data_nef_c19562_2mfq 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 2MFQ stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 2 19 GLN C 2 20 PTR N 2 20 PTR C 2 21 PHE N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 8 SER start . . 2 A 9 HIS middle . . 3 A 10 MET middle . . 4 A 11 ASP middle . . 5 A 12 THR middle . . 6 A 13 VAL middle . . 7 A 14 PRO middle . false 8 A 15 ASP middle . . 9 A 16 ASN middle . . 10 A 17 HIS middle . . 11 A 18 ARG middle . . 12 A 19 ASN middle . . 13 A 20 LYS middle . . 14 A 21 PHE middle . . 15 A 22 LYS middle . . 16 A 23 VAL middle . . 17 A 24 ILE middle . . 18 A 25 ASN middle . . 19 A 26 VAL middle . . 20 A 27 ASP middle . . 21 A 28 ASP middle . . 22 A 29 ASP middle . . 23 A 30 GLY middle . false 24 A 31 ASN middle . . 25 A 32 GLU middle . . 26 A 33 LEU middle . . 27 A 34 GLY middle . false 28 A 35 SER middle . . 29 A 36 GLY middle . false 30 A 37 ILE middle . . 31 A 38 MET middle . . 32 A 39 GLU middle . . 33 A 40 LEU middle . . 34 A 41 THR middle . . 35 A 42 ASP middle . . 36 A 43 THR middle . . 37 A 44 GLU middle . . 38 A 45 LEU middle . . 39 A 46 ILE middle . . 40 A 47 LEU middle . . 41 A 48 TYR middle . . 42 A 49 THR middle . . 43 A 50 ARG middle . . 44 A 51 LYS middle . . 45 A 52 ARG middle . . 46 A 53 ASP middle . . 47 A 54 SER middle . . 48 A 55 VAL middle . . 49 A 56 LYS middle . . 50 A 57 TRP middle . . 51 A 58 HIS middle . . 52 A 59 TYR middle . . 53 A 60 LEU middle . . 54 A 61 CYS middle . . 55 A 62 LEU middle . . 56 A 63 ARG middle . . 57 A 64 ARG middle . . 58 A 65 TYR middle . . 59 A 66 GLY middle . false 60 A 67 TYR middle . . 61 A 68 ASP middle . . 62 A 69 SER middle . . 63 A 70 ASN middle . . 64 A 71 LEU middle . . 65 A 72 PHE middle . . 66 A 73 SER middle . . 67 A 74 PHE middle . . 68 A 75 GLU middle . . 69 A 76 SER middle . . 70 A 77 GLY middle . false 71 A 78 ARG middle . . 72 A 79 ARG middle . . 73 A 80 CYS middle . . 74 A 81 GLN middle . . 75 A 82 THR middle . . 76 A 83 GLY middle . false 77 A 84 GLN middle . . 78 A 85 GLY middle . false 79 A 86 ILE middle . . 80 A 87 PHE middle . . 81 A 88 ALA middle . . 82 A 89 PHE middle . . 83 A 90 LYS middle . . 84 A 91 CYS middle . . 85 A 92 ALA middle . . 86 A 93 ARG middle . . 87 A 94 ALA middle . . 88 A 95 GLU middle . . 89 A 96 GLU middle . . 90 A 97 LEU middle . . 91 A 98 PHE middle . . 92 A 99 ASN middle . . 93 A 100 MET middle . . 94 A 101 LEU middle . . 95 A 102 GLN middle . . 96 A 103 GLU middle . . 97 A 104 ILE middle . . 98 A 105 MET middle . . 99 A 106 GLN middle . . 100 A 107 ASN middle . . 101 A 108 ASN middle . . 102 A 109 SER middle . . 103 A 110 ILE middle . . 104 A 111 ASN middle . . 105 A 112 VAL middle . . 106 A 113 VAL middle . . 107 A 114 GLU middle . . 108 A 115 GLU middle . . 109 A 116 PRO middle . false 110 A 117 VAL middle . . 111 A 118 VAL middle . . 112 A 119 GLU middle . . 113 A 120 ARG middle . . 114 A 121 ASN middle . . 115 A 122 ASN end . . 116 B 493 GLY start . false 117 B 494 PRO middle . false 118 B 495 ASP middle . . 119 B 496 ALA middle . . 120 B 497 VAL middle . . 121 B 498 ILE middle . . 122 B 499 ILE middle . . 123 B 500 GLY middle . false 124 B 501 MET middle . . 125 B 502 THR middle . . 126 B 503 LYS middle . . 127 B 504 ILE middle . . 128 B 505 PRO middle . false 129 B 506 VAL middle . . 130 B 507 ILE middle . . 131 B 508 GLU middle . . 132 B 509 ASN middle . . 133 B 510 PRO middle . false 134 B 511 GLN middle . . 135 B 512 PTR middle . . 136 B 513 PHE middle . . 137 B 514 GLY middle . false 138 B 515 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 8 SER HA H 1 4.5110 0.04 A 8 SER HBy H 1 3.8650 0.04 A 8 SER CA C 13 58.2000 0.4 A 8 SER CB C 13 63.3950 0.4 A 9 HIS HA H 1 4.6190 0.04 A 9 HIS HBx H 1 3.1340 0.04 A 9 HIS HBy H 1 3.1500 0.04 A 9 HIS HD2 H 1 7.0950 0.04 A 9 HIS CA C 13 56.1480 0.4 A 9 HIS CB C 13 29.6090 0.4 A 9 HIS CD2 C 13 119.8000 0.4 A 10 MET H H 1 8.2740 0.04 A 10 MET HA H 1 4.3950 0.04 A 10 MET HBx H 1 1.9010 0.04 A 10 MET HBy H 1 2.0390 0.04 A 10 MET HGx H 1 2.3700 0.04 A 10 MET HGy H 1 2.4720 0.04 A 10 MET CA C 13 55.1530 0.4 A 10 MET CB C 13 32.2930 0.4 A 10 MET CG C 13 31.4890 0.4 A 10 MET N N 15 120.9640 0.4 A 11 ASP H H 1 8.2810 0.04 A 11 ASP HA H 1 4.7460 0.04 A 11 ASP HBx H 1 2.6450 0.04 A 11 ASP HBy H 1 2.7010 0.04 A 11 ASP CA C 13 54.2000 0.4 A 11 ASP CB C 13 40.2000 0.4 A 11 ASP N N 15 120.9890 0.4 A 12 THR H H 1 7.9790 0.04 A 12 THR HA H 1 4.3120 0.04 A 12 THR HB H 1 4.1860 0.04 A 12 THR HG2% H 1 1.1640 0.04 A 12 THR CA C 13 61.2180 0.4 A 12 THR CB C 13 69.3160 0.4 A 12 THR CG2 C 13 21.1100 0.4 A 12 THR N N 15 113.2440 0.4 A 13 VAL H H 1 8.0210 0.04 A 13 VAL HA H 1 4.4040 0.04 A 13 VAL HB H 1 2.0250 0.04 A 13 VAL HGx% H 1 0.8600 0.04 A 13 VAL HGy% H 1 0.8880 0.04 A 13 VAL CA C 13 59.2340 0.4 A 13 VAL CB C 13 32.2990 0.4 A 13 VAL CG1 C 13 20.5000 0.4 A 13 VAL CGy C 13 20.5600 0.4 A 13 VAL CGx C 13 20.5000 0.4 A 13 VAL N N 15 123.5790 0.4 A 14 PRO HA H 1 4.4270 0.04 A 14 PRO HBx H 1 1.9060 0.04 A 14 PRO HBy H 1 2.2950 0.04 A 14 PRO HDx H 1 3.6530 0.04 A 14 PRO HDy H 1 3.8970 0.04 A 14 PRO HGx H 1 1.9970 0.04 A 14 PRO CA C 13 62.9000 0.4 A 14 PRO CB C 13 31.7900 0.4 A 14 PRO CD C 13 50.5620 0.4 A 14 PRO CG C 13 26.8210 0.4 A 15 ASP H H 1 8.4710 0.04 A 15 ASP HA H 1 4.4520 0.04 A 15 ASP HBx H 1 2.5790 0.04 A 15 ASP HBy H 1 2.6750 0.04 A 15 ASP CA C 13 54.4210 0.4 A 15 ASP CB C 13 40.5580 0.4 A 15 ASP N N 15 120.5560 0.4 A 16 ASN H H 1 8.1110 0.04 A 16 ASN HA H 1 4.6040 0.04 A 16 ASN HBx H 1 2.7270 0.04 A 16 ASN HBy H 1 2.8070 0.04 A 16 ASN HD2y H 1 7.5450 0.04 A 16 ASN HD2x H 1 6.7890 0.04 A 16 ASN CA C 13 52.2820 0.4 A 16 ASN CB C 13 37.7310 0.4 A 16 ASN N N 15 116.9910 0.4 A 16 ASN ND2 N 15 111.7570 0.4 A 17 HIS H H 1 8.0140 0.04 A 17 HIS HA H 1 4.4120 0.04 A 17 HIS HBx H 1 3.0200 0.04 A 17 HIS HBy H 1 3.2070 0.04 A 17 HIS HD2 H 1 7.0630 0.04 A 17 HIS CA C 13 56.4360 0.4 A 17 HIS CB C 13 30.0090 0.4 A 17 HIS CD2 C 13 119.1330 0.4 A 17 HIS N N 15 119.3350 0.4 A 18 ARG H H 1 8.2090 0.04 A 18 ARG HA H 1 3.9830 0.04 A 18 ARG HBy H 1 1.7430 0.04 A 18 ARG HDy H 1 3.1690 0.04 A 18 ARG HGx H 1 1.5190 0.04 A 18 ARG HGy H 1 1.5830 0.04 A 18 ARG CA C 13 57.4190 0.4 A 18 ARG CB C 13 29.7810 0.4 A 18 ARG CD C 13 42.7600 0.4 A 18 ARG CG C 13 26.8170 0.4 A 18 ARG N N 15 122.2690 0.4 A 19 ASN H H 1 8.5650 0.04 A 19 ASN HA H 1 4.7150 0.04 A 19 ASN HBx H 1 2.7260 0.04 A 19 ASN HBy H 1 3.3490 0.04 A 19 ASN CA C 13 52.7230 0.4 A 19 ASN CB C 13 38.0340 0.4 A 19 ASN N N 15 114.4950 0.4 A 20 LYS H H 1 7.0400 0.04 A 20 LYS HA H 1 5.2570 0.04 A 20 LYS HBy H 1 1.3450 0.04 A 20 LYS HDx H 1 1.2720 0.04 A 20 LYS HDy H 1 1.4110 0.04 A 20 LYS HEy H 1 2.7050 0.04 A 20 LYS HGx H 1 1.0390 0.04 A 20 LYS HGy H 1 1.3070 0.04 A 20 LYS CA C 13 54.7360 0.4 A 20 LYS CB C 13 35.0150 0.4 A 20 LYS CD C 13 29.0610 0.4 A 20 LYS CE C 13 41.2860 0.4 A 20 LYS CG C 13 25.5860 0.4 A 20 LYS N N 15 117.9320 0.4 A 21 PHE H H 1 9.3890 0.04 A 21 PHE HA H 1 4.5090 0.04 A 21 PHE HBx H 1 2.6690 0.04 A 21 PHE HBy H 1 2.6950 0.04 A 21 PHE HDy H 1 6.9540 0.04 A 21 PHE HEy H 1 7.0620 