data_nef_c30206_5u5s 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 5U5S 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 6 ILE C 2 7 ALY N 2 7 ALY C 2 8 GLN 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 1 GLY start . false 2 A 2 LYS middle . . 3 A 3 LEU middle . . 4 A 4 SER middle . . 5 A 5 GLU middle . . 6 A 6 GLN middle . . 7 A 7 LEU middle . . 8 A 8 LYS middle . . 9 A 9 HIS middle . . 10 A 10 CYS middle . . 11 A 11 ASN middle . . 12 A 12 GLY middle . false 13 A 13 ILE middle . . 14 A 14 LEU middle . . 15 A 15 LYS middle . . 16 A 16 GLU middle . . 17 A 17 LEU middle . . 18 A 18 LEU middle . . 19 A 19 SER middle . . 20 A 20 LYS middle . . 21 A 21 LYS middle . . 22 A 22 HIS middle . . 23 A 23 ALA middle . . 24 A 24 ALA middle . . 25 A 25 TYR middle . . 26 A 26 ALA middle . . 27 A 27 TRP middle . . 28 A 28 PRO middle . false 29 A 29 PHE middle . . 30 A 30 TYR middle . . 31 A 31 LYS middle . . 32 A 32 PRO middle . false 33 A 33 VAL middle . . 34 A 34 ASP middle . . 35 A 35 ALA middle . . 36 A 36 SER middle . . 37 A 37 ALA middle . . 38 A 38 LEU middle . . 39 A 39 GLY middle . false 40 A 40 LEU middle . . 41 A 41 HIS middle . . 42 A 42 ASP middle . . 43 A 43 TYR middle . . 44 A 44 HIS middle . . 45 A 45 ASP middle . . 46 A 46 ILE middle . . 47 A 47 ILE middle . . 48 A 48 LYS middle . . 49 A 49 HIS middle . . 50 A 50 PRO middle . false 51 A 51 MET middle . . 52 A 52 ASP middle . . 53 A 53 LEU middle . . 54 A 54 SER middle . . 55 A 55 THR middle . . 56 A 56 VAL middle . . 57 A 57 LYS middle . . 58 A 58 ARG middle . . 59 A 59 LYS middle . . 60 A 60 MET middle . . 61 A 61 GLU middle . . 62 A 62 ASN middle . . 63 A 63 ARG middle . . 64 A 64 ASP middle . . 65 A 65 TYR middle . . 66 A 66 ARG middle . . 67 A 67 ASP middle . . 68 A 68 ALA middle . . 69 A 69 GLN middle . . 70 A 70 GLU middle . . 71 A 71 PHE middle . . 72 A 72 ALA middle . . 73 A 73 ALA middle . . 74 A 74 ASP middle . . 75 A 75 VAL middle . . 76 A 76 ARG middle . . 77 A 77 LEU middle . . 78 A 78 MET middle . . 79 A 79 PHE middle . . 80 A 80 SER middle . . 81 A 81 ASN middle . . 82 A 82 CYS middle . . 83 A 83 TYR middle . . 84 A 84 LYS middle . . 85 A 85 TYR middle . . 86 A 86 ASN middle . . 87 A 87 PRO middle . false 88 A 88 PRO middle . false 89 A 89 ASP middle . . 90 A 90 HIS middle . . 91 A 91 ASP middle . . 92 A 92 VAL middle . . 93 A 93 VAL middle . . 94 A 94 ALA middle . . 95 A 95 MET middle . . 96 A 96 ALA middle . . 97 A 97 ARG middle . . 98 A 98 LYS middle . . 99 A 99 LEU middle . . 100 A 100 GLN middle . . 101 A 101 ASP middle . . 102 A 102 VAL middle . . 103 A 103 PHE middle . . 104 A 104 GLU middle . . 105 A 105 PHE middle . . 106 A 106 ARG middle . . 107 A 107 TYR middle . . 108 A 108 ALA middle . . 109 A 109 LYS middle . . 110 A 110 MET middle . . 111 A 111 PRO middle . false 112 A 112 ASP end . . 113 B 281 HIS start . . 114 B 282 ASN middle . . 115 B 283 LEU middle . . 116 B 284 LEU middle . . 117 B 285 ARG middle . . 118 B 286 ILE middle -OXT . 119 B 287 ALY middle -H2,-OXT . 120 B 288 GLN middle -H2 . 121 B 289 PHE middle . . 122 B 290 LEU middle . . 123 B 291 GLN middle . . 124 B 292 SER end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 LYS HA H 1 4.3320 0.0000 A 2 LYS HBx H 1 1.8100 0.0000 A 2 LYS HBy H 1 1.8680 0.0000 A 2 LYS HDy H 1 1.7170 0.0000 A 2 LYS HEy H 1 3.0130 0.0000 A 2 LYS HGx H 1 1.4350 0.0000 A 2 LYS HGy H 1 1.4780 0.0000 A 2 LYS CA C 13 56.6000 0.0000 A 2 LYS CB C 13 32.9500 0.0000 A 2 LYS CD C 13 29.0600 0.0000 A 2 LYS CE C 13 41.8400 0.0000 A 2 LYS CG C 13 24.6500 0.0000 A 3 LEU H H 1 8.3470 0.0000 A 3 LEU HA H 1 4.3970 0.0000 A 3 LEU HBx H 1 1.6070 0.0000 A 3 LEU HBy H 1 1.7120 0.0000 A 3 LEU HDx% H 1 0.9620 0.0000 A 3 LEU HDy% H 1 0.9480 0.0000 A 3 LEU HG H 1 1.7500 0.0000 A 3 LEU CA C 13 55.6200 0.0000 A 3 LEU CB C 13 42.9600 0.0000 A 3 LEU CD1 C 13 25.1400 0.0000 A 3 LEU CD2 C 13 23.9700 0.0000 A 3 LEU CG C 13 27.0000 0.0000 A 3 LEU N N 15 123.1000 0.0000 A 4 SER H H 1 8.0150 0.0000 A 4 SER HA H 1 4.3990 0.0000 A 4 SER HBx H 1 4.1220 0.0000 A 4 SER HBy H 1 4.3220 0.0000 A 4 SER CA C 13 58.4000 0.0000 A 4 SER CB C 13 63.9500 0.0000 A 4 SER N N 15 116.7700 0.0000 A 5 GLU HA H 1 4.0400 0.0000 A 5 GLU HBy H 1 2.1100 0.0000 A 5 GLU HGy H 1 2.4160 0.0000 A 5 GLU CA C 13 59.5500 0.0000 A 5 GLU CB C 13 29.1000 0.0000 A 5 GLU CG C 13 36.3000 0.0000 A 6 GLN H H 1 8.5550 0.0000 A 6 GLN HA H 1 4.0500 0.0000 A 6 GLN HBy H 1 2.2490 0.0000 A 6 GLN HE2y H 1 7.8030 0.0000 A 6 GLN HE2x H 1 6.9200 0.0000 A 6 GLN HGx H 1 2.4900 0.0000 A 6 GLN HGy H 1 2.6800 0.0000 A 6 GLN CA C 13 60.3900 0.0000 A 6 GLN CB C 13 28.3600 0.0000 A 