data_nef_c18966_2m3k save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 52 CYS SG 1 101 CYS SG 1 94 CYS SG 1 115 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 ILE start . . 2 A 2 SER middle . . 3 A 3 GLU middle . . 4 A 4 PHE middle . . 5 A 5 GLU middle . . 6 A 6 LYS middle . . 7 A 7 ALA middle . . 8 A 8 LYS middle . . 9 A 9 ILE middle . . 10 A 10 ASN middle . . 11 A 11 ALA middle . . 12 A 12 VAL middle . . 13 A 13 ARG middle . . 14 A 14 ALA middle . . 15 A 15 ALA middle . . 16 A 16 LEU middle . . 17 A 17 LEU middle . . 18 A 18 GLU middle . . 19 A 19 ASN middle . . 20 A 20 ALA middle . . 21 A 21 HIS middle . . 22 A 22 PHE middle . . 23 A 23 MET middle . . 24 A 24 GLU middle . . 25 A 25 LYS middle . . 26 A 26 PHE middle . . 27 A 27 TYR middle . . 28 A 28 LEU middle . . 29 A 29 GLN middle . . 30 A 30 ASN middle . . 31 A 31 GLY middle . false 32 A 32 ARG middle . . 33 A 33 PHE middle . . 34 A 34 LYS middle . . 35 A 35 GLN middle . . 36 A 36 THR middle . . 37 A 37 SER middle . . 38 A 38 THR middle . . 39 A 39 LYS middle . . 40 A 40 TRP middle . . 41 A 41 PRO middle . false 42 A 42 SER middle . . 43 A 43 LEU middle . . 44 A 44 PRO middle . false 45 A 45 ILE middle . . 46 A 46 LYS middle . . 47 A 47 GLU middle . . 48 A 48 ALA middle . . 49 A 49 GLU middle . . 50 A 50 GLY middle . false 51 A 51 PHE middle . . 52 A 52 CYS middle -HG . 53 A 53 ILE middle . . 54 A 54 ARG middle . . 55 A 55 LEU middle . . 56 A 56 ASN middle . . 57 A 57 GLY middle . false 58 A 58 ILE middle . . 59 A 59 ALA middle . . 60 A 60 ARG middle . . 61 A 61 GLY middle . false 62 A 62 ALA middle . . 63 A 63 LEU middle . . 64 A 64 ASP middle . . 65 A 65 SER middle . . 66 A 66 LYS middle . . 67 A 67 PHE middle . . 68 A 68 MET middle . . 69 A 69 LEU middle . . 70 A 70 LYS middle . . 71 A 71 ALA middle . . 72 A 72 VAL middle . . 73 A 73 ALA middle . . 74 A 74 ILE middle . . 75 A 75 ASP middle . . 76 A 76 LYS middle . . 77 A 77 ASP middle . . 78 A 78 LYS middle . . 79 A 79 ASN middle . . 80 A 80 PRO middle . false 81 A 81 PHE middle . . 82 A 82 ILE middle . . 83 A 83 ILE middle . . 84 A 84 LYS middle . . 85 A 85 MET middle . . 86 A 86 ASN middle . . 87 A 87 GLU middle . . 88 A 88 ASN middle . . 89 A 89 LEU middle . . 90 A 90 VAL middle . . 91 A 91 THR middle . . 92 A 92 PHE middle . . 93 A 93 ILE middle . . 94 A 94 CYS middle -HG . 95 A 95 LYS middle . . 96 A 96 LYS middle . . 97 A 97 SER middle . . 98 A 98 ALA middle . . 99 A 99 SER middle . . 100 A 100 SER middle . . 101 A 101 CYS middle -HG . 102 A 102 SER middle . . 103 A 103 ASP middle . . 104 A 104 GLY middle . false 105 A 105 LEU middle . . 106 A 106 ASP middle . . 107 A 107 TYR middle . . 108 A 108 PHE middle . . 109 A 109 LYS middle . . 110 A 110 GLY middle . false 111 A 111 ASN middle . . 112 A 112 ASP middle . . 113 A 113 LYS middle . . 114 A 114 ASP middle . . 115 A 115 CYS middle -HG . 116 A 116 LYS middle . . 117 A 117 LEU middle . . 118 A 118 PHE middle . . 119 A 119 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 SER HA H 1 4.663 0.000 A 3 GLU HA H 1 4.075 0.000 A 3 GLU HBx H 1 2.007 0.000 A 3 GLU HBy H 1 2.007 0.000 A 3 GLU HGx H 1 2.320 0.000 A 3 GLU HGy H 1 2.320 0.000 A 3 GLU C C 13 178.915 0.000 A 3 GLU CA C 13 59.945 0.000 A 3 GLU CB C 13 29.360 0.000 A 3 GLU CG C 13 36.172 0.000 A 4 PHE H H 1 8.106 0.000 A 4 PHE HA H 1 4.475 0.000 A 4 PHE HBx H 1 3.106 0.000 A 4 PHE HBy H 1 3.138 0.000 A 4 PHE HDx H 1 7.310 0.000 A 4 PHE HDy H 1 7.310 0.000 A 4 PHE HEx H 1 7.046 0.000 A 4 PHE HEy H 1 7.046 0.000 A 4 PHE HZ H 1 6.809 0.000 A 4 PHE C C 13 178.124 0.000 A 4 PHE CA C 13 60.166 0.000 A 4 PHE CB C 13 39.236 0.000 A 4 PHE CDx C 13 131.677 0.000 A 4 PHE CDy C 13 131.677 0.000 A 4 PHE CEx C 13 129.490 0.000 A 4 PHE CEy C 13 129.490 0.000 A 4 PHE CZ C 13 130.583 0.000 A 4 PHE N N 15 119.447 0.000 A 5 GLU H H 1 7.893 0.000 A 5 GLU HA H 1 4.036 0.000 A 5 GLU HBx H 1 1.885 0.000 A 5 GLU HBy H 1 2.315 0.000 A 5 GLU HGx H 1 2.422 0.000 A 5 GLU HGy H 1 2.422 0.000 A 5 GLU C C 13 178.285 0.000 A 5 GLU CA C 13 59.429 0.000 A 5 GLU CB C 13 30.171 0.000 A 5 GLU CG C 13 37.425 0.000 A 5 GLU N N 15 120.904 0.000 A 6 LYS H H 1 8.502 0.000 A 6 LYS HA H 1 3.771 0.000 A 6 LYS HBx H 1 1.918 0.000 A 6 LYS HBy H 1 1.918 0.000 A 6 LYS HDx H 1 1.735 0.000 A 6 LYS HDy H 1 1.735 0.000 A 6 LYS HEx H 1 2.905 0.000 A 6 LYS HEy H 1 2.905 0.000 A 6 LYS HGx H 1 1.428 0.000 A 6 LYS HGy H 1 1.598 0.000 A 6 LYS C C 13 177.824 0.000 A 6 LYS CA C 13 60.755 0.000 A 6 LYS CB C 13 32.603 0.000 A 6 LYS CD C 13 29.436 0.000 A 6 LYS CE C 13 41.907 0.000 A 6 LYS CG C 13 25.885 0.000 A 6 LYS N N 15 119.956 0.000 A 7 ALA H H 1 7.929 0.000 A 7 ALA HA H 1 4.201 0.000 A 7 ALA HB% H 1 1.537 0.000 A 7 ALA C C 13 180.808 0.000 A 7 ALA CA C 13 55.891 0.000 A 7 ALA CB C 13 17.863 0.000 A 7 ALA N N 15 120.338 0.000 A 8 LYS H H 1 7.550 0.000 A 8 LYS HA H 1 4.146 0.000 A 8 LYS HBx H 1 2.013 0.000 A 8 LYS HBy H 1 2.013 0.000 A 8 LYS HDx H 1 1.940 0.000 A 8 LYS HDy H 1 1.940 0.000 A 8 LYS HEx H 1 3.138 0.000 A 8 LYS HEy H 1 3.138 0.000 A 8 LYS HGx H 1 1.526 0.000 A 8 LYS HGy H 1 1.623 0.000 A 8 LYS C C 13 178.184 0.000 A 8 LYS CA C 13 58.839 0.000 A 8 LYS CB C 13 31.571 0.000 A 8 LYS CD C 13 28.616 0.000 A 8 LYS CE C 13 41.907 0.000 A 8 LYS CG C 13 23.974 0.000 A 8 LYS N N 15 119.984 0.000 A 9 ILE H H 1 8.215 0.000 A 9 ILE HA H 1 3.194 0.000 A 9 ILE HB H 1 1.480 0.000 A 9 ILE HD1% H 1 0.224 0.000 A 9 ILE HG12 H 1 0.501 0.000 A 9 ILE HG13 H 1 0.501 0.000 A 9 ILE HG2% H 1 -0.065 0.000 A 9 ILE C C 13 178.144 0.000 A 9 ILE CA C 13 65.398 0.000 A 9 ILE CB C 13 37.541 0.000 A 9 ILE CD1 C 13 13.505 0.000 A 9 ILE CG1 C 13 29.527 0.000 A 9 ILE CG2 C 13 16.782 0.000 A 9 ILE N N 15 118.841 0.000 A 10 ASN H H 1 8.487 0.000 A 10 ASN HA H 1 4.439 0.000 A 10 ASN HBx H 1 2.736 0.000 A 10 ASN HBy H 1 2.874 0.000 A 10 ASN C C 13 178.084 0.000 A 10 ASN CA C 13 56.481 0.000 A 10 ASN CB C 13 38.130 0.000 A 10 ASN N N 15 117.437 0.000 A 11 ALA H H 1 7.839 0.000 A 11 ALA HA H 1 4.283 0.000 A 11 ALA HB% H 1 1.546 0.000 A 11 ALA C C 13 180.728 0.000 A 11 ALA CA C 13 55.449 0.000 A 11 ALA CB C 13 18.379 0.000 A 11 ALA N N 15 124.470 0.000 A 12 VAL H H 1 8.081 0.000 A 12 VAL HA H 1 3.340 0.000 A 12 VAL HB H 1 1.665 0.000 A 12 VAL HGx% H 1 0.319 0.000 A 12 VAL HGy% H 1 0.360 0.000 A 12 VAL C C 13 178.305 0.000 A 12 VAL CA C 13 66.725 0.000 A 12 VAL CB C 13 31.203 0.000 A 12 VAL CG1 C 13 22.517 0.000 A 12 VAL CG2 C 13 21.243 0.000 A 12 VAL N N 15 120.626 0.000 A 13 ARG H H 1 9.007 0.000 A 13 ARG HA H 1 3.675 0.000 A 13 ARG HBx H 1 1.986 0.000 A 13 ARG HBy H 1 1.986 0.000 A 13 ARG HDx H 1 3.268 0.000 A 13 ARG HDy H 1 3.268 0.000 A 13 ARG HGx H 1 1.526 0.000 A 13 ARG HGy H 1 1.526 0.000 A 13 ARG C C 13 177.043 0.000 A 13 ARG CA C 13 60.387 0.000 A 13 ARG CB C 13 30.024 0.000 A 13 ARG CD C 13 43.818 0.000 A 13 ARG CG C 13 26.705 0.000 A 13 ARG N N 15 120.199 0.000 A 14 ALA H H 1 7.574 0.000 A 14 ALA HA H 1 4.100 0.000 A 14 ALA HB% H 1 1.546 0.000 A 14 ALA C C 13 180.207 0.000 A 14 ALA CA C 13 55.965 0.000 A 14 ALA CB C 13 17.937 0.000 A 14 ALA N N 15 120.291 0.000 A 15 ALA H H 1 7.128 0.000 A 15 ALA HA H 1 4.256 0.000 A 15 ALA HB% H 1 1.364 0.000 A 15 ALA C C 13 180.147 0.000 A 15 ALA CA C 13 54.933 0.000 A 15 ALA CB C 13 18.527 0.000 A 15 ALA N N 15 121.489 0.000 A 16 LEU H H 1 8.328 0.000 A 16 LEU HA H 1 3.849 0.000 A 16 LEU HBx H 1 1.648 0.000 A 16 LEU HBy H 1 1.648 0.000 A 16 LEU HDx% H 1 0.647 0.000 A 16 LEU HDy% H 1 0.761 0.000 A 16 LEU HG H 1 1.771 0.000 A 16 LEU C C 13 178.385 0.000 A 16 LEU CA C 13 58.913 0.000 A 16 LEU CB C 13 39.752 0.000 A 16 LEU CD1 C 13 26.158 0.000 A 16 LEU CD2 C 13 24.120 0.000 A 16 LEU CG C 13 26.067 0.000 A 16 LEU N N 15 117.977 0.000 A 17 LEU H H 1 8.690 0.000 A 17 LEU HA H 1 3.887 0.000 A 17 LEU HBx H 1 1.487 0.000 A 17 LEU HBy H 1 1.859 0.000 A 17 LEU HDx% H 1 0.913 0.000 A 17 LEU HDy% H 1 0.913 0.000 A 17 LEU HG H 1 1.525 0.000 A 17 LEU C C 13 178.945 0.000 A 17 LEU CA C 13 58.323 0.000 A 17 LEU CB C 13 42.405 0.000 A 17 LEU CD1 C 13 24.793 0.000 A 17 LEU CD2 C 13 23.428 0.000 A 17 LEU CG C 13 27.251 0.000 A 17 LEU N N 15 119.317 0.000 A 18 GLU H H 1 7.459 0.000 A 18 GLU HA H 1 4.210 0.000 A 18 GLU HBx H 1 2.096 0.000 A 18 GLU HBy H 1 2.210 0.000 A 18 GLU HGy H 1 2.389 0.000 A 18 GLU HGx H 1 2.324 0.000 A 18 GLU C C 13 180.868 0.000 A 18 GLU CA C 13 60.166 0.000 A 18 GLU CB C 13 29.360 0.000 A 18 GLU CG C 13 35.899 0.000 A 18 GLU N N 15 119.247 0.000 A 19 ASN H H 1 7.900 0.000 A 19 ASN HA H 1 4.686 0.000 A 19 ASN HBx H 1 2.416 0.000 A 19 ASN HBy H 1 2.947 0.000 A 19 ASN C C 13 177.423 0.000 A 19 ASN CA C 13 55.891 0.000 A 19 ASN CB C 13 40.415 0.000 A 19 ASN N N 15 119.223 0.000 A 20 ALA H H 1 9.354 0.000 A 20 ALA HA H 1 3.876 0.000 A 20 ALA HB% H 1 1.550 0.000 A 20 ALA C C 13 179.847 0.000 A 20 ALA CA C 13 55.965 0.000 A 20 ALA CB C 13 18.085 0.000 A 20 ALA N N 15 126.103 0.000 A 21 HIS H H 1 8.536 0.000 A 21 HIS HA H 1 4.878 0.000 A 21 HIS HBx H 1 3.415 0.000 A 21 HIS HBy H 1 3.480 0.000 A 21 HIS HD2 H 1 7.306 0.000 A 21 HIS HE1 H 1 8.310 0.000 A 21 HIS C C 13 178.365 0.000 A 21 HIS CA C 13 58.544 0.000 A 21 HIS CB C 13 28.771 0.000 A 21 HIS CD2 C 13 120.940 0.000 A 21 HIS CE1 C 13 137.087 0.000 A 21 HIS N N 15 117.886 0.000 A 22 PHE H H 1 7.856 0.000 A 22 PHE HA H 1 4.366 0.000 A 22 PHE HBy H 1 3.594 0.000 A 22 PHE HBx H 1 3.399 0.000 A 22 PHE HDx H 1 7.250 0.000 A 22 PHE HDy H 1 7.250 0.000 A 22 PHE HEx H 1 7.510 0.000 A 22 PHE HEy H 1 7.510 0.000 A 22 PHE C C 13 177.183 0.000 A 22 PHE CA C 13 61.861 0.000 A 22 PHE CB C 13 37.983 0.000 A 22 PHE CDx C 13 132.224 0.000 A 22 PHE CDy C 13 132.224 0.000 A 22 PHE CEx C 13 132.224 0.000 A 22 PHE CEy C 13 132.224 0.000 A 22 PHE N N 15 121.723 0.000 A 23 MET H H 1 8.263 0.000 A 23 MET HA H 1 3.861 0.000 A 23 MET HBx H 1 1.429 0.000 A 23 MET HBy H 1 1.429 0.000 A 23 MET HE% H 1 1.884 0.000 A 23 MET HGx H 1 2.695 0.000 A 23 MET HGy H 1 2.695 0.000 A 23 MET C C 13 179.306 0.000 A 23 MET CA C 13 56.407 0.000 A 23 MET CB C 13 30.466 0.000 A 23 MET CE C 13 17.624 0.000 A 23 MET CG C 13 31.438 0.000 A 23 MET N N 15 120.610 0.000 A 24 GLU H H 1 8.528 0.000 A 24 GLU HA H 1 4.340 0.000 A 24 GLU HBy H 1 2.567 0.000 A 24 GLU HBx H 1 2.324 0.000 A 24 GLU HGx H 1 2.457 0.000 A 24 GLU HGy H 1 2.720 0.000 A 24 GLU C C 13 179.366 0.000 A 24 GLU CA C 13 60.092 0.000 A 24 GLU CB C 13 30.097 0.000 A 24 GLU CG C 13 36.149 0.000 A 24 GLU N N 15 120.489 0.000 A 25 LYS H H 1 7.874 0.000 A 25 LYS HA H 1 4.065 0.000 A 25 LYS HBx H 1 1.964 0.000 A 25 LYS HBy H 1 1.964 0.000 A 25 LYS HDx H 1 2.018 0.000 A 25 LYS HDy H 1 2.018 0.000 A 25 LYS HEx H 1 2.890 0.000 A 25 LYS HEy H 1 2.890 0.000 A 25 LYS HGx H 1 1.461 0.000 A 25 LYS HGy H 1 1.620 0.000 A 25 LYS C C 13 179.066 0.000 A 25 LYS CA C 13 60.018 0.000 A 25 LYS CB C 13 31.940 0.000 A 25 LYS CD C 13 29.162 0.000 A 25 LYS CE C 13 41.816 0.000 A 25 LYS CG C 13 25.066 0.000 A 25 LYS N N 15 120.507 0.000 A 26 PHE H H 1 8.786 0.000 A 26 PHE HA H 1 3.838 0.000 A 26 PHE HBy H 1 3.464 0.000 A 26 PHE HBx H 1 2.503 0.000 A 26 PHE HDx H 1 7.370 0.000 A 26 PHE HDy H 1 7.370 0.000 A 26 PHE CA C 13 62.377 0.000 A 26 PHE CB C 13 39.267 0.000 A 26 PHE CDx C 13 132.224 0.000 A 26 PHE CDy C 13 132.224 0.000 A 26 PHE N N 15 123.731 0.000 A 27 TYR HA H 1 3.954 0.000 A 27 TYR HBx H 1 3.124 0.000 A 27 TYR HBy H 1 3.124 0.000 A 27 TYR HDx H 1 7.306 0.000 A 27 TYR HDy H 1 7.306 0.000 A 27 TYR HEy H 1 7.047 0.000 A 27 TYR C C 13 179.286 0.000 A 27 TYR CA C 13 61.271 0.000 A 27 TYR CB C 13 39.015 0.000 A 27 TYR CDx C 13 131.677 0.000 A 27 TYR CDy C 13 131.677 0.000 A 27 TYR CEy C 13 129.490 0.000 A 28 LEU H H 1 8.235 0.000 A 28 LEU HA H 1 4.064 0.000 A 28 LEU HBx H 1 1.711 0.000 A 28 LEU HBy H 1 1.949 0.000 A 28 LEU HDx% H 1 0.995 0.000 A 28 LEU HDy% H 1 0.995 0.000 A 28 LEU HG H 1 1.945 0.000 A 28 LEU C C 13 178.805 0.000 A 28 LEU CA C 13 58.176 0.000 A 28 LEU CB C 13 41.963 0.000 A 28 LEU CD1 C 13 23.337 0.000 A 28 LEU CD2 C 13 24.884 0.000 A 28 LEU CG C 13 26.978 0.000 A 28 LEU N N 15 121.044 0.000 A 29 GLN H H 1 7.452 0.000 A 29 GLN HA H 1 4.128 0.000 A 29 GLN HBx H 1 1.901 0.000 A 29 GLN HBy H 1 1.901 0.000 A 29 GLN HGy H 1 2.374 0.000 A 29 GLN HGx H 1 2.226 0.000 A 29 GLN C C 13 177.023 0.000 A 29 GLN CA C 13 57.955 0.000 A 29 GLN CB C 13 29.802 0.000 A 29 GLN CG C 13 33.714 0.000 A 29 GLN N N 15 114.816 0.000 A 30 ASN H H 1 8.086 0.000 A 30 ASN HA H 1 4.655 0.000 A 30 ASN HBx H 1 2.438 0.000 A 30 ASN HBy H 1 2.438 0.000 A 30 ASN C C 13 175.721 0.000 A 30 ASN CA C 13 54.712 0.000 A 30 ASN CB C 13 41.520 0.000 A 30 ASN N N 15 113.864 0.000 A 31 GLY H H 1 8.966 0.000 A 31 GLY HAx H 1 3.838 0.000 A 31 GLY HAy H 1 4.010 0.000 A 31 GLY C C 13 173.178 0.000 A 31 GLY CA C 13 45.353 0.000 A 31 GLY N N 15 110.427 0.000 A 32 ARG H H 1 7.667 0.000 A 32 ARG C C 13 176.943 0.000 A 32 ARG CA C 13 57.513 0.000 A 32 ARG CB C 13 31.571 0.000 A 32 ARG N N 15 125.148 0.000 A 38 THR HA H 1 4.222 0.000 A 38 THR HB H 1 4.408 0.000 A 38 THR HG2% H 1 1.077 0.000 A 38 THR C C 13 174.640 0.000 A 38 THR CA C 13 60.829 0.000 A 38 THR CB C 13 70.557 0.000 A 38 THR CG2 C 13 21.607 0.000 A 39 LYS H H 1 7.331 0.000 A 39 LYS HA H 1 4.707 0.000 A 39 LYS HBx H 1 1.673 0.000 A 39 LYS HBy H 1 1.673 0.000 A 39 LYS HDx H 1 1.671 0.000 A 39 LYS HDy H 1 1.671 0.000 A 39 LYS HEx H 1 3.024 0.000 A 39 LYS HEy H 1 3.024 0.000 A 39 LYS HGx H 1 1.429 0.000 A 39 LYS HGy H 1 1.429 0.000 A 39 LYS C C 13 175.441 0.000 A 39 LYS CA C 13 55.965 0.000 A 39 LYS CB C 13 37.098 0.000 A 39 LYS CD C 13 28.889 0.000 A 39 LYS CE C 13 41.907 0.000 A 39 LYS CG C 13 24.611 0.000 A 39 LYS N N 15 124.707 0.000 A 40 TRP H H 1 8.704 0.000 A 40 TRP HA H 1 4.701 0.000 A 40 TRP HBx H 1 3.063 0.000 A 40 TRP HBy H 1 3.063 0.000 A 40 TRP HD1 H 1 7.200 0.000 A 40 TRP HE1 H 1 10.524 0.000 A 40 TRP HH2 H 1 7.469 0.000 A 40 TRP HZ2 H 1 7.149 0.000 A 40 TRP HZ3 H 1 7.168 0.000 A 40 TRP CA C 13 55.670 0.000 A 40 TRP CB C 13 30.466 0.000 A 40 TRP CD1 C 13 128.396 0.000 A 40 TRP CH2 C 13 124.569 0.000 A 40 TRP CZ2 C 13 113.634 0.000 A 40 TRP N N 15 126.269 0.000 A 40 TRP NE1 N 15 128.836 0.000 A 41 PRO HA H 1 4.640 0.000 A 41 PRO HBx H 1 1.735 0.000 A 41 PRO HBy H 1 1.735 0.000 A 41 PRO C C 13 175.501 0.000 A 41 PRO CA C 13 62.745 0.000 A 41 PRO CB C 13 32.308 0.000 A 42 SER H H 1 8.193 0.000 A 42 SER HA H 1 4.356 0.000 A 42 SER HBx H 1 3.773 0.000 A 42 SER HBy H 1 3.773 0.000 A 42 SER C C 13 174.079 0.000 A 42 SER CA C 13 58.471 0.000 A 42 SER CB C 13 63.851 0.000 A 42 SER N N 15 114.356 0.000 A 43 LEU H H 1 8.263 0.000 A 43 LEU HA H 1 3.936 0.000 A 43 LEU HBx H 1 1.689 0.000 A 43 LEU HBy H 1 1.689 0.000 A 43 LEU HDx% H 1 0.664 0.000 A 43 LEU HDy% H 1 0.664 0.000 A 43 LEU HG H 1 1.933 0.000 A 43 LEU C C 13 176.442 0.000 A 43 LEU CA C 13 52.354 0.000 A 43 LEU CB C 13 42.257 0.000 A 43 LEU CD2 C 13 23.519 0.000 A 43 LEU CG C 13 26.887 0.000 A 43 LEU N N 15 124.932 0.000 A 44 PRO HA H 1 4.173 0.000 A 44 PRO HBx H 1 1.867 0.000 A 44 PRO HBy H 1 2.114 0.000 A 44 PRO HDy H 1 3.692 0.000 A 44 PRO HDx H 1 3.382 0.000 A 44 PRO HGx H 1 1.754 0.000 A 44 PRO HGy H 1 2.015 0.000 A 44 PRO C C 13 177.687 0.000 A 44 PRO CA C 13 64.219 0.000 A 44 PRO CB C 13 31.792 0.000 A 44 PRO CD C 13 50.464 0.000 A 44 PRO CG C 13 26.887 0.000 A 45 ILE H H 1 7.633 0.000 A 45 ILE HA H 1 4.310 0.000 A 45 ILE HB H 1 1.787 0.000 A 45 ILE HD1% H 1 0.843 0.000 A 45 ILE HG12 H 1 1.364 0.000 A 45 ILE HG13 H 1 1.054 0.000 A 45 ILE HG2% H 1 0.843 0.000 A 45 ILE C C 13 175.281 0.000 A 45 ILE CA C 13 60.903 0.000 A 45 ILE CB C 13 38.646 0.000 A 45 ILE CD1 C 13 13.050 0.000 A 45 ILE CG1 C 13 27.160 0.000 A 45 ILE CG2 C 13 17.966 0.000 A 45 ILE N N 15 118.388 0.000 A 46 LYS H H 1 8.568 0.000 A 46 LYS HA H 1 4.530 0.000 A 46 LYS HBx H 1 1.702 0.000 A 46 LYS HBy H 1 2.082 0.000 A 46 LYS HDy H 1 1.397 0.000 A 46 LYS HEx H 1 3.057 0.000 A 46 LYS HEy H 1 3.057 0.000 A 46 LYS HGx H 1 0.757 0.000 A 46 LYS C C 13 176.703 0.000 A 46 LYS CA C 13 57.144 0.000 A 46 LYS CB C 13 34.077 0.000 A 46 LYS CD C 13 29.071 0.000 A 46 LYS CE C 13 42.271 0.000 A 46 LYS CG C 13 25.521 0.000 A 46 LYS N N 15 124.312 0.000 A 47 GLU H H 1 7.553 0.000 A 47 GLU HA H 1 5.253 0.000 A 47 GLU HBx H 1 1.977 0.000 A 47 GLU HBy H 1 1.977 0.000 A 47 GLU HGy H 1 2.145 0.000 A 47 GLU HGx H 1 2.074 0.000 A 47 GLU C C 13 174.300 0.000 A 47 GLU CA C 13 55.523 0.000 A 47 GLU CB C 13 33.193 0.000 A 47 GLU CG C 13 36.172 0.000 A 47 GLU N N 15 119.280 0.000 A 48 ALA H H 1 8.994 0.000 A 48 ALA HA H 1 4.489 0.000 A 48 ALA HB% H 1 1.272 0.000 A 48 ALA C C 13 176.342 0.000 A 48 ALA CA C 13 53.165 0.000 A 48 ALA CB C 13 22.212 0.000 A 48 ALA N N 15 124.222 0.000 A 49 GLU H H 1 9.093 0.000 A 49 GLU HA H 1 3.954 0.000 A 49 GLU HBx H 1 1.949 0.000 A 49 GLU HBy H 1 2.370 0.000 A 49 GLU HGx H 1 2.145 0.000 A 49 GLU HGy H 1 2.145 0.000 A 49 GLU C C 13 176.242 0.000 A 49 GLU CA C 13 56.333 0.000 A 49 GLU CB C 13 27.370 0.000 A 49 GLU CG C 13 35.353 0.000 A 49 GLU N N 15 117.515 0.000 A 50 GLY H H 1 8.925 0.000 A 50 GLY HAx H 1 3.670 0.000 A 50 GLY HAy H 1 4.229 0.000 A 50 GLY C C 13 174.480 0.000 A 50 GLY CA C 13 45.868 0.000 A 50 GLY N N 15 104.451 0.000 A 51 PHE H H 1 8.683 0.000 A 51 PHE HA H 1 5.253 0.000 A 51 PHE HBx H 1 2.585 0.000 A 51 PHE HBy H 1 3.350 0.000 A 51 PHE HDx H 1 7.045 0.000 A 51 PHE HDy H 1 7.045 0.000 A 51 PHE HEx H 1 7.163 0.000 A 51 PHE HEy H 1 7.163 0.000 A 51 PHE HZ H 1 6.892 0.000 A 51 PHE C C 13 175.501 0.000 A 51 PHE CA C 13 56.702 0.000 A 51 PHE CB C 13 40.267 0.000 A 51 PHE CDx C 13 132.224 0.000 A 51 PHE CDy C 13 132.224 0.000 A 51 PHE CEx C 13 131.130 0.000 A 51 PHE CEy C 13 131.130 0.000 A 51 PHE CZ C 13 131.677 0.000 A 51 PHE N N 15 122.753 0.000 A 52 CYS H H 1 9.803 0.000 A 52 CYS HA H 1 5.427 0.000 A 52 CYS HBx H 1 3.268 0.000 A 52 CYS HBy H 1 3.757 0.000 A 52 CYS C C 13 173.138 0.000 A 52 CYS CA C 13 56.039 0.000 A 52 CYS CB C 13 44.984 0.000 A 52 CYS N N 15 118.389 0.000 A 53 ILE H H 1 8.048 0.000 A 53 ILE HA H 1 5.213 0.000 A 53 ILE HB H 1 1.479 0.000 A 53 ILE HD1% H 1 0.566 0.000 A 53 ILE HG12 H 1 1.461 0.000 A 53 ILE HG13 H 1 1.461 0.000 A 53 ILE HG2% H 1 0.631 0.000 A 53 ILE C C 13 174.760 0.000 A 53 ILE CA C 13 61.198 0.000 A 53 ILE CB C 13 40.783 0.000 A 53 ILE CD1 C 13 14.325 0.000 A 53 ILE CG1 C 13 27.433 0.000 A 53 ILE CG2 C 13 18.330 0.000 A 53 ILE N N 15 120.814 0.000 A 54 ARG H H 1 8.866 0.000 A 54 ARG HA H 1 4.613 0.000 A 54 ARG HBx H 1 1.745 0.000 A 54 ARG HBy H 1 1.745 0.000 A 54 ARG HDx H 1 3.008 0.000 A 54 ARG HDy H 1 3.008 0.000 A 54 ARG HGx H 1 1.479 0.000 A 54 ARG HGy H 1 1.479 0.000 A 54 ARG C C 13 175.081 0.000 A 54 ARG CA C 13 53.459 0.000 A 54 ARG CB C 13 35.919 0.000 A 54 ARG CD C 13 41.907 0.000 A 54 ARG CG C 13 24.793 0.000 A 54 ARG N N 15 122.013 0.000 A 55 LEU H H 1 8.678 0.000 A 55 LEU HA H 1 4.573 0.000 A 55 LEU HBy H 1 1.799 0.000 A 55 LEU HBx H 1 1.673 0.000 A 55 LEU HDx% H 1 0.761 0.000 A 55 LEU HDy% H 1 0.517 0.000 A 55 LEU C C 13 175.661 0.000 A 55 LEU CA C 13 55.965 0.000 A 55 LEU CB C 13 40.341 0.000 A 55 LEU CD1 C 13 24.520 0.000 A 55 LEU CD2 C 13 24.520 0.000 A 55 LEU CG C 13 27.251 0.000 A 55 LEU N N 15 121.824 0.000 A 56 ASN H H 1 9.061 0.000 A 56 ASN HA H 1 4.444 0.000 A 56 ASN CA C 13 52.943 0.000 A 56 ASN CB C 13 43.584 0.000 A 56 ASN N N 15 119.116 0.000 A 59 ALA HA H 1 3.210 0.000 A 59 ALA HB% H 1 -0.052 0.000 A 59 ALA CA C 13 55.480 0.000 A 59 ALA CB C 13 14.800 0.000 A 61 GLY HAx H 1 3.838 0.000 A 61 GLY HAy H 1 4.029 0.000 A 61 GLY C C 13 173.326 0.000 A 61 GLY CA C 13 45.131 0.000 A 62 ALA H H 1 7.348 0.000 A 62 ALA HA H 1 4.646 0.000 A 62 ALA HB% H 1 1.653 0.000 A 62 ALA C C 13 178.685 0.000 A 62 ALA CA C 13 51.322 0.000 A 62 ALA CB C 13 21.106 0.000 A 62 ALA N N 15 123.542 0.000 A 65 SER HA H 1 4.560 0.000 A 65 SER HBy H 1 4.065 0.000 A 65 SER HBx H 1 3.862 0.000 A 65 SER C C 13 173.298 0.000 A 65 SER CA C 13 58.989 0.000 A 65 SER CB C 13 63.709 0.000 A 66 LYS H H 1 7.639 0.000 A 66 LYS HA H 1 4.664 0.000 A 66 LYS HBx H 1 1.717 0.000 A 66 LYS HBy H 1 1.919 0.000 A 66 LYS HDx H 1 1.717 0.000 A 66 LYS HDy H 1 1.717 0.000 A 66 LYS HEx H 1 3.020 0.000 A 66 LYS HEy H 1 3.020 0.000 A 66 LYS HGx H 1 1.388 0.000 A 66 LYS HGy H 1 1.388 0.000 A 66 LYS C C 13 174.900 0.000 A 66 LYS CA C 13 55.449 0.000 A 66 LYS CB C 13 37.025 0.000 A 66 LYS CD C 13 28.980 0.000 A 66 LYS CE C 13 41.907 0.000 A 66 LYS CG C 13 24.702 0.000 A 66 LYS N N 15 120.120 0.000 A 67 PHE H H 1 8.031 0.000 A 67 PHE HA H 1 4.636 0.000 A 67 PHE HBx H 1 2.617 0.000 A 67 PHE HBy H 1 2.731 0.000 A 67 PHE HDx H 1 7.017 0.000 A 67 PHE HDy H 1 7.017 0.000 A 67 PHE HEx H 1 7.167 0.000 A 67 PHE HEy H 1 7.167 0.000 A 67 PHE CA C 13 58.471 0.000 A 67 PHE CB C 13 41.078 0.000 A 67 PHE CDx C 13 131.677 0.000 A 67 PHE CDy C 13 131.677 0.000 A 67 PHE CEx C 13 131.130 0.000 A 67 PHE N N 