data_nef_c30193_5tn0 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 30192 BMRB 30194 PDB 5TN0 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 ILE middle . . 3 A 3 GLY middle . false 4 A 4 GLN middle . . 5 A 5 ARG middle . . 6 A 6 ILE middle . . 7 A 7 LYS middle . . 8 A 8 GLN middle . . 9 A 9 TYR middle . . 10 A 10 ARG middle . . 11 A 11 LYS middle . . 12 A 12 GLU middle . . 13 A 13 LYS middle . . 14 A 14 GLY middle . false 15 A 15 TYR middle . . 16 A 16 SER middle . . 17 A 17 LEU middle . . 18 A 18 SER middle . . 19 A 19 GLU middle . . 20 A 20 LEU middle . . 21 A 21 ALA middle . . 22 A 22 GLU middle . . 23 A 23 LYS middle . . 24 A 24 ALA middle . . 25 A 25 GLY middle . false 26 A 26 VAL middle . . 27 A 27 ALA middle . . 28 A 28 LYS middle . . 29 A 29 SER middle . . 30 A 30 TYR middle . . 31 A 31 LEU middle . . 32 A 32 SER middle . . 33 A 33 SER middle . . 34 A 34 ILE middle . . 35 A 35 GLU middle . . 36 A 36 ARG middle . . 37 A 37 ASN middle . . 38 A 38 LEU middle . . 39 A 39 GLN middle . . 40 A 40 THR middle . . 41 A 41 ASN middle . . 42 A 42 PRO middle . false 43 A 43 SER middle . . 44 A 44 ILE middle . . 45 A 45 GLN middle . . 46 A 46 PHE middle . . 47 A 47 LEU middle . . 48 A 48 GLU middle . . 49 A 49 LYS middle . . 50 A 50 VAL middle . . 51 A 51 SER middle . . 52 A 52 ALA middle . . 53 A 53 VAL middle . . 54 A 54 LEU middle . . 55 A 55 ASP middle . . 56 A 56 VAL middle . . 57 A 57 SER middle . . 58 A 58 VAL middle . . 59 A 59 HIS middle . . 60 A 60 THR middle . . 61 A 61 LEU middle . . 62 A 62 LEU middle . . 63 A 63 ASP middle . . 64 A 64 GLU middle . . 65 A 65 LYS middle . . 66 A 66 HIS middle . . 67 A 67 GLU middle . . 68 A 68 THR middle . . 69 A 69 GLU end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ILE HA H 1 4.2130 0.04 A 2 ILE HB H 1 2.0970 0.04 A 2 ILE HD1% H 1 1.1080 0.04 A 2 ILE HG12 H 1 1.3800 0.04 A 2 ILE HG13 H 1 1.8220 0.04 A 2 ILE HG2% H 1 1.0950 0.04 A 2 ILE C C 13 177.0520 0.4 A 2 ILE CA C 13 65.6840 0.4 A 2 ILE CB C 13 39.7830 0.4 A 2 ILE CD1 C 13 16.1630 0.4 A 2 ILE CG1 C 13 30.6400 0.4 A 2 ILE CG2 C 13 18.8320 0.4 A 3 GLY H H 1 9.0330 0.04 A 3 GLY HA2 H 1 3.6280 0.04 A 3 GLY HA3 H 1 4.4510 0.04 A 3 GLY C C 13 175.1520 0.4 A 3 GLY CA C 13 50.3320 0.4 A 3 GLY N N 15 110.0150 0.4 A 4 GLN H H 1 7.6040 0.04 A 4 GLN HA H 1 4.2600 0.04 A 4 GLN HB2 H 1 2.3390 0.04 A 4 GLN HB3 H 1 2.3720 0.04 A 4 GLN HG2 H 1 2.6240 0.04 A 4 GLN HG3 H 1 2.6450 0.04 A 4 GLN C C 13 178.4660 0.4 A 4 GLN CA C 13 59.9570 0.4 A 4 GLN CB C 13 29.6360 0.4 A 4 GLN CG C 13 35.4620 0.4 A 4 GLN N N 15 119.0990 0.4 A 5 ARG H H 1 7.7690 0.04 A 5 ARG HA H 1 4.2520 0.04 A 5 ARG HB2 H 1 1.9710 0.04 A 5 ARG HB3 H 1 2.3580 0.04 A 5 ARG HD2 H 1 3.4290 0.04 A 5 ARG HD3 H 1 3.4940 0.04 A 5 ARG HG2 H 1 1.8940 0.04 A 5 ARG HG3 H 1 2.0530 0.04 A 5 ARG C C 13 177.7280 0.4 A 5 ARG CA C 13 60.3130 0.4 A 5 ARG CB C 13 31.5660 0.4 A 5 ARG CD C 13 44.6510 0.4 A 5 ARG CG C 13 29.4220 0.4 A 5 ARG N N 15 120.3390 0.4 A 6 ILE H H 1 8.3990 0.04 A 6 ILE HA H 1 3.6050 0.04 A 6 ILE HB H 1 2.0720 0.04 A 6 ILE HD1% H 1 1.0400 0.04 A 6 ILE HG12 H 1 1.0440 0.04 A 6 ILE HG13 H 1 2.0640 0.04 A 6 ILE HG2% H 1 1.1240 0.04 A 6 ILE C C 13 176.2590 0.4 A 6 ILE CA C 13 68.1530 0.4 A 6 ILE CB C 13 39.2390 0.4 A 6 ILE CD1 C 13 15.2890 0.4 A 6 ILE CG1 C 13 31.7340 0.4 A 6 ILE CG2 C 13 17.8910 0.4 A 6 ILE N N 15 119.4690 0.4 A 7 LYS H H 1 7.9650 0.04 A 7 LYS HA H 1 4.0950 0.04 A 7 LYS HB3 H 1 1.9810 0.04 A 7 LYS HD3 H 1 1.8400 0.04 A 7 LYS HE3 H 1 3.0800 0.04 A 7 LYS HG2 H 1 1.4530 0.04 A 7 LYS HG3 H 1 1.6400 0.04 A 7 LYS C C 13 176.6710 0.4 A 7 LYS CA C 13 61.7370 0.4 A 7 LYS CB C 13 34.4120 0.4 A 7 LYS CD C 13 31.4830 0.4 A 7 LYS CE C 13 43.3660 0.4 A 7 LYS CG C 13 26.5020 0.4 A 7 LYS N N 15 119.7870 0.4 A 8 GLN H H 1 8.0520 0.04 A 8 GLN HA H 1 4.0480 0.04 A 8 GLN HB2 H 1 2.0590 0.04 A 8 GLN HB3 H 1 2.2590 0.04 A 8 GLN HG2 H 1 2.0510 0.04 A 8 GLN HG3 H 1 2.3510 0.04 A 8 GLN C C 13 179.0180 0.4 A 8 GLN CA C 13 60.3360 0.4 A 8 GLN CB C 13 29.3570 0.4 A 8 GLN CG C 13 33.9990 0.4 A 8 GLN N N 15 118.4940 0.4 A 9 TYR H H 1 8.4130 0.04 A 9 TYR HA H 1 4.4690 0.04 A 9 TYR HB2 H 1 2.9650 0.04 A 9 TYR HB3 H 1 3.2040 0.04 A 9 TYR HDx H 1 7.2980 0.04 A 9 TYR HDy H 1 7.2980 0.04 A 9 TYR HEx H 1 6.8220 0.04 A 9 TYR HEy H 1 6.8220 0.04 A 9 TYR C C 13 178.2290 0.4 A 9 TYR CA C 13 63.4790 0.4 A 9 TYR CB C 13 39.5620 0.4 A 9 TYR CD1 C 13 134.3980 0.4 A 9 TYR CD2 C 13 134.3980 0.4 A 9 TYR CE1 C 13 119.3360 0.4 A 9 TYR CE2 C 13 119.3360 0.4 A 9 TYR N N 15 118.5980 0.4 A 10 ARG H H 1 9.3240 0.04 A 10 ARG HA H 1 4.1390 0.04 A 10 ARG HB2 H 1 2.2100 0.04 A 10 ARG HB3 H 1 2.3730 0.04 A 10 ARG HD2 H 1 3.0580 0.04 A 10 ARG HD3 H 1 3.0900 0.04 A 10 ARG HG2 H 1 1.6280 0.04 A 10 ARG HG3 H 1 1.9360 0.04 A 10 ARG C C 13 178.2390 0.4 A 10 ARG CA C 13 62.2240 0.4 A 10 ARG CB C 13 30.5180 0.4 A 10 ARG CD C 13 43.5770 0.4 A 10 ARG CG C 13 30.3920 0.4 A 10 ARG N N 15 122.6610 0.4 A 11 LYS H H 1 8.4680 0.04 A 11 LYS HA H 1 4.2510 0.04 A 11 LYS HB2 H 1 2.0830 0.04 A 11 LYS HB3 H 1 2.0520 0.04 A 11 LYS HD2 H 1 1.5920 0.04 A 11 LYS HD3 H 1 1.8550 0.04 A 11 LYS HE3 H 1 3.1000 0.04 A 11 LYS HG2 H 1 1.5750 0.04 A 11 LYS HG3 H 1 1.8640 0.04 A 11 LYS C C 13 180.3930 0.4 A 11 LYS CA C 13 60.8310 0.4 A 11 LYS CB C 13 32.8310 0.4 A 11 LYS CD C 13 30.5410 0.4 A 11 LYS CE C 13 43.0530 0.4 A 11 LYS CG C 13 27.0830 0.4 A 11 LYS N N 15 120.5500 0.4 A 12 GLU H H 1 8.1770 0.04 A 12 GLU HA H 1 4.1430 0.04 A 12 GLU HB3 H 1 2.3130 0.04 A 12 GLU HG2 H 1 2.4110 0.04 A 12 GLU HG3 H 1 2.6010 0.04 A 12 GLU C C 13 178.3420 0.4 A 12 GLU CA C 13 60.6550 0.4 A 12 GLU CB C 13 30.8000 0.4 A 12 GLU CG C 13 37.5930 0.4 A 12 GLU N N 15 121.2890 0.4 A 13 LYS H H 1 7.5730 0.04 A 13 LYS HA H 1 4.2550 0.04 A 13 LYS HB2 H 1 1.4960 0.04 A 13 LYS HB3 H 1 1.7500 0.04 A 13 LYS HD2 H 1 1.7850 0.04 A 13 LYS HD3 H 1 2.0030 0.04 A 13 LYS HE2 H 1 3.1200 0.04 A 13 LYS HE3 H 1 3.1830 0.04 A 13 LYS HG2 H 1 1.5800 0.04 A 13 LYS HG3 H 1 1.7170 0.04 A 13 LYS C C 13 176.2250 0.4 A 13 LYS CA C 13 56.8300 0.4 A 13 LYS CB C 13 34.1550 0.4 A 13 LYS CD C 13 29.7150 0.4 A 13 LYS CE C 13 43.3180 0.4 A 13 LYS CG C 13 26.7540 0.4 A 13 LYS N N 15 116.5180 0.4 A 14 GLY H H 1 7.8560 0.04 A 14 GLY HA2 H 1 3.8730 0.04 A 14 GLY HA3 H 1 4.1270 0.04 A 14 GLY C C 13 174.3630 0.4 A 14 GLY CA C 13 46.9610 0.4 A 14 GLY N N 15 107.6310 0.4 A 15 TYR H H 1 7.5730 0.04 A 15 TYR HA H 1 5.3630 0.04 A 15 TYR HB2 H 1 2.8300 0.04 A 15 TYR HB3 H 1 3.3660 0.04 A 15 TYR HDx H 1 6.9930 0.04 A 15 TYR HDy H 1 6.9930 0.04 A 15 TYR HEx H 1 6.8850 0.04 A 15 TYR HEy H 1 6.8850 0.04 A 15 TYR C C 13 177.0260 0.4 A 15 TYR CA C 13 56.2350 0.4 A 15 TYR CB C 13 41.6400 0.4 A 15 TYR CD1 C 13 132.6970 0.4 A 15 TYR CD2 C 13 132.6970 0.4 A 15 TYR CE1 C 13 121.2800 0.4 A 15 TYR CE2 C 13 121.2800 0.4 A 15 TYR N N 15 118.4400 0.4 A 16 SER H H 1 9.4420 0.04 A 16 SER HA H 1 4.6700 0.04 A 16 SER HB2 H 1 4.6200 0.04 A 16 SER HB3 H 1 4.2200 0.04 A 16 SER C C 13 174.6250 0.4 A 16 SER CA C 13 58.6540 0.4 A 16 SER CB C 13 66.5610 0.4 A 16 SER N N 15 121.4210 0.4 A 17 LEU H H 1 9.0960 0.04 A 17 LEU HA H 1 3.9620 0.04 A 17 LEU HB2 H 1 1.7190 0.04 A 17 LEU HB3 H 1 1.9380 0.04 A 17 LEU HDx% H 1 1.0450 0.04 A 17 LEU HDy% H 1 0.9990 0.04 A 17 LEU HG H 1 1.7080 0.04 A 17 LEU C C 13 178.5650 0.4 A 17 LEU CA C 13 61.3850 0.4 A 17 LEU CB C 13 44.0240 0.4 A 17 LEU CD1 C 13 26.8400 0.4 A 17 LEU CD2 C 13 25.9660 0.4 A 17 LEU CG C 13 29.4320 0.4 A 17 LEU N N 15 124.9270 0.4 A 18 SER H H 1 8.5390 0.04 A 18 SER HA H 1 4.0750 0.04 A 18 SER HB3 H 1 4.0630 0.04 A 18 SER C C 13 176.4390 0.4 A 18 SER CA C 13 63.2670 0.4 A 18 SER CB C 13 63.8700 0.4 A 18 SER N N 15 113.1780 0.4 A 19 GLU H H 1 7.9890 0.04 A 19 GLU HA H 1 4.1830 0.04 A 19 GLU HB2 H 1 2.3660 0.04 A 19 GLU HB3 H 1 1.9090 0.04 A 19 GLU HG2 H 1 2.2540 0.04 A 19 GLU HG3 H 1 2.4100 0.04 A 19 GLU C C 13 178.4900 0.4 A 19 GLU CA C 13 60.5060 0.4 A 19 GLU CB C 13 31.6180 0.4 A 19 GLU CG C 13 38.5810 0.4 A 19 GLU N N 15 122.9220 0.4 A 20 LEU H H 1 8.3270 0.04 A 20 LEU HA H 1 3.9550 0.04 A 20 LEU HB2 H 1 1.3190 0.04 A 20 LEU HB3 H 1 2.0800 0.04 A 20 LEU HDx% H 1 1.0760 0.04 A 20 LEU HDy% H 1 1.0400 0.04 A 20 LEU HG H 1 1.5860 0.04 A 20 LEU C C 13 176.9520 0.4 A 20 LEU CA C 13 59.4430 0.4 A 20 LEU CB C 13 41.9070 0.4 A 20 LEU CD1 C 13 28.7470 0.4 A 20 LEU CD2 C 13 25.0780 0.4 A 20 LEU CG C 13 28.7470 0.4 A 20 LEU N N 15 119.2070 0.4 A 21 ALA H H 1 8.2870 0.04 A 21 ALA HA H 1 3.9670 0.04 A 21 ALA HB% H 1 1.6500 0.04 A 21 ALA C C 13 178.9170 0.4 A 21 ALA CA C 13 57.2260 0.4 A 21 ALA CB C 13 18.5090 0.4 A 21 ALA N N 15 120.6540 0.4 A 22 GLU H H 1 8.1700 0.04 A 22 GLU HA H 1 4.1950 0.04 A 22 GLU HB2 H 1 2.2200 0.04 A 22 GLU HB3 H 1 2.2770 0.04 A 22 GLU HG2 H 1 2.3810 0.04 A 22 GLU HG3 H 1 2.5100 0.04 A 22 GLU C C 13 179.6960 0.4 A 22 GLU CA C 13 60.4870 0.4 A 22 GLU CB C 13 31.1950 0.4 A 22 GLU CG C 13 37.9380 0.4 A 22 GLU N N 15 117.5190 0.4 A 23 LYS H H 1 8.3810 0.04 A 23 LYS HA H 1 4.1500 0.04 A 23 LYS HB2 H 1 1.8460 0.04 A 23 LYS HB3 H 1 1.8720 0.04 A 23 LYS HD2 H 1 1.3120 0.04 A 23 LYS HD3 H 1 1.5920 0.04 A 23 LYS HE3 H 1 2.9700 0.04 A 23 LYS HG2 H 1 1.5850 0.04 A 23 LYS HG3 H 1 1.7080 0.04 A 23 LYS C C 13 177.8680 0.4 A 23 LYS CA C 13 60.3760 0.4 A 23 LYS CB C 13 34.6830 0.4 A 23 LYS CD C 13 30.3110 0.4 A 23 LYS CE C 13 43.3180 0.4 A 23 LYS CG C 13 27.5760 0.4 A 23 LYS N N 15 119.6120 0.4 A 24 ALA H H 1 8.5940 0.04 A 24 ALA HA H 1 4.2750 0.04 A 24 ALA HB% H 1 1.3430 0.04 A 24 ALA C C 13 176.4870 0.4 A 24 ALA CA C 13 53.6450 0.4 A 24 ALA CB C 13 20.5390 0.4 A 24 ALA N N 15 118.7030 0.4 A 25 GLY H H 1 7.9540 0.04 A 25 GLY HA2 H 1 4.0580 0.04 A 25 GLY HA3 H 1 4.0620 0.04 A 25 GLY C C 13 175.1110 0.4 A 25 GLY CA C 13 48.0820 0.4 A 25 GLY N N 15 108.3920 0.4 A 26 VAL H H 1 8.1970 0.04 A 26 VAL HA H 1 4.8820 0.04 A 26 VAL HB H 1 2.5050 0.04 A 26 VAL HGx% H 1 0.9320 0.04 A 26 VAL HGy% H 1 0.9640 0.04 A 26 VAL C C 13 173.9360 0.4 A 26 VAL CA C 13 59.4390 0.4 A 26 VAL CB C 13 36.3930 0.4 A 26 VAL CG1 C 13 19.9990 0.4 A 26 VAL CG2 C 13 22.8780 0.4 A 26 VAL N N 15 112.3760 0.4 A 27 ALA H H 1 8.6960 0.04 A 27 ALA HA H 1 4.5090 0.04 A 27 ALA HB% H 1 1.6500 0.04 A 27 ALA C C 13 179.0790 0.4 A 27 ALA CA C 13 53.6190 0.4 A 27 ALA CB C 13 20.0200 0.4 A 27 ALA N N 15 124.4120 0.4 A 28 LYS H H 1 9.1430 0.04 A 28 LYS HA H 1 3.8450 0.04 A 28 LYS HB3 H 1 1.9840 0.04 A 28 LYS HD3 H 1 1.8470 0.04 A 28 LYS HE3 H 1 3.1150 0.04 A 28 LYS HG3 H 1 1.5020 0.04 A 28 LYS C C 13 178.0580 0.4 A 28 LYS CA C 13 62.0300 0.4 A 28 LYS CB C 13 33.4980 0.4 A 28 LYS CD C 13 31.0300 0.4 A 28 LYS CE C 13 43.2020 0.4 A 28 LYS CG C 13 26.7950 0.4 A 28 LYS N N 15 127.4060 0.4 A 29 SER H H 1 8.9310 0.04 A 29 SER HA H 1 4.2850 0.04 A 29 SER HB3 H 1 4.0700 0.04 A 29 SER C C 13 176.4920 0.4 A 29 SER CA C 13 62.3170 0.4 