data_nef_c25380_2mx0 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 2MX0 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 SER start . . 2 A 2 HIS middle . . 3 A 3 MET middle . . 4 A 4 LYS middle . . 5 A 5 LEU middle . . 6 A 6 VAL middle . . 7 A 7 LEU middle . . 8 A 8 ALA middle . . 9 A 9 LYS middle . . 10 A 10 ASN middle . . 11 A 11 THR middle . . 12 A 12 ARG middle . . 13 A 13 LYS middle . . 14 A 14 SER middle . . 15 A 15 ASP middle . . 16 A 16 ALA middle . . 17 A 17 LYS middle . . 18 A 18 SER middle . . 19 A 19 VAL middle . . 20 A 20 GLU middle . . 21 A 21 LEU middle . . 22 A 22 GLU middle . . 23 A 23 ASP middle . . 24 A 24 LEU middle . . 25 A 25 TYR middle . . 26 A 26 HIS middle . . 27 A 27 GLU middle . . 28 A 28 PHE middle . . 29 A 29 SER middle . . 30 A 30 GLU middle . . 31 A 31 ASP middle . . 32 A 32 LYS middle . . 33 A 33 ARG middle . . 34 A 34 SER middle . . 35 A 35 ILE middle . . 36 A 36 PHE middle . . 37 A 37 TYR middle . . 38 A 38 PHE middle . . 39 A 39 ALA middle . . 40 A 40 PRO middle . false 41 A 41 THR middle . . 42 A 42 ASN middle . . 43 A 43 ALA middle . . 44 A 44 HIS middle . . 45 A 45 LYS middle . . 46 A 46 ASP middle . . 47 A 47 MET middle . . 48 A 48 LEU middle . . 49 A 49 LYS middle . . 50 A 50 ALA middle . . 51 A 51 VAL middle . . 52 A 52 ASP middle . . 53 A 53 PHE middle . . 54 A 54 PHE middle . . 55 A 55 LYS middle . . 56 A 56 GLU middle . . 57 A 57 LYS middle . . 58 A 58 GLY middle . false 59 A 59 HIS middle . . 60 A 60 THR middle . . 61 A 61 ALA middle . . 62 A 62 TYR middle . . 63 A 63 LEU middle . . 64 A 64 ASP middle . . 65 A 65 GLU middle . . 66 A 66 VAL middle . . 67 A 67 ARG middle . . 68 A 68 VAL middle . . 69 A 69 SER middle . . 70 A 70 THR middle . . 71 A 71 ASP middle . . 72 A 72 GLU middle . . 73 A 73 LYS middle . . 74 A 74 ASP middle . . 75 A 75 PHE middle . . 76 A 76 LEU middle . . 77 A 77 TYR middle . . 78 A 78 GLU middle . . 79 A 79 LEU middle . . 80 A 80 HIS middle . . 81 A 81 ILE middle . . 82 A 82 ILE 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 1 SER HA H 1 4.2070 . A 1 SER HB2 H 1 1.8560 . A 1 SER HB3 H 1 1.8560 . A 1 SER C C 13 174.4470 . A 1 SER CA C 13 58.5410 . A 1 SER CB C 13 63.8800 . A 1 SER N N 15 122.3770 . A 2 HIS H H 1 8.6780 . A 2 HIS HA H 1 4.7350 . A 2 HIS HB2 H 1 3.0040 . A 2 HIS HB3 H 1 3.0040 . A 2 HIS C C 13 173.8840 . A 2 HIS CA C 13 55.0520 . A 2 HIS CB C 13 28.6660 . A 2 HIS CG C 13 130.1800 . A 2 HIS N N 15 120.4300 . A 3 MET H H 1 8.2400 . A 3 MET HA H 1 4.2070 . A 3 MET HB2 H 1 1.8560 . A 3 MET HB3 H 1 1.8560 . A 3 MET C C 13 174.5840 . A 3 MET CA C 13 56.5500 . A 3 MET CB C 13 33.4260 . A 3 MET N N 15 122.3770 . A 4 LYS H H 1 8.3510 . A 4 LYS HA H 1 4.8390 . A 4 LYS HB2 H 1 1.6330 . A 4 LYS HB3 H 1 1.6330 . A 4 LYS HDx H 1 1.5430 . A 4 LYS HDy H 1 1.6000 . A 4 LYS HGx H 1 1.4600 . A 4 LYS HGy H 1 1.4690 . A 4 LYS C C 13 175.9060 . A 4 LYS CA C 13 54.8000 . A 4 LYS CB C 13 34.9000 . A 4 LYS CD C 13 28.4900 . A 4 LYS CG C 13 25.1200 . A 4 LYS N N 15 123.5680 . A 5 LEU H H 1 8.2810 . A 5 LEU HA H 1 4.8390 . A 5 LEU HB2 H 1 1.6330 . A 5 LEU HB3 H 1 1.6330 . A 5 LEU HDx% H 1 0.8760 . A 5 LEU HDy% H 1 0.5280 . A 5 LEU HG H 1 1.4900 . A 5 LEU C C 13 175.9000 . A 5 LEU CA C 13 53.3500 . A 5 LEU CB C 13 45.9000 . A 5 LEU CDy C 13 25.4300 . A 5 LEU CDx C 13 25.1700 . A 5 LEU CG C 13 26.8300 . A 5 LEU N N 15 123.5680 . A 6 VAL H H 1 9.2760 . A 6 VAL HA H 1 4.4260 . A 6 VAL HB H 1 1.9140 . A 6 VAL HGx% H 1 0.4690 . A 6 VAL HGy% H 1 0.6990 . A 6 VAL C C 13 178.2000 . A 6 VAL CA C 13 63.2000 . A 6 VAL CB C 13 33.2000 . A 6 VAL CGy C 13 21.8500 . A 6 VAL CGx C 13 21.5900 . A 6 VAL N N 15 121.5640 . A 7 LEU H H 1 9.2760 . A 7 LEU HA H 1 4.4260 . A 7 LEU HBx H 1 1.5150 . A 7 LEU HBy H 1 1.5230 . A 7 LEU HDx% H 1 0.7720 . A 7 LEU HG H 1 1.5210 . A 7 LEU CA C 13 63.2000 . A 7 LEU CB C 13 33.2000 . A 7 LEU CDx C 13 25.4500 . A 7 LEU CG C 13 27.0500 . A 7 LEU N N 15 121.5640 . A 8 ALA C C 13 177.0400 . A 8 ALA CA C 13 51.7010 . A 8 ALA CB C 13 20.8640 . A 9 LYS H H 1 8.5450 . A 9 LYS HA H 1 4.1280 . A 9 LYS HB2 H 1 1.7410 . A 9 LYS HB3 H 1 1.7410 . A 9 LYS HDx H 1 1.6140 . A 9 LYS HDy H 1 1.7030 . A 9 LYS HGy H 1 1.8660 . A 9 LYS HGx H 1 1.7500 . A 9 LYS C C 13 176.0750 . A 9 LYS CA C 13 56.7610 . A 9 LYS CB C 13 32.9190 . A 9 LYS CD C 13 28.8000 . A 9 LYS CG C 13 24.6000 . A 9 LYS N N 15 119.8450 . A 10 ASN H H 1 8.5920 . A 10 ASN HA H 1 4.6450 . A 10 ASN HB2 H 1 2.7680 . A 10 ASN HB3 H 1 2.7680 . A 10 ASN C C 13 175.4430 . A 10 ASN CA C 13 53.6570 . A 10 ASN CB C 13 38.7770 . A 10 ASN N N 15 119.2790 . A 11 THR H H 1 8.0580 . A 11 THR HA H 1 4.3110 . A 11 THR HB H 1 3.9350 . A 11 THR HG2% H 1 1.2100 . A 11 THR C C 13 174.6660 . A 11 THR CA C 13 62.0440 . A 11 THR CB C 13 69.8950 . A 11 THR CG2 C 13 21.7400 . A 11 THR N N 15 111.8760 . A 12 ARG H H 1 8.2910 . A 12 ARG HA H 1 4.2620 . A 12 ARG HB2 H 1 1.8060 . A 12 ARG HB3 H 1 1.8060 . A 12 ARG HGx H 1 1.5340 . A 12 ARG HGy H 1 1.6430 . A 12 ARG C C 13 176.7140 . A 12 ARG CA C 13 56.8220 . A 12 ARG CB C 13 30.7020 . A 12 ARG CG C 13 27.1800 . A 12 ARG N N 15 121.1520 . A 13 LYS H H 1 8.2860 . A 13 LYS HA H 1 3.8960 . A 13 LYS HBx H 1 1.1780 . A 13 LYS HBy H 1 1.9300 . A 13 LYS HDx H 1 1.7100 . A 13 LYS HDy H 1 1.7100 . A 13 LYS HGx H 1 1.4600 . A 13 LYS HGy H 1 1.4600 . A 13 LYS C C 13 176.6820 . A 13 LYS CA C 13 56.9780 . A 13 LYS CB C 13 32.4980 . A 13 LYS CD C 13 29.1700 . A 13 LYS CG C 13 24.9400 . A 13 LYS N N 15 120.4590 . A 14 SER H H 1 7.9570 . A 14 SER HA H 1 4.3710 . A 14 SER HB2 H 1 3.8750 . A 14 SER HB3 H 1 3.8750 . A 14 SER C C 13 173.9900 . A 14 SER CA C 13 58.6170 . A 14 SER CB C 13 63.9330 . A 14 SER N N 15 114.5680 . A 15 ASP H H 1 8.1660 . A 15 ASP HA H 1 4.6010 . A 15 ASP HB2 H 1 2.6210 . A 15 ASP HB3 H 1 2.6210 . A 15 ASP C C 13 175.6840 . A 15 ASP CA C 13 54.1490 . A 15 ASP CB C 13 41.2290 . A 15 ASP N N 15 121.5650 . A 16 ALA H H 1 8.1630 . A 16 ALA HA H 1 4.3710 . A 16 ALA HB% H 1 1.3630 . A 16 ALA C C 13 177.1840 . A 16 ALA CA C 13 52.3370 . A 16 ALA CB C 13 19.3590 . A 16 ALA N N 15 124.1730 . A 17 LYS H H 1 8.3630 . A 17 LYS HA H 1 4.4260 . A 17 LYS HB2 H 1 1.8010 . A 17 LYS HB3 H 1 1.8010 . A 17 LYS HDx H 1 1.6500 . A 17 LYS HGx H 1 1.6900 . A 17 LYS HGy H 1 1.6900 . A 17 LYS C C 13 175.4880 . A 17 LYS CA C 13 56.2050 . A 17 LYS CB C 13 34.2960 . A 17 LYS CD C 13 29.2130 . A 17 LYS CG C 13 29.2100 . A 17 LYS N N 15 121.1520 . A 18 SER H H 1 8.2060 . A 18 SER HA H 1 5.3550 . A 18 SER HB2 H 1 3.6720 . A 18 SER HB3 H 1 3.6720 . A 18 SER C C 13 173.8870 . A 18 SER CA C 13 57.2480 . A 18 SER CB C 13 64.9620 . A 18 SER N N 15 116.4480 . A 19 VAL H H 1 9.0860 . A 19 VAL HA H 1 3.6200 . A 19 VAL HB H 1 2.2960 . A 19 VAL HGy% H 1 0.7500 . A 19 VAL C C 13 174.1690 . A 19 VAL CA C 13 59.5460 . A 19 VAL CB C 13 35.9020 . A 19 VAL CGy C 13 21.9900 . A 19 VAL N N 15 117.8670 . A 20 GLU H H 1 8.8410 . A 20 GLU HA H 1 4.8680 . A 20 GLU HB2 H 1 1.8050 . A 20 GLU HB3 H 1 1.8050 . A 20 GLU HGx H 1 2.1180 . A 20 GLU HGy H 1 2.1180 . A 20 GLU C C 13 178.7470 . A 20 GLU CA C 13 54.5520 . A 20 GLU CB C 13 31.0990 . A 20 GLU CG C 13 35.8400 . A 20 GLU N N 15 120.8430 . A 21 LEU H H 1 8.7440 . A 21 LEU HA H 1 3.4430 . A 21 LEU HBy H 1 1.6200 . A 21 LEU HBx H 1 1.5500 . A 21 LEU HDx% H 1 0.5640 . A 21 LEU HDy% H 1 0.5100 . A 21 LEU HG H 1 1.3410 . A 21 LEU C C 13 178.7990 . A 21 LEU CA C 13 58.7070 . A 21 LEU CB C 13 38.5710 . A 21 LEU CDy C 13 24.8500 . A 21 LEU CDx C 13 23.3200 . A 21 LEU CG C 13 26.6820 . A 21 LEU N N 15 122.6530 . A 22 GLU H H 1 8.7440 . A 22 GLU HA H 1 3.9890 . A 22 GLU HBy H 1 2.0530 . A 22 GLU HBx H 1 2.0110 . A 22 GLU HGx H 1 2.1600 . A 22 GLU HGy H 1 2.1600 . A 22 GLU C C 13 179.3280 . A 22 GLU CA C 13 60.0800 . A 22 GLU CB C 13 28.8340 . A 22 GLU CG C 13 36.4500 . A 22 GLU N N 15 115.3920 . A 23 ASP H H 1 7.0980 . A 23 ASP HA H 1 4.6110 . A 23 ASP HB2 H 1 3.0250 . A 23 ASP HB3 H 1 3.0250 . A 23 ASP C C 13 179.1390 . A 23 ASP CA C 13 57.5190 . A 23 ASP CB C 13 40.4420 . A 23 ASP N N 15 118.5970 . A 24 LEU H H 1 7.5760 . A 24 LEU HA H 1 3.9340 . A 24 LEU HB2 H 1 2.0200 . A 24 LEU HB3 H 1 2.0200 . A 24 LEU HDx% H 1 0.8550 . A 24 LEU C C 13 179.0450 . A 24 LEU CA C 13 57.5490 . A 24 LEU CB C 13 41.5500 . A 24 LEU CDx C 13 24.6480 . A 24 LEU N N 15 119.8690 . A 25 TYR H H 1 8.3200 . A 25 TYR HA H 1 4.3670 . A 25 TYR HB2 H 1 3.2270 . A 25 TYR HB3 H 1 3.2270 . A 25 TYR HDy H 1 6.9800 . A 25 TYR HEy H 1 6.6100 . A 25 TYR C C 13 177.9450 . A 25 TYR CA C 13 62.6060 . A 25 TYR CB C 13 37.9480 . A 25 TYR CDy C 13 132.9600 . A 25 TYR CEy C 13 117.7700 . A 25 TYR CG C 13 130.8900 . A 25 TYR N N 15 118.1000 . A 26 HIS H H 1 8.3830 . A 26 HIS HA H 1 4.3710 . A 26 HIS HB2 H 1 3.5510 . A 26 HIS HB3 H 1 3.5510 . A 26 HIS HD2 H 1 7.0420 . A 26 HIS C C 13 176.5590 . A 26 HIS CA C 13 59.5190 . A 26 HIS CB C 13 28.1280 . A 26 HIS CD2 C 13 120.1200 . A 26 HIS CG C 13 132.1300 . A 26 HIS N N 15 119.4400 . A 27 GLU H H 1 8.2880 . A 27 GLU HA H 1 4.2580 . A 27 GLU HB2 H 1 2.5030 . A 27 GLU HB3 H 1 2.5030 . A 27 GLU HGx H 1 2.3100 . A 27 GLU HGy H 1 2.3100 . A 27 GLU C C 13 179.1630 . A 27 GLU CA C 13 60.0750 . A 27 GLU CB C 13 29.5350 . A 27 GLU CG C 13 35.9950 . A 27 GLU N N 15 119.9150 . A 28 PHE H H 1 8.5680 . A 28 PHE HA H 1 4.9720 . A 28 PHE HB2 H 1 3.1350 . A 28 PHE HB3 H 1 3.1350 . A 28 PHE HDy H 1 7.2600 . A 28 PHE HEy H 1 7.1900 . A 28 PHE C C 13 177.3860 . A 28 PHE CA C 13 60.4010 . A 28 PHE CB C 13 39.5680 . A 28 PHE CDy C 13 131.8490 . A 28 PHE CEy C 13 131.1220 . A 28 PHE N N 15 120.5000 . A 29 SER H H 1 8.4790 . A 29 SER HA H 1 4.2880 . A 29 SER HB2 H 1 3.5500 . A 29 SER HB3 H 1 3.5500 . A 29 SER C C 13 175.6560 . A 29 SER CA C 13 61.0580 . A 29 SER CB C 13 63.5550 . A 29 SER N N 15 114.3060 . A 30 GLU H H 1 8.4280 . A 30 GLU HA H 1 4.0920 . A 30 GLU HBy H 1 2.0800 . A 30 GLU HBx H 1 2.0680 . A 30 GLU C C 13 177.3120 . A 30 GLU CA C 13 57.5800 . A 30 GLU CB C 13 29.5770 . A 30 GLU N N 15 118.3220 . A 31 ASP H H 1 7.3030 . A 31 ASP HA H 1 4.8100 . A 31 ASP HB2 H 1 2.9500 . A 31 ASP HB3 H 1 2.9500 . A 31 ASP C C 13 175.7230 . A 31 ASP CA C 13 53.9740 . A 31 ASP CB C 13 40.8180 . A 31 ASP N N 15 115.6300 . A 32 LYS H H 1 7.1480 . A 32 LYS HA H 1 3.8270 . A 32 LYS HB2 H 1 1.9100 . A 32 LYS HB3 H 1 1.9100 . A 32 LYS HDx H 1 1.4300 . A 32 LYS HDy H 1 1.4300 . A 32 LYS C C 13 175.7160 . A 32 LYS CA C 13 56.1620 . A 32 LYS CB C 13 28.3810 . A 32 LYS CD C 13 29.2300 . A 32 LYS N N 15 114.3570 . A 33 ARG H H 1 7.3880 . A 33 ARG HA H 1 4.2010 . A 33 ARG HB2 H 1 1.4700 . A 33 ARG HB3 H 1 1.4700 . A 33 ARG HGx H 1 1.5100 . A 33 ARG HGy H 1 1.5100 . A 33 ARG C C 13 173.9820 . A 33 ARG CA C 13 56.1940 . A 33 ARG CB C 13 30.6420 . A 33 ARG CG C 13 26.8090 . A 33 ARG N N 15 120.9290 . A 34 SER H H 1 8.1730 . A 34 SER HA H 1 5.3550 . A 34 SER HB2 H 1 3.6720 . A 34 SER HB3 H 1 3.6720 . A 34 SER C C 13 172.7540 . A 34 SER CA C 13 58.2360 . A 34 SER CB C 13 65.2120 . A 34 SER N N 15 115.8670 . A 35 ILE H H 1 6.7790 . A 35 ILE HA H 1 4.8630 . A 35 ILE HB H 1 1.2620 . A 35 ILE HD1% H 1 0.8500 . A 35 ILE HG1y H 1 1.2800 . A 35 ILE HG2% H 1 0.7680 . A 35 ILE C C 13 174.0690 . A 35 ILE CA C 13 59.9560 . A 35 ILE CB C 13 40.6550 . A 35 ILE CD1 C 13 15.8700 . A 35 ILE CG1 C 13 25.8700 . A 