data_nef_c25943_2naq save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2NAQ stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ALA middle . . 3 A 3 SER middle . . 4 A 4 THR middle . . 5 A 5 ARG middle . . 6 A 6 CYS middle . . 7 A 7 LYS middle . . 8 A 8 LEU middle . . 9 A 9 ALA middle . . 10 A 10 ARG middle . . 11 A 11 TYR middle . . 12 A 12 LEU middle . . 13 A 13 GLU middle . . 14 A 14 ASP middle . . 15 A 15 LEU middle . . 16 A 16 GLU middle . . 17 A 17 ASP middle . . 18 A 18 VAL middle . . 19 A 19 ASP middle . . 20 A 20 LEU middle . . 21 A 21 LYS middle . . 22 A 22 LYS middle . . 23 A 23 PHE middle . . 24 A 24 LYS middle . . 25 A 25 MET middle . . 26 A 26 HIS middle . . 27 A 27 LEU middle . . 28 A 28 GLU middle . . 29 A 29 ASP middle . . 30 A 30 TYR middle . . 31 A 31 PRO middle . false 32 A 32 PRO middle . false 33 A 33 GLN middle . . 34 A 34 LYS middle . . 35 A 35 GLY middle . false 36 A 36 CYS middle . . 37 A 37 ILE middle . . 38 A 38 PRO middle . false 39 A 39 LEU middle . . 40 A 40 PRO middle . false 41 A 41 ARG middle . . 42 A 42 GLY middle . false 43 A 43 GLN middle . . 44 A 44 THR middle . . 45 A 45 GLU middle . . 46 A 46 LYS middle . . 47 A 47 ALA middle . . 48 A 48 ASP middle . . 49 A 49 HIS middle . . 50 A 50 VAL middle . . 51 A 51 ASP middle . . 52 A 52 LEU middle . . 53 A 53 ALA middle . . 54 A 54 THR middle . . 55 A 55 LEU middle . . 56 A 56 MET middle . . 57 A 57 ILE middle . . 58 A 58 ASP middle . . 59 A 59 PHE middle . . 60 A 60 ASN middle . . 61 A 61 GLY middle . false 62 A 62 GLU middle . . 63 A 63 GLU middle . . 64 A 64 LYS middle . . 65 A 65 ALA middle . . 66 A 66 TRP middle . . 67 A 67 ALA middle . . 68 A 68 MET middle . . 69 A 69 ALA middle . . 70 A 70 VAL middle . . 71 A 71 TRP middle . . 72 A 72 ILE middle . . 73 A 73 PHE middle . . 74 A 74 ALA middle . . 75 A 75 ALA middle . . 76 A 76 ILE middle . . 77 A 77 ASN middle . . 78 A 78 ARG middle . . 79 A 79 ARG middle . . 80 A 80 ASP middle . . 81 A 81 LEU middle . . 82 A 82 TYR middle . . 83 A 83 GLU middle . . 84 A 84 LYS middle . . 85 A 85 ALA middle . . 86 A 86 LYS middle . . 87 A 87 ARG middle . . 88 A 88 ASP middle . . 89 A 89 GLU middle . . 90 A 90 PRO middle . false 91 A 91 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 ALA HA H 1 4.1560 . A 2 ALA HB% H 1 1.5270 . A 2 ALA CA C 13 51.7030 . A 2 ALA CB C 13 19.6410 . A 3 SER H H 1 8.7570 . A 3 SER HA H 1 4.6960 . A 3 SER HBy H 1 4.1150 . A 3 SER HBx H 1 3.9070 . A 3 SER CA C 13 57.7560 . A 3 SER CB C 13 64.3250 . A 3 SER N N 15 115.8500 . A 4 THR H H 1 8.8540 . A 4 THR HA H 1 4.2130 . A 4 THR HB H 1 4.3300 . A 4 THR HG2% H 1 1.2650 . A 4 THR CA C 13 64.7140 . A 4 THR CB C 13 68.8640 . A 4 THR CG2 C 13 22.3490 . A 4 THR N N 15 118.5900 . A 5 ARG H H 1 8.5350 . A 5 ARG HA H 1 3.9690 . A 5 ARG HBx H 1 1.8270 . A 5 ARG HBy H 1 1.8270 . A 5 ARG HDy H 1 3.7520 . A 5 ARG HDx H 1 3.5710 . A 5 ARG HGx H 1 1.9750 . A 5 ARG HGy H 1 1.9750 . A 5 ARG CA C 13 59.2590 . A 5 ARG CB C 13 30.2710 . A 5 ARG N N 15 122.2400 . A 6 CYS H H 1 8.1740 . A 6 CYS HA H 1 4.2470 . A 6 CYS HBx H 1 2.9870 . A 6 CYS HBy H 1 2.9870 . A 6 CYS CA C 13 61.2240 . A 6 CYS CB C 13 27.2030 . A 6 CYS N N 15 118.4000 . A 7 LYS H H 1 8.3953 . A 7 LYS HA H 1 4.0680 . A 7 LYS HBx H 1 2.0350 . A 7 LYS HBy H 1 2.0350 . A 7 LYS HDx H 1 1.6390 . A 7 LYS HDy H 1 1.6390 . A 7 LYS HEx H 1 2.8220 . A 7 LYS HEy H 1 2.8220 . A 7 LYS HGy H 1 1.6200 . A 7 LYS HGx H 1 1.4720 . A 7 LYS CA C 13 59.6840 . A 7 LYS CB C 13 32.8370 . A 7 LYS CD C 13 29.3020 . A 7 LYS CE C 13 42.0270 . A 7 LYS CG C 13 25.5890 . A 7 LYS N N 15 123.0837 . A 8 LEU H H 1 8.5460 . A 8 LEU HA H 1 3.9740 . A 8 LEU HBy H 1 1.7210 . A 8 LEU HBx H 1 1.3410 . A 8 LEU HDx% H 1 0.2740 . A 8 LEU HDy% H 1 0.6800 . A 8 LEU HG H 1 1.3030 . A 8 LEU CA C 13 58.2380 . A 8 LEU CB C 13 41.4540 . A 8 LEU CDx C 13 21.5620 . A 8 LEU CDy C 13 25.5380 . A 8 LEU CG C 13 27.1960 . A 8 LEU N N 15 120.1100 . A 9 ALA H H 1 8.0760 . A 9 ALA HA H 1 3.8760 . A 9 ALA HB% H 1 1.4560 . A 9 ALA CA C 13 55.6360 . A 9 ALA CB C 13 18.5750 . A 9 ALA N N 15 118.9100 . A 10 ARG H H 1 7.5560 . A 10 ARG HA H 1 3.9520 . A 10 ARG HBx H 1 1.8120 . A 10 ARG HBy H 1 1.8120 . A 10 ARG HDx H 1 3.0770 . A 10 ARG HDy H 1 3.0770 . A 10 ARG HGx H 1 1.5070 . A 10 ARG HGy H 1 1.5070 . A 10 ARG CA C 13 58.7100 . A 10 ARG CB C 13 29.7240 . A 10 ARG CD C 13 43.1740 . A 10 ARG CG C 13 27.1380 . A 10 ARG N N 15 116.7600 . A 11 TYR H H 1 7.5100 . A 11 TYR HA H 1 4.3470 . A 11 TYR HBx H 1 3.0310 . A 11 TYR HBy H 1 3.0310 . A 11 TYR HDx H 1 7.0430 . A 11 TYR HDy H 1 7.0430 . A 11 TYR HEx H 1 6.7590 . A 11 TYR HEy H 1 6.7590 . A 11 TYR CA C 13 61.6980 . A 11 TYR CB C 13 38.3080 . A 11 TYR CDx C 13 133.2180 . A 11 TYR CDy C 13 133.2180 . A 11 TYR CEx C 13 118.1520 . A 11 TYR CEy C 13 118.1520 . A 11 TYR N N 15 117.1020 . A 12 LEU H H 1 7.8930 . A 12 LEU HA H 1 3.8970 . A 12 LEU HBy H 1 1.9630 . A 12 LEU HBx H 1 1.1400 . A 12 LEU HDx% H 1 0.7170 . A 12 LEU HDy% H 1 0.1460 . A 12 LEU HG H 1 1.7260 . A 12 LEU CA C 13 57.5760 . A 12 LEU CB C 13 40.9460 . A 12 LEU CDy C 13 25.7590 . A 12 LEU CDx C 13 22.8600 . A 12 LEU CG C 13 27.0220 . A 12 LEU N N 15 116.7910 . A 13 GLU H H 1 7.9750 . A 13 GLU HA H 1 3.2480 . A 13 GLU HBx H 1 1.9150 . A 13 GLU HBy H 1 1.9150 . A 13 GLU HGy H 1 2.1350 . A 13 GLU HGx H 1 2.1000 . A 13 GLU CA C 13 57.6660 . A 13 GLU CB C 13 28.2530 . A 13 GLU CG C 13 34.1430 . A 13 GLU N N 15 117.8660 . A 14 ASP H H 1 7.2930 . A 14 ASP HA H 1 4.6370 . A 14 ASP HBx H 1 3.0220 . A 14 ASP HBy H 1 3.0220 . A 14 ASP CA C 13 54.1350 . A 14 ASP CB C 13 38.6540 . A 14 ASP N N 15 116.1900 . A 15 LEU H H 1 7.3010 . A 15 LEU HA H 1 4.3090 . A 15 LEU HBy H 1 2.0770 . A 15 LEU HBx H 1 1.2700 . A 15 LEU HDx% H 1 0.8170 . A 15 LEU HDy% H 1 0.6820 . A 15 LEU HG H 1 1.8130 . A 15 LEU CA C 13 54.6890 . A 15 LEU CB C 13 41.9300 . A 15 LEU CDx C 13 24.5960 . A 15 LEU CDy C 13 27.0770 . A 15 LEU CG C 13 26.1620 . A 15 LEU N N 15 119.5300 . A 16 GLU H H 1 8.8370 . A 16 GLU HA H 1 4.5160 . A 16 GLU HBy H 1 2.4040 . A 16 GLU HBx H 1 2.0500 . A 16 GLU HGx H 1 2.5720 . A 16 GLU HGy H 1 2.5720 . A 16 GLU CA C 13 55.8060 . A 16 GLU CB C 13 29.2320 . A 16 GLU CG C 13 34.2570 . A 16 GLU N N 15 121.8400 . A 17 ASP H H 1 8.9510 . A 17 ASP HA H 1 4.3490 . A 17 ASP HBx H 1 2.7900 . A 17 ASP HBy H 1 2.7900 . A 17 ASP CA C 13 58.7680 . A 17 ASP CB C 13 40.3580 . A 17 ASP N N 15 122.0700 . A 18 VAL H H 1 8.6130 . A 18 VAL HA H 1 3.8590 . A 18 VAL HB H 1 2.1550 . A 18 VAL HGx% H 1 0.9710 . A 18 VAL HGy% H 1 1.0600 . A 18 VAL CA C 13 65.9860 . A 18 VAL CB C 13 31.5430 . A 18 VAL CGx C 13 20.9520 . A 18 VAL CGy C 13 21.8320 . A 18 VAL N N 15 118.1500 . A 19 ASP H H 1 7.3580 . A 19 ASP HA H 1 4.7060 . A 19 ASP HBy H 1 2.9110 . A 19 ASP HBx H 1 2.7170 . A 19 ASP CA C 13 56.8200 . A 19 ASP CB C 13 41.8580 . A 19 ASP N N 15 120.6000 . A 20 LEU H H 1 8.6350 . A 20 LEU HA H 1 4.1470 . A 20 LEU HBy H 1 2.0780 . A 20 LEU HBx H 1 1.4570 . A 20 LEU HDx% H 1 0.8520 . A 20 LEU HDy% H 1 0.8520 . A 20 LEU HG H 1 1.5540 . A 20 LEU CA C 13 58.1150 . A 20 LEU CB C 13 40.9190 . A 20 LEU CDx C 13 23.6200 . A 20 LEU CDy C 13 23.6200 . A 20 LEU CG C 13 27.0340 . A 20 LEU N N 15 123.0200 . A 21 LYS H H 1 7.9140 . A 21 LYS HA H 1 4.0320 . A 21 LYS HBx H 1 2.0100 . A 21 LYS HBy H 1 2.0100 . A 21 LYS HDx H 1 1.6790 . A 21 LYS HDy H 1 1.6790 . A 21 LYS HEx H 1 2.9970 . A 21 LYS HEy H 1 2.9970 . A 21 LYS HGx H 1 1.6790 . A 21 LYS HGy H 1 1.6790 . A 21 LYS CA C 13 60.3400 . A 21 LYS CB C 13 32.2910 . A 21 LYS N N 15 119.1200 . A 22 LYS H H 1 7.7150 . A 22 LYS HA H 1 4.1800 . A 22 LYS HBy H 1 2.1590 . A 22 LYS HBx H 1 1.9870 . A 22 LYS HDx H 1 1.8630 . A 22 LYS HDy H 1 1.8630 . A 22 LYS HEx H 1 3.0010 . A 22 LYS HEy H 1 3.0010 . A 22 LYS HGx H 1 1.5950 . A 22 LYS HGy H 1 1.5950 . A 22 LYS CA C 13 60.1790 . A 22 LYS CB C 13 33.6150 . A 22 LYS N N 15 118.6600 . A 23 PHE H H 1 9.1480 . A 23 PHE HA H 1 3.9710 . A 23 PHE HBy H 1 3.6540 . A 23 PHE HBx H 1 3.1430 . A 23 PHE HEx H 1 6.9670 . A 23 PHE HEy H 1 6.9670 . A 23 PHE HZ H 1 6.6040 . A 23 PHE CA C 13 61.3900 . A 23 PHE CB C 13 40.4530 . A 23 PHE CEx C 13 131.8820 . A 23 PHE CEy C 13 131.8820 . A 23 PHE CZ C 13 128.9500 . A 23 PHE N N 15 123.3600 . A 24 LYS H H 1 8.7500 . A 24 LYS HA H 1 3.7750 . A 24 LYS HBy H 1 2.0400 . A 24 LYS HBx H 1 1.7740 . A 24 LYS CA C 13 61.2150 . A 24 LYS CB C 13 33.3070 . A 24 LYS N N 15 117.6600 . A 25 MET H H 1 8.0050 . A 25 MET HA H 1 3.9550 . A 25 MET HBx H 1 2.1180 . A 25 MET HBy H 1 2.1180 . A 25 MET HE% H 1 2.0930 . A 25 MET HGy H 1 2.6370 . A 25 MET HGx H 1 2.3970 . A 25 MET CA C 13 59.2610 . A 25 MET CB C 13 32.2760 . A 25 MET CG C 13 31.7530 . A 25 MET N N 15 118.1400 . A 26 HIS H H 1 7.7790 . A 26 HIS HA H 1 4.3210 . A 26 HIS HBx H 1 3.1590 . A 26 HIS HBy H 1 3.1590 . A 26 HIS HD2 H 1 7.2260 . A 26 HIS CA C 13 59.2080 . A 26 HIS CB C 13 29.5720 . A 26 HIS CD2 C 13 120.0100 . A 26 HIS N N 15 114.6100 . A 27 LEU H H 1 7.9540 . A 27 LEU HA H 1 4.0010 . A 27 LEU HBy H 1 1.9660 . A 27 LEU HBx H 1 1.4850 . A 27 LEU HDx% H 1 0.7350 . A 27 LEU HDy% H 1 0.7350 . A 27 LEU HG H 1 0.9690 . A 27 LEU CA C 13 57.7460 . A 27 LEU CB C 13 42.9060 . A 27 LEU CDx C 13 24.3140 . A 27 LEU CDy C 13 24.3140 . A 27 LEU CG C 13 26.6250 . A 27 LEU N N 15 119.4600 . A 28 GLU H H 1 7.8700 . A 28 GLU HA H 1 4.3030 . A 28 GLU HBx H 1 2.0410 . A 28 GLU HBy H 1 2.0410 . A 28 GLU HGy H 1 2.5920 . A 28 GLU HGx H 1 2.3230 . A 28 GLU CA C 13 57.2400 . A 28 GLU CB C 13 28.5010 . A 28 GLU CG C 13 34.6390 . A 28 GLU N N 15 116.8100 . A 29 ASP H H 1 7.5480 . A 29 ASP HA H 1 4.8680 . A 29 ASP HBy H 1 2.8560 . A 29 ASP HBx H 1 2.6330 . A 29 ASP CA C 13 52.1270 . A 29 ASP CB C 13 38.9300 . A 29 ASP N N 15 116.7320 . A 30 TYR H H 1 6.8370 . A 30 TYR HA H 1 4.3340 . A 30 TYR HBy H 1 3.1640 . A 30 TYR HBx H 1 2.6520 . A 30 TYR HDx H 1 6.9600 . A 30 TYR HDy H 1 6.9600 . A 30 TYR HEx H 1 6.4830 . A 30 TYR HEy H 1 6.4830 . A 30 TYR CA C 13 58.7500 . A 30 TYR CB C 13 39.0490 . A 30 TYR CDx C 13 133.4660 . A 30 TYR CDy C 13 133.4660 . A 30 TYR CEx C 13 118.2750 . A 30 TYR CEy C 13 118.2750 . A 30 TYR N N 15 125.4600 . A 32 PRO HA H 1 4.5330 . A 32 PRO HBy H 1 2.1560 . A 32 PRO HBx H 1 1.9660 . A 32 PRO HDy H 1 3.7500 . A 32 PRO HDx H 1 3.5400 . A 32 PRO HGx H 1 1.9660 . A 32 PRO HGy H 1 1.9660 . A 32 PRO CA C 13 63.3220 . A 32 PRO CB C 13 31.3290 . A 32 PRO CD C 13 50.7450 . A 32 PRO CG C 13 27.5460 . A 33 GLN H H 1 8.4530 . A 33 GLN HA H 1 4.2870 . A 33 GLN HBx H 1 2.0060 . A 33 GLN HBy H 1 2.0060 . A 33 GLN HGx H 1 2.2730 . A 33 GLN HGy H 1 2.2730 . A 33 GLN CA C 13 56.0120 . A 33 GLN CB C 13 29.7300 . A 33 GLN CG C 13 34.2900 . A 33 GLN N N 15 120.0600 . A 34 LYS H H 1 8.3760 . A 34 LYS HA H 1 4.1270 . A 34 LYS HBx H 1 1.8440 . A 34 LYS HBy H 1 1.8440 . A 34 LYS HDx H 1 1.4780 . A 34 LYS HDy H 1 1.4780 . A 34 LYS HGx H 1 1.2740 . A 34 LYS HGy H 1 1.2740 . A 34 LYS CA C 13 57.2480 . A 34 LYS CB C 13 31.8370 . A 34 LYS N N 15 121.0200 . A 35 GLY H H 1 8.6300 . A 35 GLY HAx H 1 3.7680 . A 35 GLY HAy H 1 3.7680 . A 35 GLY CA C 13 45.9990 . A 35 GLY N N 15 110.3700 . A 36 CYS H H 1 7.8550 . A 36 CYS HA H 1 4.6840 . A 36 CYS HBy H 1 2.8050 . A 36 CYS HBx H 1 2.6000 . A 36 CYS CA C 13 58.4920 . A 36 CYS CB C 13 29.9190 . A 36 CYS N N 15 117.8500 . A 37 ILE H H 1 9.3620 . A 37 ILE HA H 1 4.6040 . A 37 ILE HB H 1 1.8900 . A 37 ILE HD1% H 1 0.8980 . A 37 ILE HG1y H 1 1.5120 . A 37 ILE HG1x H 1 1.1990 . A 37 ILE HG2% H 1 1.0450 . A 37 ILE CA C 13 58.2430 . A 37 ILE CB C 13 39.3280 . A 37 ILE CD1 C 13 12.9320 . A 37 ILE CG1 C 13 26.8600 . A 37 ILE CG2 C 13 17.3150 . A 37 ILE N N 15 125.5400 . A 38 PRO HA H 1 4.3500 . A 38 PRO HBy H 1 2.2610 . A 38 PRO HBx H 1 1.8570 . A 38 PRO HDy H 1 3.8440 . A 38 PRO HDx H 1 3.7140 . A 38 PRO HGx H 1 1.9630 . A 38 PRO HGy H 1 1.9630 . A 38 PRO CA C 13 62.2450 . A 38 PRO CB C 13 32.4600 . A 38 PRO CG C 13 27.7530 . A 39 LEU H H 1 7.5030 . A 39 LEU HA H 1 3.8900 . A 39 LEU HBy H 1 1.2280 . A 39 LEU HBx H 1 1.1220 . A 39 LEU HDx% H 1 0.6960 . A 39 LEU HDy% H 1 0.5800 . A 39 LEU HG H 1 1.3470 . A 39 LEU CA C 13 52.3530 . A 39 LEU CB C 13 41.3780 . A 39 LEU CDy C 13 25.6340 . A 39 LEU CDx C 13 25.3740 . A 39 LEU CG C 13 29.0200 . A 39 LEU N N 15 120.9500 . A 40 PRO HA H 1 4.3500 . A 40 PRO HBy H 1 2.2960 . A 40 PRO HBx H 1 1.9580 . A 40 PRO HDy H 1 3.8440 . A 40 PRO HDx H 1 3.7140 . A 40 PRO HGx H 1 1.8490 . A 40 PRO HGy H 1 1.8490 . A 40 PRO CA C 13 62.3010 . A 40 PRO CB C 13 32.2480 . A 40 PRO CD C 13 50.7800 . A 40 PRO CG C 13 27.2600 . A 41 ARG H H 1 8.9970 . A 41 ARG HA H 1 3.8280 . A 41 ARG HBx H 1 1.7830 . A 41 ARG HBy H 1 1.7830 . A 41 ARG HDx H 1 3.1600 . A 41 ARG HDy H 1 3.1600 . A 41 ARG HGx H 1 1.5460 . A 41 ARG HGy H 1 1.5460 . A 41 ARG CA C 13 60.7040 . A 41 ARG CB C 13 30.2810 . A 41 ARG CD C 13 43.2290 . A 41 ARG CG C 13 27.1090 . A 41 ARG N N 15 127.0300 . A 42 GLY H H 1 8.8200 . A 42 GLY HAx H 1 3.7290 . A 42 GLY HAy H 1 3.7290 . A 42 GLY CA C 13 47.5050 . A 42 GLY N N 15 106.7700 . A 43 GLN H H 1 7.7240 . A 43 GLN HA H 1 4.0140 . A 43 GLN HBy H 1 2.0430 . A 43 GLN HBx H 1 1.7630 . A 43 GLN HGx H 1 2.3990 . A 43 GLN HGy H 1 2.3990 . A 43 GLN CA C 13 58.6970 . A 43 GLN CB C 13 29.8200 . A 43 GLN CG C 13 34.7830 . A 43 GLN N N 15 118.0700 . A 44 THR H H 1 7.6410 . A 44 THR HA H 1 4.2200 . A 44 THR HB H 1 4.2200 . A 44 THR HG2% H 1 1.2750 . A 44 THR CA C 13 67.7810 . A 44 THR CB C 13 67.7810 . A 44 THR CG2 C 13 22.1870 . A 44 THR N N 15 115.6700 . A 45 GLU H H 1 8.4120 . A 45 GLU HA H 1 3.7500 . A 45 GLU HBy H 1 2.0530 . A 45 GLU HBx H 1 1.8270 . A 45 GLU HGx H 1 2.3790 . A 45 GLU HGy H 1 2.3790 . A 45 GLU CA C 13 59.8290 . A 45 GLU CB C 13 29.3250 . A 45 GLU CG C 13 36.0400 . A 45 GLU N N 15 119.3400 . A 46 LYS H H 1 7.2890 . A 46 LYS HA H 1 4.1720 . A 46 LYS HBx H 1 1.7960 . A 46 LYS HBy H 1 1.7960 . A 46 LYS HEx H 1 2.9910 . A 46 LYS HEy H 1 2.9910 . A 46 LYS CA C 13 56.8370 . A 46 LYS CB C 13 33.2810 . A 46 LYS N N 15 115.7000 . A 47 ALA H H 1 7.0720 . A 47 ALA HA H 1 4.2870 . A 47 ALA HB% H 1 1.3900 . A 47 ALA CA C 13 53.1010 . A 47 ALA CB C 13 19.6760 . A 47 ALA N N 15 121.8800 . A 48 ASP H H 1 8.6540 . A 48 ASP HA H 1 4.6630 . A 48 ASP HBy H 1 3.2210 . A 48 ASP HBx H 1 2.8720 . A 48 ASP CA C 13 52.0460 . A 48 ASP CB C 13 39.7030 . A 48 ASP N N 15 121.4400 . A 49 HIS H H 1 8.3160 . A 49 HIS HA H 1 3.9720 . A 49 HIS HBy H 1 3.2810 . A 49 HIS HBx H 1 3.0390 . A 49 HIS HD2 H 1 7.4170 . A 49 HIS CA C 13 60.2760 . A 49 HIS CB C 13 28.7410 . A 49 HIS CD2 C 13 120.7820 . A 49 HIS N N 15 112.5400 . A 50 VAL H H 1 7.6100 . A 50 VAL HA H 1 3.6770 . A 50 VAL HB H 1 2.0170 . A 50 VAL HGx% H 1 0.8350 . A 50 VAL HGy% H 1 0.7720 . A 50 VAL CA C 13 65.8230 . A 50 VAL CB C 13 31.8030 . A 50 VAL CGx C 13 20.9510 . A 50 VAL CGy C 13 22.2540 . A 50 VAL N N 15 117.4600 . A 51 ASP H H 1 8.4900 . A 51 ASP HA H 1 4.4350 . A 51 ASP HBx H 1 2.7050 . A 51 ASP HBy H 1 2.7050 . A 51 ASP CA C 13 56.5920 . A 51 ASP CB C 13 39.4150 . A 51 ASP N N 15 121.4300 . A 52 LEU H H 1 8.6490 . A 52 LEU HA H 1 3.9670 . A 52 LEU HBy H 1 1.7250 . A 52 LEU HBx H 1 1.4790 . A 52 LEU HDx% H 1 0.9080 . A 52 LEU HDy% H 1 0.9080 . A 52 LEU CA C 13 57.6770 . A 52 LEU CB C 13 41.7080 . A 52 LEU CDx C 13 23.9060 . A 52 LEU CDy C 13 23.9060 . A 52 LEU N N 15 121.0300 . A 53 ALA H H 1 7.4230 . A 53 ALA HA H 1 3.9350 . A 53 ALA HB% H 1 1.4470 . A 53 ALA CA C 13 55.5980 . A 53 ALA CB C 13 18.0940 . A 53 ALA N N 15 120.4400 . A 54 THR H H 1 7.6830 . A 54 THR HA H 1 3.7120 . A 54 THR HB H 1 4.3530 . A 54 THR HG2% H 1 1.2090 . A 54 THR CA C 13 66.8640 . A 54 THR CB C 13 68.8680 . A 54 THR CG2 C 13 21.9900 . A 54 THR N N 15 113.2100 . A 55 LEU H H 1 8.3140 . A 55 LEU HA H 1 4.1740 . A 55 LEU HBy H 1 1.8300 . A 55 LEU HBx H 1 1.6090 . A 55 LEU HDx% H 1 0.7910 . A 55 LEU HDy% H 1 0.7820 . A 55 LEU CA C 13 58.4030 . A 55 LEU CB C 13 43.0380 . A 55 LEU CDy C 13 25.1290 . A 55 LEU CDx C 13 23.6170 . A 55 LEU N N 15 122.8000 . A 56 MET H H 1 8.3790 . A 56 MET HA H 1 3.8310 . A 56 MET HBy H 1 2.2690 . A 56 MET HBx H 1 2.0990 . A 56 MET HE% H 1 2.0610 . A 56 MET HGx H 1 2.9090 . A 56 MET HGy H 1 2.9090 . A 56 MET CA C 13 60.8490 . A 56 MET CB C 13 34.6680 . A 56 MET CE C 13 17.6000 . A 56 MET CG C 13 33.7000 . A 56 MET N N 15 115.7900 . A 57 ILE H H 1 8.0070 . A 57 ILE HA H 1 3.4370 . A 57 ILE HB H 1 1.8630 . A 57 ILE HD1% H 1 0.8790 . A 57 ILE HG1y H 1 1.7790 . A 57 ILE HG1x H 1 0.7870 . A 57 ILE HG2% H 1 0.9030 . A 57 ILE CA C 13 64.8500 . A 57 ILE CB C 13 38.3520 . A 57 ILE CD1 C 13 13.7900 . A 57 ILE CG1 C 13 30.2630 . A 57 ILE CG2 C 13 17.7400 . A 57 ILE N N 15 120.3700 . A 58 ASP H H 1 9.2710 . A 58 ASP HA H 1 4.3470 . A 58 ASP HBy H 1 3.0970 . A 58 ASP HBx H 1 2.7230 . A 58 ASP CA C 13 56.6620 . A 58 ASP CB C 13 37.9100 . A 58 ASP N N 15 122.5690 . A 59 PHE H H 1 8.0250 . A 59 PHE HA H 1 4.2240 . A 59 PHE HBy H 1 2.9710 . A 59 PHE HBx H 1 2.8440 . A 59 PHE HDx H 1 7.1500 . A 59 PHE HDy H 1 7.1500 . A 59 PHE HEx H 1 7.1660 . A 59 PHE HEy H 1 7.1660 . A 59 PHE HZ H 1 6.6780 . A 59 PHE CA C 13 61.3760 . A 59 PHE CB C 13 40.5300 . A 59 PHE CDx C 13 131.8660 . A 59 PHE CDy C 13 131.8660 . A 59 PHE CEx C 13 130.0380 . A 59 PHE CEy C 13 130.0380 . A 59 PHE CZ C 13 128.4740 . A 59 PHE N N 15 114.3400 . A 60 ASN H H 1 7.6010 . A 60 ASN HA H 1 4.1320 . A 60 ASN HBy H 1 2.7670 . A 60 ASN HBx H 1 2.5280 . A 60 ASN CA C 13 54.6140 . A 60 ASN CB C 13 42.9600 . A 60 ASN N N 15 112.8300 . A 61 GLY H H 1 8.6260 . A 61 GLY HAx H 1 3.9880 . A 61 GLY HAy H 1 3.9880 . A 61 GLY CA C 13 44.7420 . A 61 GLY N N 15 110.8400 . A 62 GLU H H 1 8.8410 . A 62 GLU HA H 1 3.9320 . A 62 GLU HBx H 1 2.1640 . A 62 GLU HBy H 1 2.1640 . A 62 GLU HGy H 1 2.5600 . A 62 GLU HGx H 1 2.3580 . A 62 GLU CA C 13 61.7390 . A 62 GLU CB C 13 30.2480 . A 62 GLU CG C 13 36.6300 . A 62 GLU N N 15 117.9900 . A 63 GLU H H 1 8.5350 . A 63 GLU HA H 1 4.0280 . A 63 GLU HBx H 1 2.1340 . A 63 GLU HBy H 1 2.1340 . A 63 GLU HGx H 1 2.4720 . A 63 GLU HGy H 1 2.4720 . A 63 GLU CA C 13 60.7520 . A 63 GLU CB C 13 28.3240 . A 63 GLU CG C 13 34.8700 . A 63 GLU N N 15 118.0900 . A 64 LYS H H 1 9.1070 . A 64 LYS HA H 1 4.0820 . A 64 LYS HBy H 1 2.0330 . A 64 LYS HBx H 1 1.7900 . A 64 LYS HDx H 1 1.6280 . A 64 LYS HDy H 1 1.6280 . A 64 LYS HGx H 1 1.4660 . A 64 LYS HGy H 1 1.4660 . A 64 LYS CA C 13 59.1840 . A 64 LYS CB C 13 31.7580 . A 64 LYS CE C 13 41.9000 . A 64 LYS N N 15 119.7200 . A 65 ALA H H 1 8.1790 . A 65 ALA HA H 1 3.9180 . A 65 ALA HB% H 1 1.3640 . A 65 ALA CA C 13 55.9340 . A 65 ALA CB C 13 19.5890 . A 65 ALA N N 15 120.0300 . A 66 TRP H H 1 7.9000 . A 66 TRP HA H 1 3.9740 . A 66 TRP HBx H 1 3.3440 . A 66 TRP HBy H 1 3.3440 . A 66 TRP HD1 H 1 7.1440 . A 66 TRP HE3 H 1 7.4170 . A 66 TRP HH2 H 1 7.4130 . A 66 TRP HZ2 H 1 7.5130 . A 66 TRP CA C 13 61.3020 . A 66 TRP CB C 13 28.9550 . A 66 TRP CD1 C 13 126.7890 . A 66 TRP CE3 C 13 120.7820 . A 66 TRP CH2 C 13 119.8290 . A 66 TRP CZ2 C 13 110.2390 . A 66 TRP N N 15 116.2100 . A 67 ALA H H 1 7.7540 . A 67 ALA HA H 1 4.0310 . A 67 ALA HB% H 1 1.5390 . A 67 ALA CA C 13 55.6120 . A 67 ALA CB C 13 18.1060 . A 67 ALA N N 15 119.6400 . A 68 MET H H 1 8.5000 . A 68 MET HA H 1 4.2620 . A 68 MET HBy H 1 1.8690 . A 68 MET HBx H 1 1.5520 . A 68 MET HE% H 1 1.9630 . A 68 MET HGx H 1 2.4100 . A 68 MET HGy H 1 2.4400 . A 68 MET CA C 13 58.6470 . A 68 MET CB C 13 34.3690 . A 68 MET CG C 13 31.9500 . A 68 MET N N 15 118.2600 . A 69 ALA H H 1 7.9220 . A 69 ALA HA H 1 3.5730 . A 69 ALA HB% H 1 1.0620 . A 69 ALA CA C 13 55.6290 . A 69 ALA CB C 13 17.7130 . A 69 ALA N N 15 120.3580 . A 70 VAL H H 1 8.2020 . A 70 VAL HA H 1 3.4030 . A 70 VAL HB H 1 2.1320 . A 70 VAL HGx% H 1 0.9160 . A 70 VAL HGy% H 1 0.9160 . A 70 VAL CA C 13 67.9340 . A 70 VAL CB C 13 32.2880 . A 70 VAL CGx C 13 23.1600 . A 70 VAL CGy C 13 23.1600 . A 70 VAL N N 15 114.9160 . A 71 TRP H H 1 7.8060 . A 71 TRP HA H 1 4.1370 . A 71 TRP HBy H 1 3.6710 . A 71 TRP HBx H 1 3.3600 . A 71 TRP HD1 H 1 7.1850 . A 71 TRP HE3 H 1 6.9470 . A 71 TRP HH2 H 1 7.0950 . A 71 TRP HZ2 H 1 7.3610 . A 71 TRP HZ3 H 1 7.0050 . A 71 TRP CA C 13 62.2620 . A 71 TRP CB C 13 29.2420 . A 71 TRP CD1 C 13 126.9390 . A 71 TRP CE3 C 13 123.7320 . A 71 TRP CH2 C 13 124.6160 . A 71 TRP CZ2 C 13 114.5610 . A 71 TRP CZ3 C 13 121.9970 . A 71 TRP N N 15 118.4000 . A 72 ILE H H 1 8.6540 . A 72 ILE HA H 1 3.1220 . A 72 ILE HB H 1 1.3670 . A 72 ILE HD1% H 1 0.2020 . A 72 ILE HG1y H 1 2.4890 . A 72 ILE HG1x H 1 0.5250 . A 72 ILE HG2% H 1 0.3990 . A 72 ILE CA C 13 65.8630 . A 72 ILE CB C 13 36.6700 . A 72 ILE CD1 C 13 13.7900 . A 72 ILE CG1 C 13 30.1900 . A 72 ILE CG2 C 13 21.9900 . A 72 ILE N N 15 119.4300 . A 73 PHE H H 1 9.0150 . A 73 PHE HA H 1 4.5140 . A 73 PHE HBy H 1 3.4700 . A 73 PHE HBx H 1 3.2900 . A 73 PHE CA C 13 59.1540 . A 73 PHE CB C 13 37.3210 . A 73 PHE N N 15 118.7600 . A 74 ALA H H 1 7.3630 . A 74 ALA HA H 1 3.6610 . A 74 ALA HB% H 1 0.9000 . A 74 ALA CA C 13 55.1620 . A 74 ALA CB C 13 17.1510 . A 74 ALA N N 15 118.1900 . A 75 ALA H H 1 7.6400 . A 75 ALA HA H 1 3.7350 . A 75 ALA HB% H 1 0.5890 . A 75 ALA CA C 13 54.6260 . A 75 ALA CB C 13 17.5770 . A 75 ALA N N 15 122.9200 . A 76 ILE H H 1 7.9010 . A 76 ILE HA H 1 4.4960 . A 76 ILE HB H 1 2.3350 . A 76 ILE HD1% H 1 1.0950 . A 76 ILE HG1y H 1 1.8990 . A 76 ILE HG1x H 1 1.4160 . A 76 ILE HG2% H 1 0.7330 . A 76 ILE CA C 13 60.6780 . A 76 ILE CB C 13 37.3920 . A 76 ILE CD1 C 13 15.5500 . A 76 ILE CG1 C 13 25.5000 . A 76 ILE CG2 C 13 17.3100 . A 76 ILE N N 15 108.8500 . A 77 ASN H H 1 7.8650 . A 77 ASN HA H 1 4.2580 . A 77 ASN HBy H 1 3.2770 . A 77 ASN HBx H 1 2.7700 . A 77 ASN CA C 13 55.0700 . A 77 ASN CB C 13 36.9180 . A 77 ASN N N 15 116.2320 . A 78 ARG H H 1 8.3250 . A 78 ARG HA H 1 4.9680 . A 78 ARG HBx H 1 1.7300 . A 78 ARG HBy H 1 1.7300 . A 78 ARG HDx H 1 3.0930 . A 78 ARG HDy H 1 3.0930 . A 78 ARG HGx H 1 1.9490 . A 78 ARG HGy H 1 1.9490 . A 78 ARG CA C 13 50.9230 . A 78 ARG CB C 13 26.6170 . A 78 ARG CD C 13 43.1790 . A 78 ARG CG C 13 27.3910 . A 78 ARG N N 15 118.8100 . A 79 ARG H H 1 8.1710 . A 79 ARG HA H 1 3.9110 . A 79 ARG HBx H 1 1.8950 . A 79 ARG HBy H 1 1.8950 . A 79 ARG CA C 13 59.1940 . A 79 ARG CB C 13 29.5580 . A 79 ARG N N 15 122.2700 . A 80 ASP H H 1 9.1240 . A 80 ASP HA H 1 3.8590 . A 80 ASP HBx H 1 2.4850 . A 80 ASP HBy H 1 2.8710 . A 80 ASP CA C 13 56.1650 . A 80 ASP CB C 13 38.3720 . A 80 ASP N N 15 117.1800 . A 81 LEU H H 1 7.2670 . A 81 LEU HA H 1 3.8390 . A 81 LEU HBy H 1 1.0330 . A 81 LEU HBx H 1 0.1440 . A 81 LEU HDx% H 1 0.5880 . A 81 LEU HDy% H 1 0.3740 . A 81 LEU HG H 1 1.3580 . A 81 LEU CA C 13 56.7630 . A 81 LEU CB C 13 40.2890 . A 81 LEU CDx C 13 21.9900 . A 81 LEU CDy C 13 26.0400 . A 81 LEU CG C 13 26.6400 . A 81 LEU N N 15 120.5400 . A 82 TYR H H 1 8.0410 . A 82 TYR HA H 1 4.1590 . A 82 TYR HBy H 1 3.2250 . A 82 TYR HBx H 1 2.9710 . A 82 TYR HDx H 1 7.0410 . A 82 TYR HDy H 1 7.0410 . A 82 TYR HEx H 1 6.7760 . A 82 TYR HEy H 1 6.7760 . A 82 TYR CA C 13 62.2390 . A 82 TYR CB C 13 38.6910 . A 82 TYR CDx C 13 133.1520 . A 82 TYR CDy C 13 133.1520 . A 82 TYR CEx C 13 118.1970 . A 82 TYR CEy C 13 118.1970 . A 82 TYR N N 15 119.1400 . A 83 GLU H H 1 8.1940 . A 83 GLU HA H 1 3.6960 . A 83 GLU HBx H 1 2.0710 . A 83 GLU HBy H 1 2.0710 . A 83 GLU HGx H 1 2.6080 . A 83 GLU HGy H 1 2.6080 . A 83 GLU CA C 13 59.0800 . A 83 GLU CB C 13 29.1370 . A 83 GLU CG C 13 34.7760 . A 83 GLU N N 15 115.6200 . A 84 LYS H H 1 7.4460 . A 84 LYS HA H 1 3.9170 . A 84 LYS HBy H 1 2.0950 . A 84 LYS HBx H 1 1.6690 . A 84 LYS HDx H 1 1.5150 . A 84 LYS HDy H 1 1.5150 . A 84 LYS HEx H 1 2.9230 . A 84 LYS HEy H 1 2.9230 . A 84 LYS HGx H 1 1.3890 . A 84 LYS HGy H 1 1.3890 . A 84 LYS CA C 13 59.7640 . A 84 LYS CB C 13 33.3740 . A 84 LYS CE C 13 41.9340 . A 84 LYS CG C 13 24.9530 . A 84 LYS N N 15 118.0800 . A 85 ALA H H 1 8.6510 . A 85 ALA HA H 1 4.1230 . A 85 ALA HB% H 1 1.1770 . A 85 ALA CA C 13 55.1100 . A 85 ALA CB C 13 18.3820 . A 85 ALA N N 15 120.4700 . A 86 LYS H H 1 8.0590 . A 86 LYS HA H 1 4.0100 . A 86 LYS HBx H 1 1.5930 . A 86 LYS HBy H 1 1.5930 . A 86 LYS HDx H 1 1.5930 . A 86 LYS HDy H 1 1.5930 . A 86 LYS HEx H 1 2.8130 . A 86 LYS HEy H 1 2.8130 . A 86 LYS HGx H 1 1.2630 . A 86 LYS HGy H 1 1.2630 . A 86 LYS CA C 13 59.1690 . A 86 LYS CB C 13 31.7910 . A 86 LYS CD C 13 28.7510 . A 86 LYS N N 15 117.6100 . A 87 ARG H H 1 7.1960 . A 87 ARG HA H 1 4.1650 . A 87 ARG HBx H 1 1.9050 . A 87 ARG HBy H 1 1.9050 . A 87 ARG HDx H 1 3.1140 . A 87 ARG HDy H 1 3.1140 . A 87 ARG CA C 13 57.7000 . A 87 ARG CB C 13 30.3160 . A 87 ARG CD C 13 43.2330 . A 87 ARG N N 15 116.9000 . A 88 ASP H H 1 7.5070 . A 88 ASP HA H 1 4.6940 . A 88 ASP HBy H 1 2.8170 . A 88 ASP HBx H 1 2.6800 . A 88 ASP CA C 13 53.6690 . A 88 ASP CB C 13 42.4190 . A 88 ASP N N 15 119.2900 . A 89 GLU H H 1 7.3370 . A 89 GLU HA H 1 3.4040 . A 89 GLU HBy H 1 1.9850 . A 89 GLU HBx H 1 1.9040 . A 89 GLU HGy H 1 2.4440 . A 89 GLU HGx H 1 2.3600 . A 89 GLU CA C 13 54.4350 . A 89 GLU CB C 13 28.2210 . A 89 GLU CG C 13 33.1200 . A 89 GLU N N 15 119.9700 . A 90 PRO HA H 1 4.2060 . A 90 PRO HBy H 1 2.0760 . A 90 PRO HBx H 1 1.8160 . A 90 PRO HDy H 1 2.9660 . A 90 PRO HDx H 1 2.6260 . A 90 PRO HGy H 1 1.7480 . A 90 PRO HGx H 1 1.6590 . A 90 PRO CA C 13 63.2560 . A 90 PRO CB C 13 31.7930 . A 90 PRO CD C 13 50.1000 . A 90 PRO CG C 13 27.2600 . A 91 LYS H H 1 8.0110 . A 91 LYS HA H 1 4.2240 . A 91 LYS HBx H 1 1.7850 . A 91 LYS HBy H 1 1.7850 . A 91 LYS HDx H 1 1.6290 . A 91 LYS HDy H 1 1.6290 . A 91 LYS HEx H 1 2.9540 . A 91 LYS HEy H 1 2.9540 . A 91 LYS HGx H 1 1.4160 . A 91 LYS HGy H 1 1.4160 . A 91 LYS CA C 13 57.3730 . A 91 LYS CB C 13 33.3490 . A 91 LYS CD C 13 29.0820 . A 91 LYS CG C 13 24.9850 . A 91 LYS N N 15 124.7010 . 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 4 THR H A 3 SER HBy 1.0 2.9 5.5 2 1 A 3 SER HBx A 4 THR H 1.0 2.9 5.5 3 2 A 3 SER HBy A 3 SER HA 1.0 2.6 4.9 4 2 A 3 SER HBx A 3 SER HA 1.0 2.6 4.9 5 3 A 3 SER HBy A 3 SER HA 1.0 2.6 4.7 6 3 A 3 SER HBx A 3 SER HA 1.0 2.6 4.7 7 4 A 3 SER HA A 4 THR HA 1.0 3.0 5.6 8 5 A 4 THR HA A 4 THR HG2% 1.0 2.4 4.5 9 6 A 4 THR H A 4 THR HA 1.0 3.0 5.6 10 7 A 4 THR HA A 7 LYS HDx 1.0 2.3 4.3 11 7 A 4 THR HA A 7 LYS HDy 1.0 2.3 4.3 12 8 A 4 THR HA A 8 LEU H 1.0 2.7 5.0 13 9 A 4 THR HA A 90 PRO HGy 1.0 2.8 5.2 14 9 A 4 THR HA A 90 PRO HGx 1.0 2.8 5.2 15 10 A 4 THR HG2% A 4 THR HB 1.0 2.1 3.9 16 11 A 8 LEU H A 4 THR HB 1.0 2.7 5.0 17 12 A 4 THR HG2% A 6 CYS H 1.0 2.9 5.5 18 13 A 4 THR HG2% A 8 LEU HDy% 1.0 2.8 5.2 19 13 A 4 THR HG2% A 8 LEU HDx% 1.0 2.8 5.2 20 14 A 4 THR HG2% A 57 ILE HD1% 1.0 2.0 3.8 21 15 A 4 THR HG2% A 62 GLU HGy 1.0 2.9 5.3 22 15 A 4 THR HG2% A 62 GLU HGx 1.0 2.9 5.3 23 16 A 4 THR HG2% A 62 GLU HGy 1.0 2.6 4.9 24 16 A 4 THR HG2% A 62 GLU HGx 1.0 2.6 4.9 25 17 A 4 THR HG2% A 62 GLU HBx 1.0 3.3 6.1 26 17 A 4 THR HG2% A 62 GLU HBy 1.0 3.3 6.1 27 18 A 4 THR HG2% A 90 PRO HBy 1.0 2.5 4.6 28 18 A 4 THR HG2% A 90 PRO HBx 1.0 2.5 4.6 29 19 A 4 THR HG2% A 90 PRO HGy 1.0 2.0 3.8 30 19 A 4 THR HG2% A 90 PRO HGx 1.0 2.0 3.8 31 20 A 57 ILE HD1% A 5 ARG HA 1.0 2.4 4.5 32 21 A 50 VAL HGx% A 5 ARG HDy 1.0 3.0 5.6 33 21 A 50 VAL HGy% A 5 ARG HDy 1.0 3.0 5.6 34 21 A 5 ARG HDx A 50 VAL HGy% 1.0 3.0 5.6 35 21 A 5 ARG HDx A 50 VAL HGx% 1.0 3.0 5.6 36 22 A 5 ARG HDy A 54 THR HG2% 1.0 2.5 4.6 37 22 A 5 ARG HDx A 54 THR HG2% 1.0 2.5 4.6 38 23 A 50 VAL HGx% A 5 ARG HDy 1.0 2.7 5.0 39 23 A 50 VAL HGy% A 5 ARG HDy 1.0 2.7 5.0 40 23 A 5 ARG HDx A 50 VAL HGy% 1.0 2.7 5.0 41 23 A 5 ARG HDx A 50 VAL HGx% 1.0 2.7 5.0 42 24 A 5 ARG HDy A 54 THR HG2% 1.0 2.6 4.9 43 24 A 5 ARG HDx A 54 THR HG2% 1.0 2.6 4.9 44 25 A 5 ARG HA A 5 ARG H 1.0 2.7 5.0 45 26 A 57 ILE HD1% A 5 ARG HA 1.0 2.3 4.2 46 27 A 5 ARG HBy A 6 CYS HBx 1.0 2.3 4.3 47 27 A 6 CYS HBy A 5 ARG HBx 1.0 2.3 4.3 48 27 A 5 ARG HBy A 6 CYS HBy 1.0 2.3 4.3 49 27 A 5 ARG HBx A 6 CYS HBx 1.0 2.3 4.3 50 28 A 57 ILE HD1% A 5 ARG H 1.0 2.8 5.3 51 29 A 6 CYS HA A 6 CYS HBx 1.0 2.2 4.1 52 29 A 6 CYS HBy A 6 CYS HA 1.0 2.2 4.1 53 