A 29 SER CB C 13 63.2040 0.4 A 29 SER N N 15 113.8290 0.4 A 30 TYR H H 1 7.0780 0.04 A 30 TYR HA H 1 4.4450 0.04 A 30 TYR HB2 H 1 3.1960 0.04 A 30 TYR HB3 H 1 3.3180 0.04 A 30 TYR HDx H 1 6.9700 0.04 A 30 TYR HDy H 1 6.9700 0.04 A 30 TYR HEx H 1 6.2840 0.04 A 30 TYR HEy H 1 6.2840 0.04 A 30 TYR C C 13 177.2750 0.4 A 30 TYR CA C 13 62.0570 0.4 A 30 TYR CB C 13 40.3510 0.4 A 30 TYR CD1 C 13 134.3980 0.4 A 30 TYR CD2 C 13 134.3980 0.4 A 30 TYR CE1 C 13 119.3360 0.4 A 30 TYR CE2 C 13 119.3360 0.4 A 30 TYR N N 15 125.1630 0.4 A 31 LEU H H 1 8.1850 0.04 A 31 LEU HA H 1 4.1580 0.04 A 31 LEU HB2 H 1 2.1350 0.04 A 31 LEU HB3 H 1 1.6880 0.04 A 31 LEU HDx% H 1 1.2430 0.04 A 31 LEU HDy% H 1 1.1090 0.04 A 31 LEU HG H 1 1.8310 0.04 A 31 LEU C C 13 177.6540 0.4 A 31 LEU CA C 13 59.7040 0.4 A 31 LEU CB C 13 43.2020 0.4 A 31 LEU CD1 C 13 24.6820 0.4 A 31 LEU CD2 C 13 29.1390 0.4 A 31 LEU CG C 13 28.6690 0.4 A 31 LEU N N 15 120.4210 0.4 A 32 SER H H 1 8.8450 0.04 A 32 SER HA H 1 4.1500 0.04 A 32 SER HB3 H 1 4.0820 0.04 A 32 SER C C 13 176.7030 0.4 A 32 SER CA C 13 62.8000 0.4 A 32 SER CB C 13 64.0840 0.4 A 32 SER N N 15 112.8510 0.4 A 33 SER H H 1 7.7850 0.04 A 33 SER HA H 1 4.2000 0.04 A 33 SER HB2 H 1 3.9760 0.04 A 33 SER HB3 H 1 4.0920 0.04 A 33 SER C C 13 176.0160 0.4 A 33 SER CA C 13 63.8870 0.4 A 33 SER CB C 13 63.5630 0.4 A 33 SER N N 15 116.2360 0.4 A 34 ILE H H 1 7.9810 0.04 A 34 ILE HA H 1 4.1580 0.04 A 34 ILE HB H 1 2.1960 0.04 A 34 ILE HD1% H 1 0.2380 0.04 A 34 ILE HG12 H 1 0.8600 0.04 A 34 ILE HG13 H 1 0.9840 0.04 A 34 ILE HG2% H 1 0.9860 0.04 A 34 ILE C C 13 179.6040 0.4 A 34 ILE CA C 13 63.9740 0.4 A 34 ILE CB C 13 37.6920 0.4 A 34 ILE CD1 C 13 12.3030 0.4 A 34 ILE CG1 C 13 28.8040 0.4 A 34 ILE CG2 C 13 18.7550 0.4 A 34 ILE N N 15 124.0180 0.4 A 35 GLU H H 1 8.5460 0.04 A 35 GLU HA H 1 4.0120 0.04 A 35 GLU HB2 H 1 2.0970 0.04 A 35 GLU HB3 H 1 2.2080 0.04 A 35 GLU HG2 H 1 2.2240 0.04 A 35 GLU HG3 H 1 2.6870 0.04 A 35 GLU C C 13 177.6000 0.4 A 35 GLU CA C 13 62.2760 0.4 A 35 GLU CB C 13 31.3440 0.4 A 35 GLU CG C 13 38.6550 0.4 A 35 GLU N N 15 121.5920 0.4 A 36 ARG H H 1 7.7690 0.04 A 36 ARG HA H 1 4.4040 0.04 A 36 ARG HB2 H 1 1.7670 0.04 A 36 ARG HB3 H 1 2.2180 0.04 A 36 ARG HD3 H 1 3.2700 0.04 A 36 ARG HG2 H 1 1.7950 0.04 A 36 ARG HG3 H 1 2.0220 0.04 A 36 ARG C C 13 175.1510 0.4 A 36 ARG CA C 13 57.4890 0.4 A 36 ARG CB C 13 32.0050 0.4 A 36 ARG CD C 13 45.0500 0.4 A 36 ARG CG C 13 30.1320 0.4 A 36 ARG N N 15 115.3550 0.4 A 37 ASN H H 1 8.2170 0.04 A 37 ASN HA H 1 4.5540 0.04 A 37 ASN HB2 H 1 3.0800 0.04 A 37 ASN HB3 H 1 3.1810 0.04 A 37 ASN C C 13 174.0980 0.4 A 37 ASN CA C 13 55.9550 0.4 A 37 ASN CB C 13 38.6270 0.4 A 37 ASN N N 15 115.3810 0.4 A 38 LEU H H 1 8.3030 0.04 A 38 LEU HA H 1 4.4590 0.04 A 38 LEU HB2 H 1 1.7230 0.04 A 38 LEU HB3 H 1 1.8100 0.04 A 38 LEU HDx% H 1 1.0250 0.04 A 38 LEU HDy% H 1 0.9690 0.04 A 38 LEU HG H 1 1.6780 0.04 A 38 LEU C C 13 177.1640 0.4 A 38 LEU CA C 13 57.1320 0.4 A 38 LEU CB C 13 43.3360 0.4 A 38 LEU CD1 C 13 26.4080 0.4 A 38 LEU CD2 C 13 23.7650 0.4 A 38 LEU CG C 13 28.3490 0.4 A 38 LEU N N 15 117.7010 0.4 A 39 GLN H H 1 7.2350 0.04 A 39 GLN HA H 1 4.6330 0.04 A 39 GLN HB2 H 1 1.6800 0.04 A 39 GLN HB3 H 1 1.9310 0.04 A 39 GLN HG2 H 1 2.0720 0.04 A 39 GLN HG3 H 1 2.2440 0.04 A 39 GLN C C 13 174.9740 0.4 A 39 GLN CA C 13 55.7130 0.4 A 39 GLN CB C 13 31.9220 0.4 A 39 GLN CG C 13 35.5840 0.4 A 39 GLN N N 15 118.6650 0.4 A 40 THR H H 1 8.4210 0.04 A 40 THR HA H 1 4.5040 0.04 A 40 THR HB H 1 4.5160 0.04 A 40 THR HG2% H 1 1.2130 0.04 A 40 THR C C 13 173.4300 0.4 A 40 THR CA C 13 62.4880 0.4 A 40 THR CB C 13 71.3210 0.4 A 40 THR CG2 C 13 22.6810 0.4 A 40 THR N N 15 114.3280 0.4 A 41 ASN H H 1 8.7660 0.04 A 41 ASN HA H 1 5.2260 0.04 A 41 ASN HB2 H 1 2.7690 0.04 A 41 ASN HB3 H 1 2.9650 0.04 A 41 ASN C C 13 171.5530 0.4 A 41 ASN CA C 13 53.1980 0.4 A 41 ASN CB C 13 40.5650 0.4 A 41 ASN N N 15 119.7590 0.4 A 42 PRO HA H 1 4.5990 0.04 A 42 PRO HB2 H 1 2.0990 0.04 A 42 PRO HB3 H 1 2.1320 0.04 A 42 PRO HD2 H 1 3.4750 0.04 A 42 PRO HD3 H 1 3.8620 0.04 A 42 PRO HG2 H 1 1.9090 0.04 A 42 PRO HG3 H 1 2.1650 0.04 A 42 PRO C C 13 175.3270 0.4 A 42 PRO CA C 13 63.9250 0.4 A 42 PRO CB C 13 34.1200 0.4 A 42 PRO CD C 13 51.6980 0.4 A 42 PRO CG C 13 29.1390 0.4 A 43 SER H H 1 8.3190 0.04 A 43 SER HA H 1 4.6000 0.04 A 43 SER HB2 H 1 4.2000 0.04 A 43 SER HB3 H 1 4.2380 0.04 A 43 SER C C 13 175.1500 0.4 A 43 SER CA C 13 58.7960 0.4 A 43 SER CB C 13 66.0530 0.4 A 43 SER N N 15 116.3070 0.4 A 44 ILE H H 1 8.8840 0.04 A 44 ILE HA H 1 4.1660 0.04 A 44 ILE HB H 1 2.1000 0.04 A 44 ILE HD1% H 1 1.0630 0.04 A 44 ILE HG12 H 1 1.6250 0.04 A 44 ILE HG13 H 1 1.6550 0.04 A 44 ILE HG2% H 1 1.1240 0.04 A 44 ILE C C 13 177.0640 0.4 A 44 ILE CA C 13 63.9720 0.4 A 44 ILE CB C 13 38.8070 0.4 A 44 ILE CD1 C 13 14.1980 0.4 A 44 ILE CG1 C 13 30.3110 0.4 A 44 ILE CG2 C 13 19.7640 0.4 A 44 ILE N N 15 123.4230 0.4 A 45 GLN H H 1 8.4050 0.04 A 45 GLN HA H 1 4.2780 0.04 A 45 GLN HB2 H 1 2.1430 0.04 A 45 GLN HB3 H 1 2.2580 0.04 A 45 GLN HG3 H 1 2.6110 0.04 A 45 GLN C C 13 178.2670 0.4 A 45 GLN CA C 13 61.1110 0.4 A 45 GLN CB C 13 29.3740 0.4 A 45 GLN CG C 13 35.9970 0.4 A 45 GLN N N 15 120.8920 0.4 A 46 PHE H H 1 7.9180 0.04 A 46 PHE HA H 1 4.2860 0.04 A 46 PHE HB2 H 1 3.4800 0.04 A 46 PHE HB3 H 1 3.5950 0.04 A 46 PHE HDx H 1 7.4200 0.04 A 46 PHE HDy H 1 7.4200 0.04 A 46 PHE HEx H 1 7.2360 0.04 A 46 PHE HEy H 1 7.2360 0.04 A 46 PHE C C 13 176.4660 0.4 A 46 PHE CA C 13 62.5930 0.4 A 46 PHE CB C 13 40.1450 0.4 A 46 PHE CD1 C 13 134.3980 0.4 A 46 PHE CD2 C 13 134.3980 0.4 A 46 PHE CE1 C 13 131.8980 0.4 A 46 PHE CE2 C 13 131.8980 0.4 A 46 PHE N N 15 121.2060 0.4 A 47 LEU H H 1 8.1940 0.04 A 47 LEU HA H 1 3.8650 0.04 A 47 LEU HB2 H 1 1.4520 0.04 A 47 LEU HB3 H 1 2.2920 0.04 A 47 LEU HDx% H 1 1.0630 0.04 A 47 LEU HDy% H 1 1.0380 0.04 A 47 LEU HG H 1 2.1830 0.04 A 47 LEU C C 13 179.5040 0.4 A 47 LEU CA C 13 59.3610 0.4 A 47 LEU CB C 13 43.4940 0.4 A 47 LEU CD1 C 13 27.9670 0.4 A 47 LEU CD2 C 13 24.7450 0.4 A 47 LEU CG C 13 28.5530 0.4 A 47 LEU N N 15 119.3900 0.4 A 48 GLU H H 1 9.1510 0.04 A 48 GLU HA H 1 3.8930 0.04 A 48 GLU HB2 H 1 2.1250 0.04 A 48 GLU HB3 H 1 2.3660 0.04 A 48 GLU HG2 H 1 2.3190 0.04 A 48 GLU HG3 H 1 2.6470 0.04 A 48 GLU C C 13 179.1120 0.4 A 48 GLU CA C 13 61.2950 0.4 A 48 GLU CB C 13 31.1900 0.4 A 48 GLU CG C 13 38.4480 0.4 A 48 GLU N N 15 121.8980 0.4 A 49 LYS H H 1 7.8320 0.04 A 49 LYS HA H 1 4.1900 0.04 A 49 LYS HB2 H 1 1.9050 0.04 A 49 LYS HB3 H 1 2.1400 0.04 A 49 LYS HD3 H 1 1.7500 0.04 A 49 LYS HE2 H 1 3.0580 0.04 A 49 LYS HE3 H 1 3.0960 0.04 A 49 LYS HG2 H 1 1.6350 0.04 A 49 LYS HG3 H 1 1.8430 0.04 A 49 LYS C C 13 179.2590 0.4 A 49 LYS CA C 13 60.7870 0.4 A 49 LYS CB C 13 33.8270 0.4 A 49 LYS CD C 13 30.2740 0.4 A 49 LYS CE C 13 43.5880 0.4 A 49 LYS CG C 13 27.2480 0.4 A 49 LYS N N 15 120.5250 0.4 A 50 VAL H H 1 8.0120 0.04 A 50 VAL HA H 1 3.6080 0.04 A 50 VAL HB H 1 1.7900 0.04 A 50 VAL HGx% H 1 0.5810 0.04 A 50 VAL HGy% H 1 0.7570 0.04 A 50 VAL C C 13 177.3780 0.4 A 50 VAL CA C 13 67.5180 0.4 A 50 VAL CB C 13 33.2410 0.4 A 50 VAL CG1 C 13 23.8660 0.4 A 50 VAL CG2 C 13 23.4840 0.4 A 50 VAL N N 15 116.4300 0.4 A 51 SER H H 1 8.4440 0.04 A 51 SER HA H 1 4.0970 0.04 A 51 SER HB2 H 1 3.8620 0.04 A 51 SER HB3 H 1 3.9700 0.04 A 51 SER C C 13 175.8150 0.4 A 51 SER CA C 13 63.5960 0.4 A 51 SER CB C 13 63.7820 0.4 A 51 SER N N 15 117.2020 0.4 A 52 ALA H H 1 7.4230 0.04 A 52 ALA HA H 1 4.3490 0.04 A 52 ALA HB% H 1 1.6520 0.04 A 52 ALA C C 13 180.1800 0.4 A 52 ALA CA C 13 56.3850 0.4 A 52 ALA CB C 13 19.4630 0.4 A 52 ALA N N 15 122.2380 0.4 A 53 VAL H H 1 7.2510 0.04 A 53 VAL HA H 1 4.0540 0.04 A 53 VAL HB H 1 2.1180 0.04 A 53 VAL HGx% H 1 0.9680 0.04 A 53 VAL HGy% H 1 1.0800 0.04 A 53 VAL C C 13 176.6030 0.4 A 53 VAL CA C 13 65.7080 0.4 A 53 VAL CB C 13 33.4700 0.4 A 53 VAL CG1 C 13 24.4520 0.4 A 53 VAL CG2 C 13 23.7940 0.4 A 53 VAL N N 15 115.8530 0.4 A 54 LEU H H 1 7.8530 0.04 A 54 LEU HA H 1 4.2640 0.04 A 54 LEU HB2 H 1 1.5800 0.04 A 54 LEU HB3 H 1 1.8290 0.04 A 54 LEU HDx% H 1 0.9290 0.04 A 54 LEU HDy% H 1 0.9520 0.04 A 54 LEU HG H 1 2.0100 0.04 A 54 LEU C C 13 174.2710 0.4 A 54 LEU CA C 13 56.1700 0.4 A 54 LEU CB C 13 44.1880 0.4 A 54 LEU CD1 C 13 27.6740 0.4 A 54 LEU CD2 C 13 24.2870 0.4 A 54 LEU CG C 13 27.3810 0.4 A 54 LEU N N 15 117.4400 0.4 A 55 ASP H H 1 7.9690 0.04 A 55 ASP HA H 1 4.4030 0.04 A 55 ASP HB2 H 1 2.6530 0.04 A 55 ASP HB3 H 1 3.2230 0.04 A 55 ASP C C 13 174.4360 0.4 A 55 ASP CA C 13 56.9710 0.4 A 55 ASP CB C 13 41.1510 0.4 A 55 ASP N N 15 116.7790 0.4 A 56 VAL H H 1 7.6750 0.04 A 56 VAL HA H 1 4.6140 0.04 A 56 VAL HB H 1 1.7950 0.04 A 56 VAL HGx% H 1 0.4980 0.04 A 56 VAL HGy% H 1 0.4620 0.04 A 56 VAL C C 13 174.3760 0.4 A 56 VAL CA C 13 60.3260 0.4 A 56 VAL CB C 13 36.7560 0.4 A 56 VAL CG1 C 13 20.1100 0.4 A 56 VAL CG2 C 13 22.2050 0.4 A 56 VAL N N 15 112.2310 0.4 A 57 SER H H 1 8.3420 0.04 A 57 SER HA H 1 4.6020 0.04 A 57 SER HB2 H 1 4.0500 0.04 A 57 SER HB3 H 1 4.2820 0.04 A 57 SER C C 13 175.6370 0.4 A 57 SER CA C 13 58.5930 0.4 A 57 SER CB C 13 65.7600 0.4 A 57 SER N N 15 118.0180 0.4 A 58 VAL H H 1 9.0180 0.04 A 58 VAL HA H 1 3.6890 0.04 A 58 VAL HB H 1 2.1220 0.04 A 58 VAL HGx% H 1 0.9490 0.04 A 58 VAL HGy% H 1 1.0680 0.04 A 58 VAL C C 13 177.3380 0.4 A 58 VAL CA C 13 68.2100 0.4 A 58 VAL CB C 13 33.1680 0.4 A 58 VAL CG1 C 13 22.6940 0.4 A 58 VAL CG2 C 13 24.4510 0.4 A 58 VAL N N 15 125.1680 0.4 A 59 HIS H H 1 8.1460 0.04 A 59 HIS HA H 1 4.3040 0.04 A 59 HIS HB2 H 1 3.2270 0.04 A 59 HIS HB3 H 1 3.2780 0.04 A 59 HIS HD2 H 1 7.2380 0.04 A 59 HIS C C 13 176.6800 0.4 A 59 HIS CA C 13 60.8220 0.4 A 59 HIS CB C 13 30.7020 0.4 A 59 HIS CD2 C 13 121.2800 0.4 A 59 HIS N N 15 116.8320 0.4 A 60 THR H H 1 7.8340 0.04 A 60 THR HA H 1 4.1250 0.04 A 60 THR HB H 1 4.3150 0.04 A 60 THR HG2% H 1 1.2540 0.04 A 60 THR C C 13 176.0010 0.4 A 60 THR CA C 13 67.1250 0.4 A 60 THR CB C 13 69.9220 0.4 A 60 THR CG2 C 13 23.8660 0.4 A 60 THR N N 15 117.4460 0.4 A 61 LEU H H 1 7.6430 0.04 A 61 LEU HA H 1 4.1480 0.04 A 61 LEU HB2 H 1 1.5320 0.04 A 61 LEU HB3 H 1 2.0990 0.04 A 61 LEU HDx% H 1 0.8490 0.04 A 61 LEU HDy% H 1 0.7980 0.04 A 61 LEU HG H 1 1.8220 0.04 A 61 LEU C C 13 176.7640 0.4 A 61 LEU CA C 13 58.7790 0.4 A 61 LEU CB C 13 43.2840 0.4 A 61 LEU CD1 C 13 27.7410 0.4 A 61 LEU CD2 C 13 24.7450 0.4 A 61 LEU CG C 13 27.9050 0.4 A 61 LEU N N 15 120.1390 0.4 A 62 LEU H H 1 7.7340 0.04 A 62 LEU HA H 1 4.2960 0.04 A 62 LEU HB2 H 1 1.7310 0.04 A 62 LEU HB3 H 1 1.8020 0.04 A 62 LEU HDx% H 1 0.9270 0.04 A 62 LEU HDy% H 1 0.9690 0.04 A 62 LEU HG H 1 1.8170 0.04 A 62 LEU C C 13 176.9520 0.4 A 62 LEU CA C 13 57.0730 0.4 A 62 LEU CB C 13 45.0110 0.4 A 62 LEU CD1 C 13 26.7950 0.4 A 62 LEU CD2 C 13 24.5460 0.4 A 62 LEU CG C 13 28.5530 