35 ILE CG2 C 13 15.8200 . A 35 ILE N N 15 119.6210 . A 36 PHE H H 1 8.4110 . A 36 PHE HA H 1 4.4530 . A 36 PHE HB2 H 1 2.5150 . A 36 PHE HB3 H 1 2.5150 . A 36 PHE HDy H 1 7.2140 . A 36 PHE HEy H 1 7.0100 . A 36 PHE C C 13 173.2040 . A 36 PHE CA C 13 56.4160 . A 36 PHE CB C 13 44.8170 . A 36 PHE CDy C 13 132.1100 . A 36 PHE CEy C 13 131.0560 . A 36 PHE N N 15 124.3050 . A 37 TYR H H 1 8.3530 . A 37 TYR HA H 1 5.5700 . A 37 TYR HB2 H 1 2.7810 . A 37 TYR HB3 H 1 2.7810 . A 37 TYR HDy H 1 6.8670 . A 37 TYR C C 13 175.4550 . A 37 TYR CA C 13 56.5180 . A 37 TYR CB C 13 40.9910 . A 37 TYR CDy C 13 132.4400 . A 37 TYR CG C 13 129.6500 . A 37 TYR N N 15 118.7430 . A 38 PHE H H 1 9.7560 . A 38 PHE HA H 1 5.1600 . A 38 PHE HB2 H 1 3.0050 . A 38 PHE HB3 H 1 3.0050 . A 38 PHE HDx H 1 6.9600 . A 38 PHE HEx H 1 7.0100 . A 38 PHE C C 13 174.6500 . A 38 PHE CA C 13 56.8420 . A 38 PHE CB C 13 42.6190 . A 38 PHE CDx C 13 131.3700 . A 38 PHE CEx C 13 131.0800 . A 38 PHE CG C 13 140.1600 . A 38 PHE N N 15 119.2360 . A 39 ALA H H 1 7.7380 . A 39 ALA HA H 1 4.5400 . A 39 ALA C C 13 177.0420 . A 39 ALA CA C 13 50.8430 . A 39 ALA CB C 13 18.5780 . A 39 ALA N N 15 122.5160 . A 40 PRO C C 13 175.4110 . A 40 PRO CA C 13 64.2880 . A 40 PRO CB C 13 31.1040 . A 41 THR H H 1 6.7150 . A 41 THR HA H 1 4.1900 . A 41 THR HB H 1 4.2360 . A 41 THR C C 13 176.4000 . A 41 THR CA C 13 61.9370 . A 41 THR CB C 13 68.3310 . A 41 THR N N 15 105.8780 . A 42 ASN H H 1 7.1530 . A 42 ASN HA H 1 4.5350 . A 42 ASN HB2 H 1 2.6070 . A 42 ASN HB3 H 1 2.6070 . A 42 ASN C C 13 173.7640 . A 42 ASN CA C 13 54.1760 . A 42 ASN CB C 13 41.7150 . A 42 ASN CG C 13 176.7400 . A 42 ASN N N 15 118.8630 . A 43 ALA H H 1 9.4650 . A 43 ALA HA H 1 4.4250 . A 43 ALA HB% H 1 1.4680 . A 43 ALA C C 13 179.3080 . A 43 ALA CA C 13 51.9820 . A 43 ALA CB C 13 18.2940 . A 43 ALA N N 15 126.1740 . A 44 HIS H H 1 9.4070 . A 44 HIS HA H 1 3.8270 . A 44 HIS HBx H 1 3.5570 . A 44 HIS HBy H 1 3.5570 . A 44 HIS HD2 H 1 6.9400 . A 44 HIS C C 13 177.4070 . A 44 HIS CA C 13 61.0250 . A 44 HIS CB C 13 28.6300 . A 44 HIS CD2 C 13 119.8000 . A 44 HIS N N 15 126.2510 . A 45 LYS H H 1 8.9600 . A 45 LYS HA H 1 3.8830 . A 45 LYS HBy H 1 1.8510 . A 45 LYS HBx H 1 1.7700 . A 45 LYS HDx H 1 1.6800 . A 45 LYS HGx H 1 1.3530 . A 45 LYS HGy H 1 1.3530 . A 45 LYS C C 13 178.2840 . A 45 LYS CA C 13 59.2490 . A 45 LYS CB C 13 31.8340 . A 45 LYS CD C 13 29.0900 . A 45 LYS CG C 13 25.0900 . A 45 LYS N N 15 114.9900 . A 46 ASP H H 1 6.7770 . A 46 ASP HA H 1 4.4260 . A 46 ASP HB2 H 1 2.6760 . A 46 ASP HB3 H 1 2.6760 . A 46 ASP C C 13 177.7730 . A 46 ASP CA C 13 57.0160 . A 46 ASP CB C 13 39.8970 . A 46 ASP N N 15 120.4110 . A 47 MET H H 1 7.3670 . A 47 MET HA H 1 3.8790 . A 47 MET HB2 H 1 1.6960 . A 47 MET HB3 H 1 1.6960 . A 47 MET HGx H 1 2.4020 . A 47 MET HGy H 1 2.4020 . A 47 MET C C 13 179.4990 . A 47 MET CA C 13 56.0520 . A 47 MET CB C 13 29.6010 . A 47 MET N N 15 118.1780 . A 48 LEU H H 1 7.6720 . A 48 LEU HA H 1 3.8470 . A 48 LEU HB2 H 1 1.6870 . A 48 LEU HB3 H 1 1.6870 . A 48 LEU HDx% H 1 0.9370 . A 48 LEU HG H 1 1.8100 . A 48 LEU C C 13 179.8430 . A 48 LEU CA C 13 57.5800 . A 48 LEU CB C 13 40.9530 . A 48 LEU CDx C 13 24.9160 . A 48 LEU CG C 13 26.5690 . A 48 LEU N N 15 117.6650 . A 49 LYS H H 1 7.4200 . A 49 LYS HA H 1 4.1270 . A 49 LYS HB2 H 1 2.0790 . A 49 LYS HB3 H 1 2.0790 . A 49 LYS HGx H 1 1.3700 . A 49 LYS C C 13 179.6840 . A 49 LYS CA C 13 58.7990 . A 49 LYS CB C 13 31.4530 . A 49 LYS CG C 13 23.700 . A 49 LYS N N 15 119.3260 . A 50 ALA H H 1 7.5510 . A 50 ALA HA H 1 4.0430 . A 50 ALA HB% H 1 1.2040 . A 50 ALA C C 13 178.8180 . A 50 ALA CA C 13 55.1690 . A 50 ALA CB C 13 17.3000 . A 50 ALA N N 15 122.0220 . A 51 VAL H H 1 7.2260 . A 51 VAL HA H 1 3.4420 . A 51 VAL HB H 1 2.3980 . A 51 VAL HGx% H 1 1.0210 . A 51 VAL HGy% H 1 0.9740 . A 51 VAL C C 13 178.6460 . A 51 VAL CA C 13 67.2060 . A 51 VAL CB C 13 31.4530 . A 51 VAL CGy C 13 22.0100 . A 51 VAL CGx C 13 21.8000 . A 51 VAL N N 15 118.1650 . A 52 ASP H H 1 8.2320 . A 52 ASP HA H 1 4.3710 . A 52 ASP HB2 H 1 2.6760 . A 52 ASP HB3 H 1 2.6760 . A 52 ASP C C 13 177.8980 . A 52 ASP CA C 13 57.5710 . A 52 ASP CB C 13 40.3860 . A 52 ASP N N 15 122.2980 . A 53 PHE H H 1 8.2400 . A 53 PHE HA H 1 4.3210 . A 53 PHE HB2 H 1 1.2040 . A 53 PHE HB3 H 1 1.2040 . A 53 PHE HDy H 1 6.9980 . A 53 PHE C C 13 177.2240 . A 53 PHE CA C 13 61.0800 . A 53 PHE CB C 13 39.7000 . A 53 PHE CDy C 13 131.7900 . A 53 PHE N N 15 121.5410 . A 54 PHE H H 1 7.7550 . A 54 PHE HA H 1 3.6550 . A 54 PHE HB2 H 1 2.8210 . A 54 PHE HB3 H 1 2.8210 . A 54 PHE HDy H 1 7.1460 . A 54 PHE C C 13 178.2690 . A 54 PHE CA C 13 64.2000 . A 54 PHE CB C 13 38.5780 . A 54 PHE CDy C 13 131.8500 . A 54 PHE CG C 13 138.7400 . A 54 PHE N N 15 115.9250 . A 55 LYS H H 1 8.2130 . A 55 LYS HA H 1 4.4260 . A 55 LYS HB2 H 1 2.0650 . A 55 LYS HB3 H 1 2.0650 . A 55 LYS HDx H 1 1.6900 . A 55 LYS HDy H 1 1.6900 . A 55 LYS C C 13 181.4840 . A 55 LYS CA C 13 59.6290 . A 55 LYS CB C 13 31.7390 . A 55 LYS CD C 13 29.1490 . A 55 LYS N N 15 120.2510 . A 56 GLU H H 1 7.8500 . A 56 GLU HA H 1 3.9930 . A 56 GLU HB2 H 1 1.9920 . A 56 GLU HB3 H 1 1.9920 . A 56 GLU HGx H 1 2.2240 . A 56 GLU HGy H 1 2.2240 . A 56 GLU C C 13 178.0850 . A 56 GLU CA C 13 58.7880 . A 56 GLU CB C 13 28.5960 . A 56 GLU CG C 13 36.2180 . A 56 GLU N N 15 120.1460 . A 57 LYS H H 1 7.0190 . A 57 LYS HA H 1 4.1030 . A 57 LYS HB2 H 1 1.6310 . A 57 LYS HB3 H 1 1.6310 . A 57 LYS HDx H 1 1.6880 . A 57 LYS HDy H 1 1.6880 . A 57 LYS HGx H 1 1.4000 . A 57 LYS HGy H 1 1.4000 . A 57 LYS C C 13 176.2250 . A 57 LYS CA C 13 54.5720 . A 57 LYS CB C 13 32.0360 . A 57 LYS CD C 13 29.1200 . A 57 LYS CG C 13 24.8670 . A 57 LYS N N 15 115.9400 . A 58 GLY H H 1 7.8830 . A 58 GLY HA2 H 1 3.7000 . A 58 GLY HA3 H 1 4.0800 . A 58 GLY C C 13 174.3500 . A 58 GLY CA C 13 45.5000 . A 58 GLY N N 15 106.5930 . A 59 HIS H H 1 8.2180 . A 59 HIS HA H 1 4.8670 . A 59 HIS HB2 H 1 2.5670 . A 59 HIS HB3 H 1 2.5670 . A 59 HIS C C 13 173.2710 . A 59 HIS CA C 13 54.7780 . A 59 HIS CB C 13 31.6850 . A 59 HIS N N 15 117.9620 . A 60 THR H H 1 8.7800 . A 60 THR HA H 1 4.4300 . A 60 THR HB H 1 3.9900 . A 60 THR C C 13 171.4300 . A 60 THR CA C 13 63.4800 . A 60 THR CB C 13 69.7610 . A 60 THR N N 15 119.6240 . A 61 ALA H H 1 7.7950 . A 61 ALA HA H 1 5.2460 . A 61 ALA HB% H 1 1.0900 . A 61 ALA C C 13 174.7530 . A 61 ALA CA C 13 49.7720 . A 61 ALA CB C 13 22.8890 . A 61 ALA N N 15 126.7060 . A 62 TYR H H 1 8.7110 . A 62 TYR HB2 H 1 2.7850 . A 62 TYR HB3 H 1 2.7850 . A 62 TYR HDy H 1 7.0100 . A 62 TYR C C 13 173.4310 . A 62 TYR CA C 13 56.6470 . A 62 TYR CB C 13 40.5490 . A 62 TYR CDy C 13 132.9300 . A 62 TYR N N 15 117.8590 . A 63 LEU H H 1 8.7460 . A 63 LEU HA H 1 5.4110 . A 63 LEU HB2 H 1 1.8030 . A 63 LEU HB3 H 1 1.8030 . A 63 LEU HDx% H 1 0.9190 . A 63 LEU HG H 1 1.3300 . A 63 LEU C C 13 175.3190 . A 63 LEU CA C 13 53.2300 . A 63 LEU CB C 13 45.7010 . A 63 LEU CDx C 13 25.3200 . A 63 LEU CG C 13 26.8870 . A 63 LEU N N 15 125.0440 . A 64 ASP H H 1 9.2930 . A 64 ASP HA H 1 5.1990 . A 64 ASP HB2 H 1 2.7330 . A 64 ASP HB3 H 1 2.7330 . A 64 ASP C C 13 174.5120 . A 64 ASP CA C 13 52.7000 . A 64 ASP CB C 13 43.9540 . A 64 ASP N N 15 125.4630 . A 65 GLU H H 1 8.7150 . A 65 GLU HA H 1 5.0670 . A 65 GLU HB2 H 1 1.8360 . A 65 GLU HB3 H 1 1.8360 . A 65 GLU C C 13 175.6520 . A 65 GLU CA C 13 55.6430 . A 65 GLU CB C 13 30.4550 . A 65 GLU N N 15 120.7110 . A 66 VAL H H 1 9.1560 . A 66 VAL HA H 1 4.4300 . A 66 VAL HB H 1 2.0160 . A 66 VAL HGx% H 1 0.5010 . A 66 VAL HGy% H 1 0.5010 . A 66 VAL C C 13 175.0650 . A 66 VAL CA C 13 60.9910 . A 66 VAL CB C 13 34.2800 . A 66 VAL CGy C 13 21.5570 . A 66 VAL CGx C 13 21.2790 . A 66 VAL N N 15 122.9360 . A 67 ARG H H 1 8.7340 . A 67 ARG HA H 1 4.5410 . A 67 ARG HB2 H 1 1.8070 . A 67 ARG HB3 H 1 1.8070 . A 67 ARG HGx H 1 1.5680 . A 67 ARG HGy H 1 1.5680 . A 67 ARG C C 13 176.7080 . A 67 ARG CA C 13 56.0800 . A 67 ARG CB C 13 30.9080 . A 67 ARG CG C 13 27.4060 . A 67 ARG N N 15 126.1040 . A 68 VAL H H 1 8.3840 . A 68 VAL HA H 1 4.1520 . A 68 VAL HB H 1 1.8010 . A 68 VAL HGy% H 1 0.7430 . A 68 VAL C C 13 175.9310 . A 68 VAL CA C 13 62.7760 . A 68 VAL CB C 13 32.4890 . A 68 VAL CGy C 13 21.1500 . A 68 VAL N N 15 120.7070 . A 69 SER H H 1 8.0670 . A 69 SER HA H 1 4.6930 . A 69 SER HB2 H 1 3.8800 . A 69 SER HB3 H 1 3.8800 . A 69 SER C C 13 174.5440 . A 69 SER CA C 13 57.7540 . A 69 SER CB C 13 64.8310 . A 69 SER N N 15 116.1560 . A 70 THR H H 1 8.0950 . A 70 THR HA H 1 4.1520 . A 70 THR HB H 1 3.5510 . A 70 THR C C 13 174.8650 . A 70 THR CA C 13 63.8310 . A 70 THR CB C 13 68.9560 . A 70 THR N N 15 110.7530 . A 71 ASP H H 1 8.0760 . A 71 ASP HA H 1 4.5900 . A 71 ASP HB2 H 1 2.6760 . A 71 ASP HB3 H 1 2.6760 . A 71 ASP C C 13 176.7460 . A 71 ASP CA C 13 54.2640 . A 71 ASP CB C 13 41.4250 . A 71 ASP N N 15 121.8170 . A 72 GLU H H 1 8.5140 . A 72 GLU HA H 1 3.9930 . A 72 GLU HB2 H 1 2.0230 . A 72 GLU HB3 H 1 2.0230 . A 72 GLU HGx H 1 2.0700 . A 72 GLU HGy H 1 2.0700 . A 72 GLU C C 13 176.9710 . A 72 GLU CA C 13 58.2190 . A 72 GLU CB C 13 29.7020 . A 72 GLU CG C 13 36.0800 . A 72 GLU N N 15 123.6350 . A 73 LYS H H 1 8.4230 . A 73 LYS HA H 1 4.6430 . A 73 LYS HB2 H 1 1.8040 . A 73 LYS HB3 H 1 1.8040 . A 73 LYS HDx H 1 1.6480 . A 73 LYS HDy H 1 1.6480 . A 73 LYS C C 13 176.5080 . A 73 LYS CA C 13 57.0800 . A 73 LYS CB C 13 32.2030 . A 73 LYS CD C 13 29.1500 . A 73 LYS N N 15 117.8570 . A 74 ASP H H 1 7.9180 . A 74 ASP HA H 1 4.7580 . A 74 ASP HB2 H 1 2.8910 . A 74 ASP HB3 H 1 2.4620 . A 74 ASP C C 13 174.0590 . A 74 ASP CA C 13 53.2790 . A 74 ASP CB C 13 40.5780 . A 74 ASP N N 15 120.5800 . A 75 PHE H H 1 7.3970 . A 75 PHE HA H 1 5.3630 . A 75 PHE HB2 H 1 2.8450 . A 75 PHE HB3 H 1 2.8450 . A 75 PHE HDy H 1 6.9700 . A 75 PHE HEy H 1 7.2500 . A 75 PHE C C 13 173.0380 . A 75 PHE CA C 13 55.5220 . A 75 PHE CB C 13 41.7140 . A 75 PHE CDy C 13 132.1200 . A 75 PHE CEy C 13 131.0600 . A 75 PHE N N 15 118.5130 . A 76 LEU H H 1 8.7740 . A 76 LEU HA H 1 4.6430 . A 76 LEU HB2 H 1 1.6900 . A 76 LEU HB3 H 1 1.6900 . A 76 LEU HDx% H 1 0.7890 . A 76 LEU HG H 1 1.5130 . A 76 LEU C C 13 177.5530 . A 76 LEU CA C 13 53.6190 . A 76 LEU CB C 13 45.7010 . A 76 LEU CDx C 13 25.1800 . A 76 LEU CG C 13 26.8900 . A 76 LEU N N 15 116.7730 . A 77 TYR H H 1 8.5890 . A 77 TYR HA H 1 5.4150 . A 77 TYR HB2 H 1 3.1150 . A 77 TYR HB3 H 1 3.1150 . A 77 TYR HDx H 1 6.9260 . A 77 TYR HEx H 1 6.7200 . A 77 TYR C C 13 175.4790 . A 77 TYR CA C 13 58.3910 . A 77 TYR CB C 13 41.1000 . A 77 TYR CDx C 13 132.9900 . A 77 TYR CEx C 13 117.5800 . A 77 TYR N N 15 118.3770 . A 78 GLU H H 1 9.5760 . A 78 GLU HA H 1 4.9730 . A 78 GLU HB2 H 1 1.9060 . A 78 GLU HB3 H 1 1.9060 . A 78 GLU HGx H 1 1.9500 . A 78 GLU HGy H 1 1.9500 . A 78 GLU C C 13 174.1200 . A 78 GLU CA C 13 54.3780 . A 78 GLU CB C 13 32.6400 . A 78 GLU CG C 13 35.9400 . A 78 GLU N N 15 123.8750 . A 79 LEU H H 1 9.1390 . A 79 LEU HA H 1 5.2890 . A 79 LEU HB2 H 1 2.0110 . A 79 LEU HB3 H 1 2.0110 . A 79 LEU HDx% H 1 0.4500 . A 79 LEU HG H 1 1.0700 . A 79 LEU C C 13 174.2190 . A 79 LEU CA C 13 53.1490 . A 79 LEU CB C 13 46.6300 . A 79 LEU CDx C 13 25.3440 . A 79 LEU CG C 13 27.2500 . A 79 LEU N N 15 128.6610 . A 80 HIS H H 1 8.8970 . A 80 HIS HA H 1 5.4300 . A 80 HIS HB2 H 1 2.5200 . A 80 HIS HB3 H 1 2.9800 . A 80 HIS HD2 H 1 6.9880 . A 80 HIS C C 13 173.3460 . A 80 HIS CA C 13 53.1490 . A 80 HIS CB C 13 30.7680 . A 80 HIS CD2 C 13 119.7000 . A 80 HIS N N 15 124.8860 . A 81 ILE H H 1 8.9090 . A 81 ILE HA H 1 4.2900 . A 81 ILE HB H 1 1.2800 . A 81 ILE HD1% H 1 0.3020 . A 81 ILE HG1x H 1 1.0300 . A 81 ILE HG1y H 1 1.0300 . A 81 ILE HG2% H 1 0.4950 . A 81 ILE C C 13 174.6000 . A 81 ILE CA C 13 60.5000 . A 81 ILE CB C 13 39.7000 . A 81 ILE CD1 C 13 13.9800 . A 81 ILE CG1 C 13 28.0100 . A 81 ILE N N 15 125.1730 . A 82 ILE H H 1 8.4840 . A 82 ILE HA H 1 4.2070 . A 82 ILE HB H 1 1.9100 . A 82 ILE HG1x H 1 1.4200 . A 82 ILE HG1y H 1 1.4200 . A 82 ILE HG2% H 1 1.0700 . A 82 ILE C C 13 181.9000 . A 82 ILE CA C 13 63.0000 . A 82 ILE CB C 13 39.2000 . A 82 ILE CG1 C 13 28.1300 . A 82 ILE CG2 C 13 17.4000 . A 82 ILE N N 15 130.3920 . stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin 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 3 MET H A 4 LYS H 1.0 . 