SER HBy A 55 VAL HGx% 1.0 . 5.13 548 381 A 55 VAL HGy% A 16 SER HBx 1.0 . 5.13 549 381 A 16 SER HBy A 55 VAL HGy% 1.0 . 5.13 550 382 A 19 ILE HB A 55 VAL HGx% 1.0 . 4.38 551 383 A 19 ILE HB A 55 VAL HGy% 1.0 . 4.38 552 384 A 19 ILE HB A 55 VAL HB 1.0 . 5.00 553 385 A 56 SER H A 55 VAL HB 1.0 . 4.47 554 386 A 55 VAL H A 55 VAL HGx% 1.0 . 4.67 555 387 A 54 CYS HA A 55 VAL HGx% 1.0 . 5.50 556 388 A 54 CYS HA A 55 VAL HGy% 1.0 . 5.50 557 389 A 56 SER H A 55 VAL HGy% 1.0 . 4.77 558 390 A 44 VAL H A 55 VAL HGy% 1.0 . 5.28 559 391 A 44 VAL H A 55 VAL HGx% 1.0 . 5.28 560 392 A 32 ILE HG2% A 57 PRO HDx 1.0 . 5.43 561 392 A 32 ILE HG2% A 57 PRO HDy 1.0 . 5.43 562 393 A 32 ILE HG2% A 57 PRO HBx 1.0 . 4.67 563 394 A 58 HIS H A 57 PRO HDx 1.0 . 3.88 564 394 A 57 PRO HDy A 58 HIS H 1.0 . 3.88 565 395 A 44 VAL H A 57 PRO HDx 1.0 . 4.20 566 395 A 57 PRO HDy A 44 VAL H 1.0 . 4.20 567 396 A 58 HIS H A 58 HIS HBx 1.0 . 3.48 568 397 A 58 HIS HA A 59 ASN H 1.0 . 3.53 569 398 A 60 HIS HA A 63 LYS HEx 1.0 . 5.11 570 398 A 63 LYS HEy A 60 HIS HA 1.0 . 5.11 571 399 A 60 HIS HA A 63 LYS HGx 1.0 . 4.40 572 399 A 60 HIS HA A 63 LYS HGy 1.0 . 4.40 573 400 A 61 THR HA A 64 GLN HBx 1.0 . 4.50 574 400 A 61 THR HA A 64 GLN HBy 1.0 . 4.50 575 401 A 19 ILE HG2% A 61 THR HB 1.0 . 4.65 576 402 A 61 THR HG2% A 21 ARG HDx 1.0 . 4.37 577 402 A 21 ARG HDy A 61 THR HG2% 1.0 . 4.37 578 403 A 61 THR HB A 62 VAL H 1.0 . 3.40 579 404 A 61 THR HG2% A 61 THR H 1.0 . 3.99 580 405 A 61 THR HG2% A 65 TRP H 1.0 . 5.50 581 406 A 61 THR HG2% A 62 VAL H 1.0 . 5.07 582 407 A 24 LEU HDx% A 62 VAL HA 1.0 . 4.44 583 408 A 24 LEU HDy% A 62 VAL HA 1.0 . 5.50 584 409 A 62 VAL HA A 65 TRP HBx 1.0 . 4.68 585 410 A 62 VAL HA A 65 TRP HBy 1.0 . 4.29 586 411 A 19 ILE HG2% A 62 VAL HB 1.0 . 4.82 587 412 A 62 VAL HA A 61 THR HB 1.0 . 5.50 588 413 A 62 VAL HB A 61 THR HB 1.0 . 4.62 589 414 A 62 VAL HB A 65 TRP HE3 1.0 . 5.50 590 415 A 62 VAL HB A 63 LYS H 1.0 . 3.59 591 416 A 62 VAL HB A 62 VAL H 1.0 . 3.28 592 417 A 62 VAL HGx% A 57 PRO HA 1.0 . 4.22 593 418 A 62 VAL HGx% A 65 TRP HZ3 1.0 . 4.08 594 419 A 62 VAL HGx% A 65 TRP HE3 1.0 . 3.77 595 420 A 64 GLN HE2y A 68 VAL HGy% 1.0 . 5.50 596 421 A 63 LYS HEy A 84 LYS HGx 1.0 . 5.09 597 421 A 63 LYS HEx A 84 LYS HGx 1.0 . 5.09 598 421 A 84 LYS HGy A 63 LYS HEx 1.0 . 5.09 599 421 A 63 LYS HEy A 84 LYS HGy 1.0 . 5.09 600 422 A 63 LYS HGy A 84 LYS HGx 1.0 . 3.34 601 422 A 63 LYS HGx A 84 LYS HGx 1.0 . 3.34 602 422 A 84 LYS HGy A 63 LYS HGx 1.0 . 3.34 603 422 A 84 LYS HGy A 63 LYS HGy 1.0 . 3.34 604 423 A 63 LYS HDy A 84 LYS HGx 1.0 . 3.10 605 423 A 63 LYS HDx A 84 LYS HGx 1.0 . 3.10 606 423 A 84 LYS HGy A 63 LYS HDx 1.0 . 3.10 607 423 A 63 LYS HDy A 84 LYS HGy 1.0 . 3.10 608 424 A 63 LYS HA A 84 LYS HGx 1.0 . 3.77 609 424 A 63 LYS HA A 84 LYS HGy 1.0 . 3.77 610 425 A 63 LYS HBy A 84 LYS HGx 1.0 . 4.26 611 425 A 63 LYS HBx A 84 LYS HGx 1.0 . 4.26 612 425 A 84 LYS HGy A 63 LYS HBx 1.0 . 4.26 613 425 A 63 LYS HBy A 84 LYS HGy 1.0 . 4.26 614 426 A 63 LYS HA A 66 MET H 1.0 . 4.14 615 427 A 63 LYS H A 63 LYS HGx 1.0 . 3.40 616 427 A 63 LYS HGy A 63 LYS H 1.0 . 3.40 617 428 A 64 GLN HA A 67 LYS HBx 1.0 . 3.99 618 428 A 67 LYS HBy A 64 GLN HA 1.0 . 3.99 619 429 A 64 GLN HA A 67 LYS H 1.0 . 4.82 620 430 A 64 GLN H A 64 GLN HGy 1.0 . 4.54 621 431 A 64 GLN H A 64 GLN HGx 1.0 . 4.54 622 432 A 24 LEU HDx% A 65 TRP HBy 1.0 . 5.07 623 433 A 24 LEU HDx% A 65 TRP HBx 1.0 . 4.79 624 434 A 21 ARG HA A 65 TRP HBx 1.0 . 4.97 625 435 A 65 TRP HA A 64 GLN HBx 1.0 . 4.37 626 435 A 64 GLN HBy A 65 TRP HA 1.0 . 4.37 627 436 A 65 TRP HD1 A 65 TRP HA 1.0 . 3.48 628 437 A 65 TRP HE3 A 65 TRP HBy 1.0 . 3.54 629 438 A 65 TRP HBy A 66 MET H 1.0 . 3.86 630 439 A 65 TRP HE3 A 65 TRP HA 1.0 . 5.02 631 440 A 65 TRP HBx A 65 TRP H 1.0 . 3.34 632 441 A 66 MET HA A 69 GLN HBx 1.0 . 4.63 633 442 A 63 LYS HA A 66 MET HBy 1.0 . 5.07 634 443 A 63 LYS HA A 66 MET HBx 1.0 . 5.28 635 444 A 63 LYS HA A 66 MET HGx 1.0 . 5.50 636 445 A 65 TRP HE3 A 66 MET HA 1.0 . 4.82 637 446 A 65 TRP HE3 A 66 MET HBy 1.0 . 4.59 638 447 A 66 MET H A 66 MET HBy 1.0 . 3.57 639 448 A 65 TRP HE3 A 66 MET HBx 1.0 . 4.95 640 449 A 66 MET H A 66 MET HBx 1.0 . 3.81 641 450 A 65 TRP HE3 A 66 MET HGy 1.0 . 3.94 642 451 A 66 MET H A 66 MET HGy 1.0 . 4.00 643 452 A 65 TRP HE3 A 66 MET HGx 1.0 . 3.94 644 453 A 66 MET H A 66 MET HGx 1.0 . 4.00 645 454 A 67 LYS H A 67 LYS HBx 1.0 . 3.10 646 454 A 67 LYS HBy A 67 LYS H 1.0 . 3.10 647 455 A 68 VAL H A 67 LYS HBx 1.0 . 3.77 648 455 A 67 LYS HBy A 68 VAL H 1.0 . 3.77 649 456 A 67 LYS H A 67 LYS HGy 1.0 . 4.29 650 457 A 65 TRP HA A 68 VAL HB 1.0 . 4.47 651 458 A 68 VAL H A 68 VAL HB 1.0 . 3.41 652 459 A 68 VAL H A 68 VAL HGx% 1.0 . 4.24 653 460 A 69 GLN H A 68 VAL HGx% 1.0 . 5.25 654 461 A 64 GLN HE2y A 68 VAL HGx% 1.0 . 5.50 655 462 A 69 GLN HA A 72 LYS HEx 1.0 . 5.50 656 462 A 72 LYS HEy A 69 GLN HA 1.0 . 5.50 657 463 A 79 VAL HGy% A 69 GLN HBy 1.0 . 4.94 658 464 A 66 MET HA A 69 GLN HGy 1.0 . 5.50 659 465 A 66 MET HA A 69 GLN HGx 1.0 . 5.50 660 466 A 66 MET HA A 69 GLN HBy 1.0 . 5.50 661 467 A 79 VAL HGy% A 69 GLN HGx 1.0 . 5.50 662 468 A 69 GLN HA A 71 ALA H 1.0 . 5.50 663 469 A 69 GLN HBy A 70 ALA H 1.0 . 4.46 664 470 A 69 GLN HBx A 70 ALA H 1.0 . 5.48 665 471 A 69 GLN H A 69 GLN HGy 1.0 . 4.97 666 472 A 65 TRP HH2 A 69 GLN HGx 1.0 . 5.50 667 473 A 79 VAL HGy% A 70 ALA HA 1.0 . 4.70 668 474 A 79 VAL HGy% A 70 ALA HB% 1.0 . 4.14 669 475 A 71 ALA H A 70 ALA HB% 1.0 . 4.38 670 476 A 70 ALA H A 70 ALA HB% 1.0 . 3.20 671 477 A 69 GLN H A 70 ALA HB% 1.0 . 5.50 672 478 A 70 ALA HB% A 71 ALA HA 1.0 . 5.50 673 479 A 68 VAL HA A 71 ALA HB% 1.0 . 4.39 674 480 A 70 ALA HA A 72 LYS HBx 1.0 . 5.01 675 480 A 72 LYS HBy A 70 ALA HA 1.0 . 5.01 676 481 A 69 GLN HA A 72 LYS HBx 1.0 . 5.45 677 481 A 72 LYS HBy A 69 GLN HA 1.0 . 5.45 678 482 A 69 GLN HA A 72 LYS HDx 1.0 . 4.85 679 482 A 72 LYS HDy A 69 GLN HA 1.0 . 4.85 680 483 A 70 ALA HA A 72 LYS HDx 1.0 . 5.50 681 483 A 72 LYS HDy A 70 ALA HA 1.0 . 5.50 682 484 A 72 LYS H A 72 LYS HBx 1.0 . 3.59 683 484 A 72 LYS HBy A 72 LYS H 1.0 . 3.59 684 485 A 71 ALA H A 72 LYS HDx 1.0 . 5.33 685 485 A 72 LYS HDy A 71 ALA H 1.0 . 5.33 686 486 A 77 GLY H A 72 LYS HGx 1.0 . 4.97 687 486 A 72 LYS HGy A 77 GLY H 1.0 . 4.97 688 487 A 72 LYS H A 72 LYS HGx 1.0 . 5.50 689 487 A 72 LYS HGy A 72 LYS H 1.0 . 5.50 690 488 A 66 MET H A 67 LYS HBx 1.0 . 5.50 691 488 A 67 LYS HBy A 66 MET H 1.0 . 5.50 692 489 A 77 GLY H A 76 LYS HGx 1.0 . 5.44 693 489 A 76 LYS HGy A 77 GLY H 1.0 . 5.44 694 490 A 77 GLY H A 78 ASN HBx 1.0 . 5.50 695 491 A 77 GLY H A 78 ASN HBy 1.0 . 5.50 696 492 A 79 VAL HA A 78 ASN HA 1.0 . 5.50 697 493 A 79 VAL HA A 78 ASN H 1.0 . 5.50 698 494 A 79 VAL HGy% A 65 TRP HH2 1.0 . 5.50 699 495 A 79 VAL HGy% A 65 TRP HZ2 1.0 . 5.50 700 496 A 79 VAL HGy% A 78 ASN H 1.0 . 5.14 701 497 A 79 VAL HGy% A 79 VAL H 1.0 . 4.96 702 498 A 79 VAL HGy% A 77 GLY H 1.0 . 5.50 703 499 A 79 VAL HGx% A 65 TRP HH2 1.0 . 5.50 704 500 A 79 VAL HGx% A 65 TRP HZ2 1.0 . 5.50 705 501 A 79 VAL HGx% A 78 ASN H 1.0 . 5.46 706 502 A 79 VAL HGx% A 77 GLY H 1.0 . 5.39 707 503 A 81 HIS HD2 A 81 HIS HBx 1.0 . 3.59 708 504 A 67 LYS H A 67 LYS HGx 1.0 . 4.29 709 505 A 92 ASN H A 91 SER HBx 1.0 . 5.44 710 505 A 91 SER HBy A 92 ASN H 1.0 . 5.44 711 506 A 46 LEU HA A 30 CYS HA 1.0 . 5.00 712 507 A 30 CYS HA A 31 ARG HBx 1.0 . 5.50 713 507 A 31 ARG HBy A 30 CYS HA 1.0 . 5.50 714 508 A 27 VAL HGx% A 30 CYS HA 1.0 . 5.50 715 509 A 47 HIS H A 30 CYS HA 1.0 . 4.48 716 510 A 44 VAL H A 55 VAL HB 1.0 . 5.46 717 511 A 30 CYS HBy A 80 CYS HA 1.0 . 5.50 718 512 A 65 TRP HH2 A 30 CYS HBy 1.0 . 5.50 719 513 A 27 VAL HGx% A 30 CYS HBx 1.0 . 5.50 720 514 A 33 GLN H A 33 GLN HGx 1.0 . 5.00 721 515 A 65 TRP HBy A 64 GLN HBx 1.0 . 5.50 722 515 A 64 GLN HBy A 65 TRP HBy 1.0 . 5.50 723 516 A 62 VAL HGx% A 65 TRP HBy 1.0 . 5.50 724 517 A 62 VAL HGx% A 66 MET HA 1.0 . 5.50 725 518 A 79 VAL HGy% A 66 MET HA 1.0 . 5.38 726 519 A 66 MET HA A 69 GLN H 1.0 . 4.55 727 520 A 63 LYS HA A 66 MET HGy 1.0 . 5.50 728 521 A 65 TRP HZ3 A 66 MET HGx 1.0 . 4.58 729 522 A 54 CYS HBy A 16 SER H 1.0 . 4.66 730 523 A 27 VAL HB A 65 TRP HH2 1.0 . 4.32 731 524 A 27 VAL HGy% A 65 TRP HH2 1.0 . 5.50 732 525 A 47 HIS HA A 47 HIS HE1 1.0 . 5.50 733 526 A 32 ILE HB A 32 ILE H 1.0 . 3.28 734 527 A 62 VAL HB A 59 ASN HBy 1.0 . 5.17 735 528 A 62 VAL HGy% A 59 ASN HBy 1.0 . 5.25 736 529 A 62 VAL HB A 59 ASN HBx 1.0 . 5.17 737 530 A 62 VAL HGy% A 59 ASN HBx 1.0 . 5.25 738 531 A 56 SER HBx A 59 ASN HBx 1.0 . 5.50 739 532 A 59 ASN HBy A 56 SER HBx 1.0 . 5.50 740 533 A 62 VAL H A 59 ASN HBy 1.0 . 5.50 741 534 A 62 VAL H A 59 ASN HBx 1.0 . 5.50 742 535 A 80 CYS HBx A 32 ILE HG1y 1.0 . 5.50 743 536 A 80 CYS HBx A 32 ILE HG1x 1.0 . 5.50 744 537 A 24 LEU HDy% A 65 TRP HE1 1.0 . 5.26 745 538 A 29 MET HBx A 47 HIS H 1.0 . 5.50 746 539 A 29 MET HBx A 47 HIS HD2 1.0 . 5.50 747 540 A 32 ILE HB A 33 GLN H 1.0 . 5.50 748 541 A 41 LEU H A 35 ALA HA 1.0 . 4.43 749 542 A 39 CYS HBx A 11 CYS HA 1.0 . 5.50 750 543 A 39 CYS HBy A 11 CYS HA 1.0 . 5.50 751 544 A 49 LYS H A 49 LYS HDx 1.0 . 4.59 752 544 A 49 LYS HDy A 49 LYS H 1.0 . 4.59 753 545 A 53 ILE HG2% A 55 VAL H 1.0 . 5.50 754 546 A 12 CYS H A 11 CYS HBy 1.0 . 