0.4 A 62 LEU N N 15 116.5140 0.4 A 63 ASP H H 1 7.8400 0.04 A 63 ASP HA H 1 4.5990 0.04 A 63 ASP HB2 H 1 2.6820 0.04 A 63 ASP HB3 H 1 2.9390 0.04 A 63 ASP C C 13 175.7240 0.4 A 63 ASP CA C 13 56.3870 0.4 A 63 ASP CB C 13 42.6160 0.4 A 63 ASP N N 15 120.0230 0.4 A 64 GLU H H 1 8.4130 0.04 A 64 GLU HA H 1 4.4140 0.04 A 64 GLU HB2 H 1 2.0720 0.04 A 64 GLU HB3 H 1 2.2090 0.04 A 64 GLU HG2 H 1 2.3960 0.04 A 64 GLU HG3 H 1 2.3840 0.04 A 64 GLU C C 13 176.2160 0.4 A 64 GLU CA C 13 57.7780 0.4 A 64 GLU CB C 13 31.8770 0.4 A 64 GLU CG C 13 37.3250 0.4 A 64 GLU N N 15 122.7390 0.4 A 65 LYS H H 1 8.4220 0.04 A 65 LYS HA H 1 4.4030 0.04 A 65 LYS HB2 H 1 1.9070 0.04 A 65 LYS HB3 H 1 1.9240 0.04 A 65 LYS HD3 H 1 1.8070 0.04 A 65 LYS HE3 H 1 3.1140 0.04 A 65 LYS HG2 H 1 1.5000 0.04 A 65 LYS HG3 H 1 1.5480 0.04 A 65 LYS C C 13 176.0220 0.4 A 65 LYS CA C 13 57.3350 0.4 A 65 LYS CB C 13 34.3200 0.4 A 65 LYS CD C 13 30.1280 0.4 A 65 LYS CE C 13 43.3110 0.4 A 65 LYS CG C 13 26.2610 0.4 A 65 LYS N N 15 122.4220 0.4 A 66 HIS H H 1 8.5780 0.04 A 66 HIS HA H 1 4.7970 0.04 A 66 HIS HB2 H 1 3.2350 0.04 A 66 HIS HB3 H 1 3.3500 0.04 A 66 HIS HD2 H 1 7.3110 0.04 A 66 HIS C C 13 174.3620 0.4 A 66 HIS CA C 13 56.9210 0.4 A 66 HIS CB C 13 31.3590 0.4 A 66 HIS CD2 C 13 121.7660 0.4 A 66 HIS N N 15 121.1050 0.4 A 67 GLU H H 1 8.6680 0.04 A 67 GLU HA H 1 4.4960 0.04 A 67 GLU HB2 H 1 2.0790 0.04 A 67 GLU HB3 H 1 2.2100 0.04 A 67 GLU HG3 H 1 2.3850 0.04 A 67 GLU C C 13 176.2450 0.4 A 67 GLU CA C 13 58.2470 0.4 A 67 GLU CB C 13 32.0170 0.4 A 67 GLU CG C 13 37.9380 0.4 A 67 GLU N N 15 123.2400 0.4 A 68 THR H H 1 8.3110 0.04 A 68 THR HA H 1 4.4930 0.04 A 68 THR HB H 1 4.3890 0.04 A 68 THR HG2% H 1 1.3210 0.04 A 68 THR C C 13 173.4050 0.4 A 68 THR CA C 13 63.0970 0.4 A 68 THR CB C 13 71.3380 0.4 A 68 THR CG2 C 13 23.1360 0.4 A 68 THR N N 15 115.2210 0.4 A 69 GLU H H 1 8.0830 0.04 A 69 GLU HA H 1 4.2730 0.04 A 69 GLU HB2 H 1 2.0330 0.04 A 69 GLU HB3 H 1 2.1870 0.04 A 69 GLU HG3 H 1 2.3350 0.04 A 69 GLU C C 13 180.7010 0.4 A 69 GLU CA C 13 59.5010 0.4 A 69 GLU CB C 13 32.5050 0.4 A 69 GLU CG C 13 38.4320 0.4 A 69 GLU N N 15 128.7490 0.4 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 ILE HA A 2 ILE HG12 1.0 . 3.42 2 2 A 2 ILE HA A 2 ILE HG13 1.0 . 3.86 3 3 A 2 ILE HA A 2 ILE HD1% 1.0 . 3.43 4 4 A 2 ILE HA A 2 ILE HG2% 1.0 . 3.15 5 5 A 2 ILE HA A 5 ARG HD2 1.0 . 5.50 6 6 A 2 ILE HD1% A 2 ILE HB 1.0 . 3.74 7 7 A 2 ILE HD1% A 5 ARG HD2 1.0 . 5.50 8 8 A 2 ILE HD1% A 5 ARG HD3 1.0 . 5.50 9 9 A 2 ILE HG12 A 2 ILE HG2% 1.0 . 3.86 10 10 A 2 ILE HG13 A 2 ILE HG2% 1.0 . 3.76 11 11 A 2 ILE HG2% A 4 GLN H 1.0 . 3.86 12 12 A 2 ILE HG2% A 5 ARG HD2 1.0 . 3.57 13 13 A 2 ILE HG2% A 5 ARG H 1.0 . 4.05 14 14 A 5 ARG H A 3 GLY HA3 1.0 . 4.28 15 15 A 3 GLY H A 5 ARG HB3 1.0 . 5.08 16 16 A 5 ARG HD2 A 3 GLY H 1.0 . 5.50 17 17 A 5 ARG H A 3 GLY H 1.0 . 4.89 18 18 A 4 GLN HA A 4 GLN HB2 1.0 . 2.74 19 19 A 4 GLN HA A 4 GLN HB3 1.0 . 2.94 20 20 A 4 GLN HA A 7 LYS HB3 1.0 . 4.27 21 21 A 4 GLN HA A 7 LYS HE3 1.0 . 4.39 22 22 A 4 GLN HA A 7 LYS HG2 1.0 . 5.50 23 23 A 4 GLN HA A 7 LYS HG3 1.0 . 5.50 24 24 A 7 LYS H A 4 GLN HA 1.0 . 4.13 25 25 A 4 GLN HA A 8 GLN H 1.0 . 4.32 26 26 A 5 ARG H A 4 GLN HG2 1.0 . 4.48 27 27 A 4 GLN HG3 A 5 ARG HA 1.0 . 3.89 28 28 A 5 ARG H A 4 GLN HG3 1.0 . 5.50 29 29 A 4 GLN H A 4 GLN HB2 1.0 . 3.44 30 30 A 4 GLN H A 4 GLN HG2 1.0 . 3.72 31 31 A 4 GLN H A 4 GLN HG3 1.0 . 4.10 32 32 A 4 GLN H A 5 ARG H 1.0 . 2.98 33 33 A 8 GLN H A 4 GLN O 1.0 . 2.00 34 34 A 4 GLN O A 8 GLN N 1.0 . 3.00 35 35 A 5 ARG HA A 5 ARG HB2 1.0 . 2.85 36 36 A 5 ARG HB3 A 5 ARG HA 1.0 . 3.00 37 37 A 5 ARG HD2 A 5 ARG HA 1.0 . 3.96 38 38 A 5 ARG HD3 A 5 ARG HA 1.0 . 4.86 39 39 A 5 ARG HA A 61 LEU HDy% 1.0 . 5.01 40 40 A 5 ARG HA A 8 GLN HB2 1.0 . 2.85 41 41 A 5 ARG HA A 8 GLN HG2 1.0 . 5.25 42 42 A 5 ARG HA A 8 GLN HG3 1.0 . 4.74 43 43 A 8 GLN H A 5 ARG HA 1.0 . 4.59 44 44 A 5 ARG HA A 9 TYR HB2 1.0 . 5.25 45 45 A 5 ARG HA A 9 TYR H 1.0 . 4.15 46 46 A 5 ARG HA A 9 TYR HD% 1.0 . 5.50 47 47 A 5 ARG HA A 9 TYR HE% 1.0 . 4.95 48 48 A 5 ARG HD2 A 5 ARG HB2 1.0 . 3.66 49 49 A 5 ARG HB2 A 61 LEU HA 1.0 . 3.10 50 50 A 5 ARG HB2 A 61 LEU HB2 1.0 . 5.00 51 51 A 5 ARG HB2 A 61 LEU HDy% 1.0 . 3.86 52 52 A 5 ARG HB2 A 6 ILE HD1% 1.0 . 5.50 53 53 A 5 ARG HD2 A 5 ARG HB3 1.0 . 3.83 54 54 A 5 ARG HB3 A 5 ARG HG2 1.0 . 3.00 55 55 A 5 ARG HB3 A 5 ARG HG3 1.0 . 2.85 56 56 A 5 ARG HB3 A 61 LEU HA 1.0 . 2.79 57 57 A 5 ARG HB3 A 61 LEU HB2 1.0 . 5.10 58 58 A 5 ARG HB3 A 61 LEU HDy% 1.0 . 4.35 59 59 A 5 ARG HB3 A 62 LEU H 1.0 . 5.47 60 60 A 6 ILE H A 5 ARG HB3 1.0 . 3.27 61 61 A 5 ARG HB3 A 6 ILE HD1% 1.0 . 4.65 62 62 A 5 ARG HB3 A 9 TYR HD% 1.0 . 4.42 63 63 A 5 ARG HB3 A 9 TYR HE% 1.0 . 4.93 64 64 A 5 ARG HD2 A 60 THR HG2% 1.0 . 5.50 65 65 A 5 ARG HD2 A 61 LEU HA 1.0 . 4.16 66 66 A 5 ARG HD2 A 61 LEU HDy% 1.0 . 5.50 67 67 A 5 ARG HD2 A 9 TYR HE% 1.0 . 5.50 68 68 A 5 ARG HD3 A 60 THR HG2% 1.0 . 4.97 69 69 A 5 ARG HD3 A 61 LEU HA 1.0 . 3.88 70 70 A 5 ARG HD3 A 61 LEU H 1.0 . 5.50 71 71 A 5 ARG HD3 A 61 LEU HDy% 1.0 . 5.50 72 72 A 5 ARG HD3 A 9 TYR HE% 1.0 . 5.50 73 73 A 61 LEU HDy% A 5 ARG HG2 1.0 . 5.44 74 74 A 9 TYR HD% A 5 ARG HG2 1.0 . 4.47 75 75 A 9 TYR HE% A 5 ARG HG2 1.0 . 4.49 76 76 A 5 ARG HG3 A 60 THR HB 1.0 . 5.12 77 77 A 61 LEU HA A 5 ARG HG3 1.0 . 3.35 78 78 A 61 LEU HDy% A 5 ARG HG3 1.0 . 4.07 79 79 A 9 TYR HD% A 5 ARG HG3 1.0 . 3.86 80 80 A 9 TYR HE% A 5 ARG HG3 1.0 . 3.47 81 81 A 5 ARG H A 5 ARG HB3 1.0 . 3.95 82 82 A 5 ARG HD3 A 5 ARG H 1.0 . 4.47 83 83 A 5 ARG H A 61 LEU HDy% 1.0 . 5.47 84 84 A 5 ARG H A 6 ILE H 1.0 . 3.18 85 85 A 9 TYR H A 5 ARG O 1.0 . 2.00 86 86 A 5 ARG O A 9 TYR N 1.0 . 3.00 87 87 A 6 ILE HA A 10 ARG H 1.0 . 5.12 88 88 A 6 ILE HA A 20 LEU HDx% 1.0 . 4.89 89 89 A 6 ILE HA A 54 LEU HDx% 1.0 . 3.01 90 90 A 61 LEU HA A 6 ILE HA 1.0 . 5.50 91 91 A 61 LEU HDy% A 6 ILE HA 1.0 . 4.05 92 92 A 6 ILE HB A 6 ILE HA 1.0 . 3.01 93 93 A 6 ILE HD1% A 6 ILE HA 1.0 . 2.79 94 94 A 6 ILE HA A 6 ILE HG2% 1.0 . 4.08 95 95 A 6 ILE HA A 7 LYS HA 1.0 . 5.11 96 96 A 8 GLN H A 6 ILE HA 1.0 . 5.38 97 97 A 9 TYR HB2 A 6 ILE HA 1.0 . 3.71 98 98 A 6 ILE HA A 9 TYR HB3 1.0 . 4.64 99 99 A 9 TYR H A 6 ILE HA 1.0 . 4.39 100 100 A 9 TYR HD% A 6 ILE HA 1.0 . 3.82 101 101 A 6 ILE HB A 34 ILE HG2% 1.0 . 2.40 102 102 A 6 ILE HB A 35 GLU HA 1.0 . 5.17 103 103 A 6 ILE HB A 50 VAL HGy% 1.0 . 5.50 104 104 A 6 ILE HB A 61 LEU HDy% 1.0 . 5.50 105 105 A 6 ILE HB A 6 ILE HD1% 1.0 . 3.14 106 106 A 6 ILE HG12 A 31 LEU HA 1.0 . 5.50 107 107 A 6 ILE H A 61 LEU HDy% 1.0 . 3.97 108 108 A 6 ILE HB A 6 ILE H 1.0 . 2.87 109 109 A 6 ILE H A 6 ILE HD1% 1.0 . 2.96 110 110 A 6 ILE H A 7 LYS H 1.0 . 3.04 111 111 A 10 ARG H A 6 ILE O 1.0 . 2.00 112 112 A 6 ILE O A 10 ARG N 1.0 . 3.00 113 113 A 6 ILE HD1% A 54 LEU HB2 1.0 . 5.50 114 114 A 6 ILE HD1% A 54 LEU HDx% 1.0 . 3.35 115 115 A 6 ILE HD1% A 61 LEU HB3 1.0 . 3.77 116 116 A 6 ILE HD1% A 61 LEU HDx% 1.0 . 3.44 117 117 A 10 ARG H A 6 ILE HG2% 1.0 . 4.55 118 118 A 6 ILE HG2% A 31 LEU HA 1.0 . 3.56 119 119 A 6 ILE HG2% A 31 LEU HB2 1.0 . 3.74 120 120 A 6 ILE HG2% A 31 LEU HDx% 1.0 . 3.00 121 121 A 6 ILE HG2% A 50 VAL HGy% 1.0 . 5.50 122 122 A 6 ILE HG2% A 6 ILE HG13 1.0 . 3.26 123 123 A 6 ILE HG2% A 7 LYS HA 1.0 . 3.87 124 124 A 7 LYS H A 6 ILE HG2% 1.0 . 4.18 125 125 A 7 LYS HA A 10 ARG HB2 1.0 . 5.06 126 126 A 7 LYS HA A 10 ARG HB3 1.0 . 3.40 127 127 A 7 LYS HA A 10 ARG HD3 1.0 . 4.18 128 128 A 7 LYS HA A 11 LYS HG3 1.0 . 5.50 129 129 A 7 LYS HA A 11 LYS H 1.0 . 4.07 130 130 A 20 LEU HDx% A 7 LYS HA 1.0 . 5.50 131 131 A 7 LYS HA A 35 GLU HG2 1.0 . 5.31 132 132 A 7 LYS HA A 35 GLU HG3 1.0 . 5.50 133 133 A 7 LYS HG3 A 7 LYS HA 1.0 . 3.81 134 134 A 7 LYS HB3 A 35 GLU HB3 1.0 . 5.09 135 135 A 7 LYS HB3 A 35 GLU HG2 1.0 . 3.55 136 136 A 7 LYS HB3 A 35 GLU HG3 1.0 . 5.50 137 137 A 7 LYS HB3 A 7 LYS HE3 1.0 . 5.10 138 138 A 7 LYS HE3 A 8 GLN H 1.0 . 5.50 139 139 A 7 LYS HG2 A 35 GLU HG2 1.0 . 5.50 140 140 A 7 LYS HG2 A 8 GLN HA 1.0 . 3.80 141 141 A 7 LYS HG2 A 8 GLN H 1.0 . 4.10 142 142 A 7 LYS HG3 A 7 LYS HD3 1.0 . 2.65 143 143 A 7 LYS HE3 A 7 LYS HG3 1.0 . 3.85 144 144 A 7 LYS HG3 A 8 GLN H 1.0 . 4.04 145 145 A 7 LYS H A 10 ARG H 1.0 . 4.86 146 146 A 7 LYS H A 35 GLU HG3 1.0 . 5.28 147 147 A 7 LYS H A 7 LYS HG3 1.0 . 5.50 148 148 A 11 LYS H A 7 LYS O 1.0 . 2.00 149 149 A 7 LYS O A 11 LYS N 1.0 . 3.00 150 150 A 8 GLN HA A 11 LYS HB2 1.0 . 5.42 151 151 A 8 GLN HA A 11 LYS HB3 1.0 . 5.50 152 152 A 8 GLN HA A 11 LYS HD3 1.0 . 5.16 153 153 A 11 LYS HG3 A 8 GLN HA 1.0 . 4.61 154 154 A 8 GLN HG2 A 8 GLN HA 1.0 . 3.88 155 155 A 8 GLN HG3 A 8 GLN HA 1.0 . 3.92 156 156 A 8 GLN HB2 A 8 GLN HG3 1.0 . 2.40 157 157 A 9 TYR H A 8 GLN HB3 1.0 . 3.95 158 158 A 8 GLN HG2 A 12 GLU HB3 1.0 . 5.50 159 159 A 8 GLN HG2 A 12 GLU HG3 1.0 . 5.50 160 160 A 8 GLN HG2 A 9 TYR HA 1.0 . 5.50 161 161 A 8 GLN HG2 A 9 TYR HD% 1.0 . 4.57 162 162 A 8 GLN HG3 A 12 GLU HG3 1.0 . 5.13 163 163 A 8 GLN HG3 A 9 TYR HD% 1.0 . 5.31 164 164 A 8 GLN H A 10 ARG H 1.0 . 4.51 165 165 A 8 GLN H A 8 GLN HB2 1.0 . 3.39 166 166 A 8 GLN H A 9 TYR HB2 1.0 . 5.50 167 167 A 8 GLN H A 9 TYR H 1.0 . 3.06 168 168 A 8 GLN O A 12 GLU H 1.0 . 2.00 169 169 A 8 GLN O A 12 GLU N 1.0 . 3.00 170 170 A 9 TYR HA A 11 LYS HG2 1.0 . 5.50 171 171 A 11 LYS H A 9 TYR HA 1.0 . 5.30 172 172 A 12 GLU HB3 A 9 TYR HA 1.0 . 2.90 173 173 A 12 GLU HG3 A 9 TYR HA 1.0 . 5.50 174 174 A 9 TYR HA A 12 GLU H 1.0 . 3.83 175 175 A 9 TYR HA A 13 LYS HD2 1.0 . 5.34 176 176 A 9 TYR HA A 13 LYS H 1.0 . 5.50 177 177 A 54 LEU HDx% A 9 TYR HA 1.0 . 5.50 178 178 A 9 TYR HA A 54 LEU HDy% 1.0 . 4.14 179 179 A 9 TYR HA A 56 VAL HGy% 1.0 . 5.50 180 180 A 9 TYR HB3 A 9 TYR HA 1.0 . 2.87 181 181 A 9 TYR HD% A 9 TYR HA 1.0 . 2.80 182 182 A 9 TYR HE% A 9 TYR HA 1.0 . 5.27 183 183 A 9 TYR HB2 A 10 ARG HA 1.0 . 4.60 184 184 A 9 TYR HB2 A 10 ARG H 1.0 . 3.56 185 185 A 9 TYR HB2 A 12 GLU HB3 1.0 . 5.50 186 186 A 9 TYR HB2 A 54 LEU HA 1.0 . 5.50 187 187 A 9 TYR HB2 A 54 LEU HB2 1.0 . 5.42 188 188 A 9 TYR HB2 A 54 LEU HB3 1.0 . 4.70 189 189 A 9 TYR HB2 A 54 LEU HG 1.0 . 5.50 190 190 A 9 TYR HB2 A 54 LEU HDx% 1.0 . 3.21 191 191 A 61 LEU HDy% A 9 TYR HB2 1.0 . 5.32 192 192 A 9 TYR HB3 A 10 ARG HA 1.0 . 4.58 193 193 A 10 ARG H A 9 TYR HB3 1.0 . 3.90 194 194 A 9 TYR HB3 A 12 GLU HB3 1.0 . 5.10 195 195 A 9 TYR HB3 A 13 LYS HD3 1.0 . 5.40 196 196 A 9 TYR HB3 A 54 LEU HA 1.0 . 4.56 197 197 A 9 TYR HB3 A 54 LEU HB2 1.0 . 3.83 198 198 A 9 TYR HB3 A 54 LEU HB3 1.0 . 4.71 199 199 A 9 TYR HB3 A 54 LEU HG 1.0 . 5.50 200 200 A 54 LEU HDx% A 9 TYR HB3 1.0 . 3.38 201 201 A 9 TYR HB3 A 54 LEU HDy% 1.0 . 3.59 202 202 A 9 TYR HB3 A 56 VAL HB 1.0 . 5.50 203 203 A 9 TYR HB3 A 56 VAL HGy% 1.0 . 4.17 204 204 A 9 TYR H A 10 ARG H 1.0 . 3.19 205 205 A 9 TYR H A 54 LEU HDx% 1.0 . 4.57 206 206 A 9 TYR H A 54 LEU HDy% 1.0 . 