2.23 2 2 A 3 MET H A 4 LYS HA 1.0 . 4.37 3 3 A 4 LYS H A 5 LEU H 1.0 . 3.40 4 4 A 4 LYS HA A 5 LEU H 1.0 . 2.87 5 5 A 5 LEU H A 6 VAL H 1.0 . 4.63 6 6 A 5 LEU H A 6 VAL HA 1.0 . 4.98 7 7 A 5 LEU H A 35 ILE HA 1.0 . 5.31 8 8 A 5 LEU H A 35 ILE HB 1.0 . 4.71 9 9 A 5 LEU H A 36 PHE H 1.0 . 4.66 10 10 A 6 VAL H A 5 LEU HA 1.0 . 2.53 11 11 A 6 VAL HA A 5 LEU HA 1.0 . 4.69 12 12 A 5 LEU HA A 6 VAL HB 1.0 . 4.97 13 13 A 35 ILE HA A 5 LEU HA 1.0 . 4.26 14 14 A 5 LEU HA A 36 PHE HB2 1.0 . 4.97 15 14 A 5 LEU HA A 36 PHE HB3 1.0 . 4.97 16 15 A 5 LEU HA A 36 PHE HD% 1.0 . 4.88 17 16 A 5 LEU HA A 37 TYR H 1.0 . 5.13 18 17 A 6 VAL H A 5 LEU HB2 1.0 . 4.28 19 17 A 6 VAL H A 5 LEU HB3 1.0 . 4.28 20 18 A 7 LEU HG A 5 LEU HB2 1.0 . 5.69 21 18 A 5 LEU HB3 A 7 LEU HG 1.0 . 5.69 22 19 A 35 ILE HA A 5 LEU HB2 1.0 . 5.27 23 19 A 35 ILE HA A 5 LEU HB3 1.0 . 5.27 24 20 A 35 ILE HB A 5 LEU HB2 1.0 . 5.48 25 20 A 35 ILE HB A 5 LEU HB3 1.0 . 5.48 26 21 A 36 PHE H A 5 LEU HB2 1.0 . 3.58 27 21 A 36 PHE H A 5 LEU HB3 1.0 . 3.58 28 22 A 36 PHE HA A 5 LEU HB2 1.0 . 5.57 29 22 A 5 LEU HB3 A 36 PHE HA 1.0 . 5.57 30 23 A 5 LEU HB3 A 36 PHE HB2 1.0 . 4.77 31 23 A 5 LEU HB2 A 36 PHE HB2 1.0 . 4.77 32 23 A 36 PHE HB3 A 5 LEU HB2 1.0 . 4.77 33 23 A 36 PHE HB3 A 5 LEU HB3 1.0 . 4.77 34 24 A 6 VAL H A 5 LEU HG 1.0 . 4.95 35 25 A 6 VAL HA A 5 LEU HG 1.0 . 5.21 36 26 A 5 LEU HG A 6 VAL HGy% 1.0 . 5.80 37 27 A 5 LEU HG A 7 LEU H 1.0 . 5.58 38 28 A 7 LEU HG A 5 LEU HG 1.0 . 4.85 39 29 A 36 PHE H A 5 LEU HG 1.0 . 5.62 40 30 A 6 VAL H A 5 LEU HDx% 1.0 . 4.82 41 30 A 6 VAL H A 5 LEU HDy% 1.0 . 4.82 42 31 A 6 VAL HA A 5 LEU HDx% 1.0 . 5.35 43 31 A 6 VAL HA A 5 LEU HDy% 1.0 . 5.35 44 32 A 7 LEU H A 5 LEU HDx% 1.0 . 4.69 45 32 A 7 LEU H A 5 LEU HDy% 1.0 . 4.69 46 33 A 7 LEU HA A 5 LEU HDx% 1.0 . 4.96 47 33 A 5 LEU HDy% A 7 LEU HA 1.0 . 4.96 48 34 A 5 LEU HDx% A 7 LEU HBx 1.0 . 5.29 49 34 A 5 LEU HDy% A 7 LEU HBx 1.0 . 5.29 50 34 A 7 LEU HBy A 5 LEU HDx% 1.0 . 5.29 51 34 A 5 LEU HDy% A 7 LEU HBy 1.0 . 5.29 52 35 A 7 LEU HG A 5 LEU HDx% 1.0 . 2.72 53 35 A 7 LEU HG A 5 LEU HDy% 1.0 . 2.72 54 36 A 7 LEU HDx% A 5 LEU HDx% 1.0 . 3.48 55 36 A 5 LEU HDy% A 7 LEU HDx% 1.0 . 3.48 56 37 A 38 PHE HB3 A 5 LEU HDx% 1.0 . 4.60 57 37 A 5 LEU HDy% A 38 PHE HB3 1.0 . 4.60 58 38 A 38 PHE HD% A 5 LEU HDx% 1.0 . 5.19 59 38 A 5 LEU HDy% A 38 PHE HD% 1.0 . 5.19 60 39 A 7 LEU HG A 5 LEU HDx% 1.0 . 5.30 61 39 A 7 LEU HG A 5 LEU HDy% 1.0 . 5.30 62 40 A 7 LEU HDx% A 5 LEU HDx% 1.0 . 4.79 63 40 A 5 LEU HDy% A 7 LEU HDx% 1.0 . 4.79 64 41 A 7 LEU HD21 A 5 LEU HDx% 1.0 . 5.25 65 41 A 5 LEU HDy% A 7 LEU HD21 1.0 . 5.25 66 42 A 6 VAL H A 7 LEU H 1.0 . 4.44 67 43 A 6 VAL H A 7 LEU HA 1.0 . 5.11 68 44 A 6 VAL H A 7 LEU HG 1.0 . 4.95 69 45 A 6 VAL H A 20 GLU HB2 1.0 . 5.73 70 45 A 6 VAL H A 20 GLU HB3 1.0 . 5.73 71 46 A 6 VAL H A 35 ILE HB 1.0 . 4.55 72 47 A 6 VAL H A 35 ILE HD1% 1.0 . 4.65 73 48 A 6 VAL H A 36 PHE H 1.0 . 4.18 74 49 A 6 VAL H A 36 PHE HA 1.0 . 5.18 75 50 A 6 VAL H A 36 PHE HB2 1.0 . 5.57 76 50 A 6 VAL H A 36 PHE HB3 1.0 . 5.57 77 51 A 6 VAL H A 37 TYR H 1.0 . 4.63 78 52 A 6 VAL H A 37 TYR HA 1.0 . 2.60 79 53 A 6 VAL H A 37 TYR HB2 1.0 . 5.53 80 53 A 6 VAL H A 37 TYR HB3 1.0 . 5.53 81 54 A 6 VAL H A 37 TYR HD% 1.0 . 5.07 82 55 A 6 VAL H A 38 PHE H 1.0 . 3.40 83 56 A 6 VAL H A 38 PHE HB2 1.0 . 5.03 84 56 A 6 VAL H A 38 PHE HB3 1.0 . 5.03 85 57 A 6 VAL HA A 7 LEU H 1.0 . 2.46 86 58 A 6 VAL HA A 7 LEU HA 1.0 . 4.72 87 59 A 6 VAL HA A 7 LEU HG 1.0 . 4.39 88 60 A 6 VAL HA A 7 LEU HDx% 1.0 . 5.74 89 61 A 6 VAL HA A 16 ALA HB% 1.0 . 4.94 90 62 A 6 VAL HA A 19 VAL HB 1.0 . 4.05 91 63 A 6 VAL HA A 19 VAL HG11 1.0 . 4.18 92 64 A 6 VAL HA A 20 GLU H 1.0 . 5.19 93 65 A 6 VAL HA A 37 TYR HD% 1.0 . 5.79 94 66 A 6 VAL HA A 38 PHE H 1.0 . 4.94 95 67 A 6 VAL HB A 7 LEU H 1.0 . 4.65 96 68 A 6 VAL HB A 7 LEU HA 1.0 . 5.27 97 69 A 6 VAL HB A 19 VAL HB 1.0 . 5.70 98 70 A 6 VAL HB A 20 GLU H 1.0 . 5.25 99 71 A 6 VAL HB A 20 GLU HA 1.0 . 5.06 100 72 A 6 VAL HB A 37 TYR HA 1.0 . 2.66 101 73 A 6 VAL HB A 37 TYR HB2 1.0 . 4.76 102 73 A 6 VAL HB A 37 TYR HB3 1.0 . 4.76 103 74 A 6 VAL HB A 37 TYR HD% 1.0 . 2.88 104 75 A 6 VAL HB A 37 TYR HD% 1.0 . 4.84 105 76 A 6 VAL HB A 38 PHE H 1.0 . 3.86 106 77 A 7 LEU H A 6 VAL HGx% 1.0 . 3.54 107 78 A 7 LEU HA A 6 VAL HGx% 1.0 . 4.58 108 79 A 7 LEU HG A 6 VAL HGx% 1.0 . 5.77 109 80 A 7 LEU HDx% A 6 VAL HGx% 1.0 . 5.44 110 81 A 6 VAL HGx% A 8 ALA H 1.0 . 5.14 111 82 A 6 VAL HGx% A 8 ALA HA 1.0 . 4.54 112 83 A 16 ALA HB% A 6 VAL HGx% 1.0 . 5.62 113 84 A 6 VAL HGx% A 20 GLU HB2 1.0 . 3.86 114 84 A 20 GLU HB3 A 6 VAL HGx% 1.0 . 3.86 115 85 A 6 VAL HGx% A 20 GLU HGx 1.0 . 5.24 116 85 A 6 VAL HGx% A 20 GLU HGy 1.0 . 5.24 117 86 A 37 TYR HA A 6 VAL HGx% 1.0 . 4.82 118 87 A 37 TYR HD% A 6 VAL HGx% 1.0 . 4.64 119 88 A 38 PHE H A 6 VAL HGx% 1.0 . 4.95 120 89 A 6 VAL HGy% A 7 LEU H 1.0 . 5.00 121 90 A 6 VAL HGy% A 19 VAL HB 1.0 . 4.90 122 91 A 6 VAL HGy% A 19 VAL HG11 1.0 . 4.26 123 92 A 6 VAL HGy% A 20 GLU H 1.0 . 4.98 124 93 A 6 VAL HGy% A 20 GLU HA 1.0 . 3.72 125 94 A 35 ILE HB A 6 VAL HGy% 1.0 . 4.14 126 95 A 6 VAL HGy% A 35 ILE HG2% 1.0 . 4.98 127 96 A 36 PHE H A 6 VAL HGy% 1.0 . 5.41 128 97 A 6 VAL HGy% A 37 TYR HA 1.0 . 4.53 129 98 A 6 VAL HGy% A 37 TYR HD% 1.0 . 4.78 130 99 A 6 VAL HGy% A 38 PHE H 1.0 . 5.79 131 100 A 7 LEU H A 8 ALA H 1.0 . 4.84 132 101 A 7 LEU H A 8 ALA HA 1.0 . 5.69 133 102 A 7 LEU H A 16 ALA HA 1.0 . 5.20 134 103 A 7 LEU H A 16 ALA HB% 1.0 . 4.68 135 104 A 7 LEU H A 19 VAL HB 1.0 . 4.91 136 105 A 7 LEU H A 19 VAL HG11 1.0 . 5.58 137 106 A 7 LEU H A 19 VAL HGy% 1.0 . 5.33 138 107 A 7 LEU H A 37 TYR HA 1.0 . 5.60 139 108 A 7 LEU H A 38 PHE H 1.0 . 4.85 140 109 A 7 LEU H A 38 PHE HB2 1.0 . 4.82 141 109 A 7 LEU H A 38 PHE HB3 1.0 . 4.82 142 110 A 7 LEU H A 38 PHE HD% 1.0 . 5.55 143 111 A 7 LEU HA A 8 ALA H 1.0 . 2.47 144 112 A 7 LEU HA A 8 ALA HA 1.0 . 4.65 145 113 A 7 LEU HA A 8 ALA HB1 1.0 . 4.99 146 114 A 7 LEU HA A 16 ALA HB% 1.0 . 5.16 147 115 A 7 LEU HA A 37 TYR HA 1.0 . 5.22 148 116 A 7 LEU HA A 38 PHE H 1.0 . 3.47 149 117 A 7 LEU HA A 38 PHE HA 1.0 . 5.07 150 118 A 7 LEU HA A 38 PHE HB2 1.0 . 2.44 151 118 A 7 LEU HA A 38 PHE HB3 1.0 . 2.44 152 119 A 7 LEU HA A 39 ALA HA 1.0 . 5.35 153 120 A 8 ALA H A 7 LEU HBx 1.0 . 3.47 154 120 A 7 LEU HBy A 8 ALA H 1.0 . 3.47 155 121 A 8 ALA HA A 7 LEU HBx 1.0 . 5.48 156 121 A 7 LEU HBy A 8 ALA HA 1.0 . 5.48 157 122 A 8 ALA HB1 A 7 LEU HBx 1.0 . 5.31 158 122 A 7 LEU HBy A 8 ALA HB1 1.0 . 5.31 159 123 A 16 ALA HB% A 7 LEU HBx 1.0 . 4.40 160 123 A 7 LEU HBy A 16 ALA HB% 1.0 . 4.40 161 124 A 38 PHE H A 7 LEU HBx 1.0 . 5.71 162 124 A 7 LEU HBy A 38 PHE H 1.0 . 5.71 163 125 A 7 LEU HBx A 38 PHE HB2 1.0 . 4.03 164 125 A 7 LEU HBy A 38 PHE HB2 1.0 . 4.03 165 125 A 38 PHE HB3 A 7 LEU HBx 1.0 . 4.03 166 125 A 7 LEU HBy A 38 PHE HB3 1.0 . 4.03 167 126 A 38 PHE HD% A 7 LEU HBx 1.0 . 2.94 168 126 A 7 LEU HBy A 38 PHE HD% 1.0 . 2.94 169 127 A 7 LEU HG A 8 ALA H 1.0 . 5.07 170 128 A 7 LEU HG A 16 ALA HB% 1.0 . 4.70 171 129 A 7 LEU HG A 38 PHE H 1.0 . 4.79 172 130 A 7 LEU HG A 38 PHE HB2 1.0 . 3.73 173 130 A 7 LEU HG A 38 PHE HB3 1.0 . 3.73 174 131 A 7 LEU HG A 38 PHE HD% 1.0 . 3.94 175 132 A 7 LEU HDx% A 14 SER HG 1.0 . 5.21 176 133 A 7 LEU HDx% A 16 ALA HA 1.0 . 5.14 177 134 A 7 LEU HDx% A 16 ALA HB% 1.0 . 5.01 178 135 A 7 LEU HD21 A 8 ALA H 1.0 . 5.70 179 136 A 7 LEU HD21 A 38 PHE HB2 1.0 . 4.07 180 136 A 7 LEU HD21 A 38 PHE HB3 1.0 . 4.07 181 137 A 8 ALA H A 9 LYS H 1.0 . 4.93 182 138 A 8 ALA H A 9 LYS HA 1.0 . 5.78 183 139 A 8 ALA H A 10 ASN H 1.0 . 5.62 184 140 A 38 PHE H A 8 ALA H 1.0 . 4.60 185 141 A 8 ALA HA A 10 ASN HB2 1.0 . 5.71 186 141 A 8 ALA HA A 10 ASN HB3 1.0 . 5.71 187 142 A 8 ALA HA A 39 ALA HA 1.0 . 4.62 188 143 A 8 ALA HA A 39 ALA HB1 1.0 . 5.21 189 144 A 8 ALA HA A 40 PRO HDx 1.0 . 4.97 190 144 A 8 ALA HA A 40 PRO HDy 1.0 . 4.97 191 145 A 8 ALA HA A 46 ASP HA 1.0 . 5.42 192 146 A 8 ALA HA A 46 ASP HB2 1.0 . 3.71 193 146 A 8 ALA HA A 46 ASP HB3 1.0 . 3.71 194 147 A 9 LYS H A 10 ASN H 1.0 . 2.43 195 148 A 9 LYS H A 10 ASN HA 1.0 . 4.86 196 149 A 9 LYS H A 10 ASN HB2 1.0 . 4.46 197 149 A 9 LYS H A 10 ASN HB3 1.0 . 4.46 198 150 A 9 LYS H A 11 THR H 1.0 . 4.49 199 151 A 10 ASN H A 11 THR H 1.0 . 2.73 200 152 A 10 ASN H A 11 THR HA 1.0 . 5.41 201 153 A 10 ASN H A 12 ARG H 1.0 . 4.63 202 154 A 10 ASN H A 46 ASP HB2 1.0 . 5.43 203 154 A 10 ASN H A 46 ASP HB3 1.0 . 5.43 204 155 A 10 ASN HA A 11 THR H 1.0 . 3.77 205 156 A 10 ASN HA A 11 THR HA 1.0 . 4.92 206 157 A 10 ASN HA A 13 LYS HGx 1.0 . 4.89 207 157 A 10 ASN HA A 13 LYS HGy 1.0 . 4.89 208 158 A 10 ASN HA A 40 PRO HGx 1.0 . 5.56 209 158 A 10 ASN HA A 40 PRO HGy 1.0 . 5.56 210 159 A 10 ASN HB2 A 45 LYS HBy 1.0 . 3.88 211 159 A 10 ASN HB3 A 45 LYS HBy 1.0 . 3.88 212 159 A 45 LYS HBx A 10 ASN HB2 1.0 . 3.88 213 159 A 10 ASN HB3 A 45 LYS HBx 1.0 . 3.88 214 160 A 46 ASP H A 10 ASN HB2 1.0 . 3.81 215 160 A 10 ASN HB3 A 46 ASP H 1.0 . 3.81 216 161 A 46 ASP HA A 10 ASN HB2 1.0 . 5.64 217 161 A 10 ASN HB3 A 46 ASP HA 1.0 . 5.64 218 162 A 10 ASN HB3 A 46 ASP HB2 1.0 . 5.56 219 162 A 10 ASN HB2 A 46 ASP HB2 1.0 . 5.56 220 162 A 46 ASP HB3 A 10 ASN HB2 1.0 . 5.56 221 162 A 10 ASN HB3 A 46 ASP HB3 1.0 . 5.56 222 163 A 11 THR H A 12 ARG H 1.0 . 2.76 223 164 A 11 THR H A 12 ARG HA 1.0 . 5.33 224 165 A 11 THR H A 12 ARG HB2 1.0 . 5.68 225 165 A 11 THR H A 12 ARG HB3 1.0 . 5.68 226 166 A 11 THR HA A 13 LYS H 1.0 . 5.43 227 167 A 11 THR HA A 40 PRO HBx 1.0 . 5.31 228 167 A 11 THR HA A 40 PRO HBy 1.0 . 5.31 229 168 A 11 THR HA A 40 PRO HGx 1.0 . 5.77 230 168 A 11 THR HA A 40 PRO HGy 1.0 . 5.77 231 169 A 12 ARG H A 11 THR HB 1.0 . 3.04 232 170 A 12 ARG HA A 11 THR HB 1.0 . 4.23 233 171 A 12 ARG H A 11 THR HG2% 1.0 . 5.13 234 172 A 11 THR HG2% A 40 PRO HA 1.0 . 5.49 235 173 A 11 THR HG2% A 40 PRO HBx 1.0 . 4.39 236 173 A 40 PRO HBy A 11 THR HG2% 1.0 . 4.39 237 174 A 12 ARG H A 13 LYS H 1.0 . 2.76 238 175 A 12 ARG HA A 13 LYS H 1.0 . 3.86 239 176 A 12 ARG HA A 13 LYS HA 1.0 . 5.65 240 177 A 14 SER HA A 12 ARG HB2 1.0 . 4.91 241 177 A 12 ARG HB3 A 14 SER HA 1.0 . 4.91 242 178 A 16 ALA H A 12 ARG HB2 1.0 . 5.35 243 178 A 12 ARG HB3 A 16 ALA H 1.0 . 5.35 244 179 A 13 LYS H A 14 SER H 1.0 . 2.90 245 180 A 13 LYS H A 16 ALA H 1.0 . 4.96 246 181 A 16 ALA HB% A 13 LYS H 1.0 . 