6 GLN CG C 13 35.0300 0.0000 A 6 GLN N N 15 118.2400 0.0000 A 6 GLN NE2 N 15 112.6000 0.0000 A 7 LEU H H 1 8.0960 0.0000 A 7 LEU HA H 1 3.9890 0.0000 A 7 LEU HBx H 1 1.4050 0.0000 A 7 LEU HBy H 1 2.0070 0.0000 A 7 LEU HDx% H 1 0.8910 0.0000 A 7 LEU HDy% H 1 0.6610 0.0000 A 7 LEU HG H 1 1.5720 0.0000 A 7 LEU CA C 13 58.2800 0.0000 A 7 LEU CB C 13 41.4600 0.0000 A 7 LEU CD1 C 13 25.6600 0.0000 A 7 LEU CD2 C 13 22.5100 0.0000 A 7 LEU CG C 13 28.3400 0.0000 A 7 LEU N N 15 121.2900 0.0000 A 8 LYS H H 1 8.6690 0.0000 A 8 LYS HA H 1 4.0090 0.0000 A 8 LYS HBy H 1 1.9520 0.0000 A 8 LYS HDy H 1 1.7060 0.0000 A 8 LYS HEy H 1 2.9800 0.0000 A 8 LYS HGx H 1 1.3970 0.0000 A 8 LYS HGy H 1 1.6050 0.0000 A 8 LYS CA C 13 60.2700 0.0000 A 8 LYS CB C 13 31.9500 0.0000 A 8 LYS CD C 13 29.5100 0.0000 A 8 LYS CE C 13 41.8000 0.0000 A 8 LYS CG C 13 25.6300 0.0000 A 8 LYS N N 15 122.7100 0.0000 A 9 HIS H H 1 7.9520 0.0000 A 9 HIS HA H 1 4.3280 0.0000 A 9 HIS HBx H 1 3.2050 0.0000 A 9 HIS HBy H 1 3.5190 0.0000 A 9 HIS HD2 H 1 6.7600 0.0000 A 9 HIS HE1 H 1 7.6900 0.0000 A 9 HIS CA C 13 60.1000 0.0000 A 9 HIS CB C 13 30.9030 0.0000 A 9 HIS CD2 C 13 117.6680 0.0000 A 9 HIS CE1 C 13 139.1500 0.0000 A 9 HIS N N 15 121.1000 0.0000 A 10 CYS H H 1 8.0020 0.0000 A 10 CYS HA H 1 3.7220 0.0000 A 10 CYS HBx H 1 0.6060 0.0000 A 10 CYS HBy H 1 2.7990 0.0000 A 10 CYS CA C 13 64.6600 0.0000 A 10 CYS CB C 13 25.4500 0.0000 A 10 CYS N N 15 118.2200 0.0000 A 11 ASN H H 1 8.4770 0.0000 A 11 ASN HA H 1 4.3950 0.0000 A 11 ASN HBx H 1 2.8070 0.0000 A 11 ASN HBy H 1 2.9460 0.0000 A 11 ASN CA C 13 56.4000 0.0000 A 11 ASN CB C 13 38.4900 0.0000 A 11 ASN N N 15 120.4100 0.0000 A 12 GLY H H 1 7.9010 0.0000 A 12 GLY HAx H 1 3.8440 0.0000 A 12 GLY HAy H 1 4.0780 0.0000 A 12 GLY CA C 13 47.1500 0.0000 A 12 GLY N N 15 106.7400 0.0000 A 13 ILE H H 1 7.8690 0.0000 A 13 ILE HA H 1 3.7990 0.0000 A 13 ILE HB H 1 2.3760 0.0000 A 13 ILE HD1% H 1 1.0050 0.0000 A 13 ILE HG12 H 1 0.8060 0.0000 A 13 ILE HG13 H 1 1.8730 0.0000 A 13 ILE HG2% H 1 1.2650 0.0000 A 13 ILE CA C 13 65.8000 0.0000 A 13 ILE CB C 13 37.8700 0.0000 A 13 ILE CD1 C 13 14.0100 0.0000 A 13 ILE CG1 C 13 28.0400 0.0000 A 13 ILE CG2 C 13 17.4700 0.0000 A 13 ILE N N 15 123.6300 0.0000 A 14 LEU H H 1 8.4160 0.0000 A 14 LEU HA H 1 4.0810 0.0000 A 14 LEU HBx H 1 1.6950 0.0000 A 14 LEU HBy H 1 2.3730 0.0000 A 14 LEU HDx% H 1 1.1280 0.0000 A 14 LEU HDy% H 1 1.1010 0.0000 A 14 LEU HG H 1 1.8130 0.0000 A 14 LEU CA C 13 58.5000 0.0000 A 14 LEU CB C 13 42.1400 0.0000 A 14 LEU CD1 C 13 26.1700 0.0000 A 14 LEU CD2 C 13 23.7200 0.0000 A 14 LEU CG C 13 26.9500 0.0000 A 14 LEU N N 15 121.2900 0.0000 A 15 LYS H H 1 8.2160 0.0000 A 15 LYS HA H 1 3.9000 0.0000 A 15 LYS HBy H 1 1.9500 0.0000 A 15 LYS HDy H 1 1.7000 0.0000 A 15 LYS HEy H 1 2.9700 0.0000 A 15 LYS HGx H 1 1.4300 0.0000 A 15 LYS HGy H 1 1.6400 0.0000 A 15 LYS CA C 13 59.8300 0.0000 A 15 LYS CB C 13 32.1700 0.0000 A 15 LYS CD C 13 29.2400 0.0000 A 15 LYS CE C 13 41.8300 0.0000 A 15 LYS CG C 13 25.4100 0.0000 A 15 LYS N N 15 116.2400 0.0000 A 16 GLU H H 1 7.8550 0.0000 A 16 GLU HA H 1 4.2470 0.0000 A 16 GLU HBx H 1 2.3110 0.0000 A 16 GLU HBy H 1 2.4020 0.0000 A 16 GLU HGx H 1 2.3270 0.0000 A 16 GLU HGy H 1 2.4670 0.0000 A 16 GLU CA C 13 59.6600 0.0000 A 16 GLU CB C 13 28.5500 0.0000 A 16 GLU CG C 13 36.1200 0.0000 A 16 GLU N N 15 119.4880 0.0000 A 17 LEU H H 1 9.0080 0.0000 A 17 LEU HA H 1 4.1000 0.0000 A 17 LEU HBx H 1 1.5600 0.0000 A 17 LEU HBy H 1 2.3100 0.0000 A 17 LEU HDx% H 1 0.9510 0.0000 A 17 LEU HDy% H 1 0.8540 0.0000 A 17 LEU HG H 1 2.4400 0.0000 A 17 LEU CA C 13 58.5000 0.0000 A 17 LEU CB C 13 41.1800 0.0000 A 17 LEU CD1 C 13 25.7400 0.0000 A 17 LEU CD2 C 13 21.7200 0.0000 A 17 LEU CG C 13 26.3300 0.0000 A 17 LEU N N 15 120.8700 0.0000 A 18 LEU H H 1 7.5040 0.0000 A 18 LEU HA H 1 4.3800 0.0000 A 18 LEU HBx H 1 1.6320 0.0000 A 18 LEU HBy H 1 1.7600 0.0000 A 18 LEU HDx% H 1 0.8300 0.0000 A 18 LEU HDy% H 1 0.8030 0.0000 A 18 LEU HG H 1 1.7740 0.0000 A 18 LEU CA C 13 55.0600 0.0000 A 18 LEU CB C 13 42.6600 0.0000 A 18 LEU CD1 C 13 25.7600 0.0000 A 18 LEU CD2 C 13 23.9000 0.0000 A 18 LEU CG C 13 27.0500 0.0000 A 18 LEU N N 15 115.1800 0.0000 A 19 SER H H 1 7.7970 0.0000 A 19 SER HA H 1 4.5820 0.0000 A 19 SER HBx H 1 4.3440 0.0000 A 19 SER HBy H 1 4.4370 0.0000 A 19 SER CA C 13 58.9500 0.0000 A 19 SER CB C 13 65.3500 0.0000 A 19 SER N N 15 116.2300 0.0000 A 20 LYS H H 1 9.0100 0.0000 A 20 LYS HA H 1 4.1420 0.0000 A 20 LYS HBx H 1 1.9020 0.0000 A 20 LYS HBy H 1 1.9440 0.0000 A 20 LYS HDy H 1 1.7440 0.0000 A 20 LYS HEy H 1 3.0300 0.0000 A 20 LYS HGy H 1 1.5770 0.0000 A 20 LYS CA C 13 59.0650 