5.05 207 207 A 9 TYR H A 9 TYR HB3 1.0 . 3.64 208 208 A 9 TYR H A 9 TYR HD% 1.0 . 3.68 209 209 A 9 TYR HD% A 10 ARG H 1.0 . 5.03 210 210 A 9 TYR HD% A 12 GLU HB3 1.0 . 4.64 211 211 A 9 TYR HD% A 54 LEU HB2 1.0 . 4.06 212 212 A 9 TYR HD% A 54 LEU HB3 1.0 . 5.50 213 213 A 9 TYR HD% A 54 LEU HDx% 1.0 . 3.66 214 214 A 9 TYR HD% A 56 VAL HB 1.0 . 4.78 215 215 A 9 TYR HD% A 56 VAL HGx% 1.0 . 2.98 216 216 A 9 TYR HD% A 61 LEU HA 1.0 . 5.50 217 217 A 61 LEU HDy% A 9 TYR HD% 1.0 . 3.04 218 218 A 9 TYR HE% A 54 LEU HB2 1.0 . 5.50 219 219 A 9 TYR HE% A 54 LEU HDx% 1.0 . 5.50 220 220 A 9 TYR HE% A 56 VAL HA 1.0 . 5.50 221 221 A 9 TYR HE% A 56 VAL HB 1.0 . 4.64 222 222 A 9 TYR HE% A 56 VAL HGx% 1.0 . 3.50 223 223 A 9 TYR HE% A 60 THR HB 1.0 . 4.20 224 224 A 9 TYR HE% A 60 THR HG2% 1.0 . 2.84 225 225 A 9 TYR HE% A 61 LEU HA 1.0 . 5.32 226 226 A 61 LEU HDy% A 9 TYR HE% 1.0 . 3.32 227 227 A 10 ARG HA A 10 ARG HD2 1.0 . 5.22 228 228 A 10 ARG HD3 A 10 ARG HA 1.0 . 5.50 229 229 A 10 ARG HA A 10 ARG HG2 1.0 . 3.90 230 230 A 10 ARG HA A 13 LYS HB2 1.0 . 5.50 231 231 A 10 ARG HA A 13 LYS HG3 1.0 . 5.50 232 232 A 13 LYS H A 10 ARG HA 1.0 . 4.79 233 233 A 10 ARG HA A 15 TYR HA 1.0 . 5.50 234 234 A 10 ARG HA A 15 TYR HB2 1.0 . 5.50 235 235 A 10 ARG HA A 15 TYR HB3 1.0 . 4.52 236 236 A 10 ARG HA A 15 TYR H 1.0 . 4.13 237 237 A 10 ARG HA A 15 TYR HD% 1.0 . 4.44 238 238 A 10 ARG HA A 15 TYR HE% 1.0 . 5.22 239 239 A 20 LEU HDx% A 10 ARG HA 1.0 . 5.50 240 240 A 10 ARG HA A 20 LEU HDy% 1.0 . 5.50 241 241 A 54 LEU HDy% A 10 ARG HA 1.0 . 2.40 242 242 A 10 ARG HB2 A 10 ARG HD3 1.0 . 3.45 243 243 A 10 ARG HB2 A 15 TYR HB2 1.0 . 4.23 244 244 A 10 ARG HB2 A 15 TYR HB3 1.0 . 3.87 245 245 A 10 ARG HB2 A 15 TYR HD% 1.0 . 5.50 246 246 A 10 ARG HB2 A 16 SER HA 1.0 . 5.20 247 247 A 10 ARG HB2 A 20 LEU HA 1.0 . 5.39 248 248 A 10 ARG HB2 A 20 LEU HB2 1.0 . 3.78 249 249 A 20 LEU HDx% A 10 ARG HB2 1.0 . 4.48 250 250 A 10 ARG HB2 A 54 LEU HDy% 1.0 . 5.50 251 251 A 10 ARG HB3 A 10 ARG HD3 1.0 . 2.58 252 252 A 10 ARG HB3 A 11 LYS H 1.0 . 4.05 253 253 A 10 ARG HB3 A 15 TYR HB2 1.0 . 4.41 254 254 A 10 ARG HB3 A 15 TYR HB3 1.0 . 5.50 255 255 A 10 ARG HB3 A 15 TYR HD% 1.0 . 5.36 256 256 A 10 ARG HB3 A 20 LEU HB2 1.0 . 5.50 257 257 A 10 ARG HD2 A 11 LYS HA 1.0 . 5.50 258 258 A 10 ARG HD2 A 15 TYR HB2 1.0 . 4.42 259 259 A 10 ARG HD2 A 15 TYR HB3 1.0 . 4.44 260 260 A 10 ARG HD2 A 16 SER HA 1.0 . 3.84 261 261 A 10 ARG HD2 A 16 SER HB2 1.0 . 5.50 262 262 A 10 ARG HD2 A 16 SER H 1.0 . 5.46 263 263 A 10 ARG HD2 A 17 LEU HA 1.0 . 4.07 264 264 A 10 ARG HD2 A 17 LEU HG 1.0 . 5.50 265 265 A 10 ARG HD2 A 17 LEU H 1.0 . 5.19 266 266 A 10 ARG HD2 A 17 LEU HDy% 1.0 . 5.50 267 267 A 10 ARG HD2 A 20 LEU HB2 1.0 . 3.82 268 268 A 10 ARG HD2 A 20 LEU HB3 1.0 . 3.63 269 269 A 10 ARG HD2 A 20 LEU HG 1.0 . 5.50 270 270 A 10 ARG HD2 A 20 LEU H 1.0 . 4.22 271 271 A 10 ARG HD2 A 21 ALA H 1.0 . 5.50 272 272 A 10 ARG HD3 A 11 LYS H 1.0 . 5.50 273 273 A 10 ARG HD3 A 15 TYR HB2 1.0 . 5.07 274 274 A 10 ARG HD3 A 17 LEU HA 1.0 . 4.91 275 275 A 10 ARG HD3 A 17 LEU HDx% 1.0 . 5.20 276 276 A 10 ARG HD3 A 17 LEU HDy% 1.0 . 5.50 277 277 A 10 ARG HD3 A 20 LEU HB2 1.0 . 4.34 278 278 A 10 ARG HD3 A 20 LEU HB3 1.0 . 4.03 279 279 A 10 ARG HD3 A 20 LEU HG 1.0 . 5.50 280 280 A 20 LEU HDx% A 10 ARG HD3 1.0 . 2.64 281 281 A 10 ARG HG2 A 11 LYS HA 1.0 . 3.93 282 282 A 11 LYS H A 10 ARG HG2 1.0 . 4.91 283 283 A 10 ARG HG2 A 15 TYR HA 1.0 . 4.82 284 284 A 10 ARG HG2 A 15 TYR HB2 1.0 . 3.62 285 285 A 10 ARG HG2 A 15 TYR HB3 1.0 . 3.79 286 286 A 10 ARG HG2 A 16 SER HA 1.0 . 4.38 287 287 A 10 ARG HG2 A 16 SER H 1.0 . 4.70 288 288 A 15 TYR HB2 A 10 ARG HG3 1.0 . 4.23 289 289 A 16 SER HA A 10 ARG HG3 1.0 . 4.60 290 290 A 20 LEU HB2 A 10 ARG HG3 1.0 . 5.50 291 291 A 20 LEU HDx% A 10 ARG HG3 1.0 . 4.15 292 292 A 54 LEU HDy% A 10 ARG HG3 1.0 . 4.66 293 293 A 10 ARG H A 10 ARG HB2 1.0 . 3.75 294 294 A 10 ARG H A 10 ARG HB3 1.0 . 3.11 295 295 A 10 ARG H A 10 ARG HG2 1.0 . 4.48 296 296 A 10 ARG H A 11 LYS H 1.0 . 3.44 297 297 A 10 ARG H A 12 GLU H 1.0 . 4.54 298 298 A 10 ARG H A 13 LYS H 1.0 . 5.50 299 299 A 10 ARG H A 20 LEU HDx% 1.0 . 4.83 300 300 A 10 ARG H A 54 LEU HDy% 1.0 . 3.64 301 301 A 11 LYS HB3 A 11 LYS HA 1.0 . 2.97 302 302 A 11 LYS HD3 A 11 LYS HA 1.0 . 5.50 303 303 A 11 LYS HA A 11 LYS HE3 1.0 . 5.50 304 304 A 11 LYS HG2 A 11 LYS HA 1.0 . 3.74 305 305 A 11 LYS HA A 14 GLY H 1.0 . 3.57 306 306 A 11 LYS HB2 A 11 LYS HD2 1.0 . 3.19 307 307 A 11 LYS HB2 A 11 LYS HD3 1.0 . 3.21 308 308 A 11 LYS HB2 A 11 LYS HE3 1.0 . 5.50 309 309 A 11 LYS HB2 A 12 GLU HA 1.0 . 4.86 310 310 A 11 LYS HB2 A 12 GLU HB3 1.0 . 5.50 311 311 A 11 LYS HB2 A 12 GLU H 1.0 . 3.70 312 312 A 11 LYS HB2 A 14 GLY H 1.0 . 5.50 313 313 A 11 LYS HB3 A 11 LYS HE3 1.0 . 5.50 314 314 A 11 LYS HB3 A 14 GLY H 1.0 . 5.50 315 315 A 11 LYS HD2 A 12 GLU HA 1.0 . 4.26 316 316 A 12 GLU H A 11 LYS HD2 1.0 . 5.15 317 317 A 11 LYS HD3 A 12 GLU HA 1.0 . 3.61 318 318 A 11 LYS HD3 A 12 GLU HB3 1.0 . 4.72 319 319 A 11 LYS HD3 A 12 GLU H 1.0 . 3.76 320 320 A 11 LYS HG2 A 12 GLU HA 1.0 . 5.09 321 321 A 12 GLU HB3 A 11 LYS HG2 1.0 . 5.50 322 322 A 12 GLU H A 11 LYS HG2 1.0 . 4.55 323 323 A 11 LYS HG3 A 12 GLU HA 1.0 . 5.50 324 324 A 11 LYS H A 11 LYS HB2 1.0 . 3.83 325 325 A 11 LYS H A 11 LYS HB3 1.0 . 4.03 326 326 A 11 LYS H A 11 LYS HD3 1.0 . 5.03 327 327 A 11 LYS H A 11 LYS HG2 1.0 . 5.23 328 328 A 11 LYS HG3 A 11 LYS H 1.0 . 4.55 329 329 A 11 LYS H A 12 GLU H 1.0 . 3.08 330 330 A 11 LYS H A 54 LEU HDy% 1.0 . 5.50 331 331 A 12 GLU HA A 12 GLU HG2 1.0 . 2.45 332 332 A 12 GLU HA A 13 LYS HA 1.0 . 5.08 333 333 A 12 GLU HB3 A 12 GLU HG2 1.0 . 2.90 334 334 A 12 GLU HB3 A 13 LYS HG2 1.0 . 5.50 335 335 A 12 GLU HB3 A 13 LYS HG3 1.0 . 5.50 336 336 A 12 GLU HB3 A 13 LYS H 1.0 . 4.14 337 337 A 12 GLU HB3 A 14 GLY H 1.0 . 5.24 338 338 A 12 GLU HG3 A 13 LYS H 1.0 . 5.50 339 339 A 12 GLU H A 12 GLU HA 1.0 . 2.94 340 340 A 12 GLU HB3 A 12 GLU H 1.0 . 3.50 341 341 A 12 GLU H A 13 LYS H 1.0 . 3.26 342 342 A 12 GLU H A 14 GLY H 1.0 . 4.01 343 343 A 13 LYS HD3 A 13 LYS HA 1.0 . 3.90 344 344 A 13 LYS HA A 13 LYS HE3 1.0 . 3.91 345 345 A 13 LYS HA A 13 LYS HG2 1.0 . 2.86 346 346 A 13 LYS HG3 A 13 LYS HA 1.0 . 4.20 347 347 A 15 TYR HD% A 13 LYS HA 1.0 . 5.50 348 348 A 15 TYR HE% A 13 LYS HA 1.0 . 5.50 349 349 A 13 LYS HB2 A 13 LYS HE3 1.0 . 5.50 350 350 A 13 LYS HB2 A 14 GLY H 1.0 . 4.49 351 351 A 13 LYS HB2 A 15 TYR HD% 1.0 . 4.38 352 352 A 13 LYS HB2 A 15 TYR HE% 1.0 . 4.57 353 353 A 13 LYS HB2 A 23 LYS HD2 1.0 . 5.50 354 354 A 54 LEU HDy% A 13 LYS HB2 1.0 . 4.94 355 355 A 13 LYS HB3 A 13 LYS HE2 1.0 . 5.50 356 356 A 13 LYS HE3 A 13 LYS HB3 1.0 . 5.50 357 357 A 14 GLY H A 13 LYS HB3 1.0 . 3.91 358 358 A 15 TYR HB2 A 13 LYS HB3 1.0 . 5.50 359 359 A 15 TYR HB3 A 13 LYS HB3 1.0 . 5.50 360 360 A 15 TYR H A 13 LYS HB3 1.0 . 4.04 361 361 A 15 TYR HE% A 13 LYS HB3 1.0 . 3.51 362 362 A 54 LEU HDy% A 13 LYS HB3 1.0 . 4.48 363 363 A 13 LYS HD2 A 55 ASP HB2 1.0 . 3.51 364 364 A 13 LYS HD2 A 55 ASP HB3 1.0 . 4.49 365 365 A 14 GLY H A 13 LYS HE2 1.0 . 5.50 366 366 A 14 GLY H A 13 LYS HE3 1.0 . 5.50 367 367 A 13 LYS HG2 A 13 LYS HE2 1.0 . 4.22 368 368 A 15 TYR HE% A 13 LYS HG2 1.0 . 4.66 369 369 A 13 LYS HD2 A 13 LYS HG3 1.0 . 2.55 370 370 A 13 LYS HG3 A 15 TYR HD% 1.0 . 5.50 371 371 A 13 LYS HG3 A 15 TYR HE% 1.0 . 5.50 372 372 A 54 LEU HDy% A 13 LYS HG3 1.0 . 4.28 373 373 A 13 LYS H A 13 LYS HB3 1.0 . 3.82 374 374 A 13 LYS H A 14 GLY H 1.0 . 3.14 375 375 A 15 TYR HA A 14 GLY HA3 1.0 . 5.50 376 376 A 15 TYR H A 14 GLY HA3 1.0 . 3.45 377 377 A 15 TYR HD% A 14 GLY HA3 1.0 . 5.02 378 378 A 15 TYR HB2 A 14 GLY H 1.0 . 5.50 379 379 A 15 TYR H A 14 GLY H 1.0 . 3.00 380 380 A 15 TYR HA A 15 TYR HB3 1.0 . 2.75 381 381 A 15 TYR HA A 15 TYR HD% 1.0 . 2.67 382 382 A 15 TYR HA A 16 SER HA 1.0 . 5.50 383 383 A 15 TYR HA A 16 SER HB2 1.0 . 5.50 384 384 A 15 TYR HA A 16 SER HB3 1.0 . 4.40 385 385 A 15 TYR HA A 16 SER H 1.0 . 3.43 386 386 A 15 TYR HA A 19 GLU HB2 1.0 . 3.71 387 387 A 15 TYR HA A 19 GLU HB3 1.0 . 3.60 388 388 A 15 TYR HA A 19 GLU HG2 1.0 . 4.42 389 389 A 15 TYR HA A 19 GLU HG3 1.0 . 5.50 390 390 A 15 TYR HA A 20 LEU HB2 1.0 . 5.50 391 391 A 15 TYR HA A 20 LEU H 1.0 . 5.46 392 392 A 15 TYR HA A 23 LYS HD2 1.0 . 5.50 393 393 A 15 TYR HB2 A 16 SER HA 1.0 . 5.50 394 394 A 15 TYR HB2 A 16 SER H 1.0 . 4.26 395 395 A 15 TYR HB2 A 19 GLU HB3 1.0 . 5.26 396 396 A 15 TYR HB2 A 20 LEU HA 1.0 . 5.21 397 397 A 15 TYR HB2 A 20 LEU HB2 1.0 . 4.76 398 398 A 15 TYR HB2 A 20 LEU HB3 1.0 . 5.34 399 399 A 15 TYR HB2 A 20 LEU H 1.0 . 4.57 400 400 A 20 LEU HDx% A 15 TYR HB2 1.0 . 5.33 401 401 A 15 TYR HB2 A 20 LEU HDy% 1.0 . 5.50 402 402 A 54 LEU HDy% A 15 TYR HB2 1.0 . 5.43 403 403 A 15 TYR HB3 A 16 SER HA 1.0 . 5.50 404 404 A 15 TYR HB3 A 16 SER HB3 1.0 . 5.43 405 405 A 15 TYR HB3 A 16 SER H 1.0 . 3.67 406 406 A 15 TYR HB3 A 19 GLU HB2 1.0 . 3.96 407 407 A 15 TYR HB3 A 19 GLU HB3 1.0 . 3.73 408 408 A 15 TYR HB3 A 19 GLU HG3 1.0 . 5.50 409 409 A 15 TYR HB3 A 19 GLU H 1.0 . 5.33 410 410 A 15 TYR HB3 A 20 LEU HA 1.0 . 4.83 411 411 A 15 TYR HB3 A 20 LEU HB2 1.0 . 4.40 412 412 A 15 TYR HB3 A 20 LEU HB3 1.0 . 5.34 413 413 A 15 TYR HB3 A 20 LEU H 1.0 . 3.64 414 414 A 20 LEU HDx% A 15 TYR HB3 1.0 . 4.89 415 415 A 15 TYR HB3 A 20 LEU HDy% 1.0 . 5.50 416 416 A 15 TYR HB3 A 23 LYS HE3 1.0 . 5.50 417 417 A 15 TYR HB2 A 15 TYR H 1.0 . 2.94 418 418 A 15 TYR HB3 A 15 TYR H 1.0 . 3.86 419 419 A 15 TYR H A 15 TYR HD% 1.0 . 4.07 420 420 A 15 TYR H A 15 TYR HE% 1.0 . 5.50 421 421 A 15 TYR H A 16 SER H 1.0 . 4.84 422 422 A 15 TYR HD% A 19 GLU HB2 1.0 . 3.57 423 423 A 15 TYR HD% A 19 GLU HB3 1.0 . 4.55 424 424 A 15 TYR HD% A 19 GLU HG2 1.0 . 4.90 425 425 A 15 TYR HD% A 19 GLU HG3 1.0 . 5.12 426 426 A 15 TYR HD% A 20 LEU HA 1.0 . 5.50 427 427 A 15 TYR HD% A 20 LEU HB2 1.0 . 5.23 428 428 A 15 TYR HD% A 20 LEU HB3 1.0 . 5.50 429 429 A 15 TYR HD% A 20 LEU H 1.0 . 5.28 430 430 A 20 LEU HDx% A 15 TYR HD% 1.0 . 4.88 431 431 A 15 TYR HD% A 20 LEU HDy% 1.0 . 3.37 432 432 A 15 TYR HD% A 23 LYS HD2 1.0 . 3.77 433 433 A 15 TYR HD% A 23 LYS HD3 1.0 . 3.80 434 434 A 15 TYR HD% A 23 LYS HE3 1.0 . 5.50 435 435 A 54 LEU HDy% A 15 TYR HD% 1.0 . 2.65 436 436 A 15 TYR HE% A 19 GLU HB2 1.0 . 5.46 437 437 A 15 TYR HE% A 20 LEU HA 1.0 . 5.50 438 438 A 15 TYR HE% A 20 LEU HDy% 1.0 . 4.24 439 439 A 15 TYR HE% A 23 LYS HD2 1.0 . 3.71 440 440 A 15 TYR HE% A 23 LYS HD3 1.0 . 3.25 441 441 A 15 TYR HE% A 23 LYS HE3 1.0 . 5.50 442 442 A 15 TYR HE% A 53 VAL HGx% 1.0 . 3.27 443 443 A 15 TYR HE% A 53 VAL HGy% 1.0 . 4.59 444 444 A 54 LEU HDy% A 15 TYR HE% 1.0 . 3.54 445 445 A 16 SER HA A 17 LEU HA 1.0 . 4.47 446 446 A 16 SER HA A 17 LEU HG 1.0 . 4.79 447 447 A 16 SER HA A 17 LEU HDx% 1.0 . 4.86 448 448 A 16 SER HA A 19 GLU HB3 1.0 . 4.45 449 449 A 16 SER HA A 20 LEU HB2 1.0 . 