5.10 247 182 A 13 LYS HA A 14 SER H 1.0 . 3.20 248 183 A 14 SER H A 15 ASP H 1.0 . 2.93 249 184 A 14 SER H A 15 ASP HA 1.0 . 5.18 250 185 A 14 SER H A 17 LYS H 1.0 . 5.75 251 186 A 14 SER HA A 15 ASP H 1.0 . 3.42 252 187 A 14 SER HA A 15 ASP HA 1.0 . 5.21 253 188 A 16 ALA H A 15 ASP H 1.0 . 2.64 254 189 A 16 ALA HA A 15 ASP H 1.0 . 5.26 255 190 A 16 ALA H A 15 ASP HA 1.0 . 3.17 256 191 A 16 ALA HA A 15 ASP HA 1.0 . 4.92 257 192 A 16 ALA H A 17 LYS H 1.0 . 2.64 258 193 A 16 ALA H A 17 LYS HA 1.0 . 5.21 259 194 A 19 VAL HB A 16 ALA HA 1.0 . 4.84 260 195 A 17 LYS H A 18 SER H 1.0 . 4.90 261 196 A 17 LYS H A 19 VAL H 1.0 . 5.16 262 197 A 17 LYS HA A 18 SER HA 1.0 . 4.86 263 198 A 18 SER H A 19 VAL H 1.0 . 2.88 264 199 A 19 VAL H A 18 SER HA 1.0 . 3.45 265 200 A 18 SER HA A 20 GLU HGx 1.0 . 4.07 266 200 A 20 GLU HGy A 18 SER HA 1.0 . 4.07 267 201 A 18 SER HA A 22 GLU H 1.0 . 5.31 268 202 A 19 VAL H A 18 SER HB2 1.0 . 4.26 269 202 A 19 VAL H A 18 SER HB3 1.0 . 4.26 270 203 A 18 SER HB3 A 22 GLU HGx 1.0 . 5.66 271 203 A 18 SER HB2 A 22 GLU HGx 1.0 . 5.66 272 203 A 22 GLU HGy A 18 SER HB2 1.0 . 5.66 273 203 A 18 SER HB3 A 22 GLU HGy 1.0 . 5.66 274 204 A 19 VAL H A 20 GLU HB2 1.0 . 4.94 275 204 A 20 GLU HB3 A 19 VAL H 1.0 . 4.94 276 205 A 19 VAL H A 20 GLU HGx 1.0 . 3.83 277 205 A 20 GLU HGy A 19 VAL H 1.0 . 3.83 278 206 A 19 VAL H A 21 LEU H 1.0 . 4.28 279 207 A 19 VAL H A 22 GLU H 1.0 . 5.17 280 208 A 20 GLU H A 19 VAL HA 1.0 . 3.83 281 209 A 20 GLU HA A 19 VAL HA 1.0 . 5.14 282 210 A 19 VAL HB A 22 GLU H 1.0 . 5.73 283 211 A 19 VAL HB A 23 ASP H 1.0 . 5.54 284 212 A 19 VAL HG11 A 20 GLU H 1.0 . 4.17 285 213 A 19 VAL HG11 A 20 GLU HA 1.0 . 4.13 286 214 A 19 VAL HG11 A 20 GLU HB2 1.0 . 5.38 287 214 A 20 GLU HB3 A 19 VAL HG11 1.0 . 5.38 288 215 A 20 GLU H A 21 LEU H 1.0 . 3.07 289 216 A 20 GLU H A 21 LEU HA 1.0 . 5.66 290 217 A 20 GLU H A 22 GLU H 1.0 . 4.44 291 218 A 37 TYR HD% A 20 GLU H 1.0 . 5.79 292 219 A 20 GLU HA A 21 LEU H 1.0 . 3.84 293 220 A 20 GLU HA A 21 LEU HA 1.0 . 5.11 294 221 A 20 GLU HA A 23 ASP HB2 1.0 . 4.35 295 221 A 20 GLU HA A 23 ASP HB3 1.0 . 4.35 296 222 A 20 GLU HA A 24 LEU H 1.0 . 4.04 297 223 A 20 GLU HA A 24 LEU HA 1.0 . 5.50 298 224 A 24 LEU HDx% A 20 GLU HB2 1.0 . 4.51 299 224 A 20 GLU HB3 A 24 LEU HDx% 1.0 . 4.51 300 225 A 24 LEU HDx% A 20 GLU HB2 1.0 . 5.23 301 225 A 20 GLU HB3 A 24 LEU HDx% 1.0 . 5.23 302 226 A 22 GLU H A 21 LEU H 1.0 . 2.98 303 227 A 21 LEU H A 22 GLU HA 1.0 . 5.60 304 228 A 21 LEU H A 23 ASP H 1.0 . 4.67 305 229 A 22 GLU H A 21 LEU HA 1.0 . 3.81 306 230 A 21 LEU HA A 22 GLU HA 1.0 . 4.99 307 231 A 23 ASP H A 21 LEU HA 1.0 . 5.25 308 232 A 21 LEU HA A 25 TYR H 1.0 . 5.17 309 233 A 21 LEU HA A 59 HIS HD1 1.0 . 4.47 310 234 A 22 GLU H A 21 LEU HBy 1.0 . 3.18 311 234 A 22 GLU H A 21 LEU HBx 1.0 . 3.18 312 235 A 22 GLU HA A 21 LEU HBy 1.0 . 4.27 313 235 A 22 GLU HA A 21 LEU HBx 1.0 . 4.27 314 236 A 21 LEU HBx A 22 GLU HGx 1.0 . 5.39 315 236 A 21 LEU HBy A 22 GLU HGx 1.0 . 5.39 316 236 A 22 GLU HGy A 21 LEU HBy 1.0 . 5.39 317 236 A 22 GLU HGy A 21 LEU HBx 1.0 . 5.39 318 237 A 23 ASP H A 21 LEU HBy 1.0 . 5.61 319 237 A 23 ASP H A 21 LEU HBx 1.0 . 5.61 320 238 A 24 LEU H A 21 LEU HBy 1.0 . 5.79 321 238 A 24 LEU H A 21 LEU HBx 1.0 . 5.79 322 239 A 21 LEU HBy A 57 LYS HDx 1.0 . 5.31 323 239 A 21 LEU HBx A 57 LYS HDx 1.0 . 5.31 324 239 A 57 LYS HDy A 21 LEU HBy 1.0 . 5.31 325 239 A 21 LEU HBx A 57 LYS HDy 1.0 . 5.31 326 240 A 22 GLU H A 21 LEU HG 1.0 . 5.31 327 241 A 21 LEU HG A 24 LEU HB2 1.0 . 5.70 328 241 A 21 LEU HG A 24 LEU HB3 1.0 . 5.70 329 242 A 21 LEU HG A 53 PHE HB2 1.0 . 4.51 330 242 A 21 LEU HG A 53 PHE HB3 1.0 . 4.51 331 243 A 21 LEU HG A 56 GLU HB2 1.0 . 5.66 332 243 A 21 LEU HG A 56 GLU HB3 1.0 . 5.66 333 244 A 21 LEU HG A 57 LYS HB2 1.0 . 5.35 334 244 A 21 LEU HG A 57 LYS HB3 1.0 . 5.35 335 245 A 21 LEU HG A 57 LYS HGy 1.0 . 5.13 336 245 A 21 LEU HG A 57 LYS HGx 1.0 . 5.13 337 246 A 21 LEU HG A 57 LYS HDx 1.0 . 3.25 338 246 A 57 LYS HDy A 21 LEU HG 1.0 . 3.25 339 247 A 59 HIS HD1 A 21 LEU HG 1.0 . 4.84 340 248 A 21 LEU HG A 59 HIS HE1 1.0 . 4.98 341 249 A 21 LEU HDx% A 53 PHE HA 1.0 . 4.86 342 250 A 21 LEU HDx% A 53 PHE HB2 1.0 . 4.20 343 250 A 53 PHE HB3 A 21 LEU HDx% 1.0 . 4.20 344 251 A 21 LEU HDx% A 53 PHE HD% 1.0 . 5.32 345 252 A 22 GLU HA A 21 LEU HDy% 1.0 . 5.35 346 253 A 21 LEU HDy% A 24 LEU HB2 1.0 . 5.64 347 253 A 24 LEU HB3 A 21 LEU HDy% 1.0 . 5.64 348 254 A 59 HIS HE1 A 21 LEU HDy% 1.0 . 3.61 349 255 A 22 GLU H A 23 ASP H 1.0 . 2.81 350 256 A 22 GLU H A 23 ASP HA 1.0 . 5.44 351 257 A 23 ASP H A 22 GLU HA 1.0 . 3.86 352 258 A 22 GLU HA A 23 ASP HA 1.0 . 5.08 353 259 A 22 GLU HA A 26 HIS H 1.0 . 4.32 354 260 A 22 GLU HA A 26 HIS HD1 1.0 . 5.57 355 261 A 23 ASP H A 22 GLU HBy 1.0 . 3.68 356 261 A 23 ASP H A 22 GLU HBx 1.0 . 3.68 357 262 A 23 ASP HA A 22 GLU HBy 1.0 . 4.56 358 262 A 23 ASP HA A 22 GLU HBx 1.0 . 4.56 359 263 A 22 GLU HBx A 26 HIS HB2 1.0 . 5.36 360 263 A 22 GLU HBy A 26 HIS HB2 1.0 . 5.36 361 263 A 26 HIS HB3 A 22 GLU HBy 1.0 . 5.36 362 263 A 22 GLU HBx A 26 HIS HB3 1.0 . 5.36 363 264 A 23 ASP H A 24 LEU H 1.0 . 2.94 364 265 A 23 ASP H A 24 LEU HA 1.0 . 5.49 365 266 A 23 ASP H A 24 LEU HDx% 1.0 . 5.75 366 267 A 23 ASP H A 26 HIS H 1.0 . 5.01 367 268 A 23 ASP H A 27 GLU H 1.0 . 5.40 368 269 A 24 LEU H A 23 ASP HA 1.0 . 3.76 369 270 A 24 LEU HA A 23 ASP HA 1.0 . 5.16 370 271 A 25 TYR H A 23 ASP HA 1.0 . 4.91 371 272 A 23 ASP HA A 27 GLU HA 1.0 . 5.07 372 273 A 23 ASP HA A 27 GLU HB2 1.0 . 4.84 373 273 A 23 ASP HA A 27 GLU HB3 1.0 . 4.84 374 274 A 23 ASP HA A 28 PHE H 1.0 . 5.35 375 275 A 24 LEU H A 23 ASP HB2 1.0 . 4.00 376 275 A 23 ASP HB3 A 24 LEU H 1.0 . 4.00 377 276 A 24 LEU HA A 23 ASP HB2 1.0 . 4.58 378 276 A 23 ASP HB3 A 24 LEU HA 1.0 . 4.58 379 277 A 23 ASP HB3 A 27 GLU HB2 1.0 . 4.29 380 277 A 23 ASP HB2 A 27 GLU HB2 1.0 . 4.29 381 277 A 27 GLU HB3 A 23 ASP HB2 1.0 . 4.29 382 277 A 23 ASP HB3 A 27 GLU HB3 1.0 . 4.29 383 278 A 35 ILE HB A 23 ASP HB2 1.0 . 5.53 384 278 A 35 ILE HB A 23 ASP HB3 1.0 . 5.53 385 279 A 24 LEU H A 25 TYR H 1.0 . 3.20 386 280 A 24 LEU H A 25 TYR HA 1.0 . 5.73 387 281 A 24 LEU H A 25 TYR HB2 1.0 . 5.67 388 281 A 24 LEU H A 25 TYR HB3 1.0 . 5.67 389 282 A 24 LEU H A 26 HIS H 1.0 . 4.17 390 283 A 24 LEU H A 27 GLU H 1.0 . 4.83 391 284 A 24 LEU HA A 25 TYR H 1.0 . 3.87 392 285 A 24 LEU HA A 25 TYR HA 1.0 . 4.94 393 286 A 24 LEU HA A 26 HIS H 1.0 . 5.02 394 287 A 24 LEU HA A 28 PHE H 1.0 . 4.56 395 288 A 35 ILE HD1% A 24 LEU HA 1.0 . 4.32 396 289 A 24 LEU HA A 54 PHE HE% 1.0 . 5.68 397 290 A 24 LEU HA A 59 HIS HB2 1.0 . 3.71 398 290 A 24 LEU HA A 59 HIS HB3 1.0 . 3.71 399 291 A 24 LEU HA A 80 HIS HD1 1.0 . 3.30 400 292 A 24 LEU HA A 80 HIS HE1 1.0 . 2.29 401 293 A 25 TYR H A 24 LEU HB2 1.0 . 2.86 402 293 A 25 TYR H A 24 LEU HB3 1.0 . 2.86 403 294 A 25 TYR HA A 24 LEU HB2 1.0 . 4.19 404 294 A 24 LEU HB3 A 25 TYR HA 1.0 . 4.19 405 295 A 59 HIS H A 24 LEU HB2 1.0 . 5.24 406 295 A 24 LEU HB3 A 59 HIS H 1.0 . 5.24 407 296 A 60 THR H A 24 LEU HB2 1.0 . 5.46 408 296 A 24 LEU HB3 A 60 THR H 1.0 . 5.46 409 297 A 80 HIS HE1 A 24 LEU HB2 1.0 . 4.80 410 297 A 24 LEU HB3 A 80 HIS HE1 1.0 . 4.80 411 298 A 25 TYR H A 24 LEU HG 1.0 . 5.01 412 299 A 25 TYR HA A 24 LEU HG 1.0 . 5.80 413 300 A 35 ILE HD1% A 24 LEU HG 1.0 . 5.34 414 301 A 80 HIS HD1 A 24 LEU HG 1.0 . 4.83 415 302 A 80 HIS HE1 A 24 LEU HG 1.0 . 3.39 416 303 A 35 ILE HG2% A 24 LEU HDx% 1.0 . 5.38 417 304 A 24 LEU HDx% A 35 ILE HG1x 1.0 . 5.43 418 304 A 24 LEU HDx% A 35 ILE HG1y 1.0 . 5.43 419 305 A 24 LEU HDx% A 60 THR HB 1.0 . 3.87 420 306 A 24 LEU HD21 A 59 HIS HB2 1.0 . 4.03 421 306 A 59 HIS HB3 A 24 LEU HD21 1.0 . 4.03 422 307 A 59 HIS HD1 A 24 LEU HD21 1.0 . 2.74 423 308 A 59 HIS HE1 A 24 LEU HD21 1.0 . 5.22 424 309 A 60 THR H A 24 LEU HD21 1.0 . 3.80 425 310 A 60 THR HB A 24 LEU HD21 1.0 . 4.64 426 311 A 25 TYR H A 26 HIS H 1.0 . 2.65 427 312 A 25 TYR H A 26 HIS HA 1.0 . 5.30 428 313 A 25 TYR H A 26 HIS HD1 1.0 . 5.59 429 314 A 25 TYR H A 27 GLU H 1.0 . 4.73 430 315 A 25 TYR H A 28 PHE H 1.0 . 4.97 431 316 A 25 TYR H A 59 HIS HE1 1.0 . 5.04 432 317 A 26 HIS H A 25 TYR HA 1.0 . 3.81 433 318 A 25 TYR HA A 26 HIS HA 1.0 . 5.10 434 319 A 27 GLU H A 25 TYR HA 1.0 . 5.26 435 320 A 25 TYR HA A 29 SER H 1.0 . 4.30 436 321 A 25 TYR HA A 29 SER HG 1.0 . 5.59 437 322 A 25 TYR HA A 59 HIS HA 1.0 . 4.79 438 323 A 25 TYR HA A 59 HIS HB2 1.0 . 3.56 439 323 A 25 TYR HA A 59 HIS HB3 1.0 . 3.56 440 324 A 59 HIS HD1 A 25 TYR HA 1.0 . 5.48 441 325 A 26 HIS H A 25 TYR HB2 1.0 . 3.07 442 325 A 26 HIS H A 25 TYR HB3 1.0 . 3.07 443 326 A 28 PHE H A 25 TYR HD% 1.0 . 5.60 444 327 A 26 HIS H A 27 GLU H 1.0 . 3.16 445 328 A 26 HIS H A 27 GLU HA 1.0 . 5.70 446 329 A 26 HIS H A 27 GLU HB2 1.0 . 5.63 447 329 A 26 HIS H A 27 GLU HB3 1.0 . 5.63 448 330 A 26 HIS H A 28 PHE H 1.0 . 4.26 449 331 A 26 HIS H A 28 PHE HB2 1.0 . 5.00 450 331 A 26 HIS H A 28 PHE HB3 1.0 . 5.00 451 332 A 26 HIS H A 29 SER H 1.0 . 4.85 452 333 A 27 GLU H A 26 HIS HA 1.0 . 3.87 453 334 A 27 GLU HA A 26 HIS HA 1.0 . 5.07 454 335 A 28 PHE H A 26 HIS HA 1.0 . 4.80 455 336 A 26 HIS HA A 29 SER HG 1.0 . 5.37 456 337 A 27 GLU H A 26 HIS HB2 1.0 . 3.37 457 337 A 26 HIS HB3 A 27 GLU H 1.0 . 3.37 458 338 A 27 GLU HA A 26 HIS HB2 1.0 . 4.40 459 338 A 26 HIS HB3 A 27 GLU HA 1.0 . 4.40 460 339 A 26 HIS HB3 A 30 GLU HBy 1.0 . 4.56 461 339 A 26 HIS HB2 A 30 GLU HBy 1.0 . 4.56 462 339 A 30 GLU HBx A 26 HIS HB2 1.0 . 4.56 463 339 A 26 HIS HB3 A 30 GLU HBx 1.0 . 4.56 464 340 A 27 GLU H A 28 PHE H 1.0 . 3.02 465 341 A 27 GLU H A 28 PHE HA 1.0 . 5.62 466 342 A 27 GLU H A 30 GLU HGx 1.0 . 5.40 467 342 A 27 GLU H A 30 GLU HGy 1.0 . 5.40 468 343 A 27 GLU H A 80 HIS HD1 1.0 . 5.15 469 344 A 27 GLU HA A 28 PHE H 1.0 . 3.83 470 345 A 27 GLU HA A 28 PHE HA 1.0 . 5.08 471 346 A 27 GLU HA A 29 SER H 1.0 . 4.46 472 347 A 27 GLU HA A 31 ASP H 1.0 . 3.94 473 348 A 28 PHE H A 27 GLU HB2 1.0 . 2.96 474 348 A 27 GLU HB3 A 28 PHE H 1.0 . 2.96 475 349 A 28 PHE HA A 27 GLU HB2 1.0 . 4.26 476 349 A 27 GLU HB3 A 28 PHE HA 1.0 . 4.26 477 350 A 28 PHE H A 29 SER H 1.0 . 2.89 478 351 A 28 PHE H A 29 SER HA 1.0 . 5.53 479 352 A 28 PHE H A 30 GLU HGx 1.0 . 5.23 480 352 A 28 PHE H A 30 GLU HGy 1.0 . 5.23 481 353 A 28 PHE H A 31 ASP H 1.0 . 4.94 482 354 A 28 PHE H A 59 HIS HB2 1.0 . 5.29 483 354 A 28 PHE H A 59 HIS HB3 1.0 . 5.29 484 355 A 28 PHE H A 81 ILE HG2% 1.0 . 5.63 485 356 A 29 SER H A 28 PHE HA 1.0 . 3.79 486 357 A 28 PHE HA A 29 SER HA 1.0 . 4.96 487 358 A 28 PHE HA A 30 GLU H 1.0 . 4.36 488 359 A 28 PHE HA A 32 LYS HB2 1.0 . 5.43 489 359 A 28 PHE HA A 32 LYS HB3 1.0 . 5.43 490 360 A 28 PHE HA A 33 ARG H 1.0 . 4.99 491 361 A 28 PHE HA A 80 HIS HB2 1.0 . 3.82 492 361 A 28 PHE HA A 80 HIS HB3 1.0 . 3.82 493 362 A 80 HIS HD1 A 28 PHE HA 1.0 . 4.65 494 363 A 28 PHE HA A 81 ILE HD1% 1.0 . 4.96 495 364 A 29 SER H A 28 PHE HB2 1.0 . 3.26 496 364 A 29 SER H A 28 PHE HB3 1.0 . 3.26 497 365 A 29 SER HA A 28 PHE HB2 1.0 . 5.06 498 365 A 28 PHE HB3 A 29 SER HA 1.0 . 5.06 499 366 A 80 HIS HD1 A 28 PHE HB2 1.0 . 4.82 500 366 A 80 HIS HD1 A 28 PHE HB3 1.0 . 4.82 501 367 A 81 ILE HG2% A 28 PHE HB2 1.0 . 5.05 502 367 A 28 PHE HB3 A 81 ILE HG2% 1.0 . 5.05 503 368 A 81 ILE HG2% A 28 PHE HB2 1.0 . 5.31 504 368 A 28 PHE HB3 A 81 ILE HG2% 1.0 . 5.31 505 369 A 28 PHE HD% A 32 LYS HA 1.0 . 