0.04 A 21 PHE HZ H 1 7.1120 0.04 A 21 PHE CA C 13 55.9210 0.4 A 21 PHE CB C 13 42.1980 0.4 A 21 PHE CDy C 13 132.4110 0.4 A 21 PHE CEy C 13 131.1720 0.4 A 21 PHE N N 15 120.6200 0.4 A 22 LYS H H 1 9.2580 0.04 A 22 LYS HA H 1 4.7370 0.04 A 22 LYS HBx H 1 1.8830 0.04 A 22 LYS HBy H 1 2.0300 0.04 A 22 LYS HDy H 1 1.7930 0.04 A 22 LYS HDx H 1 1.7850 0.04 A 22 LYS HEy H 1 2.9980 0.04 A 22 LYS HGx H 1 1.4590 0.04 A 22 LYS HGy H 1 1.6150 0.04 A 22 LYS CA C 13 56.9720 0.4 A 22 LYS CB C 13 31.3060 0.4 A 22 LYS CD C 13 28.7980 0.4 A 22 LYS CE C 13 41.5830 0.4 A 22 LYS CG C 13 25.0600 0.4 A 22 LYS N N 15 125.6370 0.4 A 23 VAL H H 1 8.6720 0.04 A 23 VAL HA H 1 5.6270 0.04 A 23 VAL HB H 1 2.2720 0.04 A 23 VAL HGx% H 1 0.8320 0.04 A 23 VAL HGy% H 1 0.6510 0.04 A 23 VAL CA C 13 58.3850 0.4 A 23 VAL CB C 13 36.5160 0.4 A 23 VAL CGy C 13 20.8130 0.4 A 23 VAL CGx C 13 18.4490 0.4 A 23 VAL N N 15 118.2820 0.4 A 24 ILE H H 1 8.8240 0.04 A 24 ILE HA H 1 4.8130 0.04 A 24 ILE HB H 1 1.7080 0.04 A 24 ILE HD1% H 1 0.9040 0.04 A 24 ILE HG1x H 1 1.1570 0.04 A 24 ILE HG1y H 1 1.6520 0.04 A 24 ILE HG2% H 1 0.9050 0.04 A 24 ILE CA C 13 60.1610 0.4 A 24 ILE CB C 13 42.0680 0.4 A 24 ILE CD1 C 13 13.9130 0.4 A 24 ILE CG1 C 13 27.0710 0.4 A 24 ILE CG2 C 13 17.0990 0.4 A 24 ILE N N 15 120.3970 0.4 A 25 ASN H H 1 9.2320 0.04 A 25 ASN HA H 1 4.5010 0.04 A 25 ASN HBy H 1 3.0880 0.04 A 25 ASN CA C 13 54.2010 0.4 A 25 ASN CB C 13 39.5200 0.4 A 25 ASN N N 15 127.6550 0.4 A 26 VAL H H 1 7.6800 0.04 A 26 VAL HA H 1 5.5420 0.04 A 26 VAL HB H 1 1.8420 0.04 A 26 VAL HGx% H 1 0.7560 0.04 A 26 VAL HGy% H 1 0.6060 0.04 A 26 VAL CA C 13 57.7720 0.4 A 26 VAL CB C 13 35.2700 0.4 A 26 VAL CGy C 13 21.3560 0.4 A 26 VAL CGx C 13 18.2700 0.4 A 26 VAL N N 15 116.3220 0.4 A 27 ASP H H 1 7.5000 0.04 A 27 ASP HA H 1 4.0930 0.04 A 27 ASP HBy H 1 2.9290 0.04 A 27 ASP CA C 13 50.9620 0.4 A 27 ASP N N 15 117.0000 0.4 A 28 ASP H H 1 7.9220 0.04 A 28 ASP HA H 1 4.1710 0.04 A 28 ASP HBx H 1 2.6030 0.04 A 28 ASP HBy H 1 2.7300 0.04 A 28 ASP CA C 13 56.2980 0.4 A 28 ASP CB C 13 40.0840 0.4 A 28 ASP N N 15 112.5400 0.4 A 29 ASP H H 1 7.8090 0.04 A 29 ASP HA H 1 4.7450 0.04 A 29 ASP HBx H 1 2.4760 0.04 A 29 ASP HBy H 1 2.7930 0.04 A 29 ASP CA C 13 53.4510 0.4 A 29 ASP CB C 13 42.0040 0.4 A 29 ASP N N 15 115.3190 0.4 A 30 GLY H H 1 8.1960 0.04 A 30 GLY HAx H 1 3.1150 0.04 A 30 GLY HAy H 1 4.0850 0.04 A 30 GLY CA C 13 44.4890 0.4 A 30 GLY N N 15 108.8870 0.4 A 31 ASN H H 1 8.6430 0.04 A 31 ASN HA H 1 4.4830 0.04 A 31 ASN HBx H 1 2.5410 0.04 A 31 ASN HBy H 1 2.7830 0.04 A 31 ASN HD2y H 1 8.8850 0.04 A 31 ASN HD2x H 1 7.3230 0.04 A 31 ASN CA C 13 53.2010 0.4 A 31 ASN CB C 13 37.6110 0.4 A 31 ASN N N 15 119.9060 0.4 A 31 ASN ND2 N 15 120.2830 0.4 A 32 GLU H H 1 8.5250 0.04 A 32 GLU HA H 1 3.8990 0.04 A 32 GLU HBx H 1 1.9450 0.04 A 32 GLU HBy H 1 2.0320 0.04 A 32 GLU HGx H 1 1.9390 0.04 A 32 GLU HGy H 1 2.5850 0.04 A 32 GLU CA C 13 57.4610 0.4 A 32 GLU CG C 13 36.5060 0.4 A 32 GLU N N 15 119.1140 0.4 A 33 LEU H H 1 8.8170 0.04 A 33 LEU HA H 1 4.6090 0.04 A 33 LEU HBx H 1 1.5480 0.04 A 33 LEU HBy H 1 1.6190 0.04 A 33 LEU HDx% H 1 0.7000 0.04 A 33 LEU HDy% H 1 0.7380 0.04 A 33 LEU HG H 1 1.5500 0.04 A 33 LEU CA C 13 52.9250 0.4 A 33 LEU CB C 13 40.7560 0.4 A 33 LEU CDy C 13 26.6270 0.4 A 33 LEU CDx C 13 21.7620 0.4 A 33 LEU CG C 13 26.2800 0.4 A 33 LEU N N 15 126.1170 0.4 A 34 GLY H H 1 8.2280 0.04 A 34 GLY HAx H 1 4.0190 0.04 A 34 GLY HAy H 1 4.3290 0.04 A 34 GLY CA C 13 44.9890 0.4 A 34 GLY N N 15 108.9700 0.4 A 35 SER H H 1 8.7760 0.04 A 35 SER HA H 1 5.4650 0.04 A 35 SER HBx H 1 4.0910 0.04 A 35 SER HBy H 1 4.1290 0.04 A 35 SER CA C 13 57.2050 0.4 A 35 SER CB C 13 65.3930 0.4 A 35 SER N N 15 118.3880 0.4 A 36 GLY H H 1 9.0130 0.04 A 36 GLY HAx H 1 4.1440 0.04 A 36 GLY HAy H 1 4.6590 0.04 A 36 GLY CA C 13 45.4850 0.4 A 36 GLY N N 15 109.0810 0.4 A 37 ILE H H 1 8.7790 0.04 A 37 ILE HA H 1 5.1040 0.04 A 37 ILE HB H 1 1.9270 0.04 A 37 ILE HD1% H 1 0.8140 0.04 A 37 ILE HG1x H 1 1.2850 0.04 A 37 ILE HG1y H 1 1.5470 0.04 A 37 ILE HG2% H 1 0.8320 0.04 A 37 ILE CA C 13 58.1220 0.4 A 37 ILE CB C 13 40.4650 0.4 A 37 ILE CD1 C 13 11.6230 0.4 A 37 ILE CG1 C 13 26.7930 0.4 A 37 ILE CG2 C 13 16.8570 0.4 A 37 ILE N N 15 121.5600 0.4 A 38 MET H H 1 9.8270 0.04 A 38 MET HA H 1 5.7350 0.04 A 38 MET HBx H 1 1.6160 0.04 A 38 MET HBy H 1 1.9040 0.04 A 38 MET HE% H 1 1.2850 0.04 A 38 MET HGx H 1 2.0110 0.04 A 38 MET HGy H 1 2.1600 0.04 A 38 MET CA C 13 53.0080 0.4 A 38 MET CB C 13 36.4460 0.4 A 38 MET CE C 13 16.7510 0.4 A 38 MET CG C 13 32.5690 0.4 A 38 MET N N 15 128.5530 0.4 A 39 GLU H H 1 10.1600 0.04 A 39 GLU HA H 1 5.5000 0.04 A 39 GLU HBx H 1 1.8600 0.04 A 39 GLU HBy H 1 2.2820 0.04 A 39 GLU HGx H 1 1.9980 0.04 A 39 GLU HGy H 1 2.1150 0.04 A 39 GLU CA C 13 53.4550 0.4 A 39 GLU CB C 13 34.5360 0.4 A 39 GLU CG C 13 36.0210 0.4 A 39 GLU N N 15 129.3780 0.4 A 40 LEU H H 1 8.3340 0.04 A 40 LEU HA H 1 5.0780 0.04 A 40 LEU HBx H 1 1.6610 0.04 A 40 LEU HBy H 1 1.7840 0.04 A 40 LEU HDx% H 1 0.7390 0.04 A 40 LEU HDy% H 1 0.7310 0.04 A 40 LEU HG H 1 1.7820 0.04 A 40 LEU CA C 13 54.4400 0.4 A 40 LEU CB C 13 42.0130 0.4 A 40 LEU CDx C 13 24.9490 0.4 A 40 LEU CDy C 13 25.1060 0.4 A 40 LEU CG C 13 29.0610 0.4 A 40 LEU N N 15 127.1740 0.4 A 41 THR H H 1 8.6820 0.04 A 41 THR HA H 1 5.0120 0.04 A 41 THR HB H 1 4.7750 0.04 A 41 THR HG2% H 1 1.2210 0.04 A 41 THR CA C 13 59.1130 0.4 A 41 THR CB C 13 69.2950 0.4 A 41 THR CG2 C 13 21.3340 0.4 A 41 THR N N 15 115.9710 0.4 A 42 ASP H H 1 8.7940 0.04 A 42 ASP HA H 1 4.6150 0.04 A 42 ASP HBx H 1 2.7800 0.04 A 42 ASP HBy H 1 2.8260 0.04 A 42 ASP CA C 13 56.6920 0.4 A 42 ASP CB C 13 39.7910 0.4 A 42 ASP N N 15 117.4670 0.4 A 43 THR H H 1 7.7630 0.04 A 43 THR HA H 1 4.4120 0.04 A 43 THR HB H 1 4.0230 0.04 A 43 THR HG2% H 1 1.1120 0.04 A 43 THR CA C 13 61.6010 0.4 A 43 THR CB C 13 71.3620 0.4 A 43 THR CG2 C 13 21.8000 0.4 A 43 THR N N 15 104.0100 0.4 A 44 GLU H H 1 7.2630 0.04 A 44 GLU HA H 1 4.1700 0.04 A 44 GLU HBx H 1 1.4560 0.04 A 44 GLU HBy H 1 1.5070 0.04 A 44 GLU HGx H 1 1.6590 0.04 A 44 GLU HGy H 1 1.9530 0.04 A 44 GLU CA C 13 53.9400 0.4 A 44 GLU CB C 13 33.4870 0.4 A 44 GLU CG C 13 35.0470 0.4 A 44 GLU N N 15 118.9800 0.4 A 45 LEU H H 1 8.3140 0.04 A 45 LEU HA H 1 4.9720 0.04 A 45 LEU HBx H 1 1.5690 0.04 A 45 LEU HBy H 1 1.8080 0.04 A 45 LEU HDx% H 1 0.4240 0.04 A 45 LEU HDy% H 1 0.4620 0.04 A 45 LEU HG H 1 1.5240 0.04 A 45 LEU CA C 13 53.7210 0.4 A 45 LEU CB C 13 44.2380 0.4 A 45 LEU CDy C 13 25.0570 0.4 A 45 LEU CDx C 13 24.5930 0.4 A 45 LEU CG C 13 27.0060 0.4 A 45 LEU N N 15 122.1380 0.4 A 46 ILE H H 1 9.1540 0.04 A 46 ILE HA H 1 4.7240 0.04 A 46 ILE HB H 1 1.6340 0.04 A 46 ILE HD1% H 1 0.7660 0.04 A 46 ILE HG1x H 1 0.5780 0.04 A 46 ILE HG1y H 1 1.4990 0.04 A 46 ILE HG2% H 1 0.1790 0.04 A 46 ILE CA C 13 60.3100 0.4 A 46 ILE CB C 13 40.4900 0.4 A 46 ILE CD1 C 13 13.6720 0.4 A 46 ILE CG1 C 13 26.8300 0.4 A 46 ILE CG2 C 13 16.4240 0.4 A 46 ILE N N 15 124.2440 0.4 A 47 LEU H H 1 9.3780 0.04 A 47 LEU HA H 1 5.2660 0.04 A 47 LEU HBx H 1 1.3100 0.04 A 47 LEU HBy H 1 