5.50 450 450 A 16 SER HB2 A 17 LEU HB3 1.0 . 5.50 451 451 A 16 SER HB2 A 17 LEU HG 1.0 . 5.50 452 452 A 16 SER HB2 A 17 LEU HDx% 1.0 . 5.50 453 453 A 16 SER HB2 A 18 SER H 1.0 . 3.05 454 454 A 16 SER HB2 A 19 GLU HB3 1.0 . 4.51 455 455 A 16 SER HB2 A 19 GLU HG2 1.0 . 5.50 456 456 A 16 SER HB2 A 19 GLU H 1.0 . 4.20 457 457 A 17 LEU H A 16 SER HB3 1.0 . 3.69 458 458 A 17 LEU HDx% A 16 SER HB3 1.0 . 5.16 459 459 A 16 SER HB3 A 18 SER H 1.0 . 4.86 460 460 A 16 SER HB3 A 19 GLU HB3 1.0 . 3.64 461 461 A 16 SER HB3 A 19 GLU HG2 1.0 . 5.50 462 462 A 16 SER H A 16 SER HB3 1.0 . 3.36 463 463 A 16 SER H A 17 LEU H 1.0 . 4.56 464 464 A 16 SER H A 19 GLU HB2 1.0 . 3.63 465 465 A 16 SER H A 19 GLU HB3 1.0 . 3.09 466 466 A 16 SER H A 19 GLU HG2 1.0 . 3.89 467 467 A 16 SER H A 19 GLU H 1.0 . 4.12 468 468 A 20 LEU HA A 16 SER H 1.0 . 4.43 469 469 A 20 LEU HB2 A 16 SER H 1.0 . 5.46 470 470 A 16 SER H A 20 LEU H 1.0 . 4.67 471 471 A 17 LEU HA A 17 LEU HG 1.0 . 4.19 472 472 A 17 LEU HA A 17 LEU HDx% 1.0 . 4.00 473 473 A 17 LEU HA A 17 LEU HDy% 1.0 . 4.36 474 474 A 20 LEU HB2 A 17 LEU HA 1.0 . 5.11 475 475 A 17 LEU HA A 20 LEU HB3 1.0 . 4.68 476 476 A 31 LEU HB2 A 17 LEU HA 1.0 . 5.50 477 477 A 17 LEU HA A 31 LEU HB3 1.0 . 4.94 478 478 A 17 LEU HA A 31 LEU HG 1.0 . 5.50 479 479 A 17 LEU HDy% A 17 LEU HB2 1.0 . 3.27 480 480 A 17 LEU HB2 A 28 LYS HE3 1.0 . 3.39 481 481 A 17 LEU HB2 A 28 LYS HG3 1.0 . 4.13 482 482 A 17 LEU HB2 A 32 SER HA 1.0 . 4.67 483 483 A 17 LEU HB2 A 32 SER HB3 1.0 . 5.11 484 484 A 17 LEU HB2 A 32 SER H 1.0 . 4.49 485 485 A 17 LEU HG A 17 LEU HB3 1.0 . 2.96 486 486 A 17 LEU HDx% A 17 LEU HB3 1.0 . 3.60 487 487 A 17 LEU HDy% A 17 LEU HB3 1.0 . 3.94 488 488 A 17 LEU HB3 A 18 SER HA 1.0 . 4.92 489 489 A 17 LEU HB3 A 18 SER HB3 1.0 . 5.50 490 490 A 17 LEU HB3 A 28 LYS HE3 1.0 . 5.50 491 491 A 17 LEU HB3 A 28 LYS HG3 1.0 . 5.09 492 492 A 17 LEU HB3 A 32 SER HB3 1.0 . 5.50 493 493 A 17 LEU HG A 28 LYS HE3 1.0 . 5.50 494 494 A 17 LEU HG A 32 SER HB3 1.0 . 5.25 495 495 A 17 LEU HG A 17 LEU H 1.0 . 3.16 496 496 A 17 LEU H A 17 LEU HDx% 1.0 . 4.00 497 497 A 17 LEU H A 18 SER H 1.0 . 4.06 498 498 A 17 LEU H A 19 GLU HB3 1.0 . 4.98 499 499 A 17 LEU H A 19 GLU H 1.0 . 5.39 500 500 A 17 LEU H A 28 LYS HG3 1.0 . 5.50 501 501 A 17 LEU HDx% A 18 SER H 1.0 . 4.30 502 502 A 17 LEU HDx% A 28 LYS HE3 1.0 . 5.49 503 503 A 17 LEU HDx% A 32 SER HB3 1.0 . 4.96 504 504 A 17 LEU HDy% A 28 LYS HD3 1.0 . 4.40 505 505 A 17 LEU HDy% A 28 LYS HG3 1.0 . 5.50 506 506 A 17 LEU HDy% A 32 SER HA 1.0 . 3.12 507 507 A 17 LEU HDy% A 32 SER HB3 1.0 . 3.92 508 508 A 17 LEU HDy% A 35 GLU HB2 1.0 . 5.50 509 509 A 20 LEU HB3 A 18 SER HA 1.0 . 5.50 510 510 A 18 SER HA A 21 ALA HB% 1.0 . 5.50 511 511 A 18 SER HA A 28 LYS HB3 1.0 . 5.50 512 512 A 28 LYS HG3 A 18 SER HA 1.0 . 3.75 513 513 A 19 GLU H A 18 SER HB3 1.0 . 3.00 514 514 A 18 SER H A 18 SER HB3 1.0 . 2.65 515 515 A 19 GLU HB3 A 18 SER H 1.0 . 4.36 516 516 A 19 GLU HG2 A 18 SER H 1.0 . 5.50 517 517 A 19 GLU H A 18 SER H 1.0 . 3.27 518 518 A 20 LEU HB3 A 18 SER H 1.0 . 5.38 519 519 A 18 SER H A 28 LYS HA 1.0 . 5.50 520 520 A 18 SER H A 28 LYS HE3 1.0 . 5.03 521 521 A 18 SER H A 28 LYS HG3 1.0 . 4.19 522 522 A 18 SER O A 22 GLU H 1.0 . 2.00 523 523 A 18 SER O A 22 GLU N 1.0 . 3.00 524 524 A 19 GLU HB2 A 19 GLU HA 1.0 . 2.86 525 525 A 19 GLU HG2 A 19 GLU HA 1.0 . 3.75 526 526 A 19 GLU HG3 A 19 GLU HA 1.0 . 2.87 527 527 A 19 GLU HA A 22 GLU HG3 1.0 . 3.70 528 528 A 23 LYS HE3 A 19 GLU HA 1.0 . 5.02 529 529 A 19 GLU HA A 23 LYS HG3 1.0 . 4.66 530 530 A 19 GLU HB2 A 19 GLU HG2 1.0 . 2.91 531 531 A 19 GLU HB2 A 19 GLU HG3 1.0 . 2.82 532 532 A 20 LEU HB2 A 19 GLU HB2 1.0 . 5.50 533 533 A 20 LEU HB3 A 19 GLU HB2 1.0 . 5.33 534 534 A 20 LEU H A 19 GLU HB2 1.0 . 3.14 535 535 A 19 GLU HB2 A 22 GLU HG3 1.0 . 5.50 536 536 A 19 GLU HB2 A 23 LYS HE3 1.0 . 3.71 537 537 A 19 GLU HB3 A 19 GLU HG2 1.0 . 2.40 538 538 A 20 LEU HA A 19 GLU HB3 1.0 . 5.44 539 539 A 20 LEU HB2 A 19 GLU HB3 1.0 . 5.50 540 540 A 20 LEU H A 19 GLU HB3 1.0 . 3.23 541 541 A 21 ALA H A 19 GLU HB3 1.0 . 4.85 542 542 A 23 LYS HD2 A 19 GLU HB3 1.0 . 5.50 543 543 A 19 GLU HB3 A 23 LYS HE3 1.0 . 4.72 544 544 A 23 LYS HD2 A 19 GLU HG2 1.0 . 5.50 545 545 A 19 GLU HG2 A 23 LYS HE3 1.0 . 4.27 546 546 A 23 LYS HD2 A 19 GLU HG3 1.0 . 5.50 547 547 A 19 GLU HG3 A 23 LYS HE3 1.0 . 4.76 548 548 A 19 GLU H A 19 GLU HA 1.0 . 2.92 549 549 A 19 GLU HB2 A 19 GLU H 1.0 . 3.59 550 550 A 19 GLU HB3 A 19 GLU H 1.0 . 3.53 551 551 A 20 LEU HB2 A 19 GLU H 1.0 . 5.46 552 552 A 20 LEU HB3 A 19 GLU H 1.0 . 5.35 553 553 A 20 LEU H A 19 GLU H 1.0 . 3.06 554 554 A 19 GLU O A 23 LYS H 1.0 . 2.00 555 555 A 19 GLU O A 23 LYS N 1.0 . 3.00 556 556 A 20 LEU HA A 20 LEU HG 1.0 . 4.25 557 557 A 20 LEU HDy% A 20 LEU HA 1.0 . 2.63 558 558 A 20 LEU HA A 23 LYS HB2 1.0 . 3.38 559 559 A 20 LEU HA A 23 LYS HD2 1.0 . 5.50 560 560 A 20 LEU HA A 23 LYS HE3 1.0 . 5.50 561 561 A 20 LEU HA A 23 LYS HG2 1.0 . 5.50 562 562 A 20 LEU HA A 23 LYS HG3 1.0 . 5.50 563 563 A 20 LEU HA A 23 LYS H 1.0 . 4.81 564 564 A 20 LEU HA A 24 ALA H 1.0 . 4.15 565 565 A 20 LEU HA A 24 ALA HB% 1.0 . 5.50 566 566 A 20 LEU HDx% A 20 LEU HB2 1.0 . 3.07 567 567 A 20 LEU HDy% A 20 LEU HB2 1.0 . 3.32 568 568 A 20 LEU HB2 A 21 ALA H 1.0 . 4.14 569 569 A 31 LEU HB2 A 20 LEU HB2 1.0 . 5.50 570 570 A 20 LEU HDx% A 20 LEU HB3 1.0 . 3.18 571 571 A 20 LEU HDy% A 20 LEU HB3 1.0 . 3.85 572 572 A 20 LEU HB3 A 21 ALA HA 1.0 . 4.62 573 573 A 20 LEU HB3 A 21 ALA H 1.0 . 3.08 574 574 A 31 LEU HB2 A 20 LEU HB3 1.0 . 5.50 575 575 A 20 LEU HB3 A 31 LEU HG 1.0 . 2.92 576 576 A 31 LEU HDx% A 20 LEU HG 1.0 . 5.50 577 577 A 50 VAL HGy% A 20 LEU HG 1.0 . 5.50 578 578 A 20 LEU HB2 A 20 LEU H 1.0 . 2.96 579 579 A 20 LEU HDy% A 20 LEU H 1.0 . 4.76 580 580 A 24 ALA H A 20 LEU O 1.0 . 2.00 581 581 A 20 LEU O A 24 ALA N 1.0 . 3.00 582 582 A 20 LEU HDx% A 31 LEU HB2 1.0 . 4.05 583 583 A 20 LEU HDx% A 31 LEU HG 1.0 . 3.42 584 584 A 20 LEU HDx% A 50 VAL HA 1.0 . 5.47 585 585 A 20 LEU HDx% A 50 VAL HGx% 1.0 . 5.50 586 586 A 20 LEU HDx% A 50 VAL HGy% 1.0 . 4.16 587 587 A 20 LEU HDx% A 54 LEU HDx% 1.0 . 3.27 588 588 A 20 LEU HDy% A 23 LYS HB2 1.0 . 5.36 589 589 A 20 LEU HDy% A 23 LYS HD2 1.0 . 4.27 590 590 A 20 LEU HDy% A 24 ALA H 1.0 . 3.80 591 591 A 20 LEU HDy% A 24 ALA HB% 1.0 . 4.56 592 592 A 31 LEU HDx% A 20 LEU HDy% 1.0 . 5.50 593 593 A 50 VAL HGy% A 20 LEU HDy% 1.0 . 4.89 594 594 A 54 LEU HB2 A 20 LEU HDy% 1.0 . 5.50 595 595 A 54 LEU HG A 20 LEU HDy% 1.0 . 2.82 596 596 A 24 ALA H A 21 ALA HA 1.0 . 4.64 597 597 A 24 ALA HB% A 21 ALA HA 1.0 . 3.40 598 598 A 21 ALA HA A 26 VAL HA 1.0 . 5.24 599 599 A 21 ALA HA A 26 VAL HB 1.0 . 4.86 600 600 A 21 ALA HA A 26 VAL HGy% 1.0 . 2.40 601 601 A 31 LEU HG A 21 ALA HA 1.0 . 5.50 602 602 A 31 LEU HDx% A 21 ALA HA 1.0 . 5.50 603 603 A 21 ALA HA A 31 LEU HDy% 1.0 . 2.88 604 604 A 21 ALA HA A 46 PHE HE% 1.0 . 5.50 605 605 A 21 ALA H A 21 ALA HA 1.0 . 2.91 606 606 A 21 ALA H A 21 ALA HB% 1.0 . 3.19 607 607 A 21 ALA H A 22 GLU HG3 1.0 . 5.46 608 608 A 21 ALA H A 31 LEU HG 1.0 . 3.75 609 609 A 21 ALA H A 31 LEU HDy% 1.0 . 3.62 610 610 A 21 ALA HB% A 22 GLU HA 1.0 . 4.93 611 611 A 21 ALA HB% A 22 GLU H 1.0 . 5.01 612 612 A 21 ALA HB% A 26 VAL HB 1.0 . 5.50 613 613 A 21 ALA HB% A 26 VAL H 1.0 . 4.09 614 614 A 21 ALA HB% A 26 VAL HGy% 1.0 . 5.50 615 615 A 21 ALA HB% A 28 LYS HA 1.0 . 2.88 616 616 A 21 ALA HB% A 28 LYS H 1.0 . 5.35 617 617 A 31 LEU HB3 A 21 ALA HB% 1.0 . 4.06 618 618 A 21 ALA HB% A 31 LEU HDy% 1.0 . 2.67 619 619 A 22 GLU HA A 22 GLU HB2 1.0 . 2.55 620 620 A 22 GLU HA A 22 GLU HB3 1.0 . 2.73 621 621 A 23 LYS HG2 A 22 GLU HB2 1.0 . 5.50 622 622 A 23 LYS HG3 A 22 GLU HB2 1.0 . 5.50 623 623 A 22 GLU HB2 A 25 GLY H 1.0 . 5.49 624 624 A 22 GLU HG3 A 22 GLU HB3 1.0 . 2.73 625 625 A 23 LYS HE3 A 22 GLU HG2 1.0 . 5.50 626 626 A 23 LYS HG2 A 22 GLU HG2 1.0 . 5.50 627 627 A 23 LYS HG3 A 22 GLU HG2 1.0 . 5.33 628 628 A 23 LYS H A 22 GLU HG2 1.0 . 3.61 629 629 A 23 LYS HE3 A 22 GLU HG3 1.0 . 5.50 630 630 A 22 GLU HG3 A 25 GLY H 1.0 . 5.50 631 631 A 22 GLU H A 22 GLU HB3 1.0 . 2.90 632 632 A 22 GLU H A 22 GLU HG3 1.0 . 3.19 633 633 A 22 GLU H A 23 LYS H 1.0 . 3.37 634 634 A 22 GLU H A 24 ALA HB% 1.0 . 5.30 635 635 A 23 LYS HD2 A 23 LYS HA 1.0 . 5.50 636 636 A 23 LYS HG2 A 23 LYS HA 1.0 . 3.73 637 637 A 23 LYS HD2 A 23 LYS HB2 1.0 . 2.95 638 638 A 23 LYS HE3 A 23 LYS HB2 1.0 . 5.50 639 639 A 23 LYS HG3 A 23 LYS HB2 1.0 . 2.51 640 640 A 23 LYS HB2 A 24 ALA HA 1.0 . 5.50 641 641 A 23 LYS HB2 A 24 ALA H 1.0 . 3.15 642 642 A 23 LYS HB2 A 24 ALA HB% 1.0 . 4.90 643 643 A 23 LYS HB2 A 25 GLY H 1.0 . 4.75 644 644 A 53 VAL HGx% A 23 LYS HB2 1.0 . 3.68 645 645 A 23 LYS HD3 A 23 LYS HB3 1.0 . 3.18 646 646 A 23 LYS HE3 A 23 LYS HB3 1.0 . 5.50 647 647 A 23 LYS HG2 A 23 LYS HB3 1.0 . 2.55 648 648 A 24 ALA HA A 23 LYS HB3 1.0 . 5.50 649 649 A 53 VAL HGx% A 23 LYS HB3 1.0 . 4.04 650 650 A 53 VAL HGy% A 23 LYS HB3 1.0 . 3.43 651 651 A 23 LYS HD2 A 53 VAL HGx% 1.0 . 4.55 652 652 A 23 LYS HD3 A 53 VAL HGy% 1.0 . 5.34 653 653 A 53 VAL HGy% A 23 LYS HG2 1.0 . 5.05 654 654 A 23 LYS H A 23 LYS HB2 1.0 . 2.84 655 655 A 23 LYS HG3 A 23 LYS H 1.0 . 4.13 656 656 A 23 LYS H A 24 ALA H 1.0 . 2.83 657 657 A 23 LYS H A 24 ALA HB% 1.0 . 4.53 658 658 A 23 LYS H A 25 GLY H 1.0 . 3.89 659 659 A 24 ALA HA A 49 LYS HB3 1.0 . 5.50 660 660 A 24 ALA HA A 49 LYS HE3 1.0 . 5.50 661 661 A 50 VAL HA A 24 ALA HA 1.0 . 4.04 662 662 A 50 VAL HGx% A 24 ALA HA 1.0 . 5.50 663 663 A 24 ALA HA A 53 VAL HB 1.0 . 5.50 664 664 A 53 VAL HGx% A 24 ALA HA 1.0 . 3.33 665 665 A 53 VAL HGy% A 24 ALA HA 1.0 . 2.66 666 666 A 24 ALA H A 24 ALA HB% 1.0 . 3.47 667 667 A 24 ALA H A 25 GLY H 1.0 . 2.98 668 668 A 24 ALA H A 50 VAL HA 1.0 . 5.50 669 669 A 50 VAL HGy% A 24 ALA H 1.0 . 5.50 670 670 A 53 VAL HGy% A 24 ALA H 1.0 . 4.13 671 671 A 24 ALA HB% A 25 GLY H 1.0 . 3.39 672 672 A 24 ALA HB% A 26 VAL HA 1.0 . 5.50 673 673 A 24 ALA HB% A 26 VAL HB 1.0 . 4.77 674 674 A 24 ALA HB% A 26 VAL H 1.0 . 3.56 675 675 A 24 ALA HB% A 26 VAL HGy% 1.0 . 2.62 676 676 A 31 LEU HG A 24 ALA HB% 1.0 . 5.50 677 677 A 31 LEU HDx% A 24 ALA HB% 1.0 . 5.50 678 678 A 24 ALA HB% A 49 LYS HB2 1.0 . 5.50 679 679 A 24 ALA HB% A 49 LYS HB3 1.0 . 4.54 680 680 A 24 ALA HB% A 50 VAL HA 1.0 . 2.89 681 681 A 24 ALA HB% A 50 VAL HB 1.0 . 5.19 682 682 A 24 ALA HB% A 50 VAL H 1.0 . 3.99 683 683 A 24 ALA HB% A 50 VAL HGx% 1.0 . 4.15 684 684 A 50 VAL HGy% A 24 ALA HB% 1.0 . 5.50 685 685 A 53 VAL HGx% A 24 ALA HB% 1.0 . 3.11 686 686 A 26 VAL HA A 25 GLY HA3 1.0 . 4.99 687 687 A 25 GLY HA3 A 26 VAL HGx% 1.0 . 4.78 688 688 A 26 VAL HGy% A 25 GLY HA3 1.0 . 5.50 689 689 A 49 LYS HB3 A 25 GLY HA3 1.0 . 5.50 690 690 A 49 LYS HE3 A 25 GLY HA3 1.0 . 3.94 691 691 A 26 VAL H A 25 GLY H 1.0 . 3.26 692 692 A 26 VAL HGy% A 25 GLY H 1.0 . 