5.43 755 547 A 12 CYS H A 11 CYS HBx 1.0 . 5.43 756 548 A 13 THR HG2% A 11 CYS HBy 1.0 . 5.50 757 549 A 13 THR HG2% A 11 CYS HBx 1.0 . 5.50 758 550 A 58 HIS HBx A 56 SER HBx 1.0 . 5.50 759 551 A 56 SER H A 56 SER HBx 1.0 . 3.41 760 552 A 58 HIS HBx A 59 ASN H 1.0 . 5.50 761 553 A 32 ILE HD1% A 80 CYS HBx 1.0 . 4.73 762 554 A 80 CYS HBy A 32 ILE HG1y 1.0 . 5.50 763 555 A 32 ILE HD1% A 80 CYS HBy 1.0 . 4.50 764 556 A 80 CYS HBy A 32 ILE HG1x 1.0 . 5.50 765 557 A 83 LYS H A 81 HIS HBy 1.0 . 5.50 766 558 A 83 LYS H A 81 HIS HBx 1.0 . 5.50 767 559 A 7 ILE H A 3 ALA HA 1.0 . 3.73 768 560 A 54 CYS HBy A 12 CYS HBy 1.0 . 4.72 769 561 A 56 SER HA A 15 VAL HGy% 1.0 . 4.54 770 562 A 73 LYS HEy A 73 LYS HBy 1.0 . 5.11 771 562 A 73 LYS HBy A 73 LYS HEx 1.0 . 5.11 772 563 A 84 LYS HDy A 84 LYS HGx 1.0 . 2.40 773 563 A 84 LYS HDx A 84 LYS HGx 1.0 . 2.40 774 563 A 84 LYS HGy A 84 LYS HDx 1.0 . 2.40 775 563 A 84 LYS HGy A 84 LYS HDy 1.0 . 2.40 776 564 A 83 LYS HEy A 83 LYS HGx 1.0 . 3.83 777 564 A 83 LYS HEx A 83 LYS HGx 1.0 . 3.83 778 564 A 83 LYS HGy A 83 LYS HEx 1.0 . 3.83 779 564 A 83 LYS HEy A 83 LYS HGy 1.0 . 3.83 780 565 A 65 TRP HBx A 64 GLN HBx 1.0 . 5.50 781 565 A 65 TRP HBx A 64 GLN HBy 1.0 . 5.50 782 566 A 56 SER HBy A 59 ASN HBy 1.0 . 5.50 783 567 A 56 SER HBy A 59 ASN HBx 1.0 . 5.50 784 568 A 84 LYS HEy A 84 LYS HGx 1.0 . 3.83 785 568 A 84 LYS HEx A 84 LYS HGx 1.0 . 3.83 786 568 A 84 LYS HGy A 84 LYS HEx 1.0 . 3.83 787 568 A 84 LYS HGy A 84 LYS HEy 1.0 . 3.83 788 569 A 84 LYS HA A 84 LYS HGx 1.0 . 4.08 789 569 A 84 LYS HGy A 84 LYS HA 1.0 . 4.08 790 570 A 83 LYS HA A 83 LYS HGx 1.0 . 4.08 791 570 A 83 LYS HGy A 83 LYS HA 1.0 . 4.08 792 571 A 27 VAL HA A 26 ARG H 1.0 . 5.11 793 572 A 32 ILE HA A 44 VAL HA 1.0 . 4.42 794 573 A 34 ARG HA A 42 ALA HA 1.0 . 5.25 795 574 A 37 GLY H A 36 ASP HBx 1.0 . 4.19 796 575 A 36 ASP HBx A 34 ARG HBy 1.0 . 5.50 797 576 A 34 ARG HBy A 36 ASP HBy 1.0 . 5.50 798 577 A 15 VAL HB A 16 SER HBx 1.0 . 5.50 799 577 A 16 SER HBy A 15 VAL HB 1.0 . 5.50 800 578 A 15 VAL HA A 15 VAL HGy% 1.0 . 3.98 801 579 A 58 HIS HBx A 56 SER HBy 1.0 . 5.50 802 580 A 23 LEU HA A 26 ARG H 1.0 . 4.05 803 581 A 26 ARG H A 27 VAL H 1.0 . 3.17 804 582 A 27 VAL H A 28 ASN H 1.0 . 4.87 805 583 A 54 CYS HBy A 54 CYS H 1.0 . 3.52 806 584 A 3 ALA H A 2 GLU HA 1.0 . 3.20 807 585 A 41 LEU HA A 42 ALA H 1.0 . 3.00 808 586 A 42 ALA H A 41 LEU H 1.0 . 4.74 809 587 A 14 GLU HA A 15 VAL H 1.0 . 3.06 810 588 A 3 ALA H A 2 GLU HBy 1.0 . 5.19 811 589 A 3 ALA H A 3 ALA HB% 1.0 . 3.55 812 590 A 3 ALA H A 2 GLU HGx 1.0 . 5.32 813 590 A 3 ALA H A 2 GLU HGy 1.0 . 5.32 814 591 A 4 ILE HB A 5 LEU H 1.0 . 4.19 815 592 A 4 ILE HG2% A 5 LEU H 1.0 . 3.72 816 593 A 7 ILE H A 7 ILE HG1y 1.0 . 3.50 817 594 A 7 ILE H A 7 ILE HG1x 1.0 . 3.50 818 595 A 7 ILE HG2% A 8 ALA H 1.0 . 4.52 819 596 A 33 GLN HE2y A 12 CYS H 1.0 . 4.50 820 597 A 11 CYS H A 12 CYS H 1.0 . 5.07 821 598 A 12 CYS H A 11 CYS HA 1.0 . 3.42 822 599 A 15 VAL H A 14 GLU H 1.0 . 4.68 823 600 A 14 GLU H A 13 THR H 1.0 . 4.20 824 601 A 14 GLU H A 12 CYS HA 1.0 . 4.48 825 602 A 15 VAL H A 16 SER H 1.0 . 4.63 826 603 A 55 VAL HA A 16 SER H 1.0 . 4.08 827 604 A 16 SER H A 16 SER HBx 1.0 . 3.49 828 604 A 16 SER HBy A 16 SER H 1.0 . 3.49 829 605 A 18 HIS HA A 19 ILE H 1.0 . 3.51 830 606 A 20 SER H A 20 SER HBx 1.0 . 3.55 831 607 A 71 ALA H A 70 ALA H 1.0 . 3.66 832 608 A 20 SER HBy A 21 ARG H 1.0 . 5.50 833 609 A 21 ARG H A 21 ARG HGx 1.0 . 5.50 834 609 A 21 ARG HGy A 21 ARG H 1.0 . 5.50 835 610 A 39 CYS HBx A 12 CYS H 1.0 . 4.03 836 611 A 12 CYS HBx A 12 CYS H 1.0 . 3.78 837 612 A 12 CYS H A 41 LEU HBx 1.0 . 5.50 838 612 A 41 LEU HBy A 12 CYS H 1.0 . 5.50 839 613 A 45 ILE HG2% A 12 CYS H 1.0 . 5.50 840 614 A 12 CYS H A 33 GLN HGy 1.0 . 5.50 841 615 A 12 CYS H A 33 GLN HGx 1.0 . 5.50 842 616 A 39 CYS HBy A 12 CYS H 1.0 . 5.50 843 617 A 14 GLU H A 12 CYS HBy 1.0 . 4.28 844 618 A 13 THR HG2% A 14 GLU H 1.0 . 4.76 845 619 A 43 ALA HB% A 12 CYS H 1.0 . 4.87 846 620 A 14 GLU H A 14 GLU HBy 1.0 . 4.12 847 621 A 14 GLU H A 54 CYS HBy 1.0 . 5.50 848 622 A 15 VAL H A 14 GLU HGx 1.0 . 4.31 849 622 A 14 GLU HGy A 15 VAL H 1.0 . 4.31 850 623 A 15 VAL H A 15 VAL HB 1.0 . 4.15 851 624 A 19 ILE H A 19 ILE HG1y 1.0 . 4.87 852 625 A 19 ILE H A 19 ILE HG1x 1.0 . 4.87 853 626 A 19 ILE HG2% A 19 ILE H 1.0 . 3.74 854 627 A 20 SER H A 19 ILE HG1y 1.0 . 4.24 855 628 A 54 CYS HBx A 16 SER H 1.0 . 4.96 856 629 A 15 VAL HB A 16 SER H 1.0 . 3.76 857 630 A 16 SER H A 15 VAL HGy% 1.0 . 5.35 858 631 A 68 VAL HB A 70 ALA H 1.0 . 5.40 859 632 A 79 VAL HGy% A 70 ALA H 1.0 . 4.45 860 633 A 20 SER HBx A 22 ARG H 1.0 . 4.47 861 634 A 20 SER H A 23 LEU H 1.0 . 4.58 862 635 A 23 LEU H A 22 ARG H 1.0 . 3.65 863 636 A 23 LEU H A 24 LEU H 1.0 . 3.28 864 637 A 23 LEU H A 20 SER HA 1.0 . 5.50 865 638 A 24 LEU H A 26 ARG H 1.0 . 4.57 866 639 A 22 ARG H A 24 LEU H 1.0 . 5.26 867 640 A 25 GLU H A 26 ARG H 1.0 . 3.43 868 641 A 23 LEU H A 25 GLU H 1.0 . 4.36 869 642 A 24 LEU H A 25 GLU H 1.0 . 3.56 870 643 A 21 ARG HA A 25 GLU H 1.0 . 5.14 871 644 A 22 ARG H A 25 GLU H 1.0 . 5.50 872 645 A 28 ASN H A 29 MET H 1.0 . 3.34 873 646 A 28 ASN H A 47 HIS H 1.0 . 4.92 874 647 A 29 MET H A 47 HIS H 1.0 . 4.12 875 648 A 48 VAL HA A 29 MET H 1.0 . 5.33 876 649 A 27 VAL HA A 29 MET H 1.0 . 4.27 877 650 A 48 VAL HA A 28 ASN H 1.0 . 4.19 878 651 A 27 VAL HA A 28 ASN H 1.0 . 3.16 879 652 A 27 VAL H A 65 TRP HZ2 1.0 . 4.30 880 653 A 25 GLU H A 27 VAL H 1.0 . 4.58 881 654 A 33 GLN H A 43 ALA H 1.0 . 4.12 882 655 A 32 ILE H A 33 GLN H 1.0 . 5.00 883 656 A 22 ARG H A 21 ARG HBx 1.0 . 3.98 884 656 A 21 ARG HBy A 22 ARG H 1.0 . 3.98 885 657 A 22 ARG H A 22 ARG HBx 1.0 . 3.40 886 657 A 22 ARG HBy A 22 ARG H 1.0 . 3.40 887 658 A 22 ARG H A 22 ARG HGx 1.0 . 4.11 888 658 A 22 ARG HGy A 22 ARG H 1.0 . 4.11 889 659 A 23 LEU H A 23 LEU HDx% 1.0 . 5.50 890 660 A 19 ILE HD1% A 23 LEU H 1.0 . 4.97 891 661 A 24 LEU H A 21 ARG HBx 1.0 . 5.32 892 661 A 21 ARG HBy A 24 LEU H 1.0 . 5.32 893 662 A 24 LEU H A 24 LEU HG 1.0 . 3.35 894 663 A 19 ILE HD1% A 24 LEU H 1.0 . 4.63 895 664 A 25 GLU H A 26 ARG HGy 1.0 . 4.52 896 665 A 24 LEU HBy A 25 GLU H 1.0 . 4.12 897 666 A 25 GLU H A 24 LEU HG 1.0 . 5.00 898 667 A 24 LEU HDy% A 25 GLU H 1.0 . 5.33 899 668 A 26 ARG H A 26 ARG HDx 1.0 . 4.68 900 668 A 26 ARG HDy A 26 ARG H 1.0 . 4.68 901 669 A 26 ARG H A 25 GLU HGy 1.0 . 5.10 902 670 A 26 ARG H A 25 GLU HGx 1.0 . 5.10 903 671 A 26 ARG HBx A 26 ARG H 1.0 . 3.25 904 672 A 25 GLU H A 25 GLU HGx 1.0 . 3.82 905 673 A 24 LEU HDy% A 26 ARG H 1.0 . 5.50 906 674 A 24 LEU HBx A 26 ARG H 1.0 . 5.50 907 675 A 24 LEU HA A 27 VAL H 1.0 . 4.44 908 676 A 27 VAL HB A 27 VAL H 1.0 . 3.18 909 677 A 26 ARG HBx A 27 VAL H 1.0 . 4.47 910 678 A 27 VAL H A 27 VAL HGx% 1.0 . 3.97 911 679 A 24 LEU HDy% A 27 VAL H 1.0 . 5.38 912 680 A 28 ASN H A 47 HIS HBx 1.0 . 4.94 913 680 A 28 ASN H A 47 HIS HBy 1.0 . 4.94 914 681 A 28 ASN H A 27 VAL HGx% 1.0 . 3.88 915 682 A 28 ASN H A 48 VAL HGy% 1.0 . 4.52 916 683 A 29 MET H A 47 HIS HBx 1.0 . 3.96 917 683 A 29 MET H A 47 HIS HBy 1.0 . 3.96 918 684 A 29 MET H A 29 MET HGx 1.0 . 4.57 919 684 A 29 MET H A 29 MET HGy 1.0 . 4.57 920 685 A 27 VAL HGx% A 29 MET H 1.0 . 3.45 921 686 A 27 VAL HGy% A 29 MET H 1.0 . 4.73 922 687 A 32 ILE H A 80 CYS HBx 1.0 . 4.93 923 688 A 32 ILE HG2% A 32 ILE H 1.0 . 4.13 924 689 A 33 GLN H A 33 GLN HGy 1.0 . 5.00 925 690 A 33 GLN H A 33 GLN HBx 1.0 . 3.50 926 690 A 33 GLN H A 33 GLN HBy 1.0 . 3.50 927 691 A 33 GLN H A 45 ILE HG1x 1.0 . 5.08 928 692 A 32 ILE HG2% A 33 GLN H 1.0 . 3.64 929 693 A 33 GLN H A 34 ARG H 1.0 . 5.23 930 694 A 34 ARG H A 33 GLN HA 1.0 . 3.51 931 695 A 35 ALA H A 34 ARG H 1.0 . 4.60 932 696 A 35 ALA H A 43 ALA H 1.0 . 5.50 933 697 A 36 ASP H A 39 CYS HA 1.0 . 5.50 934 698 A 35 ALA HA A 36 ASP H 1.0 . 3.17 935 699 A 37 GLY H A 36 ASP H 1.0 . 3.91 936 700 A 37 GLY H A 35 ALA HA 1.0 . 5.33 937 701 A 38 ASP H A 34 ARG H 1.0 . 5.50 938 702 A 37 GLY H A 38 ASP H 1.0 . 4.27 939 703 A 39 CYS H A 36 ASP H 1.0 . 4.13 940 704 A 37 GLY H A 39 CYS H 1.0 . 4.10 941 705 A 39 CYS H A 35 ALA HA 1.0 . 5.11 942 706 A 40 ASP H A 39 CYS HA 1.0 . 3.35 943 707 A 40 ASP H A 41 LEU H 1.0 . 3.38 944 708 A 41 LEU H A 39 CYS HA 1.0 . 4.53 945 709 A 42 ALA H A 43 ALA H 1.0 . 4.48 946 710 A 43 ALA H A 42 ALA HA 1.0 . 3.41 947 711 A 34 ARG H A 33 GLN HGy 1.0 . 4.40 948 712 A 34 ARG H A 33 GLN HGx 1.0 . 4.40 949 713 A 34 ARG H A 33 GLN HBx 1.0 . 4.19 950 713 A 33 GLN HBy A 34 ARG H 1.0 . 4.19 951 714 A 34 ARG HBy A 34 ARG H 1.0 . 3.83 952 715 A 42 ALA HB% A 34 ARG H 1.0 . 5.20 953 716 A 32 ILE HG2% A 34 ARG H 1.0 . 4.66 954 717 A 35 ALA H A 34 ARG HBy 1.0 . 3.66 955 718 A 35 ALA H A 42 ALA HB% 1.0 . 3.89 956 719 A 35 ALA HB% A 36 ASP H 1.0 . 3.92 957 720 A 37 GLY H A 36 ASP HBy 1.0 . 3.80 958 721 A 38 ASP H A 36 ASP HBy 1.0 . 5.02 959 722 A 39 CYS HBy A 40 ASP H 1.0 . 3.92 960 723 A 40 ASP H A 41 LEU HBx 1.0 . 4.86 961 723 A 41 LEU HBy A 40 ASP H 1.0 . 4.86 962 724 A 39 CYS HBy A 41 LEU H 1.0 . 3.98 963 725 A 39 CYS HBx A 41 LEU H 1.0 . 4.26 964 726 A 41 LEU H A 40 ASP HBx 1.0 . 3.87 965 726 A 40 ASP HBy A 41 LEU H 1.0 . 3.87 966 727 A 41 LEU H A 41 LEU HBx 1.0 . 3.31 967 727 A 41 LEU HBy A 41 LEU H 1.0 . 