0.0000 A 20 LYS CB C 13 31.9500 0.0000 A 20 LYS CD C 13 28.9400 0.0000 A 20 LYS CE C 13 42.1200 0.0000 A 20 LYS CG C 13 24.9500 0.0000 A 21 LYS H H 1 7.8040 0.0000 A 21 LYS HA H 1 3.9500 0.0000 A 21 LYS HBx H 1 1.2330 0.0000 A 21 LYS HBy H 1 1.6530 0.0000 A 21 LYS HDx H 1 1.5500 0.0000 A 21 LYS HDy H 1 1.6290 0.0000 A 21 LYS HEy H 1 2.9560 0.0000 A 21 LYS HGx H 1 0.8390 0.0000 A 21 LYS HGy H 1 0.8890 0.0000 A 21 LYS CA C 13 58.7500 0.0000 A 21 LYS CB C 13 32.6700 0.0000 A 21 LYS CD C 13 29.0700 0.0000 A 21 LYS CE C 13 41.6900 0.0000 A 21 LYS CG C 13 23.7200 0.0000 A 21 LYS N N 15 118.4200 0.0000 A 22 HIS H H 1 6.6200 0.0000 A 22 HIS HA H 1 4.6580 0.0000 A 22 HIS HBx H 1 2.7800 0.0000 A 22 HIS HBy H 1 3.3500 0.0000 A 22 HIS HD2 H 1 7.5700 0.0000 A 22 HIS HE1 H 1 8.0560 0.0000 A 22 HIS CA C 13 54.2300 0.0000 A 22 HIS CB C 13 31.5200 0.0000 A 22 HIS CD2 C 13 119.2300 0.0000 A 22 HIS CE1 C 13 139.1500 0.0000 A 22 HIS N N 15 113.5200 0.0000 A 23 ALA H H 1 7.3600 0.0000 A 23 ALA HA H 1 4.2350 0.0000 A 23 ALA HB% H 1 1.6100 0.0000 A 23 ALA CA C 13 55.6700 0.0000 A 23 ALA CB C 13 19.5400 0.0000 A 23 ALA N N 15 122.3700 0.0000 A 24 ALA H H 1 8.5250 0.0000 A 24 ALA HA H 1 4.3790 0.0000 A 24 ALA HB% H 1 1.6120 0.0000 A 24 ALA CA C 13 54.8000 0.0000 A 24 ALA CB C 13 18.6900 0.0000 A 24 ALA N N 15 117.1100 0.0000 A 25 TYR H H 1 6.9120 0.0000 A 25 TYR HA H 1 5.2300 0.0000 A 25 TYR HBx H 1 3.1500 0.0000 A 25 TYR HBy H 1 3.6600 0.0000 A 25 TYR HDx H 1 7.0500 0.0000 A 25 TYR HDy H 1 7.0500 0.0000 A 25 TYR HEx H 1 6.9910 0.0000 A 25 TYR HEy H 1 6.9910 0.0000 A 25 TYR CA C 13 54.6200 0.0000 A 25 TYR CB C 13 38.5400 0.0000 A 25 TYR CDx C 13 134.4700 0.0000 A 25 TYR CDy C 13 134.4700 0.0000 A 25 TYR CEx C 13 120.7900 0.0000 A 25 TYR CEy C 13 120.7900 0.0000 A 25 TYR N N 15 110.5700 0.0000 A 26 ALA H H 1 7.9020 0.0000 A 26 ALA HA H 1 4.7850 0.0000 A 26 ALA HB% H 1 1.5470 0.0000 A 26 ALA CA C 13 52.3300 0.0000 A 26 ALA CB C 13 21.9800 0.0000 A 26 ALA N N 15 119.1400 0.0000 A 27 TRP H H 1 6.8200 0.0000 A 27 TRP HA H 1 2.7100 0.0000 A 27 TRP HBx H 1 2.9900 0.0000 A 27 TRP HBy H 1 3.3600 0.0000 A 27 TRP HD1 H 1 7.7670 0.0000 A 27 TRP HE1 H 1 9.6520 0.0000 A 27 TRP HE3 H 1 7.1700 0.0000 A 27 TRP HH2 H 1 7.0350 0.0000 A 27 TRP HZ2 H 1 7.2470 0.0000 A 27 TRP HZ3 H 1 6.8410 0.0000 A 27 TRP CA C 13 58.9700 0.0000 A 27 TRP CB C 13 27.5000 0.0000 A 27 TRP CD1 C 13 127.8200 0.0000 A 27 TRP CE3 C 13 120.7900 0.0000 A 27 TRP CH2 C 13 124.0000 0.0000 A 27 TRP CZ3 C 13 121.5700 0.0000 A 27 TRP N N 15 115.1300 0.0000 A 27 TRP NE1 N 15 129.7400 0.0000 A 28 PRO HA H 1 3.6800 0.0000 A 28 PRO HBx H 1 -0.3060 0.0000 A 28 PRO HBy H 1 1.3600 0.0000 A 28 PRO HDx H 1 1.5000 0.0000 A 28 PRO HDy H 1 2.3900 0.0000 A 28 PRO HGx H 1 -0.7800 0.0000 A 28 PRO HGy H 1 0.9800 0.0000 A 28 PRO CA C 13 64.7800 0.0000 A 28 PRO CB C 13 30.0500 0.0000 A 28 PRO CD C 13 50.2000 0.0000 A 28 PRO CG C 13 27.3300 0.0000 A 29 PHE H H 1 7.7290 0.0000 A 29 PHE HA H 1 4.6870 0.0000 A 29 PHE HBx H 1 2.7400 0.0000 A 29 PHE HBy H 1 4.0500 0.0000 A 29 PHE HDx H 1 7.2970 0.0000 A 29 PHE HDy H 1 7.2970 0.0000 A 29 PHE HEx H 1 7.2940 0.0000 A 29 PHE HEy H 1 7.2940 0.0000 A 29 PHE HZ H 1 7.5570 0.0000 A 29 PHE CA C 13 57.0700 0.0000 A 29 PHE CB C 13 38.1000 0.0000 A 29 PHE CDx C 13 132.1200 0.0000 A 29 PHE CDy C 13 132.1200 0.0000 A 29 PHE CEx C 13 130.5600 0.0000 A 29 PHE CEy C 13 130.5600 0.0000 A 29 PHE CZ C 13 129.9700 0.0000 A 29 PHE N N 15 113.0300 0.0000 A 30 TYR H H 1 7.3920 0.0000 A 30 TYR HA H 1 4.5470 0.0000 A 30 TYR HBy H 1 3.3300 0.0000 A 30 TYR HDx H 1 7.0770 0.0000 A 30 TYR HDy H 1 7.0770 0.0000 A 30 TYR HEx H 1 6.8760 0.0000 A 30 TYR HEy H 1 6.8760 0.0000 A 30 TYR CA C 13 57.3700 0.0000 A 30 TYR CB C 13 38.0200 0.0000 A 30 TYR CDx C 13 131.1470 0.0000 A 30 TYR CDy C 13 131.1470 0.0000 A 30 TYR CEx C 13 117.4700 0.0000 A 30 TYR CEy C 13 117.4700 0.0000 A 30 TYR N N 15 117.8800 0.0000 A 31 LYS H H 1 7.6830 0.0000 A 31 LYS HA H 1 4.9700 0.0000 A 31 LYS HBx H 1 1.6300 0.0000 A 31 LYS HBy H 1 1.8700 0.0000 A 31 LYS HDx H 1 1.7600 0.0000 A 31 LYS HDy H 1 1.8300 0.0000 A 31 LYS HEy H 1 3.0600 0.0000 A 31 LYS HGy H 1 1.4930 0.0000 A 31 LYS CA C 13 53.0700 0.0000 A 31 LYS CB C 13 33.7900 0.0000 A 31 LYS CD C 13 29.0200 0.0000 A 31 LYS CE C 13 42.1200 0.0000 A 31 LYS CG C 13 24.6200 0.0000 A 31 LYS N N 15 115.1700 0.0000 A 32 PRO HA H 1 4.1300 0.0000 A 32 PRO HBx H 1 1.6280 0.0000 A 32 PRO HBy H 1 2.3000 0.0000 A 32 PRO HDx H 1 3.4910 0.0000 A 32 PRO HDy H 1 3.6780 0.0000 A 32 PRO HGx H 1 1.9800 0.0000 A 32 PRO HGy H 1 2.0400 0.0000 A 32 PRO CA C 13 62.7700 0.0000 A 32 PRO CB C 13 31.9100 0.0000 A 32 