15 113.254 0.000 A 68 MET HA H 1 5.170 0.000 A 68 MET HBy H 1 2.149 0.000 A 68 MET HBx H 1 2.089 0.000 A 68 MET HE% H 1 1.820 0.000 A 68 MET HGx H 1 1.964 0.000 A 68 MET HGy H 1 1.964 0.000 A 68 MET C C 13 175.621 0.000 A 68 MET CA C 13 54.196 0.000 A 68 MET CB C 13 35.256 0.000 A 68 MET CE C 13 16.667 0.000 A 68 MET CG C 13 31.984 0.000 A 69 LEU H H 1 9.571 0.000 A 69 LEU HA H 1 4.538 0.000 A 69 LEU C C 13 176.743 0.000 A 69 LEU CA C 13 54.712 0.000 A 69 LEU CB C 13 46.163 0.000 A 69 LEU N N 15 128.464 0.000 A 70 LYS H H 1 9.037 0.000 A 70 LYS HA H 1 5.173 0.000 A 70 LYS C C 13 171.636 0.000 A 70 LYS CA C 13 55.965 0.000 A 70 LYS CB C 13 38.867 0.000 A 70 LYS N N 15 122.100 0.000 A 71 ALA H H 1 9.636 0.000 A 71 ALA HA H 1 5.996 0.000 A 71 ALA HB% H 1 1.253 0.000 A 71 ALA C C 13 175.481 0.000 A 71 ALA CA C 13 49.332 0.000 A 71 ALA CB C 13 22.801 0.000 A 71 ALA N N 15 130.006 0.000 A 72 VAL H H 1 8.836 0.000 A 72 VAL HA H 1 4.201 0.000 A 72 VAL HB H 1 1.787 0.000 A 72 VAL HGx% H 1 0.784 0.000 A 72 VAL HGy% H 1 0.058 0.000 A 72 VAL C C 13 173.158 0.000 A 72 VAL CA C 13 60.387 0.000 A 72 VAL CB C 13 35.182 0.000 A 72 VAL CG1 C 13 21.516 0.000 A 72 VAL CG2 C 13 23.063 0.000 A 72 VAL N N 15 123.791 0.000 A 73 ALA H H 1 8.641 0.000 A 73 ALA HA H 1 3.399 0.000 A 73 ALA HB% H 1 0.750 0.000 A 73 ALA C C 13 177.544 0.000 A 73 ALA CA C 13 53.165 0.000 A 73 ALA CB C 13 20.664 0.000 A 73 ALA N N 15 130.275 0.000 A 74 ILE H H 1 8.362 0.000 A 74 ILE HA H 1 3.480 0.000 A 74 ILE HB H 1 1.572 0.000 A 74 ILE HD1% H 1 0.757 0.000 A 74 ILE HG12 H 1 1.064 0.000 A 74 ILE HG13 H 1 1.064 0.000 A 74 ILE HG2% H 1 0.843 0.000 A 74 ILE C C 13 177.003 0.000 A 74 ILE CA C 13 64.956 0.000 A 74 ILE CB C 13 38.646 0.000 A 74 ILE CD1 C 13 13.050 0.000 A 74 ILE CG1 C 13 30.164 0.000 A 74 ILE CG2 C 13 16.964 0.000 A 74 ILE N N 15 121.520 0.000 A 75 ASP H H 1 8.247 0.000 A 75 ASP HA H 1 4.823 0.000 A 75 ASP HBx H 1 2.347 0.000 A 75 ASP HBy H 1 2.804 0.000 A 75 ASP C C 13 176.102 0.000 A 75 ASP CA C 13 52.133 0.000 A 75 ASP CB C 13 40.489 0.000 A 75 ASP N N 15 118.634 0.000 A 76 LYS H H 1 8.098 0.000 A 76 LYS HA H 1 3.862 0.000 A 76 LYS HBx H 1 1.693 0.000 A 76 LYS HBy H 1 1.830 0.000 A 76 LYS HDx H 1 1.561 0.000 A 76 LYS HDy H 1 1.561 0.000 A 76 LYS HEx H 1 2.905 0.000 A 76 LYS HEy H 1 2.905 0.000 A 76 LYS HGx H 1 1.196 0.000 A 76 LYS HGy H 1 1.196 0.000 A 76 LYS C C 13 177.524 0.000 A 76 LYS CA C 13 58.544 0.000 A 76 LYS CB C 13 32.456 0.000 A 76 LYS CD C 13 29.254 0.000 A 76 LYS CE C 13 42.180 0.000 A 76 LYS CG C 13 24.702 0.000 A 76 LYS N N 15 123.707 0.000 A 77 ASP H H 1 8.090 0.000 A 77 ASP HA H 1 4.390 0.000 A 77 ASP HBx H 1 2.617 0.000 A 77 ASP HBy H 1 2.718 0.000 A 77 ASP C C 13 177.644 0.000 A 77 ASP CA C 13 56.849 0.000 A 77 ASP CB C 13 40.857 0.000 A 77 ASP N N 15 117.288 0.000 A 78 LYS H H 1 7.169 0.000 A 78 LYS HA H 1 4.201 0.000 A 78 LYS HBx H 1 1.640 0.000 A 78 LYS HBy H 1 1.794 0.000 A 78 LYS HDx H 1 1.360 0.000 A 78 LYS HDy H 1 1.360 0.000 A 78 LYS HEx H 1 3.014 0.000 A 78 LYS HEy H 1 3.014 0.000 A 78 LYS HGx H 1 1.443 0.000 A 78 LYS HGy H 1 1.443 0.000 A 78 LYS C C 13 176.342 0.000 A 78 LYS CA C 13 56.997 0.000 A 78 LYS CB C 13 33.782 0.000 A 78 LYS CD C 13 28.980 0.000 A 78 LYS CE C 13 41.998 0.000 A 78 LYS CG C 13 25.066 0.000 A 78 LYS N N 15 117.086 0.000 A 79 ASN H H 1 7.188 0.000 A 79 ASN HA H 1 5.140 0.000 A 79 ASN HBx H 1 2.194 0.000 A 79 ASN HBy H 1 2.358 0.000 A 79 ASN C C 13 171.676 0.000 A 79 ASN CA C 13 50.880 0.000 A 79 ASN CB C 13 41.447 0.000 A 79 ASN N N 15 115.298 0.000 A 80 PRO HA H 1 4.658 0.000 A 80 PRO HBx H 1 2.169 0.000 A 80 PRO HBy H 1 2.169 0.000 A 80 PRO HDx H 1 3.402 0.000 A 80 PRO HDy H 1 3.705 0.000 A 80 PRO HGx H 1 1.771 0.000 A 80 PRO HGy H 1 2.031 0.000 A 80 PRO C C 13 175.641 0.000 A 80 PRO CA C 13 64.145 0.000 A 80 PRO CB C 13 31.055 0.000 A 80 PRO CD C 13 50.373 0.000 A 80 PRO CG C 13 27.069 0.000 A 81 PHE H H 1 7.410 0.000 A 81 PHE HA H 1 5.061 0.000 A 81 PHE HBx H 1 2.992 0.000 A 81 PHE HBy H 1 3.089 0.000 A 81 PHE HDx H 1 7.069 0.000 A 81 PHE HDy H 1 7.069 0.000 A 81 PHE HEx H 1 7.329 0.000 A 81 PHE HEy H 1 7.329 0.000 A 81 PHE C C 13 174.860 0.000 A 81 PHE CA C 13 56.112 0.000 A 81 PHE CB C 13 40.489 0.000 A 81 PHE CDx C 13 132.224 0.000 A 81 PHE CDy C 13 132.224 0.000 A 81 PHE CEx C 13 130.583 0.000 A 81 PHE CEy C 13 130.583 0.000 A 81 PHE N N 15 115.742 0.000 A 82 ILE H H 1 8.784 0.000 A 82 ILE HA H 1 5.027 0.000 A 82 ILE HB H 1 1.885 0.000 A 82 ILE HD1% H 1 0.748 0.000 A 82 ILE HG12 H 1 1.388 0.000 A 82 ILE HG13 H 1 1.147 0.000 A 82 ILE HG2% H 1 0.867 0.000 A 82 ILE C C 13 175.177 0.000 A 82 ILE CA C 13 59.871 0.000 A 82 ILE CB C 13 41.078 0.000 A 82 ILE CD1 C 13 16.145 0.000 A 82 ILE CG1 C 13 28.889 0.000 A 82 ILE CG2 C 13 20.970 0.000 A 82 ILE N N 15 117.557 0.000 A 83 ILE H H 1 8.499 0.000 A 83 ILE HA H 1 5.144 0.000 A 83 ILE HB H 1 1.498 0.000 A 83 ILE HD1% H 1 0.483 0.000 A 83 ILE HG12 H 1 0.900 0.000 A 83 ILE HG13 H 1 0.900 0.000 A 83 ILE HG2% H 1 0.650 0.000 A 83 ILE C C 13 174.360 0.000 A 83 ILE CA C 13 60.092 0.000 A 83 ILE CB C 13 41.226 0.000 A 83 ILE CD1 C 13 15.144 0.000 A 83 ILE CG1 C 13 27.433 0.000 A 83 ILE CG2 C 13 18.330 0.000 A 83 ILE N N 15 123.718 0.000 A 84 LYS H H 1 9.340 0.000 A 84 LYS HA H 1 5.628 0.000 A 84 LYS HBx H 1 1.550 0.000 A 84 LYS HBy H 1 1.550 0.000 A 84 LYS HDx H 1 1.168 0.000 A 84 LYS HDy H 1 1.168 0.000 A 84 LYS HEx H 1 2.194 0.000 A 84 LYS HEy H 1 2.373 0.000 A 84 LYS HGx H 1 0.770 0.000 A 84 LYS HGy H 1 0.770 0.000 A 84 LYS C C 13 174.640 0.000 A 84 LYS CA C 13 54.638 0.000 A 84 LYS CB C 13 37.172 0.000 A 84 LYS CD C 13 26.978 0.000 A 84 LYS CE C 13 41.816 0.000 A 84 LYS CG C 13 24.611 0.000 A 84 LYS N N 15 124.882 0.000 A 85 MET H H 1 8.752 0.000 A 85 MET HA H 1 5.738 0.000 A 85 MET HBx H 1 1.657 0.000 A 85 MET HBy H 1 1.657 0.000 A 85 MET HE% H 1 2.047 0.000 A 85 MET HGx H 1 2.128 0.000 A 85 MET HGy H 1 2.128 0.000 A 85 MET C C 13 174.340 0.000 A 85 MET CA C 13 54.860 0.000 A 85 MET CB C 13 38.941 0.000 A 85 MET CE C 13 16.837 0.000 A 85 MET CG C 13 31.529 0.000 A 85 MET N N 15 121.437 0.000 A 86 ASN H H 1 7.827 0.000 A 86 ASN HA H 1 5.531 0.000 A 86 ASN HBx H 1 2.943 0.000 A 86 ASN HBy H 1 3.627 0.000 A 86 ASN C C 13 176.903 0.000 A 86 ASN CA C 13 51.543 0.000 A 86 ASN CB C 13 40.857 0.000 A 86 ASN N N 15 125.240 0.000 A 87 GLU H H 1 8.103 0.000 A 87 GLU HA H 1 4.880 0.000 A 87 GLU HBy H 1 3.467 0.000 A 87 GLU HGx H 1 2.324 0.000 A 87 GLU HGy H 1 2.552 0.000 A 87 GLU C C 13 176.352 0.000 A 87 GLU CA C 13 58.397 0.000 A 87 GLU CB C 13 28.889 0.000 A 87 GLU CG C 13 40.996 0.000 A 87 GLU N N 15 115.497 0.000 A 88 ASN H H 1 7.331 0.000 A 88 ASN HA H 1 4.902 0.000 A 88 ASN HBx H 1 2.567 0.000 A 88 ASN HBy H 1 3.005 0.000 A 88 ASN C C 13 174.440 0.000 A 88 ASN CA C 13 53.017 0.000 A 88 ASN CB C 13 39.383 0.000 A 88 ASN N N 15 119.003 0.000 A 89 LEU H H 1 8.583 0.000 A 89 LEU HA H 1 3.895 0.000 A 89 LEU HBx H 1 1.533 0.000 A 89 LEU HBy H 1 2.187 0.000 A 89 LEU HDx% H 1 0.924 0.000 A 89 LEU HDy% H 1 0.843 0.000 A 89 LEU HG H 1 1.429 0.000 A 89 LEU C C 13 176.002 0.000 A 89 LEU CA C 13 55.891 0.000 A 89 LEU CB C 13 37.393 0.000 A 89 LEU CD1 C 13 25.339 0.000 A 89 LEU CD2 C 13 23.154 0.000 A 89 LEU CG C 13 27.069 0.000 A 89 LEU N N 15 115.277 0.000 A 90 VAL H H 1 7.619 0.000 A 90 VAL HA H 1 3.707 0.000 A 90 VAL HB H 1 1.803 0.000 A 90 VAL HGx% H 1 0.859 0.000 A 90 VAL HGy% H 1 0.456 0.000 A 90 VAL C C 13 174.920 0.000 A 90 VAL CA C 13 63.335 0.000 A 90 VAL CB C 13 31.866 0.000 A 90 VAL CG1 C 13 21.607 0.000 A 90 VAL CG2 C 13 22.517 0.000 A 90 VAL N N 15 122.557 0.000 A 91 THR H H 1 8.139 0.000 A 91 THR HA H 1 5.290 0.000 A 91 THR HB H 1 4.109 0.000 A 91 THR HG2% H 1 1.013 0.000 A 91 THR C C 13 173.078 0.000 A 91 THR CA C 13 61.861 0.000 A 91 THR CB C 13 69.525 0.000 A 91 THR CG2 C 13 21.334 0.000 A 91 THR N N 15 121.158 0.000 A 92 PHE H H 1 9.513 0.000 A 92 PHE HA H 1 5.259 0.000 A 92 PHE HBx H 1 2.658 0.000 A 92 PHE HBy H 1 2.832 0.000 A 92 PHE HDx H 1 6.883 0.000 A 92 PHE HDy H 1 6.883 0.000 A 92 PHE HEx H 1 7.165 0.000 A 92 PHE HEy H 1 7.165 0.000 A 92 PHE C C 13 174.720 0.000 A 92 PHE CA C 13 56.039 0.000 A 92 PHE CB C 13 42.921 0.000 A 92 PHE CDx C 13 131.677 0.000 A 92 PHE CDy C 13 131.677 0.000 A 92 PHE CEx C 13 131.130 0.000 A 92 PHE CEy C 13 131.130 0.000 A 92 PHE N N 15 124.497 0.000 A 93 ILE H H 1 9.221 0.000 A 93 ILE HA H 1 5.382 0.000 A 93 ILE HB H 1 1.770 0.000 A 93 ILE HD1% H 1 0.483 0.000 A 93 ILE HG12 H 1 1.150 0.000 A 93 ILE HG13 H 1 1.507 0.000 A 93 ILE HG2% H 1 0.821 0.000 A 93 ILE C C 13 176.803 0.000 A 93 ILE CA C 13 58.544 0.000 A 93 ILE CB C 13 40.341 0.000 A 93 ILE CD1 C 13 13.141 0.000 A 93 ILE CG1 C 13 27.251 0.000 A 93 ILE CG2 C 13 17.146 0.000 A 93 ILE N N 15 118.808 0.000 A 94 CYS H H 1 9.166 0.000 A 94 CYS HA H 1 5.849 0.000 A 94 CYS HBx H 1 2.878 0.000 A 94 CYS HBy H 1 3.317 0.000 A 94 CYS C C 13 174.340 0.000 A 94 CYS CA C 13 54.565 0.000 A 94 CYS CB C 13 47.121 0.000 A 94 CYS N N 15 123.980 0.000 A 95 LYS H H 1 8.115 0.000 A 95 LYS HA H 1 4.522 0.000 A 95 LYS HBx H 1 2.129 0.000 A 95 LYS HBy H 1 2.129 0.000 A 95 LYS HDx H 1 1.817 0.000 A 95 LYS HDy H 1 1.817 0.000 A 95 LYS HEx H 1 3.088 0.000 A 95 LYS HEy H 1 3.088 0.000 A 95 LYS HGx H 1 1.543 0.000 A 95 LYS HGy H 1 1.543 0.000 A 95 LYS C C 13 175.862 0.000 A 95 LYS CA C 13 57.734 0.000 A 95 LYS CB C 13 34.151 0.000 A 95 LYS CD C 13 28.798 0.000 A 95 LYS CE C 13 41.998 0.000 A 95 LYS CG C 13 25.885 0.000 A 95 LYS N N 15 120.586 0.000 A 96 LYS H H 1 7.842 0.000 A 96 LYS HA H 1 4.750 0.000 A 96 LYS HBx H 1 1.671 0.000 A 96 LYS HBy H 1 1.671 0.000 A 96 LYS HDx H 1 1.689 0.000 A 96 LYS HDy H 1 1.689 0.000 A 96 LYS HEx H 1 3.024 0.000 A 96 LYS HEy H 1 3.024 0.000 A 96 LYS HGx H 1 1.347 0.000 A 96 LYS HGy H 1 1.347 0.000 A 96 LYS C C 13 174.480 0.000 A 96 LYS CA C 13 55.375 0.000 A 96 LYS CB C 13 35.772 0.000 A 96 LYS CD C 13 29.254 0.000 A 96 LYS CE C 13 41.907 0.000 A 96 LYS CG C 13 24.702 0.000 A 96 LYS N N 15 117.049 0.000 A 97 SER H H 1 8.412 0.000 A 97 SER HA H 1 4.685 0.000 A 97 SER HBy H 1 4.375 0.000 A 97 SER HBx H 1 4.082 0.000 A 97 SER C C 13 174.540 0.000 A 97 SER CA C 13 57.660 0.000 A 97 SER CB C 13 66.062 0.000 A 97 SER N N 15 115.773 0.000 A 98 ALA HA H 1 4.506 0.000 A 98 ALA HB% H 1 1.461 0.000 A 98 ALA C C 13 178.225 0.000 A 98 ALA CA C 13 52.428 0.000 A 98 ALA CB C 13 19.264 0.000 A 99 SER H H 1 8.275 0.000 A 99 SER HA H 1 4.473 0.000 A 99 SER HBx H 1 3.122 0.000 A 99 SER HBy H 1 3.161 0.000 A 99 SER C C 13 172.157 0.000 A 99 SER CA C 13 60.313 0.000 A 99 SER CB C 13 64.882 0.000 A 99 SER N N 15 116.618 0.000 A 100 SER H H 1 8.828 0.000 A 100 SER HA H 1 4.796 0.000 A 100 SER HBx H 1 3.695 0.000 A 100 SER HBy H 1 3.836 0.000 A 100 SER C C 13 174.520 0.000 A 100 SER CA C 13 56.702 0.000 A 100 SER CB C 13 65.840 0.000 A 100 SER N N 15 116.548 0.000 A 101 CYS H H 1 9.707 0.000 A 101 CYS HA H 1 4.701 0.000 A 101 CYS HBx H 1 2.878 0.000 A 101 CYS HBy H 1 3.317 0.000 A 101 CYS C C 13 176.322 0.000 A 101 CYS CA C 13 56.702 0.000 A 101 CYS CB C 13 40.783 0.000 A 101 CYS N N 15 122.260 0.000 A 102 SER HA H 1 4.555 0.000 A 102 SER HBx H 1 3.871 0.000 A 102 SER HBy H 1 4.050 0.000 A 102 SER C C 13 174.608 0.000 A 102 SER CA C 13 58.692 0.000 A 102 SER CB C 13 63.777 0.000 A 103 ASP H H 1 7.345 0.000 A 103 ASP HA H 1 4.375 0.000 A 103 ASP HBx H 1 2.715 0.000 A 103 ASP HBy H 1 3.613 0.000 A 103 ASP C C 13 177.163 0.000 A 103 ASP CA C 13 55.228 0.000 A 103 ASP CB C 13 41.152 0.000 A 103 ASP N N 15 120.368 0.000 A 104 GLY H H 1 8.480 0.000 A 104 GLY HAx H 1 3.837 0.000 A 104 GLY HAy H 1 4.009 0.000 A 104 GLY C C 13 174.420 0.000 A 104 GLY CA C 13 46.163 0.000 A 104 GLY N N 15 108.319 0.000 A 105 LEU H H 1 7.764 0.000 A 105 LEU HA H 1 4.571 0.000 A 105 LEU HBx H 1 1.699 0.000 A 105 LEU HBy H 1 1.699 0.000 A 105 LEU HDx% H 1 0.761 0.000 A 105 LEU HDy% H 1 0.839 0.000 A 105 LEU HG H 1 1.460 0.000 A 105 LEU C C 13 176.582 0.000 A 105 LEU CA C 13 54.344 0.000 A 105 LEU CB C 13 43.879 0.000 A 105 LEU CD1 C 13 24.975 0.000 A 105 LEU CD2 C 13 22.567 0.000 A 105 LEU CG C 13 27.034 0.000 A 105 LEU N N 15 120.101 0.000 A 106 ASP H H 1 8.214 0.000 A 106 ASP HA H 1 4.686 0.000 A 106 ASP HBx H 1 2.730 0.000 A 106 ASP HBy H 1 2.966 0.000 A 106 ASP C C 13 174.460 0.000 A 106 ASP CA C 13 53.901 0.000 A 106 ASP CB C 13 40.710 0.000 A 106 ASP N N 15 114.614 0.000 A 107 TYR H H 1 7.155 0.000 A 107 TYR HA H 1 5.043 0.000 A 107 TYR HBx H 1 2.975 0.000 A 107 TYR HBy H 1 3.089 0.000 A 107 TYR HDx H 1 7.078 0.000 A 107 TYR HDy H 1 7.078 0.000 A 107 TYR HEx H 1 7.330 0.000 A 107 TYR HEy H 1 7.330 0.000 A 107 TYR C C 13 174.620 0.000 A 107 TYR CA C 13 55.597 0.000 A 107 TYR CB C 13 40.341 0.000 A 107 TYR CDx C 13 132.200 0.000 A 107 TYR CDy C 13 132.200 0.000 A 107 TYR CEx C 13 130.583 0.000 A 107 TYR CEy C 13 130.583 0.000 A 107 TYR N N 15 115.141 0.000 A 108 PHE H H 1 9.042 0.000 A 108 PHE HA H 1 5.369 0.000 A 108 PHE HBx H 1 3.057 0.000 A 108 PHE HBy H 1 3.285 0.000 A 108 PHE HDx H 1 7.355 0.000 A 108 PHE HDy H 1 7.355 0.000 A 108 PHE C C 13 174.020 0.000 A 108 PHE CA C 13 55.744 0.000 A 108 PHE CB C 13 43.658 0.000 A 108 PHE N N 15 120.463 0.000 A 109 LYS H H 1 8.545 0.000 A 109 LYS HA H 1 4.751 0.000 A 109 LYS HBx H 1 1.671 0.000 A 109 LYS HBy H 1 1.671 0.000 A 109 LYS HDx H 1 1.671 0.000 A 109 LYS HDy H 1 1.671 0.000 A 109 LYS HEx H 1 2.999 0.000 A 109 LYS HEy H 1 2.999 0.000 A 109 LYS HGx H 1 1.412 0.000 A 109 LYS HGy H 1 1.412 0.000 A 109 LYS C C 13 177.864 0.000 A 109 LYS CA C 13 55.891 0.000 A 109 LYS CB C 13 35.846 0.000 A 109 LYS CD C 13 29.162 0.000 A 109 LYS CE C 13 41.543 0.000 A 109 LYS CG C 13 24.702 0.000 A 109 LYS N N 15 119.375 0.000 A 112 ASP HA H 1 4.190 0.000 A 112 ASP HBx H 1 2.731 0.000 A 112 ASP HBy H 1 2.861 0.000 A 112 ASP C C 13 178.097 0.000 A 112 ASP CA C 13 55.121 0.000 A 112 ASP CB C 13 43.670 0.000 A 113 LYS H H 1 8.648 0.000 A 113 LYS HA H 1 4.732 0.000 A 113 LYS HBy H 1 1.738 0.000 A 113 LYS HBx H 1 1.618 0.000 A 113 LYS HDx H 1 1.699 0.000 A 113 LYS HDy H 1 1.699 0.000 A 113 LYS HEx H 1 3.024 0.000 A 113 LYS HEy H 1 3.024 0.000 A 113 LYS HGx H 1 1.395 0.000 A 113 LYS HGy H 1 1.395 0.000 A 113 LYS C C 13 174.780 0.000 A 113 LYS CA C 13 55.375 0.000 A 113 LYS CB C 13 36.509 0.000 A 113 LYS CD C 13 29.071 0.000 A 113 LYS CE C 13 41.479 0.000 A 113 LYS CG C 13 24.884 0.000 A 113 LYS N N 15 119.219 0.000 A 114 ASP H H 1 9.014 0.000 A 114 ASP HA H 1 4.381 0.000 A 114 ASP HBx H 1 2.684 0.000 A 114 ASP HBy H 1 3.127 0.000 A 114 ASP C C 13 176.342 0.000 A 114 ASP CA C 13 55.375 0.000 A 114 ASP CB C 13 39.383 0.000 A 114 ASP N N 15 121.099 0.000 A 115 CYS H H 1 8.842 0.000 A 115 CYS HA H 1 5.698 0.000 A 115 CYS HBx H 1 2.633 0.000 A 115 CYS HBy H 1 3.059 0.000 A 115 CYS C C 13 174.820 0.000 A 115 CYS CA C 13 55.744 0.000 A 115 CYS CB C 13 46.532 0.000 A 115 CYS N N 15 118.861 0.000 A 116 LYS H H 1 9.106 0.000 A 116 LYS HA H 1 4.854 0.000 A 116 LYS HBx H 1 1.811 0.000 A 116 LYS HBy H 1 1.966 0.000 A 116 LYS HDx H 1 1.803 0.000 A 116 LYS HDy H 1 1.803 0.000 A 116 LYS HEx H 1 3.040 0.000 A 116 LYS HEy H 1 3.042 0.000 A 116 LYS HGx H 1 1.543 0.000 A 116 LYS HGy H 1 1.543 0.000 A 116 LYS C C 13 175.561 0.000 A 116 LYS CA C 13 54.565 0.000 A 116 LYS CB C 13 37.172 0.000 A 116 LYS CD C 13 28.889 0.000 A 116 LYS CE C 13 41.998 0.000 A 116 LYS CG C 13 24.429 0.000 A 116 LYS N N 15 122.107 0.000 A 117 LEU H H 1 8.635 0.000 A 117 LEU HA H 1 4.115 0.000 A 117 LEU HBx H 1 1.461 0.000 A 117 LEU HBy H 1 1.589 0.000 A 117 LEU HDx% H 1 0.760 0.000 A 117 LEU HDy% H 1 0.629 0.000 A 117 LEU HG H 1 1.406 0.000 A 117 LEU C C 13 176.622 0.000 A 117 LEU CA C 13 56.923 0.000 A 117 LEU CB C 13 42.847 0.000 A 117 LEU CD1 C 13 24.937 0.000 A 117 LEU CD2 C 13 24.937 0.000 A 117 LEU CG C 13 27.160 0.000 A 117 LEU N N 15 124.165 0.000 A 118 PHE H H 1 8.764 0.000 A 118 PHE HA H 1 4.631 0.000 A 118 PHE HBx H 1 2.617 0.000 A 118 PHE HBy H 1 2.731 0.000 A 118 PHE HDx H 1 7.013 0.000 A 118 PHE HDy H 1 7.013 0.000 A 118 PHE C C 13 173.078 0.000 A 118 PHE CA C 13 57.807 0.000 A 118 PHE CB C 13 40.931 0.000 A 118 PHE CDx C 13 131.677 0.000 A 118 PHE CDy C 13 131.677 0.000 A 118 PHE N N 15 127.062 0.000 A 119 LYS H H 1 7.324 0.000 A 119 LYS HA H 1 3.831 0.000 A 119 LYS HBx H 1 1.520 0.000 A 119 LYS HBy H 1 1.624 0.000 A 119 LYS HDx H 1 1.559 0.000 A 119 LYS HDy H 1 1.559 0.000 A 119 LYS HEx H 1 2.878 0.000 A 119 LYS HEy H 1 2.878 0.000 A 119 LYS HGx H 1 1.185 0.000 A 119 LYS HGy H 1 1.185 0.000 A 119 LYS C C 13 179.806 0.000 A 119 LYS CA C 13 58.029 0.000 A 119 LYS CB C 13 34.372 0.000 A 119 LYS CD C 13 29.162 0.000 A 119 LYS CE C 13 41.907 0.000 A 119 LYS CG C 13 24.520 0.000 A 119 LYS N N 15 130.601 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 26 PHE HBx A 26 PHE HDy 1.0 1.738 3.368 2 1 A 26 PHE HBx A 26 PHE HDx 1.0 1.738 3.368 3 2 A 84 LYS H A 92 PHE H 1.0 1.825 3.813 4 3 A 21 HIS H A 20 ALA H 1.0 1.755 3.443 5 4 A 114 ASP HBx A 114 ASP HBy 1.0 1.439 2.325 6 5 A 114 ASP HBx A 80 PRO HBx 1.0 1.733 3.345 7 5 A 114 ASP HBx A 80 PRO HBy 1.0 1.733 3.345 8 6 A 114 ASP HBx A 81 PHE HDy 1.0 1.697 3.187 9 6 A 114 ASP HBx A 81 PHE HDx 1.0 1.697 3.187 10 7 A 12 VAL H A 13 ARG H 1.0 1.685 3.141 11 8 A 27 TYR HBy A 89 LEU HDy% 1.0 1.766 3.496 12 8 A 89 LEU HDy% A 27 TYR HBx 1.0 1.766 3.496 13 9 A 51 PHE H A 50 GLY H 1.0 1.661 3.045 14 10 A 30 ASN H A 31 GLY H 1.0 1.896 4.276 15 11 A 72 VAL H A 52 CYS H 1.0 1.821 3.785 16 12 A 94 CYS H A 82 ILE H 1.0 1.880 4.162 17 13 A 82 ILE H A 114 ASP H 1.0 1.871 4.097 18 14 A 82 ILE H A 83 ILE H 1.0 1.895 4.271 19 15 A 114 ASP HBy A 114 ASP HA 1.0 1.686 3.144 20 16 A 119 LYS H A 118 PHE H 1.0 1.837 3.875 21 17 A 51 PHE H A 48 ALA H 1.0 1.791 3.623 22 18 A 16 LEU H A 17 LEU H 1.0 1.775 3.545 23 19 A 17 LEU H A 18 GLU H 1.0 1.750 3.418 24 20 A 90 VAL H A 89 LEU H 1.0 1.737 3.359 25 21 A 47 GLU H A 46 LYS H 1.0 1.581 2.759 26 22 A 89 LEU H A 88 ASN H 1.0 1.653 3.015 27 23 A 23 MET H A 24 GLU H 1.0 1.800 3.668 28 24 A 83 ILE H A 71 ALA H 1.0 1.869 4.079 29 25 A 9 ILE H A 10 ASN H 1.0 1.733 3.345 30 26 A 7 ALA H A 6 LYS H 1.0 1.770 3.518 31 27 A 6 LYS H A 5 GLU H 1.0 1.730 3.330 32 28 A 105 LEU H A 104 GLY H 1.0 1.812 3.736 33 29 A 104 GLY H A 103 ASP H 1.0 1.838 3.882 34 30 A 52 CYS H A 74 ILE H 1.0 1.871 4.099 35 31 A 16 LEU H A 15 ALA H 1.0 1.667 3.069 36 32 A 12 VAL H A 11 ALA H 1.0 1.681 3.125 37 33 A 88 ASN HBx A 88 ASN HA 1.0 1.699 3.199 38 34 A 79 ASN H A 77 ASP H 1.0 1.825 3.807 39 35 A 48 ALA H A 53 ILE H 1.0 1.893 4.261 40 36 A 7 ALA H A 8 LYS H 1.0 1.709 3.237 41 37 A 88 ASN HBx A 88 ASN HBy 1.0 1.423 2.279 42 38 A 23 MET H A 22 PHE H 1.0 1.754 3.438 43 39 A 18 GLU H A 19 ASN H 1.0 1.709 3.239 44 40 A 21 HIS H A 22 PHE H 1.0 1.734 3.350 45 41 A 10 ASN H A 11 ALA H 1.0 1.698 3.196 46 42 A 90 VAL H A 86 ASN H 1.0 1.856 3.996 47 43 A 105 LEU H A 106 ASP H 1.0 1.885 4.199 48 44 A 13 ARG H A 14 ALA H 1.0 1.751 3.425 49 45 A 16 LEU H A 14 ALA H 1.0 1.877 4.135 50 46 A 48 ALA H A 47 GLU H 1.0 1.888 4.220 51 47 A 9 ILE H A 8 LYS H 1.0 1.695 3.179 52 48 A 10 ASN HBx A 10 ASN HBy 1.0 1.449 2.353 53 49 A 28 LEU H A 29 GLN H 1.0 1.879 4.153 54 50 A 45 ILE HB A 45 ILE HG12 1.0 1.690 3.164 55 51 A 74 ILE HB A 74 ILE HG12 1.0 1.687 3.145 56 51 A 74 ILE HB A 74 ILE HG13 1.0 1.687 3.145 57 52 A 10 ASN HBx A 7 ALA HA 1.0 1.733 3.341 58 53 A 81 PHE HEx A 5 GLU HGx 1.0 1.732 3.340 59 53 A 81 PHE HEy A 5 GLU HGx 1.0 1.732 3.340 60 53 A 5 GLU HGy A 81 PHE HEy 1.0 1.732 3.340 61 53 A 5 GLU HGy A 81 PHE HEx 1.0 1.732 3.340 62 54 A 5 GLU HGx A 5 GLU HBy 1.0 1.557 2.679 63 54 A 5 GLU HGy A 5 GLU HBy 1.0 1.557 2.679 64 55 A 23 MET H A 22 PHE HDy 1.0 1.802 3.680 65 55 A 23 MET H A 22 PHE HDx 1.0 1.802 3.680 66 56 A 22 PHE H A 22 PHE HDy 1.0 1.820 3.782 67 56 A 22 PHE H A 22 PHE HDx 1.0 1.820 3.782 68 57 A 89 LEU HBx A 89 LEU HA 1.0 1.764 3.492 69 58 A 73 ALA H A 51 PHE HEy 1.0 1.878 4.142 70 58 A 73 ALA H A 51 PHE HEx 1.0 1.878 4.142 71 59 A 106 ASP H A 107 TYR H 1.0 1.749 3.419 72 60 A 116 LYS HBx A 116 LYS HBy 1.0 1.393 2.201 73 61 A 116 LYS HBx A 116 LYS HGx 1.0 1.580 2.754 74 61 A 116 LYS HBx A 116 LYS HGy 1.0 1.580 2.754 75 62 A 81 PHE HDy A 81 PHE H 1.0 1.830 3.836 76 62 A 81 PHE HDx A 81 PHE H 1.0 1.830 3.836 77 63 A 116 LYS HBy A 116 LYS HA 1.0 1.737 3.363 78 64 A 51 PHE H A 51 PHE HDy 1.0 1.724 3.304 79 64 A 51 PHE H A 51 PHE HDx 1.0 1.724 3.304 80 65 A 116 LYS HBy A 93 ILE HG12 1.0 1.552 2.660 81 66 A 113 LYS HBy A 76 LYS HGx 1.0 1.749 3.417 82 66 A 113 LYS HBy A 76 LYS HGy 1.0 1.749 3.417 83 67 A 89 LEU HA A 89 LEU HBy 1.0 1.766 3.496 84 68 A 89 LEU HBx A 89 LEU HBy 1.0 1.563 2.699 85 69 A 52 CYS H A 71 ALA HA 1.0 1.891 4.241 86 70 A 72 VAL H A 71 ALA HA 1.0 1.644 2.980 87 71 A 95 LYS H A 94 CYS HA 1.0 1.696 3.188 88 72 A 66 LYS HBx A 66 LYS HBy 1.0 1.393 