3.31 968 728 A 35 ALA HB% A 41 LEU H 1.0 . 4.54 969 729 A 41 LEU H A 41 LEU HDx% 1.0 . 4.90 970 730 A 41 LEU H A 41 LEU HDy% 1.0 . 4.90 971 731 A 42 ALA H A 42 ALA HB% 1.0 . 2.98 972 732 A 35 ALA HB% A 42 ALA H 1.0 . 3.77 973 733 A 42 ALA H A 41 LEU HDx% 1.0 . 4.57 974 734 A 42 ALA H A 41 LEU HDy% 1.0 . 4.57 975 735 A 43 ALA H A 57 PRO HDx 1.0 . 5.18 976 735 A 43 ALA H A 57 PRO HDy 1.0 . 5.18 977 736 A 43 ALA H A 33 GLN HGy 1.0 . 4.67 978 737 A 43 ALA H A 33 GLN HBx 1.0 . 3.64 979 737 A 33 GLN HBy A 43 ALA H 1.0 . 3.64 980 738 A 43 ALA H A 33 GLN HGx 1.0 . 4.67 981 739 A 55 VAL H A 44 VAL H 1.0 . 3.90 982 740 A 43 ALA H A 44 VAL H 1.0 . 4.53 983 741 A 44 VAL H A 54 CYS HA 1.0 . 4.91 984 742 A 43 ALA HA A 44 VAL H 1.0 . 3.55 985 743 A 45 ILE H A 44 VAL H 1.0 . 5.16 986 744 A 33 GLN H A 45 ILE H 1.0 . 4.28 987 745 A 45 ILE H A 30 CYS HA 1.0 . 5.50 988 746 A 32 ILE HA A 45 ILE H 1.0 . 4.30 989 747 A 45 ILE H A 54 CYS HA 1.0 . 5.50 990 748 A 45 ILE H A 46 LEU H 1.0 . 5.01 991 749 A 55 VAL H A 46 LEU H 1.0 . 5.00 992 750 A 46 LEU H A 54 CYS H 1.0 . 5.31 993 751 A 46 LEU H A 54 CYS HA 1.0 . 4.61 994 752 A 45 ILE HA A 46 LEU H 1.0 . 3.40 995 753 A 46 LEU H A 47 HIS H 1.0 . 5.01 996 754 A 46 LEU HA A 47 HIS H 1.0 . 3.44 997 755 A 48 VAL H A 49 LYS H 1.0 . 4.69 998 756 A 48 VAL H A 51 ARG H 1.0 . 3.68 999 757 A 52 ARG HA A 48 VAL H 1.0 . 4.78 1000 758 A 49 LYS H A 28 ASN HD2x 1.0 . 4.85 1001 759 A 16 SER H A 56 SER H 1.0 . 4.34 1002 760 A 51 ARG H A 50 ARG H 1.0 . 3.58 1003 761 A 49 LYS H A 51 ARG H 1.0 . 5.20 1004 762 A 47 HIS HA A 51 ARG H 1.0 . 5.36 1005 763 A 49 LYS HA A 51 ARG H 1.0 . 4.91 1006 764 A 52 ARG H A 53 ILE H 1.0 . 4.88 1007 765 A 53 ILE H A 54 CYS H 1.0 . 4.89 1008 766 A 47 HIS HA A 53 ILE H 1.0 . 4.45 1009 767 A 53 ILE H A 54 CYS HA 1.0 . 5.49 1010 768 A 54 CYS HBx A 44 VAL H 1.0 . 5.50 1011 769 A 45 ILE H A 33 GLN HBx 1.0 . 5.15 1012 769 A 45 ILE H A 33 GLN HBy 1.0 . 5.15 1013 770 A 45 ILE HB A 45 ILE H 1.0 . 3.64 1014 771 A 45 ILE H A 45 ILE HG1x 1.0 . 4.22 1015 772 A 45 ILE HG2% A 45 ILE H 1.0 . 4.28 1016 773 A 45 ILE HB A 46 LEU H 1.0 . 4.68 1017 774 A 46 LEU H A 46 LEU HDy% 1.0 . 5.37 1018 775 A 47 HIS H A 47 HIS HBx 1.0 . 3.51 1019 775 A 47 HIS HBy A 47 HIS H 1.0 . 3.51 1020 776 A 47 HIS H A 29 MET HGx 1.0 . 5.31 1021 776 A 29 MET HGy A 47 HIS H 1.0 . 5.31 1022 777 A 29 MET HBy A 47 HIS H 1.0 . 4.97 1023 778 A 27 VAL HA A 47 HIS H 1.0 . 5.34 1024 779 A 47 HIS H A 46 LEU HBx 1.0 . 4.15 1025 780 A 27 VAL HGx% A 47 HIS H 1.0 . 3.67 1026 781 A 27 VAL HGy% A 47 HIS H 1.0 . 4.36 1027 782 A 47 HIS H A 46 LEU HDx% 1.0 . 5.33 1028 783 A 47 HIS H A 46 LEU HDy% 1.0 . 5.33 1029 784 A 46 LEU HG A 47 HIS H 1.0 . 4.97 1030 785 A 48 VAL H A 48 VAL HGx% 1.0 . 4.05 1031 786 A 49 LYS H A 28 ASN HBx 1.0 . 5.01 1032 786 A 28 ASN HBy A 49 LYS H 1.0 . 5.01 1033 787 A 49 LYS HBy A 49 LYS H 1.0 . 4.15 1034 788 A 48 VAL HB A 49 LYS H 1.0 . 3.93 1035 789 A 49 LYS H A 48 VAL HGx% 1.0 . 4.31 1036 790 A 49 LYS H A 48 VAL HGy% 1.0 . 4.31 1037 791 A 49 LYS HBy A 50 ARG H 1.0 . 3.46 1038 792 A 48 VAL HB A 50 ARG H 1.0 . 3.31 1039 793 A 52 ARG H A 51 ARG HBx 1.0 . 3.39 1040 793 A 51 ARG HBy A 52 ARG H 1.0 . 3.39 1041 794 A 52 ARG H A 52 ARG HBx 1.0 . 3.22 1042 794 A 52 ARG H A 52 ARG HBy 1.0 . 3.22 1043 795 A 3 ALA HB% A 4 ILE H 1.0 . 5.19 1044 796 A 51 ARG H A 51 ARG HBx 1.0 . 3.11 1045 796 A 51 ARG HBy A 51 ARG H 1.0 . 3.11 1046 797 A 51 ARG H A 48 VAL HGx% 1.0 . 4.69 1047 798 A 51 ARG H A 48 VAL HGy% 1.0 . 4.69 1048 799 A 46 LEU HBy A 53 ILE H 1.0 . 4.27 1049 800 A 53 ILE HB A 53 ILE H 1.0 . 3.59 1050 801 A 53 ILE H A 53 ILE HG1y 1.0 . 4.48 1051 802 A 53 ILE H A 46 LEU HBx 1.0 . 4.19 1052 803 A 53 ILE H A 52 ARG HGx 1.0 . 4.32 1053 804 A 53 ILE H A 53 ILE HG1x 1.0 . 4.48 1054 805 A 45 ILE HA A 54 CYS H 1.0 . 5.42 1055 806 A 55 VAL H A 54 CYS H 1.0 . 5.15 1056 807 A 56 SER H A 55 VAL H 1.0 . 5.02 1057 808 A 55 VAL H A 54 CYS HA 1.0 . 3.22 1058 809 A 15 VAL HA A 55 VAL H 1.0 . 5.08 1059 810 A 58 HIS H A 59 ASN H 1.0 . 3.32 1060 811 A 59 ASN H A 62 VAL H 1.0 . 5.27 1061 812 A 48 VAL H A 53 ILE H 1.0 . 4.73 1062 813 A 16 SER H A 54 CYS H 1.0 . 4.66 1063 814 A 56 SER H A 44 VAL H 1.0 . 5.50 1064 815 A 58 HIS H A 58 HIS HD2 1.0 . 3.90 1065 816 A 59 ASN H A 58 HIS HD2 1.0 . 5.47 1066 817 A 61 THR H A 63 LYS H 1.0 . 4.68 1067 818 A 62 VAL H A 61 THR H 1.0 . 3.39 1068 819 A 62 VAL H A 59 ASN HD2y 1.0 . 5.41 1069 820 A 59 ASN HD2x A 62 VAL H 1.0 . 5.41 1070 821 A 64 GLN H A 62 VAL H 1.0 . 4.73 1071 822 A 62 VAL H A 63 LYS H 1.0 . 3.52 1072 823 A 63 LYS H A 66 MET H 1.0 . 5.47 1073 824 A 64 GLN H A 66 MET H 1.0 . 4.92 1074 825 A 54 CYS HBy A 55 VAL H 1.0 . 4.98 1075 826 A 58 HIS H A 58 HIS HBy 1.0 . 3.99 1076 827 A 59 ASN H A 57 PRO HA 1.0 . 4.49 1077 828 A 61 THR HB A 61 THR H 1.0 . 3.18 1078 829 A 60 HIS HA A 62 VAL H 1.0 . 4.95 1079 830 A 62 VAL H A 65 TRP HBy 1.0 . 5.50 1080 831 A 64 GLN H A 63 LYS H 1.0 . 3.34 1081 832 A 59 ASN H A 58 HIS HBy 1.0 . 4.66 1082 833 A 61 THR H A 59 ASN HBy 1.0 . 5.39 1083 834 A 61 THR H A 59 ASN HBx 1.0 . 5.39 1084 835 A 64 GLN H A 60 HIS HA 1.0 . 4.40 1085 836 A 61 THR HA A 64 GLN H 1.0 . 4.14 1086 837 A 64 GLN H A 21 ARG HDx 1.0 . 4.79 1087 837 A 21 ARG HDy A 64 GLN H 1.0 . 4.79 1088 838 A 53 ILE HB A 54 CYS H 1.0 . 4.53 1089 839 A 54 CYS H A 53 ILE HG1y 1.0 . 4.81 1090 840 A 54 CYS H A 53 ILE HG1x 1.0 . 4.81 1091 841 A 55 VAL H A 55 VAL HB 1.0 . 3.98 1092 842 A 55 VAL H A 46 LEU HG 1.0 . 5.29 1093 843 A 55 VAL H A 55 VAL HGy% 1.0 . 4.67 1094 844 A 57 PRO HGy A 58 HIS H 1.0 . 4.97 1095 845 A 58 HIS H A 57 PRO HGx 1.0 . 4.22 1096 846 A 62 VAL HGx% A 58 HIS H 1.0 . 5.50 1097 847 A 62 VAL HB A 59 ASN H 1.0 . 4.49 1098 848 A 59 ASN H A 63 LYS HGx 1.0 . 5.03 1099 848 A 59 ASN H A 63 LYS HGy 1.0 . 5.03 1100 849 A 62 VAL HGx% A 59 ASN H 1.0 . 4.45 1101 850 A 59 ASN H A 62 VAL HGy% 1.0 . 4.62 1102 851 A 62 VAL HB A 61 THR H 1.0 . 4.75 1103 852 A 61 THR H A 63 LYS HGx 1.0 . 5.50 1104 852 A 63 LYS HGy A 61 THR H 1.0 . 5.50 1105 853 A 19 ILE HG2% A 61 THR H 1.0 . 4.92 1106 854 A 24 LEU HDx% A 61 THR H 1.0 . 5.50 1107 855 A 62 VAL HGx% A 62 VAL H 1.0 . 3.79 1108 856 A 19 ILE HG2% A 62 VAL H 1.0 . 4.43 1109 857 A 24 LEU HDx% A 62 VAL H 1.0 . 5.11 1110 858 A 63 LYS H A 63 LYS HEx 1.0 . 5.02 1111 858 A 63 LYS HEy A 63 LYS H 1.0 . 5.02 1112 859 A 62 VAL HGx% A 63 LYS H 1.0 . 3.77 1113 860 A 19 ILE HG2% A 63 LYS H 1.0 . 5.50 1114 861 A 24 LEU HDx% A 63 LYS H 1.0 . 5.50 1115 862 A 24 LEU HDy% A 62 VAL H 1.0 . 5.50 1116 863 A 64 GLN H A 64 GLN HBx 1.0 . 2.90 1117 863 A 64 GLN H A 64 GLN HBy 1.0 . 2.90 1118 864 A 64 GLN H A 63 LYS HGx 1.0 . 4.30 1119 864 A 64 GLN H A 63 LYS HGy 1.0 . 4.30 1120 865 A 62 VAL HGx% A 64 GLN H 1.0 . 4.76 1121 866 A 65 TRP H A 66 MET H 1.0 . 3.59 1122 867 A 62 VAL H A 65 TRP H 1.0 . 5.14 1123 868 A 65 TRP H A 63 LYS H 1.0 . 4.75 1124 869 A 65 TRP HE3 A 65 TRP H 1.0 . 4.23 1125 870 A 65 TRP HE1 A 69 GLN HE2y 1.0 . 4.53 1126 871 A 65 TRP HE1 A 69 GLN HE2x 1.0 . 4.67 1127 872 A 66 MET H A 68 VAL H 1.0 . 5.26 1128 873 A 66 MET H A 67 LYS H 1.0 . 3.67 1129 874 A 65 TRP H A 67 LYS H 1.0 . 4.88 1130 875 A 67 LYS H A 69 GLN H 1.0 . 4.83 1131 876 A 68 VAL H A 69 GLN H 1.0 . 3.73 1132 877 A 69 GLN H A 70 ALA H 1.0 . 3.77 1133 878 A 69 GLN H A 71 ALA H 1.0 . 4.97 1134 879 A 69 GLN H A 69 GLN HE2x 1.0 . 4.83 1135 880 A 72 LYS H A 74 ASN H 1.0 . 5.50 1136 881 A 73 LYS H A 72 LYS H 1.0 . 4.98 1137 882 A 62 VAL HA A 65 TRP H 1.0 . 4.00 1138 883 A 65 TRP HD1 A 66 MET H 1.0 . 5.50 1139 884 A 65 TRP HZ3 A 66 MET H 1.0 . 5.39 1140 885 A 62 VAL HA A 66 MET H 1.0 . 4.59 1141 886 A 67 LYS H A 65 TRP HA 1.0 . 5.06 1142 887 A 65 TRP HA A 68 VAL H 1.0 . 4.51 1143 888 A 65 TRP HA A 69 GLN H 1.0 . 5.16 1144 889 A 67 LYS HA A 69 GLN H 1.0 . 5.16 1145 890 A 65 TRP H A 65 TRP HBy 1.0 . 3.35 1146 891 A 65 TRP H A 64 GLN HBx 1.0 . 3.43 1147 891 A 64 GLN HBy A 65 TRP H 1.0 . 3.43 1148 892 A 65 TRP H A 21 ARG HGx 1.0 . 5.36 1149 892 A 21 ARG HGy A 65 TRP H 1.0 . 5.36 1150 893 A 65 TRP HE1 A 69 GLN HGy 1.0 . 4.92 1151 894 A 24 LEU HBy A 65 TRP HE1 1.0 . 4.86 1152 895 A 24 LEU HA A 65 TRP HE1 1.0 . 5.48 1153 896 A 65 TRP HBx A 66 MET H 1.0 . 4.09 1154 897 A 66 MET H A 21 ARG HGx 1.0 . 5.37 1155 897 A 21 ARG HGy A 66 MET H 1.0 . 5.37 1156 898 A 65 TRP HE1 A 69 GLN HBy 1.0 . 5.50 1157 899 A 66 MET H A 69 GLN HBx 1.0 . 5.50 1158 900 A 67 LYS H A 66 MET HGy 1.0 . 5.26 1159 901 A 67 LYS H A 66 MET HGx 1.0 . 5.26 1160 902 A 67 LYS H A 66 MET HBy 1.0 . 3.91 1161 903 A 67 LYS H A 67 LYS HDx 1.0 . 4.65 1162 903 A 67 LYS HDy A 67 LYS H 1.0 . 4.65 1163 904 A 66 MET HA A 68 VAL H 1.0 . 5.49 1164 905 A 68 VAL H A 67 LYS HDx 1.0 . 5.38 1165 905 A 67 LYS HDy A 68 VAL H 1.0 . 5.38 1166 906 A 68 VAL H A 70 ALA HB% 1.0 . 4.68 1167 907 A 68 VAL HB A 69 GLN H 1.0 . 3.74 1168 908 A 69 GLN H A 67 LYS HBx 1.0 . 5.17 1169 908 A 67 LYS HBy A 69 GLN H 1.0 . 5.17 1170 909 A 69 GLN H A 69 GLN HBy 1.0 . 4.00 1171 910 A 69 GLN HBx A 69 GLN H 1.0 . 3.33 1172 911 A 66 MET HA A 70 ALA H 1.0 . 5.35 1173 912 A 68 VAL HA A 71 ALA H 1.0 . 4.35 1174 913 A 72 LYS H A 72 LYS HDx 1.0 . 3.91 1175 913 A 72 LYS HDy A 72 LYS H 1.0 . 3.91 1176 914 A 71 ALA HB% A 71 ALA H 1.0 . 3.27 1177 915 A 73 LYS H A 72 LYS HGx 1.0 . 