3.94 693 693 A 26 VAL HA A 26 VAL HB 1.0 . 2.54 694 694 A 26 VAL HA A 26 VAL HGx% 1.0 . 2.43 695 695 A 26 VAL HA A 26 VAL HGy% 1.0 . 3.54 696 696 A 26 VAL HA A 27 ALA HB% 1.0 . 4.69 697 697 A 26 VAL HA A 30 TYR HD% 1.0 . 5.50 698 698 A 26 VAL HA A 46 PHE HD% 1.0 . 5.50 699 699 A 26 VAL HA A 46 PHE HE% 1.0 . 5.50 700 700 A 26 VAL HA A 49 LYS HB3 1.0 . 5.50 701 701 A 26 VAL HA A 49 LYS HD3 1.0 . 5.50 702 702 A 26 VAL HA A 49 LYS HE3 1.0 . 5.50 703 703 A 26 VAL HB A 27 ALA HA 1.0 . 5.11 704 704 A 26 VAL HB A 27 ALA H 1.0 . 4.50 705 705 A 26 VAL HB A 27 ALA HB% 1.0 . 5.50 706 706 A 26 VAL HB A 30 TYR HB2 1.0 . 4.50 707 707 A 26 VAL HB A 30 TYR HB3 1.0 . 4.47 708 708 A 26 VAL HB A 30 TYR H 1.0 . 5.50 709 709 A 26 VAL HB A 30 TYR HD% 1.0 . 4.44 710 710 A 26 VAL HB A 46 PHE HD% 1.0 . 3.38 711 711 A 26 VAL HB A 46 PHE HE% 1.0 . 3.23 712 712 A 26 VAL HB A 49 LYS HB3 1.0 . 5.38 713 713 A 26 VAL HB A 26 VAL H 1.0 . 3.87 714 714 A 26 VAL HGy% A 26 VAL H 1.0 . 3.59 715 715 A 26 VAL H A 27 ALA HA 1.0 . 5.35 716 716 A 26 VAL H A 49 LYS HB3 1.0 . 5.50 717 717 A 26 VAL H A 49 LYS HE3 1.0 . 5.50 718 718 A 26 VAL HGx% A 27 ALA H 1.0 . 4.06 719 719 A 26 VAL HGx% A 30 TYR HB3 1.0 . 5.50 720 720 A 31 LEU HDx% A 26 VAL HGx% 1.0 . 5.50 721 721 A 26 VAL HGx% A 46 PHE HA 1.0 . 5.07 722 722 A 26 VAL HGx% A 46 PHE HB3 1.0 . 5.50 723 723 A 49 LYS HB2 A 26 VAL HGx% 1.0 . 4.85 724 724 A 49 LYS HB3 A 26 VAL HGx% 1.0 . 2.69 725 725 A 26 VAL HGx% A 49 LYS HD3 1.0 . 5.50 726 726 A 50 VAL H A 26 VAL HGx% 1.0 . 3.89 727 727 A 50 VAL HGx% A 26 VAL HGx% 1.0 . 3.69 728 728 A 26 VAL HGy% A 27 ALA HA 1.0 . 5.50 729 729 A 26 VAL HGy% A 27 ALA H 1.0 . 4.37 730 730 A 28 LYS HA A 26 VAL HGy% 1.0 . 4.69 731 731 A 26 VAL HGy% A 28 LYS H 1.0 . 5.50 732 732 A 26 VAL HGy% A 30 TYR HB2 1.0 . 3.76 733 733 A 26 VAL HGy% A 30 TYR HB3 1.0 . 5.50 734 734 A 26 VAL HGy% A 30 TYR H 1.0 . 5.36 735 735 A 26 VAL HGy% A 31 LEU HDy% 1.0 . 2.45 736 736 A 26 VAL HGy% A 46 PHE HE% 1.0 . 2.73 737 737 A 26 VAL HGy% A 49 LYS HD3 1.0 . 5.50 738 738 A 26 VAL HGy% A 50 VAL HB 1.0 . 5.50 739 739 A 28 LYS HA A 27 ALA HA 1.0 . 4.56 740 740 A 28 LYS HB3 A 27 ALA HA 1.0 . 5.12 741 741 A 27 ALA HB% A 27 ALA H 1.0 . 3.71 742 742 A 27 ALA H A 30 TYR HB2 1.0 . 4.30 743 743 A 27 ALA H A 30 TYR HB3 1.0 . 4.39 744 744 A 27 ALA H A 30 TYR H 1.0 . 4.98 745 745 A 31 LEU HDy% A 27 ALA H 1.0 . 4.50 746 746 A 28 LYS H A 27 ALA HB% 1.0 . 5.50 747 747 A 27 ALA HB% A 29 SER HB3 1.0 . 3.36 748 748 A 27 ALA HB% A 30 TYR HA 1.0 . 4.94 749 749 A 27 ALA HB% A 30 TYR HB2 1.0 . 3.97 750 750 A 27 ALA HB% A 30 TYR H 1.0 . 3.08 751 751 A 27 ALA HB% A 30 TYR HD% 1.0 . 3.95 752 752 A 28 LYS HD3 A 28 LYS HA 1.0 . 3.85 753 753 A 28 LYS HG3 A 28 LYS HA 1.0 . 3.49 754 754 A 28 LYS HA A 30 TYR H 1.0 . 4.38 755 755 A 31 LEU HB2 A 28 LYS HA 1.0 . 5.25 756 756 A 31 LEU HB3 A 28 LYS HA 1.0 . 3.58 757 757 A 31 LEU HG A 28 LYS HA 1.0 . 5.50 758 758 A 28 LYS HA A 31 LEU H 1.0 . 3.70 759 759 A 28 LYS HA A 31 LEU HDy% 1.0 . 5.39 760 760 A 32 SER H A 28 LYS HA 1.0 . 4.84 761 761 A 28 LYS HD3 A 28 LYS HB3 1.0 . 3.00 762 762 A 28 LYS HE3 A 28 LYS HB3 1.0 . 5.50 763 763 A 28 LYS HB3 A 29 SER HA 1.0 . 4.52 764 764 A 28 LYS HB3 A 29 SER HB3 1.0 . 5.50 765 765 A 28 LYS HB3 A 30 TYR H 1.0 . 5.26 766 766 A 28 LYS HD3 A 30 TYR H 1.0 . 5.08 767 767 A 32 SER HB3 A 28 LYS HD3 1.0 . 3.81 768 768 A 32 SER H A 28 LYS HD3 1.0 . 4.35 769 769 A 28 LYS HG3 A 28 LYS HD3 1.0 . 2.75 770 770 A 28 LYS HG3 A 29 SER HA 1.0 . 5.11 771 771 A 28 LYS HG3 A 32 SER H 1.0 . 4.80 772 772 A 28 LYS HG3 A 28 LYS H 1.0 . 5.50 773 773 A 28 LYS H A 29 SER H 1.0 . 5.50 774 774 A 32 SER H A 28 LYS O 1.0 . 2.00 775 775 A 28 LYS O A 32 SER N 1.0 . 3.00 776 776 A 29 SER HB3 A 29 SER HA 1.0 . 3.00 777 777 A 32 SER H A 29 SER HA 1.0 . 3.67 778 778 A 30 TYR H A 29 SER HB3 1.0 . 3.47 779 779 A 29 SER O A 33 SER H 1.0 . 2.00 780 780 A 29 SER O A 33 SER N 1.0 . 3.00 781 781 A 30 TYR O A 34 ILE H 1.0 . 2.00 782 782 A 30 TYR HB3 A 30 TYR HA 1.0 . 2.84 783 783 A 30 TYR HD% A 30 TYR HA 1.0 . 3.09 784 784 A 30 TYR HA A 30 TYR HE% 1.0 . 5.09 785 785 A 31 LEU HA A 30 TYR HA 1.0 . 5.06 786 786 A 32 SER H A 30 TYR HA 1.0 . 4.67 787 787 A 30 TYR HA A 33 SER HB3 1.0 . 3.10 788 788 A 30 TYR HA A 33 SER H 1.0 . 3.51 789 789 A 30 TYR HA A 34 ILE HG13 1.0 . 5.50 790 790 A 30 TYR HA A 34 ILE H 1.0 . 4.32 791 791 A 30 TYR HA A 38 LEU HG 1.0 . 5.21 792 792 A 30 TYR HA A 38 LEU HDy% 1.0 . 5.50 793 793 A 31 LEU HA A 30 TYR HB2 1.0 . 4.63 794 794 A 30 TYR HB2 A 31 LEU H 1.0 . 3.04 795 795 A 32 SER H A 30 TYR HB2 1.0 . 5.50 796 796 A 46 PHE HE% A 30 TYR HB2 1.0 . 5.00 797 797 A 30 TYR HB3 A 31 LEU H 1.0 . 3.49 798 798 A 32 SER H A 30 TYR HB3 1.0 . 5.50 799 799 A 30 TYR HB3 A 33 SER H 1.0 . 5.50 800 800 A 46 PHE HE% A 30 TYR HB3 1.0 . 5.50 801 801 A 30 TYR HB2 A 30 TYR H 1.0 . 3.22 802 802 A 31 LEU HB3 A 30 TYR H 1.0 . 4.97 803 803 A 30 TYR H A 31 LEU H 1.0 . 3.13 804 804 A 32 SER H A 30 TYR H 1.0 . 4.31 805 805 A 30 TYR O A 34 ILE N 1.0 . 3.00 806 806 A 31 LEU HA A 30 TYR HD% 1.0 . 5.11 807 807 A 31 LEU HDx% A 30 TYR HD% 1.0 . 5.37 808 808 A 31 LEU HDy% A 30 TYR HD% 1.0 . 5.50 809 809 A 30 TYR HD% A 34 ILE HG12 1.0 . 4.79 810 810 A 30 TYR HD% A 34 ILE HG13 1.0 . 3.27 811 811 A 30 TYR HD% A 34 ILE HD1% 1.0 . 3.98 812 812 A 30 TYR HD% A 38 LEU HB2 1.0 . 5.50 813 813 A 30 TYR HD% A 38 LEU HG 1.0 . 5.50 814 814 A 46 PHE HE% A 30 TYR HD% 1.0 . 5.50 815 815 A 30 TYR HE% A 34 ILE HG12 1.0 . 4.24 816 816 A 30 TYR HE% A 34 ILE HG13 1.0 . 4.70 817 817 A 30 TYR HE% A 34 ILE HD1% 1.0 . 3.62 818 818 A 30 TYR HE% A 38 LEU HDx% 1.0 . 3.50 819 819 A 30 TYR HE% A 43 SER H 1.0 . 5.34 820 820 A 31 LEU HA A 31 LEU HB2 1.0 . 2.99 821 821 A 31 LEU HA A 31 LEU HG 1.0 . 3.73 822 822 A 31 LEU HA A 31 LEU HDx% 1.0 . 3.02 823 823 A 31 LEU HA A 31 LEU HDy% 1.0 . 3.86 824 824 A 31 LEU HA A 34 ILE HB 1.0 . 3.49 825 825 A 31 LEU HA A 34 ILE HG12 1.0 . 3.66 826 826 A 31 LEU HA A 34 ILE HG13 1.0 . 3.34 827 827 A 31 LEU HA A 34 ILE HD1% 1.0 . 5.50 828 828 A 31 LEU HA A 35 GLU HG3 1.0 . 5.33 829 829 A 31 LEU HB2 A 31 LEU HG 1.0 . 2.96 830 830 A 31 LEU HB2 A 31 LEU HDx% 1.0 . 3.49 831 831 A 31 LEU HB2 A 32 SER H 1.0 . 4.67 832 832 A 31 LEU HB3 A 31 LEU HDy% 1.0 . 3.05 833 833 A 31 LEU HB3 A 32 SER H 1.0 . 3.19 834 834 A 31 LEU HDx% A 31 LEU H 1.0 . 3.90 835 835 A 31 LEU HDy% A 31 LEU H 1.0 . 3.34 836 836 A 32 SER H A 31 LEU H 1.0 . 3.31 837 837 A 31 LEU H A 34 ILE H 1.0 . 4.84 838 838 A 31 LEU O A 35 GLU H 1.0 . 2.00 839 839 A 31 LEU O A 35 GLU N 1.0 . 3.00 840 840 A 31 LEU HDx% A 35 GLU HG3 1.0 . 5.50 841 841 A 31 LEU HDx% A 46 PHE HE% 1.0 . 4.78 842 842 A 50 VAL HGy% A 31 LEU HDx% 1.0 . 5.50 843 843 A 54 LEU HDx% A 31 LEU HDx% 1.0 . 5.50 844 844 A 31 LEU HDy% A 34 ILE HG12 1.0 . 5.50 845 845 A 50 VAL HGx% A 31 LEU HDy% 1.0 . 5.50 846 846 A 32 SER HA A 34 ILE HB 1.0 . 5.50 847 847 A 32 SER HA A 35 GLU HB2 1.0 . 4.02 848 848 A 35 GLU HB3 A 32 SER HA 1.0 . 5.50 849 849 A 35 GLU HG2 A 32 SER HA 1.0 . 5.50 850 850 A 35 GLU HG3 A 32 SER HA 1.0 . 5.50 851 851 A 32 SER HA A 35 GLU H 1.0 . 4.08 852 852 A 32 SER HA A 36 ARG HG2 1.0 . 4.91 853 853 A 32 SER H A 33 SER H 1.0 . 3.32 854 854 A 32 SER H A 34 ILE H 1.0 . 4.75 855 855 A 32 SER O A 36 ARG H 1.0 . 2.00 856 856 A 32 SER O A 36 ARG N 1.0 . 3.00 857 857 A 33 SER HA A 33 SER HB2 1.0 . 2.70 858 858 A 33 SER HA A 36 ARG HB2 1.0 . 4.96 859 859 A 33 SER HA A 36 ARG HB3 1.0 . 4.11 860 860 A 33 SER HA A 36 ARG HD3 1.0 . 5.32 861 861 A 36 ARG HG2 A 33 SER HA 1.0 . 3.42 862 862 A 33 SER HA A 36 ARG HG3 1.0 . 5.50 863 863 A 36 ARG H A 33 SER HA 1.0 . 3.37 864 864 A 38 LEU HB2 A 33 SER HB2 1.0 . 5.50 865 865 A 33 SER HB2 A 38 LEU HB3 1.0 . 5.44 866 866 A 38 LEU HG A 33 SER HB2 1.0 . 5.50 867 867 A 38 LEU HDx% A 33 SER HB2 1.0 . 5.46 868 868 A 33 SER HB3 A 34 ILE HG12 1.0 . 5.50 869 869 A 33 SER HB3 A 38 LEU HB2 1.0 . 5.03 870 870 A 33 SER HB3 A 38 LEU HB3 1.0 . 4.94 871 871 A 33 SER HB3 A 38 LEU HDx% 1.0 . 4.52 872 872 A 33 SER H A 33 SER HB3 1.0 . 2.87 873 873 A 33 SER H A 34 ILE HB 1.0 . 4.82 874 874 A 33 SER H A 34 ILE HG12 1.0 . 5.15 875 875 A 33 SER H A 34 ILE H 1.0 . 3.50 876 876 A 33 SER H A 36 ARG HG3 1.0 . 5.50 877 877 A 34 ILE HG12 A 34 ILE HA 1.0 . 3.45 878 878 A 34 ILE HD1% A 34 ILE HA 1.0 . 3.28 879 879 A 34 ILE HG2% A 34 ILE HA 1.0 . 2.92 880 880 A 38 LEU HB2 A 34 ILE HA 1.0 . 2.93 881 881 A 38 LEU HB3 A 34 ILE HA 1.0 . 3.26 882 882 A 38 LEU HG A 34 ILE HA 1.0 . 4.85 883 883 A 34 ILE HA A 38 LEU H 1.0 . 3.17 884 884 A 38 LEU HDx% A 34 ILE HA 1.0 . 4.72 885 885 A 34 ILE HA A 39 GLN HA 1.0 . 4.61 886 886 A 34 ILE HA A 39 GLN HB2 1.0 . 3.93 887 887 A 34 ILE HA A 39 GLN H 1.0 . 3.45 888 888 A 34 ILE HG13 A 34 ILE HB 1.0 . 2.98 889 889 A 34 ILE HB A 35 GLU H 1.0 . 3.75 890 890 A 38 LEU HG A 34 ILE HG12 1.0 . 5.50 891 891 A 34 ILE HG12 A 39 GLN HB2 1.0 . 5.50 892 892 A 34 ILE HG12 A 39 GLN H 1.0 . 5.35 893 893 A 46 PHE HE% A 34 ILE HG13 1.0 . 3.74 894 894 A 34 ILE H A 34 ILE HB 1.0 . 3.51 895 895 A 34 ILE H A 34 ILE HG12 1.0 . 3.18 896 896 A 34 ILE H A 34 ILE HD1% 1.0 . 3.97 897 897 A 35 GLU HG3 A 34 ILE H 1.0 . 5.43 898 898 A 34 ILE H A 35 GLU H 1.0 . 3.24 899 899 A 34 ILE H A 38 LEU HB2 1.0 . 3.89 900 900 A 34 ILE HD1% A 35 GLU H 1.0 . 5.50 901 901 A 34 ILE HD1% A 39 GLN HA 1.0 . 5.50 902 902 A 34 ILE HD1% A 39 GLN HB2 1.0 . 5.47 903 903 A 34 ILE HD1% A 39 GLN HB3 1.0 . 4.52 904 904 A 34 ILE HD1% A 39 GLN H 1.0 . 4.79 905 905 A 34 ILE HD1% A 43 SER H 1.0 . 5.50 906 906 A 34 ILE HG2% A 35 GLU H 1.0 . 3.39 907 907 A 34 ILE HG2% A 39 GLN HA 1.0 . 5.50 908 908 A 34 ILE HG2% A 39 GLN HB2 1.0 . 4.22 909 909 A 34 ILE HG2% A 39 GLN HB3 1.0 . 3.76 910 910 A 34 ILE HG2% A 39 GLN HG2 1.0 . 4.39 911 911 A 34 ILE HG2% A 39 GLN HG3 1.0 . 4.52 912 912 A 34 ILE HG2% A 39 GLN H 1.0 . 3.74 913 913 A 35 GLU HA A 35 GLU HG2 1.0 . 4.16 914 914 A 35 GLU HG3 A 35 GLU HB2 1.0 . 3.01 915 915 A 35 GLU HB2 A 36 ARG HG2 1.0 . 4.80 916 916 A 35 GLU HG3 A 36 ARG H 1.0 . 5.20 917 917 A 35 GLU HG3 A 35 GLU H 1.0 . 3.23 918 918 A 35 GLU H A 36 ARG H 1.0 . 3.34 919 919 A 36 ARG HB3 A 36 ARG HA 1.0 . 2.69 920 920 A 36 ARG HD3 A 36 ARG HA 1.0 . 3.44 921 921 A 36 ARG HG2 A 36 ARG HA 1.0 . 3.82 922 922 A 36 ARG HB2 A 36 ARG HD3 1.0 . 3.89 923 923 A 36 ARG HB2 A 36 ARG HG3 1.0 . 2.87 924 924 A 36 ARG HB3 A 36 ARG HD3 1.0 . 2.63 925 925 A 36 ARG HB3 A 36 ARG HG3 1.0 . 3.00 926 926 A 36 ARG H A 36 ARG HB2 1.0 . 4.11 927 927 A 36 ARG H A 36 ARG HB3 1.0 . 3.67 928 928 A 36 ARG H A 36 ARG HD3 1.0 . 4.59 929 929 A 36 ARG HG2 A 36 ARG H 1.0 . 4.61 930 930 A 36 ARG H A 38 LEU H 1.0 . 4.65 931 931 A 39 GLN H A 38 LEU HA 1.0 . 3.49 932 932 A 38 LEU HB3 A 39 GLN HA 1.0 . 4.15 933 933 A 38 LEU H A 39 GLN H 1.0 . 2.98 934 934 A 38 LEU H A 40 THR HG2% 1.0 . 5.11 935 935 A 39 GLN HA A 40 THR HG2% 1.0 . 4.82 936 936 A 39 GLN HB2 A 41 ASN H 1.0 . 