PRO CD C 13 50.5900 0.0000 A 32 PRO CG C 13 27.3500 0.0000 A 33 VAL H H 1 8.4870 0.0000 A 33 VAL HA H 1 3.3100 0.0000 A 33 VAL HB H 1 1.2900 0.0000 A 33 VAL HGx% H 1 0.7700 0.0000 A 33 VAL HGy% H 1 -0.2300 0.0000 A 33 VAL CA C 13 64.4000 0.0000 A 33 VAL CB C 13 32.2000 0.0000 A 33 VAL CG1 C 13 22.2000 0.0000 A 33 VAL CG2 C 13 19.7000 0.0000 A 33 VAL N N 15 125.2900 0.0000 A 34 ASP H H 1 8.3650 0.0000 A 34 ASP HA H 1 4.6800 0.0000 A 34 ASP HBx H 1 2.4400 0.0000 A 34 ASP HBy H 1 3.0200 0.0000 A 34 ASP CA C 13 51.6000 0.0000 A 34 ASP CB C 13 39.6000 0.0000 A 34 ASP N N 15 129.7200 0.0000 A 35 ALA H H 1 8.3870 0.0000 A 35 ALA HA H 1 3.6670 0.0000 A 35 ALA HB% H 1 1.4940 0.0000 A 35 ALA CA C 13 54.9700 0.0000 A 35 ALA CB C 13 18.8200 0.0000 A 35 ALA N N 15 125.8000 0.0000 A 36 SER H H 1 8.4000 0.0000 A 36 SER HA H 1 4.2830 0.0000 A 36 SER HBx H 1 3.9700 0.0000 A 36 SER HBy H 1 4.0040 0.0000 A 36 SER CA C 13 60.7000 0.0000 A 36 SER CB C 13 62.7000 0.0000 A 36 SER N N 15 112.6700 0.0000 A 37 ALA H H 1 7.7100 0.0000 A 37 ALA HA H 1 4.1400 0.0000 A 37 ALA HB% H 1 1.4100 0.0000 A 37 ALA CA C 13 53.9700 0.0000 A 37 ALA CB C 13 18.6700 0.0000 A 37 ALA N N 15 125.4000 0.0000 A 38 LEU H H 1 7.7500 0.0000 A 38 LEU HA H 1 4.3070 0.0000 A 38 LEU HBy H 1 1.6030 0.0000 A 38 LEU HDx% H 1 0.8570 0.0000 A 38 LEU HDy% H 1 0.9440 0.0000 A 38 LEU HG H 1 1.8050 0.0000 A 38 LEU CA C 13 55.0700 0.0000 A 38 LEU CB C 13 43.0800 0.0000 A 38 LEU CD1 C 13 25.7000 0.0000 A 38 LEU CD2 C 13 23.0600 0.0000 A 38 LEU CG C 13 27.0500 0.0000 A 38 LEU N N 15 115.9000 0.0000 A 39 GLY HAx H 1 3.7400 0.0000 A 39 GLY HAy H 1 4.0400 0.0000 A 39 GLY CA C 13 46.0800 0.0000 A 40 LEU H H 1 8.1840 0.0000 A 40 LEU HA H 1 4.7110 0.0000 A 40 LEU HBx H 1 1.6530 0.0000 A 40 LEU HBy H 1 1.7140 0.0000 A 40 LEU HDx% H 1 0.6420 0.0000 A 40 LEU HDy% H 1 0.8390 0.0000 A 40 LEU HG H 1 1.4800 0.0000 A 40 LEU CA C 13 52.0400 0.0000 A 40 LEU CB C 13 40.0050 0.0000 A 40 LEU CD1 C 13 26.0100 0.0000 A 40 LEU CD2 C 13 21.5000 0.0000 A 40 LEU CG C 13 25.9500 0.0000 A 40 LEU N N 15 120.0300 0.0000 A 41 HIS HA H 1 4.4650 0.0000 A 41 HIS HBx H 1 3.0970 0.0000 A 41 HIS HBy H 1 3.2350 0.0000 A 41 HIS HD2 H 1 7.0490 0.0000 A 41 HIS HE1 H 1 7.8190 0.0000 A 41 HIS CA C 13 58.6500 0.0000 A 41 HIS CB C 13 30.5700 0.0000 A 41 HIS CD2 C 13 119.4600 0.0000 A 41 HIS CE1 C 13 138.9600 0.0000 A 42 ASP H H 1 8.3800 0.0000 A 42 ASP HA H 1 4.7810 0.0000 A 42 ASP HBx H 1 2.5390 0.0000 A 42 ASP HBy H 1 3.1550 0.0000 A 42 ASP CA C 13 52.6400 0.0000 A 42 ASP CB C 13 40.8600 0.0000 A 42 ASP N N 15 116.6200 0.0000 A 43 TYR H H 1 7.6540 0.0000 A 43 TYR HA H 1 3.5700 0.0000 A 43 TYR HBx H 1 2.2900 0.0000 A 43 TYR HBy H 1 2.7200 0.0000 A 43 TYR HDx H 1 5.2300 0.0000 A 43 TYR HDy H 1 5.2300 0.0000 A 43 TYR HEx H 1 6.0800 0.0000 A 43 TYR HEy H 1 6.0800 0.0000 A 43 TYR CA C 13 63.6700 0.0000 A 43 TYR CB C 13 39.4900 0.0000 A 43 TYR CDx C 13 132.3100 0.0000 A 43 TYR CDy C 13 132.3100 0.0000 A 43 TYR CEx C 13 116.8800 0.0000 A 43 TYR CEy C 13 116.8800 0.0000 A 43 TYR N N 15 123.0300 0.0000 A 44 HIS H H 1 8.1600 0.0000 A 44 HIS HA H 1 4.4970 0.0000 A 44 HIS HBx H 1 2.9300 0.0000 A 44 HIS HBy H 1 3.3050 0.0000 A 44 HIS HD2 H 1 7.0890 0.0000 A 44 HIS HE1 H 1 7.8800 0.0000 A 44 HIS CA C 13 57.6000 0.0000 A 44 HIS CB C 13 29.1100 0.0000 A 44 HIS CD2 C 13 120.5900 0.0000 A 44 HIS CE1 C 13 138.1700 0.0000 A 44 HIS N N 15 113.0100 0.0000 A 45 ASP H H 1 7.3500 0.0000 A 45 ASP HA H 1 4.5070 0.0000 A 45 ASP HBx H 1 2.6950 0.0000 A 45 ASP HBy H 1 2.7770 0.0000 A 45 ASP CA C 13 55.7700 0.0000 A 45 ASP CB C 13 40.9800 0.0000 A 45 ASP N N 15 118.0010 0.0000 A 46 ILE H H 1 7.1100 0.0000 A 46 ILE HA H 1 3.8950 0.0000 A 46 ILE HB H 1 1.7320 0.0000 A 46 ILE HD1% H 1 0.8630 0.0000 A 46 ILE HG12 H 1 1.3710 0.0000 A 46 ILE HG13 H 1 1.5890 0.0000 A 46 ILE HG2% H 1 0.9390 0.0000 A 46 ILE CA C 13 61.9700 0.0000 A 46 ILE CB C 13 39.5500 0.0000 A 46 ILE CD1 C 13 11.9200 0.0000 A 46 ILE CG1 C 13 28.1600 0.0000 A 46 ILE CG2 C 13 17.2700 0.0000 A 46 ILE N N 15 119.0900 0.0000 A 47 ILE H H 1 8.5010 0.0000 A 47 ILE HA H 1 3.8680 0.0000 A 47 ILE HB H 1 1.2920 0.0000 A 47 ILE HD1% H 1 0.6860 0.0000 A 47 ILE HG12 H 1 0.5230 0.0000 A 47 ILE HG13 H 1 1.4200 0.0000 A 47 ILE HG2% H 1 0.4540 0.0000 A 47 ILE CA C 13 56.6400 0.0000 A 47 ILE CB C 13 33.6100 0.0000 A 47 ILE CD1 C 13 9.9040 0.0000 A 47 ILE CG1 C 13 24.9000 0.0000 A 47 ILE CG2 C 13 15.9870 0.0000 A 47 ILE N N 15 122.1300 0.0000 A 48 LYS H H 1 7.7690 0.0000 A 48 LYS HA H 1 4.0660 0.0000 A 48 LYS HBy H 1 1.4840 0.0000 A 48 LYS HDy H 1 1.5550 0.0000 A 48 LYS HEy H 1 2.9530 0.0000 A 48 LYS HGx H 1 1.2200 0.0000 A 