4.66 1178 915 A 72 LYS HGy A 73 LYS H 1.0 . 4.66 1179 916 A 24 LEU HDx% A 65 TRP H 1.0 . 4.53 1180 917 A 24 LEU HDy% A 65 TRP H 1.0 . 5.50 1181 918 A 65 TRP HE1 A 69 GLN HGx 1.0 . 4.76 1182 919 A 27 VAL HGy% A 65 TRP HE1 1.0 . 5.12 1183 920 A 24 LEU HBx A 65 TRP HE1 1.0 . 4.49 1184 921 A 62 VAL HGx% A 66 MET H 1.0 . 4.54 1185 922 A 79 VAL HGx% A 66 MET H 1.0 . 5.50 1186 923 A 24 LEU HDx% A 66 MET H 1.0 . 5.37 1187 924 A 24 LEU HDy% A 66 MET H 1.0 . 5.50 1188 925 A 79 VAL HGx% A 67 LYS H 1.0 . 5.50 1189 926 A 68 VAL H A 68 VAL HGy% 1.0 . 4.24 1190 927 A 69 GLN H A 68 VAL HGy% 1.0 . 5.25 1191 928 A 79 VAL HGy% A 69 GLN H 1.0 . 5.20 1192 929 A 79 VAL HGy% A 71 ALA H 1.0 . 5.50 1193 930 A 75 GLY H A 76 LYS H 1.0 . 5.38 1194 931 A 77 GLY H A 76 LYS H 1.0 . 4.73 1195 932 A 102 TYR H A 102 TYR HD% 1.0 . 5.28 1196 933 A 81 HIS HD2 A 81 HIS H 1.0 . 4.14 1197 934 A 79 VAL H A 80 CYS H 1.0 . 4.60 1198 935 A 81 HIS H A 80 CYS H 1.0 . 4.44 1199 936 A 74 ASN H A 72 LYS HBx 1.0 . 5.50 1200 936 A 72 LYS HBy A 74 ASN H 1.0 . 5.50 1201 937 A 78 ASN HBy A 79 VAL H 1.0 . 5.50 1202 938 A 78 ASN HBx A 79 VAL H 1.0 . 5.50 1203 939 A 79 VAL H A 79 VAL HB 1.0 . 4.10 1204 940 A 79 VAL HGx% A 79 VAL H 1.0 . 3.85 1205 941 A 80 CYS H A 79 VAL HB 1.0 . 4.27 1206 942 A 79 VAL HGx% A 80 CYS H 1.0 . 4.10 1207 943 A 79 VAL HGx% A 81 HIS H 1.0 . 5.32 1208 944 A 83 LYS H A 82 ARG HDx 1.0 . 5.41 1209 944 A 82 ARG HDy A 83 LYS H 1.0 . 5.41 1210 945 A 83 LYS H A 82 ARG HBy 1.0 . 3.87 1211 946 A 83 LYS H A 82 ARG HBx 1.0 . 3.87 1212 947 A 83 LYS H A 83 LYS HGx 1.0 . 4.68 1213 947 A 83 LYS H A 83 LYS HGy 1.0 . 4.68 1214 948 A 84 LYS H A 83 LYS HGx 1.0 . 5.41 1215 948 A 83 LYS HGy A 84 LYS H 1.0 . 5.41 1216 949 A 88 LYS H A 88 LYS HDx 1.0 . 5.50 1217 949 A 88 LYS HDy A 88 LYS H 1.0 . 5.50 1218 950 A 89 ARG H A 89 ARG HGx 1.0 . 5.50 1219 950 A 89 ARG HGy A 89 ARG H 1.0 . 5.50 1220 951 A 94 ALA H A 94 ALA HB% 1.0 . 4.17 1221 952 A 102 TYR H A 101 THR HB 1.0 . 4.73 1222 953 A 93 ARG H A 93 ARG HGx 1.0 . 5.50 1223 953 A 93 ARG H A 93 ARG HGy 1.0 . 5.50 1224 954 A 101 THR H A 101 THR HG2% 1.0 . 5.26 1225 955 A 102 TYR H A 101 THR HG2% 1.0 . 5.50 1226 956 A 38 ASP H A 39 CYS H 1.0 . 3.44 1227 957 A 56 SER H A 18 HIS H 1.0 . 5.45 1228 958 A 78 ASN H A 79 VAL H 1.0 . 4.90 1229 959 A 67 LYS H A 68 VAL H 1.0 . 3.50 1230 960 A 32 ILE H A 31 ARG H 1.0 . 5.23 1231 961 A 30 CYS H A 31 ARG H 1.0 . 5.50 1232 962 A 46 LEU HA A 31 ARG H 1.0 . 5.50 1233 963 A 44 VAL HA A 31 ARG H 1.0 . 5.50 1234 964 A 28 ASN HD2y A 49 LYS H 1.0 . 4.87 1235 965 A 28 ASN H A 28 ASN HD2y 1.0 . 5.46 1236 966 A 48 VAL H A 28 ASN HD2x 1.0 . 5.50 1237 967 A 28 ASN H A 28 ASN HD2x 1.0 . 5.50 1238 968 A 48 VAL HA A 28 ASN HD2y 1.0 . 5.50 1239 969 A 49 LYS HA A 28 ASN HD2y 1.0 . 5.41 1240 970 A 28 ASN HA A 28 ASN HD2x 1.0 . 5.06 1241 971 A 48 VAL HA A 28 ASN HD2x 1.0 . 5.50 1242 972 A 49 LYS HA A 28 ASN HD2x 1.0 . 5.14 1243 973 A 28 ASN HD2y A 48 VAL HB 1.0 . 5.50 1244 974 A 28 ASN HD2y A 49 LYS HDx 1.0 . 5.50 1245 974 A 49 LYS HDy A 28 ASN HD2y 1.0 . 5.50 1246 975 A 28 ASN HD2x A 47 HIS HBx 1.0 . 5.50 1247 975 A 47 HIS HBy A 28 ASN HD2x 1.0 . 5.50 1248 976 A 28 ASN HD2x A 49 LYS HDx 1.0 . 5.50 1249 976 A 49 LYS HDy A 28 ASN HD2x 1.0 . 5.50 1250 977 A 29 MET H A 30 CYS H 1.0 . 5.50 1251 978 A 30 CYS HBx A 31 ARG H 1.0 . 4.80 1252 979 A 30 CYS HBy A 31 ARG H 1.0 . 5.32 1253 980 A 45 ILE HG2% A 31 ARG H 1.0 . 5.15 1254 981 A 33 GLN HE2x A 12 CYS H 1.0 . 4.50 1255 982 A 33 GLN HE2y A 12 CYS HBx 1.0 . 4.51 1256 983 A 43 ALA HB% A 33 GLN HE2y 1.0 . 4.66 1257 984 A 45 ILE HD1% A 33 GLN HE2y 1.0 . 5.50 1258 985 A 39 CYS HBx A 33 GLN HE2x 1.0 . 4.32 1259 986 A 33 GLN HE2x A 12 CYS HBx 1.0 . 4.51 1260 987 A 33 GLN HE2x A 33 GLN HBx 1.0 . 5.15 1261 987 A 33 GLN HBy A 33 GLN HE2x 1.0 . 5.15 1262 988 A 33 GLN HE2x A 41 LEU HBx 1.0 . 4.52 1263 988 A 41 LEU HBy A 33 GLN HE2x 1.0 . 4.52 1264 989 A 45 ILE HD1% A 33 GLN HE2x 1.0 . 5.50 1265 990 A 19 ILE H A 59 ASN HD2y 1.0 . 4.66 1266 991 A 61 THR HB A 59 ASN HD2y 1.0 . 5.50 1267 992 A 59 ASN HD2x A 19 ILE H 1.0 . 4.66 1268 993 A 62 VAL HGy% A 59 ASN HD2y 1.0 . 5.50 1269 994 A 19 ILE HG2% A 59 ASN HD2y 1.0 . 5.20 1270 995 A 59 ASN HD2x A 62 VAL HGy% 1.0 . 5.50 1271 996 A 64 GLN HE2y A 64 GLN HBx 1.0 . 5.50 1272 996 A 64 GLN HBy A 64 GLN HE2y 1.0 . 5.50 1273 997 A 64 GLN HE2x A 64 GLN HBx 1.0 . 5.50 1274 997 A 64 GLN HBy A 64 GLN HE2x 1.0 . 5.50 1275 998 A 64 GLN HE2x A 67 LYS HDx 1.0 . 5.50 1276 998 A 67 LYS HDy A 64 GLN HE2x 1.0 . 5.50 1277 999 A 64 GLN HE2x A 68 VAL HGx% 1.0 . 5.50 1278 1000 A 64 GLN HE2x A 68 VAL HGy% 1.0 . 5.50 1279 1001 A 64 GLN HE2y A 67 LYS HDx 1.0 . 5.50 1280 1001 A 67 LYS HDy A 64 GLN HE2y 1.0 . 5.50 1281 1002 A 64 GLN HE2y A 67 LYS HBx 1.0 . 5.50 1282 1002 A 67 LYS HBy A 64 GLN HE2y 1.0 . 5.50 1283 1003 A 64 GLN HE2x A 67 LYS HBx 1.0 . 5.50 1284 1003 A 67 LYS HBy A 64 GLN HE2x 1.0 . 5.50 1285 1004 A 69 GLN H A 69 GLN HE2y 1.0 . 5.50 1286 1005 A 69 GLN HA A 69 GLN HE2y 1.0 . 5.50 1287 1006 A 69 GLN HE2y A 72 LYS HEx 1.0 . 5.50 1288 1006 A 72 LYS HEy A 69 GLN HE2y 1.0 . 5.50 1289 1007 A 69 GLN HA A 69 GLN HE2x 1.0 . 5.50 1290 1008 A 69 GLN HE2x A 72 LYS HEx 1.0 . 5.50 1291 1008 A 72 LYS HEy A 69 GLN HE2x 1.0 . 5.50 1292 1009 A 68 VAL HB A 69 GLN HE2x 1.0 . 5.50 1293 1010 A 69 GLN HBy A 69 GLN HE2x 1.0 . 5.50 1294 1011 A 74 ASN HD2y A 72 LYS HDx 1.0 . 5.50 1295 1011 A 72 LYS HDy A 74 ASN HD2y 1.0 . 5.50 1296 1012 A 74 ASN HD2y A 72 LYS HGx 1.0 . 5.50 1297 1012 A 72 LYS HGy A 74 ASN HD2y 1.0 . 5.50 1298 1013 A 74 ASN HD2x A 72 LYS HDx 1.0 . 5.50 1299 1013 A 72 LYS HDy A 74 ASN HD2x 1.0 . 5.50 1300 1014 A 74 ASN HD2x A 72 LYS HGx 1.0 . 5.50 1301 1014 A 72 LYS HGy A 74 ASN HD2x 1.0 . 5.50 1302 1015 A 28 ASN HA A 78 ASN HD2x 1.0 . 5.50 1303 1016 A 28 ASN HA A 78 ASN HD2y 1.0 . 5.50 1304 1017 A 78 ASN HA A 78 ASN HD2y 1.0 . 5.06 1305 1018 A 70 ALA HA A 78 ASN HD2y 1.0 . 5.50 1306 1019 A 27 VAL HB A 78 ASN HD2y 1.0 . 5.50 1307 1020 A 70 ALA HA A 78 ASN HD2x 1.0 . 5.50 1308 1021 A 27 VAL HB A 78 ASN HD2x 1.0 . 5.50 1309 1022 A 59 ASN H A 63 LYS H 1.0 . 5.11 1310 1023 A 13 THR HG2% A 13 THR H 1.0 . 5.50 1311 1024 A 14 GLU H A 12 CYS HBx 1.0 . 4.78 1312 1025 A 26 ARG HA A 25 GLU H 1.0 . 5.50 1313 1026 A 48 VAL HB A 28 ASN HD2x 1.0 . 5.50 1314 1027 A 27 VAL HGx% A 78 ASN HD2x 1.0 . 5.50 1315 1028 A 16 SER H A 55 VAL H 1.0 . 5.50 1316 1029 A 12 CYS H A 13 THR H 1.0 . 5.50 1317 1030 A 51 ARG H A 51 ARG HDx 1.0 . 4.90 1318 1030 A 51 ARG HDy A 51 ARG H 1.0 . 4.90 1319 1031 A 49 LYS H A 50 ARG H 1.0 . 4.68 1320 1032 A 56 SER H A 58 HIS H 1.0 . 5.50 1321 1033 A 56 SER H A 55 VAL HGx% 1.0 . 4.77 1322 1034 A 56 SER H A 56 SER HBy 1.0 . 3.41 1323 1035 A 69 GLN H A 69 GLN HGx 1.0 . 4.10 1324 1036 A 68 VAL HB A 69 GLN HE2y 1.0 . 5.50 1325 1037 A 74 ASN H A 72 LYS HGx 1.0 . 5.50 1326 1037 A 72 LYS HGy A 74 ASN H 1.0 . 5.50 1327 1038 A 27 VAL HGx% A 78 ASN HD2y 1.0 . 5.50 1328 1039 A 80 CYS HBy A 80 CYS H 1.0 . 4.05 1329 1040 A 45 ILE H A 12 CYS HBy 1.0 . 5.50 1330 1041 A 15 VAL H A 54 CYS HBy 1.0 . 5.50 1331 1042 A 56 SER H A 17 HIS H 1.0 . 3.95 1332 1043 A 59 ASN H A 59 ASN HBy 1.0 . 3.28 1333 1044 A 59 ASN H A 59 ASN HBx 1.0 . 3.28 1334 1045 A 24 LEU H A 25 GLU HGx 1.0 . 5.50 1335 1046 A 24 LEU H A 25 GLU HGy 1.0 . 5.50 1336 1047 A 61 THR H A 60 HIS H 1.0 . 4.67 1337 1048 A 59 ASN H A 60 HIS H 1.0 . 5.50 1338 1049 A 28 ASN H A 48 VAL H 1.0 . 5.50 1339 1050 A 61 THR HB A 59 ASN HD2x 1.0 . 5.50 1340 1051 A 5 LEU H A 5 LEU HBx 1.0 . 3.10 1341 1051 A 5 LEU H A 5 LEU HBy 1.0 . 3.10 1342 1052 A 34 ARG HA A 43 ALA H 1.0 . 4.38 1343 1053 A 34 ARG HA A 35 ALA H 1.0 . 3.10 1344 1054 A 35 ALA H A 42 ALA HA 1.0 . 4.42 1345 1055 A 45 ILE H A 31 ARG H 1.0 . 3.83 1346 1056 A 35 ALA H A 41 LEU H 1.0 . 4.39 1347 1057 A 56 SER HA A 44 VAL H 1.0 . 4.25 1348 1058 A 45 ILE HA A 55 VAL H 1.0 . 4.63 1349 1059 A 77 GLY H A 78 ASN H 1.0 . 4.70 1350 1060 A 65 TRP HE3 A 66 MET H 1.0 . 3.39 1351 1061 A 107 PRO HDx A 108 TYR HD% 1.0 . 3.96 1352 1062 A 18 HIS H A 18 HIS HD2 1.0 . 4.33 1353 1063 A 30 CYS HA A 47 HIS HD2 1.0 . 4.45 1354 1064 A 47 HIS HA A 47 HIS HD2 1.0 . 4.46 1355 1065 A 46 LEU HA A 47 HIS HD2 1.0 . 5.13 1356 1066 A 47 HIS H A 47 HIS HD2 1.0 . 4.18 1357 1067 A 53 ILE H A 47 HIS HD2 1.0 . 5.48 1358 1068 A 85 HIS H A 85 HIS HD2 1.0 . 5.12 1359 1069 A 61 THR H A 60 HIS HD2 1.0 . 4.69 1360 1070 A 58 HIS HA A 58 HIS HD2 1.0 . 4.29 1361 1071 A 60 HIS HA A 60 HIS HD2 1.0 . 4.20 1362 1072 A 85 HIS HD2 A 85 HIS HBy 1.0 . 3.58 1363 1073 A 85 HIS HD2 A 85 HIS HBx 1.0 . 3.58 1364 1074 A 58 HIS HD2 A 57 PRO HDx 1.0 . 3.75 1365 1074 A 57 PRO HDy A 58 HIS HD2 1.0 . 3.75 1366 1075 A 58 HIS HBx A 58 HIS HD2 1.0 . 3.16 1367 1076 A 61 THR HA A 60 HIS HD2 1.0 . 4.26 1368 1077 A 47 HIS HD2 A 29 MET HGx 1.0 . 4.57 1369 1077 A 29 MET HGy A 47 HIS HD2 1.0 . 4.57 1370 1078 A 29 MET HBy A 47 HIS HD2 1.0 . 4.98 1371 1079 A 45 ILE HB A 47 HIS HD2 1.0 . 4.34 1372 1080 A 47 HIS HD2 A 52 ARG HBx 1.0 . 4.57 1373 1080 A 52 ARG HBy A 47 HIS HD2 1.0 . 4.57 1374 1081 A 52 ARG HGx A 47 HIS HD2 1.0 . 4.83 1375 1082 A 45 ILE HG2% A 47 HIS HD2 1.0 . 3.78 1376 1083 A 47 HIS HE1 A 29 MET HGx 1.0 . 4.64 1377 1083 A 29 MET HGy A 47 HIS HE1 1.0 . 