5.50 937 937 A 39 GLN HG2 A 41 ASN H 1.0 . 5.50 938 938 A 43 SER HA A 46 PHE H 1.0 . 4.32 939 939 A 43 SER HA A 47 LEU H 1.0 . 5.11 940 940 A 43 SER HB3 A 46 PHE HB2 1.0 . 4.82 941 941 A 46 PHE HB3 A 43 SER HB3 1.0 . 4.23 942 942 A 46 PHE HD% A 43 SER HB3 1.0 . 5.50 943 943 A 43 SER HB3 A 47 LEU HDx% 1.0 . 5.50 944 944 A 46 PHE HB3 A 43 SER H 1.0 . 4.15 945 945 A 46 PHE HD% A 43 SER H 1.0 . 4.93 946 946 A 43 SER H A 47 LEU HDx% 1.0 . 3.90 947 947 A 44 ILE HA A 47 LEU HB2 1.0 . 4.38 948 948 A 44 ILE HA A 47 LEU HG 1.0 . 5.50 949 949 A 47 LEU H A 44 ILE HA 1.0 . 3.75 950 950 A 47 LEU HDx% A 44 ILE HA 1.0 . 2.40 951 951 A 44 ILE HA A 48 GLU HG3 1.0 . 4.84 952 952 A 44 ILE HA A 58 VAL HGx% 1.0 . 4.71 953 953 A 48 GLU HG3 A 44 ILE HB 1.0 . 4.98 954 954 A 58 VAL HGx% A 44 ILE HG13 1.0 . 5.39 955 955 A 46 PHE H A 44 ILE H 1.0 . 5.38 956 956 A 44 ILE O A 48 GLU H 1.0 . 2.00 957 957 A 44 ILE O A 48 GLU N 1.0 . 3.00 958 958 A 48 GLU HG3 A 44 ILE HG2% 1.0 . 4.25 959 959 A 58 VAL HGx% A 44 ILE HG2% 1.0 . 2.90 960 960 A 45 GLN HA A 48 GLU HG2 1.0 . 3.50 961 961 A 48 GLU HG3 A 45 GLN HA 1.0 . 2.66 962 962 A 48 GLU H A 45 GLN HA 1.0 . 4.22 963 963 A 45 GLN O A 49 LYS H 1.0 . 2.00 964 964 A 45 GLN O A 49 LYS N 1.0 . 3.00 965 965 A 49 LYS HB3 A 46 PHE HA 1.0 . 3.64 966 966 A 46 PHE HA A 49 LYS HG2 1.0 . 5.20 967 967 A 46 PHE HA A 49 LYS HG3 1.0 . 4.53 968 968 A 50 VAL HGx% A 46 PHE HA 1.0 . 5.50 969 969 A 46 PHE HB3 A 48 GLU H 1.0 . 5.49 970 970 A 46 PHE H A 48 GLU HG3 1.0 . 4.52 971 971 A 46 PHE H A 48 GLU H 1.0 . 4.94 972 972 A 46 PHE H A 49 LYS HG3 1.0 . 4.79 973 973 A 50 VAL H A 46 PHE O 1.0 . 2.00 974 974 A 46 PHE O A 50 VAL N 1.0 . 3.00 975 975 A 46 PHE HE% A 50 VAL HB 1.0 . 4.64 976 976 A 61 LEU HDx% A 46 PHE HE% 1.0 . 4.22 977 977 A 49 LYS H A 47 LEU HA 1.0 . 5.50 978 978 A 50 VAL H A 47 LEU HA 1.0 . 3.47 979 979 A 50 VAL HGx% A 47 LEU HA 1.0 . 3.52 980 980 A 58 VAL HGx% A 47 LEU HA 1.0 . 5.20 981 981 A 47 LEU HDx% A 47 LEU HB2 1.0 . 3.53 982 982 A 47 LEU HB2 A 51 SER HB3 1.0 . 5.50 983 983 A 47 LEU HB2 A 58 VAL HA 1.0 . 5.50 984 984 A 47 LEU HB2 A 58 VAL HGx% 1.0 . 2.69 985 985 A 51 SER HB3 A 47 LEU HB3 1.0 . 5.50 986 986 A 58 VAL HA A 47 LEU HB3 1.0 . 4.16 987 987 A 58 VAL HGx% A 47 LEU HB3 1.0 . 2.73 988 988 A 47 LEU HB3 A 58 VAL HGy% 1.0 . 3.24 989 989 A 61 LEU HDx% A 47 LEU HB3 1.0 . 4.08 990 990 A 47 LEU HG A 58 VAL HGx% 1.0 . 5.14 991 991 A 47 LEU H A 49 LYS HG3 1.0 . 4.60 992 992 A 50 VAL HGx% A 47 LEU H 1.0 . 5.50 993 993 A 47 LEU O A 51 SER H 1.0 . 2.00 994 994 A 47 LEU O A 51 SER N 1.0 . 3.00 995 995 A 47 LEU HDx% A 59 HIS HA 1.0 . 5.50 996 996 A 47 LEU HDx% A 62 LEU HB2 1.0 . 5.50 997 997 A 47 LEU HDx% A 62 LEU HB3 1.0 . 5.50 998 998 A 62 LEU H A 47 LEU HDx% 1.0 . 4.94 999 999 A 61 LEU HB2 A 47 LEU HDy% 1.0 . 3.61 1000 1000 A 47 LEU HDy% A 61 LEU HG 1.0 . 4.17 1001 1001 A 61 LEU H A 47 LEU HDy% 1.0 . 4.26 1002 1002 A 61 LEU HDx% A 47 LEU HDy% 1.0 . 3.64 1003 1003 A 62 LEU HB2 A 47 LEU HDy% 1.0 . 5.50 1004 1004 A 62 LEU HB3 A 47 LEU HDy% 1.0 . 5.50 1005 1005 A 48 GLU HA A 52 ALA HB% 1.0 . 4.66 1006 1006 A 58 VAL HA A 48 GLU HA 1.0 . 4.59 1007 1007 A 48 GLU HA A 58 VAL H 1.0 . 4.91 1008 1008 A 58 VAL HGx% A 48 GLU HA 1.0 . 4.38 1009 1009 A 58 VAL HGy% A 48 GLU HA 1.0 . 2.66 1010 1010 A 58 VAL HGy% A 48 GLU HB2 1.0 . 5.50 1011 1011 A 58 VAL HGy% A 48 GLU HB3 1.0 . 4.59 1012 1012 A 48 GLU HG2 A 58 VAL HGy% 1.0 . 5.07 1013 1013 A 48 GLU HG3 A 58 VAL HGx% 1.0 . 5.25 1014 1014 A 50 VAL H A 48 GLU H 1.0 . 4.68 1015 1015 A 48 GLU H A 58 VAL HGy% 1.0 . 3.39 1016 1016 A 48 GLU O A 52 ALA H 1.0 . 2.00 1017 1017 A 48 GLU O A 52 ALA N 1.0 . 3.00 1018 1018 A 52 ALA HB% A 49 LYS HA 1.0 . 4.01 1019 1019 A 49 LYS HB3 A 51 SER H 1.0 . 5.45 1020 1020 A 49 LYS O A 53 VAL H 1.0 . 2.00 1021 1021 A 49 LYS O A 53 VAL N 1.0 . 3.00 1022 1022 A 50 VAL HA A 52 ALA H 1.0 . 4.62 1023 1023 A 50 VAL HA A 53 VAL H 1.0 . 3.91 1024 1024 A 53 VAL HGx% A 50 VAL HA 1.0 . 2.60 1025 1025 A 54 LEU HG A 50 VAL HA 1.0 . 5.50 1026 1026 A 54 LEU HG A 50 VAL HB 1.0 . 4.67 1027 1027 A 50 VAL H A 52 ALA H 1.0 . 4.50 1028 1028 A 50 VAL H A 52 ALA HB% 1.0 . 5.35 1029 1029 A 50 VAL O A 54 LEU H 1.0 . 2.00 1030 1030 A 50 VAL O A 54 LEU N 1.0 . 3.00 1031 1031 A 50 VAL HGx% A 52 ALA H 1.0 . 5.23 1032 1032 A 61 LEU HDx% A 50 VAL HGx% 1.0 . 4.41 1033 1033 A 50 VAL HGy% A 53 VAL H 1.0 . 5.50 1034 1034 A 50 VAL HGy% A 53 VAL HGx% 1.0 . 3.12 1035 1035 A 50 VAL HGy% A 54 LEU HB3 1.0 . 5.50 1036 1036 A 50 VAL HGy% A 54 LEU HG 1.0 . 4.15 1037 1037 A 50 VAL HGy% A 54 LEU H 1.0 . 4.24 1038 1038 A 54 LEU HB2 A 51 SER HA 1.0 . 5.50 1039 1039 A 54 LEU HB3 A 51 SER HA 1.0 . 4.04 1040 1040 A 54 LEU HG A 51 SER HA 1.0 . 3.93 1041 1041 A 54 LEU HDx% A 51 SER HA 1.0 . 5.50 1042 1042 A 56 VAL HB A 51 SER HA 1.0 . 5.50 1043 1043 A 51 SER HA A 56 VAL H 1.0 . 3.85 1044 1044 A 56 VAL HGx% A 51 SER HA 1.0 . 3.19 1045 1045 A 56 VAL HGy% A 51 SER HA 1.0 . 5.04 1046 1046 A 58 VAL HA A 51 SER HA 1.0 . 5.22 1047 1047 A 61 LEU HDx% A 51 SER HA 1.0 . 4.62 1048 1048 A 56 VAL HGy% A 51 SER HB2 1.0 . 5.50 1049 1049 A 51 SER HB2 A 57 SER H 1.0 . 5.50 1050 1050 A 56 VAL HGx% A 51 SER HB3 1.0 . 4.33 1051 1051 A 51 SER HB3 A 58 VAL HA 1.0 . 3.89 1052 1052 A 51 SER HB3 A 58 VAL HB 1.0 . 5.38 1053 1053 A 51 SER HB3 A 58 VAL HGy% 1.0 . 4.43 1054 1054 A 60 THR HB A 51 SER HB3 1.0 . 5.50 1055 1055 A 51 SER HB3 A 61 LEU HG 1.0 . 5.33 1056 1056 A 61 LEU H A 51 SER HB3 1.0 . 5.50 1057 1057 A 61 LEU HDx% A 51 SER HB3 1.0 . 4.47 1058 1058 A 51 SER H A 53 VAL H 1.0 . 4.76 1059 1059 A 54 LEU HG A 51 SER H 1.0 . 4.97 1060 1060 A 58 VAL HGy% A 52 ALA H 1.0 . 5.40 1061 1061 A 61 LEU HDx% A 52 ALA H 1.0 . 5.47 1062 1062 A 53 VAL HA A 55 ASP H 1.0 . 3.71 1063 1063 A 53 VAL H A 55 ASP H 1.0 . 4.29 1064 1064 A 54 LEU HB2 A 56 VAL HA 1.0 . 5.50 1065 1065 A 54 LEU HB2 A 56 VAL H 1.0 . 4.08 1066 1066 A 54 LEU HB2 A 56 VAL HGx% 1.0 . 3.15 1067 1067 A 54 LEU HB2 A 56 VAL HGy% 1.0 . 4.21 1068 1068 A 61 LEU HDy% A 54 LEU HB2 1.0 . 5.50 1069 1069 A 61 LEU HDy% A 54 LEU HB3 1.0 . 5.50 1070 1070 A 54 LEU HG A 56 VAL H 1.0 . 5.50 1071 1071 A 54 LEU HG A 56 VAL HGx% 1.0 . 5.50 1072 1072 A 54 LEU H A 56 VAL H 1.0 . 3.78 1073 1073 A 54 LEU HDx% A 56 VAL HB 1.0 . 5.17 1074 1074 A 54 LEU HDx% A 56 VAL HGx% 1.0 . 5.50 1075 1075 A 55 ASP HB3 A 55 ASP HA 1.0 . 2.85 1076 1076 A 56 VAL HA A 55 ASP HA 1.0 . 5.00 1077 1077 A 56 VAL H A 55 ASP HA 1.0 . 3.11 1078 1078 A 56 VAL HGy% A 55 ASP HA 1.0 . 4.68 1079 1079 A 56 VAL HA A 55 ASP HB2 1.0 . 5.47 1080 1080 A 55 ASP HB2 A 56 VAL H 1.0 . 4.54 1081 1081 A 56 VAL HGy% A 55 ASP HB2 1.0 . 3.86 1082 1082 A 56 VAL HA A 55 ASP HB3 1.0 . 5.50 1083 1083 A 55 ASP HB3 A 56 VAL H 1.0 . 4.37 1084 1084 A 56 VAL HGy% A 55 ASP HB3 1.0 . 4.30 1085 1085 A 55 ASP H A 55 ASP HA 1.0 . 2.52 1086 1086 A 55 ASP HB2 A 55 ASP H 1.0 . 3.59 1087 1087 A 56 VAL HA A 55 ASP H 1.0 . 5.50 1088 1088 A 56 VAL H A 55 ASP H 1.0 . 3.08 1089 1089 A 56 VAL HGy% A 55 ASP H 1.0 . 5.11 1090 1090 A 56 VAL HGy% A 56 VAL HA 1.0 . 2.51 1091 1091 A 56 VAL HA A 57 SER H 1.0 . 3.20 1092 1092 A 60 THR HG2% A 56 VAL HA 1.0 . 5.32 1093 1093 A 56 VAL HB A 57 SER HA 1.0 . 5.50 1094 1094 A 61 LEU HDy% A 56 VAL HB 1.0 . 5.22 1095 1095 A 56 VAL H A 57 SER H 1.0 . 4.61 1096 1096 A 56 VAL HGx% A 57 SER HA 1.0 . 5.00 1097 1097 A 56 VAL HGx% A 57 SER H 1.0 . 3.38 1098 1098 A 56 VAL HGx% A 58 VAL H 1.0 . 5.14 1099 1099 A 56 VAL HGx% A 60 THR HA 1.0 . 5.50 1100 1100 A 60 THR HB A 56 VAL HGx% 1.0 . 3.26 1101 1101 A 60 THR HG2% A 56 VAL HGx% 1.0 . 3.55 1102 1102 A 61 LEU HA A 56 VAL HGx% 1.0 . 5.09 1103 1103 A 56 VAL HGx% A 61 LEU HG 1.0 . 5.50 1104 1104 A 61 LEU H A 56 VAL HGx% 1.0 . 4.31 1105 1105 A 61 LEU HDx% A 56 VAL HGx% 1.0 . 5.15 1106 1106 A 61 LEU HDy% A 56 VAL HGx% 1.0 . 4.01 1107 1107 A 60 THR HG2% A 56 VAL HGy% 1.0 . 3.78 1108 1108 A 57 SER HA A 59 HIS H 1.0 . 4.80 1109 1109 A 57 SER HA A 60 THR H 1.0 . 4.72 1110 1110 A 61 LEU HG A 57 SER HA 1.0 . 5.50 1111 1111 A 57 SER HB2 A 59 HIS HD2 1.0 . 5.50 1112 1112 A 59 HIS H A 57 SER HB2 1.0 . 4.12 1113 1113 A 57 SER HB2 A 66 HIS HB2 1.0 . 4.36 1114 1114 A 66 HIS HB2 A 57 SER HB3 1.0 . 5.50 1115 1115 A 57 SER H A 57 SER HB2 1.0 . 3.12 1116 1116 A 60 THR HB A 57 SER H 1.0 . 3.02 1117 1117 A 60 THR HG2% A 57 SER H 1.0 . 4.16 1118 1118 A 60 THR HB A 58 VAL HA 1.0 . 5.50 1119 1119 A 58 VAL HA A 60 THR H 1.0 . 4.34 1120 1120 A 61 LEU HB2 A 58 VAL HA 1.0 . 4.83 1121 1121 A 61 LEU HB3 A 58 VAL HA 1.0 . 5.50 1122 1122 A 58 VAL HA A 61 LEU HG 1.0 . 4.05 1123 1123 A 61 LEU H A 58 VAL HA 1.0 . 4.10 1124 1124 A 61 LEU HDx% A 58 VAL HA 1.0 . 3.11 1125 1125 A 62 LEU H A 58 VAL HA 1.0 . 5.50 1126 1126 A 58 VAL H A 60 THR H 1.0 . 5.18 1127 1127 A 61 LEU HG A 58 VAL H 1.0 . 5.50 1128 1128 A 61 LEU H A 58 VAL H 1.0 . 5.50 1129 1129 A 61 LEU HDy% A 58 VAL H 1.0 . 5.48 1130 1130 A 59 HIS HA A 59 HIS HD2 1.0 . 5.37 1131 1131 A 59 HIS HA A 62 LEU HG 1.0 . 2.83 1132 1132 A 59 HIS HA A 62 LEU HDx% 1.0 . 5.50 1133 1133 A 59 HIS HA A 62 LEU HDy% 1.0 . 2.91 1134 1134 A 59 HIS HA A 63 ASP HB3 1.0 . 4.45 1135 1135 A 59 HIS HA A 63 ASP H 1.0 . 3.91 1136 1136 A 59 HIS HA A 66 HIS HA 1.0 . 5.49 1137 1137 A 62 LEU HG A 59 HIS HB2 1.0 . 5.31 1138 1138 A 62 LEU HDy% A 59 HIS HB2 1.0 . 5.03 1139 1139 A 63 ASP HB3 A 59 HIS HB2 1.0 . 5.02 1140 1140 A 66 HIS HA A 59 HIS HB2 1.0 . 5.18 1141 1141 A 59 HIS HB2 A 69 GLU HB2 1.0 . 5.50 1142 1142 A 60 THR H A 59 HIS HB3 1.0 . 3.85 1143 1143 A 62 LEU HG A 59 HIS HB3 1.0 . 4.52 1144 1144 A 62 LEU H A 59 HIS HB3 1.0 . 5.47 1145 1145 A 62 LEU HDx% A 59 HIS HB3 1.0 . 5.50 1146 1146 A 62 LEU HDy% A 59 HIS HB3 1.0 . 5.50 1147 1147 A 63 ASP HB3 A 59 HIS HB3 1.0 . 3.79 1148 1148 A 66 HIS HA A 59 HIS HB3 1.0 . 4.96 1149 1149 A 59 HIS HB3 A 66 HIS H 1.0 . 5.15 1150 1150 A 59 HIS HB3 A 67 GLU H 1.0 . 5.50 1151 1151 A 69 GLU HB2 A 59 HIS HB3 1.0 . 4.73 1152 1152 A 60 THR HA A 59 HIS HD2 1.0 . 4.10 1153 1153 A 60 THR HB A 59 HIS HD2 1.0 . 4.02 1154 1154 A 60 THR HG2% A 59 HIS HD2 1.0 . 4.95 1155 1155 A 59 HIS HD2 A 66 HIS HB2 1.0 . 4.12 1156 1156 A 59 HIS H A 59 HIS HD2 1.0 . 4.63 1157 1157 A 59 HIS H A 60 THR H 1.0 . 4.28 1158 1158 A 61 LEU HG A 59 HIS H 1.0 . 5.50 1159 1159 A 61 LEU H A 59 HIS H 1.0 . 4.46 1160 1160 A 59 HIS H A 62 LEU HG 1.0 . 5.50 1161 1161 A 63 ASP H A 59 HIS O 1.0 . 2.00 1162 1162 A 59 HIS O A 63 ASP N 1.0 . 3.00 1163 1163 A 60 THR HG2% A 60 THR HA 1.0 . 2.52 1164 1164 A 61 LEU HG A 60 THR HA 1.0 . 5.50 1165 1165 A 60 THR HA A 62 LEU HG 1.0 . 5.50 1166 1166 A 60 THR HA A 63 ASP HA 1.0 . 5.50 1167 1167 A 60 THR HA A 63 ASP HB2 1.0 . 4.87 1168 1168 A 60 THR HA A 63 ASP HB3 1.0 . 3.69 1169 1169 A 60 THR HA A 63 ASP H 1.0 . 3.97 1170 1170 A 60 THR HA A 64 GLU H 1.0 . 5.50 1171 1171 A 60 THR HA A 65 LYS H 1.0 . 5.50 1172 1172 A 60 THR HA A 66 HIS HB2 1.0 . 3.75 1173 1173 A 60 THR HB A 61 LEU HG 1.0 . 