2.201 89 73 A 66 LYS HBx A 66 LYS HGx 1.0 1.537 2.613 90 73 A 66 LYS HBx A 66 LYS HGy 1.0 1.537 2.613 91 74 A 116 LYS H A 115 CYS HA 1.0 1.655 3.023 92 75 A 95 LYS H A 115 CYS HA 1.0 1.834 3.862 93 76 A 84 LYS H A 84 LYS HA 1.0 1.841 3.905 94 77 A 71 ALA H A 84 LYS HA 1.0 1.888 4.218 95 78 A 24 GLU HGx A 24 GLU HGy 1.0 1.452 2.360 96 79 A 48 ALA H A 52 CYS HA 1.0 1.856 3.996 97 80 A 18 GLU HGx A 45 ILE HD1% 1.0 1.632 2.934 98 81 A 94 CYS H A 93 ILE HA 1.0 1.630 2.928 99 82 A 45 ILE HD1% A 18 GLU HGy 1.0 1.659 3.039 100 83 A 18 GLU HGy A 18 GLU HA 1.0 1.649 2.999 101 84 A 52 CYS H A 52 CYS HA 1.0 1.623 2.903 102 85 A 3 GLU HA A 3 GLU HGx 1.0 1.641 2.971 103 85 A 3 GLU HGy A 3 GLU HA 1.0 1.641 2.971 104 86 A 93 ILE HA A 93 ILE H 1.0 1.612 2.866 105 87 A 48 ALA H A 47 GLU HA 1.0 1.595 2.807 106 88 A 54 ARG H A 53 ILE HA 1.0 1.719 3.285 107 89 A 118 PHE H A 92 PHE HA 1.0 1.758 3.460 108 90 A 47 GLU HGy A 105 LEU HBx 1.0 1.621 2.895 109 90 A 47 GLU HGy A 105 LEU HBy 1.0 1.621 2.895 110 91 A 47 GLU HGy A 105 LEU HG 1.0 1.739 3.373 111 92 A 86 ASN H A 91 THR HA 1.0 1.897 4.293 112 93 A 113 LYS HBx A 113 LYS HA 1.0 1.741 3.381 113 94 A 113 LYS HBx A 113 LYS HGx 1.0 1.499 2.499 114 94 A 113 LYS HBx A 113 LYS HGy 1.0 1.499 2.499 115 95 A 53 ILE H A 47 GLU HA 1.0 1.726 3.314 116 96 A 47 GLU H A 47 GLU HA 1.0 1.771 3.521 117 97 A 12 VAL HA A 49 GLU HGx 1.0 1.749 3.417 118 97 A 49 GLU HGy A 12 VAL HA 1.0 1.749 3.417 119 98 A 49 GLU HGy A 48 ALA HB% 1.0 1.713 3.255 120 98 A 49 GLU HGx A 48 ALA HB% 1.0 1.713 3.255 121 99 A 79 ASN H A 79 ASN HA 1.0 1.736 3.356 122 100 A 45 ILE HG12 A 18 GLU HGx 1.0 1.747 3.405 123 101 A 83 ILE H A 82 ILE HA 1.0 1.705 3.221 124 102 A 95 LYS HGy A 95 LYS HBx 1.0 1.607 2.847 125 102 A 95 LYS HGx A 95 LYS HBx 1.0 1.607 2.847 126 102 A 95 LYS HBy A 95 LYS HGx 1.0 1.607 2.847 127 102 A 95 LYS HBy A 95 LYS HGy 1.0 1.607 2.847 128 103 A 95 LYS HBx A 95 LYS HEx 1.0 1.677 3.109 129 103 A 95 LYS HBx A 95 LYS HEy 1.0 1.677 3.109 130 103 A 95 LYS HBy A 95 LYS HEx 1.0 1.677 3.109 131 103 A 95 LYS HBy A 95 LYS HEy 1.0 1.677 3.109 132 104 A 116 LYS HA A 117 LEU H 1.0 1.575 2.739 133 105 A 21 HIS H A 21 HIS HA 1.0 1.758 3.460 134 106 A 119 LYS HBx A 119 LYS HGx 1.0 1.632 2.936 135 106 A 119 LYS HBx A 119 LYS HGy 1.0 1.632 2.936 136 107 A 119 LYS HBx A 119 LYS HA 1.0 1.601 2.827 137 108 A 119 LYS HGx A 119 LYS HBy 1.0 1.613 2.869 138 108 A 119 LYS HGy A 119 LYS HBy 1.0 1.613 2.869 139 109 A 119 LYS HA A 119 LYS HBy 1.0 1.593 2.797 140 110 A 76 LYS H A 75 ASP HA 1.0 1.552 2.662 141 111 A 77 ASP H A 75 ASP HA 1.0 1.794 3.638 142 112 A 114 ASP H A 113 LYS HA 1.0 1.723 3.299 143 113 A 29 GLN HGx A 29 GLN HBx 1.0 1.547 2.647 144 113 A 29 GLN HGx A 29 GLN HBy 1.0 1.547 2.647 145 114 A 113 LYS HA A 113 LYS H 1.0 1.819 3.771 146 115 A 29 GLN HBx A 29 GLN HGy 1.0 1.581 2.757 147 115 A 29 GLN HBy A 29 GLN HGy 1.0 1.581 2.757 148 116 A 29 GLN HGx A 29 GLN HGy 1.0 1.353 2.097 149 117 A 46 LYS HBx A 46 LYS HDx 1.0 1.590 2.786 150 118 A 46 LYS HBx A 46 LYS HBy 1.0 1.483 2.449 151 119 A 78 LYS HBy A 78 LYS HBx 1.0 1.351 2.091 152 120 A 78 LYS HBy A 78 LYS HA 1.0 1.620 2.892 153 121 A 6 LYS HDy A 6 LYS HBx 1.0 1.603 2.833 154 121 A 6 LYS HDx A 6 LYS HBx 1.0 1.603 2.833 155 121 A 6 LYS HBy A 6 LYS HDx 1.0 1.603 2.833 156 121 A 6 LYS HBy A 6 LYS HDy 1.0 1.603 2.833 157 122 A 30 ASN H A 30 ASN HA 1.0 1.754 3.442 158 123 A 6 LYS HBx A 6 LYS HEx 1.0 1.765 3.495 159 123 A 6 LYS HBx A 6 LYS HEy 1.0 1.765 3.495 160 123 A 6 LYS HBy A 6 LYS HEx 1.0 1.765 3.495 161 123 A 6 LYS HBy A 6 LYS HEy 1.0 1.765 3.495 162 124 A 88 ASN HBx A 90 VAL HB 1.0 1.650 3.002 163 125 A 22 PHE H A 19 ASN HA 1.0 1.874 4.114 164 126 A 76 LYS HBx A 76 LYS HBy 1.0 1.409 2.243 165 127 A 25 LYS HA A 25 LYS HBx 1.0 1.506 2.520 166 127 A 25 LYS HBy A 25 LYS HA 1.0 1.506 2.520 167 128 A 76 LYS HBx A 109 LYS HGx 1.0 1.643 2.979 168 128 A 76 LYS HBx A 109 LYS HGy 1.0 1.643 2.979 169 129 A 76 LYS HBy A 76 LYS HA 1.0 1.655 3.023 170 130 A 107 TYR H A 106 ASP HA 1.0 1.842 3.908 171 131 A 118 PHE H A 118 PHE HA 1.0 1.814 3.746 172 132 A 42 SER H A 41 PRO HA 1.0 1.542 2.632 173 133 A 119 LYS H A 118 PHE HA 1.0 1.586 2.774 174 134 A 70 LYS H A 69 LEU HA 1.0 1.709 3.237 175 135 A 54 ARG H A 54 ARG HA 1.0 1.867 4.065 176 136 A 54 ARG HA A 55 LEU H 1.0 1.798 3.664 177 137 A 105 LEU H A 105 LEU HA 1.0 1.758 3.460 178 138 A 49 GLU H A 48 ALA HA 1.0 1.610 2.856 179 139 A 48 ALA H A 48 ALA HA 1.0 1.772 3.528 180 140 A 100 SER H A 99 SER HA 1.0 1.637 2.953 181 141 A 8 LYS HEx A 8 LYS HBx 1.0 1.653 3.015 182 141 A 8 LYS HEy A 8 LYS HBx 1.0 1.653 3.015 183 141 A 8 LYS HBy A 8 LYS HEx 1.0 1.653 3.015 184 141 A 8 LYS HBy A 8 LYS HEy 1.0 1.653 3.015 185 142 A 44 PRO HBx A 44 PRO HBy 1.0 1.508 2.522 186 143 A 95 LYS H A 95 LYS HA 1.0 1.828 3.824 187 144 A 47 GLU H A 46 LYS HA 1.0 1.796 3.652 188 145 A 13 ARG H A 10 ASN HA 1.0 1.836 3.874 189 146 A 10 ASN H A 10 ASN HA 1.0 1.726 3.310 190 147 A 104 GLY H A 103 ASP HA 1.0 1.827 3.821 191 148 A 11 ALA H A 10 ASN HA 1.0 1.898 4.294 192 149 A 103 ASP H A 103 ASP HA 1.0 1.735 3.353 193 150 A 114 ASP H A 114 ASP HA 1.0 1.697 3.189 194 151 A 40 TRP HD1 A 40 TRP HBx 1.0 1.729 3.329 195 151 A 40 TRP HBy A 40 TRP HD1 1.0 1.729 3.329 196 152 A 24 GLU HGx A 24 GLU HBx 1.0 1.596 2.808 197 153 A 77 ASP H A 77 ASP HA 1.0 1.670 3.082 198 154 A 24 GLU HGx A 24 GLU HBy 1.0 1.683 3.135 199 155 A 24 GLU HBx A 24 GLU HBy 1.0 1.492 2.478 200 156 A 46 LYS H A 45 ILE HA 1.0 1.613 2.867 201 157 A 24 GLU HBy A 28 LEU HDx% 1.0 1.748 3.414 202 157 A 24 GLU HBy A 28 LEU HDy% 1.0 1.748 3.414 203 158 A 43 LEU H A 42 SER HA 1.0 1.565 2.703 204 159 A 25 LYS HGy A 25 LYS HDx 1.0 1.684 3.134 205 159 A 25 LYS HDy A 25 LYS HGy 1.0 1.684 3.134 206 160 A 5 GLU HBy A 5 GLU HBx 1.0 1.448 2.348 207 161 A 45 ILE HA A 45 ILE H 1.0 1.798 3.656 208 162 A 47 GLU H A 45 ILE HA 1.0 1.740 3.378 209 163 A 74 ILE HA A 109 LYS HDx 1.0 1.749 3.415 210 163 A 109 LYS HDy A 74 ILE HA 1.0 1.749 3.415 211 164 A 11 ALA H A 11 ALA HA 1.0 1.687 3.149 212 165 A 50 GLY H A 50 GLY HAx 1.0 1.694 3.176 213 166 A 51 PHE H A 50 GLY HAx 1.0 1.860 4.022 214 167 A 21 HIS H A 18 GLU HA 1.0 1.851 3.967 215 168 A 16 LEU H A 15 ALA HA 1.0 1.870 4.090 216 169 A 19 ASN H A 18 GLU HA 1.0 1.828 3.828 217 170 A 15 ALA H A 15 ALA HA 1.0 1.714 3.258 218 171 A 72 VAL H A 72 VAL HA 1.0 1.818 3.770 219 172 A 18 GLU HBx A 18 GLU HBy 1.0 1.458 2.376 220 173 A 7 ALA H A 7 ALA HA 1.0 1.740 3.378 221 174 A 45 ILE H A 44 PRO HA 1.0 1.846 3.932 222 175 A 18 GLU HBy A 45 ILE HG13 1.0 1.737 3.359 223 176 A 78 LYS HA A 78 LYS H 1.0 1.679 3.113 224 177 A 3 GLU HA A 3 GLU HBx 1.0 1.498 2.494 225 177 A 3 GLU HA A 3 GLU HBy 1.0 1.498 2.494 226 178 A 3 GLU HGx A 3 GLU HBy 1.0 1.391 2.195 227 178 A 3 GLU HGx A 3 GLU HBx 1.0 1.391 2.195 228 178 A 3 GLU HGy A 3 GLU HBx 1.0 1.391 2.195 229 178 A 3 GLU HGy A 3 GLU HBy 1.0 1.391 2.195 230 179 A 117 LEU H A 117 LEU HA 1.0 1.832 3.846 231 180 A 116 LYS HDy A 93 ILE HG2% 1.0 1.619 2.891 232 180 A 93 ILE HG2% A 116 LYS HDx 1.0 1.619 2.891 233 181 A 30 ASN H A 29 GLN HA 1.0 1.890 4.236 234 182 A 40 TRP HZ3 A 66 LYS HDx 1.0 1.758 3.460 235 182 A 66 LYS HDy A 40 TRP HZ3 1.0 1.758 3.460 236 183 A 93 ILE H A 117 LEU HA 1.0 1.880 4.164 237 184 A 17 LEU H A 14 ALA HA 1.0 1.829 3.831 238 185 A 9 ILE HB A 9 ILE HG12 1.0 1.624 2.908 239 185 A 9 ILE HB A 9 ILE HG13 1.0 1.624 2.908 240 186 A 15 ALA H A 14 ALA HA 1.0 1.860 4.020 241 187 A 104 GLY H A 104 GLY HAx 1.0 1.765 3.493 242 188 A 95 LYS HBx A 95 LYS HDx 1.0 1.578 2.750 243 188 A 95 LYS HBx A 95 LYS HDy 1.0 1.578 2.750 244 188 A 95 LYS HBy A 95 LYS HDx 1.0 1.578 2.750 245 188 A 95 LYS HBy A 95 LYS HDy 1.0 1.578 2.750 246 189 A 105 LEU H A 104 GLY HAx 1.0 1.833 3.853 247 190 A 49 GLU H A 49 GLU HA 1.0 1.589 2.783 248 191 A 117 LEU HDy% A 119 LYS HDx 1.0 1.760 3.466 249 191 A 119 LYS HDy A 117 LEU HDy% 1.0 1.760 3.466 250 192 A 43 LEU H A 43 LEU HA 1.0 1.827 3.823 251 193 A 100 SER H A 100 SER HBx 1.0 1.838 3.888 252 194 A 89 LEU H A 89 LEU HA 1.0 1.654 3.018 253 195 A 23 MET H A 23 MET HA 1.0 1.872 4.100 254 196 A 90 VAL H A 89 LEU HA 1.0 1.809 3.719 255 197 A 103 ASP H A 102 SER HBy 1.0 1.899 4.305 256 198 A 88 ASN H A 89 LEU HA 1.0 1.845 3.929 257 199 A 100 SER HBx A 101 CYS H 1.0 1.856 3.996 258 200 A 21 HIS HA A 21 HIS HBy 1.0 1.755 3.443 259 201 A 104 GLY H A 104 GLY HAy 1.0 1.772 3.528 260 202 A 16 LEU H A 16 LEU HA 1.0 1.795 3.647 261 203 A 76 LYS H A 76 LYS HA 1.0 1.753 3.437 262 204 A 77 ASP H A 76 LYS HA 1.0 1.835 3.863 263 205 A 105 LEU H A 104 GLY HAy 1.0 1.882 4.170 264 206 A 119 LYS H A 119 LYS HA 1.0 1.730 3.334 265 207 A 79 ASN H A 76 LYS HA 1.0 1.763 3.485 266 208 A 52 CYS H A 52 CYS HBx 1.0 1.884 4.192 267 209 A 43 LEU H A 42 SER HBx 1.0 1.768 3.506 268 209 A 43 LEU H A 42 SER HBy 1.0 1.768 3.506 269 210 A 9 ILE H A 6 LYS HA 1.0 1.849 3.951 270 211 A 83 ILE HB A 83 ILE HG12 1.0 1.545 2.639 271 211 A 83 ILE HG13 A 83 ILE HB 1.0 1.545 2.639 272 212 A 53 ILE H A 52 CYS HBx 1.0 1.764 3.490 273 213 A 6 LYS H A 6 LYS HA 1.0 1.774 3.538 274 214 A 13 ARG H A 13 ARG HA 1.0 1.766 3.498 275 215 A 100 SER H A 100 SER HBy 1.0 1.778 3.558 276 216 A 49 GLU HGx A 49 GLU HBx 1.0 1.602 2.828 277 216 A 49 GLU HGy A 49 GLU HBx 1.0 1.602 2.828 278 217 A 16 LEU H A 13 ARG HA 1.0 1.871 4.097 279 218 A 80 PRO HBx A 80 PRO HGx 1.0 1.650 3.002 280 218 A 80 PRO HBy A 80 PRO HGx 1.0 1.650 3.002 281 219 A 90 VAL H A 90 VAL HA 1.0 1.812 3.736 282 220 A 49 GLU HBx A 49 GLU HBy 1.0 1.508 2.522 283 221 A 49 GLU HGx A 49 GLU HBy 1.0 1.528 2.586 284 221 A 49 GLU HGy A 49 GLU HBy 1.0 1.528 2.586 285 222 A 28 LEU HG A 28 LEU HA 1.0 1.634 2.942 286 223 A 28 LEU HDx% A 28 LEU HG 1.0 1.402 2.226 287 223 A 28 LEU HDy% A 28 LEU HG 1.0 1.402 2.226 288 224 A 21 HIS H A 21 HIS HBx 1.0 1.607 2.849 289 225 A 17 LEU HG A 17 LEU HA 1.0 1.755 3.445 290 226 A 52 CYS H A 51 PHE HBx 1.0 1.741 3.377 291 227 A 53 ILE HG2% A 53 ILE HG12 1.0 1.547 2.647 292 227 A 53 ILE HG13 A 53 ILE HG2% 1.0 1.547 2.647 293 228 A 74 ILE H A 73 ALA HA 1.0 1.632 2.936 294 229 A 93 ILE HG12 A 93 ILE HG13 1.0 1.428 2.296 295 230 A 22 PHE H A 22 PHE HBy 1.0 1.649 3.001 296 231 A 79 ASN H A 80 PRO HDy 1.0 1.847 3.941 297 232 A 101 CYS H A 101 CYS HBx 1.0 1.804 3.692 298 233 A 13 ARG H A 12 VAL HA 1.0 1.830 3.838 299 234 A 72 VAL H A 51 PHE HBx 1.0 1.877 4.135 300 235 A 16 LEU HG A 71 ALA HB% 1.0 1.731 3.335 301 236 A 94 CYS H A 94 CYS HBx 1.0 1.858 4.010 302 237 A 15 ALA H A 12 VAL HA 1.0 1.894 4.258 303 238 A 89 LEU HBx A 89 LEU HG 1.0 1.600 2.820 304 239 A 117 LEU HA A 117 LEU HG 1.0 1.730 3.328 305 240 A 27 TYR HBx A 28 LEU H 1.0 1.892 4.248 306 240 A 27 TYR HBy A 28 LEU H 1.0 1.892 4.248 307 241 A 9 ILE H A 9 ILE HA 1.0 1.728 3.320 308 242 A 5 GLU H A 4 PHE HBx 1.0 1.733 3.345 309 243 A 45 ILE HG12 A 45 ILE HA 1.0 1.747 3.407 310 244 A 45 ILE HG12 A 45 ILE HG13 1.0 1.464 2.392 311 245 A 100 SER H A 99 SER HBy 1.0 1.879 4.151 312 246 A 40 TRP HBx A 40 TRP H 1.0 1.827 3.819 313 246 A 40 TRP HBy A 40 TRP H 1.0 1.827 3.819 314 247 A 43 LEU H A 46 LYS HEx 1.0 1.880 4.164 315 247 A 43 LEU H A 46 LYS HEy 1.0 1.880 4.164 316 248 A 95 LYS H A 95 LYS HEx 1.0 1.766 3.496 317 248 A 95 LYS H A 95 LYS HEy 1.0 1.766 3.496 318 249 A 6 LYS HBx A 6 LYS HGx 1.0 1.520 2.560 319 249 A 6 LYS HBy A 6 LYS HGx 1.0 1.520 2.560 320 250 A 81 PHE H A 81 PHE HBx 1.0 1.824 3.802 321 251 A 90 VAL H A 88 ASN HBx 1.0 1.891 4.247 322 252 A 88 ASN H A 88 ASN HBx 1.0 1.782 3.580 323 253 A 20 ALA H A 19 ASN HBx 1.0 1.862 4.036 324 254 A 19 ASN HBx A 16 LEU HDx% 1.0 1.709 3.239 325 255 A 16 LEU HDx% A 85 MET HGx 1.0 1.538 2.616 326 255 A 16 LEU HDx% A 85 MET HGy 1.0 1.538 2.616 327 256 A 16 LEU HA A 16 LEU HDx% 1.0 1.673 3.091 328 257 A 94 CYS H A 94 CYS HBy 1.0 1.879 4.153 329 258 A 95 LYS H A 94 CYS HBy 1.0 1.893 4.251 330 259 A 16 LEU HDx% A 85 MET HBx 1.0 1.413 2.253 331 259 A 16 LEU HDx% A 85 MET HBy 1.0 1.413 2.253 332 260 A 11 ALA H A 10 ASN HBx 1.0 1.784 3.588 333 261 A 92 PHE H A 92 PHE HBx 1.0 1.881 4.163 334 262 A 25 LYS HA A 25 LYS HGx 1.0 1.713 3.255 335 263 A 113 LYS H A 112 ASP HBy 1.0 1.813 3.739 336 264 A 106 ASP H A 106 ASP HBy 1.0 1.818 3.774 337 265 A 11 ALA H A 10 ASN HBy 1.0 1.825 3.807 338 266 A 107 TYR H A 106 ASP HBy 1.0 1.898 4.292 339 267 A 24 GLU H A 24 GLU HGx 1.0 1.769 3.511 340 268 A 28 LEU HDy% A 28 LEU HBy 1.0 1.374 2.150 341 268 A 28 LEU HDx% A 28 LEU HBy 1.0 1.374 2.150 342 269 A 103 ASP H A 103 ASP HBy 1.0 1.729 3.325 343 270 A 78 LYS H A 77 ASP HBx 1.0 1.715 3.265 344 271 A 92 PHE H A 92 PHE HBy 1.0 1.832 3.850 345 272 A 93 ILE H A 92 PHE HBy 1.0 1.750 3.424 346 273 A 117 LEU HDy% A 92 PHE HEx 1.0 1.726 3.314 347 273 A 117 LEU HDy% A 92 PHE HEy 1.0 1.726 3.314 348 274 A 117 LEU HDy% A 117 LEU HG 1.0 1.433 2.309 349 275 A 90 VAL H A 88 ASN HBy 1.0 1.893 4.259 350 276 A 52 CYS H A 51 PHE HBy 1.0 1.855 3.987 351 277 A 51 PHE H A 51 PHE HBy 1.0 1.800 3.670 352 278 A 78 LYS HA A 78 LYS HGx 1.0 1.687 3.147 353 278 A 78 LYS HA A 78 LYS HGy 1.0 1.687 3.147 354 279 A 88 ASN H A 88 ASN HBy 1.0 1.720 3.290 355 280 A 24 GLU H A 24 GLU HBx 1.0 1.708 3.234 356 281 A 67 PHE H A 87 GLU HGx 1.0 1.874 4.120 357 282 A 89 LEU HBx A 89 LEU HDx% 1.0 1.471 2.415 358 283 A 30 ASN H A 30 ASN HBx 1.0 1.832 3.850 359 283 A 30 ASN H A 30 ASN HBy 1.0 1.832 3.850 360 284 A 49 GLU H A 49 GLU HBx 1.0 1.869 4.083 361 285 A 92 PHE HDy A 117 LEU HDx% 1.0 1.711 3.251 362 285 A 92 PHE HDx A 117 LEU HDx% 1.0 1.711 3.251 363 286 A 19 ASN H A 19 ASN HBy 1.0 1.784 3.584 364 287 A 46 LYS HEx A 46 LYS HGy 1.0 1.585 2.771 365 287 A 46 LYS HEy A 46 LYS HGy 1.0 1.585 2.771 366 288 A 79 ASN H A 79 ASN HBx 1.0 1.717 3.273 367 289 A 117 LEU HA A 117 LEU HDy% 1.0 1.673 3.093 368 290 A 117 LEU HDy% A 119 LYS HEx 1.0 1.720 3.290 369 290 A 117 LEU HDy% A 119 LYS HEy 1.0 1.720 3.290 370 291 A 18 GLU H A 18 GLU HBx 1.0 1.664 3.056 371 292 A 80 PRO HBx A 81 PHE H 1.0 1.852 3.974 372 292 A 80 PRO HBy A 81 PHE H 1.0 1.852 3.974 373 293 A 49 GLU HGx A 49 GLU H 1.0 1.806 3.702 374 293 A 49 GLU HGy A 49 GLU H 1.0 1.806 3.702 375 294 A 48 ALA H A 47 GLU HGx 1.0 1.763 3.479 376 295 A 95 LYS H A 95 LYS HBx 1.0 1.810 3.724 377 295 A 95 LYS H A 95 LYS HBy 1.0 1.810 3.724 378 296 A 89 LEU HDx% A 20 ALA HB% 1.0 1.328 2.034 379 297 A 86 ASN H A 85 MET HGx 1.0 1.801 3.677 380 297 A 86 ASN H A 85 MET HGy 1.0 1.801 3.677 381 298 A 16 LEU HA A 16 LEU HDy% 1.0 1.528 2.586 382 299 A 47 GLU HGy A 105 LEU HDx% 1.0 1.561 2.693 383 300 A 46 LYS H A 46 LYS HBx 1.0 1.795 3.639 384 301 A 71 ALA HB% A 16 LEU HDy% 1.0 1.480 2.442 385 302 A 13 ARG HA A 16 LEU HDy% 1.0 1.754 3.442 386 303 A 55 LEU HBx A 55 LEU HDy% 1.0 1.599 2.817 387 304 A 45 ILE H A 44 PRO HGx 1.0 1.770 3.516 388 305 A 55 LEU HDy% A 53 ILE HB 1.0 1.759 3.461 389 306 A 45 ILE HG12 A 55 LEU HDy% 1.0 1.684 3.134 390 307 A 53 ILE HG2% A 55 LEU HDy% 1.0 1.462 2.388 391 308 A 8 LYS HGx A 8 LYS HA 1.0 1.763 3.481 392 309 A 8 LYS HEx A 8 LYS HGx 1.0 1.670 3.080 393 309 A 8 LYS HEy A 8 LYS HGx 1.0 1.670 3.080 394 310 A 8 LYS HA A 8 LYS HGy 1.0 1.756 3.448 395 311 A 49 GLU H A 49 GLU HBy 1.0 1.844 3.918 396 312 A 89 LEU H A 23 MET HE% 1.0 1.896 4.278 397 313 A 6 LYS H A 6 LYS HBx 1.0 1.588 2.778 398 313 A 6 LYS H A 6 LYS HBy 1.0 1.588 2.778 399 314 A 83 ILE H A 82 ILE HB 1.0 1.817 3.767 400 315 A 16 LEU HDy% A 12 VAL HGy% 1.0 1.760 3.470 401 316 A 30 ASN H A 29 GLN HBx 1.0 1.776 3.548 402 316 A 30 ASN H A 29 GLN HBy 1.0 1.776 3.548 403 317 A 7 ALA H A 6 LYS HBx 1.0 1.698 3.192 404 317 A 7 ALA H A 6 LYS HBy 1.0 1.698 3.192 405 318 A 25 LYS HBx A 25 LYS H 1.0 1.718 3.278 406 318 A 25 LYS HBy A 25 LYS H 1.0 1.718 3.278 407 319 A 66 LYS HBx A 66 LYS H 1.0 1.842 3.912 408 320 A 89 LEU HDy% A 89 LEU HA 1.0 1.462 2.388 409 321 A 17 LEU H A 17 LEU HBx 1.0 1.635 2.947 410 322 A 116 LYS HBy A 117 LEU H 1.0 1.798 3.660 411 323 A 22 PHE HDy A 43 LEU HDx% 1.0 1.652 3.010 412 323 A 22 PHE HDy A 43 LEU HDy% 1.0 1.652 3.010 413 323 A 22 PHE HDx A 43 LEU HDx% 1.0 1.652 3.010 414 323 A 22 PHE HDx A 43 LEU HDy% 1.0 1.652 3.010 415 324 A 43 LEU HA A 43 LEU HDy% 1.0 1.579 2.751 416 324 A 43 LEU HA A 43 LEU HDx% 1.0 1.579 2.751 417 325 A 22 PHE HBy A 43 LEU HDy% 1.0 1.701 3.205 418 325 A 22 PHE HBy A 43 LEU HDx% 1.0 1.701 3.205 419 326 A 19 ASN HBx A 43 LEU HDy% 1.0 1.759 3.467 420 326 A 19 ASN HBx A 43 LEU HDx% 1.0 1.759 3.467 421 327 A 43 LEU HDy% A 43 LEU HG 1.0 1.711 3.247 422 327 A 43 LEU HDx% A 43 LEU HG 1.0 1.711 3.247 423 328 A 43 LEU HDx% A 43 LEU HBy 1.0 1.516 2.548 424 328 A 43 LEU HDx% A 43 LEU HBx 1.0 1.516 2.548 425 328 A 43 LEU HDy% A 43 LEU HBy 1.0 1.516 2.548 426 328 A 43 LEU HDy% A 43 LEU HBx 1.0 1.516 2.548 427 329 A 45 ILE HG12 A 43 LEU HDy% 1.0 1.623 2.907 428 329 A 45 ILE HG12 A 43 LEU HDx% 1.0 1.623 2.907 429 330 A 45 ILE HD1% A 43 LEU HDy% 1.0 1.562 2.694 430 330 A 45 ILE HD1% A 43 LEU HDx% 1.0 1.562 2.694 431 331 A 90 VAL H A 90 VAL HB 1.0 1.691 3.165 432 332 A 92 PHE HEy A 90 VAL HGy% 1.0 1.694 3.176 433 332 A 92 PHE HEx A 90 VAL HGy% 1.0 1.694 3.176 434 333 A 117 LEU HG A 90 VAL HGy% 1.0 1.681 3.123 435 334 A 54 ARG H A 54 ARG HBx 1.0 1.867 4.073 436 334 A 54 ARG H A 54 ARG HBy 1.0 1.867 4.073 437 335 A 9 ILE HA A 12 VAL HGx% 1.0 1.697 3.187 438 336 A 12 VAL HGx% A 12 VAL HB 1.0 1.475 2.427 439 337 A 66 LYS HBy A 66 LYS H 1.0 1.730 3.328 440 338 A 12 VAL HGx% A 83 ILE HD1% 1.0 1.581 2.757 441 339 A 51 PHE HDy A 12 VAL HGx% 1.0 1.658 3.036 442 339 A 51 PHE HDx A 12 VAL HGx% 1.0 1.658 3.036 443 340 A 49 GLU HBx A 12 VAL HGx% 1.0 1.644 2.980 444 341 A 43 LEU H A 43 LEU HBx 1.0 1.668 3.074 445 341 A 43 LEU H A 43 LEU HBy 1.0 1.668 3.074 446 342 A 49 GLU HBy A 12 VAL HGx% 1.0 1.512 2.536 447 343 A 12 VAL HGx% A 11 ALA HB% 1.0 1.548 2.650 448 344 A 76 LYS H A 109 LYS HBx 1.0 1.645 2.983 449 344 A 76 LYS H A 109 LYS HBy 1.0 1.645 2.983 450 345 A 99 SER HBy A 72 VAL HGy% 1.0 1.708 3.236 451 346 A 72 VAL HA A 72 VAL HGy% 1.0 1.611 2.863 452 347 A 72 VAL HGy% A 84 LYS HEy 1.0 1.717 3.273 453 348 A 72 VAL HGy% A 72 VAL HB 1.0 1.546 2.644 454 349 A 72 VAL HGy% A 84 LYS HDy 1.0 1.695 3.179 455 349 A 72 VAL HGy% A 84 LYS HDx 1.0 1.695 3.179 456 350 A 79 ASN H A 78 LYS HBy 1.0 1.721 3.293 457 351 A 78 LYS HBy A 78 LYS H 1.0 1.599 2.819 458 352 A 6 LYS H A 6 LYS HGx 1.0 1.762 3.478 459 353 A 74 ILE H A 74 ILE HB 1.0 1.633 2.941 460 354 A 90 VAL HB A 90 VAL HGy% 1.0 1.444 2.338 461 355 A 117 LEU HDy% A 90 VAL HGy% 1.0 1.520 2.562 462 356 A 118 PHE H A 93 ILE HG12 1.0 1.849 3.955 463 357 A 89 LEU H A 89 LEU HBy 1.0 1.873 4.109 464 358 A 38 THR HG2% A 62 ALA HB% 1.0 1.619 2.891 465 359 A 66 LYS HGy A 38 THR HG2% 1.0 1.566 2.708 466 359 A 66 LYS HGx A 38 THR HG2% 1.0 1.566 2.708 467 360 A 7 ALA H A 7 ALA HB% 1.0 1.555 2.671 468 361 A 11 ALA H A 11 ALA HB% 1.0 1.507 2.523 469 362 A 88 ASN HBy A 90 VAL HGx% 1.0 1.553 2.665 470 363 A 90 VAL HGy% A 90 VAL HGx% 1.0 1.314 2.002 471 364 A 88 ASN HBx A 90 VAL HGx% 1.0 1.547 2.647 472 365 A 90 VAL HB A 90 VAL HGx% 1.0 1.396 2.208 473 366 A 62 ALA HB% A 40 TRP HH2 1.0 1.648 2.998 474 367 A 62 ALA HB% A 40 TRP HZ2 1.0 1.612 2.864 475 368 A 62 ALA HB% A 62 ALA HA 1.0 1.760 3.470 476 369 A 62 ALA HB% A 59 ALA HA 1.0 1.628 2.922 477 370 A 10 ASN H A 9 ILE HB 1.0 1.648 2.994 478 371 A 62 ALA HB% A 59 ALA HB% 1.0 1.744 3.394 479 372 A 91 THR HG2% A 118 PHE HDy 1.0 1.654 3.016 480 372 A 91 THR HG2% A 118 PHE HDx 1.0 1.654 3.016 481 373 A 9 ILE H A 9 ILE HB 1.0 1.548 2.648 482 374 A 91 THR HG2% A 91 THR HB 1.0 1.509 2.529 483 375 A 91 THR HG2% A 118 PHE HBx 1.0 1.586 2.772 484 376 A 91 THR HA A 91 THR HG2% 1.0 1.587 2.779 485 377 A 91 THR HG2% A 13 ARG HDx 1.0 1.758 3.460 486 377 A 91 THR HG2% A 13 ARG HDy 1.0 1.758 3.460 487 378 A 91 THR HG2% A 83 ILE HG2% 1.0 1.440 2.328 488 379 A 91 THR HG2% A 93 ILE HD1% 1.0 1.632 2.934 489 380 A 91 THR HG2% A 9 ILE HG2% 1.0 1.705 3.221 490 381 A 72 VAL HA A 82 ILE HG2% 1.0 1.683 3.131 491 382 A 82 ILE HG2% A 82 ILE HG12 1.0 1.583 2.765 492 383 A 72 VAL HGy% A 82 ILE HG2% 1.0 1.583 2.765 493 384 A 109 LYS HEx A 72 VAL HGx% 1.0 1.569 2.717 494 384 A 109 LYS HEy A 72 VAL HGx% 1.0 1.569 2.717 495 385 A 72 VAL HB A 72 VAL HGx% 1.0 1.453 2.361 496 386 A 72 VAL HGy% A 72 VAL HGx% 1.0 1.451 2.359 497 387 A 51 PHE HDy A 12 VAL HGy% 1.0 1.762 3.478 498 387 A 51 PHE HDx A 12 VAL HGy% 1.0 1.762 3.478 499 388 A 16 LEU H A 15 ALA HB% 1.0 1.745 3.395 500 389 A 12 VAL HGy% A 12 VAL HB 1.0 1.469 2.407 501 390 A 45 ILE H A 45 ILE HG13 1.0 1.750 3.424 502 391 A 71 ALA HB% A 12 VAL HGy% 1.0 1.445 2.341 503 392 A 83 ILE HG13 A 12 VAL HGy% 1.0 1.729 3.323 504 392 A 83 ILE HG12 A 12 VAL HGy% 1.0 1.729 3.323 505 393 A 12 VAL HGy% A 83 ILE HG2% 1.0 1.474 2.424 506 394 A 12 VAL HGy% A 83 ILE HD1% 1.0 1.503 2.511 507 395 A 51 PHE HEx A 73 ALA HB% 1.0 1.708 3.238 508 395 A 51 PHE HEy A 73 ALA HB% 1.0 1.708 3.238 509 396 A 51 PHE HDx A 73 ALA HB% 1.0 1.733 3.343 510 396 A 51 