2.0910 0.04 A 47 LEU HDx% H 1 0.7630 0.04 A 47 LEU HDy% H 1 1.1230 0.04 A 47 LEU HG H 1 1.3740 0.04 A 47 LEU CA C 13 52.7060 0.4 A 47 LEU CB C 13 45.7360 0.4 A 47 LEU CDx C 13 22.6230 0.4 A 47 LEU CDy C 13 27.4930 0.4 A 47 LEU CG C 13 27.3160 0.4 A 47 LEU N N 15 127.5100 0.4 A 48 TYR H H 1 9.7240 0.04 A 48 TYR HA H 1 5.0340 0.04 A 48 TYR HBx H 1 2.9560 0.04 A 48 TYR HBy H 1 3.0970 0.04 A 48 TYR HDx H 1 7.1240 0.04 A 48 TYR HEx H 1 6.8570 0.04 A 48 TYR CA C 13 56.4370 0.4 A 48 TYR CB C 13 38.7910 0.4 A 48 TYR CDx C 13 133.7670 0.4 A 48 TYR CEx C 13 117.9430 0.4 A 48 TYR N N 15 128.0140 0.4 A 49 THR H H 1 8.6590 0.04 A 49 THR HA H 1 4.8130 0.04 A 49 THR HB H 1 4.4410 0.04 A 49 THR HG2% H 1 1.2770 0.04 A 49 THR CA C 13 60.3490 0.4 A 49 THR CB C 13 70.9670 0.4 A 49 THR CG2 C 13 21.1250 0.4 A 49 THR N N 15 115.0970 0.4 A 50 ARG H H 1 8.6490 0.04 A 50 ARG HA H 1 4.1990 0.04 A 50 ARG HBy H 1 1.9610 0.04 A 50 ARG HDy H 1 3.2820 0.04 A 50 ARG HGx H 1 1.7120 0.04 A 50 ARG HGy H 1 1.7610 0.04 A 50 ARG CA C 13 57.4470 0.4 A 50 ARG CB C 13 29.7740 0.4 A 50 ARG CD C 13 42.9080 0.4 A 50 ARG CG C 13 27.0550 0.4 A 50 ARG N N 15 120.4110 0.4 A 51 LYS H H 1 8.4060 0.04 A 51 LYS HA H 1 4.1630 0.04 A 51 LYS HBx H 1 1.8750 0.04 A 51 LYS HBy H 1 2.0220 0.04 A 51 LYS HDy H 1 1.7120 0.04 A 51 LYS HEy H 1 3.0040 0.04 A 51 LYS HGx H 1 1.4360 0.04 A 51 LYS HGy H 1 1.4830 0.04 A 51 LYS CA C 13 56.6780 0.4 A 51 LYS CB C 13 31.3570 0.4 A 51 LYS CD C 13 28.5140 0.4 A 51 LYS CE C 13 41.4740 0.4 A 51 LYS CG C 13 25.0710 0.4 A 51 LYS N N 15 117.5790 0.4 A 52 ARG H H 1 7.9730 0.04 A 52 ARG HA H 1 4.4420 0.04 A 52 ARG HBx H 1 1.8550 0.04 A 52 ARG HBy H 1 1.9540 0.04 A 52 ARG HDy H 1 3.2010 0.04 A 52 ARG HGy H 1 1.6130 0.04 A 52 ARG CA C 13 55.3050 0.4 A 52 ARG CB C 13 30.7500 0.4 A 52 ARG CD C 13 42.7850 0.4 A 52 ARG CG C 13 26.8230 0.4 A 52 ARG N N 15 116.6620 0.4 A 53 ASP H H 1 8.0660 0.04 A 53 ASP HA H 1 4.7600 0.04 A 53 ASP HBx H 1 2.6050 0.04 A 53 ASP HBy H 1 2.7310 0.04 A 53 ASP CA C 13 53.8910 0.4 A 53 ASP CB C 13 41.0070 0.4 A 53 ASP N N 15 119.7600 0.4 A 54 SER H H 1 8.4770 0.04 A 54 SER HA H 1 4.8910 0.04 A 54 SER HBx H 1 3.3040 0.04 A 54 SER HBy H 1 3.6530 0.04 A 54 SER CA C 13 57.0720 0.4 A 54 SER CB C 13 64.4730 0.4 A 54 SER N N 15 116.7560 0.4 A 55 VAL H H 1 8.3340 0.04 A 55 VAL HA H 1 3.9480 0.04 A 55 VAL HB H 1 1.4430 0.04 A 55 VAL HGx% H 1 -0.0990 0.04 A 55 VAL HGy% H 1 0.6340 0.04 A 55 VAL CA C 13 60.4560 0.4 A 55 VAL CB C 13 33.5380 0.4 A 55 VAL CGy C 13 21.2030 0.4 A 55 VAL CGx C 13 20.5870 0.4 A 55 VAL N N 15 122.7160 0.4 A 56 LYS H H 1 7.5010 0.04 A 56 LYS HA H 1 5.2710 0.04 A 56 LYS HBy H 1 1.4140 0.04 A 56 LYS HDx H 1 1.3840 0.04 A 56 LYS HDy H 1 1.4940 0.04 A 56 LYS HEy H 1 2.7210 0.04 A 56 LYS HGy H 1 1.0770 0.04 A 56 LYS CA C 13 53.6910 0.4 A 56 LYS CB C 13 35.8030 0.4 A 56 LYS CD C 13 28.8590 0.4 A 56 LYS CE C 13 41.2110 0.4 A 56 LYS CG C 13 24.2980 0.4 A 56 LYS N N 15 121.5680 0.4 A 57 TRP H H 1 9.4530 0.04 A 57 TRP HA H 1 4.6650 0.04 A 57 TRP HBx H 1 2.6590 0.04 A 57 TRP HBy H 1 3.0230 0.04 A 57 TRP HD1 H 1 7.6360 0.04 A 57 TRP HE1 H 1 9.2100 0.04 A 57 TRP HE3 H 1 7.4730 0.04 A 57 TRP HH2 H 1 6.6890 0.04 A 57 TRP HZ2 H 1 6.1610 0.04 A 57 TRP HZ3 H 1 6.7110 0.04 A 57 TRP CA C 13 57.7620 0.4 A 57 TRP CB C 13 31.5500 0.4 A 57 TRP CD1 C 13 127.1210 0.4 A 57 TRP CE3 C 13 122.6830 0.4 A 57 TRP CH2 C 13 123.3870 0.4 A 57 TRP CZ2 C 13 114.6810 0.4 A 57 TRP CZ3 C 13 121.9000 0.4 A 57 TRP N N 15 123.6380 0.4 A 57 TRP NE1 N 15 125.4910 0.4 A 58 HIS H H 1 9.0240 0.04 A 58 HIS HA H 1 4.5390 0.04 A 58 HIS HBx H 1 3.1680 0.04 A 58 HIS HBy H 1 3.2690 0.04 A 58 HIS HD2 H 1 7.1330 0.04 A 58 HIS HE1 H 1 7.7640 0.04 A 58 HIS CA C 13 57.1840 0.4 A 58 HIS CB C 13 30.3250 0.4 A 58 HIS CD2 C 13 118.7100 0.4 A 58 HIS CE1 C 13 138.3000 0.4 A 58 HIS N N 15 125.3120 0.4 A 59 TYR H H 1 8.0790 0.04 A 59 TYR HA H 1 4.3520 0.04 A 59 TYR HBx H 1 2.6610 0.04 A 59 TYR HBy H 1 3.2100 0.04 A 59 TYR HDx H 1 6.7080 0.04 A 59 TYR HEx H 1 6.4460 0.04 A 59 TYR CA C 13 59.6990 0.4 A 59 TYR CB C 13 36.5270 0.4 A 59 TYR CDx C 13 130.4490 0.4 A 59 TYR CEx C 13 119.3630 0.4 A 59 TYR N N 15 126.6910 0.4 A 60 LEU H H 1 9.3070 0.04 A 60 LEU HA H 1 4.2370 0.04 A 60 LEU HBx H 1 1.7300 0.04 A 60 LEU HBy H 1 1.8190 0.04 A 60 LEU HDx% H 1 0.9380 0.04 A 60 LEU HDy% H 1 0.9460 0.04 A 60 LEU HG H 1 1.8610 0.04 A 60 LEU CA C 13 56.0990 0.4 A 60 LEU CB C 13 40.5540 0.4 A 60 LEU CDy C 13 24.7450 0.4 A 60 LEU CDx C 13 22.9140 0.4 A 60 LEU CG C 13 26.9750 0.4 A 60 LEU N N 15 114.8590 0.4 A 61 CYS H H 1 8.4210 0.04 A 61 CYS HA H 1 5.2460 0.04 A 61 CYS HBx H 1 3.2170 0.04 A 61 CYS HBy H 1 3.2460 0.04 A 61 CYS CA C 13 57.4330 0.4 A 61 CYS CB C 13 28.0660 0.4 A 61 CYS N N 15 114.4150 0.4 A 62 LEU H H 1 7.7020 0.04 A 62 LEU HA H 1 4.7470 0.04 A 62 LEU HBx H 1 1.2520 0.04 A 62 LEU HBy H 1 2.2190 0.04 A 62 LEU HDx% H 1 0.7170 0.04 A 62 LEU HDy% H 1 0.5450 0.04 A 62 LEU HG H 1 2.0110 0.04 A 62 LEU CA C 13 54.4380 0.4 A 62 LEU CB C 13 41.0390 0.4 A 62 LEU CDy C 13 25.0680 0.4 A 62 LEU CDx C 13 23.5670 0.4 A 62 LEU CG C 13 26.5930 0.4 A 62 LEU N N 15 122.4130 0.4 A 63 ARG H H 1 9.3010 0.04 A 63 ARG N N 15 122.8390 0.4 A 64 ARG H H 1 7.4570 0.04 A 64 ARG HA H 1 5.4860 0.04 A 64 ARG HBx H 1 1.4730 0.04 A 64 ARG HBy H 1 1.7350 0.04 A 64 ARG HDy H 1 2.9070 0.04 A 64 ARG HDx H 1 2.8900 0.04 A 64 ARG HGx H 1 1.3500 0.04 A 64 ARG HGy H 1 1.4400 0.04 A 64 ARG CA C 13 53.6450 0.4 A 64 ARG CB C 13 35.0050 0.4 A 64 ARG CD C 13 42.5000 0.4 A 64 ARG CG C 13 27.6200 0.4 A 64 ARG N N 15 111.5120 0.4 A 65 TYR H H 1 8.3400 0.04 A 65 TYR HA H 1 5.5400 0.04 A 65 TYR HBx H 1 3.1280 0.04 A 65 TYR HBy H 1 3.5170 0.04 A 65 TYR HDy H 1 6.8650 0.04 A 65 TYR HEy H 1 6.3530 0.04 A 65 TYR CA C 13 56.1890 0.4 A 65 TYR CB C 13 39.5140 0.4 A 65 TYR CDy C 13 133.1240 0.4 A 65 TYR CEy C 13 117.7020 0.4 A 65 TYR N N 15 115.1270 0.4 A 66 GLY H H 1 8.9500 0.04 A 66 GLY HAx H 1 4.5290 0.04 A 66 GLY HAy H 1 4.6500 0.04 A 66 GLY CA C 13 45.9000 0.4 A 66 GLY N N 15 104.9380 0.4 A 67 TYR H H 1 8.0220 0.04 A 67 TYR HA H 1 5.5620 0.04 A 67 TYR HBx H 1 2.7890 0.04 A 67 TYR HBy H 1 3.4570 0.04 A 67 TYR HDx H 1 6.4380 0.04 A 67 TYR HEx H 1 6.6700 0.04 A 67 TYR CA C 13 55.4850 0.4 A 67 TYR CB C 13 43.3470 0.4 A 67 TYR CDx C 13 133.3460 0.4 A 67 TYR CEx C 13 118.2300 0.4 A 67 TYR N N 15 117.1430 0.4 A 68 ASP H H 1 8.6560 0.04 A 68 ASP HA H 1 3.8300 0.04 A 68 ASP HBx H 1 2.2290 0.04 A 68 ASP HBy H 1 2.6960 0.04 A 68 ASP CA C 13 55.4420 0.4 A 68 ASP CB C 13 46.0160 0.4 A 68 ASP N N 15 119.2900 0.4 A 69 SER H H 1 8.9570 0.04 A 69 SER HA H 1 4.0400 0.04 A 69 SER HBy H 1 3.9800 0.04 A 69 SER CB C 13 59.1700 0.4 A 69 SER N N 15 119.5610 0.4 A 70 ASN H H 1 8.5020 0.04 A 70 ASN HA H 1 5.1320 0.04 A 70 ASN HBx H 1 2.9290 0.04 A 70 ASN HBy H 1 3.1510 0.04 A 70 ASN HD2y H 1 7.6220 0.04 A 70 ASN HD2x H 1 6.8390 0.04 A 70 ASN CA C 13 51.9880 0.4 A 70 ASN CB C 13 37.2780 0.4 A 70 ASN N N 15 119.4380 0.4 A 70 ASN ND2 N 15 109.4740 0.4 A 71 LEU H H 1 8.8070 0.04 A 71 LEU HA H 1 5.5650 0.04 A 71 LEU HBx H 1 1.1910 0.04 A 71 LEU HBy H 1 2.0720 0.04 A 71 