5.17 506 370 A 28 PHE HD% A 32 LYS HB2 1.0 . 5.65 507 370 A 32 LYS HB3 A 28 PHE HD% 1.0 . 5.65 508 371 A 28 PHE HD% A 80 HIS HB2 1.0 . 3.89 509 371 A 80 HIS HB3 A 28 PHE HD% 1.0 . 3.89 510 372 A 81 ILE HD1% A 28 PHE HD% 1.0 . 5.06 511 373 A 59 HIS HA A 28 PHE HE% 1.0 . 5.77 512 374 A 28 PHE HE% A 81 ILE H 1.0 . 4.89 513 375 A 28 PHE HE% A 81 ILE HA 1.0 . 4.25 514 376 A 29 SER H A 30 GLU H 1.0 . 2.60 515 377 A 29 SER H A 30 GLU HA 1.0 . 5.25 516 378 A 29 SER H A 30 GLU HBy 1.0 . 4.53 517 378 A 29 SER H A 30 GLU HBx 1.0 . 4.53 518 379 A 29 SER H A 30 GLU HGx 1.0 . 4.99 519 379 A 29 SER H A 30 GLU HGy 1.0 . 4.99 520 380 A 31 ASP H A 29 SER HA 1.0 . 4.81 521 381 A 30 GLU H A 29 SER HB2 1.0 . 4.26 522 381 A 30 GLU H A 29 SER HB3 1.0 . 4.26 523 382 A 30 GLU HA A 29 SER HB2 1.0 . 4.76 524 382 A 30 GLU HA A 29 SER HB3 1.0 . 4.76 525 383 A 29 SER HB3 A 30 GLU HBy 1.0 . 5.37 526 383 A 29 SER HB2 A 30 GLU HBy 1.0 . 5.37 527 383 A 30 GLU HBx A 29 SER HB2 1.0 . 5.37 528 383 A 30 GLU HBx A 29 SER HB3 1.0 . 5.37 529 384 A 31 ASP H A 30 GLU H 1.0 . 2.54 530 385 A 30 GLU H A 31 ASP HA 1.0 . 5.08 531 386 A 30 GLU H A 31 ASP HB2 1.0 . 5.42 532 386 A 30 GLU H A 31 ASP HB3 1.0 . 5.42 533 387 A 31 ASP H A 30 GLU HA 1.0 . 3.82 534 388 A 30 GLU HA A 31 ASP HA 1.0 . 4.93 535 389 A 30 GLU HA A 31 ASP HB2 1.0 . 4.82 536 389 A 30 GLU HA A 31 ASP HB3 1.0 . 4.82 537 390 A 31 ASP H A 30 GLU HBy 1.0 . 3.90 538 390 A 30 GLU HBx A 31 ASP H 1.0 . 3.90 539 391 A 30 GLU HBx A 31 ASP HB2 1.0 . 5.40 540 391 A 30 GLU HBy A 31 ASP HB2 1.0 . 5.40 541 391 A 31 ASP HB3 A 30 GLU HBy 1.0 . 5.40 542 391 A 30 GLU HBx A 31 ASP HB3 1.0 . 5.40 543 392 A 31 ASP H A 30 GLU HGx 1.0 . 2.26 544 392 A 30 GLU HGy A 31 ASP H 1.0 . 2.26 545 393 A 31 ASP H A 32 LYS H 1.0 . 4.65 546 394 A 31 ASP H A 32 LYS HA 1.0 . 4.91 547 395 A 31 ASP H A 81 ILE HG2% 1.0 . 5.52 548 396 A 31 ASP HA A 32 LYS H 1.0 . 2.74 549 397 A 32 LYS HA A 31 ASP HA 1.0 . 4.67 550 398 A 31 ASP HA A 32 LYS HB2 1.0 . 5.00 551 398 A 32 LYS HB3 A 31 ASP HA 1.0 . 5.00 552 399 A 31 ASP HA A 32 LYS HGx 1.0 . 5.01 553 399 A 31 ASP HA A 32 LYS HGy 1.0 . 5.01 554 400 A 81 ILE HG2% A 31 ASP HA 1.0 . 5.79 555 401 A 32 LYS H A 31 ASP HB2 1.0 . 4.21 556 401 A 31 ASP HB3 A 32 LYS H 1.0 . 4.21 557 402 A 33 ARG H A 32 LYS H 1.0 . 4.79 558 403 A 81 ILE HG2% A 32 LYS H 1.0 . 5.21 559 404 A 33 ARG H A 32 LYS HA 1.0 . 2.47 560 405 A 32 LYS HA A 33 ARG HA 1.0 . 4.75 561 406 A 32 LYS HA A 33 ARG HB2 1.0 . 5.43 562 406 A 32 LYS HA A 33 ARG HB3 1.0 . 5.43 563 407 A 33 ARG H A 34 SER H 1.0 . 4.62 564 408 A 33 ARG H A 34 SER HA 1.0 . 4.88 565 409 A 33 ARG H A 80 HIS H 1.0 . 4.19 566 410 A 81 ILE HG2% A 33 ARG H 1.0 . 3.09 567 411 A 81 ILE HG2% A 33 ARG H 1.0 . 4.45 568 412 A 33 ARG H A 82 ILE HA 1.0 . 5.15 569 413 A 33 ARG HA A 34 SER H 1.0 . 3.09 570 414 A 33 ARG HA A 34 SER HA 1.0 . 4.76 571 415 A 33 ARG HA A 80 HIS H 1.0 . 4.92 572 416 A 81 ILE HG2% A 33 ARG HA 1.0 . 5.45 573 417 A 33 ARG HA A 82 ILE HA 1.0 . 5.01 574 418 A 34 SER H A 33 ARG HB2 1.0 . 2.45 575 418 A 33 ARG HB3 A 34 SER H 1.0 . 2.45 576 419 A 34 SER HA A 33 ARG HB2 1.0 . 4.46 577 419 A 33 ARG HB3 A 34 SER HA 1.0 . 4.46 578 420 A 33 ARG HGx A 34 SER HB2 1.0 . 5.17 579 420 A 33 ARG HGy A 34 SER HB2 1.0 . 5.17 580 420 A 34 SER HB3 A 33 ARG HGx 1.0 . 5.17 581 420 A 33 ARG HGy A 34 SER HB3 1.0 . 5.17 582 421 A 34 SER H A 33 ARG HDx 1.0 . 4.74 583 421 A 34 SER H A 33 ARG HDy 1.0 . 4.74 584 422 A 34 SER H A 35 ILE H 1.0 . 4.78 585 423 A 34 SER H A 79 LEU HA 1.0 . 4.87 586 424 A 34 SER H A 79 LEU HD21 1.0 . 4.81 587 425 A 34 SER H A 80 HIS H 1.0 . 4.57 588 426 A 34 SER HA A 35 ILE H 1.0 . 2.60 589 427 A 35 ILE HA A 34 SER HA 1.0 . 4.71 590 428 A 34 SER HA A 78 GLU HB2 1.0 . 5.07 591 428 A 34 SER HA A 78 GLU HB3 1.0 . 5.07 592 429 A 34 SER HA A 80 HIS HB2 1.0 . 5.21 593 429 A 80 HIS HB3 A 34 SER HA 1.0 . 5.21 594 430 A 80 HIS HD1 A 34 SER HA 1.0 . 5.77 595 431 A 35 ILE H A 34 SER HB2 1.0 . 4.45 596 431 A 34 SER HB3 A 35 ILE H 1.0 . 4.45 597 432 A 36 PHE HE% A 34 SER HB2 1.0 . 5.06 598 432 A 34 SER HB3 A 36 PHE HE% 1.0 . 5.06 599 433 A 79 LEU HD21 A 34 SER HB2 1.0 . 2.39 600 433 A 34 SER HB3 A 79 LEU HD21 1.0 . 2.39 601 434 A 79 LEU HD21 A 34 SER HB2 1.0 . 4.05 602 434 A 34 SER HB3 A 79 LEU HD21 1.0 . 4.05 603 435 A 80 HIS H A 34 SER HB2 1.0 . 4.19 604 435 A 80 HIS H A 34 SER HB3 1.0 . 4.19 605 436 A 36 PHE H A 35 ILE H 1.0 . 4.79 606 437 A 36 PHE HA A 35 ILE H 1.0 . 5.22 607 438 A 36 PHE HD% A 35 ILE H 1.0 . 5.13 608 439 A 35 ILE H A 36 PHE HE% 1.0 . 5.50 609 440 A 35 ILE H A 77 TYR HA 1.0 . 5.01 610 441 A 35 ILE H A 78 GLU H 1.0 . 3.32 611 442 A 35 ILE H A 78 GLU HA 1.0 . 4.87 612 443 A 35 ILE H A 79 LEU HD21 1.0 . 5.74 613 444 A 80 HIS H A 35 ILE H 1.0 . 4.01 614 445 A 35 ILE HA A 36 PHE H 1.0 . 2.60 615 446 A 35 ILE HA A 36 PHE HA 1.0 . 4.70 616 447 A 35 ILE HA A 36 PHE HD% 1.0 . 4.84 617 448 A 35 ILE HB A 37 TYR HA 1.0 . 5.53 618 449 A 35 ILE HB A 78 GLU H 1.0 . 5.39 619 450 A 35 ILE HB A 78 GLU HB2 1.0 . 5.62 620 450 A 35 ILE HB A 78 GLU HB3 1.0 . 5.62 621 451 A 36 PHE H A 35 ILE HG2% 1.0 . 5.43 622 452 A 35 ILE HG2% A 78 GLU HB2 1.0 . 5.21 623 452 A 35 ILE HG2% A 78 GLU HB3 1.0 . 5.21 624 453 A 36 PHE H A 35 ILE HG1x 1.0 . 4.26 625 453 A 36 PHE H A 35 ILE HG1y 1.0 . 4.26 626 454 A 36 PHE HA A 35 ILE HG1x 1.0 . 4.40 627 454 A 36 PHE HA A 35 ILE HG1y 1.0 . 4.40 628 455 A 35 ILE HG1x A 76 LEU HB2 1.0 . 5.74 629 455 A 35 ILE HG1y A 76 LEU HB2 1.0 . 5.74 630 455 A 76 LEU HB3 A 35 ILE HG1x 1.0 . 5.74 631 455 A 35 ILE HG1y A 76 LEU HB3 1.0 . 5.74 632 456 A 35 ILE HD1% A 37 TYR HD% 1.0 . 4.60 633 457 A 35 ILE HD1% A 54 PHE HE% 1.0 . 5.41 634 458 A 35 ILE HD1% A 54 PHE HE% 1.0 . 3.04 635 459 A 36 PHE H A 37 TYR H 1.0 . 4.54 636 460 A 36 PHE H A 37 TYR HA 1.0 . 5.16 637 461 A 36 PHE H A 77 TYR HA 1.0 . 5.58 638 462 A 36 PHE H A 78 GLU H 1.0 . 5.23 639 463 A 37 TYR H A 36 PHE HA 1.0 . 2.44 640 464 A 36 PHE HA A 37 TYR HA 1.0 . 4.70 641 465 A 36 PHE HA A 37 TYR HB2 1.0 . 5.05 642 465 A 36 PHE HA A 37 TYR HB3 1.0 . 5.05 643 466 A 36 PHE HA A 76 LEU HDx% 1.0 . 5.54 644 467 A 36 PHE HA A 77 TYR H 1.0 . 4.99 645 468 A 36 PHE HA A 77 TYR HA 1.0 . 3.26 646 469 A 36 PHE HA A 77 TYR HDx 1.0 . 4.19 647 469 A 36 PHE HA A 77 TYR HDy 1.0 . 4.19 648 470 A 36 PHE HA A 78 GLU H 1.0 . 3.73 649 471 A 37 TYR H A 36 PHE HB2 1.0 . 3.91 650 471 A 36 PHE HB3 A 37 TYR H 1.0 . 3.91 651 472 A 37 TYR HA A 36 PHE HB2 1.0 . 5.37 652 472 A 36 PHE HB3 A 37 TYR HA 1.0 . 5.37 653 473 A 75 PHE HD% A 36 PHE HB2 1.0 . 5.70 654 473 A 36 PHE HB3 A 75 PHE HD% 1.0 . 5.70 655 474 A 77 TYR HA A 36 PHE HB2 1.0 . 4.77 656 474 A 36 PHE HB3 A 77 TYR HA 1.0 . 4.77 657 475 A 36 PHE HB3 A 77 TYR HDx 1.0 . 4.23 658 475 A 36 PHE HB3 A 77 TYR HDy 1.0 . 4.23 659 475 A 77 TYR HDy A 36 PHE HB2 1.0 . 4.23 660 475 A 36 PHE HB2 A 77 TYR HDx 1.0 . 4.23 661 476 A 36 PHE HD% A 37 TYR H 1.0 . 4.56 662 477 A 36 PHE HD% A 75 PHE HB2 1.0 . 4.87 663 477 A 36 PHE HD% A 75 PHE HB3 1.0 . 4.87 664 478 A 36 PHE HD% A 76 LEU N 1.0 . 5.52 665 479 A 36 PHE HD% A 77 TYR HDx 1.0 . 3.27 666 479 A 36 PHE HD% A 77 TYR HDy 1.0 . 3.27 667 480 A 36 PHE HD% A 78 GLU H 1.0 . 3.79 668 481 A 37 TYR H A 38 PHE H 1.0 . 4.64 669 482 A 37 TYR H A 38 PHE HA 1.0 . 5.42 670 483 A 37 TYR H A 76 LEU H 1.0 . 2.66 671 484 A 37 TYR H A 76 LEU HA 1.0 . 4.55 672 485 A 37 TYR H A 78 GLU HGx 1.0 . 5.32 673 485 A 37 TYR H A 78 GLU HGy 1.0 . 5.32 674 486 A 37 TYR HA A 38 PHE H 1.0 . 2.45 675 487 A 37 TYR HA A 38 PHE HA 1.0 . 4.70 676 488 A 37 TYR HA A 38 PHE HB2 1.0 . 4.79 677 488 A 37 TYR HA A 38 PHE HB3 1.0 . 4.79 678 489 A 37 TYR HA A 76 LEU HB2 1.0 . 4.97 679 489 A 37 TYR HA A 76 LEU HB3 1.0 . 4.97 680 490 A 38 PHE H A 37 TYR HB2 1.0 . 4.59 681 490 A 37 TYR HB3 A 38 PHE H 1.0 . 4.59 682 491 A 38 PHE HA A 37 TYR HB2 1.0 . 5.17 683 491 A 37 TYR HB3 A 38 PHE HA 1.0 . 5.17 684 492 A 76 LEU HD21 A 37 TYR HB2 1.0 . 5.02 685 492 A 37 TYR HB3 A 76 LEU HD21 1.0 . 5.02 686 493 A 37 TYR HD% A 54 PHE HE% 1.0 . 4.19 687 494 A 37 TYR HD% A 76 LEU HB2 1.0 . 5.18 688 494 A 37 TYR HD% A 76 LEU HB3 1.0 . 5.18 689 495 A 38 PHE H A 39 ALA H 1.0 . 4.58 690 496 A 38 PHE H A 39 ALA HA 1.0 . 5.50 691 497 A 38 PHE H A 39 ALA HB1 1.0 . 5.43 692 498 A 38 PHE H A 75 PHE HA 1.0 . 4.68 693 499 A 38 PHE HA A 39 ALA H 1.0 . 2.46 694 500 A 38 PHE HA A 39 ALA HA 1.0 . 4.69 695 501 A 38 PHE HA A 75 PHE HA 1.0 . 2.83 696 502 A 38 PHE HA A 75 PHE HB2 1.0 . 4.76 697 502 A 38 PHE HA A 75 PHE HB3 1.0 . 4.76 698 503 A 38 PHE HA A 75 PHE HE% 1.0 . 4.11 699 504 A 38 PHE HA A 75 PHE HD% 1.0 . 2.55 700 505 A 38 PHE HA A 76 LEU H 1.0 . 4.15 701 506 A 39 ALA H A 38 PHE HB2 1.0 . 4.77 702 506 A 38 PHE HB3 A 39 ALA H 1.0 . 4.77 703 507 A 39 ALA HA A 38 PHE HB2 1.0 . 5.27 704 507 A 38 PHE HB3 A 39 ALA HA 1.0 . 5.27 705 508 A 75 PHE HD% A 38 PHE HB2 1.0 . 4.26 706 508 A 38 PHE HB3 A 75 PHE HD% 1.0 . 4.26 707 509 A 38 PHE HD% A 39 ALA H 1.0 . 3.12 708 510 A 38 PHE HD% A 75 PHE H 1.0 . 4.75 709 511 A 38 PHE HD% A 75 PHE HA 1.0 . 4.14 710 512 A 40 PRO HA A 39 ALA H 1.0 . 5.54 711 513 A 39 ALA H A 40 PRO HDx 1.0 . 5.33 712 513 A 40 PRO HDy A 39 ALA H 1.0 . 5.33 713 514 A 39 ALA H A 74 ASP H 1.0 . 5.69 714 515 A 39 ALA H A 74 ASP HA 1.0 . 3.47 715 516 A 39 ALA H A 75 PHE HA 1.0 . 4.02 716 517 A 76 LEU H A 39 ALA H 1.0 . 4.95 717 518 A 39 ALA HA A 40 PRO HA 1.0 . 4.69 718 519 A 39 ALA HA A 40 PRO HBx 1.0 . 5.17 719 519 A 39 ALA HA A 40 PRO HBy 1.0 . 5.17 720 520 A 39 ALA HA A 74 ASP HA 1.0 . 5.61 721 521 A 39 ALA HA A 74 ASP HB2 1.0 . 5.56 722 521 A 39 ALA HA A 74 ASP HB3 1.0 . 5.56 723 522 A 39 ALA HB1 A 40 PRO HA 1.0 . 5.79 724 523 A 39 ALA HB1 A 40 PRO HGx 1.0 . 5.10 725 523 A 39 ALA HB1 A 40 PRO HGy 1.0 . 5.10 726 524 A 39 ALA HB1 A 40 PRO HDx 1.0 . 3.63 727 524 A 39 ALA HB1 A 40 PRO HDy 1.0 . 3.63 728 525 A 39 ALA HB1 A 46 ASP H 1.0 . 4.09 729 526 A 39 ALA HB1 A 46 ASP HA 1.0 . 4.74 730 527 A 39 ALA HB1 A 46 ASP HB2 1.0 . 2.55 731 527 A 39 ALA HB1 A 46 ASP HB3 1.0 . 2.55 732 528 A 39 ALA HB1 A 47 MET N 1.0 . 3.15 733 529 A 41 THR H A 42 ASN H 1.0 . 2.77 734 530 A 41 THR H A 42 ASN HA 1.0 . 5.42 735 531 A 41 THR HA A 43 ALA H 1.0 . 4.93 736 532 A 41 THR HA A 44 HIS H 1.0 . 4.42 737 533 A 41 THR HA A 44 HIS HA 1.0 . 4.59 738 534 A 41 THR HB A 73 LYS HA 1.0 . 5.53 739 535 A 41 THR HB A 73 LYS HB2 1.0 . 3.92 740 535 A 41 THR HB A 73 LYS HB3 1.0 . 3.92 741 536 A 41 THR HB A 74 ASP HB2 1.0 . 4.90 742 536 A 74 ASP HB3 A 41 THR HB 1.0 . 4.90 743 537 A 42 ASN H A 43 ALA H 1.0 . 2.59 744 538 A 42 ASN H A 43 ALA HA 1.0 . 5.29 745 539 A 42 ASN H A 44 HIS H 1.0 . 4.21 746 540 A 42 ASN H A 44 HIS HD1 1.0 . 4.75 747 541 A 42 ASN HA A 43 ALA H 1.0 . 3.82 748 542 A 42 ASN HA A 43 ALA HA 1.0 . 4.99 749 543 A 43 ALA HA A 42 ASN HB2 1.0 . 4.83 750 543 A 43 ALA HA A 42 ASN HB3 1.0 . 4.83 751 544 A 43 ALA HB% A 42 ASN HB2 1.0 . 5.42 752 544 A 42 ASN HB3 A 43 ALA HB% 1.0 . 5.42 753 545 A 43 ALA H A 44 HIS H 1.0 . 2.82 754 546 A 43 ALA H A 44 HIS HA 1.0 . 5.02 755 547 A 43 ALA HA A 45 LYS H 1.0 . 4.39 756 548 A 43 ALA HA A 45 LYS HDx 1.0 . 4.00 757 548 A 43 ALA HA A 45 LYS HDy 1.0 . 4.00 758 549 A 44 HIS H A 43 ALA HB% 1.0 . 2.88 759 550 A 44 HIS H A 45 LYS H 1.0 . 2.91 760 551 A 44 HIS HA A 45 LYS HA 1.0 . 5.03 761 552 A 44 HIS HA A 45 LYS HDx 1.0 . 5.68 762 552 A 44 HIS HA A 45 LYS HDy 1.0 . 5.68 763 553 A 44 HIS HA A 48 LEU H 1.0 . 