4.64 1378 1084 A 29 MET HBy A 47 HIS HE1 1.0 . 5.07 1379 1085 A 52 ARG HGy A 47 HIS HE1 1.0 . 3.88 1380 1086 A 52 ARG HGy A 47 HIS HD2 1.0 . 4.80 1381 1087 A 58 HIS HD2 A 57 PRO HBy 1.0 . 4.92 1382 1088 A 57 PRO HGy A 58 HIS HD2 1.0 . 4.58 1383 1089 A 58 HIS HD2 A 57 PRO HGx 1.0 . 3.74 1384 1090 A 60 HIS HD2 A 64 GLN HBx 1.0 . 4.65 1385 1090 A 64 GLN HBy A 60 HIS HD2 1.0 . 4.65 1386 1091 A 61 THR HG2% A 60 HIS HD2 1.0 . 4.77 1387 1092 A 65 TRP HD1 A 69 GLN HE2x 1.0 . 4.28 1388 1093 A 63 LYS H A 81 HIS HD2 1.0 . 4.87 1389 1094 A 21 ARG HA A 65 TRP HD1 1.0 . 4.63 1390 1095 A 65 TRP HD1 A 65 TRP HBy 1.0 . 3.83 1391 1096 A 65 TRP HD1 A 65 TRP HBx 1.0 . 3.38 1392 1097 A 62 VAL HA A 65 TRP HE3 1.0 . 4.12 1393 1098 A 65 TRP HZ3 A 30 CYS HBx 1.0 . 4.65 1394 1099 A 65 TRP HZ3 A 66 MET HGy 1.0 . 4.58 1395 1100 A 65 TRP HZ2 A 69 GLN HE2x 1.0 . 5.23 1396 1101 A 27 VAL HA A 65 TRP HZ2 1.0 . 4.86 1397 1102 A 24 LEU HA A 65 TRP HZ2 1.0 . 4.67 1398 1103 A 65 TRP HZ2 A 30 CYS HBx 1.0 . 4.80 1399 1104 A 78 ASN HBy A 65 TRP HZ2 1.0 . 4.62 1400 1105 A 65 TRP HH2 A 30 CYS HBx 1.0 . 3.78 1401 1106 A 65 TRP HH2 A 78 ASN HBy 1.0 . 4.89 1402 1107 A 81 HIS HD2 A 81 HIS HBy 1.0 . 3.59 1403 1108 A 65 TRP HD1 A 69 GLN HGx 1.0 . 4.26 1404 1109 A 65 TRP HD1 A 21 ARG HGx 1.0 . 4.37 1405 1109 A 21 ARG HGy A 65 TRP HD1 1.0 . 4.37 1406 1110 A 65 TRP HE3 A 69 GLN HBx 1.0 . 5.33 1407 1111 A 65 TRP HE3 A 62 VAL HGy% 1.0 . 4.13 1408 1112 A 65 TRP HZ3 A 62 VAL HGy% 1.0 . 3.95 1409 1113 A 24 LEU HDy% A 65 TRP HZ3 1.0 . 4.92 1410 1114 A 78 ASN HBx A 65 TRP HZ2 1.0 . 4.62 1411 1115 A 27 VAL HB A 65 TRP HZ2 1.0 . 3.43 1412 1116 A 69 GLN HBy A 65 TRP HZ2 1.0 . 4.95 1413 1117 A 69 GLN HGy A 65 TRP HZ2 1.0 . 4.58 1414 1118 A 27 VAL HGx% A 65 TRP HZ2 1.0 . 3.39 1415 1119 A 27 VAL HGy% A 65 TRP HZ2 1.0 . 3.55 1416 1120 A 24 LEU HBx A 65 TRP HZ2 1.0 . 5.07 1417 1121 A 24 LEU HDy% A 65 TRP HZ2 1.0 . 4.62 1418 1122 A 65 TRP HH2 A 78 ASN HBx 1.0 . 4.89 1419 1123 A 65 TRP HH2 A 27 VAL HGx% 1.0 . 3.33 1420 1124 A 65 TRP HH2 A 46 LEU HDx% 1.0 . 4.86 1421 1125 A 65 TRP HH2 A 46 LEU HDy% 1.0 . 4.86 1422 1126 A 81 HIS HD2 A 63 LYS HBx 1.0 . 4.52 1423 1126 A 63 LYS HBy A 81 HIS HD2 1.0 . 4.52 1424 1127 A 81 HIS HD2 A 63 LYS HGx 1.0 . 4.41 1425 1127 A 63 LYS HGy A 81 HIS HD2 1.0 . 4.41 1426 1128 A 32 ILE HD1% A 81 HIS HD2 1.0 . 4.24 1427 1129 A 86 HIS HA A 86 HIS HD2 1.0 . 4.43 1428 1130 A 86 HIS HD2 A 86 HIS HBx 1.0 . 3.58 1429 1130 A 86 HIS HD2 A 86 HIS HBy 1.0 . 3.58 1430 1131 A 102 TYR HD% A 102 TYR HA 1.0 . 3.91 1431 1132 A 108 TYR HD% A 108 TYR HA 1.0 . 4.42 1432 1133 A 102 TYR HD% A 101 THR HA 1.0 . 5.05 1433 1134 A 108 TYR HA A 108 TYR HE% 1.0 . 5.50 1434 1135 A 101 THR HA A 102 TYR HE% 1.0 . 5.35 1435 1136 A 107 PRO HDx A 108 TYR HE% 1.0 . 5.32 1436 1137 A 18 HIS HA A 18 HIS HD2 1.0 . 4.91 1437 1138 A 65 TRP HH2 A 30 CYS HA 1.0 . 5.35 1438 1139 A 24 LEU HDx% A 65 TRP HD1 1.0 . 3.66 1439 1140 A 45 ILE HG2% A 47 HIS HE1 1.0 . 3.68 1440 1141 A 5 LEU H A 4 ILE HG1x 1.0 . 5.30 1441 1141 A 5 LEU H A 4 ILE HG1y 1.0 . 5.30 1442 1142 A 5 LEU H A 6 PRO HDy 1.0 . 4.93 1443 1142 A 5 LEU H A 6 PRO HDx 1.0 . 4.93 1444 1143 A 7 ILE HG2% A 7 ILE HG1x 1.0 . 3.38 1445 1143 A 7 ILE HG2% A 7 ILE HG1y 1.0 . 3.38 1446 1144 A 13 THR HG2% A 11 CYS HBy 1.0 . 4.63 1447 1144 A 13 THR HG2% A 11 CYS HBx 1.0 . 4.63 1448 1145 A 33 GLN HE2y A 11 CYS HBx 1.0 . 4.68 1449 1145 A 33 GLN HE2y A 11 CYS HBy 1.0 . 4.68 1450 1145 A 33 GLN HE2x A 11 CYS HBx 1.0 . 4.68 1451 1145 A 33 GLN HE2x A 11 CYS HBy 1.0 . 4.68 1452 1146 A 39 CYS HBy A 11 CYS HBy 1.0 . 4.42 1453 1146 A 39 CYS HBy A 11 CYS HBx 1.0 . 4.42 1454 1147 A 33 GLN HE2y A 12 CYS H 1.0 . 3.77 1455 1147 A 33 GLN HE2x A 12 CYS H 1.0 . 3.77 1456 1148 A 33 GLN HE2y A 12 CYS HBx 1.0 . 3.85 1457 1148 A 33 GLN HE2x A 12 CYS HBx 1.0 . 3.85 1458 1149 A 33 GLN HE2y A 12 CYS HBy 1.0 . 4.89 1459 1149 A 33 GLN HE2x A 12 CYS HBy 1.0 . 4.89 1460 1150 A 14 GLU H A 41 LEU HDy% 1.0 . 4.27 1461 1150 A 14 GLU H A 41 LEU HDx% 1.0 . 4.27 1462 1151 A 15 VAL H A 14 GLU HBy 1.0 . 3.59 1463 1151 A 15 VAL H A 14 GLU HBx 1.0 . 3.59 1464 1152 A 15 VAL H A 15 VAL HGx% 1.0 . 3.22 1465 1152 A 15 VAL H A 15 VAL HGy% 1.0 . 3.22 1466 1153 A 16 SER H A 15 VAL HGx% 1.0 . 3.83 1467 1153 A 16 SER H A 15 VAL HGy% 1.0 . 3.83 1468 1154 A 15 VAL HGx% A 16 SER HBx 1.0 . 4.56 1469 1154 A 15 VAL HGy% A 16 SER HBx 1.0 . 4.56 1470 1154 A 16 SER HBy A 15 VAL HGx% 1.0 . 4.56 1471 1154 A 16 SER HBy A 15 VAL HGy% 1.0 . 4.56 1472 1155 A 43 ALA HA A 15 VAL HGx% 1.0 . 4.98 1473 1155 A 43 ALA HA A 15 VAL HGy% 1.0 . 4.98 1474 1156 A 43 ALA HB% A 15 VAL HGx% 1.0 . 3.45 1475 1156 A 43 ALA HB% A 15 VAL HGy% 1.0 . 3.45 1476 1157 A 44 VAL H A 15 VAL HGx% 1.0 . 5.44 1477 1157 A 44 VAL H A 15 VAL HGy% 1.0 . 5.44 1478 1158 A 54 CYS HBy A 15 VAL HGx% 1.0 . 4.29 1479 1158 A 54 CYS HBy A 15 VAL HGy% 1.0 . 4.29 1480 1159 A 55 VAL H A 15 VAL HGx% 1.0 . 5.44 1481 1159 A 55 VAL H A 15 VAL HGy% 1.0 . 5.44 1482 1160 A 55 VAL HA A 15 VAL HGx% 1.0 . 4.57 1483 1160 A 55 VAL HA A 15 VAL HGy% 1.0 . 4.57 1484 1161 A 56 SER H A 15 VAL HGx% 1.0 . 3.62 1485 1161 A 56 SER H A 15 VAL HGy% 1.0 . 3.62 1486 1162 A 56 SER HA A 15 VAL HGx% 1.0 . 3.98 1487 1162 A 56 SER HA A 15 VAL HGy% 1.0 . 3.98 1488 1163 A 58 HIS H A 15 VAL HGx% 1.0 . 5.44 1489 1163 A 58 HIS H A 15 VAL HGy% 1.0 . 5.44 1490 1164 A 16 SER H A 55 VAL HGx% 1.0 . 4.71 1491 1164 A 16 SER H A 55 VAL HGy% 1.0 . 4.71 1492 1165 A 16 SER HA A 55 VAL HGx% 1.0 . 4.96 1493 1165 A 55 VAL HGy% A 16 SER HA 1.0 . 4.96 1494 1166 A 16 SER HBy A 55 VAL HGx% 1.0 . 4.30 1495 1166 A 16 SER HBx A 55 VAL HGx% 1.0 . 4.30 1496 1166 A 55 VAL HGy% A 16 SER HBx 1.0 . 4.30 1497 1166 A 16 SER HBy A 55 VAL HGy% 1.0 . 4.30 1498 1167 A 18 HIS H A 56 SER HBx 1.0 . 5.07 1499 1167 A 18 HIS H A 56 SER HBy 1.0 . 5.07 1500 1168 A 18 HIS HA A 56 SER HBx 1.0 . 4.53 1501 1168 A 18 HIS HA A 56 SER HBy 1.0 . 4.53 1502 1169 A 19 ILE H A 18 HIS HBy 1.0 . 4.12 1503 1169 A 19 ILE H A 18 HIS HBx 1.0 . 4.12 1504 1170 A 19 ILE H A 19 ILE HG1x 1.0 . 4.21 1505 1170 A 19 ILE H A 19 ILE HG1y 1.0 . 4.21 1506 1171 A 19 ILE H A 59 ASN HD2y 1.0 . 4.01 1507 1171 A 59 ASN HD2x A 19 ILE H 1.0 . 4.01 1508 1172 A 19 ILE HB A 46 LEU HDy% 1.0 . 4.75 1509 1172 A 19 ILE HB A 46 LEU HDx% 1.0 . 4.75 1510 1173 A 19 ILE HB A 55 VAL HGx% 1.0 . 3.83 1511 1173 A 19 ILE HB A 55 VAL HGy% 1.0 . 3.83 1512 1174 A 19 ILE HG2% A 46 LEU HDy% 1.0 . 3.30 1513 1174 A 19 ILE HG2% A 46 LEU HDx% 1.0 . 3.30 1514 1175 A 19 ILE HG2% A 55 VAL HGx% 1.0 . 3.76 1515 1175 A 19 ILE HG2% A 55 VAL HGy% 1.0 . 3.76 1516 1176 A 19 ILE HG2% A 59 ASN HD2y 1.0 . 4.50 1517 1176 A 19 ILE HG2% A 59 ASN HD2x 1.0 . 4.50 1518 1177 A 20 SER H A 19 ILE HG1x 1.0 . 3.59 1519 1177 A 20 SER H A 19 ILE HG1y 1.0 . 3.59 1520 1178 A 24 LEU HDx% A 19 ILE HG1x 1.0 . 5.34 1521 1178 A 24 LEU HDx% A 19 ILE HG1y 1.0 . 5.34 1522 1179 A 24 LEU HDy% A 19 ILE HG1x 1.0 . 4.84 1523 1179 A 24 LEU HDy% A 19 ILE HG1y 1.0 . 4.84 1524 1180 A 19 ILE HG1x A 46 LEU HDy% 1.0 . 4.56 1525 1180 A 19 ILE HG1y A 46 LEU HDy% 1.0 . 4.56 1526 1180 A 46 LEU HDx% A 19 ILE HG1x 1.0 . 4.56 1527 1180 A 19 ILE HG1y A 46 LEU HDx% 1.0 . 4.56 1528 1181 A 19 ILE HD1% A 46 LEU HDy% 1.0 . 3.18 1529 1181 A 19 ILE HD1% A 46 LEU HDx% 1.0 . 3.18 1530 1182 A 19 ILE HD1% A 55 VAL HGx% 1.0 . 3.27 1531 1182 A 19 ILE HD1% A 55 VAL HGy% 1.0 . 3.27 1532 1183 A 20 SER H A 23 LEU HDy% 1.0 . 5.44 1533 1183 A 20 SER H A 23 LEU HDx% 1.0 . 5.44 1534 1184 A 22 ARG HA A 25 GLU HBy 1.0 . 4.39 1535 1184 A 22 ARG HA A 25 GLU HBx 1.0 . 4.39 1536 1185 A 22 ARG HA A 25 GLU HGy 1.0 . 4.53 1537 1185 A 22 ARG HA A 25 GLU HGx 1.0 . 4.53 1538 1186 A 23 LEU H A 23 LEU HDy% 1.0 . 4.22 1539 1186 A 23 LEU H A 23 LEU HDx% 1.0 . 4.22 1540 1187 A 23 LEU HA A 23 LEU HDy% 1.0 . 3.64 1541 1187 A 23 LEU HA A 23 LEU HDx% 1.0 . 3.64 1542 1188 A 23 LEU HA A 25 GLU HBy 1.0 . 5.34 1543 1188 A 23 LEU HA A 25 GLU HBx 1.0 . 5.34 1544 1189 A 24 LEU H A 23 LEU HDy% 1.0 . 4.43 1545 1189 A 24 LEU H A 23 LEU HDx% 1.0 . 4.43 1546 1190 A 24 LEU HA A 23 LEU HDy% 1.0 . 3.69 1547 1190 A 24 LEU HA A 23 LEU HDx% 1.0 . 3.69 1548 1191 A 24 LEU HBy A 23 LEU HDy% 1.0 . 5.44 1549 1191 A 24 LEU HBy A 23 LEU HDx% 1.0 . 5.44 1550 1192 A 24 LEU HBx A 23 LEU HDy% 1.0 . 5.44 1551 1192 A 24 LEU HBx A 23 LEU HDx% 1.0 . 5.44 1552 1193 A 24 LEU HG A 23 LEU HDy% 1.0 . 5.39 1553 1193 A 24 LEU HG A 23 LEU HDx% 1.0 . 5.39 1554 1194 A 24 LEU HDx% A 23 LEU HDy% 1.0 . 4.67 1555 1194 A 24 LEU HDx% A 23 LEU HDx% 1.0 . 4.67 1556 1195 A 24 LEU HDy% A 23 LEU HDy% 1.0 . 3.64 1557 1195 A 24 LEU HDy% A 23 LEU HDx% 1.0 . 3.64 1558 1196 A 25 GLU H A 23 LEU HDy% 1.0 . 4.77 1559 1196 A 25 GLU H A 23 LEU HDx% 1.0 . 4.77 1560 1197 A 26 ARG H A 23 LEU HDy% 1.0 . 3.80 1561 1197 A 26 ARG H A 23 LEU HDx% 1.0 . 3.80 1562 1198 A 26 ARG HBx A 23 LEU HDy% 1.0 . 4.38 1563 1198 A 26 ARG HBx A 23 LEU HDx% 1.0 . 4.38 1564 1199 A 26 ARG HGy A 23 LEU HDy% 1.0 . 4.88 1565 1199 A 26 ARG HGy A 23 LEU HDx% 1.0 . 4.88 1566 1200 A 27 VAL H A 23 LEU HDy% 1.0 . 4.08 1567 1200 A 27 VAL H A 23 LEU HDx% 1.0 . 4.08 1568 1201 A 24 LEU H A 25 GLU HBy 1.0 . 4.88 1569 1201 A 24 LEU H A 25 GLU HBx 1.0 . 4.88 1570 1202 A 24 LEU H A 25 GLU HGy 1.0 . 4.82 1571 1202 A 24 LEU H A 25 GLU HGx 1.0 . 