3.96 1174 1174 A 61 LEU H A 60 THR HB 1.0 . 3.29 1175 1175 A 61 LEU HDy% A 60 THR HB 1.0 . 5.50 1176 1176 A 60 THR HB A 66 HIS HB2 1.0 . 4.96 1177 1177 A 60 THR HA A 60 THR H 1.0 . 2.94 1178 1178 A 60 THR HB A 60 THR H 1.0 . 3.43 1179 1179 A 61 LEU H A 60 THR H 1.0 . 2.91 1180 1180 A 61 LEU HA A 60 THR HG2% 1.0 . 5.11 1181 1181 A 60 THR HG2% A 61 LEU H 1.0 . 3.94 1182 1182 A 61 LEU HA A 61 LEU HG 1.0 . 3.44 1183 1183 A 61 LEU HA A 61 LEU HDx% 1.0 . 5.23 1184 1184 A 61 LEU HDy% A 61 LEU HA 1.0 . 2.81 1185 1185 A 61 LEU HB2 A 61 LEU HDx% 1.0 . 2.93 1186 1186 A 61 LEU HB2 A 62 LEU HA 1.0 . 4.47 1187 1187 A 61 LEU HB2 A 62 LEU H 1.0 . 3.67 1188 1188 A 61 LEU HB2 A 63 ASP H 1.0 . 4.84 1189 1189 A 61 LEU HB3 A 61 LEU HDx% 1.0 . 3.31 1190 1190 A 61 LEU HDy% A 61 LEU HB3 1.0 . 3.49 1191 1191 A 62 LEU H A 61 LEU HB3 1.0 . 3.70 1192 1192 A 61 LEU HB2 A 61 LEU H 1.0 . 3.48 1193 1193 A 61 LEU H A 61 LEU HB3 1.0 . 3.78 1194 1194 A 61 LEU H A 61 LEU HG 1.0 . 4.61 1195 1195 A 61 LEU H A 61 LEU HDx% 1.0 . 3.80 1196 1196 A 61 LEU HDy% A 61 LEU H 1.0 . 3.97 1197 1197 A 62 LEU HB2 A 62 LEU HA 1.0 . 3.01 1198 1198 A 62 LEU HB2 A 62 LEU HDx% 1.0 . 3.41 1199 1199 A 62 LEU HB2 A 62 LEU HDy% 1.0 . 3.52 1200 1200 A 62 LEU HB3 A 62 LEU HDy% 1.0 . 3.59 1201 1201 A 62 LEU HG A 63 ASP HA 1.0 . 5.37 1202 1202 A 62 LEU HG A 63 ASP HB2 1.0 . 5.37 1203 1203 A 62 LEU HG A 63 ASP HB3 1.0 . 4.32 1204 1204 A 62 LEU HG A 63 ASP H 1.0 . 3.14 1205 1205 A 62 LEU H A 62 LEU HG 1.0 . 3.01 1206 1206 A 62 LEU H A 62 LEU HDy% 1.0 . 3.28 1207 1207 A 62 LEU H A 63 ASP HA 1.0 . 5.46 1208 1208 A 62 LEU H A 63 ASP HB3 1.0 . 5.31 1209 1209 A 62 LEU HDx% A 63 ASP HA 1.0 . 5.50 1210 1210 A 62 LEU HDx% A 64 GLU H 1.0 . 5.50 1211 1211 A 63 ASP HA A 63 ASP HB2 1.0 . 2.75 1212 1212 A 63 ASP HA A 64 GLU HG2 1.0 . 4.36 1213 1213 A 63 ASP HA A 64 GLU HG3 1.0 . 5.50 1214 1214 A 66 HIS H A 63 ASP HA 1.0 . 5.34 1215 1215 A 69 GLU HB2 A 63 ASP HA 1.0 . 5.50 1216 1216 A 63 ASP HA A 69 GLU HB3 1.0 . 5.50 1217 1217 A 63 ASP HA A 69 GLU HG3 1.0 . 5.50 1218 1218 A 63 ASP HB2 A 64 GLU HG2 1.0 . 4.51 1219 1219 A 63 ASP HB2 A 64 GLU H 1.0 . 4.29 1220 1220 A 63 ASP HB2 A 65 LYS HD3 1.0 . 4.79 1221 1221 A 63 ASP HB2 A 65 LYS HG2 1.0 . 5.20 1222 1222 A 63 ASP HB2 A 65 LYS HG3 1.0 . 5.50 1223 1223 A 63 ASP HB2 A 65 LYS H 1.0 . 4.95 1224 1224 A 66 HIS HA A 63 ASP HB2 1.0 . 4.76 1225 1225 A 69 GLU HB2 A 63 ASP HB2 1.0 . 4.60 1226 1226 A 63 ASP HB2 A 69 GLU HB3 1.0 . 4.19 1227 1227 A 63 ASP HB2 A 69 GLU HG3 1.0 . 4.07 1228 1228 A 63 ASP HB3 A 64 GLU H 1.0 . 4.27 1229 1229 A 63 ASP HB3 A 65 LYS HG2 1.0 . 4.47 1230 1230 A 63 ASP HB3 A 65 LYS H 1.0 . 4.66 1231 1231 A 63 ASP HB3 A 66 HIS HA 1.0 . 4.81 1232 1232 A 63 ASP HB3 A 66 HIS HB3 1.0 . 5.30 1233 1233 A 63 ASP HB3 A 69 GLU HB2 1.0 . 4.55 1234 1234 A 63 ASP HB3 A 69 GLU HG3 1.0 . 4.54 1235 1235 A 63 ASP H A 63 ASP HB2 1.0 . 3.75 1236 1236 A 63 ASP HB3 A 63 ASP H 1.0 . 3.22 1237 1237 A 63 ASP H A 64 GLU H 1.0 . 4.67 1238 1238 A 63 ASP H A 65 LYS H 1.0 . 5.50 1239 1239 A 64 GLU HA A 64 GLU HB3 1.0 . 2.95 1240 1240 A 64 GLU HG3 A 64 GLU HA 1.0 . 4.10 1241 1241 A 65 LYS HG2 A 64 GLU HA 1.0 . 5.50 1242 1242 A 64 GLU HG3 A 64 GLU HB2 1.0 . 2.74 1243 1243 A 64 GLU HB2 A 65 LYS HB3 1.0 . 5.50 1244 1244 A 64 GLU HG2 A 64 GLU HB3 1.0 . 2.83 1245 1245 A 64 GLU H A 64 GLU HB3 1.0 . 3.37 1246 1246 A 64 GLU H A 64 GLU HG2 1.0 . 3.41 1247 1247 A 69 GLU HG3 A 65 LYS HD3 1.0 . 3.65 1248 1248 A 65 LYS HD3 A 65 LYS HG3 1.0 . 2.80 1249 1249 A 65 LYS H A 65 LYS HG3 1.0 . 4.78 1250 1250 A 66 HIS HD2 A 67 GLU HB2 1.0 . 4.88 1251 1251 A 66 HIS HD2 A 67 GLU HB3 1.0 . 5.50 1252 1252 A 66 HIS HD2 A 67 GLU HG3 1.0 . 5.50 1253 1253 A 67 GLU HG3 A 67 GLU HA 1.0 . 3.79 1254 1254 A 67 GLU HA A 68 THR H 1.0 . 3.33 1255 1255 A 67 GLU HB2 A 67 GLU HG3 1.0 . 2.94 1256 1256 A 67 GLU HB2 A 68 THR H 1.0 . 5.10 1257 1257 A 67 GLU HB3 A 67 GLU HG3 1.0 . 3.00 1258 1258 A 67 GLU HB3 A 68 THR H 1.0 . 4.21 1259 1259 A 67 GLU H A 67 GLU HG3 1.0 . 5.23 1260 1260 A 68 THR HA A 69 GLU H 1.0 . 3.20 1261 1261 A 69 GLU HB2 A 69 GLU HG3 1.0 . 2.55 1262 1262 A 69 GLU HB3 A 69 GLU HG3 1.0 . 2.55 1263 1263 A 69 GLU HB2 A 69 GLU H 1.0 . 4.08 1264 1264 A 69 GLU HG3 A 69 GLU H 1.0 . 5.35 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 GLY C A 4 GLN N A 4 GLN CA A 4 GLN C 1.0 -73.1 -53.1 PHI 2 2 A 4 GLN C A 5 ARG N A 5 ARG CA A 5 ARG C 1.0 -70.6 -50.6 PHI 3 3 A 5 ARG N A 5 ARG CA A 5 ARG C A 6 ILE N 1.0 -52.3 -32.3 PSI 4 4 A 5 ARG C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -72.3 -52.3 PHI 5 5 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 LYS N 1.0 -57.0 -37.0 PSI 6 6 A 6 ILE C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -69.3 -49.3 PHI 7 7 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 GLN N 1.0 -52.5 -32.5 PSI 8 8 A 7 LYS C A 8 GLN N A 8 GLN CA A 8 GLN C 1.0 -73.2 -49.2 PHI 9 9 A 8 GLN N A 8 GLN CA A 8 GLN C A 9 TYR N 1.0 -53.9 -33.9 PSI 10 10 A 8 GLN C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -71.9 -51.9 PHI 11 11 A 9 TYR N A 9 TYR CA A 9 TYR C A 10 ARG N 1.0 -51.0 -31.0 PSI 12 12 A 9 TYR C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -74.5 -54.5 PHI 13 13 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 LYS N 1.0 -54.9 -34.9 PSI 14 14 A 10 ARG C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -73.1 -53.1 PHI 15 15 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 GLU N 1.0 -51.5 -31.5 PSI 16 16 A 11 LYS C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -72.7 -52.7 PHI 17 17 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 LYS N 1.0 -43.0 -17.3 PSI 18 18 A 12 GLU C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -98.5 -78.5 PHI 19 19 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLY N 1.0 -14.1 13.9 PSI 20 20 A 16 SER C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -68.1 -48.1 PHI 21 21 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 SER N 1.0 -57.6 -29.6 PSI 22 22 A 18 SER N A 18 SER CA A 18 SER C A 19 GLU N 1.0 -51.6 -31.6 PSI 23 23 A 18 SER C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -73.7 -53.7 PHI 24 24 A 19 GLU C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -73.9 -53.9 PHI 25 25 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 ALA N 1.0 -50.0 -30.0 PSI 26 26 A 20 LEU C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -69.7 -49.7 PHI 27 27 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 GLU N 1.0 -52.0 -32.0 PSI 28 28 A 21 ALA C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -75.0 -55.0 PHI 29 29 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 LYS N 1.0 -50.0 -30.0 PSI 30 30 A 22 GLU C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -74.0 -54.0 PHI 31 31 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 ALA N 1.0 -51.1 -26.7 PSI 32 32 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 GLY N 1.0 -15.4 10.2 PSI 33 33 A 27 ALA C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -64.0 -44.0 PHI 34 34 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 SER N 1.0 -59.1 -36.1 PSI 35 35 A 28 LYS C A 29 SER N A 29 SER CA A 29 SER C 1.0 -71.2 -51.2 PHI 36 36 A 29 SER N A 29 SER CA A 29 SER C A 30 TYR N 1.0 -52.0 -32.0 PSI 37 37 A 29 SER C A 30 TYR N A 30 TYR CA A 30 TYR C 1.0 -74.7 -54.7 PHI 38 38 A 30 TYR N A 30 TYR CA A 30 TYR C A 31 LEU N 1.0 -54.5 -34.5 PSI 39 39 A 30 TYR C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -71.0 -51.0 PHI 40 40 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 SER N 1.0 -57.2 -37.2 PSI 41 41 A 31 LEU C A 32 SER N A 32 SER CA A 32 SER C 1.0 -71.3 -51.3 PHI 42 42 A 32 SER N A 32 SER CA A 32 SER C A 33 SER N 1.0 -51.9 -31.9 PSI 43 43 A 32 SER C A 33 SER N A 33 SER CA A 33 SER C 1.0 -73.7 -53.7 PHI 44 44 A 33 SER N A 33 SER CA A 33 SER C A 34 ILE N 1.0 -50.1 -30.1 PSI 45 45 A 33 SER C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -82.0 -50.0 PHI 46 46 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 GLU N 1.0 -52.0 -32.0 PSI 47 47 A 34 ILE C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -75.9 -55.9 PHI 48 48 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 ARG N 1.0 -52.2 -17.8 PSI 49 49 A 35 GLU C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -102.5 -60.0 PHI 50 50 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 ASN N 1.0 -38.9 -0.2 PSI 51 51 A 42 PRO C A 43 SER N A 43 SER CA A 43 SER C 1.0 -127.7 -80.4 PHI 52 52 A 43 SER N A 43 SER CA A 43 SER C A 44 ILE N 1.0 113.2 156.6 PSI 53 53 A 43 SER C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -70.8 -50.8 PHI 54 54 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 GLN N 1.0 -44.8 -20.4 PSI 55 55 A 44 ILE C A 45 GLN N A 45 GLN CA A 45 GLN C 1.0 -75.4 -55.4 PHI 56 56 A 45 GLN N A 45 GLN CA A 45 GLN C A 46 PHE N 1.0 -49.7 -29.7 PSI 57 57 A 46 PHE N A 46 PHE CA A 46 PHE C A 47 LEU N 1.0 -52.3 -32.3 PSI 58 58 A 46 PHE C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -75.2 -55.2 PHI 59 59 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 GLU N 1.0 -48.5 -28.5 PSI 60 60 A 47 LEU C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -73.6 -53.6 PHI 61 61 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 LYS N 1.0 -54.1 -34.1 PSI 62 62 A 48 GLU C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -68.9 -48.9 PHI 63 63 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 VAL N 1.0 -55.2 -35.2 PSI 64 64 A 49 LYS C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -71.9 -51.9 PHI 65 65 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 SER N 1.0 -53.8 -33.8 PSI 66 66 A 50 VAL C A 51 SER N A 51 SER CA A 51 SER C 1.0 -70.6 -50.6 PHI 67 67 A 51 SER N A 51 SER CA A 51 SER C A 52 ALA N 1.0 -60.8 -28.8 PSI 68 68 A 51 SER C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -73.8 -53.8 PHI 69 69 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 VAL N 1.0 -57.5 -23.5 PSI 70 70 A 52 ALA C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -79.2 -59.2 PHI 71 71 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 LEU N 1.0 -47.1 -27.1 PSI 72 72 A 53 VAL C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -114.4 -85.3 PHI 73 73 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 ASP N 1.0 -29.3 17.3 PSI 74 74 A 58 VAL N A 58 VAL CA A 58 VAL C A 59 HIS N 1.0 -55.8 -35.8 PSI 75 75 A 58 VAL C A 59 HIS N A 59 HIS CA A 59 HIS C 1.0 -72.6 -52.6 PHI 76 76 A 59 HIS N A 59 HIS CA A 59 HIS C A 60 THR N 1.0 -50.2 -30.2 PSI 77 77 A 59 HIS C A 60 THR N A 60 THR CA A 60 THR C 1.0 -85.7 -47.7 PHI 78 78 A 60 THR N A 60 THR CA A 60 THR C A 61 LEU N 1.0 -51.5 -31.5 PSI 79 79 A 60 THR C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -77.2 -54.5 PHI 80 80 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 LEU N 1.0 -52.8 -23.0 PSI 81 81 A 61 LEU C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -91.0 -54.0 PHI stop_ save_