PHE HDy A 73 ALA HB% 1.0 1.733 3.343 511 397 A 71 ALA H A 84 LYS HDx 1.0 1.721 3.293 512 397 A 71 ALA H A 84 LYS HDy 1.0 1.721 3.293 513 398 A 76 LYS HA A 73 ALA HB% 1.0 1.517 2.551 514 399 A 73 ALA HA A 73 ALA HB% 1.0 1.483 2.449 515 400 A 79 ASN HBx A 73 ALA HB% 1.0 1.485 2.455 516 401 A 73 ALA HB% A 79 ASN HBy 1.0 1.529 2.589 517 402 A 93 ILE H A 93 ILE HG13 1.0 1.882 4.178 518 403 A 94 CYS H A 82 ILE HG12 1.0 1.859 4.017 519 404 A 106 ASP H A 74 ILE HG12 1.0 1.778 3.560 520 404 A 106 ASP H A 74 ILE HG13 1.0 1.778 3.560 521 405 A 76 LYS HDx A 98 ALA HB% 1.0 1.713 3.255 522 405 A 76 LYS HDy A 98 ALA HB% 1.0 1.713 3.255 523 406 A 12 VAL HA A 15 ALA HB% 1.0 1.602 2.826 524 407 A 15 ALA HB% A 14 ALA HB% 1.0 1.757 3.453 525 408 A 74 ILE H A 74 ILE HG12 1.0 1.800 3.672 526 408 A 74 ILE H A 74 ILE HG13 1.0 1.800 3.672 527 409 A 12 VAL HGy% A 15 ALA HB% 1.0 1.712 3.254 528 410 A 92 PHE H A 91 THR HG2% 1.0 1.733 3.345 529 411 A 84 LYS H A 91 THR HG2% 1.0 1.877 4.141 530 412 A 49 GLU HGy A 15 ALA HB% 1.0 1.682 3.128 531 412 A 49 GLU HGx A 15 ALA HB% 1.0 1.682 3.128 532 413 A 45 ILE HB A 15 ALA HB% 1.0 1.693 3.173 533 414 A 53 ILE HD1% A 45 ILE HG2% 1.0 1.588 2.778 534 415 A 83 ILE HG2% A 83 ILE HA 1.0 1.551 2.659 535 416 A 19 ASN H A 45 ILE HD1% 1.0 1.858 4.008 536 417 A 16 LEU HG A 83 ILE HG2% 1.0 1.619 2.887 537 418 A 71 ALA HB% A 83 ILE HG2% 1.0 1.525 2.575 538 419 A 89 LEU HDy% A 89 LEU H 1.0 1.691 3.165 539 420 A 21 HIS H A 17 LEU HDy% 1.0 1.852 3.976 540 420 A 21 HIS H A 17 LEU HDx% 1.0 1.852 3.976 541 421 A 83 ILE H A 83 ILE HG12 1.0 1.766 3.498 542 421 A 83 ILE H A 83 ILE HG13 1.0 1.766 3.498 543 422 A 90 VAL HGx% A 91 THR H 1.0 1.840 3.900 544 423 A 23 MET HE% A 23 MET HGy 1.0 1.685 3.141 545 423 A 23 MET HE% A 23 MET HGx 1.0 1.685 3.141 546 424 A 23 MET HE% A 85 MET HE% 1.0 1.522 2.566 547 425 A 85 MET HBy A 23 MET HE% 1.0 1.485 2.457 548 425 A 85 MET HBx A 23 MET HE% 1.0 1.485 2.457 549 426 A 23 MET HE% A 23 MET HBy 1.0 1.473 2.421 550 426 A 23 MET HE% A 23 MET HBx 1.0 1.473 2.421 551 427 A 89 LEU HDx% A 23 MET HE% 1.0 1.413 2.255 552 428 A 93 ILE H A 93 ILE HG2% 1.0 1.801 3.679 553 429 A 52 CYS H A 74 ILE HD1% 1.0 1.811 3.729 554 430 A 49 GLU HBx A 11 ALA HB% 1.0 1.633 2.939 555 431 A 74 ILE H A 74 ILE HD1% 1.0 1.655 3.025 556 432 A 73 ALA HB% A 75 ASP H 1.0 1.658 3.036 557 433 A 76 LYS H A 73 ALA HB% 1.0 1.861 4.031 558 434 A 79 ASN H A 73 ALA HB% 1.0 1.821 3.785 559 435 A 70 LYS H A 16 LEU HDx% 1.0 1.792 3.628 560 436 A 48 ALA H A 74 ILE HD1% 1.0 1.883 4.183 561 437 A 74 ILE HG13 A 74 ILE HG2% 1.0 1.448 2.350 562 437 A 74 ILE HG12 A 74 ILE HG2% 1.0 1.448 2.350 563 438 A 84 LYS H A 83 ILE HG2% 1.0 1.736 3.358 564 439 A 13 ARG H A 83 ILE HG2% 1.0 1.855 3.995 565 440 A 54 ARG H A 53 ILE HG2% 1.0 1.740 3.376 566 441 A 83 ILE H A 83 ILE HG2% 1.0 1.867 4.067 567 442 A 43 LEU H A 43 LEU HDy% 1.0 1.698 3.194 568 442 A 43 LEU H A 43 LEU HDx% 1.0 1.698 3.194 569 443 A 23 MET H A 43 LEU HDy% 1.0 1.857 4.007 570 443 A 23 MET H A 43 LEU HDx% 1.0 1.857 4.007 571 444 A 19 ASN H A 43 LEU HDx% 1.0 1.849 3.953 572 444 A 19 ASN H A 43 LEU HDy% 1.0 1.849 3.953 573 445 A 47 GLU H A 53 ILE HD1% 1.0 1.878 4.146 574 446 A 74 ILE HB A 74 ILE HG2% 1.0 1.353 2.095 575 447 A 81 PHE HDy A 93 ILE HG2% 1.0 1.626 2.914 576 447 A 81 PHE HDx A 93 ILE HG2% 1.0 1.626 2.914 577 448 A 90 VAL H A 90 VAL HGy% 1.0 1.815 3.751 578 449 A 16 LEU H A 12 VAL HGy% 1.0 1.890 4.232 579 450 A 12 VAL H A 12 VAL HGx% 1.0 1.602 2.832 580 451 A 11 ALA H A 12 VAL HGx% 1.0 1.879 4.149 581 452 A 9 ILE H A 9 ILE HD1% 1.0 1.774 3.538 582 453 A 72 VAL H A 72 VAL HGy% 1.0 1.817 3.763 583 454 A 73 ALA H A 72 VAL HGy% 1.0 1.862 4.036 584 455 A 10 ASN H A 9 ILE HG2% 1.0 1.856 4.000 585 456 A 40 TRP HZ3 A 68 MET HE% 1.0 1.732 3.340 586 457 A 68 MET HE% A 22 PHE HEy 1.0 1.691 3.165 587 457 A 68 MET HE% A 22 PHE HEx 1.0 1.691 3.165 588 458 A 86 ASN H A 86 ASN HBy 1.0 1.898 4.292 589 459 A 13 ARG H A 11 ALA H 1.0 1.907 4.369 590 460 A 94 CYS HA A 116 LYS H 1.0 1.816 3.760 591 461 A 6 LYS HA A 9 ILE HG2% 1.0 1.764 3.488 592 462 A 9 ILE HA A 9 ILE HG2% 1.0 1.598 2.818 593 463 A 9 ILE HB A 9 ILE HG2% 1.0 1.427 2.291 594 464 A 93 ILE HG2% A 9 ILE HG2% 1.0 1.683 3.131 595 465 A 83 ILE HG2% A 9 ILE HG2% 1.0 1.621 2.899 596 466 A 14 ALA H A 11 ALA HA 1.0 1.799 3.661 597 467 A 9 ILE HG2% A 9 ILE HD1% 1.0 1.474 2.424 598 468 A 23 MET H A 19 ASN HA 1.0 1.859 4.019 599 469 A 113 LYS HEx A 82 ILE HD1% 1.0 1.698 3.192 600 469 A 113 LYS HEy A 82 ILE HD1% 1.0 1.698 3.192 601 470 A 24 GLU H A 25 LYS H 1.0 1.805 3.697 602 471 A 84 LYS HEy A 82 ILE HD1% 1.0 1.715 3.267 603 472 A 82 ILE HB A 82 ILE HD1% 1.0 1.635 2.949 604 473 A 98 ALA HB% A 82 ILE HD1% 1.0 1.638 2.962 605 474 A 82 ILE HD1% A 82 ILE HG13 1.0 1.550 2.654 606 475 A 82 ILE HG12 A 82 ILE HD1% 1.0 1.531 2.595 607 476 A 82 ILE HG2% A 82 ILE HD1% 1.0 1.556 2.676 608 477 A 72 VAL HGy% A 82 ILE HD1% 1.0 1.700 3.202 609 478 A 88 ASN H A 87 GLU H 1.0 1.883 4.181 610 479 A 81 PHE HEy A 83 ILE HD1% 1.0 1.690 3.162 611 479 A 81 PHE HEx A 83 ILE HD1% 1.0 1.690 3.162 612 480 A 51 PHE HDx A 83 ILE HD1% 1.0 1.703 3.215 613 480 A 51 PHE HDy A 83 ILE HD1% 1.0 1.703 3.215 614 481 A 9 ILE HA A 83 ILE HD1% 1.0 1.565 2.705 615 482 A 83 ILE HD1% A 13 ARG HBx 1.0 1.765 3.493 616 482 A 83 ILE HD1% A 13 ARG HBy 1.0 1.765 3.493 617 483 A 10 ASN H A 10 ASN HBx 1.0 1.755 3.443 618 484 A 83 ILE HB A 83 ILE HD1% 1.0 1.427 2.291 619 485 A 71 ALA HB% A 83 ILE HD1% 1.0 1.622 2.902 620 486 A 83 ILE HG13 A 83 ILE HD1% 1.0 1.548 2.650 621 486 A 83 ILE HG12 A 83 ILE HD1% 1.0 1.548 2.650 622 487 A 83 ILE HD1% A 83 ILE HG2% 1.0 1.464 2.394 623 488 A 83 ILE HD1% A 9 ILE HG2% 1.0 1.612 2.864 624 489 A 47 GLU HA A 53 ILE HD1% 1.0 1.648 2.996 625 490 A 45 ILE HB A 53 ILE HD1% 1.0 1.736 3.356 626 491 A 15 ALA HB% A 53 ILE HD1% 1.0 1.452 2.362 627 492 A 48 ALA HB% A 53 ILE HD1% 1.0 1.439 2.323 628 493 A 95 LYS HBx A 96 LYS H 1.0 1.907 4.375 629 493 A 95 LYS HBy A 96 LYS H 1.0 1.907 4.375 630 494 A 12 VAL HGy% A 53 ILE HD1% 1.0 1.676 3.102 631 495 A 107 TYR H A 107 TYR HA 1.0 1.909 4.387 632 496 A 59 ALA HA A 59 ALA HB% 1.0 1.664 3.058 633 497 A 45 ILE HG12 A 45 ILE HD1% 1.0 1.449 2.353 634 498 A 74 ILE HD1% A 101 CYS HBy 1.0 1.754 3.438 635 499 A 74 ILE HB A 74 ILE HD1% 1.0 1.331 2.041 636 500 A 74 ILE HD1% A 52 CYS HBy 1.0 1.719 3.281 637 501 A 47 GLU HGx A 74 ILE HD1% 1.0 1.633 2.943 638 502 A 74 ILE HG13 A 74 ILE HD1% 1.0 1.516 2.550 639 502 A 74 ILE HG12 A 74 ILE HD1% 1.0 1.516 2.550 640 503 A 93 ILE HD1% A 9 ILE HD1% 1.0 1.615 2.875 641 504 A 6 LYS HA A 9 ILE HD1% 1.0 1.597 2.813 642 505 A 5 GLU HBy A 9 ILE HD1% 1.0 1.683 3.133 643 506 A 9 ILE HB A 9 ILE HD1% 1.0 1.402 2.222 644 507 A 93 ILE HG2% A 9 ILE HD1% 1.0 1.511 2.533 645 508 A 9 ILE HG12 A 9 ILE HD1% 1.0 1.416 2.260 646 508 A 9 ILE HG13 A 9 ILE HD1% 1.0 1.416 2.260 647 509 A 45 ILE HD1% A 15 ALA HA 1.0 1.559 2.685 648 510 A 45 ILE HD1% A 18 GLU HBx 1.0 1.554 2.668 649 511 A 45 ILE HD1% A 18 GLU HBy 1.0 1.522 2.566 650 512 A 45 ILE HB A 45 ILE HD1% 1.0 1.535 2.607 651 513 A 74 ILE HA A 74 ILE HD1% 1.0 1.654 3.018 652 514 A 118 PHE HDy A 93 ILE HD1% 1.0 1.654 3.020 653 514 A 118 PHE HDx A 93 ILE HD1% 1.0 1.654 3.020 654 515 A 93 ILE HG12 A 93 ILE HD1% 1.0 1.465 2.399 655 516 A 93 ILE HG13 A 93 ILE HD1% 1.0 1.567 2.711 656 517 A 93 ILE HG2% A 93 ILE HD1% 1.0 1.494 2.484 657 518 A 93 ILE HD1% A 9 ILE HG2% 1.0 1.632 2.934 658 519 A 118 PHE HBx A 93 ILE HD1% 1.0 1.761 3.475 659 520 A 38 THR HB A 38 THR HA 1.0 1.642 2.974 660 521 A 38 THR HG2% A 38 THR HB 1.0 1.498 2.496 661 522 A 118 PHE HDy A 91 THR HB 1.0 1.702 3.210 662 522 A 118 PHE HDx A 91 THR HB 1.0 1.702 3.210 663 523 A 91 THR HA A 91 THR HB 1.0 1.731 3.337 664 524 A 91 THR HB A 118 PHE HBx 1.0 1.634 2.944 665 525 A 12 VAL HA A 12 VAL HB 1.0 1.696 3.186 666 526 A 100 SER HBx A 109 LYS HEx 1.0 1.765 3.493 667 526 A 100 SER HBx A 109 LYS HEy 1.0 1.765 3.493 668 527 A 100 SER HBx A 72 VAL HGx% 1.0 1.720 3.284 669 528 A 97 SER HBx A 97 SER HBy 1.0 1.529 2.587 670 529 A 100 SER HBx A 100 SER HBy 1.0 1.342 2.068 671 530 A 74 ILE HB A 74 ILE HA 1.0 1.605 2.837 672 531 A 74 ILE HG12 A 74 ILE HA 1.0 1.699 3.199 673 531 A 74 ILE HG13 A 74 ILE HA 1.0 1.699 3.199 674 532 A 74 ILE HA A 74 ILE HG2% 1.0 1.530 2.590 675 533 A 44 PRO HBx A 44 PRO HA 1.0 1.579 2.751 676 534 A 80 PRO HBx A 80 PRO HA 1.0 1.597 2.813 677 534 A 80 PRO HBy A 80 PRO HA 1.0 1.597 2.813 678 535 A 44 PRO HBy A 44 PRO HA 1.0 1.669 3.073 679 536 A 42 SER HBx A 46 LYS HEx 1.0 1.756 3.448 680 536 A 42 SER HBx A 46 LYS HEy 1.0 1.756 3.448 681 536 A 42 SER HBy A 46 LYS HEx 1.0 1.756 3.448 682 536 A 42 SER HBy A 46 LYS HEy 1.0 1.756 3.448 683 537 A 90 VAL HB A 90 VAL HA 1.0 1.697 3.191 684 538 A 90 VAL HA A 90 VAL HGy% 1.0 1.507 2.523 685 539 A 41 PRO HA A 41 PRO HBx 1.0 1.722 3.296 686 539 A 41 PRO HA A 41 PRO HBy 1.0 1.722 3.296 687 540 A 22 PHE HDy A 26 PHE HBy 1.0 1.752 3.430 688 540 A 22 PHE HDx A 26 PHE HBy 1.0 1.752 3.430 689 541 A 22 PHE HDy A 22 PHE HA 1.0 1.733 3.343 690 541 A 22 PHE HDx A 22 PHE HA 1.0 1.733 3.343 691 542 A 22 PHE HDy A 22 PHE HBy 1.0 1.702 3.210 692 542 A 22 PHE HDx A 22 PHE HBy 1.0 1.702 3.210 693 543 A 51 PHE HDy A 51 PHE HBx 1.0 1.612 2.864 694 543 A 51 PHE HDx A 51 PHE HBx 1.0 1.612 2.864 695 544 A 51 PHE HDx A 71 ALA HB% 1.0 1.605 2.839 696 544 A 51 PHE HDy A 71 ALA HB% 1.0 1.605 2.839 697 545 A 26 PHE HDy A 26 PHE HA 1.0 1.760 3.468 698 545 A 26 PHE HDx A 26 PHE HA 1.0 1.760 3.468 699 546 A 26 PHE HBy A 26 PHE HA 1.0 1.739 3.369 700 547 A 29 GLN HBx A 26 PHE HA 1.0 1.651 3.007 701 547 A 29 GLN HBy A 26 PHE HA 1.0 1.651 3.007 702 548 A 5 GLU HGx A 4 PHE HDy 1.0 1.673 3.091 703 548 A 5 GLU HGx A 4 PHE HDx 1.0 1.673 3.091 704 548 A 5 GLU HGy A 4 PHE HDy 1.0 1.673 3.091 705 548 A 5 GLU HGy A 4 PHE HDx 1.0 1.673 3.091 706 549 A 92 PHE HA A 92 PHE HDy 1.0 1.750 3.424 707 549 A 92 PHE HA A 92 PHE HDx 1.0 1.750 3.424 708 550 A 92 PHE HBy A 92 PHE HDy 1.0 1.717 3.275 709 550 A 92 PHE HBy A 92 PHE HDx 1.0 1.717 3.275 710 551 A 91 THR HA A 85 MET HA 1.0 1.674 3.096 711 552 A 22 PHE HBy A 22 PHE HA 1.0 1.715 3.263 712 553 A 25 LYS HBx A 22 PHE HA 1.0 1.660 3.040 713 553 A 25 LYS HBy A 22 PHE HA 1.0 1.660 3.040 714 554 A 81 PHE HEy A 9 ILE HG13 1.0 1.620 2.892 715 554 A 81 PHE HEy A 9 ILE HG12 1.0 1.620 2.892 716 554 A 81 PHE HEx A 9 ILE HG12 1.0 1.620 2.892 717 554 A 81 PHE HEx A 9 ILE HG13 1.0 1.620 2.892 718 555 A 92 PHE HEy A 117 LEU HDx% 1.0 1.626 2.916 719 555 A 92 PHE HEx A 117 LEU HDx% 1.0 1.626 2.916 720 556 A 51 PHE HEy A 8 LYS HGx 1.0 1.640 2.964 721 556 A 51 PHE HEx A 8 LYS HGx 1.0 1.640 2.964 722 557 A 27 TYR HBx A 27 TYR HA 1.0 1.764 3.490 723 557 A 27 TYR HBy A 27 TYR HA 1.0 1.764 3.490 724 558 A 51 PHE HEy A 8 LYS HDx 1.0 1.677 3.109 725 558 A 51 PHE HEx A 8 LYS HDx 1.0 1.677 3.109 726 558 A 51 PHE HEy A 8 LYS HDy 1.0 1.677 3.109 727 558 A 51 PHE HEx A 8 LYS HDy 1.0 1.677 3.109 728 559 A 51 PHE HEx A 12 VAL HGx% 1.0 1.715 3.265 729 559 A 51 PHE HEy A 12 VAL HGx% 1.0 1.715 3.265 730 560 A 8 LYS HGy A 4 PHE HZ 1.0 1.676 3.106 731 561 A 4 PHE HZ A 4 PHE HEy 1.0 1.656 3.024 732 561 A 4 PHE HZ A 4 PHE HEx 1.0 1.656 3.024 733 562 A 53 ILE HA A 71 ALA HB% 1.0 1.748 3.408 734 563 A 53 ILE HA A 53 ILE HG2% 1.0 1.615 2.875 735 564 A 45 ILE HB A 45 ILE HA 1.0 1.700 3.202 736 565 A 45 ILE HA A 45 ILE HG2% 1.0 1.444 2.338 737 566 A 6 LYS HDx A 6 LYS HA 1.0 1.742 3.382 738 566 A 6 LYS HDy A 6 LYS HA 1.0 1.742 3.382 739 567 A 6 LYS HBx A 6 LYS HA 1.0 1.501 2.503 740 567 A 6 LYS HBy A 6 LYS HA 1.0 1.501 2.503 741 568 A 9 ILE HB A 6 LYS HA 1.0 1.564 2.702 742 569 A 81 PHE HEy A 8 LYS HBy 1.0 1.745 3.397 743 569 A 81 PHE HEy A 8 LYS HBx 1.0 1.745 3.397 744 569 A 81 PHE HEx A 8 LYS HBx 1.0 1.745 3.397 745 569 A 81 PHE HEx A 8 LYS HBy 1.0 1.745 3.397 746 570 A 7 ALA HB% A 4 PHE HA 1.0 1.561 2.693 747 571 A 4 PHE HDy A 4 PHE HA 1.0 1.664 3.058 748 571 A 4 PHE HDx A 4 PHE HA 1.0 1.664 3.058 749 572 A 24 GLU HBx A 24 GLU HA 1.0 1.704 3.220 750 573 A 24 GLU HGx A 24 GLU HA 1.0 1.748 3.412 751 574 A 24 GLU HBy A 24 GLU HA 1.0 1.680 3.122 752 575 A 24 GLU HGy A 24 GLU HA 1.0 1.723 3.297 753 576 A 38 THR HG2% A 38 THR HA 1.0 1.555 2.671 754 577 A 18 GLU HA A 18 GLU HBx 1.0 1.572 2.726 755 578 A 72 VAL HA A 72 VAL HGx% 1.0 1.557 2.679 756 579 A 72 VAL HA A 72 VAL HB 1.0 1.717 3.271 757 580 A 13 ARG HA A 16 LEU HBx 1.0 1.631 2.931 758 580 A 13 ARG HA A 16 LEU HBy 1.0 1.631 2.931 759 581 A 13 ARG HA A 13 ARG HBx 1.0 1.701 3.203 760 581 A 13 ARG HA A 13 ARG HBy 1.0 1.701 3.203 761 582 A 13 ARG HA A 83 ILE HG2% 1.0 1.600 2.820 762 583 A 83 ILE HB A 83 ILE HA 1.0 1.657 3.029 763 584 A 82 ILE HA A 82 ILE HG2% 1.0 1.590 2.790 764 585 A 82 ILE HA A 82 ILE HB 1.0 1.728 3.320 765 586 A 18 GLU HA A 21 HIS HBx 1.0 1.682 3.128 766 587 A 8 LYS HGy A 4 PHE HEy 1.0 1.664 3.058 767 587 A 8 LYS HGy A 4 PHE HEx 1.0 1.664 3.058 768 588 A 28 LEU HA A 28 LEU HBy 1.0 1.506 2.518 769 589 A 5 GLU HGx A 5 GLU HA 1.0 1.525 2.575 770 589 A 5 GLU HGy A 5 GLU HA 1.0 1.525 2.575 771 590 A 93 ILE HA A 83 ILE HA 1.0 1.667 3.071 772 591 A 93 ILE HA A 93 ILE HB 1.0 1.651 3.005 773 592 A 93 ILE HA A 93 ILE HG2% 1.0 1.615 2.877 774 593 A 93 ILE HA A 93 ILE HD1% 1.0 1.683 3.131 775 594 A 16 LEU HA A 19 ASN HBx 1.0 1.737 3.361 776 595 A 87 GLU HA A 87 GLU HGy 1.0 1.712 3.252 777 596 A 97 SER HBx A 97 SER HA 1.0 1.667 3.069 778 597 A 87 GLU HGx A 67 PHE HA 1.0 1.684 3.138 779 598 A 118 PHE HA A 118 PHE HDy 1.0 1.699 3.199 780 598 A 118 PHE HA A 118 PHE HDx 1.0 1.699 3.199 781 599 A 42 SER HA A 42 SER HBx 1.0 1.424 2.284 782 599 A 42 SER HA A 42 SER HBy 1.0 1.424 2.284 783 600 A 29 GLN HGx A 29 GLN HA 1.0 1.679 3.119 784 601 A 29 GLN HGy A 29 GLN HA 1.0 1.590 2.786 785 602 A 28 LEU HDy% A 28 LEU HA 1.0 1.425 2.285 786 602 A 28 LEU HDx% A 28 LEU HA 1.0 1.425 2.285 787 603 A 17 LEU HA A 17 LEU HDx% 1.0 1.463 2.393 788 603 A 17 LEU HA A 17 LEU HDy% 1.0 1.463 2.393 789 604 A 97 SER HBy A 97 SER HA 1.0 1.637 2.953 790 605 A 118 PHE HA A 118 PHE HBx 1.0 1.638 2.960 791 606 A 95 LYS HA A 95 LYS HDx 1.0 1.603 2.833 792 606 A 95 LYS HA A 95 LYS HDy 1.0 1.603 2.833 793 607 A 95 LYS HGx A 95 LYS HA 1.0 1.612 2.862 794 607 A 95 LYS HGy A 95 LYS HA 1.0 1.612 2.862 795 608 A 19 ASN HA A 23 MET HGx 1.0 1.724 3.302 796 608 A 19 ASN HA A 23 MET HGy 1.0 1.724 3.302 797 609 A 113 LYS HGx A 95 LYS HA 1.0 1.527 2.581 798 609 A 113 LYS HGy A 95 LYS HA 1.0 1.527 2.581 799 610 A 78 LYS HBx A 78 LYS HA 1.0 1.508 2.522 800 611 A 78 LYS HA A 78 LYS HDx 1.0 1.578 2.748 801 611 A 78 LYS HA A 78 LYS HDy 1.0 1.578 2.748 802 612 A 117 LEU HA A 117 LEU HDx% 1.0 1.704 3.220 803 613 A 51 PHE HDy A 51 PHE HA 1.0 1.755 3.447 804 613 A 51 PHE HDx A 51 PHE HA 1.0 1.755 3.447 805 614 A 73 ALA HA A 51 PHE HA 1.0 1.511 2.531 806 615 A 100 SER HBx A 100 SER HA 1.0 1.550 2.654 807 616 A 100 SER HBy A 100 SER HA 1.0 1.614 2.870 808 617 A 72 VAL HGx% A 100 SER HA 1.0 1.553 2.667 809 618 A 101 CYS HBx A 101 CYS HA 1.0 1.678 3.112 810 619 A 101 CYS HBy A 101 CYS HA 1.0 1.558 2.680 811 620 A 10 ASN HBx A 10 ASN HA 1.0 1.641 2.971 812 621 A 10 ASN HA A 13 ARG HBx 1.0 1.633 2.937 813 621 A 10 ASN HA A 13 ARG HBy 1.0 1.633 2.937 814 622 A 10 ASN HA A 9 ILE HG2% 1.0 1.768 3.508 815 623 A 117 LEU HA A 92 PHE HDy 1.0 1.693 3.173 816 623 A 117 LEU HA A 92 PHE HDx 1.0 1.693 3.173 817 624 A 49 GLU HA A 49 GLU HBx 1.0 1.541 2.629 818 625 A 94 CYS HA A 115 CYS HA 1.0 1.642 2.976 819 626 A 92 PHE HA A 117 LEU HA 1.0 1.663 3.053 820 627 A 92 PHE HA A 92 PHE HBx 1.0 1.741 3.381 821 628 A 84 LYS HDx A 70 LYS HA 1.0 1.745 3.399 822 628 A 84 LYS HDy A 70 LYS HA 1.0 1.745 3.399 823 629 A 107 TYR HA A 107 TYR HDy 1.0 1.760 3.470 824 629 A 107 TYR HA A 107 TYR HDx 1.0 1.760 3.470 825 630 A 19 ASN HA A 43 LEU HDx% 1.0 1.738 3.368 826 630 A 19 ASN HA A 43 LEU HDy% 1.0 1.738 3.368 827 631 A 55 LEU HDy% A 55 LEU HA 1.0 1.647 2.993 828 632 A 14 ALA HA A 17 LEU HDy% 1.0 1.553 2.667 829 632 A 14 ALA HA A 17 LEU HDx% 1.0 1.553 2.667 830 633 A 14 ALA HA A 17 LEU HBx 1.0 1.629 2.923 831 634 A 23 MET HA A 23 MET HGx 1.0 1.725 3.309 832 634 A 23 MET HA A 23 MET HGy 1.0 1.725 3.309 833 635 A 20 ALA HB% A 20 ALA HA 1.0 1.502 2.504 834 636 A 52 CYS HA A 47 GLU HGx 1.0 1.752 3.432 835 637 A 52 CYS HA A 47 GLU HA 1.0 1.602 2.830 836 638 A 52 CYS HA A 52 CYS HBy 1.0 1.699 3.195 837 639 A 52 CYS HA A 47 GLU HBx 1.0 1.714 3.264 838 639 A 52 CYS HA A 47 GLU HBy 1.0 1.714 3.264 839 640 A 47 GLU HA A 47 GLU HGx 1.0 1.639 2.963 840 641 A 47 GLU HA A 47 GLU HBx 1.0 1.509 2.525 841 641 A 47 GLU HA A 47 GLU HBy 1.0 1.509 2.525 842 642 A 107 TYR HA A 108 PHE HDy 1.0 1.768 3.508 843 642 A 107 TYR HA A 108 PHE HDx 1.0 1.768 3.508 844 643 A 59 ALA HB% A 39 LYS HA 1.0 1.726 3.314 845 644 A 66 LYS HBy A 66 LYS HA 1.0 1.629 2.925 846 645 A 66 LYS HGx A 66 LYS HA 1.0 1.715 3.261 847 645 A 66 LYS HGy A 66 LYS HA 1.0 1.715 3.261 848 646 A 66 LYS HBx A 66 LYS HA 1.0 1.726 3.312 849 647 A 11 ALA HA A 11 ALA HB% 1.0 1.317 2.009 850 648 A 112 ASP HBy A 112 ASP HA 1.0 1.709 3.239 851 649 A 7 ALA HA A 7 ALA HB% 1.0 1.355 2.103 852 650 A 85 MET HE% A 85 MET HA 1.0 1.712 3.252 853 651 A 84 LYS HA A 84 LYS HDx 1.0 1.762 3.476 854 651 A 84 LYS HA A 84 LYS HDy 1.0 1.762 3.476 855 652 A 116 LYS HBx A 116 LYS HA 1.0 1.577 2.745 856 653 A 116 LYS HGx A 116 LYS HA 1.0 1.609 2.853 857 653 A 116 LYS HGy A 116 LYS HA 1.0 1.609 2.853 858 654 A 106 ASP HA A 105 LEU HDy% 1.0 1.768 3.508 859 655 A 15 ALA HA A 18 GLU HBx 1.0 1.701 3.205 860 656 A 15 ALA HA A 15 ALA HB% 1.0 1.438 2.320 861 657 A 84 LYS HA A 70 LYS HA 1.0 1.700 3.202 862 658 A 84 LYS HA A 84 LYS HBx 1.0 1.748 3.412 863 658 A 84 LYS HA A 84 LYS HBy 1.0 1.748 3.412 864 659 A 105 LEU HA A 105 LEU HDy% 1.0 1.483 2.449 865 660 A 68 MET HA A 68 MET HGx 1.0 1.722 3.298 866 660 A 68 MET HA A 68 MET HGy 1.0 1.722 3.298 867 661 A 106 ASP HA A 106 ASP HBx 1.0 1.609 2.853 868 662 A 106 ASP HA A 106 ASP HBy 1.0 1.575 2.739 869 663 A 48 ALA HB% A 48 ALA HA 1.0 1.404 2.230 870 664 A 88 ASN HA A 88 ASN HBy 1.0 1.596 2.808 871 665 A 43 LEU HA A 43 LEU HBx 1.0 1.744 3.398 872 665 A 43 LEU HA A 43 LEU HBy 1.0 1.744 3.398 873 666 A 43 LEU HA A 43 LEU HG 1.0 1.752 3.430 874 667 A 75 ASP HA A 74 ILE HG2% 1.0 1.747 3.409 875 668 A 75 ASP HA A 75 ASP HBy 1.0 1.549 2.653 876 669 A 75 ASP HA A 109 LYS HBx 1.0 1.763 3.483 877 669 A 75 ASP HA A 109 LYS HBy 1.0 1.763 3.483 878 670 A 98 ALA HB% A 98 ALA HA 1.0 1.419 2.271 879 671 A 86 ASN HA A 86 ASN HBx 1.0 1.697 3.189 880 672 A 86 ASN HBy A 86 ASN HA 1.0 1.700 3.200 881 673 A 79 ASN HA A 79 ASN HBx 1.0 1.670 3.084 882 674 A 79 ASN HA A 79 ASN HBy 1.0 1.632 2.936 883 675 A 79 ASN HA A 80 PRO HDx 1.0 1.599 2.821 884 676 A 79 ASN HA A 80 PRO HDy 1.0 1.613 2.869 885 677 A 71 ALA HA A 53 ILE HA 1.0 1.693 3.173 886 678 A 71 ALA HA A 71 ALA HB% 1.0 1.593 2.799 887 679 A 50 GLY HAx A 50 GLY HAy 1.0 1.588 2.782 888 680 A 52 CYS HBx A 54 ARG HDx 1.0 1.701 3.207 889 680 A 52 CYS HBx A 54 ARG HDy 1.0 1.701 3.207 890 681 A 52 CYS HA A 52 CYS HBx 1.0 1.679 3.119 891 682 A 52 CYS HBx A 52 CYS HBy 1.0 1.654 3.020 892 683 A 40 TRP HH2 A 40 TRP HZ2 1.0 1.694 3.178 893 684 A 117 LEU HA A 117 LEU HBx 1.0 1.643 2.977 894 685 A 117 LEU HDx% A 117 LEU HBx 1.0 1.622 2.902 895 686 A 117 LEU HDx% A 117 LEU HBy 1.0 1.721 3.287 896 687 A 92 PHE HBx A 92 PHE HDy 1.0 1.751 3.425 897 687 A 92 PHE HBx A 92 PHE HDx 1.0 1.751 3.425 898 688 A 117 LEU HDy% A 117 LEU HBx 1.0 1.709 3.237 899 689 A 117 LEU HBx A 117 LEU HBy 1.0 1.372 2.146 900 690 A 8 LYS HEy A 8 LYS HDx 1.0 1.446 2.342 901 690 A 8 LYS HEx A 8 LYS HDx 1.0 1.446 2.342 902 690 A 8 LYS HEx A 8 LYS HDy 1.0 1.446 2.342 903 690 A 8 LYS HEy A 8 LYS HDy 1.0 1.446 2.342 904 691 A 46 LYS HDx A 46 LYS HEx 1.0 1.491 2.473 905 691 A 46 LYS HDx A 46 LYS HEy 1.0 1.491 2.473 906 692 A 17 LEU HBx A 17 LEU HBy 1.0 1.464 2.394 907 693 A 17 LEU HA A 17 LEU HBy 1.0 1.674 3.096 908 694 A 92 PHE HEx A 119 LYS HEx 1.0 1.737 3.359 909 694 A 92 PHE HEy A 119 LYS HEy 1.0 1.737 3.359 910 694 A 92 PHE HEx A 119 LYS HEy 1.0 1.737 3.359 911 694 A 92 PHE HEy A 119 LYS HEx 1.0 1.737 3.359 912 695 A 6 LYS HDy A 6 LYS HEx 1.0 1.485 2.455 913 695 A 6 LYS HDx A 6 LYS HEy 1.0 1.485 2.455 914 695 A 6 LYS HDy A 6 LYS HEy 1.0 1.485 2.455 915 695 A 6 LYS HDx A 6 LYS HEx 1.0 1.485 2.455 916 696 A 117 LEU HDx% A 119 LYS HEx 1.0 1.752 3.432 917 696 A 117 LEU HDx% A 119 LYS HEy 1.0 1.752 3.432 918 697 A 28 LEU HDy% A 28 LEU HBx 1.0 1.468 2.408 919 697 A 28 LEU HDx% A 28 LEU HBx 1.0 1.468 2.408 920 698 A 28 LEU HBy A 28 LEU HBx 1.0 1.368 2.136 921 699 A 91 THR HB A 118 PHE HBy 1.0 1.729 3.329 922 700 A 53 ILE HA A 53 ILE HB 1.0 1.768 3.504 923 701 A 114 ASP HBy A 81 PHE HBx 1.0 1.478 2.434 924 702 A 106 ASP HBy A 106 ASP HBx 1.0 1.520 2.562 925 703 A 19 ASN HBx A 19 ASN HBy 1.0 1.703 3.213 926 704 A 78 LYS HBy A 75 ASP HBx 1.0 1.726 3.314 927 705 A 77 ASP HA