48 LYS HGy H 1 1.3500 0.0000 A 48 LYS CA C 13 56.2900 0.0000 A 48 LYS CB C 13 32.3990 0.0000 A 48 LYS CD C 13 27.9900 0.0000 A 48 LYS CE C 13 41.8500 0.0000 A 48 LYS CG C 13 24.7000 0.0000 A 48 LYS N N 15 123.9900 0.0000 A 49 HIS H H 1 8.2580 0.0000 A 49 HIS HA H 1 5.0500 0.0000 A 49 HIS HBy H 1 3.0880 0.0000 A 49 HIS HD2 H 1 6.9400 0.0000 A 49 HIS CA C 13 52.5700 0.0000 A 49 HIS CB C 13 30.5300 0.0000 A 49 HIS CD2 C 13 121.1800 0.0000 A 49 HIS N N 15 116.9900 0.0000 A 50 PRO HA H 1 4.0650 0.0000 A 50 PRO HBx H 1 2.0360 0.0000 A 50 PRO HBy H 1 2.4100 0.0000 A 50 PRO HDx H 1 3.5870 0.0000 A 50 PRO HDy H 1 3.6450 0.0000 A 50 PRO HGx H 1 1.9600 0.0000 A 50 PRO HGy H 1 2.2300 0.0000 A 50 PRO CA C 13 62.9900 0.0000 A 50 PRO CB C 13 32.4300 0.0000 A 50 PRO CD C 13 50.4700 0.0000 A 50 PRO CG C 13 27.9000 0.0000 A 51 MET H H 1 8.1860 0.0000 A 51 MET HA H 1 5.0600 0.0000 A 51 MET HBx H 1 1.1800 0.0000 A 51 MET HBy H 1 2.1100 0.0000 A 51 MET HE% H 1 2.0200 0.0000 A 51 MET HGx H 1 1.8150 0.0000 A 51 MET HGy H 1 2.9900 0.0000 A 51 MET CA C 13 53.8600 0.0000 A 51 MET CB C 13 31.6500 0.0000 A 51 MET CE C 13 14.2100 0.0000 A 51 MET CG C 13 30.5000 0.0000 A 51 MET N N 15 119.0600 0.0000 A 52 ASP H H 1 7.3830 0.0000 A 52 ASP HA H 1 4.7900 0.0000 A 52 ASP HBx H 1 2.3440 0.0000 A 52 ASP HBy H 1 2.5200 0.0000 A 52 ASP CA C 13 53.3400 0.0000 A 52 ASP CB C 13 43.7700 0.0000 A 52 ASP N N 15 120.1600 0.0000 A 53 LEU H H 1 9.0700 0.0000 A 53 LEU HA H 1 3.9890 0.0000 A 53 LEU HBx H 1 1.4600 0.0000 A 53 LEU HBy H 1 2.2200 0.0000 A 53 LEU HDx% H 1 0.9620 0.0000 A 53 LEU HDy% H 1 0.6630 0.0000 A 53 LEU HG H 1 1.7520 0.0000 A 53 LEU CA C 13 58.2800 0.0000 A 53 LEU CB C 13 42.4000 0.0000 A 53 LEU CD1 C 13 25.9500 0.0000 A 53 LEU CD2 C 13 22.2700 0.0000 A 53 LEU CG C 13 26.9500 0.0000 A 53 LEU N N 15 119.3200 0.0000 A 54 SER H H 1 8.6690 0.0000 A 54 SER HA H 1 4.3370 0.0000 A 54 SER HBx H 1 4.0670 0.0000 A 54 SER HBy H 1 4.4720 0.0000 A 54 SER CA C 13 62.4600 0.0000 A 54 SER CB C 13 61.6600 0.0000 A 54 SER N N 15 118.6000 0.0000 A 55 THR H H 1 7.4180 0.0000 A 55 THR HA H 1 4.0030 0.0000 A 55 THR HB H 1 4.4260 0.0000 A 55 THR HG2% H 1 1.2070 0.0000 A 55 THR CA C 13 67.0700 0.0000 A 55 THR CB C 13 67.8000 0.0000 A 55 THR CG2 C 13 21.8000 0.0000 A 55 THR N N 15 125.4200 0.0000 A 56 VAL H H 1 7.4920 0.0000 A 56 VAL HA H 1 4.2810 0.0000 A 56 VAL HB H 1 2.1030 0.0000 A 56 VAL HGx% H 1 1.1490 0.0000 A 56 VAL HGy% H 1 0.8800 0.0000 A 56 VAL CA C 13 65.6000 0.0000 A 56 VAL CB C 13 31.9000 0.0000 A 56 VAL CG1 C 13 23.0800 0.0000 A 56 VAL CG2 C 13 22.2500 0.0000 A 56 VAL N N 15 122.7800 0.0000 A 57 LYS H H 1 8.4330 0.0000 A 57 LYS HA H 1 4.0100 0.0000 A 57 LYS HBx H 1 1.8400 0.0000 A 57 LYS HBy H 1 2.0990 0.0000 A 57 LYS HDy H 1 1.6490 0.0000 A 57 LYS HEy H 1 2.9740 0.0000 A 57 LYS HGx H 1 1.4400 0.0000 A 57 LYS HGy H 1 1.4910 0.0000 A 57 LYS CA C 13 60.0500 0.0000 A 57 LYS CB C 13 32.9000 0.0000 A 57 LYS CD C 13 29.9010 0.0000 A 57 LYS CE C 13 41.8500 0.0000 A 57 LYS CG C 13 24.6300 0.0000 A 57 LYS N N 15 118.8400 0.0000 A 58 ARG H H 1 7.8650 0.0000 A 58 ARG HA H 1 4.1070 0.0000 A 58 ARG HBx H 1 2.0000 0.0000 A 58 ARG HBy H 1 2.0400 0.0000 A 58 ARG HDy H 1 3.2550 0.0000 A 58 ARG HGx H 1 1.6580 0.0000 A 58 ARG HGy H 1 1.7780 0.0000 A 58 ARG CA C 13 59.5500 0.0000 A 58 ARG CB C 13 29.7700 0.0000 A 58 ARG CD C 13 43.3200 0.0000 A 58 ARG CG C 13 27.1400 0.0000 A 58 ARG N N 15 120.2000 0.0000 A 59 LYS H H 1 8.4360 0.0000 A 59 LYS HA H 1 4.1020 0.0000 A 59 LYS HBx H 1 0.8480 0.0000 A 59 LYS HBy H 1 1.9180 0.0000 A 59 LYS HDx H 1 1.4800 0.0000 A 59 LYS HDy H 1 1.6310 0.0000 A 59 LYS HEx H 1 2.4000 0.0000 A 59 LYS HEy H 1 2.5300 0.0000 A 59 LYS HGx H 1 1.2520 0.0000 A 59 LYS HGy H 1 1.8770 0.0000 A 59 LYS CA C 13 59.8000 0.0000 A 59 LYS CB C 13 31.7700 0.0000 A 59 LYS CD C 13 28.7700 0.0000 A 59 LYS CE C 13 41.4000 0.0000 A 59 LYS CG C 13 26.3800 0.0000 A 59 LYS N N 15 119.5350 0.0000 A 60 MET H H 1 8.8000 0.0000 A 60 MET HA H 1 4.6670 0.0000 A 60 MET HBx H 1 2.3940 0.0000 A 60 MET HBy H 1 2.5250 0.0000 A 60 MET HE% H 1 1.7380 0.0000 A 60 MET HGx H 1 2.5430 0.0000 A 60 MET HGy H 1 2.9460 0.0000 A 60 MET CA C 13 57.7400 0.0000 A 60 MET CB C 13 31.5000 0.0000 A 60 MET CE C 13 17.8100 0.0000 A 60 MET CG C 13 32.6700 0.0000 A 60 MET N N 15 119.8500 0.0000 A 61 GLU H H 1 8.8370 0.0000 A 61 GLU HA H 1 4.0170 0.0000 A 61 GLU HBx H 1 2.0540 0.0000 A 61 GLU HBy H 1 2.2180 0.0000 A 61 GLU HGx H 1 2.3570 0.0000 A 61 GLU HGy H 1 2.5640 0.0000 A 61 GLU CA C 13 59.1200 0.0000 A 61 GLU CB C 13 29.2160 0.0000 A 61 GLU CG C 13 36.8500 0.0000 A 61 GLU N N 15 121.4000 0.0000 A 62 ASN H H 1 8.1220 