LEU HDx% H 1 0.8790 0.04 A 71 LEU HDy% H 1 0.8440 0.04 A 71 LEU HG H 1 1.7540 0.04 A 71 LEU CA C 13 53.4510 0.4 A 71 LEU CB C 13 45.7360 0.4 A 71 LEU CDy C 13 25.6350 0.4 A 71 LEU CDx C 13 23.6300 0.4 A 71 LEU CG C 13 26.5730 0.4 A 71 LEU N N 15 120.4810 0.4 A 72 PHE H H 1 9.4390 0.04 A 72 PHE HA H 1 5.5270 0.04 A 72 PHE HBx H 1 2.7820 0.04 A 72 PHE HBy H 1 3.1950 0.04 A 72 PHE HDy H 1 7.2220 0.04 A 72 PHE HEy H 1 7.1530 0.04 A 72 PHE HZ H 1 6.8660 0.04 A 72 PHE CA C 13 55.1840 0.4 A 72 PHE CB C 13 43.8630 0.4 A 72 PHE CDy C 13 132.1530 0.4 A 72 PHE CEy C 13 131.0610 0.4 A 72 PHE CZ C 13 129.9880 0.4 A 72 PHE N N 15 120.8150 0.4 A 73 SER H H 1 8.5970 0.04 A 73 SER HA H 1 5.3870 0.04 A 73 SER HBx H 1 2.9630 0.04 A 73 SER HBy H 1 3.3750 0.04 A 73 SER CA C 13 54.9940 0.4 A 73 SER CB C 13 66.4090 0.4 A 73 SER N N 15 120.2700 0.4 A 74 PHE H H 1 8.0500 0.04 A 74 PHE HA H 1 5.2610 0.04 A 74 PHE HBx H 1 2.9200 0.04 A 74 PHE HBy H 1 3.1480 0.04 A 74 PHE HDy H 1 6.6930 0.04 A 74 PHE HEy H 1 5.9430 0.04 A 74 PHE CA C 13 55.6990 0.4 A 74 PHE CB C 13 41.9030 0.4 A 74 PHE CDy C 13 131.9910 0.4 A 74 PHE CEy C 13 130.1950 0.4 A 74 PHE N N 15 117.1570 0.4 A 75 GLU HA H 1 5.7360 0.04 A 75 GLU HBx H 1 1.8800 0.04 A 75 GLU HBy H 1 2.0200 0.04 A 75 GLU HGy H 1 2.2300 0.04 A 75 GLU CA C 13 51.7090 0.4 A 75 GLU CB C 13 31.8200 0.4 A 75 GLU CG C 13 35.3000 0.4 A 76 SER H H 1 9.9300 0.04 A 76 SER HA H 1 5.2430 0.04 A 76 SER HBx H 1 4.0520 0.04 A 76 SER HBy H 1 4.9680 0.04 A 76 SER CA C 13 56.9060 0.4 A 76 SER CB C 13 67.8860 0.4 A 76 SER N N 15 123.6560 0.4 A 77 GLY H H 1 8.9390 0.04 A 77 GLY HAx H 1 4.0300 0.04 A 77 GLY HAy H 1 4.4580 0.04 A 77 GLY CA C 13 45.0000 0.4 A 77 GLY N N 15 105.9060 0.4 A 78 ARG H H 1 9.6800 0.04 A 78 ARG HA H 1 4.0170 0.04 A 78 ARG HBx H 1 1.8810 0.04 A 78 ARG HBy H 1 2.0320 0.04 A 78 ARG N N 15 114.6760 0.4 A 79 ARG H H 1 9.3890 0.04 A 79 ARG HA H 1 4.5730 0.04 A 79 ARG HBy H 1 1.9050 0.04 A 79 ARG HDy H 1 3.2030 0.04 A 79 ARG HGx H 1 1.6170 0.04 A 79 ARG HGy H 1 1.6430 0.04 A 79 ARG CA C 13 54.9280 0.4 A 79 ARG CB C 13 27.0700 0.4 A 79 ARG CD C 13 42.8660 0.4 A 79 ARG CG C 13 26.9000 0.4 A 79 ARG N N 15 121.8010 0.4 A 80 CYS H H 1 7.9940 0.04 A 80 CYS HA H 1 4.8880 0.04 A 80 CYS HBx H 1 3.1550 0.04 A 80 CYS HBy H 1 3.9620 0.04 A 80 CYS CA C 13 55.9650 0.4 A 80 CYS CB C 13 29.5980 0.4 A 80 CYS N N 15 113.9010 0.4 A 81 GLN H H 1 8.9500 0.04 A 81 GLN HA H 1 4.0960 0.04 A 81 GLN HBx H 1 1.9960 0.04 A 81 GLN HBy H 1 2.1930 0.04 A 81 GLN HE2y H 1 7.5840 0.04 A 81 GLN HE2x H 1 6.9100 0.04 A 81 GLN HGx H 1 2.3050 0.04 A 81 GLN HGy H 1 2.3590 0.04 A 81 GLN CA C 13 58.9390 0.4 A 81 GLN CB C 13 28.3400 0.4 A 81 GLN CG C 13 33.2460 0.4 A 81 GLN N N 15 122.8390 0.4 A 81 GLN NE2 N 15 111.6720 0.4 A 82 THR H H 1 8.3450 0.04 A 82 THR HA H 1 4.2070 0.04 A 82 THR HB H 1 4.5530 0.04 A 82 THR HG2% H 1 1.0990 0.04 A 82 THR CA C 13 63.1470 0.4 A 82 THR CB C 13 70.5910 0.4 A 82 THR CG2 C 13 20.8260 0.4 A 82 THR N N 15 107.2970 0.4 A 83 GLY H H 1 7.8200 0.04 A 83 GLY HAx H 1 3.9580 0.04 A 83 GLY HAy H 1 4.4130 0.04 A 83 GLY CA C 13 43.9940 0.4 A 83 GLY N N 15 112.6810 0.4 A 84 GLN H H 1 8.6220 0.04 A 84 GLN HBy H 1 1.8850 0.04 A 84 GLN N N 15 119.9720 0.4 A 85 GLY H H 1 8.0560 0.04 A 85 GLY HAx H 1 3.3620 0.04 A 85 GLY HAy H 1 3.9650 0.04 A 85 GLY N N 15 111.0400 0.4 A 86 ILE H H 1 8.0210 0.04 A 86 ILE HA H 1 4.2860 0.04 A 86 ILE HB H 1 1.3600 0.04 A 86 ILE HD1% H 1 0.6300 0.04 A 86 ILE HG12 H 1 0.7980 0.04 A 86 ILE HG1x H 1 0.7980 0.04 A 86 ILE HG1y H 1 1.3750 0.04 A 86 ILE HG2% H 1 0.4460 0.04 A 86 ILE CA C 13 60.1620 0.4 A 86 ILE CB C 13 38.5420 0.4 A 86 ILE CD1 C 13 13.6210 0.4 A 86 ILE CG2 C 13 17.0740 0.4 A 86 ILE N N 15 121.6450 0.4 A 87 PHE H H 1 8.4760 0.04 A 87 PHE HA H 1 4.6260 0.04 A 87 PHE HBx H 1 1.4750 0.04 A 87 PHE HBy H 1 2.4480 0.04 A 87 PHE HDy H 1 6.6750 0.04 A 87 PHE HEy H 1 7.0880 0.04 A 87 PHE HZ H 1 7.2430 0.04 A 87 PHE CA C 13 54.9440 0.4 A 87 PHE CB C 13 42.0030 0.4 A 87 PHE CDy C 13 133.3630 0.4 A 87 PHE N N 15 123.8900 0.4 A 88 ALA H H 1 9.1490 0.04 A 88 ALA HA H 1 5.2810 0.04 A 88 ALA HB% H 1 0.9730 0.04 A 88 ALA CA C 13 50.2040 0.4 A 88 ALA CB C 13 22.3350 0.4 A 88 ALA N N 15 124.8240 0.4 A 89 PHE H H 1 9.4230 0.04 A 89 PHE HA H 1 5.4450 0.04 A 89 PHE HBx H 1 2.7360 0.04 A 89 PHE HBy H 1 3.0500 0.04 A 89 PHE HDx H 1 7.0680 0.04 A 89 PHE HEx H 1 7.2410 0.04 A 89 PHE HZ H 1 7.2570 0.04 A 89 PHE CA C 13 55.7050 0.4 A 89 PHE CB C 13 43.4960 0.4 A 89 PHE CDx C 13 132.1460 0.4 A 89 PHE CEx C 13 132.1460 0.4 A 89 PHE N N 15 118.0470 0.4 A 90 LYS H H 1 9.9430 0.04 A 90 LYS HA H 1 5.5050 0.04 A 90 LYS HBx H 1 1.6510 0.04 A 90 LYS HBy H 1 1.8800 0.04 A 90 LYS HDy H 1 1.7030 0.04 A 90 LYS HEx H 1 2.8520 0.04 A 90 LYS HEy H 1 2.9330 0.04 A 90 LYS HGx H 1 1.4780 0.04 A 90 LYS HGy H 1 1.5750 0.04 A 90 LYS CA C 13 54.8280 0.4 A 90 LYS CB C 13 34.0130 0.4 A 90 LYS CD C 13 29.3810 0.4 A 90 LYS CE C 13 41.1810 0.4 A 90 LYS CG C 13 25.0290 0.4 A 90 LYS N N 15 122.9370 0.4 A 91 CYS H H 1 9.6890 0.04 A 91 CYS HA H 1 4.7530 0.04 A 91 CYS HBx H 1 2.2200 0.04 A 91 CYS HBy H 1 3.1220 0.04 A 91 CYS CA C 13 58.1750 0.4 A 91 CYS CB C 13 28.8090 0.4 A 91 CYS N N 15 126.1150 0.4 A 92 ALA HA H 1 4.4310 0.04 A 92 ALA HB% H 1 1.6600 0.04 A 92 ALA CA C 13 54.7100 0.4 A 92 ALA CB C 13 17.8630 0.4 A 93 ARG H H 1 7.9640 0.04 A 93 ARG HA H 1 5.0120 0.04 A 93 ARG HBx H 1 1.6670 0.04 A 93 ARG HBy H 1 2.8060 0.04 A 93 ARG HDx H 1 3.2600 0.04 A 93 ARG HDy H 1 3.4770 0.04 A 93 ARG HGy H 1 1.7950 0.04 A 93 ARG CA C 13 53.9570 0.4 A 93 ARG CB C 13 30.8030 0.4 A 93 ARG CD C 13 43.9940 0.4 A 93 ARG CG C 13 26.2360 0.4 A 93 ARG N N 15 117.2480 0.4 A 94 ALA H H 1 7.3100 0.04 A 94 ALA HA H 1 3.5230 0.04 A 94 ALA HB% H 1 1.7110 0.04 A 94 ALA CA C 13 55.9710 0.4 A 94 ALA CB C 13 18.0960 0.4 A 94 ALA N N 15 122.3690 0.4 A 95 GLU H H 1 8.3760 0.04 A 95 GLU HA H 1 2.4800 0.04 A 95 GLU HBy H 1 1.8940 0.04 A 95 GLU HGx H 1 1.9900 0.04 A 95 GLU HGy H 1 2.0190 0.04 A 95 GLU CA C 13 58.6960 0.4 A 95 GLU CB C 13 29.0610 0.4 A 95 GLU CG C 13 35.2560 0.4 A 95 GLU N N 15 116.2050 0.4 A 96 GLU H H 1 7.4180 0.04 A 96 GLU HA H 1 3.9670 0.04 A 96 GLU HBy H 1 2.2640 0.04 A 96 GLU HGx H 1 2.3630 0.04 A 96 GLU HGy H 1 2.4720 0.04 A 96 GLU CA C 13 58.9000 0.4 A 96 GLU CB C 13 30.0300 0.4 A 96 GLU CG C 13 36.5760 0.4 A 96 GLU N N 15 119.1880 0.4 A 97 LEU H H 1 7.8470 0.04 A 97 LEU HA H 1 3.0140 0.04 A 97 LEU HBx H 1 0.2380 0.04 A 97 LEU HBy H 1 0.9150 0.04 A 97 LEU HDx% H 1 -0.2250 0.04 A 97 LEU HDy% H 1 -0.4830 0.04 A 97 LEU HG H 1 -0.0540 0.04 A 97 LEU CA C 13 58.7190 0.4 A 97 LEU CB C 13 41.0130 0.4 A 97 LEU CDy C 13 24.1930 0.4 A 97 LEU CDx C 13 22.6140 0.4 A 97 LEU CG C 13 26.8270 0.4 A 97 LEU N N 15 123.6540 0.4 A 98 PHE H H 1 8.0760 0.04 A 98 PHE HA H 1 3.7930 0.04 A 98 PHE HBx H 1 2.9710 0.04 A 98 PHE HBy H 1 3.0710 0.04 A 98 PHE HDx H 1 7.3130 0.04 A 98 PHE HEx H 1 7.5060 0.04 A 98 PHE HZ H 1 7.4100 0.04 A 98 PHE CA C 13 61.6960 0.4 A 98 PHE CDx C 13 126.9430 0.4 A 98 PHE CEx C 13 132.6190 0.4 A 98 PHE CZ C 13 130.4890 0.4 A 98 PHE N N 15 118.7460 0.4 A 99 