30 A 6 CYS HA A 7 LYS H 1.0 2.6 4.8 54 31 A 6 CYS HA A 9 ALA HB% 1.0 2.8 5.3 55 32 A 7 LYS H A 6 CYS HBx 1.0 2.6 4.9 56 32 A 6 CYS HBy A 7 LYS H 1.0 2.6 4.9 57 33 A 6 CYS HBy A 10 ARG HGx 1.0 3.0 5.6 58 33 A 6 CYS HBx A 10 ARG HGx 1.0 3.0 5.6 59 33 A 10 ARG HGy A 6 CYS HBx 1.0 3.0 5.6 60 33 A 6 CYS HBy A 10 ARG HGy 1.0 3.0 5.6 61 34 A 7 LYS HA A 7 LYS HBx 1.0 2.2 4.2 62 34 A 7 LYS HA A 7 LYS HBy 1.0 2.2 4.2 63 35 A 7 LYS H A 7 LYS HA 1.0 2.8 5.2 64 36 A 8 LEU H A 7 LYS HA 1.0 2.7 5.0 65 37 A 7 LYS HGy A 7 LYS HBx 1.0 2.2 4.1 66 37 A 7 LYS HGx A 7 LYS HBx 1.0 2.2 4.1 67 37 A 7 LYS HBy A 7 LYS HGy 1.0 2.2 4.1 68 37 A 7 LYS HBy A 7 LYS HGx 1.0 2.2 4.1 69 38 A 7 LYS HBx A 7 LYS HEx 1.0 2.8 5.2 70 38 A 7 LYS HBy A 7 LYS HEx 1.0 2.8 5.2 71 38 A 7 LYS HEy A 7 LYS HBx 1.0 2.8 5.2 72 38 A 7 LYS HBy A 7 LYS HEy 1.0 2.8 5.2 73 39 A 7 LYS HDy A 7 LYS HEx 1.0 2.2 4.2 74 39 A 7 LYS HDx A 7 LYS HEx 1.0 2.2 4.2 75 39 A 7 LYS HEy A 7 LYS HDx 1.0 2.2 4.2 76 39 A 7 LYS HDy A 7 LYS HEy 1.0 2.2 4.2 77 40 A 8 LEU HDy% A 9 ALA HB% 1.0 2.6 4.9 78 40 A 8 LEU HDx% A 9 ALA HB% 1.0 2.6 4.9 79 41 A 8 LEU HDy% A 11 TYR HBy 1.0 3.3 6.2 80 41 A 8 LEU HDy% A 11 TYR HBx 1.0 3.3 6.2 81 41 A 8 LEU HDx% A 11 TYR HBy 1.0 3.3 6.2 82 41 A 8 LEU HDx% A 11 TYR HBx 1.0 3.3 6.2 83 42 A 8 LEU HDy% A 11 TYR HD% 1.0 3.1 5.9 84 42 A 8 LEU HDx% A 11 TYR HD% 1.0 3.1 5.9 85 43 A 8 LEU HDy% A 56 MET HE% 1.0 2.4 4.5 86 43 A 8 LEU HDx% A 56 MET HE% 1.0 2.4 4.5 87 44 A 8 LEU HDy% A 57 ILE HA 1.0 3.4 6.3 88 44 A 8 LEU HDx% A 57 ILE HA 1.0 3.4 6.3 89 45 A 8 LEU HDy% A 66 TRP HE3 1.0 3.2 6.0 90 45 A 8 LEU HDx% A 66 TRP HE3 1.0 3.2 6.0 91 46 A 8 LEU HDy% A 66 TRP HZ3 1.0 3.4 6.3 92 46 A 8 LEU HDx% A 66 TRP HZ3 1.0 3.4 6.3 93 47 A 8 LEU HDy% A 69 ALA HB% 1.0 2.3 4.3 94 47 A 8 LEU HDx% A 69 ALA HB% 1.0 2.3 4.3 95 48 A 8 LEU HDy% A 11 TYR HBy 1.0 3.5 6.4 96 48 A 8 LEU HDy% A 11 TYR HBx 1.0 3.5 6.4 97 48 A 8 LEU HDx% A 11 TYR HBy 1.0 3.5 6.4 98 48 A 8 LEU HDx% A 11 TYR HBx 1.0 3.5 6.4 99 49 A 8 LEU HDy% A 11 TYR HE% 1.0 3.4 6.3 100 49 A 8 LEU HDx% A 11 TYR HE% 1.0 3.4 6.3 101 50 A 8 LEU HDy% A 56 MET HBy 1.0 2.5 4.6 102 50 A 8 LEU HDy% A 56 MET HBx 1.0 2.5 4.6 103 50 A 8 LEU HDx% A 56 MET HBy 1.0 2.5 4.6 104 50 A 8 LEU HDx% A 56 MET HBx 1.0 2.5 4.6 105 51 A 8 LEU HDy% A 65 ALA HB% 1.0 2.2 4.0 106 51 A 8 LEU HDx% A 65 ALA HB% 1.0 2.2 4.0 107 52 A 8 LEU HDy% A 8 LEU HA 1.0 2.5 4.8 108 52 A 8 LEU HDx% A 8 LEU HA 1.0 2.5 4.8 109 53 A 8 LEU H A 8 LEU HA 1.0 3.2 5.9 110 54 A 11 TYR HE% A 8 LEU HG 1.0 3.4 6.3 111 55 A 9 ALA HB% A 9 ALA HA 1.0 2.1 3.9 112 56 A 9 ALA HA A 9 ALA H 1.0 2.9 5.3 113 57 A 9 ALA HA A 12 LEU HBy 1.0 2.8 5.2 114 57 A 9 ALA HA A 12 LEU HBx 1.0 2.8 5.2 115 58 A 9 ALA HA A 12 LEU HBy 1.0 3.2 6.0 116 58 A 9 ALA HA A 12 LEU HBx 1.0 3.2 6.0 117 59 A 9 ALA HA A 12 LEU HDy% 1.0 3.0 5.6 118 59 A 9 ALA HA A 12 LEU HDx% 1.0 3.0 5.6 119 60 A 9 ALA HA A 12 LEU H 1.0 3.1 5.7 120 61 A 9 ALA HB% A 10 ARG H 1.0 2.2 4.0 121 62 A 9 ALA HB% A 12 LEU HBy 1.0 3.3 6.2 122 62 A 9 ALA HB% A 12 LEU HBx 1.0 3.3 6.2 123 63 A 9 ALA HB% A 13 GLU HGy 1.0 2.3 4.3 124 63 A 9 ALA HB% A 13 GLU HGx 1.0 2.3 4.3 125 64 A 9 ALA HB% A 49 HIS HBy 1.0 2.9 5.3 126 64 A 9 ALA HB% A 49 HIS HBx 1.0 2.9 5.3 127 65 A 50 VAL HGy% A 9 ALA HB% 1.0 2.1 3.9 128 65 A 50 VAL HGx% A 9 ALA HB% 1.0 2.1 3.9 129 66 A 50 VAL HGy% A 9 ALA HB% 1.0 2.2 4.1 130 66 A 50 VAL HGx% A 9 ALA HB% 1.0 2.2 4.1 131 67 A 9 ALA HB% A 50 VAL HA 1.0 2.0 3.8 132 68 A 9 ALA H A 12 LEU HDy% 1.0 3.2 5.9 133 68 A 9 ALA H A 12 LEU HDx% 1.0 3.2 5.9 134 69 A 10 ARG HA A 10 ARG HBx 1.0 2.1 3.9 135 69 A 10 ARG HA A 10 ARG HBy 1.0 2.1 3.9 136 70 A 10 ARG HA A 10 ARG HDx 1.0 2.6 4.9 137 70 A 10 ARG HA A 10 ARG HDy 1.0 2.6 4.9 138 71 A 10 ARG HA A 10 ARG HGx 1.0 2.4 4.5 139 71 A 10 ARG HGy A 10 ARG HA 1.0 2.4 4.5 140 72 A 10 ARG H A 10 ARG HA 1.0 2.5 4.8 141 73 A 11 TYR HD% A 10 ARG HA 1.0 3.0 5.6 142 74 A 10 ARG HBy A 10 ARG HDx 1.0 2.1 3.9 143 74 A 10 ARG HBx A 10 ARG HDx 1.0 2.1 3.9 144 74 A 10 ARG HDy A 10 ARG HBx 1.0 2.1 3.9 145 74 A 10 ARG HBy A 10 ARG HDy 1.0 2.1 3.9 146 75 A 10 ARG HDx A 10 ARG HGx 1.0 2.2 4.0 147 75 A 10 ARG HDy A 10 ARG HGx 1.0 2.2 4.0 148 75 A 10 ARG HGy A 10 ARG HDx 1.0 2.2 4.0 149 75 A 10 ARG HGy A 10 ARG HDy 1.0 2.2 4.0 150 76 A 10 ARG H A 10 ARG HGx 1.0 2.6 4.9 151 76 A 10 ARG HGy A 10 ARG H 1.0 2.6 4.9 152 77 A 13 GLU H A 11 TYR HBy 1.0 2.8 5.2 153 77 A 13 GLU H A 11 TYR HBx 1.0 2.8 5.2 154 78 A 69 ALA HB% A 11 TYR HBy 1.0 3.0 5.6 155 78 A 69 ALA HB% A 11 TYR HBx 1.0 3.0 5.6 156 79 A 73 PHE HZ A 11 TYR HBx 1.0 2.9 5.5 157 79 A 73 PHE HZ A 11 TYR HBy 1.0 2.9 5.5 158 80 A 81 LEU HDy% A 11 TYR HBx 1.0 2.4 4.5 159 80 A 81 LEU HDx% A 11 TYR HBy 1.0 2.4 4.5 160 80 A 81 LEU HDy% A 11 TYR HBy 1.0 2.4 4.5 161 80 A 81 LEU HDx% A 11 TYR HBx 1.0 2.4 4.5 162 81 A 13 GLU H A 11 TYR HBy 1.0 3.2 6.0 163 81 A 13 GLU H A 11 TYR HBx 1.0 3.2 6.0 164 82 A 69 ALA HB% A 11 TYR HBy 1.0 2.9 5.4 165 82 A 69 ALA HB% A 11 TYR HBx 1.0 2.9 5.4 166 83 A 73 PHE HZ A 11 TYR HBx 1.0 3.0 5.6 167 83 A 73 PHE HZ A 11 TYR HBy 1.0 3.0 5.6 168 84 A 81 LEU HDy% A 11 TYR HBx 1.0 2.2 4.2 169 84 A 81 LEU HDx% A 11 TYR HBy 1.0 2.2 4.2 170 84 A 81 LEU HDy% A 11 TYR HBy 1.0 2.2 4.2 171 84 A 81 LEU HDx% A 11 TYR HBx 1.0 2.2 4.2 172 85 A 11 TYR HD% A 11 TYR HA 1.0 2.7 5.0 173 86 A 11 TYR HE% A 11 TYR HA 1.0 3.1 5.7 174 87 A 11 TYR HA A 14 ASP H 1.0 3.0 5.6 175 88 A 81 LEU HDy% A 11 TYR HA 1.0 2.8 5.2 176 88 A 81 LEU HDx% A 11 TYR HA 1.0 2.8 5.2 177 89 A 81 LEU HDy% A 11 TYR HA 1.0 3.3 6.2 178 89 A 81 LEU HDx% A 11 TYR HA 1.0 3.3 6.2 179 90 A 11 TYR HD% A 11 TYR HE% 1.0 2.3 4.2 180 91 A 11 TYR HD% A 81 LEU HDy% 1.0 2.6 4.8 181 91 A 11 TYR HD% A 81 LEU HDx% 1.0 2.6 4.8 182 92 A 11 TYR HD% A 81 LEU HDy% 1.0 3.1 5.7 183 92 A 11 TYR HD% A 81 LEU HDx% 1.0 3.1 5.7 184 93 A 11 TYR HE% A 81 LEU HA 1.0 3.1 5.9 185 94 A 11 TYR HE% A 84 LYS HBy 1.0 3.1 5.7 186 94 A 11 TYR HE% A 84 LYS HBx 1.0 3.1 5.7 187 95 A 11 TYR HE% A 84 LYS HBy 1.0 2.5 4.8 188 95 A 11 TYR HE% A 84 LYS HBx 1.0 2.5 4.8 189 96 A 11 TYR HE% A 85 ALA HA 1.0 3.1 5.7 190 97 A 11 TYR HE% A 85 ALA HB% 1.0 3.2 6.0 191 98 A 11 TYR HE% A 88 ASP HBy 1.0 3.1 5.7 192 98 A 11 TYR HE% A 88 ASP HBx 1.0 3.1 5.7 193 99 A 11 TYR HE% A 88 ASP HBy 1.0 3.3 6.2 194 99 A 11 TYR HE% A 88 ASP HBx 1.0 3.3 6.2 195 100 A 12 LEU HBy A 12 LEU HG 1.0 2.7 5.0 196 100 A 12 LEU HBx A 12 LEU HG 1.0 2.7 5.0 197 101 A 12 LEU HBy A 12 LEU HG 1.0 2.8 5.3 198 101 A 12 LEU HBx A 12 LEU HG 1.0 2.8 5.3 199 102 A 12 LEU HBy A 52 LEU HDy% 1.0 2.9 5.4 200 102 A 12 LEU HBy A 52 LEU HDx% 1.0 2.9 5.4 201 102 A 12 LEU HBx A 52 LEU HDy% 1.0 2.9 5.4 202 102 A 12 LEU HBx A 52 LEU HDx% 1.0 2.9 5.4 203 103 A 12 LEU HDy% A 23 PHE HD% 1.0 3.0 5.6 204 103 A 12 LEU HDx% A 23 PHE HD% 1.0 3.0 5.6 205 104 A 12 LEU HDy% A 49 HIS HBy 1.0 2.8 5.3 206 104 A 12 LEU HDy% A 49 HIS HBx 1.0 2.8 5.3 207 104 A 12 LEU HDx% A 49 HIS HBy 1.0 2.8 5.3 208 104 A 12 LEU HDx% A 49 HIS HBx 1.0 2.8 5.3 209 105 A 12 LEU HDy% A 49 HIS HBy 1.0 2.7 5.0 210 105 A 12 LEU HDy% A 49 HIS HBx 1.0 2.7 5.0 211 105 A 12 LEU HDx% A 49 HIS HBy 1.0 2.7 5.0 212 105 A 12 LEU HDx% A 49 HIS HBx 1.0 2.7 5.0 213 106 A 12 LEU HDy% A 52 LEU H 1.0 2.9 5.3 214 106 A 12 LEU HDx% A 52 LEU H 1.0 2.9 5.3 215 107 A 12 LEU HDy% A 53 ALA HA 1.0 2.6 4.8 216 107 A 12 LEU HDx% A 53 ALA HA 1.0 2.6 4.8 217 108 A 12 LEU HDy% A 53 ALA HB% 1.0 1.9 3.5 218 108 A 12 LEU HDx% A 53 ALA HB% 1.0 1.9 3.5 219 109 A 12 LEU HDy% A 53 ALA H 1.0 2.6 4.9 220 109 A 12 LEU HDx% A 53 ALA H 1.0 2.6 4.9 221 110 A 12 LEU HDy% A 73 PHE HD% 1.0 2.8 5.3 222 110 A 12 LEU HDx% A 73 PHE HD% 1.0 2.8 5.3 223 111 A 12 LEU HDy% A 12 LEU H 1.0 3.0 5.6 224 111 A 12 LEU HDx% A 12 LEU H 1.0 3.0 5.6 225 112 A 12 LEU HDy% A 14 ASP H 1.0 3.3 6.2 226 112 A 12 LEU HDx% A 14 ASP H 1.0 3.3 6.2 227 113 A 12 LEU HDy% A 15 LEU HDy% 1.0 2.5 4.8 228 113 A 12 LEU HDy% A 15 LEU HDx% 1.0 2.5 4.8 229 113 A 12 LEU HDx% A 15 LEU HDy% 1.0 2.5 4.8 230 113 A 12 LEU HDx% A 15 LEU HDx% 1.0 2.5 4.8 231 114 A 12 LEU HDy% A 23 PHE HE% 1.0 2.6 4.9 232 114 A 12 LEU HDx% A 23 PHE HE% 1.0 2.6 4.9 233 115 A 12 LEU HDy% A 23 PHE HZ 1.0 2.7 5.0 234 115 A 12 LEU HDx% A 23 PHE HZ 1.0 2.7 5.0 235 116 A 12 LEU HDy% A 52 LEU HBy 1.0 2.7 5.0 236 116 A 12 LEU HDy% A 52 LEU HBx 1.0 2.7 5.0 237 116 A 12 LEU HDx% A 52 LEU HBy 1.0 2.7 5.0 238 116 A 12 LEU HDx% A 52 LEU HBx 1.0 2.7 5.0 239 117 A 12 LEU HDy% A 12 LEU HA 1.0 2.7 5.0 240 117 A 12 LEU HDx% A 12 LEU HA 1.0 2.7 5.0 241 118 A 12 LEU HDy% A 12 LEU HA 1.0 2.6 4.8 242 118 A 12 LEU HDx% A 12 LEU HA 1.0 2.6 4.8 243 119 A 12 LEU HG A 12 LEU HA 1.0 3.3 6.1 244 120 A 12 LEU H A 12 LEU HA 1.0 3.0 5.6 245 121 A 12 LEU HA A 15 LEU HBy 1.0 2.9 5.5 246 121 A 12 LEU HA A 15 LEU HBx 1.0 2.9 5.5 247 122 A 15 LEU HDy% A 12 LEU HA 1.0 2.9 5.4 248 122 A 15 LEU HDx% A 12 LEU HA 1.0 2.9 5.4 249 123 A 15 LEU HDy% A 12 LEU HA 1.0 3.0 5.6 250 123 A 15 LEU HDx% A 12 LEU HA 1.0 3.0 5.6 251 124 A 14 ASP H A 12 LEU HG 1.0 3.2 6.0 252 125 A 13 GLU HGy A 13 GLU H 1.0 2.9 5.5 253 125 A 13 GLU HGx A 13 GLU H 1.0 2.9 5.5 254 126 A 13 GLU HA A 13 GLU HBx 1.0 2.5 4.6 255 126 A 13 GLU HA A 13 GLU HBy 1.0 2.5 4.6 256 127 A 14 ASP H A 13 GLU HA 1.0 3.1 5.9 257 128 A 13 GLU H A 13 GLU HBx 1.0 2.5 4.8 258 128 A 13 GLU H A 13 GLU HBy 1.0 2.5 4.8 259 129 A 14 ASP H A 13 GLU HBx 1.0 2.8 5.2 260 129 A 14 ASP H A 13 GLU HBy 1.0 2.8 5.2 261 130 A 15 LEU HDy% A 19 ASP HBx 1.0 2.2 4.1 262 130 A 15 LEU HDy% A 19 ASP HBy 1.0 2.2 4.1 263 130 A 15 LEU HDx% A 19 ASP HBy 1.0 2.2 4.1 264 130 A 15 LEU HDx% A 19 ASP HBx 1.0 2.2 4.1 265 131 A 15 LEU HDy% A 23 PHE HE% 1.0 2.4 4.5 266 131 A 15 LEU HDx% A 23 PHE HE% 1.0 2.4 4.5 267 132 A 73 PHE HD% A 15 LEU HDy% 1.0 2.5 4.6 268 132 A 73 PHE HD% A 15 LEU HDx% 1.0 2.5 4.6 269 133 A 81 LEU HDy% A 15 LEU HDy% 1.0 2.2 4.2 270 133 A 81 LEU HDx% A 15 LEU HDy% 1.0 2.2 4.2 271 133 A 81 LEU HDy% A 15 LEU HDx% 1.0 2.2 4.2 272 133 A 81 LEU HDx% A 15 LEU HDx% 1.0 2.2 4.2 273 134 A 15 LEU HDy% A 19 ASP HBx 1.0 3.3 6.1 274 134 A 15 LEU HDy% A 19 ASP HBy 1.0 3.3 6.1 275 134 A 15 LEU HDx% A 19 ASP HBy 1.0 3.3 6.1 276 134 A 15 LEU HDx% A 19 ASP HBx 1.0 3.3 6.1 277 135 A 15 LEU HDy% A 20 LEU HA 1.0 2.7 5.0 278 135 A 15 LEU HDx% A 20 LEU HA 1.0 2.7 5.0 279 136 A 15 LEU HDy% A 23 PHE HBx 1.0 3.2 6.0 280 136 A 15 LEU HDy% A 23 PHE HBy 1.0 3.2 6.0 281 136 A 15 LEU HDx% A 23 PHE HBy 1.0 3.2 6.0 282 136 A 15 LEU HDx% A 23 PHE HBx 1.0 3.2 6.0 283 137 A 23 PHE HD% A 15 LEU HDy% 1.0 2.8 5.2 284 137 A 23 PHE HD% A 15 LEU HDx% 1.0 2.8 5.2 285 138 A 73 PHE HD% A 15 LEU HDy% 1.0 3.0 5.6 286 138 A 73 PHE HD% A 15 LEU HDx% 1.0 3.0 5.6 287 139 A 81 LEU HDy% A 15 LEU HDy% 1.0 2.1 3.9 288 139 A 81 LEU HDx% A 15 LEU HDy% 1.0 2.1 3.9 289 139 A 81 LEU HDy% A 15 LEU HDx% 1.0 2.1 3.9 290 139 A 81 LEU HDx% A 15 LEU HDx% 1.0 2.1 3.9 291 140 A 15 LEU HDy% A 15 LEU HA 1.0 2.2 4.0 292 140 A 15 LEU HDx% A 15 LEU HA 1.0 2.2 4.0 293 141 A 16 GLU HBx A 16 GLU HGx 1.0 2.1 3.9 294 141 A 16 GLU HBy A 16 GLU HGx 1.0 2.1 3.9 295 141 A 16 GLU HGy A 16 GLU HBy 1.0 2.1 3.9 296 141 A 16 GLU HBx A 16 GLU HGy 1.0 2.1 3.9 297 142 A 17 ASP HA A 17 ASP HBx 1.0 2.2 4.2 298 142 A 17 ASP HA A 17 ASP HBy 1.0 2.2 4.2 299 143 A 17 ASP HA A 18 VAL H 1.0 2.9 5.5 300 144 A 17 ASP HA A 20 LEU HBy 1.0 2.5 4.8 301 144 A 17 ASP HA A 20 LEU HBx 1.0 2.5 4.8 302 145 A 18 VAL H A 18 VAL HGy% 1.0 2.2 4.0 303 145 A 18 VAL H A 18 VAL HGx% 1.0 2.2 4.0 304 146 A 18 VAL HGy% A 21 LYS HBx 1.0 2.4 4.5 305 146 A 18 VAL HGx% A 21 LYS HBx 1.0 2.4 4.5 306 146 A 18 VAL HGy% A 21 LYS HBy 1.0 2.4 4.5 307 146 A 18 VAL HGx% A 21 LYS HBy 1.0 2.4 4.5 308 147 A 18 VAL HGx% A 21 LYS HEx 1.0 2.5 4.6 309 147 A 18 VAL HGy% A 21 LYS HEx 1.0 2.5 4.6 310 147 A 18 VAL HGy% A 21 LYS HEy 1.0 2.5 4.6 311 147 A 18 VAL HGx% A 21 LYS HEy 1.0 2.5 4.6 312 148 A 18 VAL HGy% A 21 LYS HGx 1.0 2.5 4.6 313 148 A 18 VAL HGx% A 21 LYS HGx 1.0 2.5 4.6 314 148 A 18 VAL HGy% A 21 LYS HGy 1.0 2.5 4.6 315 148 A 18 VAL HGx% A 21 LYS HGy 1.0 2.5 4.6 316 149 A 18 VAL HGx% A 22 LYS HDx 1.0 2.5 4.6 317 149 A 18 VAL HGy% A 22 LYS HDx 1.0 2.5 4.6 318 149 A 18 VAL HGy% A 22 LYS HDy 1.0 2.5 4.6 319 149 A 18 VAL HGx% A 22 LYS HDy 1.0 2.5 4.6 320 150 A 18 VAL HGy% A 18 VAL HA 1.0 2.1 3.9 321 150 A 18 VAL HGx% A 18 VAL HA 1.0 2.1 3.9 322 151 A 18 VAL HGy% A 18 VAL HA 1.0 2.3 4.4 323 151 A 18 VAL HGx% A 18 VAL HA 1.0 2.3 4.4 324 152 A 18 VAL HA A 18 VAL HB 1.0 2.4 4.5 325 153 A 18 VAL HA A 21 LYS HBx 1.0 2.5 4.8 326 153 A 21 LYS HBy A 18 VAL HA 1.0 2.5 4.8 327 154 A 18 VAL HA A 21 LYS HGx 1.0 2.9 5.3 328 154 A 21 LYS HGy A 18 VAL HA 1.0 2.9 5.3 329 155 A 18 VAL HGy% A 18 VAL HB 1.0 2.0 3.6 330 155 A 18 VAL HGx% A 18 VAL HB 1.0 2.0 3.6 331 156 A 18 VAL HGy% A 18 VAL HB 1.0 2.2 4.0 332 156 A 18 VAL HGx% A 18 VAL HB 1.0 2.2 4.0 333 157 A 18 VAL HB A 19 ASP H 1.0 3.1 5.7 334 158 A 19 ASP HBy A 76 ILE HD1% 1.0 2.5 4.6 335 158 A 19 ASP HBx A 76 ILE HD1% 1.0 2.5 4.6 336 159 A 19 ASP HA A 22 LYS HBx 1.0 3.1 5.8 337 160 A 76 ILE HD1% A 19 ASP HA 1.0 2.8 5.3 338 161 A 23 PHE HBx A 20 LEU HDy% 1.0 3.1 5.7 339 161 A 23 PHE HBy A 20 LEU HDy% 1.0 3.1 5.7 340 161 A 23 PHE HBy A 20 LEU HDx% 1.0 3.1 5.7 341 161 A 23 PHE HBx A 20 LEU HDx% 1.0 3.1 5.7 342 162 A 20 LEU HA A 20 LEU HDy% 1.0 2.0 3.6 343 162 A 20 LEU HA A 20 LEU HDx% 1.0 2.0 3.6 344 163 A 20 LEU HA A 23 PHE HBy 1.0 3.1 5.7 345 163 A 20 LEU HA A 23 PHE HBx 1.0 3.1 5.7 346 164 A 20 LEU HA A 23 PHE HBy 1.0 2.9 5.5 347 164 A 20 LEU HA A 23 PHE HBx 1.0 2.9 5.5 348 165 A 23 PHE HD% A 20 LEU HA 1.0 2.9 5.5 349 166 A 21 LYS HA A 21 LYS HBx 1.0 2.2 4.1 350 166 A 21 LYS HBy A 21 LYS HA 1.0 2.2 4.1 351 167 A 21 LYS HA A 23 PHE H 1.0 3.1 5.7 352 168 A 21 LYS HA A 24 LYS HBy 1.0 2.2 4.2 353 168 A 21 LYS HA A 24 LYS HBx 1.0 2.2 4.2 354 169 A 21 LYS HA A 24 LYS H 1.0 3.2 5.9 355 170 A 21 LYS H A 21 LYS HBx 1.0 2.3 4.2 356 170 A 21 LYS HBy A 21 LYS H 1.0 2.3 4.2 357 171 A 22 LYS H A 21 LYS HBx 1.0 2.5 4.8 358 171 A 21 LYS HBy A 22 LYS H 1.0 2.5 4.8 359 172 A 22 LYS HBx A 22 LYS HA 1.0 2.3 4.4 360 173 A 22 LYS HA A 22 LYS HBy 1.0 2.4 4.5 361 174 A 22 LYS H A 22 LYS HA 1.0 3.0 5.6 362 175 A 22 LYS HBx