0.0000 A 62 ASN HA H 1 4.6400 0.0000 A 62 ASN HBx H 1 2.7030 0.0000 A 62 ASN HBy H 1 2.8840 0.0000 A 62 ASN HD2y H 1 8.0700 0.0000 A 62 ASN HD2x H 1 6.7600 0.0000 A 62 ASN CA C 13 52.8000 0.0000 A 62 ASN CB C 13 38.4800 0.0000 A 62 ASN N N 15 116.2200 0.0000 A 62 ASN ND2 N 15 113.6900 0.0000 A 63 ARG H H 1 7.8380 0.0000 A 63 ARG HA H 1 4.3390 0.0000 A 63 ARG HBx H 1 2.0170 0.0000 A 63 ARG HBy H 1 2.2080 0.0000 A 63 ARG HDx H 1 3.1910 0.0000 A 63 ARG HDy H 1 3.3010 0.0000 A 63 ARG HGx H 1 1.5930 0.0000 A 63 ARG HGy H 1 1.6350 0.0000 A 63 ARG CA C 13 56.3400 0.0000 A 63 ARG CB C 13 25.6000 0.0000 A 63 ARG CD C 13 43.2100 0.0000 A 63 ARG CG C 13 27.5900 0.0000 A 63 ARG N N 15 114.1100 0.0000 A 64 ASP H H 1 8.6270 0.0000 A 64 ASP HA H 1 4.5150 0.0000 A 64 ASP HBx H 1 2.0470 0.0000 A 64 ASP HBy H 1 2.4260 0.0000 A 64 ASP CA C 13 55.8800 0.0000 A 64 ASP CB C 13 41.7600 0.0000 A 64 ASP N N 15 116.2600 0.0000 A 65 TYR H H 1 7.1410 0.0000 A 65 TYR HA H 1 4.9070 0.0000 A 65 TYR HBx H 1 2.8910 0.0000 A 65 TYR HBy H 1 3.1240 0.0000 A 65 TYR HDx H 1 7.1830 0.0000 A 65 TYR HDy H 1 7.1830 0.0000 A 65 TYR HEx H 1 7.1400 0.0000 A 65 TYR HEy H 1 7.1400 0.0000 A 65 TYR CA C 13 57.6100 0.0000 A 65 TYR CB C 13 38.4880 0.0000 A 65 TYR CDx C 13 131.7300 0.0000 A 65 TYR CDy C 13 131.7300 0.0000 A 65 TYR N N 15 115.4900 0.0000 A 66 ARG H H 1 9.6270 0.0000 A 66 ARG HA H 1 4.2630 0.0000 A 66 ARG HBy H 1 1.9150 0.0000 A 66 ARG HDy H 1 3.2970 0.0000 A 66 ARG HGx H 1 1.7780 0.0000 A 66 ARG HGy H 1 1.8560 0.0000 A 66 ARG CA C 13 57.2000 0.0000 A 66 ARG CB C 13 30.9500 0.0000 A 66 ARG CD C 13 43.1000 0.0000 A 66 ARG CG C 13 27.6500 0.0000 A 66 ARG N N 15 123.4500 0.0000 A 67 ASP H H 1 7.6180 0.0000 A 67 ASP HA H 1 4.5530 0.0000 A 67 ASP HBx H 1 2.9810 0.0000 A 67 ASP HBy H 1 3.1540 0.0000 A 67 ASP CA C 13 52.6000 0.0000 A 67 ASP CB C 13 42.9600 0.0000 A 67 ASP N N 15 112.8500 0.0000 A 68 ALA H H 1 8.9800 0.0000 A 68 ALA HA H 1 4.2560 0.0000 A 68 ALA HB% H 1 1.4940 0.0000 A 68 ALA CA C 13 54.5000 0.0000 A 68 ALA CB C 13 20.4100 0.0000 A 68 ALA N N 15 120.7300 0.0000 A 69 GLN H H 1 8.5100 0.0000 A 69 GLN HA H 1 4.2270 0.0000 A 69 GLN HBx H 1 2.1310 0.0000 A 69 GLN HBy H 1 2.3630 0.0000 A 69 GLN HE2y H 1 7.6340 0.0000 A 69 GLN HE2x H 1 6.9120 0.0000 A 69 GLN HGy H 1 2.5380 0.0000 A 69 GLN CA C 13 59.5060 0.0000 A 69 GLN CB C 13 27.5200 0.0000 A 69 GLN CG C 13 34.7000 0.0000 A 69 GLN N N 15 118.0100 0.0000 A 69 GLN NE2 N 15 112.3000 0.0000 A 70 GLU H H 1 8.4100 0.0000 A 70 GLU HA H 1 4.1040 0.0000 A 70 GLU HBx H 1 2.4000 0.0000 A 70 GLU HBy H 1 2.4400 0.0000 A 70 GLU HGx H 1 2.4070 0.0000 A 70 GLU HGy H 1 2.8160 0.0000 A 70 GLU CA C 13 59.4900 0.0000 A 70 GLU CB C 13 31.0300 0.0000 A 70 GLU CG C 13 37.1000 0.0000 A 70 GLU N N 15 122.0400 0.0000 A 71 PHE H H 1 6.8130 0.0000 A 71 PHE HA H 1 3.3390 0.0000 A 71 PHE HBx H 1 2.1370 0.0000 A 71 PHE HBy H 1 3.2360 0.0000 A 71 PHE HDx H 1 7.1210 0.0000 A 71 PHE HDy H 1 7.1210 0.0000 A 71 PHE HEx H 1 7.1420 0.0000 A 71 PHE HEy H 1 7.1420 0.0000 A 71 PHE HZ H 1 7.0380 0.0000 A 71 PHE CA C 13 60.3300 0.0000 A 71 PHE CB C 13 38.0300 0.0000 A 71 PHE CDx C 13 133.1000 0.0000 A 71 PHE CDy C 13 133.1000 0.0000 A 71 PHE CEx C 13 129.9700 0.0000 A 71 PHE CEy C 13 129.9700 0.0000 A 71 PHE CZ C 13 128.9900 0.0000 A 71 PHE N N 15 120.9400 0.0000 A 72 ALA H H 1 8.5320 0.0000 A 72 ALA HA H 1 3.3760 0.0000 A 72 ALA HB% H 1 1.1560 0.0000 A 72 ALA CA C 13 54.7000 0.0000 A 72 ALA CB C 13 17.3300 0.0000 A 72 ALA N N 15 121.6100 0.0000 A 73 ALA H H 1 8.0270 0.0000 A 73 ALA HA H 1 4.0100 0.0000 A 73 ALA HB% H 1 1.5030 0.0000 A 73 ALA CA C 13 54.9500 0.0000 A 73 ALA CB C 13 17.6300 0.0000 A 73 ALA N N 15 117.9900 0.0000 A 74 ASP H H 1 7.1640 0.0000 A 74 ASP HA H 1 4.5240 0.0000 A 74 ASP HBx H 1 2.6410 0.0000 A 74 ASP HBy H 1 2.8000 0.0000 A 74 ASP CA C 13 56.9200 0.0000 A 74 ASP CB C 13 39.6900 0.0000 A 74 ASP N N 15 119.8500 0.0000 A 75 VAL H H 1 7.2560 0.0000 A 75 VAL HA H 1 2.6700 0.0000 A 75 VAL HB H 1 0.7730 0.0000 A 75 VAL HGx% H 1 -0.1540 0.0000 A 75 VAL HGy% H 1 -0.4560 0.0000 A 75 VAL CA C 13 67.0500 0.0000 A 75 VAL CB C 13 31.0300 0.0000 A 75 VAL CG1 C 13 21.7850 0.0000 A 75 VAL CG2 C 13 20.8300 0.0000 A 75 VAL N N 15 120.0600 0.0000 A 76 ARG H H 1 8.3720 0.0000 A 76 ARG HA H 1 3.8660 0.0000 A 76 ARG HBx H 1 1.5800 0.0000 A 76 ARG HBy H 1 1.7950 0.0000 A 76 ARG HDy H 1 3.0250 0.0000 A 76 ARG HGx H 1 1.6190 0.0000 A 76 ARG HGy H 1 1.9030 0.0000 A 76 ARG CA C 13 60.7500 0.0000 A 76 ARG CB C 13 30.2580 0.0000 A 76 ARG CD C 13 43.3000 0.0000 A 76 ARG CG C 13 29.2900 0.0000 A 76 ARG N N 15 115.3700 0.0000 A 77 LEU H H 1 7.7940 0.0000 A 77 LEU