ASN H H 1 8.6220 0.04 A 99 ASN HA H 1 4.2200 0.04 A 99 ASN HBx H 1 2.7340 0.04 A 99 ASN HBy H 1 2.8470 0.04 A 99 ASN HD2y H 1 7.5520 0.04 A 99 ASN HD2x H 1 7.0930 0.04 A 99 ASN CA C 13 55.4660 0.4 A 99 ASN CB C 13 37.2810 0.4 A 99 ASN N N 15 117.0170 0.4 A 99 ASN ND2 N 15 111.0300 0.4 A 100 MET H H 1 8.3160 0.04 A 100 MET HA H 1 4.0610 0.04 A 100 MET HBx H 1 1.9750 0.04 A 100 MET HBy H 1 2.2040 0.04 A 100 MET HE% H 1 2.1280 0.04 A 100 MET HGx H 1 2.4460 0.04 A 100 MET HGy H 1 2.6850 0.04 A 100 MET CA C 13 58.6990 0.4 A 100 MET CB C 13 32.0480 0.4 A 100 MET CE C 13 16.6810 0.4 A 100 MET CG C 13 32.1670 0.4 A 100 MET N N 15 121.9140 0.4 A 101 LEU H H 1 8.0470 0.04 A 101 LEU HA H 1 3.5800 0.04 A 101 LEU HBx H 1 1.1280 0.04 A 101 LEU HBy H 1 1.3080 0.04 A 101 LEU HDx% H 1 0.2880 0.04 A 101 LEU HDy% H 1 0.2180 0.04 A 101 LEU HG H 1 0.8500 0.04 A 101 LEU CA C 13 57.4260 0.4 A 101 LEU CB C 13 41.1000 0.4 A 101 LEU CDx C 13 24.3060 0.4 A 101 LEU CDy C 13 24.9150 0.4 A 101 LEU CG C 13 25.9150 0.4 A 101 LEU N N 15 121.0940 0.4 A 102 GLN H H 1 8.1950 0.04 A 102 GLN HA H 1 3.9140 0.04 A 102 GLN HBx H 1 1.8110 0.04 A 102 GLN HBy H 1 1.8400 0.04 A 102 GLN HE2y H 1 7.0060 0.04 A 102 GLN HE2x H 1 6.6600 0.04 A 102 GLN HGx H 1 1.8860 0.04 A 102 GLN HGy H 1 2.0690 0.04 A 102 GLN CA C 13 58.4460 0.4 A 102 GLN CB C 13 28.6870 0.4 A 102 GLN CG C 13 33.6740 0.4 A 102 GLN N N 15 116.4170 0.4 A 102 GLN NE2 N 15 110.7810 0.4 A 103 GLU H H 1 7.6350 0.04 A 103 GLU HA H 1 3.9080 0.04 A 103 GLU HBy H 1 2.0990 0.04 A 103 GLU HGx H 1 2.1950 0.04 A 103 GLU HGy H 1 2.3200 0.04 A 103 GLU CA C 13 58.9170 0.4 A 103 GLU CB C 13 29.0610 0.4 A 103 GLU CG C 13 35.7810 0.4 A 103 GLU N N 15 119.0960 0.4 A 104 ILE H H 1 7.9650 0.04 A 104 ILE HA H 1 3.6010 0.04 A 104 ILE HB H 1 1.5600 0.04 A 104 ILE HD1% H 1 0.7340 0.04 A 104 ILE HG1x H 1 0.9310 0.04 A 104 ILE HG1y H 1 1.7310 0.04 A 104 ILE HG2% H 1 0.6590 0.04 A 104 ILE CA C 13 64.7100 0.4 A 104 ILE CB C 13 38.0500 0.4 A 104 ILE CD1 C 13 14.1420 0.4 A 104 ILE CG1 C 13 29.0610 0.4 A 104 ILE CG2 C 13 17.0380 0.4 A 104 ILE N N 15 120.8030 0.4 A 105 MET H H 1 8.1450 0.04 A 105 MET HA H 1 4.0200 0.04 A 105 MET HE% H 1 1.7490 0.04 A 105 MET HGx H 1 2.2230 0.04 A 105 MET HGy H 1 2.3270 0.04 A 105 MET CA C 13 57.3840 0.4 A 105 MET CE C 13 17.3580 0.4 A 105 MET CG C 13 32.5680 0.4 A 105 MET N N 15 117.0160 0.4 A 106 GLN H H 1 7.9300 0.04 A 106 GLN HA H 1 4.2030 0.04 A 106 GLN HBx H 1 2.1290 0.04 A 106 GLN HBy H 1 2.1460 0.04 A 106 GLN HE2y H 1 7.4180 0.04 A 106 GLN HE2x H 1 6.8230 0.04 A 106 GLN HGx H 1 2.4330 0.04 A 106 GLN HGy H 1 2.4920 0.04 A 106 GLN CA C 13 56.6410 0.4 A 106 GLN CB C 13 28.1130 0.4 A 106 GLN CG C 13 33.5000 0.4 A 106 GLN N N 15 116.1500 0.4 A 106 GLN NE2 N 15 111.1740 0.4 A 107 ASN H H 1 7.8720 0.04 A 107 ASN HA H 1 4.7200 0.04 A 107 ASN HBx H 1 2.8520 0.04 A 107 ASN HBy H 1 2.9050 0.04 A 107 ASN HD2y H 1 7.7510 0.04 A 107 ASN HD2x H 1 6.9850 0.04 A 107 ASN CA C 13 53.4970 0.4 A 107 ASN CB C 13 38.5590 0.4 A 107 ASN N N 15 117.3600 0.4 A 107 ASN ND2 N 15 113.2770 0.4 A 108 ASN H H 1 8.1440 0.04 A 108 ASN HA H 1 4.7600 0.04 A 108 ASN HBy H 1 2.8620 0.04 A 108 ASN HBx H 1 2.7200 0.04 A 108 ASN HD2y H 1 7.6380 0.04 A 108 ASN HD2x H 1 6.9770 0.04 A 108 ASN CA C 13 52.7000 0.4 A 108 ASN CB C 13 38.5180 0.4 A 108 ASN N N 15 118.6110 0.4 A 108 ASN ND2 N 15 112.3020 0.4 A 109 SER H H 1 8.2150 0.04 A 109 SER HA H 1 4.5190 0.04 A 109 SER HBy H 1 3.9060 0.04 A 109 SER CA C 13 57.7000 0.4 A 109 SER CB C 13 63.1500 0.4 A 109 SER N N 15 115.7040 0.4 A 110 ILE H H 1 8.0610 0.04 A 110 ILE HA H 1 4.2120 0.04 A 110 ILE HB H 1 1.9470 0.04 A 110 ILE HD1% H 1 0.9090 0.04 A 110 ILE HG1x H 1 1.2360 0.04 A 110 ILE HG1y H 1 1.5130 0.04 A 110 ILE HG2% H 1 0.9760 0.04 A 110 ILE CA C 13 60.8860 0.4 A 110 ILE CB C 13 38.2350 0.4 A 110 ILE CD1 C 13 12.8840 0.4 A 110 ILE CG1 C 13 26.8700 0.4 A 110 ILE CG2 C 13 17.3780 0.4 A 110 ILE N N 15 121.9540 0.4 A 111 ASN H H 1 8.3760 0.04 A 111 ASN HA H 1 4.7820 0.04 A 111 ASN HBx H 1 2.7720 0.04 A 111 ASN HBy H 1 2.8230 0.04 A 111 ASN HD2y H 1 7.5710 0.04 A 111 ASN HD2x H 1 6.8810 0.04 A 111 ASN CA C 13 52.7340 0.4 A 111 ASN CB C 13 38.8000 0.4 A 111 ASN N N 15 122.3860 0.4 A 111 ASN ND2 N 15 112.7010 0.4 A 112 VAL H H 1 8.0670 0.04 A 112 VAL HA H 1 4.1850 0.04 A 112 VAL HB H 1 2.0530 0.04 A 112 VAL HGx% H 1 0.9280 0.04 A 112 VAL HGy% H 1 0.9150 0.04 A 112 VAL CA C 13 61.6600 0.4 A 112 VAL CB C 13 32.3300 0.4 A 112 VAL CG1 C 13 20.1200 0.4 A 112 VAL CGy C 13 20.5180 0.4 A 112 VAL CGx C 13 20.1200 0.4 A 112 VAL N N 15 120.8300 0.4 A 113 VAL H H 1 8.1670 0.04 A 113 VAL HA H 1 4.1150 0.04 A 113 VAL HB H 1 2.0350 0.04 A 113 VAL HGx% H 1 0.9000 0.04 A 113 VAL HGy% H 1 0.9030 0.04 A 113 VAL CA C 13 61.4500 0.4 A 113 VAL CB C 13 32.3450 0.4 A 113 VAL CG1 C 13 20.0000 0.4 A 113 VAL CG2 C 13 20.5000 0.4 A 113 VAL N N 15 124.2490 0.4 A 114 GLU H H 1 8.4050 0.04 A 114 GLU HA H 1 4.3090 0.04 A 114 GLU HBx H 1 1.8920 0.04 A 114 GLU HBy H 1 2.0100 0.04 A 114 GLU HGx H 1 2.1900 0.04 A 114 GLU HGy H 1 2.2200 0.04 A 114 GLU CA C 13 55.6900 0.4 A 114 GLU CB C 13 30.0500 0.4 A 114 GLU CG C 13 35.7800 0.4 A 114 GLU N N 15 125.2880 0.4 A 115 GLU H H 1 8.3920 0.04 A 115 GLU HA H 1 4.5630 0.04 A 115 GLU HBx H 1 1.8770 0.04 A 115 GLU HBy H 1 2.0170 0.04 A 115 GLU HGy H 1 2.2670 0.04 A 115 GLU CA C 13 53.7250 0.4 A 115 GLU CB C 13 29.4350 0.4 A 115 GLU CG C 13 35.4860 0.4 A 115 GLU N N 15 123.9900 0.4 A 116 PRO HA H 1 4.4300 0.04 A 116 PRO HBx H 1 1.8640 0.04 A 116 PRO HBy H 1 2.2670 0.04 A 116 PRO HDx H 1 3.6840 0.04 A 116 PRO HDy H 1 3.8030 0.04 A 116 PRO HGy H 1 2.0050 0.04 A 116 PRO CA C 13 62.6700 0.4 A 116 PRO CB C 13 31.6550 0.4 A 116 PRO CD C 13 50.2350 0.4 A 116 PRO CG C 13 26.8490 0.4 A 117 VAL H H 1 8.2660 0.04 A 117 VAL HA H 1 4.0760 0.04 A 117 VAL HB H 1 2.0260 0.04 A 117 VAL HGx% H 1 0.9100 0.04 A 117 VAL HGy% H 1 0.9580 0.04 A 117 VAL CA C 13 61.9900 0.4 A 117 VAL CB C 13 31.8200 0.4 A 117 VAL CG1 C 13 20.8800 0.4 A 117 VAL CG2 C 13 20.3500 0.4 A 117 VAL N N 15 121.3390 0.4 A 118 VAL H H 1 8.2020 0.04 A 118 VAL HA H 1 4.1160 0.04 A 118 VAL HB H 1 2.0320 0.04 A 118 VAL HGy% H 1 0.9020 0.04 A 118 VAL CGy C 13 20.4720 0.4 A 118 VAL N N 15 124.7620 0.4 A 119 GLU H H 1 8.4790 0.04 A 119 GLU HBx H 1 1.9330 0.04 A 119 GLU HBy H 1 2.0030 0.04 A 119 GLU N N 15 125.3040 0.4 A 120 ARG HA H 1 4.3950 0.04 A 120 ARG HBx H 1 1.7590 0.04 A 120 ARG HBy H 1 1.8750 0.04 A 120 ARG HDy H 1 3.1990 0.04 A 120 ARG HGy H 1 1.6130 0.04 A 120 ARG CA C 13 55.3500 0.4 A 120 ARG CB C 13 30.5650 0.4 A 120 ARG CD C 13 42.7750 0.4 A 120 ARG CG C 13 26.8210 0.4 A 121 ASN H H 1 8.5360 0.04 A 121 ASN HA H 1 4.7540 0.04 A 121 ASN N N 15 120.4650 0.4 A 122 ASN H H 1 8.0110 0.04 A 122 ASN HA H 1 4.7530 0.04 A 122 ASN HD2y H 1 7.4740 0.04 A 122 ASN HD2x H 1 6.7690 0.04 A 122 ASN N N 15 124.2820 0.4 A 122 ASN ND2 N 15 112.3480 0.4 B 493 GLY HAx H 1 4.0500 0.04 B 493 GLY HAy H 1 4.1200 0.04 B 493 GLY CA C 13 43.9700 0.4 B 494 PRO HA H 1 4.3970 0.04 B 494 PRO HBy H 1 2.2700 0.04 B 494 PRO HDy H 1 3.6000 0.04 B 494 PRO HGy H 1 