A 22 LYS H 1.0 3.2 5.9 363 176 A 22 LYS HBx A 76 ILE HG2% 1.0 2.5 4.8 364 177 A 23 PHE HBy A 72 ILE HG2% 1.0 3.2 6.0 365 177 A 23 PHE HBx A 72 ILE HG2% 1.0 3.2 6.0 366 178 A 23 PHE HBy A 76 ILE HG2% 1.0 3.5 6.6 367 178 A 23 PHE HBx A 76 ILE HG2% 1.0 3.5 6.6 368 179 A 52 LEU HDy% A 23 PHE HBy 1.0 3.1 5.7 369 179 A 52 LEU HDx% A 23 PHE HBy 1.0 3.1 5.7 370 179 A 52 LEU HDy% A 23 PHE HBx 1.0 3.1 5.7 371 179 A 52 LEU HDx% A 23 PHE HBx 1.0 3.1 5.7 372 180 A 23 PHE HBy A 76 ILE HD1% 1.0 2.6 4.9 373 180 A 23 PHE HBx A 76 ILE HD1% 1.0 2.6 4.9 374 181 A 23 PHE HBy A 76 ILE HG2% 1.0 3.1 5.7 375 181 A 23 PHE HBx A 76 ILE HG2% 1.0 3.1 5.7 376 182 A 23 PHE HD% A 23 PHE HA 1.0 3.1 5.7 377 183 A 23 PHE HA A 25 MET H 1.0 3.1 5.9 378 184 A 72 ILE HG2% A 23 PHE HA 1.0 2.5 4.8 379 185 A 76 ILE HD1% A 23 PHE HA 1.0 2.8 5.3 380 186 A 76 ILE HG2% A 23 PHE HA 1.0 2.5 4.8 381 187 A 23 PHE HD% A 69 ALA HA 1.0 3.2 6.0 382 188 A 23 PHE HD% A 72 ILE HG2% 1.0 2.8 5.2 383 189 A 23 PHE HD% A 72 ILE HG2% 1.0 2.8 5.3 384 190 A 23 PHE HD% A 76 ILE HD1% 1.0 2.5 4.6 385 191 A 52 LEU HDy% A 23 PHE HE% 1.0 3.1 5.9 386 191 A 52 LEU HDx% A 23 PHE HE% 1.0 3.1 5.9 387 192 A 69 ALA HB% A 23 PHE HE% 1.0 2.6 4.9 388 193 A 76 ILE HD1% A 23 PHE H 1.0 3.1 5.7 389 194 A 56 MET HE% A 23 PHE HZ 1.0 2.3 4.2 390 195 A 23 PHE HZ A 69 ALA HA 1.0 2.7 5.1 391 196 A 69 ALA HB% A 23 PHE HZ 1.0 2.6 4.9 392 197 A 24 LYS HBy A 44 THR HG2% 1.0 2.3 4.3 393 197 A 24 LYS HBx A 44 THR HG2% 1.0 2.3 4.3 394 198 A 24 LYS HBy A 44 THR HG2% 1.0 2.8 5.2 395 198 A 24 LYS HBx A 44 THR HG2% 1.0 2.8 5.2 396 199 A 24 LYS HA A 27 LEU HG 1.0 3.1 5.7 397 200 A 25 MET HA A 25 MET HBy 1.0 2.2 4.1 398 200 A 25 MET HA A 25 MET HBx 1.0 2.2 4.1 399 201 A 25 MET H A 25 MET HA 1.0 2.6 4.9 400 202 A 72 ILE HG1x A 26 HIS HBx 1.0 3.2 6.0 401 202 A 72 ILE HG1x A 26 HIS HBy 1.0 3.2 6.0 402 202 A 72 ILE HG1y A 26 HIS HBy 1.0 3.2 6.0 403 202 A 72 ILE HG1y A 26 HIS HBx 1.0 3.2 6.0 404 203 A 72 ILE HD1% A 26 HIS HBy 1.0 3.3 6.2 405 203 A 72 ILE HD1% A 26 HIS HBx 1.0 3.3 6.2 406 204 A 72 ILE HG2% A 26 HIS HBy 1.0 3.3 6.1 407 204 A 72 ILE HG2% A 26 HIS HBx 1.0 3.3 6.1 408 205 A 76 ILE HG2% A 26 HIS HBy 1.0 3.0 5.6 409 205 A 76 ILE HG2% A 26 HIS HBx 1.0 3.0 5.6 410 206 A 72 ILE HD1% A 26 HIS HBy 1.0 2.9 5.5 411 206 A 72 ILE HD1% A 26 HIS HBx 1.0 2.9 5.5 412 207 A 72 ILE HG2% A 26 HIS HBy 1.0 3.3 6.2 413 207 A 72 ILE HG2% A 26 HIS HBx 1.0 3.3 6.2 414 208 A 26 HIS HA A 26 HIS HBy 1.0 2.6 4.9 415 208 A 26 HIS HA A 26 HIS HBx 1.0 2.6 4.9 416 209 A 26 HIS HA A 26 HIS HBy 1.0 2.6 4.9 417 209 A 26 HIS HA A 26 HIS HBx 1.0 2.6 4.9 418 210 A 26 HIS HD2 A 75 ALA HB% 1.0 2.9 5.5 419 211 A 76 ILE HG2% A 26 HIS HD2 1.0 2.6 4.8 420 212 A 39 LEU HDx% A 27 LEU HBy 1.0 2.8 5.2 421 212 A 39 LEU HDy% A 27 LEU HBy 1.0 2.8 5.2 422 212 A 27 LEU HBx A 39 LEU HDy% 1.0 2.8 5.2 423 212 A 27 LEU HBx A 39 LEU HDx% 1.0 2.8 5.2 424 213 A 44 THR HG2% A 27 LEU HBy 1.0 2.1 3.9 425 213 A 44 THR HG2% A 27 LEU HBx 1.0 2.1 3.9 426 214 A 27 LEU H A 27 LEU HDy% 1.0 3.0 5.6 427 214 A 27 LEU HDx% A 27 LEU H 1.0 3.0 5.6 428 215 A 56 MET HE% A 27 LEU HDy% 1.0 2.0 3.8 429 215 A 56 MET HE% A 27 LEU HDx% 1.0 2.0 3.8 430 216 A 27 LEU HDx% A 56 MET HGx 1.0 2.8 5.2 431 216 A 27 LEU HDy% A 56 MET HGx 1.0 2.8 5.2 432 216 A 27 LEU HDy% A 56 MET HGy 1.0 2.8 5.2 433 216 A 27 LEU HDx% A 56 MET HGy 1.0 2.8 5.2 434 217 A 27 LEU HDy% A 68 MET HBx 1.0 2.0 3.6 435 217 A 27 LEU HDy% A 68 MET HBy 1.0 2.0 3.6 436 217 A 27 LEU HDx% A 68 MET HBy 1.0 2.0 3.6 437 217 A 27 LEU HDx% A 68 MET HBx 1.0 2.0 3.6 438 218 A 27 LEU HDy% A 68 MET HE% 1.0 2.5 4.6 439 218 A 27 LEU HDx% A 68 MET HE% 1.0 2.5 4.6 440 219 A 72 ILE HD1% A 27 LEU HDy% 1.0 2.1 3.9 441 219 A 72 ILE HD1% A 27 LEU HDx% 1.0 2.1 3.9 442 220 A 27 LEU HBy A 27 LEU HA 1.0 2.3 4.2 443 220 A 27 LEU HBx A 27 LEU HA 1.0 2.3 4.2 444 221 A 27 LEU HDy% A 27 LEU HA 1.0 2.3 4.3 445 221 A 27 LEU HDx% A 27 LEU HA 1.0 2.3 4.3 446 222 A 27 LEU H A 27 LEU HA 1.0 3.2 5.9 447 223 A 27 LEU HA A 30 TYR H 1.0 3.1 5.9 448 224 A 72 ILE HD1% A 27 LEU HA 1.0 2.9 5.5 449 225 A 27 LEU HG A 30 TYR HD% 1.0 2.9 5.5 450 226 A 27 LEU HG A 72 ILE HD1% 1.0 2.8 5.3 451 227 A 44 THR HG2% A 27 LEU H 1.0 2.9 5.5 452 228 A 72 ILE HD1% A 27 LEU H 1.0 3.2 5.9 453 229 A 44 THR HG2% A 28 GLU HGy 1.0 2.5 4.6 454 229 A 44 THR HG2% A 28 GLU HGx 1.0 2.5 4.6 455 230 A 28 GLU HA A 28 GLU H 1.0 2.6 4.9 456 231 A 28 GLU HA A 29 ASP H 1.0 2.5 4.8 457 232 A 28 GLU HGy A 28 GLU HBx 1.0 1.9 3.5 458 232 A 28 GLU HGx A 28 GLU HBx 1.0 1.9 3.5 459 232 A 28 GLU HGy A 28 GLU HBy 1.0 1.9 3.5 460 232 A 28 GLU HGx A 28 GLU HBy 1.0 1.9 3.5 461 233 A 38 PRO HA A 30 TYR HBy 1.0 2.8 5.2 462 233 A 30 TYR HBx A 38 PRO HA 1.0 2.8 5.2 463 234 A 30 TYR HBy A 39 LEU H 1.0 3.2 6.0 464 234 A 30 TYR HBx A 39 LEU H 1.0 3.2 6.0 465 235 A 30 TYR HD% A 36 CYS HBy 1.0 3.4 6.5 466 235 A 30 TYR HD% A 36 CYS HBx 1.0 3.4 6.5 467 236 A 68 MET HE% A 30 TYR HD% 1.0 2.6 4.8 468 237 A 72 ILE HD1% A 30 TYR HD% 1.0 2.8 5.2 469 238 A 72 ILE HG1y A 30 TYR HE% 1.0 3.2 6.0 470 238 A 72 ILE HG1x A 30 TYR HE% 1.0 3.2 6.0 471 239 A 72 ILE HG1y A 30 TYR HE% 1.0 3.4 6.4 472 239 A 72 ILE HG1x A 30 TYR HE% 1.0 3.4 6.4 473 240 A 72 ILE HD1% A 30 TYR HE% 1.0 3.1 5.9 474 241 A 31 PRO HA A 32 PRO HDy 1.0 1.8 5.3 475 241 A 31 PRO HA A 32 PRO HDx 1.0 1.8 5.3 476 242 A 31 PRO HA A 32 PRO HDy 1.0 2.0 5.6 477 242 A 31 PRO HA A 32 PRO HDx 1.0 2.0 5.6 478 243 A 32 PRO HDx A 32 PRO HGx 1.0 1.8 3.4 479 243 A 32 PRO HDy A 32 PRO HGx 1.0 1.8 3.4 480 243 A 32 PRO HDy A 32 PRO HGy 1.0 1.8 3.4 481 243 A 32 PRO HDx A 32 PRO HGy 1.0 1.8 3.4 482 244 A 32 PRO HDx A 32 PRO HGx 1.0 2.0 3.8 483 244 A 32 PRO HDy A 32 PRO HGx 1.0 2.0 3.8 484 244 A 32 PRO HDy A 32 PRO HGy 1.0 2.0 3.8 485 244 A 32 PRO HDx A 32 PRO HGy 1.0 2.0 3.8 486 245 A 32 PRO HA A 32 PRO HGx 1.0 2.4 4.5 487 245 A 32 PRO HGy A 32 PRO HA 1.0 2.4 4.5 488 246 A 33 GLN H A 32 PRO HGx 1.0 3.3 6.1 489 246 A 32 PRO HGy A 33 GLN H 1.0 3.3 6.1 490 247 A 33 GLN H A 33 GLN HBx 1.0 2.6 4.8 491 247 A 33 GLN H A 33 GLN HBy 1.0 2.6 4.8 492 248 A 34 LYS HA A 34 LYS H 1.0 2.3 4.3 493 249 A 37 ILE HA A 37 ILE HD1% 1.0 3.2 5.9 494 250 A 37 ILE HA A 37 ILE HG2% 1.0 2.5 4.6 495 251 A 37 ILE HA A 38 PRO HDy 1.0 2.2 4.1 496 251 A 37 ILE HA A 38 PRO HDx 1.0 2.2 4.1 497 252 A 37 ILE HA A 38 PRO HDy 1.0 2.2 4.1 498 252 A 37 ILE HA A 38 PRO HDx 1.0 2.2 4.1 499 253 A 38 PRO HDy A 37 ILE HB 1.0 3.5 6.4 500 253 A 38 PRO HDx A 37 ILE HB 1.0 3.5 6.4 501 254 A 38 PRO HDy A 37 ILE HB 1.0 2.9 5.5 502 254 A 38 PRO HDx A 37 ILE HB 1.0 2.9 5.5 503 255 A 37 ILE HD1% A 37 ILE HG1y 1.0 2.0 3.8 504 255 A 37 ILE HD1% A 37 ILE HG1x 1.0 2.0 3.8 505 256 A 37 ILE HD1% A 37 ILE HG1y 1.0 2.3 4.3 506 256 A 37 ILE HD1% A 37 ILE HG1x 1.0 2.3 4.3 507 257 A 37 ILE HD1% A 38 PRO HDy 1.0 3.2 6.0 508 257 A 37 ILE HD1% A 38 PRO HDx 1.0 3.2 6.0 509 258 A 37 ILE HD1% A 38 PRO HDy 1.0 3.3 6.2 510 258 A 37 ILE HD1% A 38 PRO HDx 1.0 3.3 6.2 511 259 A 37 ILE HD1% A 59 PHE HBy 1.0 3.3 6.2 512 259 A 37 ILE HD1% A 59 PHE HBx 1.0 3.3 6.2 513 260 A 37 ILE HD1% A 59 PHE HBy 1.0 3.2 5.9 514 260 A 37 ILE HD1% A 59 PHE HBx 1.0 3.2 5.9 515 261 A 37 ILE HD1% A 59 PHE HD% 1.0 3.0 5.6 516 262 A 37 ILE HG2% A 38 PRO HDy 1.0 2.9 5.5 517 262 A 37 ILE HG2% A 38 PRO HDx 1.0 2.9 5.5 518 263 A 37 ILE HG2% A 38 PRO HDy 1.0 2.8 5.2 519 263 A 37 ILE HG2% A 38 PRO HDx 1.0 2.8 5.2 520 264 A 37 ILE HG2% A 59 PHE HD% 1.0 2.7 5.1 521 265 A 38 PRO HDy A 38 PRO HBy 1.0 2.9 5.3 522 265 A 38 PRO HDx A 38 PRO HBy 1.0 2.9 5.3 523 265 A 38 PRO HDy A 38 PRO HBx 1.0 2.9 5.3 524 265 A 38 PRO HDx A 38 PRO HBx 1.0 2.9 5.3 525 266 A 38 PRO HBy A 38 PRO HGx 1.0 1.5 2.8 526 266 A 38 PRO HBx A 38 PRO HGx 1.0 1.5 2.8 527 266 A 38 PRO HBy A 38 PRO HGy 1.0 1.5 2.8 528 266 A 38 PRO HBx A 38 PRO HGy 1.0 1.5 2.8 529 267 A 38 PRO HDy A 38 PRO HBy 1.0 2.7 5.1 530 267 A 38 PRO HDx A 38 PRO HBy 1.0 2.7 5.1 531 267 A 38 PRO HDy A 38 PRO HBx 1.0 2.7 5.1 532 267 A 38 PRO HDx A 38 PRO HBx 1.0 2.7 5.1 533 268 A 38 PRO HDx A 38 PRO HGx 1.0 2.0 3.8 534 268 A 38 PRO HDy A 38 PRO HGx 1.0 2.0 3.8 535 268 A 38 PRO HDy A 38 PRO HGy 1.0 2.0 3.8 536 268 A 38 PRO HDx A 38 PRO HGy 1.0 2.0 3.8 537 269 A 38 PRO HA A 38 PRO HBy 1.0 2.2 4.2 538 269 A 38 PRO HA A 38 PRO HBx 1.0 2.2 4.2 539 270 A 38 PRO HA A 38 PRO HGx 1.0 2.1 3.9 540 270 A 38 PRO HA A 38 PRO HGy 1.0 2.1 3.9 541 271 A 39 LEU H A 38 PRO HGx 1.0 2.6 4.9 542 271 A 39 LEU H A 38 PRO HGy 1.0 2.6 4.9 543 272 A 40 PRO HDx A 39 LEU HBy 1.0 3.3 6.2 544 272 A 40 PRO HDy A 39 LEU HBy 1.0 3.3 6.2 545 272 A 39 LEU HBx A 40 PRO HDy 1.0 3.3 6.2 546 272 A 39 LEU HBx A 40 PRO HDx 1.0 3.3 6.2 547 273 A 40 PRO HDx A 39 LEU HBy 1.0 3.4 6.3 548 273 A 40 PRO HDy A 39 LEU HBy 1.0 3.4 6.3 549 273 A 39 LEU HBx A 40 PRO HDy 1.0 3.4 6.3 550 273 A 39 LEU HBx A 40 PRO HDx 1.0 3.4 6.3 551 274 A 40 PRO HDx A 39 LEU HBy 1.0 3.4 6.3 552 274 A 40 PRO HDy A 39 LEU HBy 1.0 3.4 6.3 553 274 A 39 LEU HBx A 40 PRO HDy 1.0 3.4 6.3 554 274 A 39 LEU HBx A 40 PRO HDx 1.0 3.4 6.3 555 275 A 39 LEU HBy A 43 GLN HBx 1.0 3.2 5.9 556 275 A 39 LEU HBy A 43 GLN HBy 1.0 3.2 5.9 557 275 A 39 LEU HBx A 43 GLN HBy 1.0 3.2 5.9 558 275 A 39 LEU HBx A 43 GLN HBx 1.0 3.2 5.9 559 276 A 39 LEU HDy% A 56 MET HA 1.0 3.0 5.6 560 276 A 39 LEU HDx% A 56 MET HA 1.0 3.0 5.6 561 277 A 39 LEU HDy% A 59 PHE HBx 1.0 2.6 4.9 562 277 A 39 LEU HDy% A 59 PHE HBy 1.0 2.6 4.9 563 277 A 39 LEU HDx% A 59 PHE HBy 1.0 2.6 4.9 564 277 A 39 LEU HDx% A 59 PHE HBx 1.0 2.6 4.9 565 278 A 39 LEU HDy% A 59 PHE HBx 1.0 2.6 4.7 566 278 A 39 LEU HDy% A 59 PHE HBy 1.0 2.6 4.7 567 278 A 39 LEU HDx% A 59 PHE HBy 1.0 2.6 4.7 568 278 A 39 LEU HDx% A 59 PHE HBx 1.0 2.6 4.7 569 279 A 39 LEU HDy% A 55 LEU HBx 1.0 2.8 5.3 570 279 A 39 LEU HDy% A 55 LEU HBy 1.0 2.8 5.3 571 279 A 39 LEU HDx% A 55 LEU HBy 1.0 2.8 5.3 572 279 A 39 LEU HDx% A 55 LEU HBx 1.0 2.8 5.3 573 280 A 39 LEU HDy% A 55 LEU HBx 1.0 2.4 4.5 574 280 A 39 LEU HDy% A 55 LEU HBy 1.0 2.4 4.5 575 280 A 39 LEU HDx% A 55 LEU HBy 1.0 2.4 4.5 576 280 A 39 LEU HDx% A 55 LEU HBx 1.0 2.4 4.5 577 281 A 39 LEU HDy% A 59 PHE HBx 1.0 2.5 4.8 578 281 A 39 LEU HDy% A 59 PHE HBy 1.0 2.5 4.8 579 281 A 39 LEU HDx% A 59 PHE HBy 1.0 2.5 4.8 580 281 A 39 LEU HDx% A 59 PHE HBx 1.0 2.5 4.8 581 282 A 39 LEU HDy% A 60 ASN HD2x 1.0 3.3 6.1 582 282 A 39 LEU HDy% A 60 ASN HD2y 1.0 3.3 6.1 583 282 A 39 LEU HDx% A 60 ASN HD2y 1.0 3.3 6.1 584 282 A 39 LEU HDx% A 60 ASN HD2x 1.0 3.3 6.1 585 283 A 39 LEU HDy% A 68 MET HE% 1.0 2.2 4.1 586 283 A 39 LEU HDx% A 68 MET HE% 1.0 2.2 4.1 587 284 A 40 PRO HDy A 39 LEU HA 1.0 1.7 4.6 588 284 A 40 PRO HDx A 39 LEU HA 1.0 1.7 4.6 589 285 A 40 PRO HDy A 39 LEU HA 1.0 1.8 5.1 590 285 A 40 PRO HDx A 39 LEU HA 1.0 1.8 5.1 591 286 A 59 PHE HBy A 39 LEU HG 1.0 3.0 5.6 592 286 A 59 PHE HBx A 39 LEU HG 1.0 3.0 5.6 593 287 A 40 PRO HDy A 40 PRO HBy 1.0 2.5 4.8 594 287 A 40 PRO HDx A 40 PRO HBy 1.0 2.5 4.8 595 287 A 40 PRO HDy A 40 PRO HBx 1.0 2.5 4.8 596 287 A 40 PRO HDx A 40 PRO HBx 1.0 2.5 4.8 597 288 A 40 PRO HDy A 40 PRO HBy 1.0 2.4 4.5 598 288 A 40 PRO HDx A 40 PRO HBy 1.0 2.4 4.5 599 288 A 40 PRO HDy A 40 PRO HBx 1.0 2.4 4.5 600 288 A 40 PRO HDx A 40 PRO HBx 1.0 2.4 4.5 601 289 A 40 PRO HDy A 40 PRO HGx 1.0 2.2 4.1 602 289 A 40 PRO HDx A 40 PRO HGx 1.0 2.2 4.1 603 289 A 40 PRO HDy A 40 PRO HGy 1.0 2.2 4.1 604 289 A 40 PRO HDx A 40 PRO HGy 1.0 2.2 4.1 605 290 A 40 PRO HDy A 40 PRO HGx 1.0 2.1 3.9 606 290 A 40 PRO HDx A 40 PRO HGx 1.0 2.1 3.9 607 290 A 40 PRO HDy A 40 PRO HGy 1.0 2.1 3.9 608 290 A 40 PRO HDx A 40 PRO HGy 1.0 2.1 3.9 609 291 A 40 PRO HBy A 40 PRO HA 1.0 2.0 3.6 610 291 A 40 PRO HBx A 40 PRO HA 1.0 2.0 3.6 611 292 A 40 PRO HBy A 40 PRO HA 1.0 2.4 4.5 612 292 A 40 PRO HBx A 40 PRO HA 1.0 2.4 4.5 613 293 A 40 PRO HDy A 40 PRO HA 1.0 2.5 4.8 614 293 A 40 PRO HDx A 40 PRO HA 1.0 2.5 4.8 615 294 A 40 PRO HA A 41 ARG H 1.0 1.9 3.5 616 295 A 41 ARG HA A 41 ARG HBx 1.0 2.6 4.7 617 295 A 41 ARG HA A 41 ARG HBy 1.0 2.6 4.7 618 296 A 41 ARG HA A 45 GLU HGy 1.0 3.1 5.9 619 296 A 41 ARG HA A 45 GLU HGx 1.0 3.1 5.9 620 297 A 45 GLU HGy A 41 ARG HDx 1.0 3.4 6.3 621 297 A 41 ARG HDx A 45 GLU HGx 1.0 3.4 6.3 622 297 A 41 ARG HDy A 45 GLU HGx 1.0 3.4 6.3 623 297 A 41 ARG HDy A 45 GLU HGy 1.0 3.4 6.3 624 298 A 45 GLU HGy A 41 ARG HDx 1.0 3.5 6.4 625 298 A 41 ARG HDy A 45 GLU HGx 1.0 3.5 6.4 626 298 A 41 ARG HDx A 45 GLU HGx 1.0 3.5 6.4 627 298 A 41 ARG HDy A 45 GLU HGy 1.0 3.5 6.4 628 299 A 42 GLY H A 42 GLY HAx 1.0 2.6 4.8 629 299 A 42 GLY HAy A 42 GLY H 1.0 2.6 4.8 630 300 A 42 GLY HAx A 43 GLN H 1.0 3.0 5.6 631 300 A 42 GLY HAy A 43 GLN H 1.0 3.0 5.6 632 301 A 42 GLY H A 42 GLY HAx 1.0 2.6 4.9 633 301 A 42 GLY HAy A 42 GLY H 1.0 2.6 4.9 634 302 A 42 GLY HAx A 44 THR H 1.0 3.4 6.3 635 302 A 42 GLY HAy A 44 THR H 1.0 3.4 6.3 636 303 A 43 GLN HBy A 43 GLN HE2y 1.0 3.3 6.1 637 303 A 43 GLN HBy A 43 GLN HE2x 1.0 3.3 6.1 638 303 A 43 GLN HBx A 43 GLN HE2y 1.0 3.3 6.1 639 303 A 43 GLN HBx A 43 GLN HE2x 1.0 3.3 6.1 640 304 A 43 GLN HBy A 43 GLN HE2y 1.0 3.4 6.3 641 304 A 43 GLN HBy A 43 GLN HE2x 1.0 3.4 6.3 642 304 A 43 GLN HBx A 43 GLN HE2y 1.0 3.4 6.3 643 304 A 43 GLN HBx A 43 GLN HE2x 1.0 3.4 6.3 644 305 A 43 GLN HBy A 55 LEU HDx% 1.0 2.5 4.6 645 305 A 43 GLN HBy A 55 LEU HDy% 1.0 2.5 4.6 646 305 A 43 GLN HBx A 55 LEU HDy% 1.0 2.5 4.6 647 305 A 43 GLN HBx A 55 LEU HDx% 1.0 2.5 4.6 648 306 A 43 GLN HBy A 43 GLN HA 1.0 2.5 4.6 649 306 A 43 GLN HBx A 43 GLN HA 1.0 2.5 4.6 650 307 A 43 GLN HBy A 43 GLN HA 1.0 2.6 4.9 651 307 A 43 GLN HBx A 43 GLN HA 1.0 2.6 4.9 652 308 A 43 GLN HA A 43 GLN HGx 1.0 2.4 4.5 653 308 A 43 GLN HA A 43 GLN HGy 1.0 2.4 4.5 654 309 A 43 GLN HA A 46 LYS HBx 1.0 2.3 4.2 655 309 A 43 GLN HA A 46 LYS HBy 1.0 2.3 4.2 656 310 A 44 THR HG2% A 44 THR HA 1.0 2.5 4.6 657 311 A 44 THR H A 44 THR HA 1.0 2.9 5.5 658 312 A 44 THR HA A 45 GLU H 1.0 2.8 5.3 659 313 A 52 LEU HDy% A 44 THR HB 1.0 2.8 5.2 660 313 A 52 LEU HDx% A 44 THR HB 1.0 2.8 5.2 661 314 A 55 LEU HDy% A 44 THR HB 1.0 2.7 5.1 662 314 A 55 LEU HDx% A 44 THR HB 1.0 2.7 5.1 663 315 A 44 THR HG2% A 45 GLU H 1.0 2.7 5.1 664 316 A 45 GLU HA A 45 GLU HGy 1.0 3.0 5.6 