A 77 ASP HBy 1.0 1.630 2.928 928 706 A 51 PHE HBx A 51 PHE HBy 1.0 1.662 3.052 929 707 A 75 ASP HBy A 75 ASP HBx 1.0 1.435 2.313 930 708 A 93 ILE HG13 A 93 ILE HB 1.0 1.667 3.067 931 709 A 93 ILE HG2% A 93 ILE HB 1.0 1.578 2.748 932 710 A 93 ILE HG12 A 93 ILE HB 1.0 1.651 3.007 933 711 A 26 PHE HDy A 26 PHE HBy 1.0 1.797 3.657 934 711 A 26 PHE HDx A 26 PHE HBy 1.0 1.797 3.657 935 712 A 16 LEU HA A 16 LEU HBx 1.0 1.808 3.714 936 712 A 16 LEU HA A 16 LEU HBy 1.0 1.808 3.714 937 713 A 85 MET HGx A 85 MET HBx 1.0 1.740 3.372 938 713 A 85 MET HGy A 85 MET HBx 1.0 1.740 3.372 939 713 A 85 MET HGx A 85 MET HBy 1.0 1.740 3.372 940 713 A 85 MET HGy A 85 MET HBy 1.0 1.740 3.372 941 714 A 25 LYS HGy A 26 PHE HBy 1.0 1.743 3.387 942 715 A 114 ASP HBy A 113 LYS HGx 1.0 1.787 3.603 943 715 A 114 ASP HBy A 113 LYS HGy 1.0 1.787 3.603 944 716 A 114 ASP HBy A 80 PRO HBx 1.0 1.771 3.525 945 716 A 114 ASP HBy A 80 PRO HBy 1.0 1.771 3.525 946 717 A 26 PHE HBx A 26 PHE HBy 1.0 1.771 3.525 947 718 A 22 PHE HDy A 22 PHE HBx 1.0 1.776 3.546 948 718 A 22 PHE HDx A 22 PHE HBx 1.0 1.776 3.546 949 719 A 10 ASN HBy A 7 ALA HA 1.0 1.800 3.668 950 720 A 10 ASN HBy A 10 ASN HA 1.0 1.772 3.524 951 721 A 47 GLU HGy A 47 GLU HBx 1.0 1.602 2.828 952 721 A 47 GLU HGy A 47 GLU HBy 1.0 1.602 2.828 953 722 A 92 PHE HBy A 84 LYS HBx 1.0 1.833 3.855 954 722 A 92 PHE HBy A 84 LYS HBy 1.0 1.833 3.855 955 723 A 9 ILE HB A 9 ILE HA 1.0 1.773 3.533 956 724 A 52 CYS HA A 47 GLU HGy 1.0 1.809 3.721 957 725 A 49 GLU HGx A 49 GLU HA 1.0 1.797 3.651 958 725 A 49 GLU HGy A 49 GLU HA 1.0 1.797 3.651 959 726 A 3 GLU HGy A 7 ALA HB% 1.0 1.777 3.551 960 726 A 3 GLU HGx A 7 ALA HB% 1.0 1.777 3.551 961 727 A 18 GLU HGx A 45 ILE HG13 1.0 1.771 3.525 962 728 A 24 GLU HGx A 28 LEU HDx% 1.0 1.825 3.807 963 728 A 24 GLU HGx A 28 LEU HDy% 1.0 1.825 3.807 964 729 A 95 LYS HBx A 95 LYS HA 1.0 1.814 3.744 965 729 A 95 LYS HBy A 95 LYS HA 1.0 1.814 3.744 966 730 A 78 LYS HBx A 75 ASP HBx 1.0 1.815 3.753 967 731 A 78 LYS HBy A 78 LYS HDx 1.0 1.629 2.923 968 731 A 78 LYS HBy A 78 LYS HDy 1.0 1.629 2.923 969 732 A 22 PHE HDy A 41 PRO HBx 1.0 1.824 3.800 970 732 A 22 PHE HDx A 41 PRO HBx 1.0 1.824 3.800 971 732 A 22 PHE HDy A 41 PRO HBy 1.0 1.824 3.800 972 732 A 22 PHE HDx A 41 PRO HBy 1.0 1.824 3.800 973 733 A 76 LYS HBy A 73 ALA HB% 1.0 1.813 3.741 974 734 A 76 LYS HBx A 76 LYS HA 1.0 1.623 2.905 975 735 A 76 LYS HBy A 109 LYS HGx 1.0 1.708 3.238 976 735 A 76 LYS HBy A 109 LYS HGy 1.0 1.708 3.238 977 736 A 76 LYS HBy A 76 LYS HDx 1.0 1.584 2.768 978 736 A 76 LYS HBy A 76 LYS HDy 1.0 1.584 2.768 979 737 A 85 MET HGx A 85 MET HA 1.0 1.823 3.797 980 737 A 85 MET HGy A 85 MET HA 1.0 1.823 3.797 981 738 A 21 HIS HA A 24 GLU HBx 1.0 1.828 3.824 982 739 A 9 ILE HG13 A 9 ILE HG2% 1.0 1.813 3.739 983 739 A 9 ILE HG12 A 9 ILE HG2% 1.0 1.813 3.739 984 740 A 21 HIS HBx A 21 HIS HD2 1.0 1.804 3.690 985 741 A 109 LYS HDx A 108 PHE HBx 1.0 1.729 3.329 986 741 A 109 LYS HDy A 108 PHE HBx 1.0 1.729 3.329 987 742 A 4 PHE HDy A 8 LYS HDy 1.0 1.818 3.766 988 742 A 4 PHE HDy A 8 LYS HDx 1.0 1.818 3.766 989 742 A 4 PHE HDx A 8 LYS HDx 1.0 1.818 3.766 990 742 A 4 PHE HDx A 8 LYS HDy 1.0 1.818 3.766 991 743 A 83 ILE HG12 A 83 ILE HA 1.0 1.787 3.601 992 743 A 83 ILE HG13 A 83 ILE HA 1.0 1.787 3.601 993 744 A 12 VAL HA A 49 GLU HBx 1.0 1.818 3.768 994 745 A 17 LEU HG A 17 LEU HDy% 1.0 1.418 2.268 995 745 A 17 LEU HG A 17 LEU HDx% 1.0 1.418 2.268 996 746 A 16 LEU HG A 12 VAL HGy% 1.0 1.786 3.598 997 747 A 16 LEU HDx% A 70 LYS HA 1.0 1.785 3.591 998 748 A 117 LEU HDy% A 92 PHE HDy 1.0 1.808 3.714 999 748 A 117 LEU HDy% A 92 PHE HDx 1.0 1.808 3.714 1000 749 A 119 LYS HGy A 117 LEU HDy% 1.0 1.746 3.400 1001 749 A 119 LYS HGx A 117 LEU HDy% 1.0 1.746 3.400 1002 750 A 8 LYS HEx A 8 LYS HGy 1.0 1.723 3.297 1003 750 A 8 LYS HEy A 8 LYS HGy 1.0 1.723 3.297 1004 751 A 51 PHE HBy A 12 VAL HGx% 1.0 1.792 3.630 1005 752 A 8 LYS HA A 12 VAL HGx% 1.0 1.825 3.809 1006 753 A 38 THR HG2% A 40 TRP HH2 1.0 1.802 3.680 1007 754 A 92 PHE HEy A 90 VAL HGx% 1.0 1.785 3.595 1008 754 A 92 PHE HEx A 90 VAL HGx% 1.0 1.785 3.595 1009 755 A 13 ARG HA A 91 THR HG2% 1.0 1.804 3.694 1010 756 A 91 THR HG2% A 16 LEU HBx 1.0 1.667 3.067 1011 756 A 91 THR HG2% A 16 LEU HBy 1.0 1.667 3.067 1012 757 A 73 ALA HB% A 51 PHE HZ 1.0 1.784 3.588 1013 758 A 71 ALA HA A 53 ILE HG2% 1.0 1.810 3.722 1014 759 A 13 ARG HDx A 83 ILE HG2% 1.0 1.780 3.568 1015 759 A 13 ARG HDy A 83 ILE HG2% 1.0 1.780 3.568 1016 760 A 19 ASN HBx A 23 MET HE% 1.0 1.777 3.555 1017 761 A 20 ALA HB% A 23 MET HE% 1.0 1.642 2.972 1018 762 A 85 MET HGy A 23 MET HE% 1.0 1.546 2.644 1019 762 A 85 MET HGx A 23 MET HE% 1.0 1.546 2.644 1020 763 A 91 THR HB A 85 MET HE% 1.0 1.816 3.760 1021 764 A 9 ILE HG2% A 13 ARG HBx 1.0 1.770 3.516 1022 764 A 9 ILE HG2% A 13 ARG HBy 1.0 1.770 3.516 1023 765 A 81 PHE HEy A 93 ILE HG2% 1.0 1.783 3.581 1024 765 A 81 PHE HEx A 93 ILE HG2% 1.0 1.783 3.581 1025 766 A 5 GLU HBx A 9 ILE HD1% 1.0 1.771 3.523 1026 767 A 74 ILE HD1% A 51 PHE HA 1.0 1.827 3.819 1027 768 A 93 ILE HD1% A 83 ILE HA 1.0 1.817 3.765 1028 769 A 97 SER HBy A 99 SER HBx 1.0 1.784 3.586 1029 770 A 76 LYS HA A 80 PRO HA 1.0 1.815 3.753 1030 771 A 23 MET HA A 22 PHE HEy 1.0 1.852 3.968 1031 771 A 23 MET HA A 22 PHE HEx 1.0 1.852 3.968 1032 772 A 89 LEU HDy% A 27 TYR HDx 1.0 1.791 3.625 1033 772 A 89 LEU HDy% A 27 TYR HDy 1.0 1.791 3.625 1034 773 A 92 PHE HEy A 86 ASN HBy 1.0 1.771 3.523 1035 773 A 92 PHE HEx A 86 ASN HBy 1.0 1.771 3.523 1036 774 A 80 PRO HDy A 4 PHE HZ 1.0 1.833 3.859 1037 775 A 81 PHE HEx A 9 ILE HD1% 1.0 1.789 3.611 1038 775 A 81 PHE HEy A 9 ILE HD1% 1.0 1.789 3.611 1039 776 A 118 PHE HDx A 9 ILE HG2% 1.0 1.798 3.660 1040 776 A 118 PHE HDy A 9 ILE HG2% 1.0 1.798 3.660 1041 777 A 22 PHE HDy A 25 LYS HEy 1.0 1.825 3.805 1042 777 A 22 PHE HDy A 25 LYS HEx 1.0 1.825 3.805 1043 777 A 22 PHE HDx A 25 LYS HEx 1.0 1.825 3.805 1044 777 A 22 PHE HDx A 25 LYS HEy 1.0 1.825 3.805 1045 778 A 51 PHE HEy A 8 LYS HEy 1.0 1.785 3.591 1046 778 A 51 PHE HEy A 8 LYS HEx 1.0 1.785 3.591 1047 778 A 51 PHE HEx A 8 LYS HEx 1.0 1.785 3.591 1048 778 A 51 PHE HEx A 8 LYS HEy 1.0 1.785 3.591 1049 779 A 51 PHE HEy A 79 ASN HBy 1.0 1.820 3.784 1050 779 A 51 PHE HEx A 79 ASN HBy 1.0 1.820 3.784 1051 780 A 81 PHE HEy A 5 GLU HA 1.0 1.824 3.804 1052 780 A 81 PHE HEx A 5 GLU HA 1.0 1.824 3.804 1053 781 A 4 PHE HEy A 80 PRO HGy 1.0 1.782 3.576 1054 781 A 4 PHE HEx A 80 PRO HGy 1.0 1.782 3.576 1055 782 A 80 PRO HDy A 4 PHE HEy 1.0 1.817 3.759 1056 782 A 80 PRO HDy A 4 PHE HEx 1.0 1.817 3.759 1057 783 A 40 TRP HD1 A 59 ALA HB% 1.0 1.854 3.986 1058 784 A 22 PHE HDy A 22 PHE HEx 1.0 1.675 3.099 1059 784 A 22 PHE HDy A 22 PHE HEy 1.0 1.675 3.099 1060 784 A 22 PHE HDx A 22 PHE HEy 1.0 1.675 3.099 1061 784 A 22 PHE HDx A 22 PHE HEx 1.0 1.675 3.099 1062 785 A 22 PHE HA A 22 PHE HBx 1.0 1.811 3.731 1063 786 A 26 PHE HBx A 26 PHE HA 1.0 1.767 3.499 1064 787 A 91 THR HA A 85 MET HE% 1.0 1.877 4.141 1065 788 A 51 PHE HDy A 72 VAL HA 1.0 1.797 3.655 1066 788 A 51 PHE HDx A 72 VAL HA 1.0 1.797 3.655 1067 789 A 82 ILE HA A 72 VAL HA 1.0 1.794 3.642 1068 790 A 99 SER HA A 72 VAL HGy% 1.0 1.832 3.850 1069 791 A 25 LYS HA A 28 LEU HDx% 1.0 1.642 2.974 1070 791 A 25 LYS HA A 28 LEU HDy% 1.0 1.642 2.974 1071 792 A 51 PHE HEy A 82 ILE HA 1.0 1.833 3.857 1072 792 A 51 PHE HEx A 82 ILE HA 1.0 1.833 3.857 1073 793 A 9 ILE HD1% A 5 GLU HA 1.0 1.810 3.724 1074 794 A 42 SER HA A 43 LEU HDy% 1.0 1.809 3.721 1075 794 A 42 SER HA A 43 LEU HDx% 1.0 1.809 3.721 1076 795 A 21 HIS HA A 21 HIS HD2 1.0 1.798 3.664 1077 796 A 72 VAL HB A 100 SER HA 1.0 1.768 3.506 1078 797 A 19 ASN HA A 22 PHE HEy 1.0 1.829 3.831 1079 797 A 19 ASN HA A 22 PHE HEx 1.0 1.829 3.831 1080 798 A 22 PHE HDy A 19 ASN HA 1.0 1.845 3.925 1081 798 A 22 PHE HDx A 19 ASN HA 1.0 1.845 3.925 1082 799 A 109 LYS HEx A 100 SER HA 1.0 1.772 3.528 1083 799 A 109 LYS HEy A 100 SER HA 1.0 1.772 3.528 1084 800 A 72 VAL HGy% A 100 SER HA 1.0 1.826 3.812 1085 801 A 115 CYS HA A 115 CYS HBy 1.0 1.793 3.633 1086 802 A 85 MET HBx A 85 MET HA 1.0 1.779 3.559 1087 802 A 85 MET HBy A 85 MET HA 1.0 1.779 3.559 1088 803 A 23 MET HE% A 85 MET HA 1.0 1.811 3.727 1089 804 A 91 THR HG2% A 85 MET HA 1.0 1.822 3.790 1090 805 A 16 LEU HDx% A 85 MET HA 1.0 1.846 3.936 1091 806 A 94 CYS HA A 94 CYS HBx 1.0 1.813 3.743 1092 807 A 84 LYS HA A 84 LYS HEx 1.0 1.806 3.700 1093 808 A 52 CYS HA A 74 ILE HD1% 1.0 1.820 3.784 1094 809 A 108 PHE HA A 108 PHE HBy 1.0 1.846 3.938 1095 810 A 14 ALA HA A 14 ALA HB% 1.0 1.787 3.603 1096 811 A 84 LYS HA A 84 LYS HGx 1.0 1.869 4.085 1097 811 A 84 LYS HA A 84 LYS HGy 1.0 1.869 4.085 1098 812 A 51 PHE HDy A 73 ALA HA 1.0 1.830 3.840 1099 812 A 51 PHE HDx A 73 ALA HA 1.0 1.830 3.840 1100 813 A 43 LEU HA A 44 PRO HDy 1.0 1.776 3.548 1101 814 A 82 ILE HG2% A 98 ALA HA 1.0 1.844 3.922 1102 815 A 18 GLU HA A 21 HIS HD2 1.0 1.816 3.760 1103 816 A 17 LEU HDy% A 21 HIS HD2 1.0 1.780 3.564 1104 816 A 17 LEU HDx% A 21 HIS HD2 1.0 1.780 3.564 1105 817 A 71 ALA HA A 51 PHE HBx 1.0 1.851 3.965 1106 818 A 71 ALA HA A 16 LEU HDy% 1.0 1.783 3.579 1107 819 A 40 TRP HZ2 A 59 ALA HA 1.0 1.788 3.606 1108 820 A 40 TRP HZ2 A 59 ALA HB% 1.0 1.846 3.940 1109 821 A 105 LEU HBx A 105 LEU HG 1.0 1.788 3.604 1110 821 A 105 LEU HBy A 105 LEU HG 1.0 1.788 3.604 1111 822 A 74 ILE HG12 A 105 LEU HBx 1.0 1.635 2.949 1112 822 A 74 ILE HG13 A 105 LEU HBx 1.0 1.635 2.949 1113 822 A 74 ILE HG12 A 105 LEU HBy 1.0 1.635 2.949 1114 822 A 74 ILE HG13 A 105 LEU HBy 1.0 1.635 2.949 1115 823 A 117 LEU HDy% A 117 LEU HBy 1.0 1.760 3.470 1116 824 A 92 PHE HA A 92 PHE HBy 1.0 1.812 3.738 1117 825 A 17 LEU HA A 17 LEU HBx 1.0 1.711 3.249 1118 826 A 79 ASN HBx A 51 PHE HZ 1.0 1.860 4.020 1119 827 A 79 ASN HBy A 51 PHE HZ 1.0 1.839 3.889 1120 828 A 104 GLY HAx A 101 CYS HBy 1.0 1.774 3.534 1121 829 A 8 LYS HEx A 8 LYS HA 1.0 1.734 3.350 1122 829 A 8 LYS HEy A 8 LYS HA 1.0 1.734 3.350 1123 830 A 76 LYS HA A 79 ASN HBx 1.0 1.833 3.855 1124 831 A 51 PHE HEy A 79 ASN HBx 1.0 1.828 3.822 1125 831 A 51 PHE HEx A 79 ASN HBx 1.0 1.828 3.822 1126 832 A 101 CYS HBx A 101 CYS HBy 1.0 1.654 3.016 1127 833 A 91 THR HG2% A 118 PHE HBy 1.0 1.764 3.486 1128 834 A 51 PHE HBy A 83 ILE HD1% 1.0 1.820 3.784 1129 835 A 86 ASN HBy A 86 ASN HBx 1.0 1.773 3.531 1130 836 A 78 LYS HBy A 75 ASP HBy 1.0 1.786 3.596 1131 837 A 75 ASP HA A 75 ASP HBx 1.0 1.833 3.853 1132 838 A 22 PHE HBy A 22 PHE HBx 1.0 1.763 3.483 1133 839 A 24 GLU HGy A 28 LEU HDy% 1.0 1.861 4.033 1134 839 A 24 GLU HGy A 28 LEU HDx% 1.0 1.861 4.033 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 52 CYS H A 73 ALA H 1.0 1.858 4.008 2 1 A 51 PHE H A 52 CYS H 1.0 1.858 4.008 3 2 A 27 TYR HBx A 24 GLU HA 1.0 1.687 3.147 4 2 A 27 TYR HBy A 24 GLU HA 1.0 1.687 3.147 5 2 A 114 ASP HBx A 114 ASP HA 1.0 1.687 3.147 6 3 A 27 TYR HBx A 28 LEU HG 1.0 1.682 3.130 7 3 A 3 GLU HBx A 4 PHE HBx 1.0 1.682 3.130 8 3 A 3 GLU HBx A 4 PHE HBy 1.0 1.682 3.130 9 3 A 3 GLU HBy A 4 PHE HBy 1.0 1.682 3.130 10 3 A 27 TYR HBy A 28 LEU HG 1.0 1.682 3.130 11 3 A 114 ASP HBx A 80 PRO HGx 1.0 1.682 3.130 12 3 A 27 TYR HBy A 28 LEU HBx 1.0 1.682 3.130 13 3 A 27 TYR HBx A 28 LEU HBx 1.0 1.682 3.130 14 3 A 3 GLU HBy A 4 PHE HBx 1.0 1.682 3.130 15 4 A 114 ASP HBx A 95 LYS HDx 1.0 1.716 3.272 16 4 A 114 ASP HBx A 116 LYS HDx 1.0 1.716 3.272 17 4 A 114 ASP HBx A 116 LYS HDy 1.0 1.716 3.272 18 4 A 114 ASP HBx A 95 LYS HDy 1.0 1.716 3.272 19 4 A 114 ASP HBx A 80 PRO HGy 1.0 1.716 3.272 20 5 A 114 ASP HBy A 81 PHE HBx 1.0 1.462 2.390 21 5 A 114 ASP HBx A 114 ASP HBy 1.0 1.462 2.390 22 6 A 114 ASP HBy A 116 LYS HDx 1.0 1.744 3.398 23 6 A 114 ASP HBy A 116 LYS HDy 1.0 1.744 3.398 24 6 A 114 ASP HBy A 80 PRO HGy 1.0 1.744 3.398 25 7 A 24 GLU H A 25 LYS H 1.0 1.708 3.236 26 7 A 7 ALA H A 6 LYS H 1.0 1.708 3.236 27 7 A 6 LYS H A 5 GLU H 1.0 1.708 3.236 28 8 A 95 LYS H A 96 LYS H 1.0 1.679 3.115 29 8 A 12 VAL H A 11 ALA H 1.0 1.679 3.115 30 9 A 45 ILE HB A 45 ILE HG2% 1.0 1.447 2.345 31 9 A 45 ILE HB A 45 ILE HD1% 1.0 1.447 2.345 32 10 A 45 ILE HB A 45 ILE HG13 1.0 1.653 3.015 33 10 A 45 ILE HB A 15 ALA HB% 1.0 1.653 3.015 34 11 A 74 ILE HB A 74 ILE HG2% 1.0 1.483 2.451 35 11 A 89 LEU HDy% A 89 LEU HBy 1.0 1.483 2.451 36 12 A 13 ARG H A 15 ALA H 1.0 1.873 4.109 37 12 A 107 TYR H A 108 PHE H 1.0 1.873 4.109 38 13 A 24 GLU HGy A 28 LEU HDy% 1.0 1.760 3.472 39 13 A 24 GLU HGy A 28 LEU HDx% 1.0 1.760 3.472 40 13 A 24 GLU HGy A 89 LEU HDx% 1.0 1.760 3.472 41 14 A 39 LYS HBy A 39 LYS HGy 1.0 1.492 2.476 42 14 A 109 LYS HGx A 109 LYS HBx 1.0 1.492 2.476 43 14 A 109 LYS HGy A 109 LYS HBy 1.0 1.492 2.476 44 14 A 109 LYS HGx A 109 LYS HBy 1.0 1.492 2.476 45 14 A 39 LYS HBy A 39 LYS HGx 1.0 1.492 2.476 46 14 A 109 LYS HGy A 109 LYS HBx 1.0 1.492 2.476 47 14 A 39 LYS HGx A 39 LYS HBx 1.0 1.492 2.476 48 14 A 39 LYS HGy A 39 LYS HBx 1.0 1.492 2.476 49 15 A 39 LYS HBy A 39 LYS HEy 1.0 1.746 3.404 50 15 A 39 LYS HBy A 39 LYS HEx 1.0 1.746 3.404 51 15 A 113 LYS HBy A 113 LYS HEy 1.0 1.746 3.404 52 15 A 39 LYS HBx A 39 LYS HEy 1.0 1.746 3.404 53 15 A 113 LYS HBy A 113 LYS HEx 1.0 1.746 3.404 54 15 A 39 LYS HBx A 39 LYS HEx 1.0 1.746 3.404 55 16 A 49 GLU HGx A 49 GLU HBy 1.0 1.374 2.150 56 16 A 47 GLU HGx A 47 GLU HBy 1.0 1.374 2.150 57 16 A 49 GLU HGy A 49 GLU HBy 1.0 1.374 2.150 58 16 A 68 MET HGx A 68 MET HBx 1.0 1.374 2.150 59 16 A 47 GLU HGx A 47 GLU HBx 1.0 1.374 2.150 60 16 A 68 MET HGy A 68 MET HBx 1.0 1.374 2.150 61 17 A 47 GLU HGx A 74 ILE HD1% 1.0 1.700 3.202 62 17 A 47 GLU HGx A 105 LEU HDx% 1.0 1.700 3.202 63 18 A 47 GLU HGy A 74 ILE HD1% 1.0 1.729 3.327 64 18 A 47 GLU HGy A 105 LEU HDx% 1.0 1.729 3.327 65 19 A 113 LYS HBx A 113 LYS HEy 1.0 1.725 3.305 66 19 A 96 LYS HBy A 96 LYS HEx 1.0 1.725 3.305 67 19 A 96 LYS HBy A 96 LYS HEy 1.0 1.725 3.305 68 19 A 54 ARG HBx A 54 ARG HDy 1.0 1.725 3.305 69 19 A 113 LYS HBx A 113 LYS HEx 1.0 1.725 3.305 70 19 A 54 ARG HBy A 54 ARG HDx 1.0 1.725 3.305 71 19 A 54 ARG HBx A 54 ARG HDx 1.0 1.725 3.305 72 19 A 54 ARG HBy A 54 ARG HDy 1.0 1.725 3.305 73 19 A 96 LYS HEx A 96 LYS HBx 1.0 1.725 3.305 74 19 A 96 LYS HEy A 96 LYS HBx 1.0 1.725 3.305 75 20 A 49 GLU HGy A 12 VAL HGy% 1.0 1.738 3.364 76 20 A 49 GLU HGx A 12 VAL HGx% 1.0 1.738 3.364 77 20 A 49 GLU HGy A 12 VAL HGx% 1.0 1.738 3.364 78 20 A 49 GLU HGx A 12 VAL HGy% 1.0 1.738 3.364 79 21 A 94 CYS H A 82 ILE HA 1.0 1.858 4.012 80 21 A 94 CYS H A 81 PHE HA 1.0 1.858 4.012 81 22 A 89 LEU H A 88 ASN HA 1.0 1.846 3.936 82 22 A 89 LEU H A 87 GLU HA 1.0 1.846 3.936 83 23 A 88 ASN H A 88 ASN HA 1.0 1.815 3.751 84 23 A 88 ASN H A 87 GLU HA 1.0 1.815 3.751 85 24 A 23 MET HGy A 68 MET HBy 1.0 1.743 3.387 86 24 A 23 MET HGy A 68 MET HBx 1.0 1.743 3.387 87 24 A 23 MET HGx A 68 MET HBx 1.0 1.743 3.387 88 24 A 68 MET HBx A 67 PHE HBx 1.0 1.743 3.387 89 24 A 67 PHE HBx A 68 MET HBy 1.0 1.743 3.387 90 24 A 23 MET HGx A 68 MET HBy 1.0 1.743 3.387 91 25 A 47 GLU HGy A 47 GLU HBx 1.0 1.340 2.064 92 25 A 47 GLU HGy A 47 GLU HBy 1.0 1.340 2.064 93 25 A 47 GLU HGx A 47 GLU HBx 1.0 1.340 2.064 94 25 A 47 GLU HGx A 47 GLU HBy 1.0 1.340 2.064 95 26 A 78 LYS HBx A 78 LYS HGy 1.0 1.612 2.864 96 26 A 78 LYS HBx A 78 LYS HGx 1.0 1.612 2.864 97 26 A 76 LYS HBx A 109 LYS HGx 1.0 1.612 2.864 98 26 A 76 LYS HBx A 109 LYS HGy 1.0 1.612 2.864 99 27 A 105 LEU HDx% A 47 GLU HBx 1.0 1.740 3.376 100 27 A 74 ILE HD1% A 47 GLU HBy 1.0 1.740 3.376 101 27 A 74 ILE HD1% A 47 GLU HBx 1.0 1.740 3.376 102 27 A 105 LEU HDx% A 47 GLU HBy 1.0 1.740 3.376 103 28 A 25 LYS HBx A 25 LYS HGy 1.0 1.471 2.415 104 28 A 25 LYS HBy A 25 LYS HGy 1.0 1.471 2.415 105 28 A 6 LYS HBx A 6 LYS HGy 1.0 1.471 2.415 106 28 A 6 LYS HBy A 6 LYS HGy 1.0 1.471 2.415 107 29 A 85 MET HGx A 23 MET HGx 1.0 1.669 3.077 108 29 A 23 MET HGy A 68 MET HBx 1.0 1.669 3.077 109 29 A 23 MET HGx A 68 MET HBx 1.0 1.669 3.077 110 29 A 85 MET HGy A 23 MET HGy 1.0 1.669 3.077 111 29 A 85 MET HGx A 23 MET HGy 1.0 1.669 3.077 112 29 A 85 MET HGy A 23 MET HGx 1.0 1.669 3.077 113 30 A 85 MET HGx A 23 MET HGx 1.0 1.660 3.042 114 30 A 80 PRO HBy A 112 ASP HBy 1.0 1.660 3.042 115 30 A 80 PRO HBx A 112 ASP HBy 1.0 1.660 3.042 116 30 A 85 MET HGy A 23 MET HGy 1.0 1.660 3.042 117 30 A 85 MET HGx A 23 MET HGy 1.0 1.660 3.042 118 30 A 85 MET HGy A 23 MET HGx 1.0 1.660 3.042 119 31 A 85 MET HGx A 23 MET HE% 1.0 1.609 2.853 120 31 A 85 MET HGy A 23 MET HE% 1.0 1.609 2.853 121 31 A 44 PRO HBx A 44 PRO HBy 1.0 1.609 2.853 122 32 A 25 LYS HBy A 25 LYS HGx 1.0 1.495 2.487 123 32 A 25 LYS HBx A 25 LYS HGx 1.0 1.495 2.487 124 32 A 8 LYS HBx A 8 LYS HGx 1.0 1.495 2.487 125 32 A 8 LYS HBy A 8 LYS HGx 1.0 1.495 2.487 126 33 A 80 PRO HBx A 80 PRO HGy 1.0 1.681 3.125 127 33 A 80 PRO HBy A 80 PRO HGy 1.0 1.681 3.125 128 33 A 44 PRO HBx A 44 PRO HGy 1.0 1.681 3.125 129 34 A 99 SER HA A 99 SER H 1.0 1.793 3.631 130 34 A 98 ALA HA A 99 SER H 1.0 1.793 3.631 131 35 A 12 VAL HGy% A 12 VAL HB 1.0 1.481 2.443 132 35 A 12 VAL HGx% A 12 VAL HB 1.0 1.481 2.443 133 36 A 7 ALA H A 4 PHE HA 1.0 1.803 3.683 134 36 A 5 GLU H A 4 PHE HA 1.0 1.803 3.683 135 37 A 25 LYS HA A 24 GLU HBy 1.0 1.696 3.186 136 37 A 5 GLU HBx A 5 GLU HA 1.0 1.696 3.186 137 38 A 84 LYS HGx A 96 LYS HDy 1.0 1.541 2.627 138 38 A 84 LYS HGx A 96 LYS HDx 1.0 1.541 2.627 139 38 A 82 ILE HD1% A 96 LYS HDy 1.0 1.541 2.627 140 38 A 84 LYS HGy A 96 LYS HDy 1.0 1.541 2.627 141 38 A 84 LYS HGy A 96 LYS HDx 1.0 1.541 2.627 142 38 A 82 ILE HD1% A 96 LYS HDx 1.0 1.541 2.627 143 39 A 18 GLU H A 18 GLU HA 1.0 1.657 3.031 144 39 A 18 GLU H A 15 ALA HA 1.0 1.657 3.031 145 40 A 18 GLU HA A 18 GLU HBx 1.0 1.617 2.881 146 40 A 15 ALA HA A 18 GLU HBx 1.0 1.617 2.881 147 41 A 18 GLU HGx A 18 GLU HBx 1.0 1.432 2.306 148 41 A 18 GLU HGy A 18 GLU HBx 1.0 1.432 2.306 149 42 A 10 ASN H A 8 LYS HA 1.0 1.803 3.687 150 42 A 10 ASN H A 7 ALA HA 1.0 1.803 3.687 151 43 A 18 GLU HGy A 18 GLU HBy 1.0 1.453 2.365 152 43 A 18 GLU HGx A 18 GLU HBy 1.0 1.453 2.365 153 44 A 18 GLU HA A 18 GLU HBy 1.0 1.620 2.894 154 44 A 15 ALA HA A 18 GLU HBy 1.0 1.620 2.894 155 45 A 97 SER HBy A 96 LYS HDx 1.0 1.589 2.787 156 45 A 6 LYS HDx A 5 GLU HA 1.0 1.589 2.787 157 45 A 3 GLU HA A 6 LYS HDy 1.0 1.589 2.787 158 45 A 3 GLU HA A 6 LYS HDx 1.0 1.589 2.787 159 45 A 6 LYS HDy A 5 GLU HA 1.0 1.589 2.787 160 45 A 97 SER HBy A 96 LYS HDy 1.0 1.589 2.787 161 46 A 14 ALA H A 14 ALA HA 1.0 1.657 3.029 162 46 A 8 LYS H A 8 LYS HA 1.0 1.657 3.029 163 47 A 29 GLN H A 29 GLN HA 1.0 1.854 3.980 164 47 A 29 GLN H A 28 LEU HA 1.0 1.854 3.980 165 48 A 6 LYS H A 5 GLU HA 1.0 1.744 3.396 166 48 A 6 LYS H A 3 GLU HA 1.0 1.744 3.396 167 49 A 116 LYS HDy A 116 LYS HEx 1.0 1.368 2.136 168 49 A 116 LYS HDx A 116 LYS HEx 1.0 1.368 2.136 169 49 A 116 LYS HDx A 116 LYS HEy 1.0 1.368 2.136 170 49 A 116 LYS HDy A 116 LYS HEy 1.0 1.368 2.136 171 50 A 25 LYS HA A 25 LYS H 1.0 1.717 3.273 172 50 A 5 GLU H A 5 GLU HA 1.0 1.717 3.273 173 51 A 72 VAL HA A 113 LYS HDx 1.0 1.703 3.215 174 51 A 72 VAL HA A 113 LYS HDy 1.0 1.703 3.215 175 51 A 66 LYS HDx A 38 THR HA 1.0 1.703 3.215 176 51 A 66 LYS HDy A 38 THR HA 1.0 1.703 3.215 177 52 A 39 LYS HEx A 39 LYS HDy 1.0 1.301 1.971 178 52 A 113 LYS HEx A 113 LYS HDx 1.0 1.301 1.971 179 52 A 109 LYS HDx A 109 LYS HEx 1.0 1.301 1.971 180 52 A 39 LYS HEx A 39 LYS HDx 1.0 1.301 1.971 181 52 A 109 LYS HDx A 109 LYS HEy 1.0 1.301 1.971 182 52 A 109 LYS HDy A 109 LYS HEx 1.0 1.301 1.971 183 52 A 113 LYS HEy A 113 LYS HDx 1.0 1.301 1.971 184 52 A 39 LYS HEy A 39 LYS HDy 1.0 1.301 1.971 185 52 A 96 LYS HEx A 96 LYS HDy 1.0 1.301 1.971 186 52 A 96 LYS HEy A 96 LYS HDy 1.0 1.301 1.971 187 52 A 109 LYS HDy A 109 LYS HEy 1.0 1.301 1.971 188 52 A 113 LYS HEy A 113 LYS HDy 1.0 1.301 1.971 189 52 A 39 LYS HEy A 39 LYS HDx 1.0 1.301 1.971 190 52 A 113 LYS HEx A 113 LYS HDy 1.0 1.301 1.971 191 52 A 96 LYS HEx A 96 LYS HDx 1.0 1.301 1.971 192 52 A 96 LYS HEy A 96 LYS HDx 1.0 1.301 1.971 193 53 A 20 ALA H A 20 ALA HA 1.0 1.733 3.343 194 53 A 20 ALA H A 17 LEU HA 1.0 1.733 3.343 195 54 A 17 LEU H A 17 LEU HA 1.0 1.748 3.410 196 54 A 17 LEU H A 16 LEU HA 1.0 1.748 3.410 197 55 A 21 HIS H A 20 ALA HA 1.0 1.891 4.237 198 55 A 21 HIS H A 17 LEU HA 1.0 1.891 4.237 199 56 A 8 LYS HGy A 8 LYS HDy 1.0 1.474 2.422 200 56 A 8 LYS HGy A 8 LYS HDx 1.0 1.474 2.422 201 56 A 49 GLU HBy A 11 ALA HB% 1.0 1.474 2.422 202 57 A 19 ASN H A 17 LEU HA 1.0 1.797 3.655 203 57 A 19 ASN H A 16 LEU HA 1.0 1.797 3.655 204 58 A 18 GLU H A 17 LEU HA 1.0 1.865 4.059 205 58 A 18 GLU H A 16 LEU HA 1.0 1.865 4.059 206 59 A 83 ILE HG13 A 83 ILE HD1% 1.0 1.596 2.810 207 59 A 9 ILE HG13 A 83 ILE HG13 1.0 1.596 2.810 208 59 A 9 ILE HG12 A 83 ILE HG12 1.0 1.596 2.810 209 59 A 9 ILE HG12 A 83 ILE HG13 1.0 1.596 2.810 210 59 A 83 ILE HG12 A 83 ILE HD1% 1.0 1.596 2.810 211 59 A 9 ILE HG13 A 83 ILE HG12 1.0 1.596 2.810 212 60 A 49 GLU HA A 49 GLU HBy 1.0 1.696 3.188 213 