1.9900 0.04 B 494 PRO CA C 13 62.9600 0.4 B 494 PRO CD C 13 49.2200 0.4 B 495 ASP H H 1 8.3710 0.04 B 495 ASP HA H 1 4.4830 0.04 B 495 ASP HBy H 1 2.6290 0.04 B 495 ASP CA C 13 53.5800 0.4 B 495 ASP CB C 13 40.4700 0.4 B 495 ASP N N 15 119.3000 0.4 B 496 ALA H H 1 7.7030 0.04 B 496 ALA HA H 1 4.9990 0.04 B 496 ALA HB% H 1 0.9940 0.04 B 496 ALA CA C 13 50.6970 0.4 B 496 ALA CB C 13 21.5480 0.4 B 496 ALA N N 15 119.9530 0.4 B 497 VAL H H 1 8.5330 0.04 B 497 VAL HA H 1 4.0460 0.04 B 497 VAL HB H 1 1.5980 0.04 B 497 VAL HGx% H 1 0.6760 0.04 B 497 VAL HGy% H 1 0.6230 0.04 B 497 VAL CA C 13 60.9170 0.4 B 497 VAL CB C 13 33.8400 0.4 B 497 VAL CGy C 13 20.8530 0.4 B 497 VAL CGx C 13 20.3120 0.4 B 497 VAL N N 15 120.8910 0.4 B 498 ILE HA H 1 4.6300 0.04 B 498 ILE HB H 1 1.6700 0.04 B 498 ILE HD1% H 1 0.6900 0.04 B 498 ILE HG12 H 1 0.9020 0.04 B 498 ILE HG13 H 1 1.3550 0.04 B 498 ILE HG2% H 1 0.6740 0.04 B 498 ILE CA C 13 59.5000 0.4 B 498 ILE CB C 13 37.5000 0.4 B 498 ILE CD1 C 13 12.2000 0.4 B 498 ILE CG1 C 13 27.4000 0.4 B 498 ILE CG2 C 13 16.9300 0.4 B 499 ILE H H 1 8.4060 0.04 B 499 ILE HA H 1 4.3800 0.04 B 499 ILE HB H 1 1.7360 0.04 B 499 ILE HD1% H 1 0.5220 0.04 B 499 ILE HG12 H 1 1.1600 0.04 B 499 ILE HG13 H 1 1.3530 0.04 B 499 ILE HG2% H 1 0.6640 0.04 B 499 ILE CA C 13 56.9000 0.4 B 499 ILE CB C 13 37.2700 0.4 B 499 ILE CD1 C 13 11.1400 0.4 B 499 ILE CG1 C 13 26.2000 0.4 B 499 ILE CG2 C 13 16.8600 0.4 B 499 ILE N N 15 126.9010 0.4 B 500 GLY H H 1 8.7170 0.04 B 500 GLY HAy H 1 3.7540 0.04 B 500 GLY N N 15 115.9370 0.4 B 501 MET H H 1 8.6740 0.04 B 501 MET HA H 1 4.4300 0.04 B 501 MET HBx H 1 2.0100 0.04 B 501 MET HBy H 1 2.1040 0.04 B 501 MET HE% H 1 2.0700 0.04 B 501 MET HGx H 1 2.5200 0.04 B 501 MET HGy H 1 2.5820 0.04 B 501 MET CA C 13 55.1900 0.4 B 501 MET CB C 13 32.5500 0.4 B 501 MET CE C 13 16.6200 0.4 B 501 MET CG C 13 31.5700 0.4 B 501 MET N N 15 123.0560 0.4 B 502 THR H H 1 8.3900 0.04 B 502 THR HA H 1 4.2260 0.04 B 502 THR HB H 1 4.0680 0.04 B 502 THR HG2% H 1 1.1220 0.04 B 502 THR CA C 13 62.4700 0.4 B 502 THR CB C 13 69.5820 0.4 B 502 THR CG2 C 13 21.5880 0.4 B 502 THR N N 15 118.9660 0.4 B 503 LYS H H 1 8.4800 0.04 B 503 LYS HA H 1 4.4140 0.04 B 503 LYS HBx H 1 1.4570 0.04 B 503 LYS HBy H 1 1.5470 0.04 B 503 LYS HDy H 1 1.5230 0.04 B 503 LYS HEy H 1 2.7760 0.04 B 503 LYS HGy H 1 1.1370 0.04 B 503 LYS CA C 13 54.6300 0.4 B 503 LYS CB C 13 32.5450 0.4 B 503 LYS CD C 13 28.8120 0.4 B 503 LYS CE C 13 41.2330 0.4 B 503 LYS CG C 13 24.9900 0.4 B 503 LYS N N 15 126.1700 0.4 B 504 ILE H H 1 9.2440 0.04 B 504 ILE HA H 1 4.0500 0.04 B 504 ILE HB H 1 1.8140 0.04 B 504 ILE HD1% H 1 0.5800 0.04 B 504 ILE HG12 H 1 1.4100 0.04 B 504 ILE HG13 H 1 1.4400 0.04 B 504 ILE HG2% H 1 0.3340 0.04 B 504 ILE CA C 13 57.9000 0.4 B 504 ILE CB C 13 38.7600 0.4 B 504 ILE CD1 C 13 15.0900 0.4 B 504 ILE CG1 C 13 26.8000 0.4 B 504 ILE CG2 C 13 15.6450 0.4 B 504 ILE N N 15 126.5540 0.4 B 505 PRO HA H 1 4.6300 0.04 B 505 PRO HBx H 1 1.8210 0.04 B 505 PRO HBy H 1 2.2050 0.04 B 505 PRO HDx H 1 3.4800 0.04 B 505 PRO HDy H 1 4.0400 0.04 B 505 PRO HGx H 1 1.8310 0.04 B 505 PRO HGy H 1 2.0830 0.04 B 505 PRO CA C 13 61.8000 0.4 B 505 PRO CB C 13 30.9600 0.4 B 505 PRO CD C 13 50.2150 0.4 B 505 PRO CG C 13 27.0700 0.4 B 506 VAL H H 1 7.8860 0.04 B 506 VAL HA H 1 4.8710 0.04 B 506 VAL HB H 1 1.6030 0.04 B 506 VAL HGx% H 1 0.5380 0.04 B 506 VAL HGy% H 1 0.5220 0.04 B 506 VAL CA C 13 57.9310 0.4 B 506 VAL CB C 13 34.5400 0.4 B 506 VAL CGy C 13 20.5740 0.4 B 506 VAL CGx C 13 17.8970 0.4 B 506 VAL N N 15 113.4680 0.4 B 507 ILE H H 1 8.7730 0.04 B 507 ILE HA H 1 4.5250 0.04 B 507 ILE HB H 1 1.8300 0.04 B 507 ILE HD1% H 1 0.9430 0.04 B 507 ILE HG1x H 1 1.1980 0.04 B 507 ILE HG1y H 1 1.2860 0.04 B 507 ILE HG2% H 1 0.9600 0.04 B 507 ILE CA C 13 58.2600 0.4 B 507 ILE CB C 13 40.5500 0.4 B 507 ILE CD1 C 13 13.5900 0.4 B 507 ILE CG1 C 13 25.8560 0.4 B 507 ILE CG2 C 13 17.4610 0.4 B 507 ILE N N 15 117.7410 0.4 B 508 GLU HA H 1 4.5260 0.04 B 508 GLU HBx H 1 1.9600 0.04 B 508 GLU HBy H 1 1.9800 0.04 B 508 GLU HGx H 1 2.1400 0.04 B 508 GLU HGy H 1 2.3800 0.04 B 508 GLU CA C 13 55.1500 0.4 B 508 GLU CB C 13 30.3500 0.4 B 508 GLU CG C 13 36.7000 0.4 B 509 ASN HA H 1 5.1470 0.04 B 509 ASN HBx H 1 2.5090 0.04 B 509 ASN HBy H 1 2.5260 0.04 B 509 ASN CA C 13 49.2360 0.4 B 509 ASN CB C 13 39.0160 0.4 B 510 PRO HA H 1 4.6300 0.04 B 510 PRO HBx H 1 2.1200 0.04 B 510 PRO HBy H 1 2.4800 0.04 B 510 PRO HDx H 1 4.2550 0.04 B 510 PRO HDy H 1 4.4200 0.04 B 510 PRO HGy H 1 2.1630 0.04 B 510 PRO CA C 13 64.1500 0.4 B 510 PRO CB C 13 31.8600 0.4 B 510 PRO CD C 13 51.0280 0.4 B 510 PRO CG C 13 26.8100 0.4 B 511 GLN H H 1 7.7190 0.04 B 511 GLN HA H 1 4.3550 0.04 B 511 GLN HBx H 1 2.0110 0.04 B 511 GLN HBy H 1 2.3950 0.04 B 511 GLN HE2y H 1 7.6430 0.04 B 511 GLN HE2x H 1 6.9560 0.04 B 511 GLN HGx H 1 2.3840 0.04 B 511 GLN HGy H 1 2.5190 0.04 B 511 GLN CA C 13 55.9400 0.4 B 511 GLN CB C 13 28.4820 0.4 B 511 GLN CG C 13 34.3020 0.4 B 511 GLN N N 15 113.6970 0.4 B 511 GLN NE2 N 15 110.9250 0.4 B 512 PTR H H 1 7.3740 0.04 B 512 PTR HA H 1 4.1900 0.04 B 512 PTR HBx H 1 2.9600 0.04 B 512 PTR HBy H 1 3.2400 0.04 B 512 PTR HDx H 1 6.4600 0.04 B 512 PTR HEx H 1 7.0550 0.04 B 512 PTR CA C 13 59.4500 0.4 B 512 PTR CB C 13 38.4800 0.4 B 512 PTR CEx C 13 124.10 0.4 B 512 PTR N N 15 119.0190 0.4 B 513 PHE HA H 1 4.6190 0.04 B 513 PHE HBx H 1 2.9860 0.04 B 513 PHE HBy H 1 3.2010 0.04 B 513 PHE HDx H 1 7.2630 0.04 B 513 PHE HEx H 1 7.3640 0.04 B 513 PHE CA C 13 57.3400 0.4 B 513 PHE CB C 13 39.0480 0.4 B 513 PHE CDx C 13 132.0700 0.4 B 514 GLY HAx H 1 4.0500 0.04 B 514 GLY HAy H 1 4.1200 0.04 B 514 GLY CA C 13 43.9700 0.4 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 97 LEU H A 93 ARG O 1.0 1.3 2.3 2 2 A 93 ARG O A 97 LEU N 1.0 2.3 3.3 3 3 A 98 PHE H A 94 ALA O 1.0 1.3 2.3 4 4 A 94 ALA O A 98 PHE N 1.0 2.3 3.3 5 5 A 99 ASN H A 95 GLU O 1.0 1.5 2.8 6 6 A 95 GLU O A 99 ASN N 1.0 2.5 3.7 7 7 A 100 MET H A 96 GLU O 1.0 1.3 2.3 8 8 A 96 GLU O A 100 MET N 1.0 2.3 3.3 9 9 A 101 LEU H A 97 LEU O 1.0 1.3 2.3 10 10 A 97 LEU O A 101 LEU N 1.0 2.3 3.3 11 11 A 102 GLN H A 98 PHE O 1.0 1.3 2.3 12 12 A 98 PHE O A 102 GLN N 1.0 2.3 3.3 13 13 A 103 GLU H A 99 ASN O 1.0 1.3 2.3 14 14 A 99 ASN O A 103 GLU N 1.0 2.3 3.3 15 15 A 104 ILE H A 100 MET O 1.0 1.3 2.3 16 16 A 100 MET O A 104 ILE N 1.0 2.3 3.3 17 17 A 105 MET H A 101 LEU O 1.0 1.3 2.4 18 18 A 101 LEU O A 105 MET N 1.0 2.3 3.3 19 19 A 106 GLN H A 102 GLN O 1.0 1.3 2.4 20 20 A 102 GLN O A 106 GLN N 1.0 2.3 3.3 21 21 A 107 ASN H A 103 GLU O 1.0 1.3 2.3 22 22 A 103 GLU O A 107 ASN N 1.0 2.3 3.3 23 23 A 108 ASN H A 104 ILE O 1.0 1.3 2.4 24 24 A 104 ILE O A 108 ASN N 1.0 2.3 3.4 25 25 A 40 LEU H A 19 ASN O 1.0 1.3 2.3 26 26 A 19 ASN O A 40 LEU N 1.0 2.3 3.3 27 27 A 21 PHE H A 38 MET O 1.0 1.3 2.3 28 28 A 38 MET O A 21 PHE N 1.0 2.3 3.3 29 29 A 38 MET H A 21 PHE O 1.0 1.3 2.3 30 30 A 21 PHE O A 38 MET N 1.0 2.3 3.3 31 31 A 23 VAL H A 36 GLY O 1.0 1.3 2.4 32 32 A 36 GLY O A 23 VAL N 1.0 2.3 3.3 33 33 A 36 GLY H A 23 VAL O 1.0 1.3 2.3 34 34 A 23 VAL O