HA H 1 4.1020 0.0000 A 77 LEU HBx H 1 1.6440 0.0000 A 77 LEU HBy H 1 2.1310 0.0000 A 77 LEU HDx% H 1 0.8690 0.0000 A 77 LEU HDy% H 1 1.0090 0.0000 A 77 LEU HG H 1 1.4050 0.0000 A 77 LEU CA C 13 57.6500 0.0000 A 77 LEU CB C 13 42.1800 0.0000 A 77 LEU CD1 C 13 25.9000 0.0000 A 77 LEU CD2 C 13 23.0200 0.0000 A 77 LEU CG C 13 27.4400 0.0000 A 77 LEU N N 15 123.6300 0.0000 A 78 MET H H 1 7.2670 0.0000 A 78 MET HA H 1 3.5930 0.0000 A 78 MET HBx H 1 1.2410 0.0000 A 78 MET HBy H 1 2.1450 0.0000 A 78 MET HE% H 1 0.8650 0.0000 A 78 MET HGx H 1 1.4600 0.0000 A 78 MET HGy H 1 2.5350 0.0000 A 78 MET CA C 13 59.5700 0.0000 A 78 MET CB C 13 33.7630 0.0000 A 78 MET CE C 13 16.7800 0.0000 A 78 MET CG C 13 31.0300 0.0000 A 78 MET N N 15 117.7000 0.0000 A 79 PHE H H 1 7.0140 0.0000 A 79 PHE HA H 1 3.8840 0.0000 A 79 PHE HBx H 1 2.7600 0.0000 A 79 PHE HBy H 1 2.9500 0.0000 A 79 PHE HDx H 1 6.6800 0.0000 A 79 PHE HDy H 1 6.6800 0.0000 A 79 PHE HEx H 1 6.5260 0.0000 A 79 PHE HEy H 1 6.5260 0.0000 A 79 PHE HZ H 1 6.3650 0.0000 A 79 PHE CA C 13 60.5100 0.0000 A 79 PHE CB C 13 37.2000 0.0000 A 79 PHE CDx C 13 130.9500 0.0000 A 79 PHE CDy C 13 130.9500 0.0000 A 79 PHE CEx C 13 130.7500 0.0000 A 79 PHE CEy C 13 130.7500 0.0000 A 79 PHE CZ C 13 127.0400 0.0000 A 79 PHE N N 15 117.7000 0.0000 A 80 SER H H 1 9.0200 0.0000 A 80 SER HA H 1 4.0400 0.0000 A 80 SER HBx H 1 4.0590 0.0000 A 80 SER HBy H 1 4.1570 0.0000 A 80 SER CB C 13 62.5000 0.0000 A 80 SER N N 15 115.7250 0.0000 A 81 ASN H H 1 8.9100 0.0000 A 81 ASN HA H 1 4.3450 0.0000 A 81 ASN HBx H 1 2.5910 0.0000 A 81 ASN HBy H 1 2.9490 0.0000 A 81 ASN HD2y H 1 7.6260 0.0000 A 81 ASN HD2x H 1 6.5670 0.0000 A 81 ASN CA C 13 54.9000 0.0000 A 81 ASN CB C 13 38.0040 0.0000 A 81 ASN N N 15 119.4300 0.0000 A 82 CYS H H 1 7.0380 0.0000 A 82 CYS HA H 1 4.2110 0.0000 A 82 CYS HBx H 1 3.0790 0.0000 A 82 CYS HBy H 1 3.2200 0.0000 A 82 CYS CA C 13 62.2400 0.0000 A 82 CYS CB C 13 25.8000 0.0000 A 82 CYS N N 15 120.0300 0.0000 A 83 TYR H H 1 7.9770 0.0000 A 83 TYR HA H 1 4.7710 0.0000 A 83 TYR HBy H 1 3.0450 0.0000 A 83 TYR HDx H 1 7.0800 0.0000 A 83 TYR HDy H 1 7.0800 0.0000 A 83 TYR HEx H 1 6.9970 0.0000 A 83 TYR HEy H 1 6.9970 0.0000 A 83 TYR CA C 13 57.1200 0.0000 A 83 TYR CB C 13 37.0400 0.0000 A 83 TYR CDx C 13 132.1300 0.0000 A 83 TYR CDy C 13 132.1300 0.0000 A 83 TYR CEx C 13 118.0500 0.0000 A 83 TYR CEy C 13 118.0500 0.0000 A 83 TYR N N 15 117.8800 0.0000 A 84 LYS HBx H 1 1.8900 0.0000 A 84 LYS HBy H 1 2.0200 0.0000 A 84 LYS HDy H 1 1.7060 0.0000 A 84 LYS HEx H 1 2.9980 0.0000 A 84 LYS HEy H 1 3.0400 0.0000 A 84 LYS CB C 13 32.9700 0.0000 A 84 LYS CD C 13 29.2400 0.0000 A 84 LYS CE C 13 41.8000 0.0000 A 85 TYR H H 1 8.2710 0.0000 A 85 TYR HA H 1 4.0270 0.0000 A 85 TYR HBx H 1 2.9100 0.0000 A 85 TYR HBy H 1 2.9400 0.0000 A 85 TYR HDx H 1 6.8360 0.0000 A 85 TYR HDy H 1 6.8360 0.0000 A 85 TYR HEx H 1 6.6820 0.0000 A 85 TYR HEy H 1 6.6820 0.0000 A 85 TYR CA C 13 62.0700 0.0000 A 85 TYR CB C 13 40.5040 0.0000 A 85 TYR CDx C 13 132.7100 0.0000 A 85 TYR CDy C 13 132.7100 0.0000 A 85 TYR CEx C 13 118.2500 0.0000 A 85 TYR CEy C 13 118.2500 0.0000 A 85 TYR N N 15 116.4700 0.0000 A 86 ASN H H 1 7.4390 0.0000 A 86 ASN HA H 1 4.7420 0.0000 A 86 ASN HBx H 1 2.1800 0.0000 A 86 ASN HBy H 1 2.6410 0.0000 A 86 ASN CA C 13 52.1800 0.0000 A 86 ASN CB C 13 40.7100 0.0000 A 86 ASN N N 15 113.7500 0.0000 A 87 PRO HA H 1 4.7930 0.0000 A 87 PRO HBy H 1 2.1700 0.0000 A 87 PRO HDx H 1 3.5850 0.0000 A 87 PRO HDy H 1 4.0590 0.0000 A 87 PRO HGx H 1 2.2100 0.0000 A 87 PRO HGy H 1 2.2700 0.0000 A 87 PRO CA C 13 61.6300 0.0000 A 87 PRO CB C 13 31.2200 0.0000 A 87 PRO CD C 13 50.4500 0.0000 A 87 PRO CG C 13 28.0700 0.0000 A 88 PRO HA H 1 4.3330 0.0000 A 88 PRO HBx H 1 2.1800 0.0000 A 88 PRO HBy H 1 2.5200 0.0000 A 88 PRO HDy H 1 3.8270 0.0000 A 88 PRO HGx H 1 2.0590 0.0000 A 88 PRO HGy H 1 2.1050 0.0000 A 88 PRO CA C 13 64.8700 0.0000 A 88 PRO CB C 13 31.1600 0.0000 A 88 PRO CD C 13 50.4200 0.0000 A 88 PRO CG C 13 27.4000 0.0000 A 89 ASP H H 1 8.2440 0.0000 A 89 ASP HA H 1 4.6390 0.0000 A 89 ASP HBx H 1 2.6330 0.0000 A 89 ASP HBy H 1 2.9040 0.0000 A 89 ASP CA C 13 52.8200 0.0000 A 89 ASP CB C 13 39.6990 0.0000 A 89 ASP N N 15 114.1100 0.0000 A 90 HIS H H 1 7.9190 0.0000 A 90 HIS HA H 1 4.3170 0.0000 A 90 HIS HBx H 1 3.0200 0.0000 A 90 HIS HBy H 1 3.2650 0.0000 A 90 HIS HD2 H 1 7.1610 0.0000 A 90 HIS HE1 H 1 7.4900 0.0000 A 90 HIS CA C 13 58.6500 0.0000 A 90 HIS CB C 13 32.7700 0.0000 A 90 HIS CD2 C 13 118.0500 0.0000 A 90 HIS CE1 C 13 137.5000 0.0000 A 90 HIS N N 15 122.5150 0.0000 A 91 ASP H H 1 8.9170 0.0000 A 91 ASP HA H 1 4.5240 0.0000 A 91 