60 A 43 LEU HA A 43 LEU HG 1.0 1.696 3.188 214 61 A 20 ALA H A 21 HIS HBy 1.0 1.870 4.094 215 61 A 20 ALA H A 21 HIS HBx 1.0 1.870 4.094 216 62 A 80 PRO HGx A 80 PRO HGy 1.0 1.476 2.430 217 62 A 44 PRO HGx A 44 PRO HGy 1.0 1.476 2.430 218 63 A 74 ILE HA A 75 ASP H 1.0 1.834 3.864 219 63 A 73 ALA HA A 75 ASP H 1.0 1.834 3.864 220 64 A 116 LYS HBy A 93 ILE HG13 1.0 1.645 2.985 221 64 A 93 ILE HG13 A 93 ILE HB 1.0 1.645 2.985 222 65 A 80 PRO HGx A 80 PRO HDy 1.0 1.643 2.979 223 65 A 44 PRO HGx A 44 PRO HDy 1.0 1.643 2.979 224 66 A 12 VAL H A 12 VAL HA 1.0 1.745 3.401 225 66 A 95 LYS H A 94 CYS HBx 1.0 1.745 3.401 226 67 A 16 LEU HG A 16 LEU HDx% 1.0 1.581 2.755 227 67 A 16 LEU HG A 83 ILE HG2% 1.0 1.581 2.755 228 68 A 8 LYS H A 8 LYS HEx 1.0 1.866 4.060 229 68 A 8 LYS H A 8 LYS HEy 1.0 1.866 4.060 230 68 A 8 LYS H A 4 PHE HBy 1.0 1.866 4.060 231 69 A 116 LYS H A 115 CYS HBx 1.0 1.875 4.121 232 69 A 116 LYS H A 81 PHE HBx 1.0 1.875 4.121 233 70 A 82 ILE H A 81 PHE HBx 1.0 1.836 3.870 234 70 A 82 ILE H A 81 PHE HBy 1.0 1.836 3.870 235 71 A 6 LYS HGx A 6 LYS HGy 1.0 1.306 1.982 236 71 A 25 LYS HGy A 25 LYS HGx 1.0 1.306 1.982 237 72 A 95 LYS H A 115 CYS HBy 1.0 1.809 3.717 238 72 A 91 THR H A 118 PHE HBy 1.0 1.809 3.717 239 73 A 25 LYS HA A 25 LYS HGy 1.0 1.716 3.268 240 73 A 3 GLU HA A 6 LYS HGy 1.0 1.716 3.268 241 74 A 25 LYS HGy A 26 PHE HA 1.0 1.640 2.968 242 74 A 109 LYS HGx A 76 LYS HA 1.0 1.640 2.968 243 74 A 109 LYS HGy A 76 LYS HA 1.0 1.640 2.968 244 75 A 96 LYS HGy A 96 LYS HA 1.0 1.737 3.359 245 75 A 39 LYS HA A 39 LYS HGx 1.0 1.737 3.359 246 75 A 113 LYS HA A 113 LYS HGy 1.0 1.737 3.359 247 75 A 39 LYS HA A 39 LYS HGy 1.0 1.737 3.359 248 75 A 96 LYS HA A 96 LYS HGx 1.0 1.737 3.359 249 75 A 113 LYS HA A 113 LYS HGx 1.0 1.737 3.359 250 76 A 109 LYS HGy A 109 LYS HEx 1.0 1.395 2.205 251 76 A 66 LYS HGy A 66 LYS HEy 1.0 1.395 2.205 252 76 A 66 LYS HGx A 66 LYS HEx 1.0 1.395 2.205 253 76 A 109 LYS HGx A 109 LYS HEy 1.0 1.395 2.205 254 76 A 66 LYS HGy A 66 LYS HEx 1.0 1.395 2.205 255 76 A 109 LYS HGx A 109 LYS HEx 1.0 1.395 2.205 256 76 A 96 LYS HEx A 96 LYS HGy 1.0 1.395 2.205 257 76 A 109 LYS HGy A 109 LYS HEy 1.0 1.395 2.205 258 76 A 66 LYS HGx A 66 LYS HEy 1.0 1.395 2.205 259 76 A 96 LYS HEy A 96 LYS HGx 1.0 1.395 2.205 260 76 A 96 LYS HEx A 96 LYS HGx 1.0 1.395 2.205 261 76 A 96 LYS HEy A 96 LYS HGy 1.0 1.395 2.205 262 77 A 76 LYS HGx A 113 LYS HDx 1.0 1.698 3.196 263 77 A 76 LYS HGy A 113 LYS HDx 1.0 1.698 3.196 264 77 A 76 LYS HGy A 76 LYS HBy 1.0 1.698 3.196 265 77 A 76 LYS HGx A 76 LYS HBy 1.0 1.698 3.196 266 77 A 76 LYS HGx A 113 LYS HDy 1.0 1.698 3.196 267 77 A 76 LYS HGy A 113 LYS HDy 1.0 1.698 3.196 268 78 A 5 GLU H A 5 GLU HBx 1.0 1.651 3.009 269 78 A 24 GLU HBy A 25 LYS H 1.0 1.651 3.009 270 79 A 76 LYS H A 79 ASN HBx 1.0 1.874 4.118 271 79 A 76 LYS H A 75 ASP HBy 1.0 1.874 4.118 272 80 A 105 LEU HG A 105 LEU HDx% 1.0 1.360 2.116 273 80 A 53 ILE HG13 A 16 LEU HDy% 1.0 1.360 2.116 274 80 A 117 LEU HG A 117 LEU HDx% 1.0 1.360 2.116 275 80 A 53 ILE HG12 A 16 LEU HDy% 1.0 1.360 2.116 276 81 A 50 GLY H A 49 GLU HGx 1.0 1.873 4.111 277 81 A 50 GLY H A 49 GLU HGy 1.0 1.873 4.111 278 81 A 50 GLY H A 47 GLU HGx 1.0 1.873 4.111 279 82 A 8 LYS HGx A 8 LYS HDx 1.0 1.424 2.284 280 82 A 8 LYS HGx A 8 LYS HDy 1.0 1.424 2.284 281 82 A 8 LYS HBy A 8 LYS HGx 1.0 1.424 2.284 282 82 A 25 LYS HBx A 25 LYS HGx 1.0 1.424 2.284 283 82 A 8 LYS HBx A 8 LYS HGx 1.0 1.424 2.284 284 82 A 25 LYS HBy A 25 LYS HGx 1.0 1.424 2.284 285 83 A 116 LYS HBx A 116 LYS HGy 1.0 1.436 2.314 286 83 A 116 LYS HBx A 116 LYS HGx 1.0 1.436 2.314 287 83 A 8 LYS HGy A 8 LYS HDx 1.0 1.436 2.314 288 83 A 8 LYS HBx A 8 LYS HGy 1.0 1.436 2.314 289 83 A 8 LYS HGy A 8 LYS HDy 1.0 1.436 2.314 290 83 A 8 LYS HBy A 8 LYS HGy 1.0 1.436 2.314 291 84 A 119 LYS HGx A 119 LYS HDx 1.0 1.439 2.323 292 84 A 76 LYS HGy A 76 LYS HDy 1.0 1.439 2.323 293 84 A 76 LYS HGy A 76 LYS HDx 1.0 1.439 2.323 294 84 A 119 LYS HGy A 119 LYS HDx 1.0 1.439 2.323 295 84 A 119 LYS HGx A 119 LYS HDy 1.0 1.439 2.323 296 84 A 76 LYS HGx A 76 LYS HDy 1.0 1.439 2.323 297 84 A 76 LYS HGx A 76 LYS HDx 1.0 1.439 2.323 298 84 A 119 LYS HGy A 119 LYS HDy 1.0 1.439 2.323 299 85 A 28 LEU HDy% A 28 LEU HBx 1.0 1.332 2.044 300 85 A 28 LEU HDx% A 28 LEU HG 1.0 1.332 2.044 301 85 A 28 LEU HDy% A 28 LEU HG 1.0 1.332 2.044 302 85 A 28 LEU HDx% A 28 LEU HBx 1.0 1.332 2.044 303 86 A 89 LEU HDx% A 20 ALA HA 1.0 1.437 2.317 304 86 A 89 LEU HA A 89 LEU HDx% 1.0 1.437 2.317 305 87 A 12 VAL H A 49 GLU HGx 1.0 1.841 3.901 306 87 A 12 VAL H A 49 GLU HGy 1.0 1.841 3.901 307 87 A 53 ILE H A 47 GLU HGx 1.0 1.841 3.901 308 88 A 16 LEU HDx% A 16 LEU HDy% 1.0 1.375 2.153 309 88 A 117 LEU HDy% A 117 LEU HDx% 1.0 1.375 2.153 310 89 A 47 GLU H A 47 GLU HGx 1.0 1.781 3.569 311 89 A 47 GLU H A 46 LYS HBx 1.0 1.781 3.569 312 90 A 55 LEU HDx% A 55 LEU HBy 1.0 1.416 2.262 313 90 A 105 LEU HBy A 105 LEU HDx% 1.0 1.416 2.262 314 90 A 105 LEU HBx A 105 LEU HDx% 1.0 1.416 2.262 315 90 A 43 LEU HBx A 55 LEU HDx% 1.0 1.416 2.262 316 90 A 43 LEU HBy A 55 LEU HDx% 1.0 1.416 2.262 317 91 A 10 ASN H A 13 ARG HBx 1.0 1.870 4.090 318 91 A 10 ASN H A 13 ARG HBy 1.0 1.870 4.090 319 91 A 10 ASN H A 8 LYS HBx 1.0 1.870 4.090 320 91 A 10 ASN H A 8 LYS HBy 1.0 1.870 4.090 321 92 A 14 ALA H A 13 ARG HBx 1.0 1.520 2.562 322 92 A 14 ALA H A 13 ARG HBy 1.0 1.520 2.562 323 92 A 8 LYS H A 8 LYS HBx 1.0 1.520 2.562 324 92 A 8 LYS H A 8 LYS HBy 1.0 1.520 2.562 325 93 A 28 LEU H A 28 LEU HG 1.0 1.684 3.136 326 93 A 28 LEU H A 28 LEU HBx 1.0 1.684 3.136 327 94 A 53 ILE HA A 71 ALA HB% 1.0 1.755 3.443 328 94 A 47 GLU HA A 48 ALA HB% 1.0 1.755 3.443 329 95 A 106 ASP HBy A 105 LEU HDy% 1.0 1.741 3.379 330 95 A 89 LEU HDy% A 24 GLU HGx 1.0 1.741 3.379 331 96 A 116 LYS HBy A 116 LYS H 1.0 1.789 3.613 332 96 A 116 LYS H A 93 ILE HB 1.0 1.789 3.613 333 97 A 105 LEU HG A 105 LEU HDy% 1.0 1.329 2.039 334 97 A 89 LEU HDy% A 89 LEU HG 1.0 1.329 2.039 335 98 A 116 LYS HBy A 93 ILE H 1.0 1.794 3.638 336 98 A 93 ILE H A 93 ILE HB 1.0 1.794 3.638 337 99 A 19 ASN HBy A 43 LEU HDx% 1.0 1.712 3.254 338 99 A 18 GLU HGx A 43 LEU HDy% 1.0 1.712 3.254 339 99 A 19 ASN HBy A 43 LEU HDy% 1.0 1.712 3.254 340 99 A 18 GLU HGx A 43 LEU HDx% 1.0 1.712 3.254 341 100 A 55 LEU H A 55 LEU HBx 1.0 1.858 4.012 342 100 A 55 LEU H A 54 ARG HBx 1.0 1.858 4.012 343 100 A 55 LEU H A 54 ARG HBy 1.0 1.858 4.012 344 101 A 66 LYS HBy A 67 PHE H 1.0 1.853 3.979 345 101 A 66 LYS HDx A 67 PHE H 1.0 1.853 3.979 346 101 A 66 LYS HDy A 67 PHE H 1.0 1.853 3.979 347 102 A 77 ASP H A 76 LYS HBy 1.0 1.774 3.538 348 102 A 77 ASP H A 109 LYS HBx 1.0 1.774 3.538 349 102 A 77 ASP H A 109 LYS HBy 1.0 1.774 3.538 350 103 A 72 VAL HGy% A 98 ALA HB% 1.0 1.707 3.229 351 103 A 72 VAL HGy% A 82 ILE HG13 1.0 1.707 3.229 352 104 A 72 VAL HGy% A 72 VAL HGx% 1.0 1.372 2.144 353 104 A 72 VAL HGy% A 82 ILE HD1% 1.0 1.372 2.144 354 105 A 116 LYS HGx A 116 LYS H 1.0 1.854 3.982 355 105 A 116 LYS HGy A 116 LYS H 1.0 1.854 3.982 356 105 A 93 ILE HG12 A 116 LYS H 1.0 1.854 3.982 357 106 A 117 LEU H A 117 LEU HBx 1.0 1.643 2.979 358 106 A 116 LYS HGx A 117 LEU H 1.0 1.643 2.979 359 106 A 116 LYS HGy A 117 LEU H 1.0 1.643 2.979 360 107 A 119 LYS H A 119 LYS HDx 1.0 1.738 3.364 361 107 A 119 LYS H A 119 LYS HDy 1.0 1.738 3.364 362 107 A 119 LYS H A 119 LYS HBy 1.0 1.738 3.364 363 108 A 17 LEU H A 17 LEU HG 1.0 1.662 3.052 364 108 A 17 LEU H A 17 LEU HBy 1.0 1.662 3.052 365 109 A 53 ILE H A 53 ILE HB 1.0 1.609 2.857 366 109 A 53 ILE H A 53 ILE HG12 1.0 1.609 2.857 367 109 A 53 ILE H A 53 ILE HG13 1.0 1.609 2.857 368 110 A 71 ALA H A 83 ILE HB 1.0 1.856 4.000 369 110 A 71 ALA H A 53 ILE HG12 1.0 1.856 4.000 370 110 A 71 ALA H A 53 ILE HG13 1.0 1.856 4.000 371 111 A 118 PHE H A 117 LEU HG 1.0 1.843 3.913 372 111 A 118 PHE H A 117 LEU HBy 1.0 1.843 3.913 373 112 A 89 LEU H A 89 LEU HG 1.0 1.899 4.303 374 112 A 89 LEU H A 23 MET HBx 1.0 1.899 4.303 375 112 A 89 LEU H A 23 MET HBy 1.0 1.899 4.303 376 113 A 96 LYS H A 96 LYS HGx 1.0 1.854 3.982 377 113 A 96 LYS H A 96 LYS HGy 1.0 1.854 3.982 378 113 A 82 ILE HG13 A 96 LYS H 1.0 1.854 3.982 379 114 A 12 VAL HA A 12 VAL HGy% 1.0 1.515 2.545 380 114 A 51 PHE HBx A 12 VAL HGy% 1.0 1.515 2.545 381 115 A 53 ILE HG12 A 12 VAL HGy% 1.0 1.592 2.796 382 115 A 83 ILE HB A 12 VAL HGy% 1.0 1.592 2.796 383 115 A 53 ILE HG13 A 12 VAL HGy% 1.0 1.592 2.796 384 116 A 109 LYS HGx A 72 VAL HGx% 1.0 1.619 2.891 385 116 A 109 LYS HGy A 72 VAL HGx% 1.0 1.619 2.891 386 116 A 72 VAL HGx% A 98 ALA HB% 1.0 1.619 2.891 387 117 A 45 ILE HD1% A 15 ALA HB% 1.0 1.409 2.243 388 117 A 15 ALA HB% A 45 ILE HG2% 1.0 1.409 2.243 389 118 A 20 ALA H A 17 LEU HDx% 1.0 1.743 3.387 390 118 A 20 ALA H A 89 LEU HDx% 1.0 1.743 3.387 391 118 A 20 ALA H A 17 LEU HDy% 1.0 1.743 3.387 392 119 A 17 LEU H A 17 LEU HDy% 1.0 1.737 3.365 393 119 A 17 LEU H A 17 LEU HDx% 1.0 1.737 3.365 394 119 A 17 LEU H A 45 ILE HD1% 1.0 1.737 3.365 395 120 A 18 GLU H A 45 ILE HD1% 1.0 1.807 3.709 396 120 A 18 GLU H A 17 LEU HDy% 1.0 1.807 3.709 397 120 A 18 GLU H A 17 LEU HDx% 1.0 1.807 3.709 398 121 A 53 ILE HG2% A 53 ILE HG12 1.0 1.349 2.087 399 121 A 53 ILE HG2% A 53 ILE HB 1.0 1.349 2.087 400 121 A 53 ILE HG13 A 53 ILE HG2% 1.0 1.349 2.087 401 121 A 83 ILE HB A 83 ILE HG2% 1.0 1.349 2.087 402 122 A 83 ILE HD1% A 83 ILE HG2% 1.0 1.453 2.365 403 122 A 53 ILE HG2% A 55 LEU HDy% 1.0 1.453 2.365 404 123 A 89 LEU HA A 23 MET HE% 1.0 1.574 2.734 405 123 A 23 MET HE% A 20 ALA HA 1.0 1.574 2.734 406 124 A 101 CYS H A 72 VAL HGx% 1.0 1.834 3.864 407 124 A 101 CYS H A 74 ILE HD1% 1.0 1.834 3.864 408 125 A 84 LYS H A 93 ILE HG2% 1.0 1.897 4.287 409 125 A 84 LYS H A 84 LYS HGx 1.0 1.897 4.287 410 125 A 84 LYS H A 84 LYS HGy 1.0 1.897 4.287 411 126 A 106 ASP H A 105 LEU HDy% 1.0 1.808 3.710 412 126 A 106 ASP H A 74 ILE HG2% 1.0 1.808 3.710 413 127 A 105 LEU H A 105 LEU HDx% 1.0 1.755 3.445 414 127 A 105 LEU H A 105 LEU HDy% 1.0 1.755 3.445 415 127 A 105 LEU H A 74 ILE HD1% 1.0 1.755 3.445 416 128 A 17 LEU HA A 20 ALA HB% 1.0 1.393 2.199 417 128 A 20 ALA HB% A 20 ALA HA 1.0 1.393 2.199 418 129 A 20 ALA HB% A 17 LEU HDy% 1.0 1.361 2.115 419 129 A 20 ALA HB% A 17 LEU HDx% 1.0 1.361 2.115 420 129 A 89 LEU HDx% A 20 ALA HB% 1.0 1.361 2.115 421 130 A 8 LYS HA A 11 ALA HB% 1.0 1.340 2.062 422 130 A 14 ALA HA A 14 ALA HB% 1.0 1.340 2.062 423 131 A 10 ASN HBy A 7 ALA HB% 1.0 1.726 3.316 424 131 A 20 ALA HB% A 23 MET HGx 1.0 1.726 3.316 425 131 A 20 ALA HB% A 23 MET HGy 1.0 1.726 3.316 426 131 A 24 GLU HGx A 20 ALA HB% 1.0 1.726 3.316 427 132 A 85 MET HGy A 20 ALA HB% 1.0 1.485 2.455 428 132 A 49 GLU HGy A 14 ALA HB% 1.0 1.485 2.455 429 132 A 49 GLU HGy A 11 ALA HB% 1.0 1.485 2.455 430 132 A 85 MET HGx A 20 ALA HB% 1.0 1.485 2.455 431 132 A 49 GLU HGx A 14 ALA HB% 1.0 1.485 2.455 432 132 A 49 GLU HGx A 11 ALA HB% 1.0 1.485 2.455 433 133 A 7 ALA HA A 7 ALA HB% 1.0 1.310 1.992 434 133 A 11 ALA HA A 11 ALA HB% 1.0 1.310 1.992 435 134 A 12 VAL HA A 14 ALA HB% 1.0 1.703 3.213 436 134 A 12 VAL HA A 11 ALA HB% 1.0 1.703 3.213 437 135 A 8 LYS HEx A 11 ALA HB% 1.0 1.711 3.249 438 135 A 8 LYS HEy A 7 ALA HB% 1.0 1.711 3.249 439 135 A 8 LYS HEy A 11 ALA HB% 1.0 1.711 3.249 440 135 A 8 LYS HEx A 7 ALA HB% 1.0 1.711 3.249 441 136 A 6 LYS HBx A 7 ALA HB% 1.0 1.502 2.506 442 136 A 6 LYS HBy A 7 ALA HB% 1.0 1.502 2.506 443 136 A 49 GLU HBy A 11 ALA HB% 1.0 1.502 2.506 444 137 A 49 GLU HGy A 45 ILE HG2% 1.0 1.739 3.371 445 137 A 18 GLU HBy A 45 ILE HG2% 1.0 1.739 3.371 446 137 A 44 PRO HBx A 45 ILE HG2% 1.0 1.739 3.371 447 137 A 49 GLU HGx A 45 ILE HG2% 1.0 1.739 3.371 448 138 A 45 ILE HG13 A 45 ILE HG2% 1.0 1.392 2.196 449 138 A 15 ALA HB% A 45 ILE HG2% 1.0 1.392 2.196 450 139 A 15 ALA HA A 45 ILE HG2% 1.0 1.511 2.533 451 139 A 45 ILE HA A 45 ILE HG2% 1.0 1.511 2.533 452 140 A 45 ILE HB A 45 ILE HG2% 1.0 1.371 2.143 453 140 A 93 ILE HG2% A 93 ILE HB 1.0 1.371 2.143 454 141 A 55 LEU H A 43 LEU HDy% 1.0 1.808 3.716 455 141 A 55 LEU H A 53 ILE HG2% 1.0 1.808 3.716 456 141 A 55 LEU H A 43 LEU HDx% 1.0 1.808 3.716 457 142 A 16 LEU H A 16 LEU HDx% 1.0 1.765 3.491 458 142 A 16 LEU H A 83 ILE HG2% 1.0 1.765 3.491 459 143 A 45 ILE H A 43 LEU HDx% 1.0 1.845 3.933 460 143 A 45 ILE H A 43 LEU HDy% 1.0 1.845 3.933 461 143 A 45 ILE H A 53 ILE HG2% 1.0 1.845 3.933 462 144 A 10 ASN H A 83 ILE HD1% 1.0 1.894 4.258 463 144 A 10 ASN H A 9 ILE HG12 1.0 1.894 4.258 464 144 A 10 ASN H A 9 ILE HG13 1.0 1.894 4.258 465 145 A 93 ILE HG2% A 116 LYS HEy 1.0 1.609 2.853 466 145 A 74 ILE HG2% A 107 TYR HBx 1.0 1.609 2.853 467 145 A 93 ILE HG2% A 81 PHE HBx 1.0 1.609 2.853 468 146 A 93 ILE HG2% A 93 ILE HD1% 1.0 1.495 2.485 469 146 A 93 ILE HG2% A 9 ILE HG12 1.0 1.495 2.485 470 146 A 93 ILE HG2% A 9 ILE HG13 1.0 1.495 2.485 471 147 A 15 ALA H A 12 VAL HGx% 1.0 1.904 4.346 472 147 A 15 ALA H A 12 VAL HGy% 1.0 1.904 4.346 473 148 A 93 ILE HD1% A 9 ILE HG2% 1.0 1.450 2.354 474 148 A 9 ILE HG13 A 9 ILE HG2% 1.0 1.450 2.354 475 148 A 9 ILE HG12 A 9 ILE HG2% 1.0 1.450 2.354 476 149 A 53 ILE H A 52 CYS HBy 1.0 1.792 3.630 477 149 A 12 VAL H A 9 ILE HA 1.0 1.792 3.630 478 150 A 10 ASN H A 8 LYS H 1.0 1.843 3.915 479 150 A 6 LYS H A 8 LYS H 1.0 1.843 3.915 480 151 A 109 LYS HDx A 108 PHE H 1.0 1.821 3.789 481 151 A 109 LYS HDy A 108 PHE H 1.0 1.821 3.789 482 151 A 13 ARG H A 16 LEU HBx 1.0 1.821 3.789 483 151 A 13 ARG H A 16 LEU HBy 1.0 1.821 3.789 484 151 A 13 ARG H A 12 VAL HB 1.0 1.821 3.789 485 152 A 8 LYS H A 7 ALA HB% 1.0 1.553 2.663 486 152 A 14 ALA H A 14 ALA HB% 1.0 1.553 2.663 487 153 A 82 ILE HD1% A 96 LYS HBx 1.0 1.708 3.234 488 153 A 82 ILE HD1% A 113 LYS HDy 1.0 1.708 3.234 489 153 A 82 ILE HD1% A 113 LYS HDx 1.0 1.708 3.234 490 153 A 82 ILE HD1% A 96 LYS HBy 1.0 1.708 3.234 491 154 A 12 VAL HGx% A 83 ILE HD1% 1.0 1.464 2.394 492 154 A 12 VAL HGy% A 83 ILE HD1% 1.0 1.464 2.394 493 155 A 53 ILE HB A 53 ILE HD1% 1.0 1.425 2.285 494 155 A 53 ILE HG12 A 53 ILE HD1% 1.0 1.425 2.285 495 155 A 53 ILE HG13 A 53 ILE HD1% 1.0 1.425 2.285 496 156 A 12 VAL HA A 53 ILE HD1% 1.0 1.747 3.407 497 156 A 51 PHE HBx A 53 ILE HD1% 1.0 1.747 3.407 498 157 A 93 ILE HD1% A 116 LYS HEy 1.0 1.749 3.415 499 157 A 93 ILE HD1% A 116 LYS HEx 1.0 1.749 3.415 500 158 A 18 GLU HGx A 45 ILE HD1% 1.0 1.554 2.666 501 158 A 45 ILE HD1% A 18 GLU HGy 1.0 1.554 2.666 502 159 A 45 ILE HD1% A 45 ILE HG13 1.0 1.396 2.206 503 159 A 45 ILE HD1% A 15 ALA HB% 1.0 1.396 2.206 504 160 A 93 ILE HD1% A 93 ILE HB 1.0 1.620 2.894 505 160 A 116 LYS HBy A 93 ILE HD1% 1.0 1.620 2.894 506 161 A 65 SER HBx A 65 SER HBy 1.0 1.388 2.188 507 161 A 102 SER HBy A 102 SER HBx 1.0 1.388 2.188 508 162 A 22 PHE HDy A 25 LYS HBy 1.0 1.746 3.404 509 162 A 22 PHE HDy A 43 LEU HG 1.0 1.746 3.404 510 162 A 22 PHE HDx A 25 LYS HBx 1.0 1.746 3.404 511 162 A 22 PHE HDx A 43 LEU HG 1.0 1.746 3.404 512 162 A 22 PHE HDx A 25 LYS HBy 1.0 1.746 3.404 513 162 A 22 PHE HDy A 25 LYS HBx 1.0 1.746 3.404 514 163 A 107 TYR HDy A 107 TYR HEx 1.0 1.372 2.146 515 163 A 81 PHE HDx A 81 PHE HEx 1.0 1.372 2.146 516 163 A 107 TYR HDy A 107 TYR HEy 1.0 1.372 2.146 517 163 A 81 PHE HDy A 81 PHE HEy 1.0 1.372 2.146 518 163 A 107 TYR HDx A 107 TYR HEy 1.0 1.372 2.146 519 163 A 81 PHE HDy A 81 PHE HEx 1.0 1.372 2.146 520 163 A 81 PHE HDx A 81 PHE HEy 1.0 1.372 2.146 521 163 A 107 TYR HDx A 107 TYR HEx 1.0 1.372 2.146 522 164 A 81 PHE HDy A 81 PHE HBx 1.0 1.599 2.817 523 164 A 107 TYR HDx A 107 TYR HBx 1.0 1.599 2.817 524 164 A 81 PHE HDx A 81 PHE HBx 1.0 1.599 2.817 525 164 A 107 TYR HDy A 107 TYR HBx 1.0 1.599 2.817 526 164 A 114 ASP HBx A 81 PHE HDx 1.0 1.599 2.817 527 164 A 114 ASP HBx A 81 PHE HDy 1.0 1.599 2.817 528 165 A 81 PHE HDy A 81 PHE HBy 1.0 1.607 2.847 529 165 A 81 PHE HDx A 81 PHE HBy 1.0 1.607 2.847 530 165 A 107 TYR HDy A 107 TYR HBy 1.0 1.607 2.847 531 165 A 107 TYR HDx A 107 TYR HBy 1.0 1.607 2.847 532 166 A 81 PHE HDy A 80 PRO HGy 1.0 1.711 3.251 533 166 A 81 PHE HDy A 116 LYS HDy 1.0 1.711 3.251 534 166 A 81 PHE HDx A 116 LYS HDx 1.0 1.711 3.251 535 166 A 81 PHE HDx A 80 PRO HGy 1.0 1.711 3.251 536 166 A 81 PHE HDy A 116 LYS HDx 1.0 1.711 3.251 537 166 A 81 PHE HDx A 116 LYS HDy 1.0 1.711 3.251 538 167 A 81 PHE HDy A 82 ILE HA 1.0 1.739 3.371 539 167 A 81 PHE HDx A 82 ILE HA 1.0 1.739 3.371 540 167 A 107 TYR HA A 107 TYR HDy 1.0 1.739 3.371 541 167 A 107 TYR HA A 107 TYR HDx 1.0 1.739 3.371 542 168 A 51 PHE HDy A 11 ALA HB% 1.0 1.645 2.985 543 168 A 81 PHE HDx A 116 LYS HGy 1.0 1.645 2.985 544 168 A 93 ILE HG12 A 118 PHE HDy 1.0 1.645 2.985 545 168 A 118 PHE HDx A 13 ARG HGy 1.0 1.645 2.985 546 168 A 51 PHE HDx A 8 LYS HGy 1.0 1.645 2.985 547 168 A 81 PHE HDy A 116 LYS HGy 1.0 1.645 2.985 548 168 A 81 PHE HDx A 116 LYS HGx 1.0 1.645 2.985 549 168 A 51 PHE HDy A 83 ILE HB 1.0 1.645 2.985 550 168 A 118 PHE HDx A 13 ARG HGx 1.0 1.645 2.985 551 168 A 51 PHE HDy A 8 LYS HGy 1.0 1.645 2.985 552 168 A 51 PHE HDx A 11 ALA HB% 1.0 1.645 2.985 553 168 A 93 ILE HG12 A 118 PHE HDx 1.0 1.645 2.985 554 168 A 118 PHE HDy A 13 ARG HGy 1.0 1.645 2.985 555 168 A 51 PHE HDx A 83 ILE HB 1.0 1.645 2.985 556 168 A 118 PHE HDy A 13 ARG HGx 1.0 1.645 2.985 557 168 A 81 PHE HDy A 116 LYS HGx 1.0 1.645 2.985 558 169 A 81 PHE HDy A 9 ILE HG12 1.0 1.613 2.869 559 169 A 81 PHE HDy A 9 ILE HG13 1.0 1.613 2.869 560 169 A 118 PHE HDx A 93 ILE HD1% 1.0 1.613 2.869 561 169 A 51 PHE HDx A 83 ILE HD1% 1.0 1.613 2.869 562 169 A 81 PHE HDx A 9 ILE HG12 1.0 1.613 2.869 563 169 A 118 PHE HDy A 93 ILE HD1% 1.0 1.613 2.869 564 169 A 51 PHE HDy A 83 ILE HD1% 1.0 1.613 2.869 565 169 A 81 PHE HDx A 9 ILE HG13 1.0 1.613 2.869 566 170 A 51 PHE HDx A 8 LYS HDy 1.0 1.708 3.234 567 170 A 51 PHE HDy A 49 GLU HBy 1.0 1.708 3.234 568 170 A 66 LYS HBx A 67 PHE HDy 1.0 1.708 3.234 569 170 A 51 PHE HDy A 8 LYS HDx 1.0 1.708 3.234 570 170 A 51 PHE HDx A 49 GLU HBy 1.0 1.708 3.234 571 170 A 51 PHE HDy A 8 LYS HDy 1.0 1.708 3.234 572 170 A 66 LYS HBx A 67 PHE HDx 1.0 1.708 3.234 573 170 A 118 PHE HDx A 13 ARG HBx 1.0 1.708 3.234 574 170 A 118 PHE HDy A 13 ARG HBx 1.0 1.708 3.234 575 170 A 118 PHE HDy A 13 ARG HBy 1.0 1.708 3.234 576 170 A 51 PHE HDx A 8 LYS HDx 1.0 1.708 3.234 577 170 A 118 PHE HDx A 13 ARG HBy 1.0 1.708 3.234 578 171 A 51 PHE HDy A 12 VAL HGy% 1.0 1.630 2.928 579 171 A 51 PHE HDy A 12 VAL HGx% 1.0 1.630 2.928 580 171 A 51 PHE HDx A 12 VAL HGx% 1.0 1.630 2.928 581 171 A 51 PHE HDx A 12 VAL HGy% 1.0 1.630 2.928 582 172 A 4 PHE HDy A 4 PHE HBy 1.0 1.604 2.838 583 172 A 4 PHE HDx A 4 PHE HBy 1.0 1.604 2.838 584 172 A 27 TYR HBx A 27 TYR HDy 1.0 1.604 2.838 585 172 A 27 TYR HBx A 27 TYR HDx 1.0 1.604 2.838 586 172 A 27 TYR HBy A 27 TYR HDx 1.0 1.604 2.838 587 172 A 27 TYR HBy A 27 TYR HDy 1.0 1.604 2.838 588 172 A 4 PHE HBx A 4 PHE HDy 1.0 1.604 2.838 589 172 A 4 PHE HBx A 4 PHE HDx 1.0 1.604 2.838 590 173 A 4 PHE HDy A 8 LYS HDx 1.0 1.765 3.493 591 173 A 4 PHE HDx A 8 LYS HDy 1.0 1.765 3.493 592 173 A 22 PHE HDy A 25 LYS HBy 1.0 1.765 3.493 593 173 A 4 PHE HDx A 8 LYS HDx 1.0 1.765 3.493 594 173 A 28 LEU HG A 27 TYR HDx 1.0 1.765 3.493 595 173 A 22 PHE HDx A 25 LYS HBx 1.0 1.765 3.493 596 173 A 22 PHE HDy A 43 LEU HG 1.0 1.765 3.493 597 173 A 28 LEU HG A 27 TYR HDy 1.0 1.765 3.493 598 173 A 22 PHE HDx A 25 LYS HBy 1.0 1.765 3.493 599 173 A 22 PHE HDx A 43 LEU HG 1.0 1.765 3.493 600 173 A 22 PHE HDy A 25 LYS HBx 1.0 1.765 3.493 601 173 A 4 PHE HDy A 8 LYS HDy 1.0 1.765 3.493 602 174 A 67 PHE HDx A 67 PHE HBy 1.0 1.615 2.873 603 174 A 114 ASP HBy A 81 PHE HDy 1.0 1.615 2.873 604 174 A 118 PHE HDx A 118 PHE HBy 1.0 1.615 2.873 605 174 A 67 PHE HDy A 67 PHE HBy 1.0 1.615 2.873 606 174 A 118 PHE HDy A 118 PHE HBy 1.0 1.615 2.873 607 174 A 114 ASP HBy A 81 PHE HDx 1.0 1.615 2.873 608 175 A 92 PHE HDx A 84 LYS HBx 1.0 1.768 3.510 609 175 A 92 PHE HDy A 117 LEU HBx 1.0 1.768 3.510 610 175 A 92 PHE HDx A 117 LEU HBx 1.0 1.768 3.510 611 175 A 8 LYS HGy A 51 PHE HZ 1.0 1.768 3.510 612 175 A 92 PHE HDx A 84 LYS HBy 1.0 1.768 3.510 613 175 A 92 PHE HDy A 84 LYS HBy 1.0 1.768 3.510 614 175 A 92 PHE HDy A 84 LYS HBx 1.0 1.768 3.510 615 176 A 107 TYR HDy A 107 TYR HEx 1.0 1.458 2.378 616 176 A 4 PHE HDx A 4 PHE HEx 1.0 1.458 2.378 617 176 A 107 TYR HDy A 107 TYR HEy 1.0 1.458 2.378 618 176 A 4 PHE HDy A 4 PHE HEy 1.0 1.458 2.378 619 176 A 81 PHE HDy A 81 PHE HEy 1.0 1.458 2.378 620 176 A 107 TYR HDx A 107 TYR HEy 1.0 1.458 2.378 621 176 A 81 PHE HDx A 81 PHE HEx 1.0 1.458 2.378 622 176 A 4 PHE HDx A 4 PHE HEy 1.0 1.458 2.378 623 176 A 107 TYR HDx A 107 TYR HEx 1.0 1.458 2.378 624 176 A 81 PHE HDx A 81 PHE HEy 1.0 1.458 2.378 625 176 A 81 PHE HDy A 81 PHE HEx 1.0 1.458 2.378 626 176 A 4 PHE HDy A 4 PHE HEx 1.0 1.458 2.378 627 177 A 81 PHE HEx A 80 PRO HGy 1.0 1.741 3.379 628 177 A 81 PHE HEy A 116 LYS HDy 1.0 1.741 3.379 629 177 A 81 PHE HEy A 80 PRO HGy 1.0 1.741 3.379 630 177 A 81 PHE HEx A 116 LYS HDy 1.0 1.741 