4.11 764 554 A 44 HIS HA A 48 LEU HDx% 1.0 . 5.62 765 555 A 44 HIS HA A 48 LEU HDx% 1.0 . 4.62 766 556 A 45 LYS H A 44 HIS HBx 1.0 . 4.40 767 556 A 45 LYS H A 44 HIS HBy 1.0 . 4.40 768 557 A 48 LEU HG A 44 HIS HBx 1.0 . 4.81 769 557 A 44 HIS HBy A 48 LEU HG 1.0 . 4.81 770 558 A 48 LEU HDx% A 44 HIS HBx 1.0 . 2.49 771 558 A 48 LEU HDx% A 44 HIS HBy 1.0 . 2.49 772 559 A 46 ASP H A 45 LYS H 1.0 . 2.99 773 560 A 46 ASP HA A 45 LYS H 1.0 . 5.57 774 561 A 46 ASP H A 47 MET H 1.0 . 2.81 775 562 A 46 ASP H A 47 MET HA 1.0 . 5.42 776 563 A 46 ASP H A 47 MET HB2 1.0 . 5.66 777 563 A 46 ASP H A 47 MET HB3 1.0 . 5.66 778 564 A 46 ASP HA A 47 MET H 1.0 . 3.78 779 565 A 46 ASP HA A 47 MET HA 1.0 . 5.08 780 566 A 46 ASP HA A 53 PHE HE% 1.0 . 5.64 781 567 A 47 MET H A 46 ASP HB2 1.0 . 3.68 782 567 A 46 ASP HB3 A 47 MET H 1.0 . 3.68 783 568 A 47 MET HA A 46 ASP HB2 1.0 . 4.32 784 568 A 46 ASP HB3 A 47 MET HA 1.0 . 4.32 785 569 A 49 LYS H A 46 ASP HB2 1.0 . 5.72 786 569 A 46 ASP HB3 A 49 LYS H 1.0 . 5.72 787 570 A 50 ALA H A 46 ASP HB2 1.0 . 5.21 788 570 A 46 ASP HB3 A 50 ALA H 1.0 . 5.21 789 571 A 48 LEU HDx% A 47 MET H 1.0 . 5.66 790 572 A 47 MET H A 49 LYS H 1.0 . 4.40 791 573 A 47 MET H A 50 ALA HB% 1.0 . 5.45 792 574 A 48 LEU H A 47 MET HA 1.0 . 3.85 793 575 A 47 MET HA A 48 LEU HA 1.0 . 5.12 794 576 A 47 MET HA A 51 VAL HGx% 1.0 . 5.58 795 576 A 47 MET HA A 51 VAL HGy% 1.0 . 5.58 796 577 A 47 MET HA A 51 VAL HGx% 1.0 . 4.67 797 577 A 47 MET HA A 51 VAL HGy% 1.0 . 4.67 798 578 A 48 LEU H A 47 MET HB2 1.0 . 2.86 799 578 A 48 LEU H A 47 MET HB3 1.0 . 2.86 800 579 A 48 LEU HA A 47 MET HB2 1.0 . 4.13 801 579 A 47 MET HB3 A 48 LEU HA 1.0 . 4.13 802 580 A 48 LEU HG A 47 MET HB2 1.0 . 5.06 803 580 A 48 LEU HG A 47 MET HB3 1.0 . 5.06 804 581 A 51 VAL H A 47 MET HB2 1.0 . 5.68 805 581 A 47 MET HB3 A 51 VAL H 1.0 . 5.68 806 582 A 47 MET HB2 A 51 VAL HGx% 1.0 . 5.02 807 582 A 47 MET HB3 A 51 VAL HGx% 1.0 . 5.02 808 582 A 51 VAL HGy% A 47 MET HB2 1.0 . 5.02 809 582 A 47 MET HB3 A 51 VAL HGy% 1.0 . 5.02 810 583 A 48 LEU H A 47 MET HGx 1.0 . 5.25 811 583 A 48 LEU H A 47 MET HGy 1.0 . 5.25 812 584 A 50 ALA HB% A 47 MET HGx 1.0 . 5.67 813 584 A 50 ALA HB% A 47 MET HGy 1.0 . 5.67 814 585 A 47 MET HGy A 51 VAL HGx% 1.0 . 5.45 815 585 A 47 MET HGx A 51 VAL HGx% 1.0 . 5.45 816 585 A 51 VAL HGy% A 47 MET HGx 1.0 . 5.45 817 585 A 51 VAL HGy% A 47 MET HGy 1.0 . 5.45 818 586 A 48 LEU H A 49 LYS H 1.0 . 3.05 819 587 A 48 LEU H A 49 LYS HA 1.0 . 5.66 820 588 A 48 LEU H A 49 LYS HGx 1.0 . 5.11 821 588 A 48 LEU H A 49 LYS HGy 1.0 . 5.11 822 589 A 48 LEU H A 50 ALA H 1.0 . 4.23 823 590 A 48 LEU H A 51 VAL H 1.0 . 5.54 824 591 A 48 LEU H A 51 VAL HGx% 1.0 . 5.73 825 591 A 48 LEU H A 51 VAL HGy% 1.0 . 5.73 826 592 A 49 LYS H A 48 LEU HA 1.0 . 3.83 827 593 A 48 LEU HA A 49 LYS HA 1.0 . 5.00 828 594 A 50 ALA H A 48 LEU HA 1.0 . 4.58 829 595 A 50 ALA HB% A 48 LEU HA 1.0 . 5.51 830 596 A 48 LEU HA A 52 ASP HB2 1.0 . 5.63 831 596 A 48 LEU HA A 52 ASP HB3 1.0 . 5.63 832 597 A 49 LYS H A 48 LEU HB2 1.0 . 3.29 833 597 A 49 LYS H A 48 LEU HB3 1.0 . 3.29 834 598 A 49 LYS HA A 48 LEU HB2 1.0 . 4.22 835 598 A 49 LYS HA A 48 LEU HB3 1.0 . 4.22 836 599 A 48 LEU HB2 A 49 LYS HGx 1.0 . 3.85 837 599 A 48 LEU HB3 A 49 LYS HGx 1.0 . 3.85 838 599 A 49 LYS HGy A 48 LEU HB2 1.0 . 3.85 839 599 A 49 LYS HGy A 48 LEU HB3 1.0 . 3.85 840 600 A 48 LEU HB2 A 49 LYS HEx 1.0 . 5.40 841 600 A 48 LEU HB3 A 49 LYS HEx 1.0 . 5.40 842 600 A 49 LYS HEy A 48 LEU HB2 1.0 . 5.40 843 600 A 48 LEU HB3 A 49 LYS HEy 1.0 . 5.40 844 601 A 48 LEU HDx% A 49 LYS H 1.0 . 5.62 845 602 A 48 LEU HDx% A 49 LYS H 1.0 . 5.69 846 603 A 49 LYS H A 50 ALA H 1.0 . 2.70 847 604 A 49 LYS H A 50 ALA HA 1.0 . 5.31 848 605 A 49 LYS H A 50 ALA HB% 1.0 . 4.89 849 606 A 51 VAL H A 49 LYS HA 1.0 . 5.16 850 607 A 49 LYS HA A 52 ASP H 1.0 . 3.78 851 608 A 49 LYS HA A 52 ASP HA 1.0 . 5.59 852 609 A 53 PHE HE% A 49 LYS HA 1.0 . 5.17 853 610 A 50 ALA H A 49 LYS HB2 1.0 . 4.11 854 610 A 50 ALA H A 49 LYS HB3 1.0 . 4.11 855 611 A 50 ALA HA A 49 LYS HB2 1.0 . 4.72 856 611 A 50 ALA HA A 49 LYS HB3 1.0 . 4.72 857 612 A 53 PHE HE% A 49 LYS HB2 1.0 . 2.75 858 612 A 53 PHE HE% A 49 LYS HB3 1.0 . 2.75 859 613 A 50 ALA H A 49 LYS HGx 1.0 . 4.86 860 613 A 50 ALA H A 49 LYS HGy 1.0 . 4.86 861 614 A 49 LYS HGy A 52 ASP HB2 1.0 . 5.67 862 614 A 49 LYS HGx A 52 ASP HB2 1.0 . 5.67 863 614 A 52 ASP HB3 A 49 LYS HGx 1.0 . 5.67 864 614 A 49 LYS HGy A 52 ASP HB3 1.0 . 5.67 865 615 A 50 ALA H A 51 VAL H 1.0 . 3.23 866 616 A 50 ALA H A 51 VAL HA 1.0 . 5.75 867 617 A 50 ALA H A 51 VAL HB 1.0 . 5.36 868 618 A 50 ALA H A 51 VAL HGx% 1.0 . 4.96 869 618 A 50 ALA H A 51 VAL HGy% 1.0 . 4.96 870 619 A 50 ALA HA A 52 ASP H 1.0 . 4.59 871 620 A 50 ALA HA A 52 ASP HB2 1.0 . 5.63 872 620 A 52 ASP HB3 A 50 ALA HA 1.0 . 5.63 873 621 A 53 PHE HE% A 50 ALA HA 1.0 . 4.97 874 622 A 54 PHE HE% A 50 ALA HA 1.0 . 5.13 875 623 A 50 ALA HB% A 51 VAL H 1.0 . 3.66 876 624 A 50 ALA HB% A 51 VAL HA 1.0 . 4.73 877 625 A 50 ALA HB% A 51 VAL HGx% 1.0 . 4.83 878 625 A 50 ALA HB% A 51 VAL HGy% 1.0 . 4.83 879 626 A 54 PHE HE% A 50 ALA HB% 1.0 . 5.64 880 627 A 50 ALA HB% A 76 LEU HB2 1.0 . 5.27 881 627 A 76 LEU HB3 A 50 ALA HB% 1.0 . 5.27 882 628 A 51 VAL H A 52 ASP H 1.0 . 3.03 883 629 A 51 VAL H A 52 ASP HA 1.0 . 5.63 884 630 A 51 VAL H A 52 ASP HB2 1.0 . 5.03 885 630 A 51 VAL H A 52 ASP HB3 1.0 . 5.03 886 631 A 52 ASP H A 51 VAL HA 1.0 . 3.81 887 632 A 52 ASP HA A 51 VAL HA 1.0 . 5.03 888 633 A 51 VAL HA A 53 PHE H 1.0 . 4.43 889 634 A 51 VAL HA A 54 PHE H 1.0 . 3.89 890 635 A 51 VAL HA A 54 PHE HB2 1.0 . 5.05 891 635 A 51 VAL HA A 54 PHE HB3 1.0 . 5.05 892 636 A 76 LEU HDx% A 51 VAL HA 1.0 . 5.56 893 637 A 52 ASP H A 51 VAL HB 1.0 . 3.07 894 638 A 52 ASP HA A 51 VAL HB 1.0 . 4.57 895 639 A 63 LEU HDx% A 51 VAL HGx% 1.0 . 3.75 896 640 A 63 LEU HDx% A 51 VAL HGx% 1.0 . 5.10 897 641 A 51 VAL HGy% A 52 ASP H 1.0 . 5.04 898 642 A 51 VAL HGy% A 54 PHE HD% 1.0 . 4.00 899 643 A 51 VAL HGy% A 63 LEU HDx% 1.0 . 4.45 900 644 A 51 VAL HGy% A 63 LEU HDx% 1.0 . 5.42 901 645 A 52 ASP H A 53 PHE H 1.0 . 2.77 902 646 A 53 PHE HA A 52 ASP H 1.0 . 5.40 903 647 A 52 ASP H A 55 LYS H 1.0 . 5.26 904 648 A 52 ASP H A 55 LYS HB2 1.0 . 5.75 905 648 A 52 ASP H A 55 LYS HB3 1.0 . 5.75 906 649 A 52 ASP HA A 53 PHE H 1.0 . 3.77 907 650 A 53 PHE HA A 52 ASP HA 1.0 . 5.04 908 651 A 52 ASP HA A 55 LYS HDx 1.0 . 4.73 909 651 A 52 ASP HA A 55 LYS HDy 1.0 . 4.73 910 652 A 52 ASP HA A 56 GLU H 1.0 . 4.69 911 653 A 53 PHE H A 52 ASP HB2 1.0 . 3.34 912 653 A 52 ASP HB3 A 53 PHE H 1.0 . 3.34 913 654 A 54 PHE H A 52 ASP HB2 1.0 . 5.72 914 654 A 52 ASP HB3 A 54 PHE H 1.0 . 5.72 915 655 A 53 PHE H A 54 PHE H 1.0 . 2.85 916 656 A 53 PHE H A 54 PHE HA 1.0 . 5.47 917 657 A 53 PHE H A 54 PHE HD% 1.0 . 5.57 918 658 A 53 PHE H A 55 LYS H 1.0 . 4.22 919 659 A 53 PHE HA A 54 PHE H 1.0 . 3.85 920 660 A 53 PHE HA A 56 GLU HGx 1.0 . 5.35 921 660 A 53 PHE HA A 56 GLU HGy 1.0 . 5.35 922 661 A 53 PHE HA A 57 LYS H 1.0 . 4.74 923 662 A 53 PHE HA A 57 LYS HGy 1.0 . 5.68 924 662 A 57 LYS HGx A 53 PHE HA 1.0 . 5.68 925 663 A 57 LYS H A 53 PHE HB2 1.0 . 5.62 926 663 A 53 PHE HB3 A 57 LYS H 1.0 . 5.62 927 664 A 53 PHE HD% A 54 PHE H 1.0 . 5.31 928 665 A 54 PHE H A 55 LYS H 1.0 . 2.98 929 666 A 54 PHE H A 55 LYS HA 1.0 . 5.60 930 667 A 54 PHE H A 55 LYS HB2 1.0 . 5.17 931 667 A 54 PHE H A 55 LYS HB3 1.0 . 5.17 932 668 A 54 PHE H A 56 GLU H 1.0 . 4.21 933 669 A 54 PHE H A 63 LEU HDx% 1.0 . 5.72 934 670 A 54 PHE H A 63 LEU HDx% 1.0 . 5.78 935 671 A 55 LYS H A 54 PHE HA 1.0 . 3.80 936 672 A 54 PHE HA A 55 LYS HA 1.0 . 4.97 937 673 A 60 THR HB A 54 PHE HA 1.0 . 5.44 938 674 A 55 LYS H A 54 PHE HB2 1.0 . 4.09 939 674 A 54 PHE HB3 A 55 LYS H 1.0 . 4.09 940 675 A 55 LYS HA A 54 PHE HB2 1.0 . 4.78 941 675 A 54 PHE HB3 A 55 LYS HA 1.0 . 4.78 942 676 A 63 LEU HDx% A 54 PHE HB2 1.0 . 5.23 943 676 A 54 PHE HB3 A 63 LEU HDx% 1.0 . 5.23 944 677 A 63 LEU HD21 A 54 PHE HB2 1.0 . 5.63 945 677 A 54 PHE HB3 A 63 LEU HD21 1.0 . 5.63 946 678 A 54 PHE HB2 A 78 GLU HGx 1.0 . 5.54 947 678 A 54 PHE HB3 A 78 GLU HGx 1.0 . 5.54 948 678 A 78 GLU HGy A 54 PHE HB2 1.0 . 5.54 949 678 A 78 GLU HGy A 54 PHE HB3 1.0 . 5.54 950 679 A 54 PHE HD% A 55 LYS H 1.0 . 5.21 951 680 A 54 PHE HD% A 76 LEU HG 1.0 . 4.85 952 681 A 76 LEU HDx% A 54 PHE HD% 1.0 . 4.12 953 682 A 54 PHE HD% A 78 GLU HGx 1.0 . 4.26 954 682 A 78 GLU HGy A 54 PHE HD% 1.0 . 4.26 955 683 A 54 PHE HE% A 63 LEU HB2 1.0 . 5.60 956 683 A 54 PHE HE% A 63 LEU HB3 1.0 . 5.60 957 684 A 54 PHE HE% A 63 LEU HDx% 1.0 . 4.13 958 685 A 54 PHE HE% A 63 LEU HDx% 1.0 . 5.78 959 686 A 55 LYS H A 56 GLU H 1.0 . 2.62 960 687 A 55 LYS H A 56 GLU HA 1.0 . 5.25 961 688 A 55 LYS H A 56 GLU HB2 1.0 . 4.89 962 688 A 56 GLU HB3 A 55 LYS H 1.0 . 4.89 963 689 A 55 LYS H A 57 LYS H 1.0 . 4.29 964 690 A 63 LEU HDx% A 55 LYS H 1.0 . 5.49 965 691 A 56 GLU H A 55 LYS HA 1.0 . 3.73 966 692 A 55 LYS HA A 56 GLU HA 1.0 . 5.03 967 693 A 57 LYS H A 55 LYS HA 1.0 . 4.21 968 694 A 55 LYS HA A 58 GLY HA2 1.0 . 5.57 969 695 A 56 GLU H A 55 LYS HB2 1.0 . 3.39 970 695 A 55 LYS HB3 A 56 GLU H 1.0 . 3.39 971 696 A 56 GLU HA A 55 LYS HB2 1.0 . 4.75 972 696 A 55 LYS HB3 A 56 GLU HA 1.0 . 4.75 973 697 A 55 LYS HB2 A 56 GLU HB2 1.0 . 5.62 974 697 A 55 LYS HB3 A 56 GLU HB2 1.0 . 5.62 975 697 A 56 GLU HB3 A 55 LYS HB2 1.0 . 5.62 976 697 A 56 GLU HB3 A 55 LYS HB3 1.0 . 5.62 977 698 A 57 LYS H A 55 LYS HB2 1.0 . 5.44 978 698 A 55 LYS HB3 A 57 LYS H 1.0 . 5.44 979 699 A 56 GLU H A 57 LYS H 1.0 . 2.74 980 700 A 56 GLU H A 57 LYS HA 1.0 . 5.42 981 701 A 56 GLU H A 57 LYS HGy 1.0 . 5.16 982 702 A 57 LYS H A 56 GLU HA 1.0 . 3.75 983 703 A 56 GLU HA A 57 LYS HA 1.0 . 4.81 984 704 A 56 GLU HA A 57 LYS HGy 1.0 . 4.61 985 704 A 57 LYS HGx A 56 GLU HA 1.0 . 4.61 986 705 A 56 GLU HA A 57 LYS HEx 1.0 . 4.63 987 705 A 56 GLU HA A 57 LYS HEy 1.0 . 4.63 988 706 A 57 LYS H A 56 GLU HB2 1.0 . 3.30 989 706 A 56 GLU HB3 A 57 LYS H 1.0 . 3.30 990 707 A 57 LYS HA A 56 GLU HB2 1.0 . 5.11 991 707 A 56 GLU HB3 A 57 LYS HA 1.0 . 5.11 992 708 A 56 GLU CD A 52 ASP CG 1.0 . 5.00 993 709 A 57 LYS H A 58 GLY H 1.0 . 4.64 994 710 A 57 LYS H A 58 GLY HA2 1.0 . 5.01 995 711 A 59 HIS H A 57 LYS H 1.0 . 5.47 996 712 A 59 HIS HD1 A 57 LYS H 1.0 . 5.47 997 713 A 57 LYS HA A 58 GLY H 1.0 . 2.51 998 714 A 58 GLY HA2 A 57 LYS HA 1.0 . 4.66 999 715 A 58 GLY H A 57 LYS HB2 1.0 . 3.32 1000 715 A 57 LYS HB3 A 58 GLY H 1.0 . 3.32 1001 716 A 59 HIS H A 57 LYS HB2 1.0 . 4.83 1002 716 A 57 LYS HB3 A 59 HIS H 1.0 . 4.83 1003 717 A 59 HIS HD1 A 57 LYS HB2 1.0 . 2.96 1004 717 A 59 HIS HD1 A 57 LYS HB3 1.0 . 2.96 1005 718 A 59 HIS H A 58 GLY H 1.0 . 4.36 1006 719 A 59 HIS HA A 58 GLY H 1.0 . 5.54 1007 720 A 59 HIS HA A 58 GLY HA2 1.0 . 4.68 1008 721 A 60 THR H A 58 GLY HA3 1.0 . 5.32 1009 722 A 59 HIS H A 60 THR H 1.0 . 2.11 1010 723 A 59 HIS H A 60 THR HA 1.0 . 4.87 1011 724 A 60 THR H A 59 HIS HA 1.0 . 3.80 1012 725 A 60 THR H A 61 ALA H 1.0 . 4.86 1013 726 A 60 THR H A 61 ALA HA 1.0 . 5.55 1014 727 A 60 THR H A 80 HIS HA 1.0 . 5.44 1015 728 A 60 THR HA A 61 ALA H 1.0 . 2.53 1016 729 A 60 THR HA A 61 ALA HA 1.0 . 4.64 1017 730 A 81 ILE H A 60 THR HA 1.0 . 3.50 1018 731 A 81 ILE HA A 60 THR HA 1.0 . 5.71 1019 732 A 81 ILE HG2% A 60 THR HA 1.0 . 5.32 1020 733 A 60 THR HB A 61 ALA H 1.0 . 