665 316 A 45 GLU HA A 45 GLU HGx 1.0 3.0 5.6 666 317 A 45 GLU HA A 45 GLU HGy 1.0 3.2 6.0 667 317 A 45 GLU HA A 45 GLU HGx 1.0 3.2 6.0 668 318 A 45 GLU HA A 45 GLU HBx 1.0 2.5 4.6 669 318 A 45 GLU HA A 45 GLU HBy 1.0 2.5 4.6 670 319 A 45 GLU HBy A 45 GLU HGx 1.0 1.5 2.8 671 319 A 45 GLU HBx A 45 GLU HGx 1.0 1.5 2.8 672 319 A 45 GLU HGy A 45 GLU HBx 1.0 1.5 2.8 673 319 A 45 GLU HBy A 45 GLU HGy 1.0 1.5 2.8 674 320 A 46 LYS HBy A 47 ALA H 1.0 3.1 5.9 675 320 A 47 ALA H A 46 LYS HBx 1.0 3.1 5.9 676 321 A 46 LYS HBy A 46 LYS HEx 1.0 2.9 5.5 677 321 A 46 LYS HBy A 46 LYS HEy 1.0 2.9 5.5 678 321 A 46 LYS HBx A 46 LYS HEx 1.0 2.9 5.5 679 321 A 46 LYS HEy A 46 LYS HBx 1.0 2.9 5.5 680 322 A 46 LYS HBy A 47 ALA H 1.0 3.1 5.9 681 322 A 47 ALA H A 46 LYS HBx 1.0 3.1 5.9 682 323 A 47 ALA H A 46 LYS HA 1.0 2.4 4.5 683 324 A 47 ALA HA A 47 ALA HB% 1.0 1.8 3.4 684 325 A 47 ALA HB% A 48 ASP H 1.0 2.2 4.1 685 326 A 47 ALA HB% A 51 ASP HBx 1.0 2.8 5.2 686 326 A 47 ALA HB% A 51 ASP HBy 1.0 2.8 5.2 687 327 A 52 LEU HDy% A 47 ALA HB% 1.0 1.9 3.5 688 327 A 52 LEU HDx% A 47 ALA HB% 1.0 1.9 3.5 689 328 A 55 LEU HDy% A 47 ALA HB% 1.0 1.9 3.5 690 328 A 55 LEU HDx% A 47 ALA HB% 1.0 1.9 3.5 691 329 A 50 VAL HGy% A 49 HIS HBy 1.0 2.9 5.3 692 329 A 50 VAL HGx% A 49 HIS HBy 1.0 2.9 5.3 693 329 A 50 VAL HGy% A 49 HIS HBx 1.0 2.9 5.3 694 329 A 50 VAL HGx% A 49 HIS HBx 1.0 2.9 5.3 695 330 A 49 HIS HBy A 50 VAL HB 1.0 3.1 5.9 696 330 A 49 HIS HBx A 50 VAL HB 1.0 3.1 5.9 697 331 A 50 VAL HGy% A 49 HIS HBy 1.0 3.3 6.2 698 331 A 50 VAL HGx% A 49 HIS HBy 1.0 3.3 6.2 699 331 A 50 VAL HGy% A 49 HIS HBx 1.0 3.3 6.2 700 331 A 50 VAL HGx% A 49 HIS HBx 1.0 3.3 6.2 701 332 A 52 LEU HBy A 49 HIS HA 1.0 2.8 5.2 702 332 A 52 LEU HBx A 49 HIS HA 1.0 2.8 5.2 703 333 A 50 VAL HGy% A 51 ASP H 1.0 2.5 4.8 704 333 A 50 VAL HGx% A 51 ASP H 1.0 2.5 4.8 705 334 A 50 VAL HGy% A 51 ASP H 1.0 3.0 5.6 706 334 A 50 VAL HGx% A 51 ASP H 1.0 3.0 5.6 707 335 A 50 VAL HGy% A 50 VAL HA 1.0 2.3 4.3 708 335 A 50 VAL HGx% A 50 VAL HA 1.0 2.3 4.3 709 336 A 50 VAL HGy% A 50 VAL HA 1.0 2.5 4.6 710 336 A 50 VAL HGx% A 50 VAL HA 1.0 2.5 4.6 711 337 A 50 VAL HA A 50 VAL HB 1.0 3.1 5.9 712 338 A 50 VAL HA A 53 ALA HB% 1.0 2.5 4.8 713 339 A 50 VAL HGy% A 50 VAL HB 1.0 2.1 3.9 714 339 A 50 VAL HGx% A 50 VAL HB 1.0 2.1 3.9 715 340 A 50 VAL HGy% A 50 VAL HB 1.0 1.9 3.6 716 340 A 50 VAL HGx% A 50 VAL HB 1.0 1.9 3.6 717 341 A 51 ASP HA A 51 ASP HBx 1.0 2.5 4.6 718 341 A 51 ASP HBy A 51 ASP HA 1.0 2.5 4.6 719 342 A 52 LEU H A 51 ASP HBx 1.0 2.7 5.0 720 342 A 52 LEU H A 51 ASP HBy 1.0 2.7 5.0 721 343 A 52 LEU HDy% A 52 LEU H 1.0 3.3 6.2 722 343 A 52 LEU HDx% A 52 LEU H 1.0 3.3 6.2 723 344 A 52 LEU HDy% A 56 MET H 1.0 3.1 5.9 724 344 A 52 LEU HDx% A 56 MET H 1.0 3.1 5.9 725 345 A 52 LEU HDy% A 52 LEU HA 1.0 2.3 4.2 726 345 A 52 LEU HDx% A 52 LEU HA 1.0 2.3 4.2 727 346 A 52 LEU H A 52 LEU HA 1.0 2.8 5.3 728 347 A 55 LEU HBy A 52 LEU HA 1.0 3.4 6.3 729 347 A 55 LEU HBx A 52 LEU HA 1.0 3.4 6.3 730 348 A 55 LEU HBy A 52 LEU HA 1.0 3.2 6.0 731 348 A 55 LEU HBx A 52 LEU HA 1.0 3.2 6.0 732 349 A 55 LEU HDy% A 52 LEU HA 1.0 2.4 4.5 733 349 A 55 LEU HDx% A 52 LEU HA 1.0 2.4 4.5 734 350 A 52 LEU HA A 55 LEU H 1.0 3.4 6.3 735 351 A 53 ALA HA A 53 ALA HB% 1.0 2.1 3.9 736 352 A 53 ALA HA A 53 ALA H 1.0 3.1 5.7 737 353 A 53 ALA HA A 54 THR H 1.0 3.3 6.2 738 354 A 56 MET HBy A 53 ALA HA 1.0 2.9 5.3 739 354 A 56 MET HBx A 53 ALA HA 1.0 2.9 5.3 740 355 A 53 ALA HB% A 53 ALA H 1.0 2.1 3.9 741 356 A 54 THR HG2% A 54 THR HA 1.0 2.5 4.6 742 357 A 54 THR H A 54 THR HA 1.0 3.0 5.6 743 358 A 54 THR HA A 57 ILE HB 1.0 3.2 6.0 744 359 A 54 THR HG2% A 54 THR HB 1.0 2.1 3.9 745 360 A 55 LEU H A 54 THR HB 1.0 2.5 4.8 746 361 A 54 THR HG2% A 54 THR H 1.0 2.9 5.3 747 362 A 54 THR HG2% A 55 LEU HA 1.0 2.0 3.6 748 363 A 55 LEU HBy A 55 LEU H 1.0 2.5 4.6 749 363 A 55 LEU HBx A 55 LEU H 1.0 2.5 4.6 750 364 A 55 LEU HBy A 55 LEU H 1.0 2.7 5.1 751 364 A 55 LEU HBx A 55 LEU H 1.0 2.7 5.1 752 365 A 55 LEU HDy% A 55 LEU HG 1.0 1.7 3.2 753 365 A 55 LEU HDx% A 55 LEU HG 1.0 1.7 3.2 754 366 A 59 PHE HD% A 55 LEU HDy% 1.0 2.6 4.9 755 366 A 59 PHE HD% A 55 LEU HDx% 1.0 2.6 4.9 756 367 A 55 LEU H A 55 LEU HG 1.0 2.6 4.9 757 368 A 55 LEU HDy% A 55 LEU HA 1.0 2.1 3.9 758 368 A 55 LEU HDx% A 55 LEU HA 1.0 2.1 3.9 759 369 A 55 LEU HA A 58 ASP HBy 1.0 2.8 5.3 760 369 A 55 LEU HA A 58 ASP HBx 1.0 2.8 5.3 761 370 A 54 THR HG2% A 55 LEU H 1.0 2.5 4.6 762 371 A 56 MET HBy A 56 MET HGx 1.0 2.3 4.4 763 371 A 56 MET HBx A 56 MET HGx 1.0 2.3 4.4 764 371 A 56 MET HBy A 56 MET HGy 1.0 2.3 4.4 765 371 A 56 MET HBx A 56 MET HGy 1.0 2.3 4.4 766 372 A 56 MET HBy A 65 ALA HA 1.0 2.6 4.9 767 372 A 56 MET HBx A 65 ALA HA 1.0 2.6 4.9 768 373 A 56 MET HBy A 56 MET HA 1.0 2.4 4.5 769 373 A 56 MET HBx A 56 MET HA 1.0 2.4 4.5 770 374 A 56 MET HE% A 56 MET HA 1.0 2.5 4.6 771 375 A 56 MET HA A 56 MET H 1.0 3.0 5.6 772 376 A 59 PHE HBy A 56 MET HA 1.0 2.8 5.3 773 376 A 59 PHE HBx A 56 MET HA 1.0 2.8 5.3 774 377 A 56 MET HE% A 65 ALA HA 1.0 2.2 4.0 775 378 A 56 MET HE% A 65 ALA HB% 1.0 1.9 3.7 776 379 A 56 MET HE% A 68 MET HE% 1.0 2.3 4.2 777 380 A 56 MET HE% A 69 ALA HA 1.0 2.9 5.5 778 381 A 56 MET HE% A 69 ALA HB% 1.0 1.9 3.5 779 382 A 56 MET HE% A 69 ALA H 1.0 2.2 4.2 780 383 A 62 GLU HA A 57 ILE HG1y 1.0 2.8 5.3 781 383 A 57 ILE HG1x A 62 GLU HA 1.0 2.8 5.3 782 384 A 62 GLU HA A 57 ILE HG1y 1.0 2.5 4.6 783 384 A 57 ILE HG1x A 62 GLU HA 1.0 2.5 4.6 784 385 A 65 ALA HB% A 57 ILE HG1y 1.0 3.2 6.0 785 385 A 65 ALA HB% A 57 ILE HG1x 1.0 3.2 6.0 786 386 A 57 ILE HD1% A 57 ILE HA 1.0 3.1 5.8 787 387 A 57 ILE HA A 57 ILE HG2% 1.0 2.4 4.5 788 388 A 57 ILE HA A 65 ALA HB% 1.0 2.6 4.9 789 389 A 57 ILE HB A 57 ILE HG2% 1.0 2.1 3.9 790 390 A 57 ILE HB A 57 ILE H 1.0 2.7 5.0 791 391 A 57 ILE HB A 58 ASP H 1.0 3.0 5.6 792 392 A 57 ILE HD1% A 57 ILE HG1y 1.0 1.9 3.5 793 392 A 57 ILE HD1% A 57 ILE HG1x 1.0 1.9 3.5 794 393 A 57 ILE HD1% A 57 ILE H 1.0 2.9 5.4 795 394 A 57 ILE HD1% A 62 GLU HGy 1.0 2.8 5.2 796 394 A 57 ILE HD1% A 62 GLU HGx 1.0 2.8 5.2 797 395 A 57 ILE HG2% A 57 ILE H 1.0 2.8 5.3 798 396 A 57 ILE HG2% A 61 GLY HAx 1.0 3.3 6.2 799 396 A 57 ILE HG2% A 61 GLY HAy 1.0 3.3 6.2 800 397 A 62 GLU HGy A 57 ILE HG2% 1.0 3.1 5.9 801 397 A 62 GLU HGx A 57 ILE HG2% 1.0 3.1 5.9 802 398 A 62 GLU HGy A 57 ILE HG2% 1.0 2.6 4.8 803 398 A 62 GLU HGx A 57 ILE HG2% 1.0 2.6 4.8 804 399 A 62 GLU HA A 57 ILE HG2% 1.0 2.5 4.6 805 400 A 57 ILE HG2% A 62 GLU HBx 1.0 2.8 5.3 806 400 A 62 GLU HBy A 57 ILE HG2% 1.0 2.8 5.3 807 401 A 65 ALA HB% A 57 ILE H 1.0 2.3 4.3 808 402 A 58 ASP HBy A 58 ASP HA 1.0 2.6 4.9 809 402 A 58 ASP HBx A 58 ASP HA 1.0 2.6 4.9 810 403 A 58 ASP HBy A 58 ASP HA 1.0 2.6 4.9 811 403 A 58 ASP HBx A 58 ASP HA 1.0 2.6 4.9 812 404 A 58 ASP H A 58 ASP HA 1.0 2.5 4.6 813 405 A 59 PHE HBy A 59 PHE HA 1.0 2.3 4.3 814 405 A 59 PHE HBx A 59 PHE HA 1.0 2.3 4.3 815 406 A 59 PHE HD% A 59 PHE HA 1.0 2.8 5.2 816 407 A 59 PHE HA A 59 PHE H 1.0 2.6 4.9 817 408 A 60 ASN HA A 60 ASN HBy 1.0 2.5 4.6 818 408 A 60 ASN HA A 60 ASN HBx 1.0 2.5 4.6 819 409 A 60 ASN HA A 60 ASN HBy 1.0 2.6 4.9 820 409 A 60 ASN HA A 60 ASN HBx 1.0 2.6 4.9 821 410 A 62 GLU HGy A 63 GLU H 1.0 3.4 6.3 822 410 A 62 GLU HGx A 63 GLU H 1.0 3.4 6.3 823 411 A 62 GLU HA A 62 GLU HBx 1.0 2.4 4.5 824 411 A 62 GLU HBy A 62 GLU HA 1.0 2.4 4.5 825 412 A 62 GLU HA A 62 GLU H 1.0 2.9 5.5 826 413 A 62 GLU HA A 63 GLU H 1.0 3.5 6.6 827 414 A 65 ALA HB% A 62 GLU HA 1.0 2.7 5.0 828 415 A 62 GLU HA A 65 ALA H 1.0 3.1 5.8 829 416 A 62 GLU HGx A 62 GLU HBx 1.0 2.2 4.2 830 416 A 62 GLU HGy A 62 GLU HBx 1.0 2.2 4.2 831 416 A 62 GLU HGy A 62 GLU HBy 1.0 2.2 4.2 832 416 A 62 GLU HGx A 62 GLU HBy 1.0 2.2 4.2 833 417 A 62 GLU HGx A 62 GLU HBx 1.0 1.8 3.4 834 417 A 62 GLU HGy A 62 GLU HBx 1.0 1.8 3.4 835 417 A 62 GLU HGy A 62 GLU HBy 1.0 1.8 3.4 836 417 A 62 GLU HGx A 62 GLU HBy 1.0 1.8 3.4 837 418 A 63 GLU H A 62 GLU HBx 1.0 2.7 5.0 838 418 A 62 GLU HBy A 63 GLU H 1.0 2.7 5.0 839 419 A 63 GLU HA A 63 GLU HBx 1.0 2.0 3.8 840 419 A 63 GLU HA A 63 GLU HBy 1.0 2.0 3.8 841 420 A 63 GLU HA A 63 GLU HGx 1.0 2.6 4.8 842 420 A 63 GLU HA A 63 GLU HGy 1.0 2.6 4.8 843 421 A 63 GLU H A 63 GLU HA 1.0 2.5 4.8 844 422 A 64 LYS H A 63 GLU HBx 1.0 2.2 5.9 845 422 A 63 GLU HBy A 64 LYS H 1.0 2.2 5.9 846 423 A 63 GLU H A 63 GLU HGx 1.0 2.9 5.5 847 423 A 63 GLU H A 63 GLU HGy 1.0 2.9 5.5 848 424 A 64 LYS HA A 64 LYS HBy 1.0 2.1 3.9 849 424 A 64 LYS HA A 64 LYS HBx 1.0 2.1 3.9 850 425 A 64 LYS HA A 64 LYS HBy 1.0 2.0 3.8 851 425 A 64 LYS HA A 64 LYS HBx 1.0 2.0 3.8 852 426 A 64 LYS HA A 64 LYS HGx 1.0 1.9 3.7 853 426 A 64 LYS HA A 64 LYS HGy 1.0 1.9 3.7 854 427 A 64 LYS H A 64 LYS HA 1.0 2.7 5.0 855 428 A 64 LYS HA A 67 ALA H 1.0 2.9 5.5 856 429 A 65 ALA HB% A 65 ALA HA 1.0 2.0 3.6 857 430 A 65 ALA HA A 65 ALA H 1.0 2.7 5.0 858 431 A 68 MET HBy A 65 ALA HA 1.0 2.8 5.3 859 431 A 68 MET HBx A 65 ALA HA 1.0 2.8 5.3 860 432 A 65 ALA HA A 69 ALA H 1.0 3.2 6.0 861 433 A 65 ALA HB% A 65 ALA H 1.0 1.8 3.4 862 434 A 65 ALA HB% A 68 MET HBy 1.0 2.2 4.1 863 434 A 65 ALA HB% A 68 MET HBx 1.0 2.2 4.1 864 435 A 66 TRP HA A 66 TRP HBx 1.0 2.6 4.7 865 435 A 66 TRP HA A 66 TRP HBy 1.0 2.6 4.7 866 436 A 66 TRP HA A 66 TRP H 1.0 2.7 5.0 867 437 A 69 ALA HB% A 66 TRP HA 1.0 2.4 4.5 868 438 A 66 TRP HA A 70 VAL H 1.0 3.1 5.9 869 439 A 66 TRP HE3 A 66 TRP HZ3 1.0 2.8 5.2 870 440 A 66 TRP H A 67 ALA HB% 1.0 2.6 4.9 871 441 A 67 ALA HB% A 67 ALA HA 1.0 2.2 4.0 872 442 A 67 ALA H A 67 ALA HA 1.0 2.8 5.2 873 443 A 67 ALA HA A 70 VAL HGy% 1.0 1.9 5.5 874 443 A 67 ALA HA A 70 VAL HGx% 1.0 1.9 5.5 875 444 A 67 ALA HA A 70 VAL HB 1.0 2.7 5.1 876 445 A 70 VAL H A 67 ALA HA 1.0 3.0 5.6 877 446 A 67 ALA HB% A 68 MET H 1.0 2.5 4.8 878 447 A 72 ILE HD1% A 68 MET HBy 1.0 2.8 5.2 879 447 A 72 ILE HD1% A 68 MET HBx 1.0 2.8 5.2 880 448 A 68 MET HBy A 68 MET HE% 1.0 2.1 3.9 881 448 A 68 MET HBx A 68 MET HE% 1.0 2.1 3.9 882 449 A 72 ILE HD1% A 68 MET HBy 1.0 2.5 4.6 883 449 A 72 ILE HD1% A 68 MET HBx 1.0 2.5 4.6 884 450 A 68 MET H A 68 MET HA 1.0 2.6 4.9 885 451 A 68 MET HE% A 68 MET H 1.0 3.2 5.9 886 452 A 72 ILE HG1y A 68 MET HE% 1.0 2.4 4.5 887 452 A 72 ILE HG1x A 68 MET HE% 1.0 2.4 4.5 888 453 A 72 ILE HD1% A 68 MET HE% 1.0 2.5 4.6 889 454 A 68 MET H A 68 MET HGx 1.0 2.8 5.2 890 454 A 68 MET H A 68 MET HGy 1.0 2.8 5.2 891 455 A 69 ALA HB% A 69 ALA HA 1.0 2.4 4.5 892 456 A 69 ALA HA A 72 ILE HB 1.0 3.2 5.9 893 457 A 69 ALA HA A 72 ILE HD1% 1.0 3.3 6.2 894 458 A 69 ALA HB% A 70 VAL H 1.0 2.4 4.5 895 459 A 69 ALA HB% A 73 PHE HD% 1.0 2.8 5.2 896 460 A 70 VAL HGy% A 71 TRP HA 1.0 2.5 4.6 897 460 A 70 VAL HGx% A 71 TRP HA 1.0 2.5 4.6 898 461 A 70 VAL HGy% A 82 TYR HA 1.0 2.8 5.2 899 461 A 70 VAL HGx% A 82 TYR HA 1.0 2.8 5.2 900 462 A 70 VAL HGy% A 82 TYR HDy 1.0 3.0 5.6 901 462 A 70 VAL HGy% A 82 TYR HDx 1.0 3.0 5.6 902 462 A 70 VAL HGx% A 82 TYR HDx 1.0 3.0 5.6 903 462 A 70 VAL HGx% A 82 TYR HDy 1.0 3.0 5.6 904 463 A 70 VAL HGy% A 82 TYR HEx 1.0 2.5 4.8 905 463 A 70 VAL HGy% A 82 TYR HEy 1.0 2.5 4.8 906 463 A 70 VAL HGx% A 82 TYR HEy 1.0 2.5 4.8 907 463 A 70 VAL HGx% A 82 TYR HEx 1.0 2.5 4.8 908 464 A 85 ALA HB% A 70 VAL HGy% 1.0 1.9 3.7 909 464 A 85 ALA HB% A 70 VAL HGx% 1.0 1.9 3.7 910 465 A 57 ILE HD1% A 5 ARG HA 1.0 2.4 4.5 911 466 A 73 PHE HD% A 70 VAL HA 1.0 2.5 4.6 912 467 A 70 VAL HA A 73 PHE H 1.0 3.5 6.4 913 468 A 82 TYR HA A 70 VAL HA 1.0 3.0 5.6 914 469 A 70 VAL HGy% A 70 VAL HB 1.0 2.3 4.2 915 469 A 70 VAL HGx% A 70 VAL HB 1.0 2.3 4.2 916 470 A 70 VAL HB A 82 TYR HDx 1.0 3.1 5.7 917 470 A 70 VAL HB A 82 TYR HDy 1.0 3.1 5.7 918 471 A 71 TRP HA A 71 TRP HBy 1.0 2.5 4.6 919 471 A 71 TRP HA A 71 TRP HBx 1.0 2.5 4.6 920 472 A 71 TRP HA A 71 TRP HBy 1.0 2.5 4.6 921 472 A 71 TRP HA A 71 TRP HBx 1.0 2.5 4.6 922 473 A 71 TRP HA A 74 ALA HB% 1.0 2.6 4.9 923 474 A 72 ILE HB A 71 TRP HE3 1.0 3.1 5.7 924 475 A 72 ILE HB A 71 TRP HZ3 1.0 3.1 5.7 925 476 A 75 ALA HB% A 71 TRP HZ3 1.0 3.3 6.2 926 477 A 72 ILE HG1y A 75 ALA HB% 1.0 2.6 4.9 927 477 A 72 ILE HG1x A 75 ALA HB% 1.0 2.6 4.9 928 478 A 72 ILE HG2% A 72 ILE HA 1.0 2.7 5.0 929 479 A 75 ALA HB% A 72 ILE HA 1.0 2.5 4.6 930 480 A 72 ILE HD1% A 72 ILE HB 1.0 2.7 5.1 931 481 A 75 ALA HB% A 72 ILE HB 1.0 2.5 4.8 932 482 A 76 ILE HD1% A 72 ILE HG2% 1.0 2.5 4.8 933 483 A 72 ILE HG2% A 76 ILE H 1.0 3.1 5.9 934 484 A 74 ALA H A 73 PHE HBy 1.0 2.4 6.7 935 484 A 73 PHE HBx A 74 ALA H 1.0 2.4 6.7 936 485 A 73 PHE HBy A 82 TYR H 1.0 3.2 6.0 937 485 A 73 PHE HBx A 82 TYR H 1.0 3.2 6.0 938 486 A 74 ALA H A 73 PHE HBy 1.0 2.2 6.1 939 486 A 73 PHE HBx A 74 ALA H 1.0 2.2 6.1 940 487 A 76 ILE HD1% A 73 PHE HA 1.0 2.7 5.0 941 488 A 81 LEU HDy% A 73 PHE HD% 1.0 2.8 5.2 942 488 A 81 LEU HDx% A 73 PHE HD% 1.0 2.8 5.2 943 489 A 73 PHE HD% A 82 TYR HA 1.0 2.9 5.3 944 490 A 85 ALA HB% A 73 PHE HD% 1.0 2.4 4.5 945 491 A 73 PHE HZ A 81 LEU HDy% 1.0 3.2 6.0 946 491 A 73 PHE HZ A 81 LEU HDx% 1.0 3.2 6.0 947 492 A 73 PHE HZ A 85 ALA HB% 1.0 2.6 4.7 948 493 A 74 ALA HB% A 74 ALA HA 1.0 2.3 4.3 949 494 A 74 ALA HA A 77 ASN H 1.0 3.3 6.2 950 495 A 74 ALA HB% A 74 ALA H 1.0 2.1 3.9 951 496 A 74 ALA HB% A 82 TYR HBy 1.0 3.0 5.6 952 496 A 74 ALA HB% A 82 TYR HBx 1.0 3.0 5.6 953 497 A 75 ALA HB% A 75 ALA HA 1.0 2.3 4.4 954 498 A 75 ALA HB% A 76 ILE HA 1.0 3.5 6.6 955 499 A 76 ILE HG2% A 76 ILE HG1y 1.0 2.5 4.8 956 499 A 76 ILE HG2% A 76 ILE HG1x 1.0 2.5 4.8 957 500 A 76 ILE HG1y A 78 ARG HDy 1.0 2.6 4.9 958 500 A 76 ILE HG1y A 78 ARG HDx 1.0 2.6 4.9 959 500 A 76 ILE HG1x A 78 ARG HDx 1.0 2.6 4.9 960 500 A 76 ILE HG1x A 78 ARG HDy 1.0 2.6 4.9 961 501 A 76 ILE HA A 76 ILE HG1y 1.0 2.9 5.5 962 501 A 76 ILE HA A 76 ILE HG1x 1.0 2.9 5.5 963 502 A 76 ILE HA A 76 ILE HB 1.0 2.7 5.1 964 503 A 76 ILE HG2% A 76 ILE HA 1.0 2.3 4.3 965 504 A 76 ILE HD1% A 76 ILE HG2% 1.0 2.2 4.0 966 505 A 76 ILE HD1% A 78 ARG H 1.0 3.1 5.7 967 506 A 77 ASN HA A 77 ASN HBy 1.0 2.7 5.0 968 506 A 77 ASN HA A 77 ASN HBx 1.0 2.7 5.0 969 507 A 77 ASN HA A 77 ASN HBy 1.0 2.3 4.4 970 507 A 77 ASN HA A 77 ASN HBx 1.0 2.3 4.4 971 508 A 81 LEU HDy% A 78 ARG HBy 1.0 2.8 