3.379 631 177 A 81 PHE HEy A 116 LYS HDx 1.0 1.741 3.379 632 177 A 81 PHE HEx A 116 LYS HDx 1.0 1.741 3.379 633 178 A 81 PHE HEy A 9 ILE HB 1.0 1.642 2.976 634 178 A 8 LYS HGy A 4 PHE HDx 1.0 1.642 2.976 635 178 A 81 PHE HEx A 8 LYS HGy 1.0 1.642 2.976 636 178 A 81 PHE HEx A 9 ILE HB 1.0 1.642 2.976 637 178 A 7 ALA HB% A 4 PHE HDx 1.0 1.642 2.976 638 178 A 8 LYS HGy A 4 PHE HDy 1.0 1.642 2.976 639 178 A 81 PHE HEy A 8 LYS HGy 1.0 1.642 2.976 640 178 A 7 ALA HB% A 4 PHE HDy 1.0 1.642 2.976 641 179 A 81 PHE HEx A 8 LYS HBx 1.0 1.753 3.437 642 179 A 8 LYS HBy A 4 PHE HDx 1.0 1.753 3.437 643 179 A 81 PHE HEx A 8 LYS HBy 1.0 1.753 3.437 644 179 A 81 PHE HEy A 8 LYS HBx 1.0 1.753 3.437 645 179 A 28 LEU HG A 27 TYR HDx 1.0 1.753 3.437 646 179 A 81 PHE HEy A 8 LYS HBy 1.0 1.753 3.437 647 179 A 8 LYS HBy A 4 PHE HDy 1.0 1.753 3.437 648 179 A 28 LEU HG A 27 TYR HDy 1.0 1.753 3.437 649 179 A 8 LYS HBx A 4 PHE HDx 1.0 1.753 3.437 650 179 A 8 LYS HBx A 4 PHE HDy 1.0 1.753 3.437 651 180 A 92 PHE HEy A 90 VAL HGy% 1.0 1.622 2.900 652 180 A 92 PHE HEx A 90 VAL HGy% 1.0 1.622 2.900 653 180 A 51 PHE HEx A 83 ILE HD1% 1.0 1.622 2.900 654 180 A 51 PHE HEy A 83 ILE HD1% 1.0 1.622 2.900 655 181 A 51 PHE HEy A 51 PHE HZ 1.0 1.454 2.366 656 181 A 92 PHE HEx A 92 PHE HDx 1.0 1.454 2.366 657 181 A 51 PHE HEx A 51 PHE HZ 1.0 1.454 2.366 658 181 A 92 PHE HEx A 92 PHE HDy 1.0 1.454 2.366 659 181 A 92 PHE HEy A 92 PHE HDx 1.0 1.454 2.366 660 181 A 92 PHE HEy A 92 PHE HDy 1.0 1.454 2.366 661 182 A 53 ILE HA A 53 ILE HB 1.0 1.696 3.186 662 182 A 53 ILE HA A 53 ILE HG12 1.0 1.696 3.186 663 182 A 53 ILE HA A 53 ILE HG13 1.0 1.696 3.186 664 183 A 83 ILE HD1% A 83 ILE HA 1.0 1.714 3.260 665 183 A 93 ILE HD1% A 83 ILE HA 1.0 1.714 3.260 666 184 A 4 PHE HA A 4 PHE HBy 1.0 1.467 2.403 667 184 A 99 SER HA A 99 SER HBx 1.0 1.467 2.403 668 184 A 99 SER HA A 99 SER HBy 1.0 1.467 2.403 669 185 A 18 GLU HGy A 18 GLU HA 1.0 1.572 2.726 670 185 A 18 GLU HGx A 18 GLU HA 1.0 1.572 2.726 671 186 A 4 PHE HDx A 4 PHE HEx 1.0 1.606 2.844 672 186 A 27 TYR HDy A 27 TYR HEx 1.0 1.606 2.844 673 186 A 4 PHE HDy A 4 PHE HEy 1.0 1.606 2.844 674 186 A 27 TYR HDx A 27 TYR HEx 1.0 1.606 2.844 675 186 A 4 PHE HDy A 4 PHE HEx 1.0 1.606 2.844 676 186 A 4 PHE HDx A 4 PHE HEy 1.0 1.606 2.844 677 187 A 83 ILE HG12 A 83 ILE HA 1.0 1.714 3.262 678 187 A 83 ILE HG13 A 83 ILE HA 1.0 1.714 3.262 679 187 A 93 ILE HG2% A 83 ILE HA 1.0 1.714 3.262 680 188 A 5 GLU HBx A 5 GLU HA 1.0 1.549 2.651 681 188 A 3 GLU HA A 3 GLU HGx 1.0 1.549 2.651 682 188 A 3 GLU HGy A 3 GLU HA 1.0 1.549 2.651 683 189 A 3 GLU HA A 3 GLU HBx 1.0 1.322 2.020 684 189 A 3 GLU HA A 3 GLU HBy 1.0 1.322 2.020 685 189 A 25 LYS HA A 25 LYS HBx 1.0 1.322 2.020 686 189 A 25 LYS HBy A 25 LYS HA 1.0 1.322 2.020 687 190 A 93 ILE HA A 84 LYS HBx 1.0 1.710 3.242 688 190 A 93 ILE HA A 84 LYS HBy 1.0 1.710 3.242 689 190 A 93 ILE HG12 A 93 ILE HA 1.0 1.710 3.242 690 191 A 87 GLU HGx A 87 GLU HA 1.0 1.717 3.271 691 191 A 21 HIS HA A 24 GLU HBx 1.0 1.717 3.271 692 192 A 102 SER HBx A 102 SER HA 1.0 1.564 2.698 693 192 A 65 SER HBx A 65 SER HA 1.0 1.564 2.698 694 193 A 102 SER HBy A 102 SER HA 1.0 1.545 2.639 695 193 A 65 SER HBy A 65 SER HA 1.0 1.545 2.639 696 194 A 8 LYS HA A 11 ALA HB% 1.0 1.497 2.491 697 194 A 8 LYS HA A 8 LYS HGy 1.0 1.497 2.491 698 195 A 16 LEU HA A 85 MET HGx 1.0 1.724 3.302 699 195 A 16 LEU HA A 85 MET HGy 1.0 1.724 3.302 700 195 A 18 GLU HBy A 16 LEU HA 1.0 1.724 3.302 701 196 A 16 LEU HA A 19 ASN HBy 1.0 1.751 3.427 702 196 A 76 LYS HA A 79 ASN HBx 1.0 1.751 3.427 703 197 A 16 LEU HA A 16 LEU HDy% 1.0 1.453 2.365 704 197 A 76 LYS HA A 73 ALA HB% 1.0 1.453 2.365 705 198 A 21 HIS HA A 21 HIS HBx 1.0 1.614 2.872 706 198 A 21 HIS HA A 21 HIS HBy 1.0 1.614 2.872 707 198 A 87 GLU HA A 87 GLU HBx 1.0 1.614 2.872 708 199 A 29 GLN HBx A 29 GLN HA 1.0 1.400 2.218 709 199 A 29 GLN HBy A 29 GLN HA 1.0 1.400 2.218 710 199 A 8 LYS HA A 8 LYS HDx 1.0 1.400 2.218 711 199 A 8 LYS HA A 8 LYS HDy 1.0 1.400 2.218 712 200 A 76 LYS HBx A 76 LYS HA 1.0 1.485 2.455 713 200 A 17 LEU HA A 17 LEU HBx 1.0 1.485 2.455 714 201 A 119 LYS HA A 119 LYS HBy 1.0 1.372 2.144 715 201 A 17 LEU HA A 20 ALA HB% 1.0 1.372 2.144 716 202 A 76 LYS HGy A 76 LYS HA 1.0 1.538 2.618 717 202 A 76 LYS HGx A 76 LYS HA 1.0 1.538 2.618 718 202 A 119 LYS HGx A 119 LYS HA 1.0 1.538 2.618 719 202 A 119 LYS HGy A 119 LYS HA 1.0 1.538 2.618 720 203 A 95 LYS HEy A 95 LYS HA 1.0 1.741 3.381 721 203 A 95 LYS HEx A 95 LYS HA 1.0 1.741 3.381 722 203 A 46 LYS HA A 46 LYS HEx 1.0 1.741 3.381 723 203 A 46 LYS HA A 46 LYS HEy 1.0 1.741 3.381 724 204 A 95 LYS HBx A 95 LYS HA 1.0 1.594 2.800 725 204 A 95 LYS HBy A 95 LYS HA 1.0 1.594 2.800 726 204 A 46 LYS HBx A 46 LYS HA 1.0 1.594 2.800 727 205 A 95 LYS HA A 113 LYS HDx 1.0 1.618 2.886 728 205 A 95 LYS HA A 113 LYS HDy 1.0 1.618 2.886 729 205 A 46 LYS HBy A 46 LYS HA 1.0 1.618 2.886 730 206 A 92 PHE HA A 92 PHE HBy 1.0 1.679 3.117 731 206 A 51 PHE HBy A 51 PHE HA 1.0 1.679 3.117 732 207 A 73 ALA HB% A 51 PHE HA 1.0 1.594 2.804 733 207 A 74 ILE HD1% A 51 PHE HA 1.0 1.594 2.804 734 207 A 47 GLU HA A 74 ILE HD1% 1.0 1.594 2.804 735 208 A 77 ASP HA A 77 ASP HBx 1.0 1.473 2.421 736 208 A 10 ASN HBy A 10 ASN HA 1.0 1.473 2.421 737 209 A 89 LEU HBx A 89 LEU HA 1.0 1.573 2.729 738 209 A 49 GLU HGx A 49 GLU HA 1.0 1.573 2.729 739 209 A 49 GLU HGy A 49 GLU HA 1.0 1.573 2.729 740 210 A 52 CYS HA A 52 CYS HBy 1.0 1.731 3.337 741 210 A 108 PHE HBx A 108 PHE HA 1.0 1.731 3.337 742 211 A 47 GLU HA A 53 ILE HB 1.0 1.717 3.273 743 211 A 47 GLU HA A 53 ILE HG12 1.0 1.717 3.273 744 211 A 47 GLU HA A 53 ILE HG13 1.0 1.717 3.273 745 211 A 93 ILE HG12 A 92 PHE HA 1.0 1.717 3.273 746 212 A 107 TYR HA A 107 TYR HBx 1.0 1.579 2.751 747 212 A 81 PHE HBx A 81 PHE HA 1.0 1.579 2.751 748 213 A 107 TYR HA A 107 TYR HBy 1.0 1.603 2.835 749 213 A 81 PHE HA A 81 PHE HBy 1.0 1.603 2.835 750 214 A 96 LYS HEy A 96 LYS HA 1.0 1.707 3.231 751 214 A 113 LYS HEy A 96 LYS HA 1.0 1.707 3.231 752 214 A 113 LYS HEx A 96 LYS HA 1.0 1.707 3.231 753 214 A 39 LYS HA A 39 LYS HEx 1.0 1.707 3.231 754 214 A 96 LYS HEx A 96 LYS HA 1.0 1.707 3.231 755 214 A 113 LYS HA A 113 LYS HEy 1.0 1.707 3.231 756 214 A 109 LYS HEy A 109 LYS HA 1.0 1.707 3.231 757 214 A 113 LYS HA A 113 LYS HEx 1.0 1.707 3.231 758 214 A 109 LYS HEx A 109 LYS HA 1.0 1.707 3.231 759 214 A 39 LYS HA A 39 LYS HEy 1.0 1.707 3.231 760 215 A 109 LYS HBy A 109 LYS HA 1.0 1.394 2.202 761 215 A 113 LYS HBy A 113 LYS HA 1.0 1.394 2.202 762 215 A 39 LYS HA A 39 LYS HBy 1.0 1.394 2.202 763 215 A 39 LYS HA A 39 LYS HBx 1.0 1.394 2.202 764 215 A 96 LYS HBx A 96 LYS HA 1.0 1.394 2.202 765 215 A 109 LYS HBx A 109 LYS HA 1.0 1.394 2.202 766 215 A 96 LYS HBy A 96 LYS HA 1.0 1.394 2.202 767 216 A 113 LYS HA A 113 LYS HGx 1.0 1.474 2.422 768 216 A 113 LYS HA A 113 LYS HGy 1.0 1.474 2.422 769 216 A 39 LYS HA A 39 LYS HGx 1.0 1.474 2.422 770 216 A 39 LYS HA A 39 LYS HGy 1.0 1.474 2.422 771 217 A 30 ASN HA A 30 ASN HBx 1.0 1.672 3.088 772 217 A 30 ASN HA A 30 ASN HBy 1.0 1.672 3.088 773 217 A 19 ASN HA A 19 ASN HBy 1.0 1.672 3.088 774 218 A 10 ASN HBx A 7 ALA HA 1.0 1.656 3.026 775 218 A 112 ASP HA A 112 ASP HBx 1.0 1.656 3.026 776 219 A 40 TRP HH2 A 40 TRP HZ2 1.0 1.648 2.998 777 219 A 40 TRP HZ3 A 40 TRP HH2 1.0 1.648 2.998 778 220 A 114 ASP HA A 95 LYS HEx 1.0 1.487 2.461 779 220 A 114 ASP HA A 95 LYS HEy 1.0 1.487 2.461 780 220 A 114 ASP HBx A 114 ASP HA 1.0 1.487 2.461 781 221 A 45 ILE HD1% A 15 ALA HA 1.0 1.586 2.776 782 221 A 15 ALA HA A 45 ILE HG2% 1.0 1.586 2.776 783 222 A 54 ARG HA A 54 ARG HBy 1.0 1.666 3.066 784 222 A 54 ARG HA A 54 ARG HBx 1.0 1.666 3.066 785 222 A 105 LEU HBx A 105 LEU HA 1.0 1.666 3.066 786 222 A 105 LEU HBy A 105 LEU HA 1.0 1.666 3.066 787 223 A 105 LEU HG A 105 LEU HA 1.0 1.720 3.288 788 223 A 54 ARG HA A 54 ARG HGx 1.0 1.720 3.288 789 223 A 54 ARG HA A 54 ARG HGy 1.0 1.720 3.288 790 224 A 68 MET HA A 68 MET HBy 1.0 1.755 3.447 791 224 A 68 MET HA A 68 MET HBx 1.0 1.755 3.447 792 225 A 89 LEU HDy% A 88 ASN HA 1.0 1.702 3.208 793 225 A 88 ASN HA A 90 VAL HGx% 1.0 1.702 3.208 794 226 A 44 PRO HGx A 44 PRO HDx 1.0 1.727 3.317 795 226 A 80 PRO HGx A 80 PRO HDx 1.0 1.727 3.317 796 227 A 80 PRO HDy A 80 PRO HDx 1.0 1.575 2.735 797 227 A 44 PRO HDy A 44 PRO HDx 1.0 1.575 2.735 798 228 A 80 PRO HDx A 80 PRO HGy 1.0 1.687 3.151 799 228 A 44 PRO HGy A 44 PRO HDx 1.0 1.687 3.151 800 229 A 80 PRO HDy A 80 PRO HGy 1.0 1.663 3.051 801 229 A 44 PRO HDy A 44 PRO HGy 1.0 1.663 3.051 802 230 A 71 ALA HA A 53 ILE HG2% 1.0 1.740 3.378 803 230 A 71 ALA HA A 16 LEU HDx% 1.0 1.740 3.378 804 231 A 105 LEU HBx A 105 LEU HDx% 1.0 1.612 2.864 805 231 A 105 LEU HBy A 74 ILE HD1% 1.0 1.612 2.864 806 231 A 105 LEU HBy A 105 LEU HDx% 1.0 1.612 2.864 807 231 A 105 LEU HBx A 74 ILE HD1% 1.0 1.612 2.864 808 232 A 84 LYS HEx A 96 LYS HBy 1.0 1.769 3.511 809 232 A 84 LYS HEx A 96 LYS HBx 1.0 1.769 3.511 810 232 A 84 LYS HEx A 96 LYS HDx 1.0 1.769 3.511 811 232 A 84 LYS HEx A 96 LYS HDy 1.0 1.769 3.511 812 233 A 117 LEU HA A 117 LEU HBy 1.0 1.620 2.894 813 233 A 14 ALA HA A 17 LEU HBy 1.0 1.620 2.894 814 234 A 116 LYS HBy A 116 LYS HEy 1.0 1.304 1.978 815 234 A 116 LYS HDx A 116 LYS HEx 1.0 1.304 1.978 816 234 A 116 LYS HDy A 116 LYS HEx 1.0 1.304 1.978 817 234 A 116 LYS HDx A 116 LYS HEy 1.0 1.304 1.978 818 234 A 116 LYS HDy A 116 LYS HEy 1.0 1.304 1.978 819 235 A 96 LYS HEy A 96 LYS HDx 1.0 1.216 1.776 820 235 A 96 LYS HEx A 96 LYS HDy 1.0 1.216 1.776 821 235 A 109 LYS HDx A 109 LYS HEx 1.0 1.216 1.776 822 235 A 113 LYS HEx A 113 LYS HDy 1.0 1.216 1.776 823 235 A 109 LYS HDx A 109 LYS HEy 1.0 1.216 1.776 824 235 A 66 LYS HDy A 66 LYS HEx 1.0 1.216 1.776 825 235 A 96 LYS HEy A 96 LYS HDy 1.0 1.216 1.776 826 235 A 109 LYS HDy A 109 LYS HEx 1.0 1.216 1.776 827 235 A 39 LYS HEy A 39 LYS HDy 1.0 1.216 1.776 828 235 A 96 LYS HEx A 96 LYS HDx 1.0 1.216 1.776 829 235 A 109 LYS HDy A 109 LYS HEy 1.0 1.216 1.776 830 235 A 66 LYS HDx A 66 LYS HEx 1.0 1.216 1.776 831 235 A 66 LYS HDx A 66 LYS HEy 1.0 1.216 1.776 832 235 A 113 LYS HEx A 113 LYS HDx 1.0 1.216 1.776 833 235 A 113 LYS HEy A 113 LYS HDy 1.0 1.216 1.776 834 235 A 39 LYS HEx A 39 LYS HDx 1.0 1.216 1.776 835 235 A 39 LYS HEy A 39 LYS HDx 1.0 1.216 1.776 836 235 A 113 LYS HEy A 113 LYS HDx 1.0 1.216 1.776 837 235 A 66 LYS HDy A 66 LYS HEy 1.0 1.216 1.776 838 235 A 39 LYS HEx A 39 LYS HDy 1.0 1.216 1.776 839 236 A 113 LYS HEx A 82 ILE HD1% 1.0 1.567 2.709 840 236 A 113 LYS HEy A 82 ILE HD1% 1.0 1.567 2.709 841 236 A 109 LYS HEx A 72 VAL HGx% 1.0 1.567 2.709 842 236 A 109 LYS HEy A 72 VAL HGx% 1.0 1.567 2.709 843 237 A 78 LYS HDx A 78 LYS HEx 1.0 1.325 2.029 844 237 A 96 LYS HEy A 96 LYS HGy 1.0 1.325 2.029 845 237 A 39 LYS HGx A 39 LYS HEx 1.0 1.325 2.029 846 237 A 78 LYS HDy A 78 LYS HEx 1.0 1.325 2.029 847 237 A 66 LYS HGx A 66 LYS HEx 1.0 1.325 2.029 848 237 A 109 LYS HGy A 109 LYS HEx 1.0 1.325 2.029 849 237 A 66 LYS HGx A 66 LYS HEy 1.0 1.325 2.029 850 237 A 109 LYS HGx A 109 LYS HEy 1.0 1.325 2.029 851 237 A 66 LYS HGy A 66 LYS HEx 1.0 1.325 2.029 852 237 A 78 LYS HDy A 78 LYS HEy 1.0 1.325 2.029 853 237 A 109 LYS HGx A 109 LYS HEx 1.0 1.325 2.029 854 237 A 96 LYS HEx A 96 LYS HGx 1.0 1.325 2.029 855 237 A 96 LYS HEx A 96 LYS HGy 1.0 1.325 2.029 856 237 A 78 LYS HDx A 78 LYS HEy 1.0 1.325 2.029 857 237 A 39 LYS HGy A 39 LYS HEx 1.0 1.325 2.029 858 237 A 39 LYS HGx A 39 LYS HEy 1.0 1.325 2.029 859 237 A 96 LYS HEy A 96 LYS HGx 1.0 1.325 2.029 860 237 A 39 LYS HGy A 39 LYS HEy 1.0 1.325 2.029 861 237 A 109 LYS HGy A 109 LYS HEy 1.0 1.325 2.029 862 237 A 66 LYS HGy A 66 LYS HEy 1.0 1.325 2.029 863 238 A 6 LYS HBy A 6 LYS HEx 1.0 1.716 3.270 864 238 A 25 LYS HBx A 25 LYS HEx 1.0 1.716 3.270 865 238 A 6 LYS HBx A 6 LYS HEx 1.0 1.716 3.270 866 238 A 6 LYS HBx A 6 LYS HEy 1.0 1.716 3.270 867 238 A 25 LYS HBy A 25 LYS HEx 1.0 1.716 3.270 868 238 A 6 LYS HBy A 6 LYS HEy 1.0 1.716 3.270 869 238 A 25 LYS HBy A 25 LYS HEy 1.0 1.716 3.270 870 238 A 25 LYS HBx A 25 LYS HEy 1.0 1.716 3.270 871 239 A 119 LYS HDx A 119 LYS HEy 1.0 1.454 2.364 872 239 A 76 LYS HDy A 76 LYS HEx 1.0 1.454 2.364 873 239 A 119 LYS HDy A 119 LYS HEy 1.0 1.454 2.364 874 239 A 76 LYS HDx A 76 LYS HEx 1.0 1.454 2.364 875 239 A 119 LYS HDx A 119 LYS HEx 1.0 1.454 2.364 876 239 A 119 LYS HDy A 119 LYS HEx 1.0 1.454 2.364 877 239 A 76 LYS HDy A 76 LYS HEy 1.0 1.454 2.364 878 239 A 76 LYS HDx A 76 LYS HEy 1.0 1.454 2.364 879 240 A 25 LYS HGy A 25 LYS HEy 1.0 1.627 2.917 880 240 A 25 LYS HGy A 25 LYS HEx 1.0 1.627 2.917 881 240 A 6 LYS HEx A 6 LYS HGy 1.0 1.627 2.917 882 240 A 6 LYS HEy A 6 LYS HGy 1.0 1.627 2.917 883 241 A 76 LYS HGy A 76 LYS HEy 1.0 1.499 2.499 884 241 A 119 LYS HGx A 119 LYS HEx 1.0 1.499 2.499 885 241 A 76 LYS HGx A 76 LYS HEy 1.0 1.499 2.499 886 241 A 76 LYS HGy A 76 LYS HEx 1.0 1.499 2.499 887 241 A 119 LYS HGy A 119 LYS HEx 1.0 1.499 2.499 888 241 A 76 LYS HGx A 76 LYS HEx 1.0 1.499 2.499 889 241 A 119 LYS HGy A 119 LYS HEy 1.0 1.499 2.499 890 241 A 119 LYS HGx A 119 LYS HEy 1.0 1.499 2.499 891 242 A 82 ILE HB A 82 ILE HG2% 1.0 1.522 2.566 892 242 A 17 LEU HBx A 17 LEU HDy% 1.0 1.522 2.566 893 242 A 17 LEU HBx A 17 LEU HDx% 1.0 1.522 2.566 894 243 A 28 LEU HDy% A 28 LEU HBy 1.0 1.441 2.331 895 243 A 28 LEU HDx% A 28 LEU HBy 1.0 1.441 2.331 896 243 A 45 ILE HG12 A 43 LEU HBx 1.0 1.441 2.331 897 243 A 45 ILE HG12 A 43 LEU HBy 1.0 1.441 2.331 898 244 A 83 ILE HB A 83 ILE HG12 1.0 1.503 2.507 899 244 A 17 LEU HDy% A 17 LEU HBy 1.0 1.503 2.507 900 244 A 17 LEU HDx% A 17 LEU HBy 1.0 1.503 2.507 901 244 A 83 ILE HG13 A 83 ILE HB 1.0 1.503 2.507 902 245 A 83 ILE HA A 84 LYS HEx 1.0 1.732 3.338 903 245 A 79 ASN HA A 79 ASN HBx 1.0 1.732 3.338 904 246 A 73 ALA HB% A 79 ASN HBy 1.0 1.556 2.672 905 246 A 84 LYS HEy A 82 ILE HD1% 1.0 1.556 2.672 906 247 A 79 ASN HBx A 79 ASN HBy 1.0 1.480 2.442 907 247 A 84 LYS HEy A 84 LYS HEx 1.0 1.480 2.442 908 248 A 28 LEU HA A 28 LEU HBx 1.0 1.554 2.668 909 248 A 25 LYS HA A 28 LEU HBx 1.0 1.554 2.668 910 249 A 103 ASP HA A 103 ASP HBy 1.0 1.615 2.875 911 249 A 77 ASP HA A 77 ASP HBx 1.0 1.615 2.875 912 250 A 53 ILE HB A 53 ILE HD1% 1.0 1.463 2.389 913 250 A 83 ILE HB A 83 ILE HD1% 1.0 1.463 2.389 914 251 A 51 PHE HBx A 12 VAL HGy% 1.0 1.756 3.454 915 251 A 51 PHE HBx A 12 VAL HGx% 1.0 1.756 3.454 916 252 A 107 TYR HDy A 107 TYR HBx 1.0 1.682 3.128 917 252 A 107 TYR HDx A 107 TYR HBx 1.0 1.682 3.128 918 252 A 81 PHE HDy A 81 PHE HBx 1.0 1.682 3.128 919 252 A 81 PHE HDx A 81 PHE HBx 1.0 1.682 3.128 920 253 A 93 ILE HG2% A 81 PHE HBy 1.0 1.675 3.103 921 253 A 90 VAL HGx% A 86 ASN HBy 1.0 1.675 3.103 922 254 A 19 ASN HBx A 16 LEU HDx% 1.0 1.743 3.387 923 254 A 19 ASN HBx A 43 LEU HDy% 1.0 1.743 3.387 924 254 A 19 ASN HBx A 43 LEU HDx% 1.0 1.743 3.387 925 255 A 51 PHE HDx A 51 PHE HBy 1.0 1.754 3.436 926 255 A 118 PHE HDx A 118 PHE HBy 1.0 1.754 3.436 927 255 A 67 PHE HDy A 67 PHE HBy 1.0 1.754 3.436 928 255 A 118 PHE HDy A 118 PHE HBy 1.0 1.754 3.436 929 255 A 51 PHE HDy A 51 PHE HBy 1.0 1.754 3.436 930 255 A 67 PHE HDx A 67 PHE HBy 1.0 1.754 3.436 931 256 A 4 PHE HBx A 7 ALA HB% 1.0 1.802 3.684 932 256 A 7 ALA HB% A 4 PHE HBy 1.0 1.802 3.684 933 256 A 114 ASP HBx A 116 LYS HGy 1.0 1.802 3.684 934 256 A 114 ASP HBx A 116 LYS HGx 1.0 1.802 3.684 935 257 A 4 PHE HBx A 4 PHE HA 1.0 1.712 3.256 936 257 A 4 PHE HA A 4 PHE HBy 1.0 1.712 3.256 937 258 A 10 ASN HBx A 7 ALA HB% 1.0 1.771 3.523 938 258 A 10 ASN HBx A 11 ALA HB% 1.0 1.771 3.523 939 258 A 10 ASN HBx A 9 ILE HB 1.0 1.771 3.523 940 259 A 5 GLU HGy A 4 PHE HBx 1.0 1.786 3.596 941 259 A 5 GLU HGx A 4 PHE HBx 1.0 1.786 3.596 942 259 A 5 GLU HGx A 4 PHE HBy 1.0 1.786 3.596 943 259 A 5 GLU HGy A 4 PHE HBy 1.0 1.786 3.596 944 260 A 5 GLU HGx A 5 GLU HBx 1.0 1.675 3.099 945 260 A 5 GLU HGy A 5 GLU HBx 1.0 1.675 3.099 946 260 A 24 GLU HGy A 24 GLU HBy 1.0 1.675 3.099 947 261 A 41 PRO HBx A 39 LYS HEx 1.0 1.775 3.543 948 261 A 41 PRO HBy A 39 LYS HEx 1.0 1.775 3.543 949 261 A 76 LYS HBy A 109 LYS HEx 1.0 1.775 3.543 950 261 A 41 PRO HBx A 39 LYS HEy 1.0 1.775 3.543 951 261 A 41 PRO HBy A 39 LYS HEy 1.0 1.775 3.543 952 261 A 76 LYS HBy A 109 LYS HEy 1.0 1.775 3.543 953 262 A 89 LEU HA A 85 MET HGy 1.0 1.825 3.809 954 262 A 89 LEU HA A 85 MET HGx 1.0 1.825 3.809 955 262 A 85 MET HGx A 20 ALA HA 1.0 1.825 3.809 956 262 A 85 MET HGy A 20 ALA HA 1.0 1.825 3.809 957 263 A 80 PRO HBx A 80 PRO HDy 1.0 1.783 3.581 958 263 A 80 PRO HBy A 80 PRO HDy 1.0 1.783 3.581 959 263 A 44 PRO HBx A 44 PRO HDy 1.0 1.783 3.581 960 264 A 81 PHE HEx A 8 LYS HBx 1.0 1.801 3.673 961 264 A 8 LYS HBy A 4 PHE HDx 1.0 1.801 3.673 962 264 A 81 PHE HEx A 8 LYS HBy 1.0 1.801 3.673 963 264 A 81 PHE HEy A 8 LYS HBx 1.0 1.801 3.673 964 264 A 81 PHE HEy A 8 LYS HBy 1.0 1.801 3.673 965 264 A 8 LYS HBy A 4 PHE HDy 1.0 1.801 3.673 966 264 A 8 LYS HBx A 4 PHE HDx 1.0 1.801 3.673 967 264 A 8 LYS HBx A 4 PHE HDy 1.0 1.801 3.673 968 265 A 85 MET HGx A 17 LEU HDx% 1.0 1.802 3.680 969 265 A 85 MET HGy A 17 LEU HDy% 1.0 1.802 3.680 970 265 A 85 MET HGy A 17 LEU HDx% 1.0 1.802 3.680 971 265 A 85 MET HGy A 89 LEU HDx% 1.0 1.802 3.680 972 265 A 85 MET HGx A 17 LEU HDy% 1.0 1.802 3.680 973 265 A 85 MET HGx A 89 LEU HDx% 1.0 1.802 3.680 974 266 A 119 LYS HA A 119 LYS HDx 1.0 1.776 3.550 975 266 A 76 LYS HA A 76 LYS HDx 1.0 1.776 3.550 976 266 A 76 LYS HA A 76 LYS HDy 1.0 1.776 3.550 977 266 A 119 LYS HA A 119 LYS HDy 1.0 1.776 3.550 978 267 A 21 HIS HA A 21 HIS HBx 1.0 1.772 3.524 979 267 A 87 GLU HA A 87 GLU HBx 1.0 1.772 3.524 980 268 A 18 GLU HBx A 45 ILE HG13 1.0 1.821 3.785 981 268 A 18 GLU HBx A 15 ALA HB% 1.0 1.821 3.785 982 269 A 114 ASP HBy A 95 LYS HDx 1.0 1.800 3.668 983 269 A 114 ASP HBy A 95 LYS HDy 1.0 1.800 3.668 984 269 A 95 LYS HDy A 115 CYS HBy 1.0 1.800 3.668 985 269 A 114 ASP HBy A 116 LYS HDx 1.0 1.800 3.668 986 269 A 95 LYS HDx A 115 CYS HBy 1.0 1.800 3.668 987 269 A 114 ASP HBy A 116 LYS HDy 1.0 1.800 3.668 988 270 A 113 LYS HA A 113 LYS HDy 1.0 1.802 3.684 989 270 A 113 LYS HA A 113 LYS HDx 1.0 1.802 3.684 990 270 A 109 LYS HDx A 109 LYS HA 1.0 1.802 3.684 991 270 A 109 LYS HDy A 109 LYS HA 1.0 1.802 3.684 992 271 A 89 LEU HBy A 89 LEU HG 1.0 1.452 2.360 993 271 A 117 LEU HG A 117 LEU HBx 1.0 1.452 2.360 994 272 A 116 LYS HBy A 93 ILE HG12 1.0 1.496 2.488 995 272 A 17 LEU HG A 17 LEU HBx 1.0 1.496 2.488 996 273 A 28 LEU HG A 28 LEU HBy 1.0 1.701 3.207 997 273 A 43 LEU HG A 43 LEU HBx 1.0 1.701 3.207 998 273 A 43 LEU HG A 43 LEU HBy 1.0 1.701 3.207 999 274 A 70 LYS HA A 84 LYS HGx 1.0 1.796 3.650 1000 274 A 70 LYS HA A 84 LYS HGy 1.0 1.796 3.650 1001 274 A 53 ILE HA A 16 LEU HDy% 1.0 1.796 3.650 1002 275 A 46 LYS HA A 55 LEU HDy% 1.0 1.774 3.536 1003 275 A 55 LEU HDy% A 55 LEU HA 1.0 1.774 3.536 1004 275 A 54 ARG HA A 55 LEU HDy% 1.0 1.774 3.536 1005 276 A 46 LYS HBx A 55 LEU HDy% 1.0 1.817 3.759 1006 276 A 18 GLU HBy A 55 LEU HDy% 1.0 1.817 3.759 1007 277 A 117 LEU HDy% A 119 LYS HDx 1.0 1.561 2.689 1008 277 A 117 LEU HDy% A 117 LEU HBx 1.0 1.561 2.689 1009 277 A 119 LYS HDy A 117 LEU HDy% 1.0 1.561 2.689 1010 278 A 45 ILE HD1% A 43 LEU HDx% 1.0 1.564 2.698 1011 278 A 117 LEU HDy% A 117 LEU HDx% 1.0 1.564 2.698 1012 278 A 43 LEU HDx% A 55 LEU HDx% 1.0 1.564 2.698 1013 278 A 45 ILE HD1% A 43 LEU HDy% 1.0 1.564 2.698 1014 278 A 43 LEU HDy% A 55 LEU HDx% 1.0 1.564 2.698 1015 279 A 119 LYS HBx A 90 VAL HGy% 1.0 1.771 3.525 1016 279 A 119 LYS HDy A 90 VAL HGy% 1.0 1.771 3.525 1017 279 A 119 LYS HDx A 90 VAL HGy% 1.0 1.771 3.525 1018 280 A 91 THR HG2% A 13 ARG HBy 1.0 1.756 3.450 1019 280 A 91 THR HG2% A 13 ARG HBx 1.0 1.756 3.450 1020 280 A 91 THR HG2% A 85 MET HE% 1.0 1.756 3.450 1021 281 A 84 LYS HEy A 82 ILE HG2% 1.0 1.791 3.627 1022 281 A 89 LEU HBx A 90 VAL HGx% 1.0 1.791 3.627 1023 282 A 113 LYS HGy A 82 ILE HG2% 1.0 1.707 3.229 1024 282 A 82 ILE HG2% A 82 ILE HG13 1.0 1.707 3.229 1025 282 A 113 LYS HGx A 82 ILE HG2% 1.0 1.707 3.229 1026 282 A 82 ILE HG2% A 98 ALA HB% 1.0 1.707 3.229 1027 283 A 20 ALA HB% A 21 HIS HD2 1.0 1.819 3.771 1028 283 A 7 ALA HB% A 4 PHE HDx 1.0 1.819 3.771 1029 283 A 7 ALA HB% A 4 PHE HDy 1.0 1.819 3.771 1030 284 A 10 ASN HBy A 9 ILE HG2% 1.0 1.810 3.720 1031 284 A 118 PHE HBx A 9 ILE HG2% 1.0 1.810 3.720 1032 285 A 45 ILE HA A 53 ILE HD1% 1.0 1.786 3.594 1033 285 A 15 ALA HA A 53 ILE HD1% 1.0 1.786 3.594 1034 286 A 59 ALA HB% A 39 LYS HBx 1.0 1.794 3.638 1035 286 A 59 ALA HB% A 39 LYS HBy 1.0 1.794 3.638 1036 286 A 62 ALA HB% A 59 ALA HB% 1.0 1.794 3.638 1037 287 A 53 ILE HD1% A 47 GLU HBx 1.0 1.818 3.768 1038 287 A 49 GLU HBy A 53 ILE HD1% 1.0 1.818 3.768 1039 287 A 53 ILE HD1% A 47 GLU HBy 1.0 1.818 3.768 1040 288 A 93 ILE HD1% A 13 ARG HBx 1.0 1.827 3.819 1041 288 A 116 LYS HBx A 93 ILE HD1% 1.0 1.827 3.819 1042 288 A 93 ILE HD1% A 13 ARG HBy 1.0 1.827 3.819 1043 289 A 44 PRO HA A 44 PRO HGy 1.0 1.795 