A 36 GLY N 1.0 2.3 3.3 35 35 A 25 ASN H A 34 GLY O 1.0 1.4 2.5 36 36 A 34 GLY O A 25 ASN N 1.0 2.3 3.3 37 37 A 34 GLY N A 25 ASN O 1.0 2.3 3.5 38 38 A 25 ASN O A 33 LEU H 1.0 1.4 2.4 39 39 A 25 ASN O A 33 LEU N 1.0 2.3 3.3 40 40 A 41 THR H A 44 GLU O 1.0 1.4 2.5 41 41 A 44 GLU O A 41 THR N 1.0 2.3 3.4 42 42 A 46 ILE H A 39 GLU O 1.0 1.3 2.3 43 43 A 39 GLU O A 46 ILE N 1.0 2.3 3.3 44 44 A 39 GLU H A 46 ILE O 1.0 1.3 2.3 45 45 A 46 ILE O A 39 GLU N 1.0 2.3 3.3 46 46 A 48 TYR H A 37 ILE O 1.0 1.3 2.3 47 47 A 37 ILE O A 48 TYR N 1.0 2.3 3.3 48 48 A 37 ILE H A 48 TYR O 1.0 1.3 2.3 49 49 A 48 TYR O A 37 ILE N 1.0 2.3 3.3 50 50 A 59 TYR H A 43 THR O 1.0 1.5 2.7 51 51 A 43 THR O A 59 TYR N 1.0 2.5 3.7 52 52 A 45 LEU H A 57 TRP O 1.0 1.3 2.3 53 53 A 57 TRP O A 45 LEU N 1.0 2.3 3.3 54 54 A 57 TRP H A 45 LEU O 1.0 1.3 2.3 55 55 A 45 LEU O A 57 TRP N 1.0 2.3 3.3 56 56 A 47 LEU H A 55 VAL O 1.0 1.3 2.3 57 57 A 55 VAL O A 47 LEU N 1.0 2.3 3.3 58 58 A 55 VAL H A 47 LEU O 1.0 1.3 2.3 59 59 A 47 LEU O A 55 VAL N 1.0 2.3 3.3 60 60 A 49 THR H A 53 ASP O 1.0 1.4 2.5 61 61 A 53 ASP O A 49 THR N 1.0 2.4 3.5 62 62 A 64 ARG H A 75 GLU O 1.0 1.3 2.6 63 63 A 75 GLU O A 64 ARG N 1.0 2.3 3.5 64 64 A 75 GLU H A 64 ARG O 1.0 1.3 2.3 65 65 A 64 ARG O A 75 GLU N 1.0 2.3 3.3 66 66 A 66 GLY H A 73 SER O 1.0 1.3 2.3 67 67 A 73 SER O A 66 GLY N 1.0 2.3 3.3 68 68 A 73 SER H A 66 GLY O 1.0 1.4 2.6 69 69 A 66 GLY O A 73 SER N 1.0 2.3 3.3 70 70 A 68 ASP H A 71 LEU O 1.0 1.3 2.3 71 71 A 71 LEU O A 68 ASP N 1.0 2.3 3.3 72 72 A 71 LEU H A 68 ASP O 1.0 1.3 2.3 73 73 A 68 ASP O A 71 LEU N 1.0 2.3 3.3 74 74 A 76 SER H A 85 GLY O 1.0 1.3 2.4 75 75 A 85 GLY O A 76 SER N 1.0 2.3 3.3 76 76 A 74 PHE H A 87 PHE O 1.0 1.4 2.5 77 77 A 87 PHE O A 74 PHE N 1.0 2.4 3.5 78 78 A 87 PHE H A 74 PHE O 1.0 1.3 2.3 79 79 A 74 PHE O A 87 PHE N 1.0 2.3 3.3 80 80 A 72 PHE H A 89 PHE O 1.0 1.3 2.3 81 81 A 89 PHE O A 72 PHE N 1.0 2.3 3.3 82 82 A 89 PHE H A 72 PHE O 1.0 1.3 2.3 83 83 A 72 PHE O A 89 PHE N 1.0 2.3 3.3 84 84 A 91 CYS H A 70 ASN O 1.0 1.3 2.4 85 85 A 70 ASN O A 91 CYS N 1.0 2.3 3.3 86 86 A 24 ILE H A 90 LYS O 1.0 1.3 2.3 87 87 A 90 LYS O A 24 ILE N 1.0 2.3 3.3 88 88 A 90 LYS H A 24 ILE O 1.0 1.3 2.3 89 89 A 24 ILE O A 90 LYS N 1.0 2.3 3.3 90 90 A 26 VAL H A 88 ALA O 1.0 1.3 2.3 91 91 A 88 ALA O A 26 VAL N 1.0 2.3 3.3 92 92 A 64 ARG NE A 75 GLU OE1 1.0 2.3 3.7 93 93 A 59 TYR OH A 41 THR O 1.0 2.3 3.3 94 94 A 48 TYR OH A 39 GLU OE1 1.0 2.3 3.3 95 95 A 90 LYS NZ A 32 GLU OE1 1.0 2.4 3.7 96 96 A 65 TYR OH A 105 MET SD 1.0 2.3 3.5 97 97 A 57 TRP NE1 A 76 SER OG 1.0 2.3 3.5 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 17 HIS C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -105.0 -25.0 PHI 2 2 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 ASN N 1.0 -66.0 4.0 PSI 3 3 A 18 ARG C A 19 ASN N A 19 ASN CA A 19 ASN C 1.0 -130.0 -50.0 PHI 4 4 A 19 ASN N A 19 ASN CA A 19 ASN C A 20 LYS N 1.0 -57.0 31.0 PSI 5 5 A 19 ASN C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -172.0 -76.0 PHI 6 6 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 PHE N 1.0 110.0 200.0 PSI 7 7 A 20 LYS C A 21 PHE N A 21 PHE CA A 21 PHE C 1.0 -159.0 -91.0 PHI 8 8 A 21 PHE N A 21 PHE CA A 21 PHE C A 22 LYS N 1.0 107.0 167.0 PSI 9 9 A 21 PHE C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -114.0 -54.0 PHI 10 10 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 VAL N 1.0 88.0 168.0 PSI 11 11 A 22 LYS C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -171.0 -101.0 PHI 12 12 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 ILE N 1.0 134.0 194.0 PSI 13 13 A 23 VAL C A 24 ILE N A 24 ILE CA A 24 ILE C 1.0 -169.0 -93.0 PHI 14 14 A 24 ILE N A 24 ILE CA A 24 ILE C A 25 ASN N 1.0 100.0 170.0 PSI 15 15 A 24 ILE C A 25 ASN N A 25 ASN CA A 25 ASN C 1.0 -138.0 -42.0 PHI 16 16 A 25 ASN N A 25 ASN CA A 25 ASN C A 26 VAL N 1.0 90.0 170.0 PSI 17 17 A 25 ASN C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -161.0 -101.0 PHI 18 18 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 ASP N 1.0 132.0 192.0 PSI 19 19 A 26 VAL C A 27 ASP N A 27 ASP CA A 27 ASP C 1.0 -138.0 -58.0 PHI 20 20 A 27 ASP N A 27 ASP CA A 27 ASP C A 28 ASP N 1.0 129.0 209.0 PSI 21 21 A 27 ASP C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 27.0 87.0 PHI 22 22 A 28 ASP N A 28 ASP CA A 28 ASP C A 29 ASP N 1.0 7.0 67.0 PSI 23 23 A 28 ASP C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -152.0 -62.0 PHI 24 24 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 GLY N 1.0 -47.0 37.0 PSI 25 25 A 29 ASP C A 30 GLY N A 30 GLY CA A 30 GLY C 1.0 66.0 126.0 PHI 26 26 A 30 GLY N A 30 GLY CA A 30 GLY C A 31 ASN N 1.0 -31.0 29.0 PSI 27 27 A 34 GLY C A 35 SER N A 35 SER CA A 35 SER C 1.0 -168.0 -58.0 PHI 28 28 A 35 SER N A 35 SER CA A 35 SER C A 36 GLY N 1.0 119.0 179.0 PSI 29 29 A 35 SER C A 36 GLY N A 36 GLY CA A 36 GLY C 1.0 -234.0 -62.0 PHI 30 30 A 36 GLY N A 36 GLY CA A 36 GLY C A 37 ILE N 1.0 100.0 228.0 PSI 31 31 A 36 GLY C A 37 ILE N A 37 ILE CA A 37 ILE C 1.0 -153.0 -93.0 PHI 32 32 A 37 ILE N A 37 ILE CA A 37 ILE C A 38 MET N 1.0 98.0 168.0 PSI 33 33 A 37 ILE C A 38 MET N A 38 MET CA A 38 MET C 1.0 -151.0 -91.0 PHI 34 34 A 38 MET N A 38 MET CA A 38 MET C A 39 GLU N 1.0 90.0 160.0 PSI 35 35 A 38 MET C A 39 GLU N A 39 GLU CA A 39 GLU C 1.0 -162.0 -82.0 PHI 36 36 A 39 GLU N A 39 GLU CA A 39 GLU C A 40 LEU N 1.0 96.0 166.0 PSI 37 37 A 39 GLU C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -135.0 -75.0 PHI 38 38 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 THR N 1.0 87.0 159.0 PSI 39 39 A 40 LEU C A 41 THR N A 41 THR CA A 41 THR C 1.0 -138.0 -50.0 PHI 40 40 A 41 THR N A 41 THR CA A 41 THR C A 42 ASP N 1.0 144.0 204.0 PSI 41 41 A 41 THR C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -95.0 -35.0 PHI 42 42 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 THR N 1.0 -51.0 9.0 PSI 43 43 A 42 ASP C A 43 THR N A 43 THR CA A 43 THR C 1.0 -139.0 -79.0 PHI 44 44 A 43 THR N A 43 THR CA A 43 THR C A 44 GLU N 1.0 -41.0 29.0 PSI 45 45 A 43 THR C A 44 GLU N A 44 GLU CA A 44 GLU C 1.0 -173.0 -61.0 PHI 46 46 A 44 GLU N A 44 GLU CA A 44 GLU C A 45 LEU N 1.0 118.0 178.0 PSI 47 47 A 44 GLU C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -163.0 -87.0 PHI 48 48 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 ILE N 1.0 93.0 183.0 PSI 49 49 A 45 LEU C A 46 ILE N A 46 ILE CA A 46 ILE C 1.0 -142.0 -82.0 PHI 50 50 A 46 ILE N A 46 ILE CA A 46 ILE C A 47 LEU N 1.0 94.0 164.0 PSI 51 51 A 46 ILE C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -161.0 -81.0 PHI 52 52 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 TYR N 1.0 96.0 156.0 PSI 53 53 A 47 LEU C A 48 TYR N A 48 TYR CA A 48 TYR C 1.0 -144.0 -84.0 PHI 54 54 A 48 TYR N A 48 TYR CA A 48 TYR C A 49 THR N 1.0 102.0 162.0 PSI 55 55 A 48 TYR C A 49 THR N A 49 THR CA A 49 THR C 1.0 -166.0 -50.0 PHI 56 56 A 49 THR N A 49 THR CA A 49 THR C A 50 ARG N 1.0 136.0 196.0 PSI 57 57 A 49 THR C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -87.0 -27.0 PHI 58 58 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 LYS N 1.0 -66.0 4.0 