5.2 972 508 A 81 LEU HDx% A 78 ARG HBx 1.0 2.8 5.2 973 508 A 81 LEU HDy% A 78 ARG HBx 1.0 2.8 5.2 974 508 A 81 LEU HDx% A 78 ARG HBy 1.0 2.8 5.2 975 509 A 81 LEU HDy% A 78 ARG HDx 1.0 3.3 6.2 976 509 A 81 LEU HDx% A 78 ARG HDx 1.0 3.3 6.2 977 509 A 81 LEU HDy% A 78 ARG HDy 1.0 3.3 6.2 978 509 A 81 LEU HDx% A 78 ARG HDy 1.0 3.3 6.2 979 510 A 78 ARG HDx A 78 ARG HA 1.0 3.2 6.0 980 510 A 78 ARG HDy A 78 ARG HA 1.0 3.2 6.0 981 511 A 78 ARG HDx A 78 ARG HA 1.0 2.8 5.2 982 511 A 78 ARG HDy A 78 ARG HA 1.0 2.8 5.2 983 512 A 82 TYR HBy A 79 ARG HA 1.0 2.5 4.8 984 512 A 82 TYR HBx A 79 ARG HA 1.0 2.5 4.8 985 513 A 82 TYR HBy A 79 ARG HA 1.0 2.8 5.2 986 513 A 82 TYR HBx A 79 ARG HA 1.0 2.8 5.2 987 514 A 82 TYR H A 79 ARG HA 1.0 2.7 5.0 988 515 A 80 ASP HA A 80 ASP HBx 1.0 2.5 4.6 989 515 A 80 ASP HA A 80 ASP HBy 1.0 2.5 4.6 990 516 A 80 ASP HA A 80 ASP HBx 1.0 2.1 3.9 991 516 A 80 ASP HA A 80 ASP HBy 1.0 2.1 3.9 992 517 A 80 ASP HA A 81 LEU H 1.0 2.9 5.3 993 518 A 81 LEU HDy% A 84 LYS HBx 1.0 2.3 4.3 994 518 A 81 LEU HDy% A 84 LYS HBy 1.0 2.3 4.3 995 518 A 81 LEU HDx% A 84 LYS HBy 1.0 2.3 4.3 996 518 A 81 LEU HDx% A 84 LYS HBx 1.0 2.3 4.3 997 519 A 81 LEU HA A 84 LYS HBy 1.0 2.8 5.3 998 519 A 81 LEU HA A 84 LYS HBx 1.0 2.8 5.3 999 520 A 81 LEU H A 81 LEU HG 1.0 3.0 5.6 1000 521 A 83 GLU HA A 82 TYR HDy 1.0 3.4 6.3 1001 521 A 82 TYR HDx A 83 GLU HA 1.0 3.4 6.3 1002 522 A 82 TYR HDy A 83 GLU HGx 1.0 2.5 4.8 1003 522 A 82 TYR HDx A 83 GLU HGx 1.0 2.5 4.8 1004 522 A 82 TYR HDy A 83 GLU HGy 1.0 2.5 4.8 1005 522 A 82 TYR HDx A 83 GLU HGy 1.0 2.5 4.8 1006 523 A 85 ALA HB% A 82 TYR HDy 1.0 3.0 5.6 1007 523 A 85 ALA HB% A 82 TYR HDx 1.0 3.0 5.6 1008 524 A 82 TYR HEx A 83 GLU HGx 1.0 3.2 5.9 1009 524 A 83 GLU HGy A 82 TYR HEy 1.0 3.2 5.9 1010 524 A 83 GLU HGy A 82 TYR HEx 1.0 3.2 5.9 1011 524 A 82 TYR HEy A 83 GLU HGx 1.0 3.2 5.9 1012 525 A 82 TYR HEx A 86 LYS HGx 1.0 3.0 5.6 1013 525 A 82 TYR HEy A 86 LYS HGx 1.0 3.0 5.6 1014 525 A 82 TYR HEy A 86 LYS HGy 1.0 3.0 5.6 1015 525 A 82 TYR HEx A 86 LYS HGy 1.0 3.0 5.6 1016 526 A 82 TYR HA A 82 TYR HEx 1.0 3.0 5.6 1017 526 A 82 TYR HA A 82 TYR HEy 1.0 3.0 5.6 1018 527 A 83 GLU HA A 83 GLU HBx 1.0 2.3 4.4 1019 527 A 83 GLU HA A 83 GLU HBy 1.0 2.3 4.4 1020 528 A 83 GLU HBx A 83 GLU HGx 1.0 1.8 3.4 1021 528 A 83 GLU HBy A 83 GLU HGx 1.0 1.8 3.4 1022 528 A 83 GLU HGy A 83 GLU HBx 1.0 1.8 3.4 1023 528 A 83 GLU HGy A 83 GLU HBy 1.0 1.8 3.4 1024 529 A 84 LYS H A 83 GLU HBx 1.0 2.6 4.8 1025 529 A 83 GLU HBy A 84 LYS H 1.0 2.6 4.8 1026 530 A 84 LYS H A 83 GLU HGx 1.0 3.1 5.7 1027 530 A 83 GLU HGy A 84 LYS H 1.0 3.1 5.7 1028 531 A 88 ASP HBy A 84 LYS HA 1.0 3.0 5.6 1029 531 A 88 ASP HBx A 84 LYS HA 1.0 3.0 5.6 1030 532 A 88 ASP HBy A 84 LYS HA 1.0 3.1 5.7 1031 532 A 88 ASP HBx A 84 LYS HA 1.0 3.1 5.7 1032 533 A 85 ALA HB% A 84 LYS H 1.0 2.9 5.4 1033 534 A 85 ALA HA A 85 ALA HB% 1.0 2.2 4.1 1034 535 A 85 ALA HA A 85 ALA H 1.0 2.8 5.2 1035 536 A 85 ALA HA A 88 ASP HBy 1.0 2.8 5.2 1036 536 A 85 ALA HA A 88 ASP HBx 1.0 2.8 5.2 1037 537 A 85 ALA HA A 88 ASP HBy 1.0 3.0 5.6 1038 537 A 85 ALA HA A 88 ASP HBx 1.0 3.0 5.6 1039 538 A 85 ALA HA A 88 ASP H 1.0 2.7 5.0 1040 539 A 85 ALA HB% A 86 LYS H 1.0 2.6 4.9 1041 540 A 86 LYS HA A 86 LYS HBx 1.0 2.6 4.9 1042 540 A 86 LYS HA A 86 LYS HBy 1.0 2.6 4.9 1043 541 A 86 LYS H A 86 LYS HA 1.0 2.5 4.6 1044 542 A 86 LYS HA A 89 GLU H 1.0 2.9 5.5 1045 543 A 86 LYS HBx A 86 LYS HGx 1.0 2.2 4.1 1046 543 A 86 LYS HBy A 86 LYS HGx 1.0 2.2 4.1 1047 543 A 86 LYS HGy A 86 LYS HBx 1.0 2.2 4.1 1048 543 A 86 LYS HGy A 86 LYS HBy 1.0 2.2 4.1 1049 544 A 86 LYS H A 86 LYS HBx 1.0 2.5 4.6 1050 544 A 86 LYS H A 86 LYS HBy 1.0 2.5 4.6 1051 545 A 87 ARG H A 86 LYS HBx 1.0 3.2 5.9 1052 545 A 86 LYS HBy A 87 ARG H 1.0 3.2 5.9 1053 546 A 87 ARG HA A 87 ARG HBx 1.0 2.0 3.8 1054 546 A 87 ARG HA A 87 ARG HBy 1.0 2.0 3.8 1055 547 A 87 ARG H A 87 ARG HA 1.0 2.3 4.3 1056 548 A 88 ASP HBy A 89 GLU H 1.0 3.3 6.1 1057 548 A 88 ASP HBx A 89 GLU H 1.0 3.3 6.1 1058 549 A 88 ASP HBy A 88 ASP HA 1.0 2.6 4.9 1059 549 A 88 ASP HBx A 88 ASP HA 1.0 2.6 4.9 1060 550 A 88 ASP HBy A 88 ASP HA 1.0 2.5 4.8 1061 550 A 88 ASP HBx A 88 ASP HA 1.0 2.5 4.8 1062 551 A 90 PRO HDx A 89 GLU HBy 1.0 2.8 5.2 1063 551 A 90 PRO HDy A 89 GLU HBy 1.0 2.8 5.2 1064 551 A 89 GLU HBx A 90 PRO HDy 1.0 2.8 5.2 1065 551 A 89 GLU HBx A 90 PRO HDx 1.0 2.8 5.2 1066 552 A 90 PRO HDx A 89 GLU HBy 1.0 3.2 6.0 1067 552 A 90 PRO HDy A 89 GLU HBy 1.0 3.2 6.0 1068 552 A 89 GLU HBx A 90 PRO HDy 1.0 3.2 6.0 1069 552 A 89 GLU HBx A 90 PRO HDx 1.0 3.2 6.0 1070 553 A 90 PRO HDx A 89 GLU HGy 1.0 3.4 6.3 1071 553 A 90 PRO HDy A 89 GLU HGy 1.0 3.4 6.3 1072 553 A 90 PRO HDy A 89 GLU HGx 1.0 3.4 6.3 1073 553 A 90 PRO HDx A 89 GLU HGx 1.0 3.4 6.3 1074 554 A 90 PRO HDx A 89 GLU HGy 1.0 3.2 5.9 1075 554 A 90 PRO HDy A 89 GLU HGy 1.0 3.2 5.9 1076 554 A 90 PRO HDy A 89 GLU HGx 1.0 3.2 5.9 1077 554 A 90 PRO HDx A 89 GLU HGx 1.0 3.2 5.9 1078 555 A 90 PRO HDy A 89 GLU HA 1.0 1.8 4.8 1079 555 A 90 PRO HDx A 89 GLU HA 1.0 1.8 4.8 1080 556 A 90 PRO HDy A 89 GLU HA 1.0 1.6 4.5 1081 556 A 90 PRO HDx A 89 GLU HA 1.0 1.6 4.5 1082 557 A 90 PRO HBy A 90 PRO HDy 1.0 3.3 6.2 1083 557 A 90 PRO HBy A 90 PRO HDx 1.0 3.3 6.2 1084 557 A 90 PRO HBx A 90 PRO HDy 1.0 3.3 6.2 1085 557 A 90 PRO HBx A 90 PRO HDx 1.0 3.3 6.2 1086 558 A 90 PRO HBy A 90 PRO HDy 1.0 3.1 5.9 1087 558 A 90 PRO HBy A 90 PRO HDx 1.0 3.1 5.9 1088 558 A 90 PRO HBx A 90 PRO HDy 1.0 3.1 5.9 1089 558 A 90 PRO HBx A 90 PRO HDx 1.0 3.1 5.9 1090 559 A 90 PRO HBy A 90 PRO HDy 1.0 2.9 5.5 1091 559 A 90 PRO HBy A 90 PRO HDx 1.0 2.9 5.5 1092 559 A 90 PRO HBx A 90 PRO HDy 1.0 2.9 5.5 1093 559 A 90 PRO HBx A 90 PRO HDx 1.0 2.9 5.5 1094 560 A 90 PRO HBy A 90 PRO HA 1.0 2.2 4.2 1095 560 A 90 PRO HBx A 90 PRO HA 1.0 2.2 4.2 1096 561 A 90 PRO HBy A 90 PRO HA 1.0 2.3 4.4 1097 561 A 90 PRO HBx A 90 PRO HA 1.0 2.3 4.4 1098 562 A 90 PRO HDy A 90 PRO HA 1.0 3.1 5.7 1099 562 A 90 PRO HDx A 90 PRO HA 1.0 3.1 5.7 1100 563 A 90 PRO HGy A 90 PRO HA 1.0 2.7 5.0 1101 563 A 90 PRO HGx A 90 PRO HA 1.0 2.7 5.0 1102 564 A 90 PRO HA A 91 LYS H 1.0 2.0 3.6 1103 565 A 91 LYS HA A 91 LYS HGx 1.0 2.4 4.5 1104 565 A 91 LYS HA A 91 LYS HGy 1.0 2.4 4.5 1105 566 A 91 LYS HEx A 91 LYS HGx 1.0 2.4 4.5 1106 566 A 91 LYS HEy A 91 LYS HGx 1.0 2.4 4.5 1107 566 A 91 LYS HGy A 91 LYS HEx 1.0 2.4 4.5 1108 566 A 91 LYS HGy A 91 LYS HEy 1.0 2.4 4.5 1109 567 A 4 THR H A 5 ARG H 1.0 2.1 3.9 1110 568 A 4 THR H A 7 LYS H 1.0 2.7 5.0 1111 569 A 6 CYS H A 5 ARG H 1.0 2.3 4.3 1112 570 A 6 CYS H A 7 LYS H 1.0 1.7 3.1 1113 571 A 7 LYS H A 9 ALA H 1.0 2.2 4.1 1114 572 A 8 LEU H A 9 ALA H 1.0 2.1 3.9 1115 573 A 9 ALA H A 10 ARG H 1.0 1.6 3.0 1116 574 A 9 ALA H A 11 TYR H 1.0 2.2 4.0 1117 575 A 13 GLU H A 11 TYR H 1.0 1.9 3.5 1118 576 A 13 GLU H A 14 ASP H 1.0 2.4 4.5 1119 577 A 13 GLU H A 15 LEU H 1.0 2.0 3.8 1120 578 A 18 VAL H A 17 ASP H 1.0 2.7 5.0 1121 579 A 18 VAL H A 19 ASP H 1.0 2.5 4.6 1122 580 A 19 ASP H A 20 LEU H 1.0 2.2 4.0 1123 581 A 21 LYS H A 20 LEU H 1.0 2.2 4.1 1124 582 A 23 PHE H A 22 LYS H 1.0 2.3 4.2 1125 583 A 23 PHE H A 24 LYS H 1.0 2.9 5.4 1126 584 A 24 LYS H A 25 MET H 1.0 2.0 3.8 1127 585 A 23 PHE H A 25 MET H 1.0 2.2 4.2 1128 586 A 23 PHE H A 26 HIS H 1.0 2.6 4.8 1129 587 A 28 GLU H A 29 ASP H 1.0 2.1 3.9 1130 588 A 30 TYR H A 29 ASP H 1.0 2.8 5.3 1131 589 A 34 LYS H A 35 GLY H 1.0 1.8 3.4 1132 590 A 35 GLY H A 36 CYS H 1.0 2.1 3.9 1133 591 A 36 CYS H A 37 ILE H 1.0 3.3 6.2 1134 592 A 42 GLY H A 43 GLN H 1.0 2.8 5.3 1135 593 A 44 THR H A 45 GLU H 1.0 2.3 4.2 1136 594 A 45 GLU H A 46 LYS H 1.0 2.2 4.1 1137 595 A 47 ALA H A 46 LYS H 1.0 2.0 3.6 1138 596 A 48 ASP H A 49 HIS H 1.0 2.8 5.2 1139 597 A 49 HIS H A 50 VAL H 1.0 2.8 5.2 1140 598 A 51 ASP H A 50 VAL H 1.0 1.7 3.2 1141 599 A 52 LEU H A 51 ASP H 1.0 2.0 3.8 1142 600 A 52 LEU H A 53 ALA H 1.0 3.1 5.7 1143 601 A 52 LEU H A 56 MET H 1.0 3.4 6.3 1144 602 A 53 ALA H A 54 THR H 1.0 2.6 4.8 1145 603 A 55 LEU H A 54 THR H 1.0 2.0 3.8 1146 604 A 55 LEU H A 57 ILE H 1.0 2.1 3.9 1147 605 A 55 LEU H A 59 PHE H 1.0 2.9 5.3 1148 606 A 57 ILE H A 58 ASP H 1.0 2.6 4.7 1149 607 A 58 ASP H A 59 PHE H 1.0 2.6 4.9 1150 608 A 59 PHE H A 60 ASN H 1.0 2.2 4.0 1151 609 A 60 ASN H A 61 GLY H 1.0 2.1 3.9 1152 610 A 63 GLU H A 62 GLU H 1.0 2.2 4.1 1153 611 A 62 GLU H A 64 LYS H 1.0 3.5 6.4 1154 612 A 65 ALA H A 61 GLY H 1.0 2.2 4.2 1155 613 A 65 ALA H A 64 LYS H 1.0 1.6 3.1 1156 614 A 65 ALA H A 66 TRP H 1.0 1.8 3.4 1157 615 A 67 ALA H A 68 MET H 1.0 2.3 4.4 1158 616 A 69 ALA H A 68 MET H 1.0 1.9 3.7 1159 617 A 69 ALA H A 70 VAL H 1.0 1.7 3.2 1160 618 A 70 VAL H A 71 TRP H 1.0 2.1 3.9 1161 619 A 71 TRP H A 72 ILE H 1.0 2.0 3.8 1162 620 A 70 VAL H A 72 ILE H 1.0 3.2 6.0 1163 621 A 73 PHE H A 72 ILE H 1.0 2.9 5.3 1164 622 A 73 PHE H A 74 ALA H 1.0 3.0 5.6 1165 623 A 74 ALA H A 75 ALA H 1.0 2.3 4.3 1166 624 A 76 ILE H A 75 ALA H 1.0 2.1 3.9 1167 625 A 76 ILE H A 75 ALA H 1.0 1.6 3.0 1168 626 A 77 ASN H A 79 ARG H 1.0 2.7 5.0 1169 627 A 77 ASN H A 78 ARG H 1.0 2.0 3.8 1170 628 A 79 ARG H A 80 ASP H 1.0 1.9 3.5 1171 629 A 81 LEU H A 80 ASP H 1.0 2.7 5.0 1172 630 A 82 TYR H A 81 LEU H 1.0 1.8 3.4 1173 631 A 84 LYS H A 83 GLU H 1.0 2.2 4.1 1174 632 A 84 LYS H A 85 ALA H 1.0 2.5 4.6 1175 633 A 85 ALA H A 86 LYS H 1.0 2.0 3.6 1176 634 A 88 ASP H A 86 LYS H 1.0 2.7 5.1 1177 635 A 86 LYS H A 87 ARG H 1.0 1.9 3.6 1178 636 A 88 ASP H A 87 ARG H 1.0 1.9 3.7 1179 637 A 88 ASP H A 89 GLU H 1.0 2.1 3.9 1180 638 A 2 ALA HB% A 3 SER H 1.0 2.6 4.8 1181 639 A 4 THR H A 3 SER HA 1.0 2.1 3.9 1182 640 A 3 SER HBy A 3 SER H 1.0 2.0 3.8 1183 640 A 3 SER HBx A 3 SER H 1.0 2.0 3.8 1184 641 A 4 THR H A 4 THR HB 1.0 2.8 5.2 1185 642 A 4 THR HB A 5 ARG H 1.0 2.0 3.8 1186 643 A 4 THR H A 4 THR HG2% 1.0 3.5 6.4 1187 644 A 4 THR HG2% A 5 ARG H 1.0 3.5 6.4 1188 645 A 5 ARG H A 5 ARG HBx 1.0 1.5 2.8 1189 645 A 5 ARG H A 5 ARG HBy 1.0 1.5 2.8 1190 646 A 6 CYS H A 5 ARG HBx 1.0 2.3 4.4 1191 646 A 6 CYS H A 5 ARG HBy 1.0 2.3 4.4 1192 647 A 6 CYS H A 6 CYS HA 1.0 2.3 4.2 1193 648 A 6 CYS H A 6 CYS HBx 1.0 1.9 3.5 1194 648 A 6 CYS H A 6 CYS HBy 1.0 1.9 3.5 1195 649 A 7 LYS H A 7 LYS HBx 1.0 1.9 3.6 1196 649 A 7 LYS H A 7 LYS HBy 1.0 1.9 3.6 1197 650 A 8 LEU H A 7 LYS HBx 1.0 2.5 4.6 1198 650 A 8 LEU H A 7 LYS HBy 1.0 2.5 4.6 1199 651 A 9 ALA H A 8 LEU HBy 1.0 2.1 3.9 1200 651 A 9 ALA H A 8 LEU HBx 1.0 2.1 3.9 1201 652 A 9 ALA HB% A 9 ALA H 1.0 1.5 2.8 1202 653 A 10 ARG H A 10 ARG HBx 1.0 1.9 3.5 1203 653 A 10 ARG H A 10 ARG HBy 1.0 1.9 3.5 1204 654 A 11 TYR H A 10 ARG HBx 1.0 2.8 5.2 1205 654 A 10 ARG HBy A 11 TYR H 1.0 2.8 5.2 1206 655 A 13 GLU H A 10 ARG HGx 1.0 3.7 7.0 1207 655 A 10 ARG HGy A 13 GLU H 1.0 3.7 7.0 1208 656 A 11 TYR H A 11 TYR HBy 1.0 2.2 4.1 1209 656 A 11 TYR H A 11 TYR HBx 1.0 2.2 4.1 1210 657 A 12 LEU H A 11 TYR HBy 1.0 2.5 4.6 1211 657 A 12 LEU H A 11 TYR HBx 1.0 2.5 4.6 1212 658 A 12 LEU HBy A 13 GLU H 1.0 2.5 6.9 1213 658 A 12 LEU HBx A 13 GLU H 1.0 2.5 6.9 1214 659 A 12 LEU HDy% A 12 LEU H 1.0 2.8 5.2 1215 659 A 12 LEU HDx% A 12 LEU H 1.0 2.8 5.2 1216 660 A 13 GLU H A 13 GLU HA 1.0 2.3 4.4 1217 661 A 14 ASP H A 14 ASP HA 1.0 3.0 5.6 1218 662 A 14 ASP H A 14 ASP HBx 1.0 2.2 4.2 1219 662 A 14 ASP H A 14 ASP HBy 1.0 2.2 4.2 1220 663 A 15 LEU H A 14 ASP HBx 1.0 3.6 6.7 1221 663 A 15 LEU H A 14 ASP HBy 1.0 3.6 6.7 1222 664 A 15 LEU HA A 16 GLU H 1.0 2.2 4.1 1223 665 A 15 LEU HDy% A 15 LEU H 1.0 3.1 5.9 1224 665 A 15 LEU HDx% A 15 LEU H 1.0 3.1 5.9 1225 666 A 15 LEU HDy% A 23 PHE H 1.0 3.1 5.9 1226 666 A 15 LEU HDx% A 23 PHE H 1.0 3.1 5.9 1227 667 A 15 LEU H A 15 LEU HG 1.0 2.2 4.1 1228 668 A 17 ASP H A 16 GLU HA 1.0 2.2 4.2 1229 669 A 16 GLU HBy A 17 ASP H 1.0 2.5 4.8 1230 669 A 16 GLU HBx A 17 ASP H 1.0 2.5 4.8 1231 670 A 16 GLU HBy A 17 ASP H 1.0 2.7 5.1 1232 670 A 16 GLU HBx A 17 ASP H 1.0 2.7 5.1 1233 671 A 16 GLU H A 16 GLU HGx 1.0 3.2 6.0 1234 671 A 16 GLU HGy A 16 GLU H 1.0 3.2 6.0 1235 672 A 17 ASP HA A 17 ASP H 1.0 2.4 4.5 1236 673 A 17 ASP H A 17 ASP HBx 1.0 2.1 3.9 1237 673 A 17 ASP HBy A 17 ASP H 1.0 2.1 3.9 1238 674 A 18 VAL H A 17 ASP HBx 1.0 2.2 4.1 1239 674 A 17 ASP HBy A 18 VAL H 1.0 2.2 4.1 1240 675 A 18 VAL H A 18 VAL HA 1.0 2.5 4.6 1241 676 A 18 VAL HA A 19 ASP H 1.0 3.7 6.9 1242 677 A 18 VAL HA A 21 LYS H 1.0 2.4 4.5 1243 678 A 18 VAL H A 18 VAL HB 1.0 2.0 3.6 1244 679 A 18 VAL H A 18 VAL HGy% 1.0 1.9 3.7 1245 679 A 18 VAL H A 18 VAL HGx% 1.0 1.9 3.7 1246 680 A 18 VAL HGy% A 19 ASP H 1.0 2.1 6.0 1247 680 A 18 VAL HGx% A 19 ASP H 1.0 2.1 6.0 1248 681 A 19 ASP HA A 20 LEU H 1.0 3.5 6.6 1249 682 A 19 ASP HA A 22 LYS H 1.0 3.2 6.0 1250 683 A 19 ASP HBy A 20 LEU H 1.0 2.9 5.5 1251 683 A 19 ASP HBx A 20 LEU H 1.0 2.9 5.5 1252 684 A 20 LEU HA A 20 LEU H 1.0 2.7 5.0 1253 685 A 20 LEU HBy A 20 LEU H 1.0 2.2 4.2 1254 685 A 20 LEU HBx A 20 LEU H 1.0 2.2 4.2 1255 686 A 20 LEU HDy% A 21 LYS H 1.0 3.0 5.6 1256 686 A 20 LEU HDx% A 21 LYS H 1.0 3.0 5.6 1257 687 A 21 LYS HA A 21 LYS H 1.0 1.9 3.5 1258 688 A 21 LYS HA A 22 LYS H 1.0 2.2 4.2 1259 689 A 22 LYS HA A 25 MET H 1.0 2.4 4.5 1260 690 A 22 LYS HA A 25 MET H 1.0 2.5 4.6 1261 691 A 23 PHE H A 22 LYS HBy 1.0 3.2 6.0 1262 692 A 22 LYS H A 22 LYS HGx 1.0 2.6 4.8 1263 692 A 22 LYS H A 22 LYS HGy 1.0 2.6 4.8 1264 693 A 23 PHE H A 23 PHE HA 1.0 3.1 5.7 1265 694 A 23 PHE HBy A 24 LYS H 1.0 2.7 5.0 1266 694 A 23 PHE HBx A 24 LYS H 1.0 2.7 5.0 1267 695 A 23 PHE HBy A 24 LYS H 1.0 2.2 6.2 1268 695 A 23 PHE HBx A 24 LYS H 1.0 2.2 6.2 1269 696 A 23 PHE HBy A 25 MET H 1.0 4.1 7.6 1270 696 A 23 PHE HBx A 25 MET H 1.0 4.1 7.6 1271 697 A 24 LYS H A 24 LYS HA 1.0 2.8 5.2 1272 698 A 25 MET H A 24 LYS HA 1.0 2.1 3.9 1273 699 A 24 LYS HBy A 25 MET H 1.0 1.4 2.5 1274 699 A 24 LYS HBx A 25 MET H 1.0 1.4 2.5 1275 700 A 24 LYS HBy A 24 LYS H 1.0 2.2 4.1 1276 700 A 24 LYS HBx A 24 LYS H 1.0 2.2 4.1 1277 701 A 24 LYS HBy A 25 MET H 1.0 2.3 4.2 1278 701 A 24 LYS HBx A 25 MET H 1.0 2.3 4.2 1279 702 A 26 HIS H A 25 MET HBy 1.0 2.7 5.1 1280 702 A 26 HIS H A 25 MET HBx 1.0 2.7 5.1 1281 703 A 25 MET H A 25 MET HGy 1.0 2.6 4.9 1282 703 A 25 