3.647 1044 289 A 44 PRO HA A 43 LEU HBx 1.0 1.795 3.647 1045 289 A 44 PRO HA A 43 LEU HBy 1.0 1.795 3.647 1046 290 A 83 ILE HD1% A 51 PHE HZ 1.0 1.805 3.697 1047 290 A 92 PHE HDx A 90 VAL HGy% 1.0 1.805 3.697 1048 290 A 92 PHE HDy A 90 VAL HGy% 1.0 1.805 3.697 1049 291 A 51 PHE HEx A 51 PHE HBy 1.0 1.826 3.816 1050 291 A 67 PHE HBy A 67 PHE HEx 1.0 1.826 3.816 1051 291 A 67 PHE HBy A 67 PHE HEy 1.0 1.826 3.816 1052 291 A 51 PHE HEy A 51 PHE HBy 1.0 1.826 3.816 1053 291 A 92 PHE HBy A 92 PHE HEx 1.0 1.826 3.816 1054 291 A 92 PHE HBy A 92 PHE HEy 1.0 1.826 3.816 1055 292 A 119 LYS HGy A 92 PHE HEx 1.0 1.808 3.712 1056 292 A 119 LYS HGy A 92 PHE HEy 1.0 1.808 3.712 1057 292 A 51 PHE HEy A 71 ALA HB% 1.0 1.808 3.712 1058 292 A 119 LYS HGx A 92 PHE HEy 1.0 1.808 3.712 1059 292 A 119 LYS HGx A 92 PHE HEx 1.0 1.808 3.712 1060 292 A 51 PHE HEx A 71 ALA HB% 1.0 1.808 3.712 1061 293 A 81 PHE HDy A 5 GLU HGx 1.0 1.785 3.597 1062 293 A 81 PHE HDy A 5 GLU HGy 1.0 1.785 3.597 1063 293 A 51 PHE HDx A 49 GLU HBx 1.0 1.785 3.597 1064 293 A 51 PHE HDx A 79 ASN HBx 1.0 1.785 3.597 1065 293 A 51 PHE HDy A 49 GLU HBx 1.0 1.785 3.597 1066 293 A 81 PHE HDx A 5 GLU HGy 1.0 1.785 3.597 1067 293 A 81 PHE HDx A 5 GLU HGx 1.0 1.785 3.597 1068 293 A 51 PHE HDy A 79 ASN HBx 1.0 1.785 3.597 1069 294 A 117 LEU HA A 92 PHE HEx 1.0 1.827 3.817 1070 294 A 117 LEU HA A 92 PHE HEy 1.0 1.827 3.817 1071 294 A 51 PHE HEy A 8 LYS HA 1.0 1.827 3.817 1072 294 A 51 PHE HEx A 8 LYS HA 1.0 1.827 3.817 1073 295 A 80 PRO HBy A 81 PHE HDy 1.0 1.843 3.915 1074 295 A 51 PHE HDy A 79 ASN HBy 1.0 1.843 3.915 1075 295 A 81 PHE HDx A 79 ASN HBy 1.0 1.843 3.915 1076 295 A 80 PRO HBx A 81 PHE HDy 1.0 1.843 3.915 1077 295 A 80 PRO HBy A 81 PHE HDx 1.0 1.843 3.915 1078 295 A 81 PHE HDy A 79 ASN HBy 1.0 1.843 3.915 1079 295 A 51 PHE HDx A 79 ASN HBy 1.0 1.843 3.915 1080 295 A 80 PRO HBx A 81 PHE HDx 1.0 1.843 3.915 1081 296 A 92 PHE HA A 92 PHE HEy 1.0 1.854 3.984 1082 296 A 92 PHE HA A 92 PHE HEx 1.0 1.854 3.984 1083 296 A 51 PHE HEy A 51 PHE HA 1.0 1.854 3.984 1084 296 A 51 PHE HEx A 51 PHE HA 1.0 1.854 3.984 1085 297 A 51 PHE HDx A 50 GLY HAy 1.0 1.838 3.882 1086 297 A 51 PHE HDy A 50 GLY HAy 1.0 1.838 3.882 1087 297 A 81 PHE HDy A 80 PRO HDx 1.0 1.838 3.882 1088 297 A 81 PHE HDx A 80 PRO HDx 1.0 1.838 3.882 1089 298 A 73 ALA HB% A 51 PHE HZ 1.0 1.852 3.970 1090 298 A 92 PHE HDy A 117 LEU HDx% 1.0 1.852 3.970 1091 298 A 92 PHE HDx A 117 LEU HDx% 1.0 1.852 3.970 1092 299 A 23 MET HA A 27 TYR HEx 1.0 1.856 3.998 1093 299 A 27 TYR HEx A 31 GLY HAy 1.0 1.856 3.998 1094 299 A 76 LYS HA A 4 PHE HEy 1.0 1.856 3.998 1095 299 A 76 LYS HA A 4 PHE HEx 1.0 1.856 3.998 1096 300 A 99 SER HA A 82 ILE HD1% 1.0 1.861 4.031 1097 300 A 99 SER HA A 72 VAL HGx% 1.0 1.861 4.031 1098 301 A 23 MET HGx A 87 GLU HA 1.0 1.838 3.882 1099 301 A 23 MET HGy A 87 GLU HA 1.0 1.838 3.882 1100 301 A 24 GLU HGx A 21 HIS HA 1.0 1.838 3.882 1101 301 A 87 GLU HA A 67 PHE HBx 1.0 1.838 3.882 1102 302 A 93 ILE HA A 93 ILE HG13 1.0 1.826 3.816 1103 302 A 93 ILE HA A 82 ILE HG12 1.0 1.826 3.816 1104 303 A 118 PHE HA A 93 ILE HD1% 1.0 1.788 3.608 1105 303 A 118 PHE HA A 90 VAL HGy% 1.0 1.788 3.608 1106 304 A 42 SER HA A 55 LEU HBy 1.0 1.786 3.596 1107 304 A 42 SER HA A 43 LEU HBx 1.0 1.786 3.596 1108 304 A 42 SER HA A 43 LEU HBy 1.0 1.786 3.596 1109 305 A 19 ASN HA A 55 LEU HDx% 1.0 1.747 3.407 1110 305 A 74 ILE HD1% A 101 CYS HA 1.0 1.747 3.407 1111 305 A 82 ILE HD1% A 97 SER HA 1.0 1.747 3.407 1112 306 A 28 LEU HG A 28 LEU HA 1.0 1.609 2.853 1113 306 A 28 LEU HA A 28 LEU HBx 1.0 1.609 2.853 1114 307 A 77 ASP HA A 77 ASP HBy 1.0 1.619 2.887 1115 307 A 114 ASP HBy A 114 ASP HA 1.0 1.619 2.887 1116 308 A 23 MET HA A 23 MET HBy 1.0 1.720 3.290 1117 308 A 23 MET HA A 23 MET HBx 1.0 1.720 3.290 1118 308 A 23 MET HBx A 20 ALA HA 1.0 1.720 3.290 1119 308 A 23 MET HBy A 20 ALA HA 1.0 1.720 3.290 1120 309 A 117 LEU HA A 93 ILE HD1% 1.0 1.819 3.773 1121 309 A 117 LEU HA A 90 VAL HGy% 1.0 1.819 3.773 1122 310 A 115 CYS HA A 115 CYS HBx 1.0 1.782 3.576 1123 310 A 115 CYS HA A 81 PHE HBx 1.0 1.782 3.576 1124 311 A 113 LYS HA A 112 ASP HA 1.0 1.813 3.745 1125 311 A 38 THR HA A 39 LYS HA 1.0 1.813 3.745 1126 311 A 18 GLU HA A 19 ASN HA 1.0 1.813 3.745 1127 312 A 84 LYS HA A 83 ILE HG2% 1.0 1.835 3.871 1128 312 A 84 LYS HA A 16 LEU HDx% 1.0 1.835 3.871 1129 313 A 20 ALA HB% A 21 HIS HD2 1.0 1.837 3.881 1130 313 A 17 LEU HG A 21 HIS HD2 1.0 1.837 3.881 1131 313 A 17 LEU HBy A 21 HIS HD2 1.0 1.837 3.881 1132 314 A 71 ALA HA A 54 ARG HGy 1.0 1.795 3.645 1133 314 A 71 ALA HA A 53 ILE HG12 1.0 1.795 3.645 1134 314 A 71 ALA HA A 53 ILE HG13 1.0 1.795 3.645 1135 314 A 71 ALA HA A 54 ARG HGx 1.0 1.795 3.645 1136 315 A 78 LYS HA A 78 LYS HEx 1.0 1.799 3.665 1137 315 A 78 LYS HA A 78 LYS HEy 1.0 1.799 3.665 1138 315 A 38 THR HA A 66 LYS HEx 1.0 1.799 3.665 1139 315 A 38 THR HA A 66 LYS HEy 1.0 1.799 3.665 1140 316 A 27 TYR HDx A 66 LYS HEx 1.0 1.782 3.580 1141 316 A 27 TYR HDy A 66 LYS HEy 1.0 1.782 3.580 1142 316 A 109 LYS HEx A 108 PHE HDx 1.0 1.782 3.580 1143 316 A 109 LYS HEy A 108 PHE HDx 1.0 1.782 3.580 1144 316 A 27 TYR HDx A 66 LYS HEy 1.0 1.782 3.580 1145 316 A 81 PHE HEx A 116 LYS HEx 1.0 1.782 3.580 1146 316 A 27 TYR HDy A 66 LYS HEx 1.0 1.782 3.580 1147 316 A 109 LYS HEx A 108 PHE HDy 1.0 1.782 3.580 1148 316 A 109 LYS HEy A 108 PHE HDy 1.0 1.782 3.580 1149 316 A 81 PHE HEy A 81 PHE HBy 1.0 1.782 3.580 1150 316 A 81 PHE HEy A 116 LYS HEx 1.0 1.782 3.580 1151 316 A 81 PHE HEx A 81 PHE HBy 1.0 1.782 3.580 1152 317 A 53 ILE HG2% A 53 ILE HB 1.0 1.745 3.397 1153 317 A 83 ILE HB A 83 ILE HG2% 1.0 1.745 3.397 1154 318 A 87 GLU HGx A 66 LYS HEx 1.0 1.502 2.504 1155 318 A 87 GLU HGx A 66 LYS HEy 1.0 1.502 2.504 1156 318 A 77 ASP HBy A 78 LYS HEx 1.0 1.502 2.504 1157 318 A 77 ASP HBy A 78 LYS HEy 1.0 1.502 2.504 1158 319 A 118 PHE HDy A 118 PHE HBx 1.0 1.717 3.273 1159 319 A 118 PHE HDx A 118 PHE HBx 1.0 1.717 3.273 1160 319 A 67 PHE HBx A 67 PHE HDy 1.0 1.717 3.273 1161 319 A 67 PHE HBx A 67 PHE HDx 1.0 1.717 3.273 1162 320 A 118 PHE HDy A 118 PHE HBy 1.0 1.753 3.439 1163 320 A 118 PHE HDx A 118 PHE HBy 1.0 1.753 3.439 1164 320 A 67 PHE HDy A 67 PHE HBy 1.0 1.753 3.439 1165 320 A 67 PHE HDx A 67 PHE HBy 1.0 1.753 3.439 1166 321 A 106 ASP HA A 106 ASP HBy 1.0 1.842 3.908 1167 321 A 67 PHE HA A 67 PHE HBx 1.0 1.842 3.908 1168 322 A 118 PHE HA A 118 PHE HBy 1.0 1.842 3.906 1169 322 A 67 PHE HA A 67 PHE HBy 1.0 1.842 3.906 1170 323 A 9 ILE HG13 A 81 PHE HBy 1.0 1.799 3.661 1171 323 A 90 VAL HGy% A 86 ASN HBy 1.0 1.799 3.661 1172 323 A 9 ILE HG12 A 81 PHE HBy 1.0 1.799 3.661 1173 323 A 93 ILE HD1% A 81 PHE HBy 1.0 1.799 3.661 1174 324 A 80 PRO HBx A 81 PHE HBx 1.0 1.830 3.836 1175 324 A 80 PRO HBy A 81 PHE HBx 1.0 1.830 3.836 1176 324 A 80 PRO HBx A 113 LYS HEy 1.0 1.830 3.836 1177 324 A 80 PRO HBx A 113 LYS HEx 1.0 1.830 3.836 1178 324 A 80 PRO HBy A 113 LYS HEx 1.0 1.830 3.836 1179 324 A 80 PRO HBy A 113 LYS HEy 1.0 1.830 3.836 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 SER C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -82.0 -42.0 PHI 2 2 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 PHE N 1.0 -62.0 -22.0 PSI 3 3 A 3 GLU C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -87.0 -47.0 PHI 4 4 A 4 PHE N A 4 PHE CA A 4 PHE C A 5 GLU N 1.0 -61.0 -21.0 PSI 5 5 A 4 PHE C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -104.0 -30.0 PHI 6 6 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 LYS N 1.0 -58.0 -16.0 PSI 7 7 A 5 GLU C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -82.0 -42.0 PHI 8 8 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 ALA N 1.0 -63.0 -23.0 PSI 9 9 A 6 LYS C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -81.0 -41.0 PHI 10 10 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 LYS N 1.0 -59.0 -19.0 PSI 11 11 A 7 ALA C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -86.0 -46.0 PHI 12 12 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 ILE N 1.0 -62.0 -22.0 PSI 13 13 A 8 LYS C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -83.0 -43.0 PHI 14 14 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 ASN N 1.0 -63.0 -23.0 PSI 15 15 A 9 ILE C A 10 ASN N A 10 ASN CA A 10 ASN C 1.0 -81.0 -41.0 PHI 16 16 A 10 ASN N A 10 ASN CA A 10 ASN C A 11 ALA N 1.0 -64.0 -24.0 PSI 17 17 A 10 ASN C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -84.0 -44.0 PHI 18 18 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 VAL N 1.0 -62.0 -22.0 PSI 19 19 A 11 ALA C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -85.0 -45.0 PHI 20 20 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 ARG N 1.0 -63.0 -23.0 PSI 21 21 A 12 VAL C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -82.0 -42.0 PHI 22 22 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 ALA N 1.0 -65.0 -25.0 PSI 23 23 A 13 ARG C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -79.0 -39.0 PHI 24 24 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 ALA N 1.0 -65.0 -25.0 PSI 25 25 A 14 ALA C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -85.0 -45.0 PHI 26 26 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 LEU N 1.0 -63.0 -23.0 PSI 27 27 A 15 ALA C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -83.0 -43.0 PHI 28 28 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 LEU N 1.0 -62.0 -22.0 PSI 29 29 A 16 LEU C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -81.0 -41.0 PHI 30 30 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 GLU N 1.0 -61.0 -21.0 PSI 31 31 A 17 LEU C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -86.0 -46.0 PHI 32 32 A 18 GLU N A 18 GLU CA A 18 GLU C A 19 ASN N 1.0 -61.0 -21.0 PSI 33 33 A 18 GLU C A 19 ASN N A 19 ASN CA A 19 ASN C 1.0 -84.0 -44.0 PHI 34 34 A 19 ASN N A 19 ASN CA A 19 ASN C A 20 ALA N 1.0 -60.0 -20.0 PSI 35 35 A 19 ASN C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -85.0 -45.0 PHI 36 36 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 HIS N 1.0 -61.0 -19.0 PSI 37 37 A 20 ALA C A 21 HIS N A 21 HIS CA A 21 HIS C 1.0 -87.0 -47.0 PHI 38 38 A 21 HIS N A 21 HIS CA A 21 HIS C A 22 PHE N 1.0 -58.0 -18.0 PSI 39 39 A 21 HIS C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -82.0 -42.0 PHI 40 40 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 MET N 1.0 -63.0 -23.0 PSI 41 41 A 22 PHE C A 23 MET N A 23 MET CA A 23 MET C 1.0 -82.0 -42.0 PHI 42 42 A 23 MET N A 23 MET CA A 23 MET C A 24 GLU N 1.0 -58.0 -18.0 PSI 43 43 A 23 MET C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -82.0 -42.0 PHI 44 44 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 LYS N 1.0 -59.0 -19.0 PSI 45 45 A 24 GLU C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -87.0 -47.0 PHI 46 46 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 PHE N 1.0 -56.0 -16.0 PSI 47 47 A 25 LYS C A 26 PHE N A 26 PHE CA A 26 PHE C 1.0 -83.0 -43.0 PHI 48 48 A 26 PHE N A 26 PHE CA A 26 PHE C A 27 TYR N 1.0 -66.0 -26.0 PSI 49 49 A 26 PHE C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -86.0 -46.0 PHI 50 50 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 LEU N 1.0 -63.0 -23.0 PSI 51 51 A 27 TYR C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -82.0 -42.0 PHI 52 52 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 GLN N 1.0 -60.0 -20.0 PSI 53 53 A 28 LEU C A 29 GLN N A 29 GLN CA A 29 GLN C 1.0 -100.0 -60.0 PHI 54 54 A 29 GLN N A 29 GLN CA A 29 GLN C A 30 ASN N 1.0 -53.0 -9.0 PSI 55 55 A 29 GLN C A 30 ASN N A 30 ASN CA A 30 ASN C 1.0 -139.0 -73.0 PHI 56 56 A 30 ASN N A 30 ASN CA A 30 ASN C A 31 GLY N 1.0 -29.0 11.0 PSI 57 57 A 31 GLY C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -118.0 -42.0 PHI 58 58 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 PHE N 1.0 104.0 164.0 PSI 59 59 A 37 SER C A 38 THR N A 38 THR CA A 38 THR C 1.0 -164.0 -54.0 PHI 60 60 A 38 THR N A 38 THR CA A 38 THR C A 39 LYS N 1.0 110.0 172.0 PSI 61 61 A 38 THR C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -172.0 -84.0 PHI 62 62 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 TRP N 1.0 117.0 163.0 PSI 63 63 A 39 LYS C A 40 TRP N A 40 TRP CA A 40 TRP C 1.0 -161.0 -33.0 PHI 64 64 A 40 TRP N A 40 TRP CA A 40 TRP C A 41 PRO N 1.0 89.0 153.0 PSI 65 65 A 40 TRP C A 41 PRO N A 41 PRO CA A 41 PRO C 1.0 -87.0 -47.0 PHI 66 66 A 41 PRO N A 41 PRO CA A 41 PRO C A 42 SER N 1.0 133.0 175.0 PSI 67 67 A 42 SER C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -121.0 -49.0 PHI 68 68 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 PRO N 1.0 102.0 146.0 PSI 69 69 A 45 ILE C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -112.0 -72.0 PHI 70 70 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 GLU N 1.0 -61.0 19.0 PSI 71 71 A 46 LYS C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -199.0 -63.0 PHI 72 72 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 ALA N 1.0 137.0 177.0 PSI 73 73 A 47 GLU C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -186.0 -74.0 PHI 74 74 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 GLU N 1.0 119.0 193.0 PSI 75 75 A 49 GLU C A 50 GLY N A 50 GLY CA A 50 GLY C 1.0 66.0 106.0 PHI 76 76 A 50 GLY N A 50 GLY CA A 50 GLY C A 51 PHE N 1.0 -19.0 21.0 PSI 77 77 A 50 GLY C A 51 PHE N A 51 PHE CA A 51 PHE C 1.0 -149.0 -57.0 PHI 78 78 A 51 PHE N A 51 PHE CA A 51 PHE C A 52 CYS N 1.0 86.0 184.0 PSI 79 79 A 51 PHE C A 52 CYS N A 52 CYS CA A 52 CYS C 1.0 -160.0 -120.0 PHI 80 80 A 52 CYS N A 52 CYS CA A 52 CYS C A 53 ILE N 1.0 144.0 184.0 PSI 81 81 A 52 CYS C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -158.0 -92.0 PHI 82 82 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 ARG N 1.0 115.0 159.0 PSI 83 83 A 53 ILE C A 54 ARG N A 54 ARG CA A 54 ARG C 1.0 -156.0 -116.0 PHI 84 84 A 54 ARG N A 54 ARG CA A 54 ARG C A 55 LEU N 1.0 134.0 180.0 PSI 85 85 A 54 ARG C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -126.0 -42.0 PHI 86 86 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 ASN N 1.0 107.0 175.0 PSI 87 87 A 55 LEU C A 56 ASN N A 56 ASN CA A 56 ASN C 1.0 -188.0 -46.0 PHI 88 88 A 56 ASN N A 56 ASN CA A 56 ASN C A 57 GLY N 1.0 96.0 216.0 PSI 89 89 A 61 GLY C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -162.0 -42.0 PHI 90 90 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 LEU N 1.0 114.0 180.0 PSI 91 91 A 65 SER C A 66 LYS N A 66 LYS CA A 66 LYS C 1.0 -186.0 -96.0 PHI 92 92 A 66 LYS N A 66 LYS CA A 66 LYS C A 67 PHE N 1.0 136.0 190.0 PSI 93 93 A 66 LYS C A 67 PHE N A 67 PHE CA A 67 PHE C 1.0 -189.0 -111.0 PHI 94 94 A 67 PHE N A 67 PHE CA A 67 PHE C A 68 MET N 1.0 109.0 193.0 PSI 95 95 A 67 PHE C A 68 MET N A 68 MET CA A 68 MET C 1.0 -153.0 -69.0 PHI 96 96 A 68 MET N A 68 MET CA A 68 MET C A 69 LEU N 1.0 108.0 148.0 PSI 97 97 A 68 MET C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -143.0 -89.0 PHI 98 98 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 LYS N 1.0 110.0 170.0 PSI 99 99 A 69 LEU C A 70 LYS N A 70 LYS CA A 70 LYS C 1.0 -152.0 -112.0 PHI 100 100 A 70 LYS N A 70 LYS CA A 70 LYS C A 71 ALA N 1.0 115.0 161.0 PSI 101 101 A 70 LYS C A 71 ALA N A 71 ALA CA A 71 ALA C 1.0 -144.0 -98.0 PHI 102 102 A 71 ALA N A 71 ALA CA A 71 ALA C A 72 VAL N 1.0 103.0 149.0 PSI 103 103 A 71 ALA C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -169.0 -83.0 PHI 104 104 A 72 VAL N A 72 VAL CA A 72 VAL C A 73 ALA N 1.0 110.0 156.0 PSI 105 105 A 72 VAL C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -92.0 -50.0 PHI 106 106 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 ILE N 1.0 122.0 162.0 PSI 107 107 A 73 ALA C A 74 ILE N A 74 ILE CA A 74 ILE C 1.0 -93.0 -29.0 PHI 108 108 A 74 ILE N A 74 ILE CA A 74 ILE C A 75 ASP N 1.0 -55.0 -15.0 PSI 109 109 A 75 ASP C A 76 LYS N A 76 LYS CA A 76 LYS C 1.0 -81.0 -41.0 PHI 110 110 A 76 LYS N A 76 LYS CA A 76 LYS C A 77 ASP N 1.0 -53.0 -3.0 PSI 111 111 A 76 LYS C A 77 ASP N A 77 ASP CA A 77 ASP C 1.0 -88.0 -48.0 PHI 112 112 A 77 ASP N A 77 ASP CA A 77 ASP C A 78 LYS N 1.0 -51.0 -11.0 PSI 113 113 A 77 ASP C A 78 LYS N A 78 LYS CA A 78 LYS C 1.0 -128.0 -56.0 PHI 114 114 A 78 LYS N A 78 LYS CA A 78 LYS C A 79 ASN N 1.0 -60.0 14.0 PSI 115 115 A 78 LYS C A 79 ASN N A 79 ASN CA A 79 ASN C 1.0 -188.0 -68.0 PHI 116 116 A 79 ASN N A 79 ASN CA A 79 ASN C A 80 PRO N 1.0 7.0 181.0 PSI 117 117 A 80 PRO C A 81 PHE N A 81 PHE CA A 81 PHE C 1.0 -163.0 -35.0 PHI 118 118 A 81 PHE N A 81 PHE CA A 81 PHE C A 82 ILE N 1.0 135.0 181.0 PSI 119 119 A 81 PHE C A 82 ILE N A 82 ILE CA A 82 ILE C 1.0 -150.0 -100.0 PHI 120 120 A 82 ILE N A 82 ILE CA A 82 ILE C A 83 ILE N 1.0 116.0 180.0 PSI 121 121 A 82 ILE C A 83 ILE N A 83 ILE CA A 83 ILE C 1.0 -150.0 -104.0 PHI 122 122 A 83 ILE N A 83 ILE CA A 83 ILE C A 84 LYS N 1.0 103.0 171.0 PSI 123 123 A 83 ILE C A 84 LYS N A 84 LYS CA A 84 LYS C 1.0 -156.0 -116.0 PHI 124 124 A 84 LYS N A 84 LYS CA A 84 LYS C A 85 MET N 1.0 117.0 175.0 PSI 125 125 A 84 LYS C A 85 MET N A 85 MET CA A 85 MET C 1.0 -161.0 -113.0 PHI 126 126 A 85 MET N A 85 MET CA A 85 MET C A 86 ASN N 1.0 112.0 152.0 PSI 127 127 A 85 MET C A 86 ASN N A 86 ASN CA A 86 ASN C 1.0 -193.0 -41.0 PHI 128 128 A 86 ASN N A 86 ASN CA A 86 ASN C A 87 GLU N 1.0 150.0 206.0 PSI 129 129 A 86 ASN C A 87 GLU N A 87 GLU CA A 87 GLU C 1.0 -82.0 -42.0 PHI 130 130 A 87 GLU N A 87 GLU CA A 87 GLU C A 88 ASN N 1.0 -46.0 16.0 PSI 131 131 A 87 GLU C A 88 ASN N A 88 ASN CA A 88 ASN C 1.0 -110.0 -70.0 PHI 132 132 A 88 ASN N A 88 ASN CA A 88 ASN C A 89 LEU N 1.0 -10.0 30.0 PSI 133 133 A 89 LEU C A 90 VAL N A 90 VAL CA A 90 VAL C 1.0 -110.0 -68.0 PHI 134 134 A 90 VAL N A 90 VAL CA A 90 VAL C A 91 THR N 1.0 114.0 164.0 PSI 135 135 A 90 VAL C A 91 THR N A 91 THR CA A 91 THR C 1.0 -120.0 -78.0 PHI 136 136 A 91 THR N A 91 THR CA A 91 THR C A 92 PHE N 1.0 106.0 148.0 PSI 137 137 A 91 THR C A 92 PHE N A 92 PHE CA A 92 PHE C 1.0 -156.0 -82.0 PHI 138 138 A 92 PHE N A 92 PHE CA A 92 PHE C A 93 ILE N 1.0 114.0 174.0 PSI 139 139 A 92 PHE C A 93 ILE N A 93 ILE CA A 93 ILE C 1.0 -148.0 -102.0 PHI 140 140 A 93 ILE N A 93 ILE CA A 93 ILE C A 94 CYS N 1.0 109.0 149.0 PSI 141 141 A 93 ILE C A 94 CYS N A 94 CYS CA A 94 CYS C 1.0 -165.0 -103.0 PHI 142 142 A 94 CYS N A 94 CYS CA A 94 CYS C A 95 LYS N 1.0 121.0 185.0 PSI 143 143 A 94 CYS C A 95 LYS N A 95 LYS CA A 95 LYS C 1.0 -108.0 -68.0 PHI 144 144 A 95 LYS N A 95 LYS CA A 95 LYS C A 96 LYS N 1.0 -38.0 2.0 PSI 145 145 A 95 LYS C A 96 LYS N A 96 LYS CA A 96 LYS C 1.0 -193.0 -71.0 PHI 146 146 A 96 LYS N A 96 LYS CA A 96 LYS C A 97 SER N 1.0 126.0 172.0 PSI 147 147 A 96 LYS C A 97 SER N A 97 SER CA A 97 SER C 1.0 -167.0 -51.0 PHI 148 148 A 97 SER N A 97 SER CA A 97 SER C A 98 ALA N 1.0 111.0 169.0 PSI 149 149 A 97 SER C A 98 ALA N A 98 ALA CA A 98 ALA C 1.0 -135.0 -51.0 PHI 150 150 A 98 ALA N A 98 ALA CA A 98 ALA C A 99 SER N 1.0 -71.0 37.0 PSI 151 151 A 99 SER C A 100 SER N A 100 SER CA A 100 SER C 1.0 -172.0 -80.0 PHI 152 152 A 100 SER N A 100 SER CA A 100 SER C A 101 CYS N 1.0 115.0 155.0 PSI 153 153 A 100 SER C A 101 CYS N A 101 CYS CA A 101 CYS C 1.0 -163.0 -105.0 PHI 154 154 A 101 CYS N A 101 CYS CA A 101 CYS C A 102 SER N 1.0 117.0 183.0 PSI 155 155 A 102 SER C A 103 ASP N A 103 ASP CA A 103 ASP C 1.0 -123.0 -71.0 PHI 156 156 A 103 ASP N A 103 ASP CA A 103 ASP C A 104 GLY N 1.0 -45.0 45.0 PSI 157 157 A 105 LEU C A 106 ASP N A 106 ASP CA A 106 ASP C 1.0 -125.0 -71.0 PHI 158 158 A 106 ASP N A 106 ASP CA A 106 ASP C A 107 TYR N 1.0 -48.0 22.0 PSI 159 159 A 106 ASP C A 107 TYR N A 107 TYR CA A 107 TYR C 1.0 -158.0 -90.0 PHI 160 160 A 107 TYR N A 107 TYR CA A 107 TYR C A 108 PHE N 1.0 115.0 177.0 PSI 161 161 A 107 TYR C A 108 PHE N A 108 PHE CA A 108 PHE C 1.0 -168.0 -90.0 PHI 162 162 A 108 PHE N A 108 PHE CA A 108 PHE C A 109 LYS N 1.0 128.0 180.0 PSI 163 163 A 108 PHE C A 109 LYS N A 109 LYS CA A 109 LYS C 1.0 -175.0 -39.0 PHI 164 164 A 109 LYS N A 109 LYS CA A 109 LYS C A 110 GLY N 1.0 120.0 172.0 PSI 165 165 A 112 ASP C A 113 LYS N A 113 LYS CA A 113 LYS C 1.0 -174.0 -66.0 PHI 166 166 A 113 LYS N A 113 LYS CA A 113 LYS C A 114 ASP N 1.0 119.0 185.0 PSI 167 167 A 113 LYS C A 114 ASP N A 114 ASP CA A 114 ASP C 1.0 -144.0 -34.0 PHI 168 168 A 114 ASP N A 114 ASP CA A 114 ASP C A 115 CYS N 1.0 90.0 186.0 PSI 169 169 A 114 ASP C A 115 CYS N A 115 CYS CA A 115 CYS C 1.0 -171.0 -97.0 PHI 170 170 A 115 CYS N A 115 CYS CA A 115 CYS C A 116 LYS N 1.0 137.0 177.0 PSI 171 171 A 115 CYS C A 116 LYS N A 116 LYS CA A 116 LYS C 1.0 -165.0 -105.0 PHI 172 172 A 116 LYS N A 116 LYS CA A 116 LYS C A 117 LEU N 1.0 114.0 176.0 PSI 173 173 A 116 LYS C A 117 LEU N A 117 LEU CA A 117 LEU C 1.0 -143.0 -39.0 PHI 174 174 A 117 LEU N A 117 LEU CA A 117 LEU C A 118 PHE N 1.0 96.0 146.0 PSI 175 175 A 117 LEU C A 118 PHE N A 118 PHE CA A 118 PHE C 1.0 -146.0 -54.0 PHI 176 176 A 118 PHE N A 118 PHE CA A 118 PHE C A 119 LYS N 1.0 95.0 143.0 PSI stop_ save_