4.82 1572 1203 A 24 LEU HA A 46 LEU HDy% 1.0 . 5.44 1573 1203 A 24 LEU HA A 46 LEU HDx% 1.0 . 5.44 1574 1204 A 24 LEU HDy% A 46 LEU HDy% 1.0 . 3.53 1575 1204 A 24 LEU HDy% A 46 LEU HDx% 1.0 . 3.53 1576 1205 A 25 GLU H A 25 GLU HBy 1.0 . 3.14 1577 1205 A 25 GLU H A 25 GLU HBx 1.0 . 3.14 1578 1206 A 25 GLU H A 25 GLU HGy 1.0 . 3.28 1579 1206 A 25 GLU H A 25 GLU HGx 1.0 . 3.28 1580 1207 A 25 GLU HA A 25 GLU HGy 1.0 . 3.70 1581 1207 A 25 GLU HA A 25 GLU HGx 1.0 . 3.70 1582 1208 A 26 ARG H A 25 GLU HBy 1.0 . 3.39 1583 1208 A 26 ARG H A 25 GLU HBx 1.0 . 3.39 1584 1209 A 26 ARG HGx A 25 GLU HBy 1.0 . 4.20 1585 1209 A 26 ARG HGx A 25 GLU HBx 1.0 . 4.20 1586 1210 A 26 ARG HGy A 25 GLU HBy 1.0 . 4.46 1587 1210 A 26 ARG HGy A 25 GLU HBx 1.0 . 4.46 1588 1211 A 65 TRP HD1 A 25 GLU HBy 1.0 . 4.29 1589 1211 A 65 TRP HD1 A 25 GLU HBx 1.0 . 4.29 1590 1212 A 65 TRP HE1 A 25 GLU HBy 1.0 . 4.83 1591 1212 A 65 TRP HE1 A 25 GLU HBx 1.0 . 4.83 1592 1213 A 65 TRP HD1 A 25 GLU HGy 1.0 . 4.91 1593 1213 A 65 TRP HD1 A 25 GLU HGx 1.0 . 4.91 1594 1214 A 65 TRP HE1 A 25 GLU HGy 1.0 . 5.34 1595 1214 A 65 TRP HE1 A 25 GLU HGx 1.0 . 5.34 1596 1215 A 26 ARG HBy A 48 VAL HGx% 1.0 . 4.15 1597 1215 A 26 ARG HBy A 48 VAL HGy% 1.0 . 4.15 1598 1216 A 26 ARG HDy A 48 VAL HGx% 1.0 . 4.79 1599 1216 A 26 ARG HDx A 48 VAL HGx% 1.0 . 4.79 1600 1216 A 48 VAL HGy% A 26 ARG HDx 1.0 . 4.79 1601 1216 A 26 ARG HDy A 48 VAL HGy% 1.0 . 4.79 1602 1217 A 27 VAL H A 48 VAL HGx% 1.0 . 4.50 1603 1217 A 27 VAL H A 48 VAL HGy% 1.0 . 4.50 1604 1218 A 27 VAL HGy% A 48 VAL HGx% 1.0 . 3.05 1605 1218 A 27 VAL HGy% A 48 VAL HGy% 1.0 . 3.05 1606 1219 A 28 ASN H A 48 VAL HGx% 1.0 . 3.87 1607 1219 A 28 ASN H A 48 VAL HGy% 1.0 . 3.87 1608 1220 A 28 ASN HD2y A 48 VAL HGx% 1.0 . 5.44 1609 1220 A 28 ASN HD2y A 48 VAL HGy% 1.0 . 5.44 1610 1221 A 28 ASN HD2y A 49 LYS HGy 1.0 . 5.34 1611 1221 A 28 ASN HD2y A 49 LYS HGx 1.0 . 5.34 1612 1222 A 28 ASN HD2x A 48 VAL HGx% 1.0 . 5.44 1613 1222 A 28 ASN HD2x A 48 VAL HGy% 1.0 . 5.44 1614 1223 A 29 MET H A 46 LEU HDy% 1.0 . 5.22 1615 1223 A 29 MET H A 46 LEU HDx% 1.0 . 5.22 1616 1224 A 30 CYS H A 46 LEU HDy% 1.0 . 5.44 1617 1224 A 30 CYS H A 46 LEU HDx% 1.0 . 5.44 1618 1225 A 30 CYS HA A 46 LEU HDy% 1.0 . 4.88 1619 1225 A 30 CYS HA A 46 LEU HDx% 1.0 . 4.88 1620 1226 A 30 CYS HBx A 44 VAL HGx% 1.0 . 5.21 1621 1226 A 30 CYS HBx A 44 VAL HGy% 1.0 . 5.21 1622 1227 A 30 CYS HBx A 46 LEU HDy% 1.0 . 4.59 1623 1227 A 30 CYS HBx A 46 LEU HDx% 1.0 . 4.59 1624 1228 A 30 CYS HBy A 46 LEU HDy% 1.0 . 5.44 1625 1228 A 30 CYS HBy A 46 LEU HDx% 1.0 . 5.44 1626 1229 A 31 ARG H A 31 ARG HGy 1.0 . 5.00 1627 1229 A 31 ARG H A 31 ARG HGx 1.0 . 5.00 1628 1230 A 31 ARG H A 44 VAL HGx% 1.0 . 4.19 1629 1230 A 31 ARG H A 44 VAL HGy% 1.0 . 4.19 1630 1231 A 31 ARG H A 45 ILE HG1x 1.0 . 5.34 1631 1231 A 31 ARG H A 45 ILE HG1y 1.0 . 5.34 1632 1232 A 31 ARG H A 46 LEU HDy% 1.0 . 5.44 1633 1232 A 31 ARG H A 46 LEU HDx% 1.0 . 5.44 1634 1233 A 31 ARG HA A 31 ARG HDx 1.0 . 4.67 1635 1233 A 31 ARG HA A 31 ARG HDy 1.0 . 4.67 1636 1234 A 31 ARG HBx A 31 ARG HDx 1.0 . 3.37 1637 1234 A 31 ARG HBy A 31 ARG HDx 1.0 . 3.37 1638 1234 A 31 ARG HDy A 31 ARG HBx 1.0 . 3.37 1639 1234 A 31 ARG HBy A 31 ARG HDy 1.0 . 3.37 1640 1235 A 32 ILE H A 31 ARG HGy 1.0 . 4.23 1641 1235 A 32 ILE H A 31 ARG HGx 1.0 . 4.23 1642 1236 A 33 GLN H A 31 ARG HGy 1.0 . 5.34 1643 1236 A 33 GLN H A 31 ARG HGx 1.0 . 5.34 1644 1237 A 32 ILE H A 31 ARG HDx 1.0 . 5.04 1645 1237 A 32 ILE H A 31 ARG HDy 1.0 . 5.04 1646 1238 A 45 ILE H A 31 ARG HDx 1.0 . 5.34 1647 1238 A 45 ILE H A 31 ARG HDy 1.0 . 5.34 1648 1239 A 32 ILE H A 32 ILE HG1x 1.0 . 3.63 1649 1239 A 32 ILE H A 32 ILE HG1y 1.0 . 3.63 1650 1240 A 33 GLN H A 32 ILE HG1x 1.0 . 4.86 1651 1240 A 33 GLN H A 32 ILE HG1y 1.0 . 4.86 1652 1241 A 80 CYS HBy A 32 ILE HG1x 1.0 . 4.83 1653 1241 A 80 CYS HBy A 32 ILE HG1y 1.0 . 4.83 1654 1242 A 80 CYS HBx A 32 ILE HG1x 1.0 . 4.84 1655 1242 A 80 CYS HBx A 32 ILE HG1y 1.0 . 4.84 1656 1243 A 33 GLN H A 33 GLN HGx 1.0 . 4.24 1657 1243 A 33 GLN H A 33 GLN HGy 1.0 . 4.24 1658 1244 A 33 GLN H A 44 VAL HGx% 1.0 . 5.28 1659 1244 A 33 GLN H A 44 VAL HGy% 1.0 . 5.28 1660 1245 A 33 GLN H A 45 ILE HG1x 1.0 . 4.23 1661 1245 A 33 GLN H A 45 ILE HG1y 1.0 . 4.23 1662 1246 A 33 GLN HE2y A 33 GLN HBx 1.0 . 4.36 1663 1246 A 33 GLN HBy A 33 GLN HE2y 1.0 . 4.36 1664 1246 A 33 GLN HBy A 33 GLN HE2x 1.0 . 4.36 1665 1246 A 33 GLN HE2x A 33 GLN HBx 1.0 . 4.36 1666 1247 A 41 LEU H A 33 GLN HGx 1.0 . 5.30 1667 1247 A 41 LEU H A 33 GLN HGy 1.0 . 5.30 1668 1248 A 45 ILE HD1% A 33 GLN HGx 1.0 . 5.34 1669 1248 A 45 ILE HD1% A 33 GLN HGy 1.0 . 5.34 1670 1249 A 33 GLN HE2y A 39 CYS HBy 1.0 . 4.11 1671 1249 A 39 CYS HBy A 33 GLN HE2x 1.0 . 4.11 1672 1250 A 33 GLN HE2y A 41 LEU H 1.0 . 4.16 1673 1250 A 33 GLN HE2x A 41 LEU H 1.0 . 4.16 1674 1251 A 41 LEU HBy A 33 GLN HE2y 1.0 . 3.96 1675 1251 A 33 GLN HE2y A 41 LEU HBx 1.0 . 3.96 1676 1251 A 41 LEU HBy A 33 GLN HE2x 1.0 . 3.96 1677 1251 A 33 GLN HE2x A 41 LEU HBx 1.0 . 3.96 1678 1252 A 33 GLN HE2y A 41 LEU HDx% 1.0 . 4.85 1679 1252 A 33 GLN HE2x A 41 LEU HDy% 1.0 . 4.85 1680 1252 A 33 GLN HE2x A 41 LEU HDx% 1.0 . 4.85 1681 1252 A 33 GLN HE2y A 41 LEU HDy% 1.0 . 4.85 1682 1253 A 33 GLN HE2y A 43 ALA HA 1.0 . 5.23 1683 1253 A 33 GLN HE2x A 43 ALA HA 1.0 . 5.23 1684 1254 A 34 ARG H A 34 ARG HGx 1.0 . 3.32 1685 1254 A 34 ARG H A 34 ARG HGy 1.0 . 3.32 1686 1255 A 34 ARG HA A 34 ARG HGx 1.0 . 3.66 1687 1255 A 34 ARG HA A 34 ARG HGy 1.0 . 3.66 1688 1256 A 34 ARG HBx A 34 ARG HGx 1.0 . 2.58 1689 1256 A 34 ARG HGy A 34 ARG HBx 1.0 . 2.58 1690 1257 A 35 ALA H A 34 ARG HGx 1.0 . 3.79 1691 1257 A 35 ALA H A 34 ARG HGy 1.0 . 3.79 1692 1258 A 36 ASP HBx A 34 ARG HGx 1.0 . 5.33 1693 1258 A 36 ASP HBx A 34 ARG HGy 1.0 . 5.33 1694 1259 A 36 ASP H A 37 GLY HAy 1.0 . 5.29 1695 1259 A 36 ASP H A 37 GLY HAx 1.0 . 5.29 1696 1260 A 39 CYS H A 37 GLY HAy 1.0 . 4.78 1697 1260 A 39 CYS H A 37 GLY HAx 1.0 . 4.78 1698 1261 A 40 ASP HBy A 41 LEU HDy% 1.0 . 5.22 1699 1261 A 40 ASP HBx A 41 LEU HDy% 1.0 . 5.22 1700 1261 A 41 LEU HDx% A 40 ASP HBx 1.0 . 5.22 1701 1261 A 40 ASP HBy A 41 LEU HDx% 1.0 . 5.22 1702 1262 A 41 LEU H A 41 LEU HDy% 1.0 . 4.23 1703 1262 A 41 LEU H A 41 LEU HDx% 1.0 . 4.23 1704 1263 A 41 LEU HA A 41 LEU HDy% 1.0 . 3.66 1705 1263 A 41 LEU HA A 41 LEU HDx% 1.0 . 3.66 1706 1264 A 42 ALA H A 41 LEU HDy% 1.0 . 3.82 1707 1264 A 42 ALA H A 41 LEU HDx% 1.0 . 3.82 1708 1265 A 44 VAL H A 44 VAL HGx% 1.0 . 3.44 1709 1265 A 44 VAL H A 44 VAL HGy% 1.0 . 3.44 1710 1266 A 44 VAL H A 55 VAL HGx% 1.0 . 4.65 1711 1266 A 44 VAL H A 55 VAL HGy% 1.0 . 4.65 1712 1267 A 44 VAL HA A 45 ILE HG1x 1.0 . 5.34 1713 1267 A 44 VAL HA A 45 ILE HG1y 1.0 . 5.34 1714 1268 A 45 ILE H A 44 VAL HGx% 1.0 . 3.49 1715 1268 A 45 ILE H A 44 VAL HGy% 1.0 . 3.49 1716 1269 A 45 ILE HA A 44 VAL HGx% 1.0 . 5.44 1717 1269 A 45 ILE HA A 44 VAL HGy% 1.0 . 5.44 1718 1270 A 46 LEU H A 44 VAL HGx% 1.0 . 4.54 1719 1270 A 46 LEU H A 44 VAL HGy% 1.0 . 4.54 1720 1271 A 46 LEU HG A 44 VAL HGx% 1.0 . 4.54 1721 1271 A 46 LEU HG A 44 VAL HGy% 1.0 . 4.54 1722 1272 A 57 PRO HBx A 44 VAL HGx% 1.0 . 4.68 1723 1272 A 57 PRO HBx A 44 VAL HGy% 1.0 . 4.68 1724 1273 A 57 PRO HBy A 44 VAL HGx% 1.0 . 4.22 1725 1273 A 57 PRO HBy A 44 VAL HGy% 1.0 . 4.22 1726 1274 A 57 PRO HGy A 44 VAL HGx% 1.0 . 3.93 1727 1274 A 57 PRO HGy A 44 VAL HGy% 1.0 . 3.93 1728 1275 A 58 HIS H A 44 VAL HGx% 1.0 . 5.30 1729 1275 A 58 HIS H A 44 VAL HGy% 1.0 . 5.30 1730 1276 A 65 TRP HZ3 A 44 VAL HGx% 1.0 . 5.16 1731 1276 A 65 TRP HZ3 A 44 VAL HGy% 1.0 . 5.16 1732 1277 A 45 ILE H A 45 ILE HG1x 1.0 . 3.55 1733 1277 A 45 ILE H A 45 ILE HG1y 1.0 . 3.55 1734 1278 A 45 ILE HG2% A 52 ARG HDx 1.0 . 4.28 1735 1278 A 45 ILE HG2% A 52 ARG HDy 1.0 . 4.28 1736 1279 A 45 ILE HD1% A 52 ARG HDx 1.0 . 5.09 1737 1279 A 45 ILE HD1% A 52 ARG HDy 1.0 . 5.09 1738 1280 A 46 LEU H A 46 LEU HDy% 1.0 . 4.31 1739 1280 A 46 LEU H A 46 LEU HDx% 1.0 . 4.31 1740 1281 A 46 LEU HA A 46 LEU HDy% 1.0 . 3.95 1741 1281 A 46 LEU HA A 46 LEU HDx% 1.0 . 3.95 1742 1282 A 47 HIS H A 46 LEU HDy% 1.0 . 3.91 1743 1282 A 47 HIS H A 46 LEU HDx% 1.0 . 3.91 1744 1283 A 53 ILE H A 46 LEU HDy% 1.0 . 5.08 1745 1283 A 53 ILE H A 46 LEU HDx% 1.0 . 5.08 1746 1284 A 54 CYS H A 46 LEU HDy% 1.0 . 5.44 1747 1284 A 54 CYS H A 46 LEU HDx% 1.0 . 5.44 1748 1285 A 55 VAL H A 46 LEU HDy% 1.0 . 5.44 1749 1285 A 55 VAL H A 46 LEU HDx% 1.0 . 5.44 1750 1286 A 55 VAL HB A 46 LEU HDy% 1.0 . 5.35 1751 1286 A 55 VAL HB A 46 LEU HDx% 1.0 . 5.35 1752 1287 A 65 TRP HZ3 A 46 LEU HDy% 1.0 . 3.70 1753 1287 A 65 TRP HZ3 A 46 LEU HDx% 1.0 . 3.70 1754 1288 A 65 TRP HZ2 A 46 LEU HDy% 1.0 . 4.21 1755 1288 A 65 TRP HZ2 A 46 LEU HDx% 1.0 . 4.21 1756 1289 A 65 TRP HH2 A 46 LEU HDy% 1.0 . 3.45 1757 1289 A 65 TRP HH2 A 46 LEU HDx% 1.0 . 3.45 1758 1290 A 47 HIS HA A 48 VAL HGx% 1.0 . 4.78 1759 1290 A 47 HIS HA A 48 VAL HGy% 1.0 . 4.78 1760 1291 A 47 HIS HE1 A 52 ARG HDx 1.0 . 3.43 1761 1291 A 47 HIS HE1 A 52 ARG HDy 1.0 . 3.43 1762 1292 A 48 VAL H A 48 VAL HGx% 1.0 . 3.53 1763 1292 A 48 VAL H A 48 VAL HGy% 1.0 . 3.53 1764 1293 A 49 LYS H A 48 VAL HGx% 1.0 . 3.69 1765 1293 A 49 LYS H A 48 VAL HGy% 1.0 . 3.69 1766 1294 A 49 LYS HBy A 48 VAL HGx% 1.0 . 