MET H A 25 MET HGx 1.0 2.6 4.9 1283 704 A 25 MET H A 25 MET HGy 1.0 3.1 5.9 1284 704 A 25 MET H A 25 MET HGx 1.0 3.1 5.9 1285 705 A 26 HIS HA A 26 HIS H 1.0 3.2 6.0 1286 706 A 26 HIS H A 26 HIS HBy 1.0 2.3 4.3 1287 706 A 26 HIS H A 26 HIS HBx 1.0 2.3 4.3 1288 707 A 27 LEU H A 26 HIS HBy 1.0 2.1 3.9 1289 707 A 27 LEU H A 26 HIS HBx 1.0 2.1 3.9 1290 708 A 28 GLU H A 28 GLU HBx 1.0 2.0 3.8 1291 708 A 28 GLU H A 28 GLU HBy 1.0 2.0 3.8 1292 709 A 29 ASP H A 28 GLU HBx 1.0 2.8 5.2 1293 709 A 29 ASP H A 28 GLU HBy 1.0 2.8 5.2 1294 710 A 30 TYR H A 29 ASP HA 1.0 2.1 6.0 1295 711 A 30 TYR H A 30 TYR HBy 1.0 2.3 4.4 1296 711 A 30 TYR H A 30 TYR HBx 1.0 2.3 4.4 1297 712 A 32 PRO HA A 33 GLN H 1.0 1.4 2.7 1298 713 A 33 GLN H A 33 GLN HA 1.0 1.7 3.2 1299 714 A 33 GLN H A 33 GLN HGx 1.0 2.1 3.9 1300 714 A 33 GLN H A 33 GLN HGy 1.0 2.1 3.9 1301 715 A 34 LYS H A 33 GLN HGx 1.0 3.2 5.9 1302 715 A 34 LYS H A 33 GLN HGy 1.0 3.2 5.9 1303 716 A 34 LYS HA A 35 GLY H 1.0 1.5 2.8 1304 717 A 34 LYS HA A 36 CYS H 1.0 2.9 5.5 1305 718 A 34 LYS H A 34 LYS HBx 1.0 1.6 2.9 1306 718 A 34 LYS H A 34 LYS HBy 1.0 1.6 2.9 1307 719 A 35 GLY H A 34 LYS HBx 1.0 3.3 6.2 1308 719 A 35 GLY H A 34 LYS HBy 1.0 3.3 6.2 1309 720 A 34 LYS H A 34 LYS HGx 1.0 2.4 4.5 1310 720 A 34 LYS H A 34 LYS HGy 1.0 2.4 4.5 1311 721 A 35 GLY H A 35 GLY HAx 1.0 1.9 3.5 1312 721 A 35 GLY H A 35 GLY HAy 1.0 1.9 3.5 1313 722 A 36 CYS H A 35 GLY HAx 1.0 2.1 6.0 1314 722 A 36 CYS H A 35 GLY HAy 1.0 2.1 6.0 1315 723 A 36 CYS H A 36 CYS HA 1.0 2.8 5.2 1316 724 A 37 ILE H A 36 CYS HA 1.0 2.2 4.1 1317 725 A 36 CYS HBy A 36 CYS H 1.0 2.3 4.2 1318 725 A 36 CYS HBx A 36 CYS H 1.0 2.3 4.2 1319 726 A 36 CYS HBy A 37 ILE H 1.0 3.4 6.4 1320 726 A 36 CYS HBx A 37 ILE H 1.0 3.4 6.4 1321 727 A 37 ILE HB A 37 ILE H 1.0 2.6 4.7 1322 728 A 38 PRO HA A 39 LEU H 1.0 2.0 3.8 1323 729 A 39 LEU H A 38 PRO HBy 1.0 2.5 6.9 1324 729 A 39 LEU H A 38 PRO HBx 1.0 2.5 6.9 1325 730 A 39 LEU H A 39 LEU HG 1.0 2.9 5.5 1326 731 A 41 ARG H A 41 ARG HA 1.0 3.0 5.6 1327 732 A 41 ARG HA A 43 GLN H 1.0 2.7 5.0 1328 733 A 41 ARG H A 41 ARG HBx 1.0 2.1 3.9 1329 733 A 41 ARG H A 41 ARG HBy 1.0 2.1 3.9 1330 734 A 42 GLY H A 41 ARG HBx 1.0 2.4 4.5 1331 734 A 41 ARG HBy A 42 GLY H 1.0 2.4 4.5 1332 735 A 43 GLN H A 43 GLN HA 1.0 2.7 5.0 1333 736 A 43 GLN HBy A 44 THR H 1.0 2.1 6.0 1334 736 A 43 GLN HBx A 44 THR H 1.0 2.1 6.0 1335 737 A 43 GLN HBy A 43 GLN H 1.0 2.2 4.2 1336 737 A 43 GLN HBx A 43 GLN H 1.0 2.2 4.2 1337 738 A 43 GLN H A 43 GLN HGx 1.0 2.4 4.5 1338 738 A 43 GLN H A 43 GLN HGy 1.0 2.4 4.5 1339 739 A 43 GLN HE2y A 55 LEU HDy% 1.0 3.4 6.3 1340 739 A 43 GLN HE2x A 55 LEU HDy% 1.0 3.4 6.3 1341 739 A 43 GLN HE2x A 55 LEU HDx% 1.0 3.4 6.3 1342 739 A 43 GLN HE2y A 55 LEU HDx% 1.0 3.4 6.3 1343 740 A 45 GLU HA A 46 LYS H 1.0 3.9 7.3 1344 741 A 45 GLU H A 45 GLU HBx 1.0 1.7 3.1 1345 741 A 45 GLU H A 45 GLU HBy 1.0 1.7 3.1 1346 742 A 46 LYS H A 45 GLU HBx 1.0 2.7 5.1 1347 742 A 45 GLU HBy A 46 LYS H 1.0 2.7 5.1 1348 743 A 45 GLU H A 45 GLU HGx 1.0 2.0 3.8 1349 743 A 45 GLU H A 45 GLU HGy 1.0 2.0 3.8 1350 744 A 47 ALA HA A 48 ASP H 1.0 1.6 3.0 1351 745 A 47 ALA H A 47 ALA HB% 1.0 2.0 3.8 1352 746 A 48 ASP H A 48 ASP HA 1.0 3.1 5.7 1353 747 A 49 HIS H A 48 ASP HA 1.0 2.0 3.8 1354 748 A 48 ASP H A 48 ASP HBy 1.0 2.2 4.2 1355 748 A 48 ASP H A 48 ASP HBx 1.0 2.2 4.2 1356 749 A 49 HIS H A 48 ASP HBy 1.0 2.5 4.6 1357 749 A 49 HIS H A 48 ASP HBx 1.0 2.5 4.6 1358 750 A 49 HIS HA A 49 HIS H 1.0 2.6 4.8 1359 751 A 49 HIS HA A 50 VAL H 1.0 3.4 6.3 1360 752 A 49 HIS HBy A 50 VAL H 1.0 2.4 6.4 1361 752 A 49 HIS HBx A 50 VAL H 1.0 2.4 6.4 1362 753 A 49 HIS HBy A 49 HIS H 1.0 2.4 4.5 1363 753 A 49 HIS HBx A 49 HIS H 1.0 2.4 4.5 1364 754 A 50 VAL HA A 50 VAL H 1.0 3.2 6.0 1365 755 A 50 VAL HA A 51 ASP H 1.0 2.3 4.3 1366 756 A 50 VAL HB A 50 VAL H 1.0 2.3 4.2 1367 757 A 50 VAL HB A 51 ASP H 1.0 1.9 3.5 1368 758 A 50 VAL HGy% A 50 VAL H 1.0 2.2 4.2 1369 758 A 50 VAL HGx% A 50 VAL H 1.0 2.2 4.2 1370 759 A 50 VAL HGy% A 54 THR H 1.0 3.7 6.9 1371 759 A 50 VAL HGx% A 54 THR H 1.0 3.7 6.9 1372 760 A 50 VAL HGy% A 53 ALA H 1.0 3.9 7.3 1373 760 A 50 VAL HGx% A 53 ALA H 1.0 3.9 7.3 1374 761 A 51 ASP H A 51 ASP HBx 1.0 1.6 2.9 1375 761 A 51 ASP HBy A 51 ASP H 1.0 1.6 2.9 1376 762 A 53 ALA H A 52 LEU HBy 1.0 2.2 6.4 1377 762 A 53 ALA H A 52 LEU HBx 1.0 2.2 6.4 1378 763 A 53 ALA HA A 56 MET H 1.0 2.8 5.2 1379 764 A 53 ALA HA A 57 ILE H 1.0 3.1 5.7 1380 765 A 53 ALA HB% A 54 THR H 1.0 1.9 3.6 1381 766 A 55 LEU H A 54 THR HA 1.0 3.8 7.1 1382 767 A 54 THR H A 54 THR HB 1.0 1.9 3.6 1383 768 A 54 THR HG2% A 55 LEU H 1.0 3.7 6.9 1384 769 A 55 LEU HA A 57 ILE H 1.0 3.3 6.2 1385 770 A 55 LEU HBy A 56 MET H 1.0 2.8 5.3 1386 770 A 55 LEU HBx A 56 MET H 1.0 2.8 5.3 1387 771 A 55 LEU HBy A 56 MET H 1.0 2.8 5.2 1388 771 A 55 LEU HBx A 56 MET H 1.0 2.8 5.2 1389 772 A 56 MET HBy A 56 MET H 1.0 2.3 4.2 1390 772 A 56 MET HBx A 56 MET H 1.0 2.3 4.2 1391 773 A 56 MET HBy A 57 ILE H 1.0 2.5 4.8 1392 773 A 56 MET HBx A 57 ILE H 1.0 2.5 4.8 1393 774 A 56 MET H A 56 MET HGx 1.0 2.5 4.6 1394 774 A 56 MET HGy A 56 MET H 1.0 2.5 4.6 1395 775 A 57 ILE HA A 57 ILE H 1.0 2.8 5.2 1396 776 A 57 ILE HA A 61 GLY H 1.0 3.1 5.9 1397 777 A 57 ILE HB A 62 GLU H 1.0 3.6 6.7 1398 778 A 57 ILE HG2% A 58 ASP H 1.0 3.1 5.7 1399 779 A 57 ILE HG2% A 62 GLU H 1.0 3.4 6.3 1400 780 A 58 ASP H A 58 ASP HA 1.0 3.0 5.6 1401 781 A 58 ASP HA A 59 PHE H 1.0 2.5 4.6 1402 782 A 59 PHE HA A 60 ASN H 1.0 3.8 7.2 1403 783 A 59 PHE HBy A 59 PHE H 1.0 1.7 3.2 1404 783 A 59 PHE HBx A 59 PHE H 1.0 1.7 3.2 1405 784 A 61 GLY H A 61 GLY HAx 1.0 2.0 3.8 1406 784 A 61 GLY HAy A 61 GLY H 1.0 2.0 3.8 1407 785 A 62 GLU H A 61 GLY HAx 1.0 1.9 3.5 1408 785 A 61 GLY HAy A 62 GLU H 1.0 1.9 3.5 1409 786 A 62 GLU H A 62 GLU HBx 1.0 1.9 3.5 1410 786 A 62 GLU HBy A 62 GLU H 1.0 1.9 3.5 1411 787 A 62 GLU HGy A 62 GLU H 1.0 3.5 6.6 1412 787 A 62 GLU HGx A 62 GLU H 1.0 3.5 6.6 1413 788 A 64 LYS H A 63 GLU HBx 1.0 1.9 3.5 1414 788 A 63 GLU HBy A 64 LYS H 1.0 1.9 3.5 1415 789 A 65 ALA H A 64 LYS HBy 1.0 2.7 5.0 1416 789 A 65 ALA H A 64 LYS HBx 1.0 2.7 5.0 1417 790 A 64 LYS HBy A 66 TRP H 1.0 3.3 6.2 1418 790 A 64 LYS HBx A 66 TRP H 1.0 3.3 6.2 1419 791 A 64 LYS H A 64 LYS HBy 1.0 2.3 4.4 1420 791 A 64 LYS H A 64 LYS HBx 1.0 2.3 4.4 1421 792 A 65 ALA H A 64 LYS HBy 1.0 2.7 5.1 1422 792 A 65 ALA H A 64 LYS HBx 1.0 2.7 5.1 1423 793 A 64 LYS H A 64 LYS HGx 1.0 2.7 5.0 1424 793 A 64 LYS H A 64 LYS HGy 1.0 2.7 5.0 1425 794 A 65 ALA HB% A 57 ILE H 1.0 3.1 5.8 1426 795 A 65 ALA HB% A 65 ALA H 1.0 1.7 3.2 1427 796 A 65 ALA HB% A 66 TRP H 1.0 2.0 3.8 1428 797 A 66 TRP H A 66 TRP HBx 1.0 1.5 2.8 1429 797 A 66 TRP HBy A 66 TRP H 1.0 1.5 2.8 1430 798 A 67 ALA H A 66 TRP HBx 1.0 2.3 4.3 1431 798 A 67 ALA H A 66 TRP HBy 1.0 2.3 4.3 1432 799 A 66 TRP HE1 A 66 TRP HD1 1.0 1.5 2.8 1433 800 A 89 GLU HA A 66 TRP HE1 1.0 3.5 6.6 1434 801 A 4 THR HG2% A 66 TRP HE1 1.0 2.7 5.0 1435 802 A 57 ILE HD1% A 66 TRP HE1 1.0 3.2 6.0 1436 803 A 67 ALA H A 67 ALA HB% 1.0 1.9 3.5 1437 804 A 68 MET H A 68 MET HA 1.0 2.8 5.3 1438 805 A 69 ALA H A 68 MET HA 1.0 2.9 5.4 1439 806 A 68 MET HBy A 69 ALA H 1.0 2.0 3.8 1440 806 A 68 MET HBx A 69 ALA H 1.0 2.0 3.8 1441 807 A 68 MET HBy A 69 ALA H 1.0 2.5 4.6 1442 807 A 68 MET HBx A 69 ALA H 1.0 2.5 4.6 1443 808 A 69 ALA HA A 69 ALA H 1.0 2.4 4.5 1444 809 A 69 ALA HB% A 69 ALA H 1.0 1.6 2.9 1445 810 A 70 VAL H A 70 VAL HA 1.0 3.2 5.9 1446 811 A 70 VAL H A 70 VAL HB 1.0 2.1 3.9 1447 812 A 70 VAL HB A 71 TRP H 1.0 2.1 3.9 1448 813 A 70 VAL HGy% A 86 LYS H 1.0 3.1 5.7 1449 813 A 70 VAL HGx% A 86 LYS H 1.0 3.1 5.7 1450 814 A 71 TRP HA A 71 TRP H 1.0 2.2 4.2 1451 815 A 71 TRP HBy A 71 TRP H 1.0 2.0 3.6 1452 815 A 71 TRP HBx A 71 TRP H 1.0 2.0 3.6 1453 816 A 71 TRP HBy A 72 ILE H 1.0 2.9 5.3 1454 816 A 71 TRP HBx A 72 ILE H 1.0 2.9 5.3 1455 817 A 71 TRP HBy A 72 ILE H 1.0 3.2 6.0 1456 817 A 71 TRP HBx A 72 ILE H 1.0 3.2 6.0 1457 818 A 73 PHE H A 71 TRP HE3 1.0 3.1 5.9 1458 819 A 71 TRP HE1 A 71 TRP HD1 1.0 1.4 2.7 1459 820 A 72 ILE HA A 72 ILE H 1.0 3.2 5.9 1460 821 A 73 PHE H A 72 ILE HA 1.0 3.6 6.7 1461 822 A 72 ILE HA A 75 ALA H 1.0 3.0 5.6 1462 823 A 72 ILE HB A 72 ILE H 1.0 2.4 4.5 1463 824 A 72 ILE HB A 73 PHE H 1.0 3.2 5.9 1464 825 A 72 ILE HB A 75 ALA H 1.0 3.6 6.7 1465 826 A 72 ILE HG1y A 72 ILE H 1.0 2.5 4.6 1466 826 A 72 ILE HG1x A 72 ILE H 1.0 2.5 4.6 1467 827 A 72 ILE HG1y A 72 ILE H 1.0 2.8 5.3 1468 827 A 72 ILE HG1x A 72 ILE H 1.0 2.8 5.3 1469 828 A 72 ILE HG1y A 73 PHE H 1.0 3.9 7.3 1470 828 A 72 ILE HG1x A 73 PHE H 1.0 3.9 7.3 1471 829 A 73 PHE HA A 78 ARG H 1.0 2.6 4.9 1472 830 A 73 PHE HBy A 82 TYR H 1.0 2.5 4.6 1473 830 A 73 PHE HBx A 82 TYR H 1.0 2.5 4.6 1474 831 A 74 ALA H A 74 ALA HA 1.0 3.0 5.6 1475 832 A 74 ALA HB% A 75 ALA H 1.0 2.5 4.6 1476 833 A 73 PHE H A 74 ALA H 1.0 3.1 5.7 1477 834 A 75 ALA HA A 75 ALA H 1.0 2.4 4.5 1478 835 A 76 ILE H A 75 ALA HA 1.0 3.1 5.7 1479 836 A 75 ALA HB% A 75 ALA H 1.0 1.9 3.5 1480 837 A 76 ILE H A 76 ILE HB 1.0 2.9 5.4 1481 838 A 76 ILE HD1% A 76 ILE H 1.0 3.1 5.7 1482 839 A 76 ILE HD1% A 24 LYS H 1.0 3.5 6.6 1483 840 A 76 ILE HG1y A 78 ARG H 1.0 2.3 4.3 1484 840 A 76 ILE HG1x A 78 ARG H 1.0 2.3 4.3 1485 841 A 76 ILE HG2% A 76 ILE H 1.0 1.8 3.4 1486 842 A 76 ILE H A 77 ASN HA 1.0 3.7 6.9 1487 843 A 77 ASN H A 77 ASN HA 1.0 1.6 2.9 1488 844 A 78 ARG H A 77 ASN HA 1.0 2.2 4.1 1489 845 A 77 ASN HA A 79 ARG H 1.0 2.3 4.3 1490 846 A 77 ASN HBy A 79 ARG H 1.0 3.2 5.9 1491 846 A 77 ASN HBx A 79 ARG H 1.0 3.2 5.9 1492 847 A 77 ASN H A 77 ASN HBy 1.0 3.0 5.6 1493 847 A 77 ASN H A 77 ASN HBx 1.0 3.0 5.6 1494 848 A 78 ARG H A 77 ASN HBy 1.0 2.3 4.3 1495 848 A 78 ARG H A 77 ASN HBx 1.0 2.3 4.3 1496 849 A 78 ARG H A 78 ARG HA 1.0 3.0 5.6 1497 850 A 78 ARG HA A 79 ARG H 1.0 1.7 3.1 1498 851 A 78 ARG H A 78 ARG HBx 1.0 2.0 3.8 1499 851 A 78 ARG H A 78 ARG HBy 1.0 2.0 3.8 1500 852 A 81 LEU H A 78 ARG HBx 1.0 2.9 5.5 1501 852 A 81 LEU H A 78 ARG HBy 1.0 2.9 5.5 1502 853 A 79 ARG HA A 79 ARG H 1.0 2.3 4.3 1503 854 A 79 ARG H A 79 ARG HBx 1.0 1.5 2.8 1504 854 A 79 ARG H A 79 ARG HBy 1.0 1.5 2.8 1505 855 A 80 ASP H A 79 ARG HBx 1.0 2.7 5.0 1506 855 A 80 ASP H A 79 ARG HBy 1.0 2.7 5.0 1507 856 A 80 ASP HA A 80 ASP H 1.0 2.5 4.8 1508 857 A 82 TYR H A 81 LEU HBy 1.0 1.6 4.8 1509 857 A 82 TYR H A 81 LEU HBx 1.0 1.6 4.8 1510 858 A 82 TYR H A 81 LEU HBy 1.0 3.4 6.3 1511 858 A 82 TYR H A 81 LEU HBx 1.0 3.4 6.3 1512 859 A 81 LEU HDy% A 81 LEU H 1.0 3.6 6.7 1513 859 A 81 LEU HDx% A 81 LEU H 1.0 3.6 6.7 1514 860 A 82 TYR HA A 82 TYR H 1.0 2.0 3.8 1515 861 A 82 TYR HA A 83 GLU H 1.0 2.9 5.5 1516 862 A 82 TYR HBy A 83 GLU H 1.0 2.2 4.2 1517 862 A 82 TYR HBx A 83 GLU H 1.0 2.2 4.2 1518 863 A 82 TYR H A 82 TYR HBy 1.0 1.8 3.3 1519 863 A 82 TYR H A 82 TYR HBx 1.0 1.8 3.3 1520 864 A 82 TYR HBy A 83 GLU H 1.0 2.9 5.3 1521 864 A 82 TYR HBx A 83 GLU H 1.0 2.9 5.3 1522 865 A 83 GLU HA A 83 GLU H 1.0 2.6 4.8 1523 866 A 83 GLU HA A 86 LYS H 1.0 3.7 6.9 1524 867 A 83 GLU H A 83 GLU HBx 1.0 1.8 3.3 1525 867 A 83 GLU HBy A 83 GLU H 1.0 1.8 3.3 1526 868 A 83 GLU H A 83 GLU HGx 1.0 2.2 4.2 1527 868 A 83 GLU HGy A 83 GLU H 1.0 2.2 4.2 1528 869 A 84 LYS H A 84 LYS HA 1.0 2.7 5.0 1529 870 A 84 LYS HBy A 84 LYS H 1.0 1.9 3.5 1530 870 A 84 LYS HBx A 84 LYS H 1.0 1.9 3.5 1531 871 A 84 LYS HBy A 85 ALA H 1.0 2.3 4.3 1532 871 A 84 LYS HBx A 85 ALA H 1.0 2.3 4.3 1533 872 A 84 LYS HBy A 87 ARG H 1.0 2.4 4.5 1534 872 A 84 LYS HBx A 87 ARG H 1.0 2.4 4.5 1535 873 A 85 ALA HB% A 85 ALA H 1.0 2.0 3.6 1536 874 A 86 LYS HA A 87 ARG H 1.0 2.7 5.0 1537 875 A 87 ARG H A 87 ARG HBx 1.0 2.0 3.6 1538 875 A 87 ARG H A 87 ARG HBy 1.0 2.0 3.6 1539 876 A 88 ASP H A 87 ARG HBx 1.0 2.9 5.5 1540 876 A 88 ASP H A 87 ARG HBy 1.0 2.9 5.5 1541 877 A 88 ASP H A 88 ASP HA 1.0 2.8 5.3 1542 878 A 89 GLU H A 88 ASP HA 1.0 3.2 6.0 1543 879 A 88 ASP HBy A 88 ASP H 1.0 2.2 4.1 1544 879 A 88 ASP HBx A 88 ASP H 1.0 2.2 4.1 1545 880 A 89 GLU H A 89 GLU HA 1.0 3.0 5.6 1546 881 A 89 GLU H A 89 GLU HBy 1.0 2.1 3.9 1547 881 A 89 GLU H A 89 GLU HBx 1.0 2.1 3.9 1548 882 A 89 GLU H A 89 GLU HGy 1.0 2.9 5.3 1549 882 A 89 GLU H A 89 GLU HGx 1.0 2.9 5.3 1550 883 A 90 PRO HBy A 91 LYS H 1.0 2.9 5.4 1551 883 A 90 PRO HBx A 91 LYS H 1.0 2.9 5.4 1552 884 A 91 LYS H A 91 LYS HGx 1.0 2.8 5.2 1553 884 A 91 LYS H A 91 LYS HGy 1.0 2.8 5.2 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 8 LEU H A 4 THR O 1.0 1.9 2.5 2 2 A 4 THR O A 8 LEU N 1.0 2.8 3.4 3 3 A 9 ALA H A 5 ARG O 1.0 1.9 2.5 4 4 A 5 ARG O A 9 ALA N 1.0 2.8 3.4 5 5 A 10 ARG H A 6 CYS O 1.0 1.9 2.5 6 6 A 6 CYS O A 10 ARG N 1.0 2.8 3.4 7 7 A 11 TYR H A 7 LYS O 1.0 1.9 2.5 8 8 A 7 LYS O A 11 TYR N 1.0 2.8 3.4 9 9 A 12 LEU H A 8 LEU O 1.0 1.9 2.5 10 10 A 8 LEU O A 12 LEU N 1.0 2.8 3.4 11 11 A 13 GLU H A 9 ALA O 1.0 1.9 2.5 12 12 A 9 ALA O A 13 GLU N 1.0 2.8 3.4 13 13 A 21 LYS H A 17 ASP O 1.0 1.9 2.5 14 14 A 17 ASP O A 21 LYS N 1.0 2.8 3.4 15 15 A 22 LYS H A 18 VAL O 1.0 1.9 2.5 16 16 A 18 VAL O A 22 LYS N 1.0 2.8 3.4 17 17 A 23 PHE H A 19 ASP O 1.0 1.9 2.5 18 18 A 19 ASP O A 23 PHE N 1.0 2.8 3.4 19 19 A 24 LYS H A 20 LEU O 1.0 1.9 2.5 20 20 A 20 LEU O A 24 LYS N 1.0 2.8 3.4 21 21 A 25 MET H A 21 LYS O 1.0 1.9 2.5 22 22 A 21 LYS O A 25 MET N 1.0 2.8 3.4 23 23 A 26 HIS H A 22 LYS O 1.0 1.9 2.5 24 24 A 22 LYS O A 26 HIS N 1.0 2.8 3.4 25 25 A 27 LEU H A 23 PHE O 1.0 1.9 2.5 26 26 A 23 PHE O A 27 LEU N 1.0 2.8 3.4 27 27 A 45 GLU H A 41 ARG O 1.0 1.9 2.5 28 28 A 41 ARG O A 45 GLU N 1.0 2.8 3.4 29 29 A 53 ALA H A 49 HIS O 1.0 1.9 2.5 30 30 A 49 HIS O A 53 ALA N 1.0 2.8 3.4 31 31 A 54 THR H A 50 VAL O 1.0 1.9 2.5 32 32 A 50 VAL O A 54 THR N 1.0 2.8 3.4 33 33 A 55 LEU H A 51 ASP O 1.0 1.9 2.5 34 34 A 51 ASP O A 55 LEU N 1.0 2.8 3.4 35 35 A 56 MET H A 52 LEU O 1.0 1.9 2.5 36 36 A 52 LEU O A 56 MET N 1.0 2.8 3.4 37 37 A 57 ILE H A 53 ALA O 1.0 1.9 2.5 38 38 A 53 ALA O A 57 ILE N 1.0 2.8 3.4 39 39 A 58 ASP H A 54 THR O 1.0 1.9 2.5 40 40 A 54 THR O A 58 ASP N 1.0 2.8 3.4 41 41 A 59 PHE H A 55 LEU O 1.0 1.9 2.5 42 42 A 55 LEU O A 59 PHE N 1.0 2.8 3.4 43 43 A 66 TRP