PSI 59 59 A 50 ARG C A 51 LYS N A 51 LYS CA A 51 LYS C 1.0 -111.0 -39.0 PHI 60 60 A 51 LYS N A 51 LYS CA A 51 LYS C A 52 ARG N 1.0 -49.0 11.0 PSI 61 61 A 51 LYS C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -130.0 -70.0 PHI 62 62 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 ASP N 1.0 -41.0 31.0 PSI 63 63 A 54 SER C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -165.0 -81.0 PHI 64 64 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 LYS N 1.0 115.0 179.0 PSI 65 65 A 55 VAL C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -166.0 -94.0 PHI 66 66 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 TRP N 1.0 122.0 182.0 PSI 67 67 A 56 LYS C A 57 TRP N A 57 TRP CA A 57 TRP C 1.0 -170.0 -50.0 PHI 68 68 A 57 TRP N A 57 TRP CA A 57 TRP C A 58 HIS N 1.0 94.0 174.0 PSI 69 69 A 57 TRP C A 58 HIS N A 58 HIS CA A 58 HIS C 1.0 -111.0 -51.0 PHI 70 70 A 58 HIS N A 58 HIS CA A 58 HIS C A 59 TYR N 1.0 84.0 152.0 PSI 71 71 A 58 HIS C A 59 TYR N A 59 TYR CA A 59 TYR C 1.0 -89.0 -29.0 PHI 72 72 A 59 TYR N A 59 TYR CA A 59 TYR C A 60 LEU N 1.0 -66.0 -6.0 PSI 73 73 A 59 TYR C A 60 LEU N A 60 LEU CA A 60 LEU C 1.0 -97.0 -37.0 PHI 74 74 A 60 LEU N A 60 LEU CA A 60 LEU C A 61 CYS N 1.0 -47.0 13.0 PSI 75 75 A 60 LEU C A 61 CYS N A 61 CYS CA A 61 CYS C 1.0 -129.0 -69.0 PHI 76 76 A 61 CYS N A 61 CYS CA A 61 CYS C A 62 LEU N 1.0 -43.0 33.0 PSI 77 77 A 61 CYS C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -124.0 -44.0 PHI 78 78 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 ARG N 1.0 82.0 222.0 PSI 79 79 A 62 LEU C A 63 ARG N A 63 ARG CA A 63 ARG C 1.0 -115.0 -51.0 PHI 80 80 A 63 ARG N A 63 ARG CA A 63 ARG C A 64 ARG N 1.0 -82.0 -2.0 PSI 81 81 A 63 ARG C A 64 ARG N A 64 ARG CA A 64 ARG C 1.0 -170.0 -110.0 PHI 82 82 A 64 ARG N A 64 ARG CA A 64 ARG C A 65 TYR N 1.0 123.0 199.0 PSI 83 83 A 64 ARG C A 65 TYR N A 65 TYR CA A 65 TYR C 1.0 -177.0 -105.0 PHI 84 84 A 65 TYR N A 65 TYR CA A 65 TYR C A 66 GLY N 1.0 125.0 195.0 PSI 85 85 A 65 TYR C A 66 GLY N A 66 GLY CA A 66 GLY C 1.0 -225.0 -37.0 PHI 86 86 A 66 GLY N A 66 GLY CA A 66 GLY C A 67 TYR N 1.0 72.0 244.0 PSI 87 87 A 66 GLY C A 67 TYR N A 67 TYR CA A 67 TYR C 1.0 -174.0 -114.0 PHI 88 88 A 67 TYR N A 67 TYR CA A 67 TYR C A 68 ASP N 1.0 127.0 187.0 PSI 89 89 A 67 TYR C A 68 ASP N A 68 ASP CA A 68 ASP C 1.0 -210.0 -54.0 PHI 90 90 A 68 ASP N A 68 ASP CA A 68 ASP C A 69 SER N 1.0 97.0 167.0 PSI 91 91 A 69 SER C A 70 ASN N A 70 ASN CA A 70 ASN C 1.0 33.0 93.0 PHI 92 92 A 70 ASN N A 70 ASN CA A 70 ASN C A 71 LEU N 1.0 -30.0 98.0 PSI 93 93 A 70 ASN C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -160.0 -76.0 PHI 94 94 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 PHE N 1.0 115.0 205.0 PSI 95 95 A 71 LEU C A 72 PHE N A 72 PHE CA A 72 PHE C 1.0 -157.0 -97.0 PHI 96 96 A 72 PHE N A 72 PHE CA A 72 PHE C A 73 SER N 1.0 107.0 167.0 PSI 97 97 A 72 PHE C A 73 SER N A 73 SER CA A 73 SER C 1.0 -170.0 -82.0 PHI 98 98 A 73 SER N A 73 SER CA A 73 SER C A 74 PHE N 1.0 106.0 198.0 PSI 99 99 A 73 SER C A 74 PHE N A 74 PHE CA A 74 PHE C 1.0 -178.0 -88.0 PHI 100 100 A 74 PHE N A 74 PHE CA A 74 PHE C A 75 GLU N 1.0 115.0 175.0 PSI 101 101 A 74 PHE C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -141.0 -81.0 PHI 102 102 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 SER N 1.0 99.0 169.0 PSI 103 103 A 75 GLU C A 76 SER N A 76 SER CA A 76 SER C 1.0 -153.0 -83.0 PHI 104 104 A 76 SER N A 76 SER CA A 76 SER C A 77 GLY N 1.0 128.0 188.0 PSI 105 105 A 79 ARG C A 80 CYS N A 80 CYS CA A 80 CYS C 1.0 -176.0 -76.0 PHI 106 106 A 80 CYS N A 80 CYS CA A 80 CYS C A 81 GLN N 1.0 132.0 192.0 PSI 107 107 A 80 CYS C A 81 GLN N A 81 GLN CA A 81 GLN C 1.0 -91.0 -31.0 PHI 108 108 A 81 GLN N A 81 GLN CA A 81 GLN C A 82 THR N 1.0 -63.0 -3.0 PSI 109 109 A 81 GLN C A 82 THR N A 82 THR CA A 82 THR C 1.0 -139.0 -55.0 PHI 110 110 A 82 THR N A 82 THR CA A 82 THR C A 83 GLY N 1.0 -40.0 20.0 PSI 111 111 A 86 ILE C A 87 PHE N A 87 PHE CA A 87 PHE C 1.0 -159.0 -99.0 PHI 112 112 A 87 PHE N A 87 PHE CA A 87 PHE C A 88 ALA N 1.0 104.0 184.0 PSI 113 113 A 87 PHE C A 88 ALA N A 88 ALA CA A 88 ALA C 1.0 -145.0 -85.0 PHI 114 114 A 88 ALA N A 88 ALA CA A 88 ALA C A 89 PHE N 1.0 117.0 177.0 PSI 115 115 A 88 ALA C A 89 PHE N A 89 PHE CA A 89 PHE C 1.0 -164.0 -104.0 PHI 116 116 A 89 PHE N A 89 PHE CA A 89 PHE C A 90 LYS N 1.0 120.0 180.0 PSI 117 117 A 89 PHE C A 90 LYS N A 90 LYS CA A 90 LYS C 1.0 -148.0 -76.0 PHI 118 118 A 90 LYS N A 90 LYS CA A 90 LYS C A 91 CYS N 1.0 85.0 155.0 PSI 119 119 A 90 LYS C A 91 CYS N A 91 CYS CA A 91 CYS C 1.0 -160.0 -36.0 PHI 120 120 A 91 CYS N A 91 CYS CA A 91 CYS C A 92 ALA N 1.0 102.0 214.0 PSI 121 121 A 91 CYS C A 92 ALA N A 92 ALA CA A 92 ALA C 1.0 -97.0 -37.0 PHI 122 122 A 92 ALA N A 92 ALA CA A 92 ALA C A 93 ARG N 1.0 -55.0 5.0 PSI 123 123 A 92 ALA C A 93 ARG N A 93 ARG CA A 93 ARG C 1.0 -143.0 -83.0 PHI 124 124 A 93 ARG N A 93 ARG CA A 93 ARG C A 94 ALA N 1.0 -28.0 52.0 PSI 125 125 A 93 ARG C A 94 ALA N A 94 ALA CA A 94 ALA C 1.0 -88.0 -28.0 PHI 126 126 A 94 ALA N A 94 ALA CA A 94 ALA C A 95 GLU N 1.0 -68.0 -8.0 PSI 127 127 A 94 ALA C A 95 GLU N A 95 GLU CA A 95 GLU C 1.0 -91.0 -31.0 PHI 128 128 A 95 GLU N A 95 GLU CA A 95 GLU C A 96 GLU N 1.0 -72.0 -12.0 PSI 129 129 A 95 GLU C A 96 GLU N A 96 GLU CA A 96 GLU C 1.0 -97.0 -37.0 PHI 130 130 A 96 GLU N A 96 GLU CA A 96 GLU C A 97 LEU N 1.0 -73.0 -13.0 PSI 131 131 A 96 GLU C A 97 LEU N A 97 LEU CA A 97 LEU C 1.0 -94.0 -34.0 PHI 132 132 A 97 LEU N A 97 LEU CA A 97 LEU C A 98 PHE N 1.0 -73.0 -13.0 PSI 133 133 A 97 LEU C A 98 PHE N A 98 PHE CA A 98 PHE C 1.0 -93.0 -33.0 PHI 134 134 A 98 PHE N A 98 PHE CA A 98 PHE C A 99 ASN N 1.0 -73.0 -13.0 PSI 135 135 A 98 PHE C A 99 ASN N A 99 ASN CA A 99 ASN C 1.0 -92.0 -32.0 PHI 136 136 A 99 ASN N A 99 ASN CA A 99 ASN C A 100 MET N 1.0 -73.0 -13.0 PSI 137 137 A 99 ASN C A 100 MET N A 100 MET CA A 100 MET C 1.0 -93.0 -33.0 PHI 138 138 A 100 MET N A 100 MET CA A 100 MET C A 101 LEU N 1.0 -71.0 -11.0 PSI 139 139 A 100 MET C A 101 LEU N A 101 LEU CA A 101 LEU C 1.0 -92.0 -32.0 PHI 140 140 A 101 LEU N A 101 LEU CA A 101 LEU C A 102 GLN N 1.0 -73.0 -13.0 PSI 141 141 A 101 LEU C A 102 GLN N A 102 GLN CA A 102 GLN C 1.0 -93.0 -33.0 PHI 142 142 A 102 GLN N A 102 GLN CA A 102 GLN C A 103 GLU N 1.0 -67.0 -7.0 PSI 143 143 A 102 GLN C A 103 GLU N A 103 GLU CA A 103 GLU C 1.0 -96.0 -36.0 PHI 144 144 A 103 GLU N A 103 GLU CA A 103 GLU C A 104 ILE N 1.0 -71.0 -11.0 PSI 145 145 A 103 GLU C A 104 ILE N A 104 ILE CA A 104 ILE C 1.0 -94.0 -34.0 PHI 146 146 A 104 ILE N A 104 ILE CA A 104 ILE C A 105 MET N 1.0 -73.0 -13.0 PSI 147 147 A 104 ILE C A 105 MET N A 105 MET CA A 105 MET C 1.0 -94.0 -34.0 PHI 148 148 A 105 MET N A 105 MET CA A 105 MET C A 106 GLN N 1.0 -69.0 -9.0 PSI 149 149 A 105 MET C A 106 GLN N A 106 GLN CA A 106 GLN C 1.0 -110.0 -34.0 PHI 150 150 A 106 GLN N A 106 GLN CA A 106 GLN C A 107 ASN N 1.0 -65.0 -1.0 PSI 151 151 A 106 GLN C A 107 ASN N A 107 ASN CA A 107 ASN C 1.0 -132.0 -52.0 PHI 152 152 A 107 ASN N A 107 ASN CA A 107 ASN C A 108 ASN N 1.0 -58.0 38.0 PSI stop_ save_