3.53 1767 1294 A 49 LYS HBy A 48 VAL HGy% 1.0 . 3.53 1768 1295 A 49 LYS HBx A 48 VAL HGx% 1.0 . 5.11 1769 1295 A 49 LYS HBx A 48 VAL HGy% 1.0 . 5.11 1770 1296 A 48 VAL HGy% A 49 LYS HGy 1.0 . 3.83 1771 1296 A 49 LYS HGx A 48 VAL HGx% 1.0 . 3.83 1772 1296 A 48 VAL HGy% A 49 LYS HGx 1.0 . 3.83 1773 1296 A 48 VAL HGx% A 49 LYS HGy 1.0 . 3.83 1774 1297 A 48 VAL HGx% A 52 ARG HBx 1.0 . 4.84 1775 1297 A 52 ARG HBy A 48 VAL HGx% 1.0 . 4.84 1776 1297 A 52 ARG HBy A 48 VAL HGy% 1.0 . 4.84 1777 1297 A 48 VAL HGy% A 52 ARG HBx 1.0 . 4.84 1778 1298 A 53 ILE H A 48 VAL HGx% 1.0 . 3.79 1779 1298 A 53 ILE H A 48 VAL HGy% 1.0 . 3.79 1780 1299 A 49 LYS H A 49 LYS HGy 1.0 . 4.00 1781 1299 A 49 LYS H A 49 LYS HGx 1.0 . 4.00 1782 1300 A 49 LYS HA A 49 LYS HGy 1.0 . 3.73 1783 1300 A 49 LYS HA A 49 LYS HGx 1.0 . 3.73 1784 1301 A 50 ARG H A 50 ARG HGx 1.0 . 3.93 1785 1301 A 50 ARG H A 50 ARG HGy 1.0 . 3.93 1786 1302 A 50 ARG HA A 50 ARG HGx 1.0 . 3.56 1787 1302 A 50 ARG HA A 50 ARG HGy 1.0 . 3.56 1788 1303 A 50 ARG HBx A 50 ARG HDx 1.0 . 3.38 1789 1303 A 50 ARG HBy A 50 ARG HDx 1.0 . 3.38 1790 1303 A 50 ARG HDy A 50 ARG HBy 1.0 . 3.38 1791 1303 A 50 ARG HDy A 50 ARG HBx 1.0 . 3.38 1792 1304 A 51 ARG H A 50 ARG HBy 1.0 . 4.02 1793 1304 A 51 ARG H A 50 ARG HBx 1.0 . 4.02 1794 1305 A 51 ARG H A 50 ARG HGx 1.0 . 3.78 1795 1305 A 51 ARG H A 50 ARG HGy 1.0 . 3.78 1796 1306 A 53 ILE H A 52 ARG HDx 1.0 . 5.34 1797 1306 A 53 ILE H A 52 ARG HDy 1.0 . 5.34 1798 1307 A 53 ILE H A 53 ILE HG1y 1.0 . 3.77 1799 1307 A 53 ILE H A 53 ILE HG1x 1.0 . 3.77 1800 1308 A 53 ILE HA A 53 ILE HG1y 1.0 . 3.19 1801 1308 A 53 ILE HA A 53 ILE HG1x 1.0 . 3.19 1802 1309 A 54 CYS H A 53 ILE HG1y 1.0 . 4.14 1803 1309 A 54 CYS H A 53 ILE HG1x 1.0 . 4.14 1804 1310 A 54 CYS HA A 55 VAL HGx% 1.0 . 4.75 1805 1310 A 54 CYS HA A 55 VAL HGy% 1.0 . 4.75 1806 1311 A 54 CYS HBx A 55 VAL HGx% 1.0 . 5.44 1807 1311 A 54 CYS HBx A 55 VAL HGy% 1.0 . 5.44 1808 1312 A 55 VAL H A 55 VAL HGx% 1.0 . 3.47 1809 1312 A 55 VAL H A 55 VAL HGy% 1.0 . 3.47 1810 1313 A 56 SER H A 55 VAL HGx% 1.0 . 3.60 1811 1313 A 56 SER H A 55 VAL HGy% 1.0 . 3.60 1812 1314 A 58 HIS HBx A 56 SER HBx 1.0 . 4.63 1813 1314 A 58 HIS HBx A 56 SER HBy 1.0 . 4.63 1814 1315 A 58 HIS HBy A 56 SER HBx 1.0 . 5.34 1815 1315 A 58 HIS HBy A 56 SER HBy 1.0 . 5.34 1816 1316 A 59 ASN HD2x A 59 ASN HBy 1.0 . 3.22 1817 1316 A 59 ASN HD2y A 59 ASN HBy 1.0 . 3.22 1818 1316 A 59 ASN HD2y A 59 ASN HBx 1.0 . 3.22 1819 1316 A 59 ASN HD2x A 59 ASN HBx 1.0 . 3.22 1820 1317 A 62 VAL HB A 59 ASN HBx 1.0 . 4.51 1821 1317 A 62 VAL HB A 59 ASN HBy 1.0 . 4.51 1822 1318 A 62 VAL HGx% A 59 ASN HBx 1.0 . 5.34 1823 1318 A 62 VAL HGx% A 59 ASN HBy 1.0 . 5.34 1824 1319 A 62 VAL HGy% A 59 ASN HBx 1.0 . 4.61 1825 1319 A 62 VAL HGy% A 59 ASN HBy 1.0 . 4.61 1826 1320 A 59 ASN HD2y A 60 HIS H 1.0 . 5.34 1827 1320 A 59 ASN HD2x A 60 HIS H 1.0 . 5.34 1828 1321 A 61 THR H A 59 ASN HD2y 1.0 . 4.70 1829 1321 A 59 ASN HD2x A 61 THR H 1.0 . 4.70 1830 1322 A 61 THR HB A 59 ASN HD2y 1.0 . 4.85 1831 1322 A 61 THR HB A 59 ASN HD2x 1.0 . 4.85 1832 1323 A 62 VAL H A 59 ASN HD2y 1.0 . 4.60 1833 1323 A 59 ASN HD2x A 62 VAL H 1.0 . 4.60 1834 1324 A 60 HIS HD2 A 60 HIS HBy 1.0 . 3.24 1835 1324 A 60 HIS HD2 A 60 HIS HBx 1.0 . 3.24 1836 1325 A 61 THR H A 60 HIS HBy 1.0 . 3.68 1837 1325 A 61 THR H A 60 HIS HBx 1.0 . 3.68 1838 1326 A 62 VAL H A 60 HIS HBy 1.0 . 5.23 1839 1326 A 62 VAL H A 60 HIS HBx 1.0 . 5.23 1840 1327 A 60 HIS HD2 A 64 GLN HGx 1.0 . 4.56 1841 1327 A 60 HIS HD2 A 64 GLN HGy 1.0 . 4.56 1842 1328 A 61 THR HA A 64 GLN HGx 1.0 . 5.34 1843 1328 A 61 THR HA A 64 GLN HGy 1.0 . 5.34 1844 1329 A 62 VAL HGx% A 66 MET HGx 1.0 . 4.33 1845 1329 A 62 VAL HGx% A 66 MET HGy 1.0 . 4.33 1846 1330 A 64 GLN HE2y A 64 GLN HA 1.0 . 5.34 1847 1330 A 64 GLN HA A 64 GLN HE2x 1.0 . 5.34 1848 1331 A 65 TRP H A 64 GLN HGx 1.0 . 4.50 1849 1331 A 65 TRP H A 64 GLN HGy 1.0 . 4.50 1850 1332 A 64 GLN HGy A 68 VAL HGx% 1.0 . 4.53 1851 1332 A 64 GLN HGx A 68 VAL HGx% 1.0 . 4.53 1852 1332 A 68 VAL HGy% A 64 GLN HGx 1.0 . 4.53 1853 1332 A 64 GLN HGy A 68 VAL HGy% 1.0 . 4.53 1854 1333 A 65 TRP H A 64 GLN HE2y 1.0 . 5.04 1855 1333 A 65 TRP H A 64 GLN HE2x 1.0 . 5.04 1856 1334 A 64 GLN HE2y A 67 LYS HGy 1.0 . 5.07 1857 1334 A 64 GLN HE2x A 67 LYS HGx 1.0 . 5.07 1858 1334 A 64 GLN HE2x A 67 LYS HGy 1.0 . 5.07 1859 1334 A 64 GLN HE2y A 67 LYS HGx 1.0 . 5.07 1860 1335 A 64 GLN HE2x A 67 LYS HDx 1.0 . 4.79 1861 1335 A 67 LYS HDy A 64 GLN HE2y 1.0 . 4.79 1862 1335 A 67 LYS HDy A 64 GLN HE2x 1.0 . 4.79 1863 1335 A 64 GLN HE2y A 67 LYS HDx 1.0 . 4.79 1864 1336 A 64 GLN HE2y A 68 VAL H 1.0 . 5.32 1865 1336 A 68 VAL H A 64 GLN HE2x 1.0 . 5.32 1866 1337 A 68 VAL HA A 64 GLN HE2y 1.0 . 5.15 1867 1337 A 68 VAL HA A 64 GLN HE2x 1.0 . 5.15 1868 1338 A 64 GLN HE2y A 68 VAL HGy% 1.0 . 4.18 1869 1338 A 64 GLN HE2x A 68 VAL HGx% 1.0 . 4.18 1870 1338 A 64 GLN HE2x A 68 VAL HGy% 1.0 . 4.18 1871 1338 A 64 GLN HE2y A 68 VAL HGx% 1.0 . 4.18 1872 1339 A 65 TRP HA A 68 VAL HGx% 1.0 . 4.53 1873 1339 A 65 TRP HA A 68 VAL HGy% 1.0 . 4.53 1874 1340 A 65 TRP HBx A 68 VAL HGx% 1.0 . 5.44 1875 1340 A 65 TRP HBx A 68 VAL HGy% 1.0 . 5.44 1876 1341 A 65 TRP HE3 A 66 MET HGx 1.0 . 3.27 1877 1341 A 65 TRP HE3 A 66 MET HGy 1.0 . 3.27 1878 1342 A 65 TRP HZ3 A 66 MET HGx 1.0 . 4.02 1879 1342 A 65 TRP HZ3 A 66 MET HGy 1.0 . 4.02 1880 1343 A 66 MET H A 66 MET HGx 1.0 . 3.33 1881 1343 A 66 MET H A 66 MET HGy 1.0 . 3.33 1882 1344 A 67 LYS H A 66 MET HGx 1.0 . 4.53 1883 1344 A 67 LYS H A 66 MET HGy 1.0 . 4.53 1884 1345 A 80 CYS H A 66 MET HGx 1.0 . 5.34 1885 1345 A 80 CYS H A 66 MET HGy 1.0 . 5.34 1886 1346 A 67 LYS H A 67 LYS HGx 1.0 . 3.77 1887 1346 A 67 LYS H A 67 LYS HGy 1.0 . 3.77 1888 1347 A 67 LYS HA A 67 LYS HGx 1.0 . 3.58 1889 1347 A 67 LYS HA A 67 LYS HGy 1.0 . 3.58 1890 1348 A 68 VAL H A 67 LYS HGx 1.0 . 5.34 1891 1348 A 68 VAL H A 67 LYS HGy 1.0 . 5.34 1892 1349 A 68 VAL H A 68 VAL HGx% 1.0 . 3.26 1893 1349 A 68 VAL H A 68 VAL HGy% 1.0 . 3.26 1894 1350 A 69 GLN H A 68 VAL HGx% 1.0 . 4.08 1895 1350 A 69 GLN H A 68 VAL HGy% 1.0 . 4.08 1896 1351 A 69 GLN HA A 68 VAL HGx% 1.0 . 5.44 1897 1351 A 69 GLN HA A 68 VAL HGy% 1.0 . 5.44 1898 1352 A 69 GLN HGy A 68 VAL HGx% 1.0 . 4.98 1899 1352 A 69 GLN HGy A 68 VAL HGy% 1.0 . 4.98 1900 1353 A 69 GLN HE2x A 68 VAL HGx% 1.0 . 5.41 1901 1353 A 69 GLN HE2x A 68 VAL HGy% 1.0 . 5.41 1902 1354 A 69 GLN HE2y A 68 VAL HGx% 1.0 . 5.28 1903 1354 A 69 GLN HE2y A 68 VAL HGy% 1.0 . 5.28 1904 1355 A 71 ALA H A 68 VAL HGx% 1.0 . 5.44 1905 1355 A 71 ALA H A 68 VAL HGy% 1.0 . 5.44 1906 1356 A 68 VAL HGy% A 72 LYS HEx 1.0 . 4.50 1907 1356 A 68 VAL HGx% A 72 LYS HEx 1.0 . 4.50 1908 1356 A 72 LYS HEy A 68 VAL HGx% 1.0 . 4.50 1909 1356 A 72 LYS HEy A 68 VAL HGy% 1.0 . 4.50 1910 1357 A 74 ASN HD2y A 72 LYS HBx 1.0 . 5.34 1911 1357 A 72 LYS HBy A 74 ASN HD2x 1.0 . 5.34 1912 1357 A 74 ASN HD2x A 72 LYS HBx 1.0 . 5.34 1913 1357 A 72 LYS HBy A 74 ASN HD2y 1.0 . 5.34 1914 1358 A 73 LYS HBx A 73 LYS HDx 1.0 . 2.62 1915 1358 A 73 LYS HBy A 73 LYS HDx 1.0 . 2.62 1916 1358 A 73 LYS HDy A 73 LYS HBx 1.0 . 2.62 1917 1358 A 73 LYS HDy A 73 LYS HBy 1.0 . 2.62 1918 1359 A 74 ASN HD2y A 75 GLY HAx 1.0 . 5.18 1919 1359 A 74 ASN HD2x A 75 GLY HAx 1.0 . 5.18 1920 1359 A 74 ASN HD2x A 75 GLY HAy 1.0 . 5.18 1921 1359 A 74 ASN HD2y A 75 GLY HAy 1.0 . 5.18 1922 1360 A 76 LYS HBy A 76 LYS HDx 1.0 . 3.65 1923 1360 A 76 LYS HBx A 76 LYS HDx 1.0 . 3.65 1924 1360 A 76 LYS HDy A 76 LYS HBy 1.0 . 3.65 1925 1360 A 76 LYS HDy A 76 LYS HBx 1.0 . 3.65 1926 1361 A 76 LYS HBy A 76 LYS HEx 1.0 . 3.16 1927 1361 A 76 LYS HBx A 76 LYS HEx 1.0 . 3.16 1928 1361 A 76 LYS HEy A 76 LYS HBy 1.0 . 3.16 1929 1361 A 76 LYS HEy A 76 LYS HBx 1.0 . 3.16 1930 1362 A 77 GLY H A 76 LYS HBy 1.0 . 4.29 1931 1362 A 77 GLY H A 76 LYS HBx 1.0 . 4.29 1932 1363 A 76 LYS HBy A 77 GLY HAy 1.0 . 5.11 1933 1363 A 76 LYS HBx A 77 GLY HAy 1.0 . 5.11 1934 1363 A 77 GLY HAx A 76 LYS HBy 1.0 . 5.11 1935 1363 A 76 LYS HBx A 77 GLY HAx 1.0 . 5.11 1936 1364 A 79 VAL HB A 76 LYS HBy 1.0 . 3.12 1937 1364 A 79 VAL HB A 76 LYS HBx 1.0 . 3.12 1938 1365 A 81 HIS H A 81 HIS HBx 1.0 . 3.66 1939 1365 A 81 HIS H A 81 HIS HBy 1.0 . 3.66 1940 1366 A 81 HIS HD2 A 81 HIS HBx 1.0 . 3.12 1941 1366 A 81 HIS HD2 A 81 HIS HBy 1.0 . 3.12 1942 1367 A 83 LYS HBx A 83 LYS HEx 1.0 . 4.63 1943 1367 A 83 LYS HBy A 83 LYS HEx 1.0 . 4.63 1944 1367 A 83 LYS HEy A 83 LYS HBx 1.0 . 4.63 1945 1367 A 83 LYS HEy A 83 LYS HBy 1.0 . 4.63 1946 1368 A 84 LYS H A 83 LYS HBx 1.0 . 4.19 1947 1368 A 84 LYS H A 83 LYS HBy 1.0 . 4.19 1948 1369 A 85 HIS HD2 A 85 HIS HBx 1.0 . 2.99 1949 1369 A 85 HIS HD2 A 85 HIS HBy 1.0 . 2.99 1950 1370 A 105 LYS HBx A 105 LYS HDx 1.0 . 3.42 1951 1370 A 105 LYS HBy A 105 LYS HDx 1.0 . 3.42 1952 1370 A 105 LYS HDy A 105 LYS HBy 1.0 . 3.42 1953 1370 A 105 LYS HBx A 105 LYS HDy 1.0 . 3.42 1954 1371 A 105 LYS HBx A 105 LYS HEx 1.0 . 5.29 1955 1371 A 105 LYS HBy A 105 LYS HEx 1.0 . 5.29 1956 1371 A 105 LYS HEy A 105 LYS HBy 1.0 . 5.29 1957 1371 A 105 LYS HBx A 105 LYS HEy 1.0 . 5.29 1958 1372 A 108 TYR H A 107 PRO HGx 1.0 . 4.64 1959 1372 A 107 PRO HGy A 108 TYR H 1.0 . 4.64 1960 1373 A 108 TYR HD% A 107 PRO HGx 1.0 . 4.47 1961 1373 A 108 TYR HD% A 107 PRO HGy 1.0 . 