H A 62 GLU O 1.0 1.9 2.5 44 44 A 62 GLU O A 66 TRP N 1.0 2.8 3.4 45 45 A 67 ALA H A 63 GLU O 1.0 1.9 2.5 46 46 A 63 GLU O A 67 ALA N 1.0 2.8 3.4 47 47 A 68 MET H A 64 LYS O 1.0 1.9 2.5 48 48 A 64 LYS O A 68 MET N 1.0 2.8 3.4 49 49 A 69 ALA H A 65 ALA O 1.0 1.9 2.5 50 50 A 65 ALA O A 69 ALA N 1.0 2.8 3.4 51 51 A 70 VAL H A 66 TRP O 1.0 1.9 2.5 52 52 A 66 TRP O A 70 VAL N 1.0 2.8 3.4 53 53 A 71 TRP H A 67 ALA O 1.0 1.9 2.5 54 54 A 67 ALA O A 71 TRP N 1.0 2.8 3.4 55 55 A 72 ILE H A 68 MET O 1.0 1.9 2.5 56 56 A 68 MET O A 72 ILE N 1.0 2.8 3.4 57 57 A 74 ALA H A 70 VAL O 1.0 1.9 2.5 58 58 A 70 VAL O A 74 ALA N 1.0 2.8 3.4 59 59 A 83 GLU H A 79 ARG O 1.0 1.9 2.5 60 60 A 79 ARG O A 83 GLU N 1.0 2.8 3.4 61 61 A 84 LYS H A 80 ASP O 1.0 1.9 2.5 62 62 A 80 ASP O A 84 LYS N 1.0 2.8 3.4 63 63 A 85 ALA H A 81 LEU O 1.0 1.9 2.5 64 64 A 81 LEU O A 85 ALA N 1.0 2.8 3.4 65 65 A 86 LYS H A 82 TYR O 1.0 1.9 2.5 66 66 A 82 TYR O A 86 LYS N 1.0 2.8 3.4 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 ALA N A 2 ALA CA A 2 ALA C 1.0 -165.21 -10.05 PHI 2 2 A 2 ALA C A 3 SER N A 3 SER CA A 3 SER C 1.0 -123.57 -70.07 PHI 3 3 A 3 SER C A 4 THR N A 4 THR CA A 4 THR C 1.0 -87.66 -47.70 PHI 4 4 A 4 THR C A 5 ARG N A 5 ARG CA A 5 ARG C 1.0 -70.78 -50.78 PHI 5 5 A 5 ARG C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -77.85 -57.85 PHI 6 6 A 6 CYS C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -73.63 -53.63 PHI 7 7 A 7 LYS C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -73.37 -53.37 PHI 8 8 A 8 LEU C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -71.48 -51.48 PHI 9 9 A 9 ALA C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -74.10 -54.10 PHI 10 10 A 10 ARG C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -77.04 -54.08 PHI 11 11 A 11 TYR C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -72.98 -52.98 PHI 12 12 A 12 LEU C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -80.22 -60.22 PHI 13 13 A 13 GLU C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -95.30 -61.98 PHI 14 14 A 15 LEU C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -129.18 -65.54 PHI 15 15 A 16 GLU C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -69.62 -49.62 PHI 16 16 A 17 ASP C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -71.31 -51.31 PHI 17 17 A 18 VAL C A 19 ASP N A 19 ASP CA A 19 ASP C 1.0 -72.72 -52.72 PHI 18 18 A 19 ASP C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -73.71 -53.71 PHI 19 19 A 20 LEU C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -75.20 -55.20 PHI 20 20 A 21 LYS C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -75.15 -55.15 PHI 21 21 A 22 LYS C A 23 PHE N A 23 PHE CA A 23 PHE C 1.0 -77.27 -57.27 PHI 22 22 A 23 PHE C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -72.16 -52.16 PHI 23 23 A 24 LYS C A 25 MET N A 25 MET CA A 25 MET C 1.0 -71.68 -51.68 PHI 24 24 A 25 MET C A 26 HIS N A 26 HIS CA A 26 HIS C 1.0 -69.01 -49.01 PHI 25 25 A 26 HIS C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -73.89 -53.89 PHI 26 26 A 27 LEU C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -85.83 -65.83 PHI 27 27 A 29 ASP C A 30 TYR N A 30 TYR CA A 30 TYR C 1.0 -76.22 -56.22 PHI 28 28 A 30 TYR C A 31 PRO N A 31 PRO CA A 31 PRO C 1.0 -77.73 -57.73 PHI 29 29 A 31 PRO C A 32 PRO N A 32 PRO CA A 32 PRO C 1.0 -74.03 -54.03 PHI 30 30 A 32 PRO C A 33 GLN N A 33 GLN CA A 33 GLN C 1.0 -111.41 -58.39 PHI 31 31 A 35 GLY C A 36 CYS N A 36 CYS CA A 36 CYS C 1.0 -167.77 -40.23 PHI 32 32 A 36 CYS C A 37 ILE N A 37 ILE CA A 37 ILE C 1.0 -127.58 -84.34 PHI 33 33 A 37 ILE C A 38 PRO N A 38 PRO CA A 38 PRO C 1.0 -80.63 -57.83 PHI 34 34 A 38 PRO C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -111.10 -71.88 PHI 35 35 A 39 LEU C A 40 PRO N A 40 PRO CA A 40 PRO C 1.0 -71.44 -51.44 PHI 36 36 A 40 PRO C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -64.08 -44.08 PHI 37 37 A 41 ARG C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 -68.60 -48.60 PHI 38 38 A 42 GLY C A 43 GLN N A 43 GLN CA A 43 GLN C 1.0 -74.81 -54.81 PHI 39 39 A 43 GLN C A 44 THR N A 44 THR CA A 44 THR C 1.0 -75.02 -55.02 PHI 40 40 A 44 THR C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -73.45 -53.45 PHI 41 41 A 45 GLU C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -91.02 -71.02 PHI 42 42 A 47 ALA C A 48 ASP N A 48 ASP CA A 48 ASP C 1.0 -126.36 -80.62 PHI 43 43 A 48 ASP C A 49 HIS N A 49 HIS CA A 49 HIS C 1.0 -68.03 -48.03 PHI 44 44 A 49 HIS C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -75.68 -55.68 PHI 45 45 A 50 VAL C A 51 ASP N A 51 ASP CA A 51 ASP C 1.0 -71.52 -51.52 PHI 46 46 A 51 ASP C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -74.47 -54.47 PHI 47 47 A 52 LEU C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -72.04 -52.04 PHI 48 48 A 53 ALA C A 54 THR N A 54 THR CA A 54 THR C 1.0 -77.48 -57.48 PHI 49 49 A 54 THR C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -70.44 -50.44 PHI 50 50 A 55 LEU C A 56 MET N A 56 MET CA A 56 MET C 1.0 -71.16 -51.16 PHI 51 51 A 56 MET C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -77.67 -57.67 PHI 52 52 A 57 ILE C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -74.55 -54.55 PHI 53 53 A 58 ASP C A 59 PHE N A 59 PHE CA A 59 PHE C 1.0 -88.97 -62.13 PHI 54 54 A 59 PHE C A 60 ASN N A 60 ASN CA A 60 ASN C 1.0 -129.67 -93.61 PHI 55 55 A 61 GLY C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -70.52 -50.52 PHI 56 56 A 62 GLU C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -71.37 -51.37 PHI 57 57 A 63 GLU C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -73.16 -53.16 PHI 58 58 A 64 LYS C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -73.83 -53.83 PHI 59 59 A 65 ALA C A 66 TRP N A 66 TRP CA A 66 TRP C 1.0 -74.10 -54.10 PHI 60 60 A 66 TRP C A 67 ALA N A 67 ALA CA A 67 ALA C 1.0 -72.75 -52.75 PHI 61 61 A 67 ALA C A 68 MET N A 68 MET CA A 68 MET C 1.0 -75.46 -55.46 PHI 62 62 A 68 MET C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -72.24 -52.24 PHI 63 63 A 69 ALA C A 70 VAL N A 70 VAL CA A 70 VAL C 1.0 -75.52 -55.52 PHI 64 64 A 70 VAL C A 71 TRP N A 71 TRP CA A 71 TRP C 1.0 -73.12 -53.12 PHI 65 65 A 71 TRP C A 72 ILE N A 72 ILE CA A 72 ILE C 1.0 -71.50 -51.50 PHI 66 66 A 72 ILE C A 73 PHE N A 73 PHE CA A 73 PHE C 1.0 -77.67 -57.67 PHI 67 67 A 73 PHE C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -76.75 -56.75 PHI 68 68 A 74 ALA C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -72.51 -52.51 PHI 69 69 A 75 ALA C A 76 ILE N A 76 ILE CA A 76 ILE C 1.0 -106.67 -71.23 PHI 70 70 A 78 ARG C A 79 ARG N A 79 ARG CA A 79 ARG C 1.0 -67.71 -47.71 PHI 71 71 A 79 ARG C A 80 ASP N A 80 ASP CA A 80 ASP C 1.0 -74.03 -54.03 PHI 72 72 A 80 ASP C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -78.10 -58.10 PHI 73 73 A 81 LEU C A 82 TYR N A 82 TYR CA A 82 TYR C 1.0 -75.59 -55.59 PHI 74 74 A 82 TYR C A 83 GLU N A 83 GLU CA A 83 GLU C 1.0 -72.41 -52.41 PHI 75 75 A 83 GLU C A 84 LYS N A 84 LYS CA A 84 LYS C 1.0 -74.25 -54.25 PHI 76 76 A 84 LYS C A 85 ALA N A 85 ALA CA A 85 ALA C 1.0 -73.94 -53.94 PHI 77 77 A 85 ALA C A 86 LYS N A 86 LYS CA A 86 LYS C 1.0 -70.38 -50.38 PHI 78 78 A 86 LYS C A 87 ARG N A 87 ARG CA A 87 ARG C 1.0 -87.62 -64.16 PHI 79 79 A 87 ARG C A 88 ASP N A 88 ASP CA A 88 ASP C 1.0 -98.59 -78.59 PHI 80 80 A 88 ASP C A 89 GLU N A 89 GLU CA A 89 GLU C 1.0 -116.73 -56.69 PHI 81 81 A 89 GLU C A 90 PRO N A 90 PRO CA A 90 PRO C 1.0 -76.76 -56.76 PHI 82 82 A 2 ALA N A 2 ALA CA A 2 ALA C A 3 SER N 1.0 97.53 178.13 PSI 83 83 A 3 SER N A 3 SER CA A 3 SER C A 4 THR N 1.0 132.11 173.09 PSI 84 84 A 4 THR N A 4 THR CA A 4 THR C A 5 ARG N 1.0 -46.83 -7.49 PSI 85 85 A 5 ARG N A 5 ARG CA A 5 ARG C A 6 CYS N 1.0 -50.96 -30.96 PSI 86 86 A 6 CYS N A 6 CYS CA A 6 CYS C A 7 LYS N 1.0 -43.87 -23.87 PSI 87 87 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 LEU N 1.0 -51.99 -31.99 PSI 88 88 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 ALA N 1.0 -53.62 -33.62 PSI 89 89 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 ARG N 1.0 -48.65 -27.77 PSI 90 90 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 TYR N 1.0 -55.26 -34.66 PSI 91 91 A 11 TYR N A 11 TYR CA A 11 TYR C A 12 LEU N 1.0 -55.02 -34.56 PSI 92 92 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 GLU N 1.0 -52.67 -27.09 PSI 93 93 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 ASP N 1.0 -42.83 -18.83 PSI 94 94 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 LEU N 1.0 -19.24 0.76 PSI 95 95 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 ASP N 1.0 101.62 173.20 PSI 96 96 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 VAL N 1.0 -47.17 -27.17 PSI 97 97 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 ASP N 1.0 -52.74 -32.74 PSI 98 98 A 19 ASP N A 19 ASP CA A 19 ASP C A 20 LEU N 1.0 -49.74 -29.74 PSI 99 99 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 LYS N 1.0 -51.61 -31.61 PSI 100 100 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 LYS N 1.0 -52.76 -32.76 PSI 101 101 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 PHE N 1.0 -48.42 -28.42 PSI 102 102 A 23 PHE N A 23 PHE CA A 23 PHE C A 24 LYS N 1.0 -54.56 -34.56 PSI 103 103 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 MET N 1.0 -52.46 -32.46 PSI 104 104 A 25 MET N A 25 MET CA A 25 MET C A 26 HIS N 1.0 -54.53 -34.53 PSI 105 105 A 26 HIS N A 26 HIS CA A 26 HIS C A 27 LEU N 1.0 -51.55 -31.55 PSI 106 106 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 GLU N 1.0 -52.33 -32.33 PSI 107 107 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 ASP N 1.0 -43.29 -14.87 PSI 108 108 A 30 TYR N A 30 TYR CA A 30 TYR C A 31 PRO N 1.0 120.31 140.93 PSI 109 109 A 31 PRO N A 31 PRO CA A 31 PRO C A 32 PRO N 1.0 123.54 171.86 PSI 110 110 A 32 PRO N A 32 PRO CA A 32 PRO C A 33 GLN N 1.0 133.31 153.31 PSI 111 111 A 33 GLN N A 33 GLN CA A 33 GLN C A 34 LYS N 1.0 -44.23 22.09 PSI 112 112 A 36 CYS N A 36 CYS CA A 36 CYS C A 37 ILE N 1.0 116.48 150.40 PSI 113 113 A 37 ILE N A 37 ILE CA A 37 ILE C A 38 PRO N 1.0 97.56 141.96 PSI 114 114 A 38 PRO N A 38 PRO CA A 38 PRO C A 39 LEU N 1.0 138.11 159.21 PSI 115 115 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 PRO N 1.0 120.53 165.71 PSI 116 116 A 40 PRO N A 40 PRO CA A 40 PRO C A 41 ARG N 1.0 133.97 153.97 PSI 117 117 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 GLY N 1.0 -52.16 -32.16 PSI 118 118 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 GLN N 1.0 -49.33 -25.35 PSI 119 119 A 43 GLN N A 43 GLN CA A 43 GLN C A 44 THR N 1.0 -51.63 -31.63 PSI 120 120 A 44 THR N A 44 THR CA A 44 THR C A 45 GLU N 1.0 -55.32 -35.32 PSI 121 121 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 LYS N 1.0 -52.12 -28.66 PSI 122 122 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 ALA N 1.0 -54.39 -10.19 PSI 123 123 A 48 ASP N A 48 ASP CA A 48 ASP C A 49 HIS N 1.0 113.16 211.32 PSI 124 124 A 49 HIS N A 49 HIS CA A 49 HIS C A 50 VAL N 1.0 -49.27 -29.27 PSI 125 125 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 ASP N 1.0 -52.38 -32.38 PSI 126 126 A 51 ASP N A 51 ASP CA A 51 ASP C A 52 LEU N 1.0 -54.54 -34.54 PSI 127 127 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 ALA N 1.0 -51.06 -31.06 PSI 128 128 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 THR N 1.0 -49.08 -29.08 PSI 129 129 A 54 THR N A 54 THR CA A 54 THR C A 55 LEU N 1.0 -53.03 -33.03 PSI 130 130 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 MET N 1.0 -55.32 -35.32 PSI 131 131 A 56 MET N A 56 MET CA A 56 MET C A 57 ILE N 1.0 -51.15 -31.15 PSI 132 132 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 ASP N 1.0 -50.07 -30.07 PSI 133 133 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 PHE N 1.0 -51.92 -31.88 PSI 134 134 A 59 PHE N A 59 PHE CA A 59 PHE C A 60 ASN N 1.0 -40.69 -13.17 PSI 135 135 A 60 ASN N A 60 ASN CA A 60 ASN C A 61 GLY N 1.0 -25.97 -1.37 PSI 136 136 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 GLU N 1.0 -51.41 -31.41 PSI 137 137 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 LYS N 1.0 -52.55 -32.55 PSI 138 138 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 ALA N 1.0 -53.42 -33.42 PSI 139 139 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 TRP N 1.0 -55.52 -35.52 PSI 140 140 A 66 TRP N A 66 TRP CA A 66 TRP C A 67 ALA N 1.0 -55.29 -35.29 PSI 141 141 A 67 ALA N A 67 ALA CA A 67 ALA C A 68 MET N 1.0 -49.38 -29.38 PSI 142 142 A 68 MET N A 68 MET CA A 68 MET C A 69 ALA N 1.0 -52.74 -32.74 PSI 143 143 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 VAL N 1.0 -49.49 -29.49 PSI 144 144 A 70 VAL N A 70 VAL CA A 70 VAL C A 71 TRP N 1.0 -55.05 -35.05 PSI 145 145 A 71 TRP N A 71 TRP CA A 71 TRP C A 72 ILE N 1.0 -50.36 -30.36 PSI 146 146 A 72 ILE N A 72 ILE CA A 72 ILE C A 73 PHE N 1.0 -54.38 -34.38 PSI 147 147 A 73 PHE N A 73 PHE CA A 73 PHE C A 74 ALA N 1.0 -46.71 -26.71 PSI 148 148 A 74 ALA N A 74 ALA CA A 74 ALA C A 75 ALA N 1.0 -48.46 -28.46 PSI 149 149 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 ILE N 1.0 -46.16 -26.16 PSI 150 150 A 76 ILE N A 76 ILE CA A 76 ILE C A 77 ASN N 1.0 -17.28 18.58 PSI 151 151 A 79 ARG N A 79 ARG CA A 79 ARG C A 80 ASP N 1.0 -55.16 -29.42 PSI 152 152 A 80 ASP N A 80 ASP CA A 80 ASP C A 81 LEU N 1.0 -53.84 -14.26 PSI 153 153 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 TYR N 1.0 -47.97 -27.97 PSI 154 154 A 82 TYR N A 82 TYR CA A 82 TYR C A 83 GLU N 1.0 -54.44 -34.44 PSI 155 155 A 83 GLU N A 83 GLU CA A 83 GLU C A 84 LYS N 1.0 -51.23 -31.23 PSI 156 156 A 84 LYS N A 84 LYS CA A 84 LYS C A 85 ALA N 1.0 -52.80 -32.80 PSI 157 157 A 85 ALA N A 85 ALA CA A 85 ALA C A 86 LYS N 1.0 -49.12 -29.12 PSI 158 158 A 86 LYS N A 86 LYS CA A 86 LYS C A 87 ARG N 1.0 -49.16 -29.16 PSI 159 159 A 87 ARG N A 87 ARG CA A 87 ARG C A 88 ASP N 1.0 -40.21 -8.57 PSI 160 160 A 88 ASP N A 88 ASP CA A 88 ASP C A 89 GLU N 1.0 -35.51 -3.49 PSI 161 161 A 89 GLU N A 89 GLU CA A 89 GLU C A 90 PRO N 1.0 106.57 159.45 PSI 162 162 A 90 PRO N A 90 PRO CA A 90 PRO C A 91 LYS N 1.0 141.13 161.13 PSI stop_ save_