4.27 1021 734 A 60 THR HB A 62 TYR H 1.0 . 5.05 1022 735 A 60 THR HB A 80 HIS HB2 1.0 . 5.47 1023 735 A 60 THR HB A 80 HIS HB3 1.0 . 5.47 1024 736 A 80 HIS HD1 A 60 THR HB 1.0 . 5.32 1025 737 A 61 ALA H A 62 TYR H 1.0 . 2.71 1026 738 A 61 ALA H A 62 TYR HA 1.0 . 5.30 1027 739 A 61 ALA H A 78 GLU HB2 1.0 . 5.79 1028 739 A 78 GLU HB3 A 61 ALA H 1.0 . 5.79 1029 740 A 81 ILE HA A 61 ALA H 1.0 . 4.57 1030 741 A 61 ALA H A 82 ILE H 1.0 . 4.95 1031 742 A 61 ALA HA A 62 TYR H 1.0 . 3.83 1032 743 A 61 ALA HA A 62 TYR HA 1.0 . 4.85 1033 744 A 81 ILE HA A 61 ALA HA 1.0 . 4.93 1034 745 A 61 ALA HB% A 79 LEU HB3 1.0 . 3.77 1035 746 A 61 ALA HB% A 79 LEU HDx% 1.0 . 5.08 1036 747 A 79 LEU HD21 A 61 ALA HB% 1.0 . 5.71 1037 748 A 62 TYR H A 63 LEU H 1.0 . 4.69 1038 749 A 62 TYR H A 63 LEU HA 1.0 . 5.07 1039 750 A 80 HIS HA A 62 TYR H 1.0 . 4.22 1040 751 A 81 ILE H A 62 TYR H 1.0 . 4.85 1041 752 A 62 TYR HA A 63 LEU H 1.0 . 2.62 1042 753 A 62 TYR HA A 63 LEU HA 1.0 . 4.76 1043 754 A 62 TYR HA A 63 LEU HB2 1.0 . 4.36 1044 754 A 63 LEU HB3 A 62 TYR HA 1.0 . 4.36 1045 755 A 63 LEU HD21 A 62 TYR HA 1.0 . 5.27 1046 756 A 79 LEU H A 62 TYR HB2 1.0 . 3.77 1047 756 A 62 TYR HB3 A 79 LEU H 1.0 . 3.77 1048 757 A 62 TYR HB2 A 79 LEU HB3 1.0 . 4.87 1049 757 A 62 TYR HB3 A 79 LEU HB3 1.0 . 4.87 1050 757 A 79 LEU HB2 A 62 TYR HB2 1.0 . 4.87 1051 757 A 62 TYR HB3 A 79 LEU HB2 1.0 . 4.87 1052 758 A 79 LEU HG A 62 TYR HB2 1.0 . 4.68 1053 758 A 62 TYR HB3 A 79 LEU HG 1.0 . 4.68 1054 759 A 79 LEU HDx% A 62 TYR HB2 1.0 . 4.62 1055 759 A 79 LEU HDx% A 62 TYR HB3 1.0 . 4.62 1056 760 A 63 LEU H A 62 TYR HD% 1.0 . 2.77 1057 761 A 63 LEU H A 62 TYR HE% 1.0 . 5.05 1058 762 A 63 LEU HD21 A 62 TYR HE% 1.0 . 5.71 1059 763 A 63 LEU H A 64 ASP H 1.0 . 4.57 1060 764 A 63 LEU H A 64 ASP HA 1.0 . 5.29 1061 765 A 76 LEU HDx% A 63 LEU HA 1.0 . 4.24 1062 766 A 63 LEU HA A 77 TYR HB2 1.0 . 5.70 1063 766 A 63 LEU HA A 77 TYR HB3 1.0 . 5.70 1064 767 A 78 GLU H A 63 LEU HA 1.0 . 5.05 1065 768 A 64 ASP H A 63 LEU HB2 1.0 . 4.64 1066 768 A 63 LEU HB3 A 64 ASP H 1.0 . 4.64 1067 769 A 76 LEU HDx% A 63 LEU HB2 1.0 . 4.68 1068 769 A 76 LEU HDx% A 63 LEU HB3 1.0 . 4.68 1069 770 A 76 LEU HDx% A 63 LEU HB2 1.0 . 5.43 1070 770 A 76 LEU HDx% A 63 LEU HB3 1.0 . 5.43 1071 771 A 63 LEU HB2 A 78 GLU HB2 1.0 . 5.23 1072 771 A 63 LEU HB3 A 78 GLU HB2 1.0 . 5.23 1073 771 A 78 GLU HB3 A 63 LEU HB2 1.0 . 5.23 1074 771 A 78 GLU HB3 A 63 LEU HB3 1.0 . 5.23 1075 772 A 63 LEU HB2 A 78 GLU HGx 1.0 . 4.41 1076 772 A 63 LEU HB3 A 78 GLU HGx 1.0 . 4.41 1077 772 A 78 GLU HGy A 63 LEU HB2 1.0 . 4.41 1078 772 A 78 GLU HGy A 63 LEU HB3 1.0 . 4.41 1079 773 A 79 LEU H A 63 LEU HB2 1.0 . 5.34 1080 773 A 63 LEU HB3 A 79 LEU H 1.0 . 5.34 1081 774 A 64 ASP H A 63 LEU HG 1.0 . 4.09 1082 775 A 64 ASP HA A 63 LEU HG 1.0 . 3.77 1083 776 A 63 LEU HDx% A 64 ASP H 1.0 . 5.45 1084 777 A 63 LEU HDx% A 76 LEU HG 1.0 . 4.90 1085 778 A 76 LEU HDx% A 63 LEU HDx% 1.0 . 3.72 1086 779 A 76 LEU HDx% A 63 LEU HDx% 1.0 . 4.62 1087 780 A 64 ASP H A 65 GLU H 1.0 . 4.68 1088 781 A 64 ASP H A 65 GLU HA 1.0 . 5.06 1089 782 A 76 LEU HA A 64 ASP H 1.0 . 5.19 1090 783 A 64 ASP H A 76 LEU HB2 1.0 . 5.49 1091 783 A 76 LEU HB3 A 64 ASP H 1.0 . 5.49 1092 784 A 77 TYR HA A 64 ASP H 1.0 . 5.08 1093 785 A 79 LEU H A 64 ASP H 1.0 . 4.75 1094 786 A 64 ASP HA A 65 GLU H 1.0 . 2.69 1095 787 A 64 ASP HA A 65 GLU HA 1.0 . 4.62 1096 788 A 64 ASP HA A 65 GLU HB2 1.0 . 4.81 1097 788 A 64 ASP HA A 65 GLU HB3 1.0 . 4.81 1098 789 A 76 LEU HD21 A 64 ASP HA 1.0 . 4.12 1099 790 A 77 TYR H A 64 ASP HA 1.0 . 5.42 1100 791 A 65 GLU H A 64 ASP HB2 1.0 . 3.58 1101 791 A 65 GLU H A 64 ASP HB3 1.0 . 3.58 1102 792 A 65 GLU HA A 64 ASP HB2 1.0 . 5.07 1103 792 A 65 GLU HA A 64 ASP HB3 1.0 . 5.07 1104 793 A 64 ASP HB3 A 77 TYR HB2 1.0 . 4.03 1105 793 A 64 ASP HB2 A 77 TYR HB2 1.0 . 4.03 1106 793 A 77 TYR HB3 A 64 ASP HB2 1.0 . 4.03 1107 793 A 77 TYR HB3 A 64 ASP HB3 1.0 . 4.03 1108 794 A 64 ASP HB3 A 77 TYR HDx 1.0 . 5.66 1109 794 A 64 ASP HB3 A 77 TYR HDy 1.0 . 5.66 1110 794 A 77 TYR HDy A 64 ASP HB2 1.0 . 5.66 1111 794 A 64 ASP HB2 A 77 TYR HDx 1.0 . 5.66 1112 795 A 65 GLU H A 66 VAL H 1.0 . 4.91 1113 796 A 76 LEU HDx% A 65 GLU H 1.0 . 5.46 1114 797 A 76 LEU HD21 A 65 GLU H 1.0 . 5.14 1115 798 A 77 TYR H A 65 GLU H 1.0 . 4.87 1116 799 A 65 GLU HA A 66 VAL H 1.0 . 2.67 1117 800 A 76 LEU H A 65 GLU HA 1.0 . 5.41 1118 801 A 76 LEU HA A 65 GLU HA 1.0 . 2.57 1119 802 A 77 TYR H A 65 GLU HA 1.0 . 3.16 1120 803 A 65 GLU HA A 77 TYR HDx 1.0 . 5.23 1121 803 A 65 GLU HA A 77 TYR HDy 1.0 . 5.23 1122 804 A 66 VAL H A 65 GLU HB2 1.0 . 4.12 1123 804 A 65 GLU HB3 A 66 VAL H 1.0 . 4.12 1124 805 A 65 GLU HB2 A 66 VAL HGx% 1.0 . 5.56 1125 805 A 65 GLU HB3 A 66 VAL HGx% 1.0 . 5.56 1126 806 A 69 SER HA A 65 GLU HB2 1.0 . 5.80 1127 806 A 65 GLU HB3 A 69 SER HA 1.0 . 5.80 1128 807 A 65 GLU HB2 A 69 SER HB2 1.0 . 3.91 1129 807 A 69 SER HB3 A 65 GLU HB2 1.0 . 3.91 1130 807 A 65 GLU HB3 A 69 SER HB3 1.0 . 3.91 1131 807 A 65 GLU HB3 A 69 SER HB2 1.0 . 3.91 1132 808 A 76 LEU HDx% A 65 GLU HB2 1.0 . 4.89 1133 808 A 76 LEU HDx% A 65 GLU HB3 1.0 . 4.89 1134 809 A 76 LEU HD21 A 65 GLU HB2 1.0 . 3.85 1135 809 A 76 LEU HD21 A 65 GLU HB3 1.0 . 3.85 1136 810 A 66 VAL H A 67 ARG H 1.0 . 4.93 1137 811 A 66 VAL H A 68 VAL H 1.0 . 5.46 1138 812 A 66 VAL H A 68 VAL HG11 1.0 . 5.58 1139 813 A 76 LEU H A 66 VAL H 1.0 . 5.26 1140 814 A 66 VAL HA A 68 VAL HG11 1.0 . 5.40 1141 815 A 66 VAL HA A 69 SER H 1.0 . 5.26 1142 816 A 76 LEU HA A 66 VAL HA 1.0 . 4.96 1143 817 A 77 TYR H A 66 VAL HA 1.0 . 3.90 1144 818 A 77 TYR HA A 66 VAL HA 1.0 . 5.43 1145 819 A 69 SER HA A 66 VAL HGx% 1.0 . 3.98 1146 819 A 69 SER HA A 66 VAL HGy% 1.0 . 3.98 1147 820 A 66 VAL HGy% A 69 SER HB2 1.0 . 4.65 1148 820 A 66 VAL HGx% A 69 SER HB2 1.0 . 4.65 1149 820 A 69 SER HB3 A 66 VAL HGx% 1.0 . 4.65 1150 820 A 69 SER HB3 A 66 VAL HGy% 1.0 . 4.65 1151 821 A 72 GLU H A 66 VAL HGx% 1.0 . 5.59 1152 821 A 66 VAL HGy% A 72 GLU H 1.0 . 5.59 1153 822 A 66 VAL HGx% A 72 GLU HB2 1.0 . 5.12 1154 822 A 66 VAL HGy% A 72 GLU HB2 1.0 . 5.12 1155 822 A 72 GLU HB3 A 66 VAL HGx% 1.0 . 5.12 1156 822 A 66 VAL HGy% A 72 GLU HB3 1.0 . 5.12 1157 823 A 67 ARG H A 68 VAL H 1.0 . 3.15 1158 824 A 67 ARG H A 68 VAL HA 1.0 . 5.74 1159 825 A 67 ARG H A 68 VAL HB 1.0 . 5.59 1160 826 A 67 ARG H A 68 VAL HG11 1.0 . 4.81 1161 827 A 68 VAL H A 69 SER H 1.0 . 3.25 1162 828 A 69 SER HA A 68 VAL H 1.0 . 5.01 1163 829 A 68 VAL HA A 71 ASP H 1.0 . 3.83 1164 830 A 68 VAL HA A 71 ASP HB2 1.0 . 4.35 1165 830 A 68 VAL HA A 71 ASP HB3 1.0 . 4.35 1166 831 A 72 GLU H A 68 VAL HA 1.0 . 4.54 1167 832 A 68 VAL HA A 73 LYS H 1.0 . 5.37 1168 833 A 69 SER H A 68 VAL HB 1.0 . 4.87 1169 834 A 68 VAL HB A 71 ASP H 1.0 . 5.75 1170 835 A 73 LYS H A 68 VAL HG11 1.0 . 3.87 1171 835 A 73 LYS H A 68 VAL HGy% 1.0 . 3.87 1172 836 A 73 LYS HA A 68 VAL HG11 1.0 . 5.49 1173 836 A 73 LYS HA A 68 VAL HGy% 1.0 . 5.49 1174 837 A 74 ASP H A 68 VAL HG11 1.0 . 4.76 1175 837 A 74 ASP H A 68 VAL HGy% 1.0 . 4.76 1176 838 A 69 SER H A 70 THR H 1.0 . 3.07 1177 839 A 69 SER H A 70 THR HA 1.0 . 5.63 1178 840 A 69 SER H A 73 LYS H 1.0 . 4.48 1179 841 A 73 LYS HA A 69 SER H 1.0 . 4.90 1180 842 A 69 SER HA A 70 THR H 1.0 . 3.87 1181 843 A 69 SER HA A 70 THR HA 1.0 . 5.09 1182 844 A 69 SER HA A 71 ASP H 1.0 . 3.91 1183 845 A 74 ASP H A 69 SER HA 1.0 . 3.72 1184 846 A 75 PHE H A 69 SER HA 1.0 . 4.89 1185 847 A 70 THR H A 69 SER HB2 1.0 . 4.03 1186 847 A 69 SER HB3 A 70 THR H 1.0 . 4.03 1187 848 A 71 ASP H A 69 SER HB2 1.0 . 5.50 1188 848 A 69 SER HB3 A 71 ASP H 1.0 . 5.50 1189 849 A 76 LEU HD21 A 69 SER HB2 1.0 . 5.61 1190 849 A 76 LEU HD21 A 69 SER HB3 1.0 . 5.61 1191 850 A 71 ASP H A 70 THR H 1.0 . 3.03 1192 851 A 70 THR H A 71 ASP HA 1.0 . 5.60 1193 852 A 73 LYS HA A 70 THR H 1.0 . 5.31 1194 853 A 71 ASP H A 70 THR HA 1.0 . 3.65 1195 854 A 70 THR HA A 71 ASP HA 1.0 . 4.87 1196 855 A 72 GLU H A 70 THR HA 1.0 . 5.08 1197 856 A 73 LYS H A 70 THR HA 1.0 . 5.36 1198 857 A 70 THR HA A 73 LYS HB2 1.0 . 5.42 1199 857 A 73 LYS HB3 A 70 THR HA 1.0 . 5.42 1200 858 A 70 THR HA A 73 LYS HDx 1.0 . 5.32 1201 858 A 70 THR HA A 73 LYS HDy 1.0 . 5.32 1202 859 A 71 ASP H A 70 THR HB 1.0 . 4.56 1203 860 A 71 ASP HA A 70 THR HB 1.0 . 5.08 1204 861 A 72 GLU H A 71 ASP H 1.0 . 2.45 1205 862 A 71 ASP H A 72 GLU HA 1.0 . 5.09 1206 863 A 71 ASP H A 73 LYS H 1.0 . 3.66 1207 864 A 73 LYS HA A 71 ASP H 1.0 . 5.29 1208 865 A 72 GLU H A 71 ASP HA 1.0 . 3.84 1209 866 A 71 ASP HA A 72 GLU HA 1.0 . 4.84 1210 867 A 71 ASP HA A 72 GLU HGx 1.0 . 5.34 1211 867 A 71 ASP HA A 72 GLU HGy 1.0 . 5.34 1212 868 A 73 LYS H A 71 ASP HA 1.0 . 5.60 1213 869 A 72 GLU H A 71 ASP HB2 1.0 . 3.19 1214 869 A 72 GLU H A 71 ASP HB3 1.0 . 3.19 1215 870 A 72 GLU H A 73 LYS H 1.0 . 2.26 1216 871 A 73 LYS HA A 72 GLU H 1.0 . 4.47 1217 872 A 72 GLU H A 73 LYS HB2 1.0 . 4.93 1218 872 A 73 LYS HB3 A 72 GLU H 1.0 . 4.93 1219 873 A 74 ASP H A 72 GLU H 1.0 . 5.15 1220 874 A 73 LYS H A 72 GLU HA 1.0 . 3.84 1221 875 A 73 LYS HA A 72 GLU HA 1.0 . 5.64 1222 876 A 72 GLU HA A 73 LYS HB2 1.0 . 4.73 1223 876 A 73 LYS HB3 A 72 GLU HA 1.0 . 4.73 1224 877 A 74 ASP H A 72 GLU HA 1.0 . 5.63 1225 878 A 72 GLU HB3 A 73 LYS HB2 1.0 . 5.43 1226 878 A 72 GLU HB2 A 73 LYS HB2 1.0 . 5.43 1227 878 A 73 LYS HB3 A 72 GLU HB2 1.0 . 5.43 1228 878 A 73 LYS HB3 A 72 GLU HB3 1.0 . 5.43 1229 879 A 74 ASP H A 72 GLU HB2 1.0 . 3.81 1230 879 A 74 ASP H A 72 GLU HB3 1.0 . 3.81 1231 880 A 74 ASP HA A 72 GLU HB2 1.0 . 5.39 1232 880 A 74 ASP HA A 72 GLU HB3 1.0 . 5.39 1233 881 A 74 ASP H A 73 LYS H 1.0 . 3.38 1234 882 A 74 ASP HA A 73 LYS H 1.0 . 5.75 1235 883 A 75 PHE H A 73 LYS HA 1.0 . 4.26 1236 884 A 74 ASP H A 73 LYS HB2 1.0 . 4.75 1237 884 A 74 ASP H A 73 LYS HB3 1.0 . 4.75 1238 885 A 74 ASP HA A 73 LYS HB2 1.0 . 5.23 1239 885 A 74 ASP HA A 73 LYS HB3 1.0 . 5.23 1240 886 A 75 PHE H A 74 ASP H 1.0 . 2.15 1241 887 A 75 PHE HA A 74 ASP H 1.0 . 4.87 1242 888 A 75 PHE H A 74 ASP HA 1.0 . 3.82 1243 889 A 75 PHE HA A 74 ASP HA 1.0 . 4.91 1244 890 A 76 LEU H A 75 PHE H 1.0 . 4.75 1245 891 A 76 LEU HA A 75 PHE H 1.0 . 5.42 1246 892 A 76 LEU HD21 A 75 PHE H 1.0 . 5.76 1247 893 A 76 LEU H A 75 PHE HA 1.0 . 2.45 1248 894 A 76 LEU HA A 75 PHE HA 1.0 . 4.69 1249 895 A 75 PHE HA A 76 LEU HB2 1.0 . 5.31 1250 895 A 76 LEU HB3 A 75 PHE HA 1.0 . 5.31 1251 896 A 76 LEU H A 75 PHE HB2 1.0 . 3.65 1252 896 A 75 PHE HB3 A 76 LEU H 1.0 . 3.65 1253 897 A 76 LEU HA A 75 PHE HB2 1.0 . 5.20 1254 897 A 75 PHE HB3 A 76 LEU HA 1.0 . 5.20 1255 898 A 77 TYR H A 75 PHE HB2 1.0 . 5.53 1256 898 A 77 TYR H A 75 PHE HB3 1.0 . 5.53 1257 899 A 75 PHE HB2 A 77 TYR HDx 1.0 . 3.95 1258 899 A 75 PHE HB3 A 77 TYR HDy 1.0 . 3.95 1259 899 A 77 TYR HDy A 75 PHE HB2 1.0 . 3.95 1260 899 A 75 PHE HB3 A 77 TYR HDx 1.0 . 3.95 1261 900 A 75 PHE HD% A 77 TYR HDy 1.0 . 5.77 1262 901 A 77 TYR H A 76 LEU H 1.0 . 4.55 1263 902 A 77 TYR HA A 76 LEU H 1.0 . 5.25 1264 903 A 77 TYR H A 76 LEU HA 1.0 . 2.45 1265 904 A 77 TYR HA A 76 LEU HA 1.0 . 4.71 1266 905 A 76 LEU HA A 77 TYR HDx 1.0 . 4.22 1267 905 A 76 LEU HA A 77 TYR HDy 1.0 . 4.22 1268 906 A 77 TYR H A 76 LEU HB2 1.0 . 4.40 1269 906 A 76 LEU HB3 A 77 TYR H 1.0 . 4.40 1270 907 A 77 TYR HA A 76 LEU HB2 1.0 . 5.13 1271 907 A 77 TYR HA A 76 LEU HB3 1.0 . 5.13 1272 908 A 77 TYR H A 76 LEU HG 1.0 . 