4.47 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _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 11 CYS SG A 39 CYS SG 1.0 . 2.1 2 2 A 11 CYS SG A 39 CYS CB 1.0 . 3.1 3 3 A 39 CYS SG A 11 CYS CB 1.0 . 3.1 4 4 A 12 CYS SG A 54 CYS SG 1.0 . 2.1 5 5 A 12 CYS SG A 54 CYS CB 1.0 . 3.1 6 6 A 54 CYS SG A 12 CYS CB 1.0 . 3.1 7 7 A 30 CYS SG A 80 CYS SG 1.0 . 2.1 8 8 A 30 CYS SG A 80 CYS CB 1.0 . 3.1 9 9 A 80 CYS SG A 30 CYS CB 1.0 . 3.1 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 10 SER C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -142.0 -96.0 PHI 2 2 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 CYS N 1.0 128.0 160.0 PSI 3 3 A 13 THR C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -148.0 -100.0 PHI 4 4 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 VAL N 1.0 147.0 167.0 PSI 5 5 A 14 GLU C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -151.0 -123.0 PHI 6 6 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 SER N 1.0 139.0 163.0 PSI 7 7 A 15 VAL C A 16 SER N A 16 SER CA A 16 SER C 1.0 -111.0 -83.0 PHI 8 8 A 16 SER N A 16 SER CA A 16 SER C A 17 HIS N 1.0 -31.0 5.0 PSI 9 9 A 17 HIS C A 18 HIS N A 18 HIS CA A 18 HIS C 1.0 -145.0 -97.0 PHI 10 10 A 18 HIS N A 18 HIS CA A 18 HIS C A 19 ILE N 1.0 119.0 171.0 PSI 11 11 A 18 HIS C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -148.0 -116.0 PHI 12 12 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 SER N 1.0 136.0 160.0 PSI 13 13 A 19 ILE C A 20 SER N A 20 SER CA A 20 SER C 1.0 -109.0 -59.0 PHI 14 14 A 20 SER N A 20 SER CA A 20 SER C A 21 ARG N 1.0 146.0 166.0 PSI 15 15 A 20 SER C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -68.0 -48.0 PHI 16 16 A 21 ARG N A 21 ARG CA A 21 ARG C A 22 ARG N 1.0 -51.0 -31.0 PSI 17 17 A 21 ARG C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -71.0 -51.0 PHI 18 18 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 LEU N 1.0 -49.0 -29.0 PSI 19 19 A 22 ARG C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -76.0 -56.0 PHI 20 20 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 LEU N 1.0 -54.0 -34.0 PSI 21 21 A 23 LEU C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -72.0 -52.0 PHI 22 22 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 GLU N 1.0 -50.0 -30.0 PSI 23 23 A 24 LEU C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -85.0 -55.0 PHI 24 24 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 ARG N 1.0 -42.0 -12.0 PSI 25 25 A 25 GLU C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -108.0 -86.0 PHI 26 26 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 VAL N 1.0 -22.0 4.0 PSI 27 27 A 26 ARG C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -127.0 -67.0 PHI 28 28 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 ASN N 1.0 108.0 160.0 PSI 29 29 A 27 VAL C A 28 ASN N A 28 ASN CA A 28 ASN C 1.0 -107.0 -81.0 PHI 30 30 A 28 ASN N A 28 ASN CA A 28 ASN C A 29 MET N 1.0 -39.0 -19.0 PSI 31 31 A 28 ASN C A 29 MET N A 29 MET CA A 29 MET C 1.0 -129.0 -65.0 PHI 32 32 A 29 MET N A 29 MET CA A 29 MET C A 30 CYS N 1.0 132.0 158.0 PSI 33 33 A 29 MET C A 30 CYS N A 30 CYS CA A 30 CYS C 1.0 -141.0 -109.0 PHI 34 34 A 30 CYS N A 30 CYS CA A 30 CYS C A 31 ARG N 1.0 119.0 155.0 PSI 35 35 A 30 CYS C A 31 ARG N A 31 ARG CA A 31 ARG C 1.0 -138.0 -106.0 PHI 36 36 A 31 ARG N A 31 ARG CA A 31 ARG C A 32 ILE N 1.0 115.0 145.0 PSI 37 37 A 31 ARG C A 32 ILE N A 32 ILE CA A 32 ILE C 1.0 -125.0 -95.0 PHI 38 38 A 32 ILE N A 32 ILE CA A 32 ILE C A 33 GLN N 1.0 108.0 132.0 PSI 39 39 A 32 ILE C A 33 GLN N A 33 GLN CA A 33 GLN C 1.0 -129.0 -89.0 PHI 40 40 A 33 GLN N A 33 GLN CA A 33 GLN C A 34 ARG N 1.0 119.0 151.0 PSI 41 41 A 33 GLN C A 34 ARG N A 34 ARG CA A 34 ARG C 1.0 -124.0 -78.0 PHI 42 42 A 34 ARG N A 34 ARG CA A 34 ARG C A 35 ALA N 1.0 126.0 158.0 PSI 43 43 A 34 ARG C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -96.0 -72.0 PHI 44 44 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 ASP N 1.0 98.0 152.0 PSI 45 45 A 40 ASP C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -164.0 -102.0 PHI 46 46 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 ALA N 1.0 127.0 159.0 PSI 47 47 A 41 LEU C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -128.0 -86.0 PHI 48 48 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 ALA N 1.0 120.0 154.0 PSI 49 49 A 42 ALA C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -149.0 -123.0 PHI 50 50 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 VAL N 1.0 132.0 158.0 PSI 51 51 A 43 ALA C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -131.0 -89.0 PHI 52 52 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 ILE N 1.0 112.0 132.0 PSI 53 53 A 44 VAL C A 45 ILE N A 45 ILE CA A 45 ILE C 1.0 -119.0 -89.0 PHI 54 54 A 45 ILE N A 45 ILE CA A 45 ILE C A 46 LEU N 1.0 117.0 141.0 PSI 55 55 A 45 ILE C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -122.0 -86.0 PHI 56 56 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 HIS N 1.0 116.0 150.0 PSI 57 57 A 46 LEU C A 47 HIS N A 47 HIS CA A 47 HIS C 1.0 -118.0 -70.0 PHI 58 58 A 47 HIS N A 47 HIS CA A 47 HIS C A 48 VAL N 1.0 125.0 155.0 PSI 59 59 A 47 HIS C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -132.0 -88.0 PHI 60 60 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 LYS N 1.0 115.0 151.0 PSI 61 61 A 48 VAL C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -69.0 -49.0 PHI 62 62 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 ARG N 1.0 -37.0 -17.0 PSI 63 63 A 49 LYS C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -105.0 -73.0 PHI 64 64 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 ARG N 1.0 -31.0 7.0 PSI 65 65 A 51 ARG C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -116.0 -82.0 PHI 66 66 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 ILE N 1.0 103.0 143.0 PSI 67 67 A 52 ARG C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -127.0 -97.0 PHI 68 68 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 CYS N 1.0 112.0 160.0 PSI 69 69 A 53 ILE C A 54 CYS N A 54 CYS CA A 54 CYS C 1.0 -129.0 -105.0 PHI 70 70 A 54 CYS N A 54 CYS CA A 54 CYS C A 55 VAL N 1.0 103.0 159.0 PSI 71 71 A 54 CYS C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -147.0 -105.0 PHI 72 72 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 SER N 1.0 127.0 171.0 PSI 73 73 A 55 VAL C A 56 SER N A 56 SER CA A 56 SER C 1.0 -135.0 -73.0 PHI 74 74 A 56 SER N A 56 SER CA A 56 SER C A 57 PRO N 1.0 111.0 153.0 PSI 75 75 A 57 PRO N A 57 PRO CA A 57 PRO C A 58 HIS N 1.0 -35.0 -5.0 PSI 76 76 A 57 PRO C A 58 HIS N A 58 HIS CA A 58 HIS C 1.0 -99.0 -77.0 PHI 77 77 A 58 HIS N A 58 HIS CA A 58 HIS C A 59 ASN N 1.0 -20.0 10.0 PSI 78 78 A 59 ASN C A 60 HIS N A 60 HIS CA A 60 HIS C 1.0 -72.0 -52.0 PHI 79 79 A 60 HIS N A 60 HIS CA A 60 HIS C A 61 THR N 1.0 -54.0 -34.0 PSI 80 80 A 60 HIS C A 61 THR N A 61 THR CA A 61 THR C 1.0 -73.0 -53.0 PHI 81 81 A 61 THR N A 61 THR CA A 61 THR C A 62 VAL N 1.0 -52.0 -32.0 PSI 82 82 A 61 THR C A 62 VAL N A 62 VAL CA A 62 VAL C 1.0 -73.0 -53.0 PHI 83 83 A 62 VAL N A 62 VAL CA A 62 VAL C A 63 LYS N 1.0 -57.0 -37.0 PSI 84 84 A 62 VAL C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -68.0 -48.0 PHI 85 85 A 63 LYS N A 63 LYS CA A 63 LYS C A 64 GLN N 1.0 -53.0 -33.0 PSI 86 86 A 63 LYS C A 64 GLN N A 64 GLN CA A 64 GLN C 1.0 -75.0 -55.0 PHI 87 87 A 64 GLN N A 64 GLN CA A 64 GLN C A 65 TRP N 1.0 -55.0 -35.0 PSI 88 88 A 64 GLN C A 65 TRP N A 65 TRP CA A 65 TRP C 1.0 -72.0 -52.0 PHI 89 89 A 65 TRP N A 65 TRP CA A 65 TRP C A 66 MET N 1.0 -52.0 -32.0 PSI 90 90 A 65 TRP C A 66 MET N A 66 MET CA A 66 MET C 1.0 -73.0 -53.0 PHI 91 91 A 66 MET N A 66 MET CA A 66 MET C A 67 LYS N 1.0 -52.0 -32.0 PSI 92 92 A 66 MET C A 67 LYS N A 67 LYS CA A 67 LYS C 1.0 -74.0 -54.0 PHI 93 93 A 67 LYS N A 67 LYS CA A 67 LYS C A 68 VAL N 1.0 -55.0 -35.0 PSI 94 94 A 67 LYS C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -78.0 -56.0 PHI 95 95 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 GLN N 1.0 -53.0 -33.0 PSI 96 96 A 68 VAL C A 69 GLN N A 69 GLN CA A 69 GLN C 1.0 -72.0 -52.0 PHI 97 97 A 69 GLN N A 69 GLN CA A 69 GLN C A 70 ALA N 1.0 -47.0 -25.0 PSI 98 98 A 69 GLN C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -73.0 -53.0 PHI 99 99 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 ALA N 1.0 -45.0 -25.0 PSI 100 100 A 70 ALA C A 71 ALA N A 71 ALA CA A 71 ALA C 1.0 -100.0 -62.0 PHI 101 101 A 71 ALA N A 71 ALA CA A 71 ALA C A 72 LYS N 1.0 -41.0 -5.0 PSI 102 102 A 78 ASN C A 79 VAL N A 79 VAL CA A 79 VAL C 1.0 -119.0 -69.0 PHI 103 103 A 79 VAL N A 79 VAL CA A 79 VAL C A 80 CYS N 1.0 124.0 170.0 PSI 104 104 A 85 HIS C A 86 HIS N A 86 HIS CA A 86 HIS C 1.0 -99.0 -75.0 PHI 105 105 A 86 HIS N A 86 HIS CA A 86 HIS C A 87 GLY N 1.0 -43.0 3.0 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 16.662973 . . . . 2 ppm . . 11.902123 . . . . 3 ppm . . 41.415689 . 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.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 8.331487 . . . . 2 ppm . . 11.902123 . . . . 3 ppm . . 33.131673 . . . . stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 8.331487 . . . . 2 ppm . . 11.902123 . . . . 3 ppm . . 32.885002 . aliased . . stop_ save_