5.41 1273 909 A 76 LEU HG A 78 GLU HGx 1.0 . 4.69 1274 909 A 78 GLU HGy A 76 LEU HG 1.0 . 4.69 1275 910 A 76 LEU HDx% A 77 TYR H 1.0 . 4.97 1276 911 A 78 GLU H A 76 LEU HDx% 1.0 . 5.56 1277 912 A 76 LEU HDx% A 77 TYR H 1.0 . 4.04 1278 913 A 78 GLU HA A 76 LEU HDx% 1.0 . 5.16 1279 914 A 76 LEU HDx% A 78 GLU HGx 1.0 . 4.54 1280 914 A 76 LEU HDx% A 78 GLU HGy 1.0 . 4.54 1281 915 A 78 GLU H A 77 TYR H 1.0 . 4.65 1282 916 A 78 GLU HA A 77 TYR H 1.0 . 5.62 1283 917 A 77 TYR HA A 78 GLU H 1.0 . 2.46 1284 918 A 77 TYR HA A 78 GLU HA 1.0 . 4.70 1285 919 A 79 LEU HG A 77 TYR HB2 1.0 . 4.45 1286 919 A 79 LEU HG A 77 TYR HB3 1.0 . 4.45 1287 920 A 78 GLU H A 77 TYR HDx 1.0 . 5.64 1288 920 A 78 GLU H A 77 TYR HDy 1.0 . 5.64 1289 921 A 79 LEU HG A 77 TYR HDx 1.0 . 4.99 1290 921 A 79 LEU HG A 77 TYR HDy 1.0 . 4.99 1291 922 A 78 GLU H A 79 LEU H 1.0 . 4.54 1292 923 A 79 LEU HA A 78 GLU H 1.0 . 5.16 1293 924 A 78 GLU H A 79 LEU HG 1.0 . 5.38 1294 925 A 78 GLU HA A 79 LEU H 1.0 . 2.44 1295 926 A 79 LEU HA A 78 GLU HA 1.0 . 4.70 1296 927 A 78 GLU HA A 79 LEU HG 1.0 . 4.62 1297 928 A 78 GLU HA A 79 LEU HDx% 1.0 . 5.80 1298 929 A 78 GLU HA A 79 LEU HDx% 1.0 . 5.78 1299 930 A 78 GLU HA A 80 HIS HD2 1.0 . 4.83 1300 931 A 79 LEU H A 78 GLU HB2 1.0 . 4.01 1301 931 A 78 GLU HB3 A 79 LEU H 1.0 . 4.01 1302 932 A 79 LEU HA A 78 GLU HB2 1.0 . 5.00 1303 932 A 79 LEU HA A 78 GLU HB3 1.0 . 5.00 1304 933 A 80 HIS H A 79 LEU H 1.0 . 4.64 1305 934 A 80 HIS HA A 79 LEU H 1.0 . 5.50 1306 935 A 80 HIS H A 79 LEU HA 1.0 . 2.45 1307 936 A 79 LEU HA A 80 HIS HA 1.0 . 4.71 1308 937 A 80 HIS H A 79 LEU HB3 1.0 . 3.98 1309 937 A 80 HIS H A 79 LEU HB2 1.0 . 3.98 1310 938 A 80 HIS HA A 79 LEU HB3 1.0 . 5.08 1311 938 A 80 HIS HA A 79 LEU HB2 1.0 . 5.08 1312 939 A 80 HIS HD2 A 79 LEU HB3 1.0 . 5.79 1313 939 A 79 LEU HB2 A 80 HIS HD2 1.0 . 5.79 1314 940 A 79 LEU HB2 A 82 ILE HG1x 1.0 . 5.04 1315 940 A 79 LEU HB3 A 82 ILE HG1x 1.0 . 5.04 1316 940 A 82 ILE HG1y A 79 LEU HB3 1.0 . 5.04 1317 940 A 79 LEU HB2 A 82 ILE HG1y 1.0 . 5.04 1318 941 A 82 ILE HD11 A 79 LEU HB3 1.0 . 5.46 1319 941 A 79 LEU HB2 A 82 ILE HD11 1.0 . 5.46 1320 942 A 82 ILE HD11 A 79 LEU HB3 1.0 . 4.88 1321 942 A 79 LEU HB2 A 82 ILE HD11 1.0 . 4.88 1322 943 A 80 HIS H A 79 LEU HG 1.0 . 5.12 1323 944 A 79 LEU HDx% A 82 ILE HB 1.0 . 4.95 1324 945 A 79 LEU HDx% A 82 ILE HG1x 1.0 . 5.52 1325 945 A 79 LEU HDx% A 82 ILE HG1y 1.0 . 5.52 1326 946 A 79 LEU HDx% A 82 ILE HD11 1.0 . 4.02 1327 947 A 81 ILE H A 80 HIS H 1.0 . 4.73 1328 948 A 81 ILE HG2% A 80 HIS H 1.0 . 5.27 1329 949 A 81 ILE HG2% A 80 HIS H 1.0 . 5.57 1330 950 A 80 HIS H A 82 ILE HA 1.0 . 5.66 1331 951 A 81 ILE H A 80 HIS HA 1.0 . 2.44 1332 952 A 81 ILE H A 82 ILE H 1.0 . 3.80 1333 953 A 81 ILE H A 82 ILE HA 1.0 . 5.61 1334 954 A 81 ILE HA A 82 ILE H 1.0 . 2.61 1335 955 A 81 ILE HA A 82 ILE HA 1.0 . 4.84 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _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 4 LYS C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -144.9967 -110.1245 PHI 2 2 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 VAL N 1.0 126.1207 179.1612 PSI 3 3 A 5 LEU C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -135.8507 -81.3827 PHI 4 4 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 LEU N 1.0 106.7386 135.5937 PSI 5 5 A 6 VAL C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -110.0710 -60.3826 PHI 6 6 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 ALA N 1.0 105.1568 149.1482 PSI 7 7 A 7 LEU C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -73.6155 -21.1836 PHI 8 8 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 LYS N 1.0 138.2357 189.4826 PSI 9 9 A 18 SER C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -101.5699 -62.1863 PHI 10 10 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 GLU N 1.0 -50.7106 -1.8462 PSI 11 11 A 19 VAL C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -73.7422 -29.1862 PHI 12 12 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 LEU N 1.0 -65.5124 -21.2893 PSI 13 13 A 20 GLU C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -81.5401 -37.4836 PHI 14 14 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 GLU N 1.0 -56.1863 -7.3916 PSI 15 15 A 21 LEU C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -81.4169 -57.3826 PHI 16 16 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 ASP N 1.0 -56.3565 -28.1297 PSI 17 17 A 22 GLU C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -79.0413 -35.3812 PHI 18 18 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 LEU N 1.0 -49.1208 -2.3826 PSI 19 19 A 23 ASP C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -78.2547 -32.3916 PHI 20 20 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 TYR N 1.0 -80.8721 -36.1826 PSI 21 21 A 24 LEU C A 25 TYR N A 25 TYR CA A 25 TYR C 1.0 -82.7142 -58.9962 PHI 22 22 A 25 TYR N A 25 TYR CA A 25 TYR C A 26 HIS N 1.0 -56.9983 -12.1826 PSI 23 23 A 25 TYR C A 26 HIS N A 26 HIS CA A 26 HIS C 1.0 -82.4623 -38.5893 PHI 24 24 A 26 HIS N A 26 HIS CA A 26 HIS C A 27 GLU N 1.0 -62.7325 -38.2763 PSI 25 25 A 26 HIS C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -77.6807 -28.4972 PHI 26 26 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 PHE N 1.0 -64.6283 -20.1826 PSI 27 27 A 27 GLU C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -86.9085 -41.4826 PHI 28 28 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 SER N 1.0 -56.4109 -10.4826 PSI 29 29 A 28 PHE C A 29 SER N A 29 SER CA A 29 SER C 1.0 -104.6649 -60.3816 PHI 30 30 A 29 SER N A 29 SER CA A 29 SER C A 30 GLU N 1.0 -36.9952 7.2611 PSI 31 31 A 29 SER C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -87.0696 -53.3826 PHI 32 32 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 ASP N 1.0 -55.1584 -11.4937 PSI 33 33 A 32 LYS C A 33 ARG N A 33 ARG CA A 33 ARG C 1.0 152.5564 196.1736 PHI 34 34 A 33 ARG N A 33 ARG CA A 33 ARG C A 34 SER N 1.0 -191.7437 -147.3846 PSI 35 35 A 33 ARG C A 34 SER N A 34 SER CA A 34 SER C 1.0 -142.6522 -98.3826 PHI 36 36 A 34 SER N A 34 SER CA A 34 SER C A 35 ILE N 1.0 133.0401 177.7356 PSI 37 37 A 34 SER C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -144.4191 -100.3726 PHI 38 38 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 PHE N 1.0 129.8185 173.2387 PSI 39 39 A 35 ILE C A 36 PHE N A 36 PHE CA A 36 PHE C 1.0 -135.6101 -91.2836 PHI 40 40 A 36 PHE N A 36 PHE CA A 36 PHE C A 37 TYR N 1.0 92.4846 136.3862 PSI 41 41 A 36 PHE C A 37 TYR N A 37 TYR CA A 37 TYR C 1.0 -130.6732 -66.1265 PHI 42 42 A 37 TYR N A 37 TYR CA A 37 TYR C A 38 PHE N 1.0 111.6486 155.3826 PSI 43 43 A 37 TYR C A 38 PHE N A 38 PHE CA A 38 PHE C 1.0 -139.5129 -85.8873 PHI 44 44 A 38 PHE N A 38 PHE CA A 38 PHE C A 39 ALA N 1.0 97.8761 151.2386 PSI 45 45 A 38 PHE C A 39 ALA N A 39 ALA CA A 39 ALA C 1.0 -153.4371 -99.4371 PHI 46 46 A 39 ALA N A 39 ALA CA A 39 ALA C A 40 PRO N 1.0 138.4422 182.4422 PSI 47 47 A 48 LEU C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -100.6684 -56.3726 PHI 48 48 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 ALA N 1.0 -47.8276 -3.4736 PSI 49 49 A 49 LYS C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -83.2228 -39.1276 PHI 50 50 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 VAL N 1.0 -64.3089 -40.4837 PSI 51 51 A 50 ALA C A 51 VAL N A 51 VAL CA A 51 VAL C 1.0 -77.1375 -33.3826 PHI 52 52 A 51 VAL N A 51 VAL CA A 51 VAL C A 52 ASP N 1.0 -57.3111 -13.4863 PSI 53 53 A 51 VAL C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -95.7883 -51.2837 PHI 54 54 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 PHE N 1.0 -49.0392 -5.9382 PSI 55 55 A 52 ASP C A 53 PHE N A 53 PHE CA A 53 PHE C 1.0 -96.9283 -52.3827 PHI 56 56 A 53 PHE N A 53 PHE CA A 53 PHE C A 54 PHE N 1.0 -66.9926 -22.9273 PSI 57 57 A 53 PHE C A 54 PHE N A 54 PHE CA A 54 PHE C 1.0 -77.8283 -33.3725 PHI 58 58 A 54 PHE N A 54 PHE CA A 54 PHE C A 55 LYS N 1.0 -61.7102 -17.7372 PSI 59 59 A 54 PHE C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -97.3503 -53.1262 PHI 60 60 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 GLU N 1.0 -46.0915 -2.0911 PSI 61 61 A 55 LYS C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -93.8527 -49.2765 PHI 62 62 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 LYS N 1.0 -47.2552 -3.1827 PSI 63 63 A 56 GLU C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -140.0090 -96.0232 PHI 64 64 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 GLY N 1.0 137.6846 181.1286 PSI 65 65 A 60 THR C A 61 ALA N A 61 ALA CA A 61 ALA C 1.0 -100.5956 -51.2716 PHI 66 66 A 61 ALA N A 61 ALA CA A 61 ALA C A 62 TYR N 1.0 -83.4961 -29.3827 PSI 67 67 A 61 ALA C A 62 TYR N A 62 TYR CA A 62 TYR C 1.0 -157.9452 -113.0938 PHI 68 68 A 62 TYR N A 62 TYR CA A 62 TYR C A 63 LEU N 1.0 134.1747 178.2833 PSI 69 69 A 62 TYR C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -161.4796 -117.1828 PHI 70 70 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 ASP N 1.0 123.8964 167.1827 PSI 71 71 A 63 LEU C A 64 ASP N A 64 ASP CA A 64 ASP C 1.0 -150.0303 -121.2837 PHI 72 72 A 64 ASP N A 64 ASP CA A 64 ASP C A 65 GLU N 1.0 113.4872 167.3827 PSI 73 73 A 64 ASP C A 65 GLU N A 65 GLU CA A 65 GLU C 1.0 -139.6848 -69.2383 PHI 74 74 A 65 GLU N A 65 GLU CA A 65 GLU C A 66 VAL N 1.0 134.3724 178.3948 PSI 75 75 A 65 GLU C A 66 VAL N A 66 VAL CA A 66 VAL C 1.0 -133.5086 -81.3872 PHI 76 76 A 66 VAL N A 66 VAL CA A 66 VAL C A 67 ARG N 1.0 129.1123 178.2763 PSI 77 77 A 67 ARG C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -116.5850 -72.5850 PHI 78 78 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 SER N 1.0 -35.1263 29.1263 PSI 79 79 A 68 VAL C A 69 SER N A 69 SER CA A 69 SER C 1.0 -98.6887 -54.8372 PHI 80 80 A 69 SER N A 69 SER CA A 69 SER C A 70 THR N 1.0 -54.7935 -10.3827 PSI 81 81 A 69 SER C A 70 THR N A 70 THR CA A 70 THR C 1.0 -101.4256 -51.1287 PHI 82 82 A 70 THR N A 70 THR CA A 70 THR C A 71 ASP N 1.0 -23.6853 30.3147 PSI 83 83 A 70 THR C A 71 ASP N A 71 ASP CA A 71 ASP C 1.0 -102.2230 -58.1287 PHI 84 84 A 71 ASP N A 71 ASP CA A 71 ASP C A 72 GLU N 1.0 -60.4193 -16.7632 PSI 85 85 A 71 ASP C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -122.1285 -62.3278 PHI 86 86 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 LYS N 1.0 -80.0134 -31.8367 PSI 87 87 A 74 ASP C A 75 PHE N A 75 PHE CA A 75 PHE C 1.0 -131.6165 -87.6212 PHI 88 88 A 75 PHE N A 75 PHE CA A 75 PHE C A 76 LEU N 1.0 119.5579 167.3743 PSI 89 89 A 75 PHE C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -139.6293 -91.2837 PHI 90 90 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 TYR N 1.0 96.7422 145.2871 PSI 91 91 A 76 LEU C A 77 TYR N A 77 TYR CA A 77 TYR C 1.0 -103.1020 -51.2837 PHI 92 92 A 77 TYR N A 77 TYR CA A 77 TYR C A 78 GLU N 1.0 98.9504 150.3928 PSI 93 93 A 77 TYR C A 78 GLU N A 78 GLU CA A 78 GLU C 1.0 -149.3340 -100.1230 PHI 94 94 A 78 GLU N A 78 GLU CA A 78 GLU C A 79 LEU N 1.0 122.7161 166.3922 PSI 95 95 A 78 GLU C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -131.7019 -81.7321 PHI 96 96 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 HIS N 1.0 128.5566 159.5732 PSI 97 97 A 79 LEU C A 80 HIS N A 80 HIS CA A 80 HIS C 1.0 -107.4089 -61.9721 PHI 98 98 A 80 HIS N A 80 HIS CA A 80 HIS C A 81 ILE N 1.0 102.7611 150.8327 PSI stop_ save_