ASP HBx H 1 2.6250 0.0000 A 91 ASP HBy H 1 2.7980 0.0000 A 91 ASP CA C 13 58.1000 0.0000 A 91 ASP CB C 13 40.6600 0.0000 A 91 ASP N N 15 130.9990 0.0000 A 92 VAL H H 1 7.2990 0.0000 A 92 VAL HA H 1 4.1950 0.0000 A 92 VAL HB H 1 2.2000 0.0000 A 92 VAL HGx% H 1 0.9490 0.0000 A 92 VAL HGy% H 1 0.7750 0.0000 A 92 VAL CA C 13 65.3500 0.0000 A 92 VAL CB C 13 31.6500 0.0000 A 92 VAL CG1 C 13 23.1100 0.0000 A 92 VAL CG2 C 13 21.7300 0.0000 A 93 VAL H H 1 7.3520 0.0000 A 93 VAL HA H 1 3.9520 0.0000 A 93 VAL HB H 1 2.4670 0.0000 A 93 VAL HGx% H 1 1.2810 0.0000 A 93 VAL HGy% H 1 1.1860 0.0000 A 93 VAL CA C 13 66.5600 0.0000 A 93 VAL CB C 13 31.5500 0.0000 A 93 VAL CG1 C 13 25.5200 0.0000 A 93 VAL CG2 C 13 21.7700 0.0000 A 93 VAL N N 15 122.4300 0.0000 A 94 ALA H H 1 7.1700 0.0000 A 94 ALA HA H 1 4.2030 0.0000 A 94 ALA HB% H 1 1.6160 0.0000 A 94 ALA CA C 13 54.9400 0.0000 A 94 ALA CB C 13 17.7800 0.0000 A 94 ALA N N 15 122.3700 0.0000 A 95 MET H H 1 8.0330 0.0000 A 95 MET HA H 1 4.0940 0.0000 A 95 MET HBx H 1 2.3200 0.0000 A 95 MET HBy H 1 3.1950 0.0000 A 95 MET HE% H 1 2.1830 0.0000 A 95 MET HGx H 1 2.7120 0.0000 A 95 MET HGy H 1 3.0350 0.0000 A 95 MET CA C 13 60.5400 0.0000 A 95 MET CB C 13 32.3800 0.0000 A 95 MET CE C 13 19.0500 0.0000 A 95 MET CG C 13 33.9400 0.0000 A 95 MET N N 15 118.9000 0.0000 A 96 ALA H H 1 8.6100 0.0000 A 96 ALA HA H 1 3.8890 0.0000 A 96 ALA HB% H 1 1.9130 0.0000 A 96 ALA CA C 13 55.4500 0.0000 A 96 ALA CB C 13 20.0200 0.0000 A 96 ALA N N 15 121.2900 0.0000 A 97 ARG H H 1 8.4220 0.0000 A 97 ARG HA H 1 3.9250 0.0000 A 97 ARG HBy H 1 1.8400 0.0000 A 97 ARG HDy H 1 3.0300 0.0000 A 97 ARG HGx H 1 1.7660 0.0000 A 97 ARG HGy H 1 1.8910 0.0000 A 97 ARG CA C 13 58.8300 0.0000 A 97 ARG CB C 13 29.7700 0.0000 A 97 ARG CD C 13 42.8400 0.0000 A 97 ARG CG C 13 27.6200 0.0000 A 97 ARG N N 15 115.9700 0.0000 A 98 LYS H H 1 7.4300 0.0000 A 98 LYS HA H 1 3.8990 0.0000 A 98 LYS HBx H 1 1.1040 0.0000 A 98 LYS HBy H 1 1.5730 0.0000 A 98 LYS HDx H 1 1.1080 0.0000 A 98 LYS HDy H 1 1.2830 0.0000 A 98 LYS HEy H 1 2.6550 0.0000 A 98 LYS HGx H 1 0.8560 0.0000 A 98 LYS HGy H 1 1.2720 0.0000 A 98 LYS CA C 13 59.0600 0.0000 A 98 LYS CB C 13 32.2800 0.0000 A 98 LYS CD C 13 29.0400 0.0000 A 98 LYS CE C 13 41.6400 0.0000 A 98 LYS CG C 13 25.0700 0.0000 A 98 LYS N N 15 118.9500 0.0000 A 99 LEU H H 1 8.3200 0.0000 A 99 LEU HA H 1 4.1690 0.0000 A 99 LEU HBx H 1 1.6640 0.0000 A 99 LEU HBy H 1 2.1240 0.0000 A 99 LEU HDx% H 1 1.1020 0.0000 A 99 LEU HDy% H 1 1.2090 0.0000 A 99 LEU HG H 1 1.9400 0.0000 A 99 LEU CA C 13 56.9300 0.0000 A 99 LEU CB C 13 42.1800 0.0000 A 99 LEU CD1 C 13 25.8500 0.0000 A 99 LEU CD2 C 13 24.8500 0.0000 A 99 LEU CG C 13 26.9200 0.0000 A 99 LEU N N 15 120.9300 0.0000 A 100 GLN H H 1 9.2200 0.0000 A 100 GLN HA H 1 3.3810 0.0000 A 100 GLN HBx H 1 0.0660 0.0000 A 100 GLN HBy H 1 1.5970 0.0000 A 100 GLN HGx H 1 2.0730 0.0000 A 100 GLN HGy H 1 2.5380 0.0000 A 100 GLN CA C 13 59.7900 0.0000 A 100 GLN CB C 13 25.1700 0.0000 A 100 GLN CG C 13 34.7300 0.0000 A 100 GLN N N 15 121.6200 0.0000 A 101 ASP H H 1 7.8800 0.0000 A 101 ASP HBy H 1 2.7870 0.0000 A 101 ASP CB C 13 40.2650 0.0000 A 101 ASP N N 15 120.2000 0.0000 A 102 VAL H H 1 7.0020 0.0000 A 102 VAL HA H 1 3.6400 0.0000 A 102 VAL HB H 1 2.2700 0.0000 A 102 VAL HGx% H 1 1.0580 0.0000 A 102 VAL HGy% H 1 0.6510 0.0000 A 102 VAL CB C 13 31.6200 0.0000 A 102 VAL CG1 C 13 21.8900 0.0000 A 102 VAL CG2 C 13 20.4400 0.0000 A 103 PHE H H 1 8.2860 0.0000 A 103 PHE HA H 1 3.9830 0.0000 A 103 PHE HBx H 1 3.2180 0.0000 A 103 PHE HBy H 1 3.3540 0.0000 A 103 PHE HDx H 1 7.2220 0.0000 A 103 PHE HDy H 1 7.2220 0.0000 A 103 PHE HEx H 1 7.1480 0.0000 A 103 PHE HEy H 1 7.1480 0.0000 A 103 PHE HZ H 1 6.4700 0.0000 A 103 PHE CA C 13 62.4700 0.0000 A 103 PHE CB C 13 39.4500 0.0000 A 103 PHE CDx C 13 132.1200 0.0000 A 103 PHE CDy C 13 132.1200 0.0000 A 103 PHE CEx C 13 130.9500 0.0000 A 103 PHE CEy C 13 130.9500 0.0000 A 103 PHE CZ C 13 129.1900 0.0000 A 103 PHE N N 15 118.0600 0.0000 A 104 GLU H H 1 9.5660 0.0000 A 104 GLU HA H 1 3.7900 0.0000 A 104 GLU HBx H 1 2.1600 0.0000 A 104 GLU HBy H 1 2.2100 0.0000 A 104 GLU HGx H 1 2.5500 0.0000 A 104 GLU HGy H 1 2.8500 0.0000 A 104 GLU CA C 13 58.3700 0.0000 A 104 GLU CB C 13 28.5000 0.0000 A 104 GLU CG C 13 35.8000 0.0000 A 104 GLU N N 15 117.3400 0.0000 A 105 PHE H H 1 7.9000 0.0000 A 105 PHE HDx H 1 7.2810 0.0000 A 105 PHE HDy H 1 7.2810 0.0000 A 105 PHE HEx H 1 7.0700 0.0000 A 105 PHE CEx C 13 132.1200 0.0000 A 106 ARG H H 1 7.7500 0.0000 A 106 ARG HA H 1 4.0030 0.0000 A 106 ARG HBx H 1 1.8320 0.0000 A 106 ARG HBy H 1 1.9330 0.0000 A 106 ARG HDx H 1 3.2100 0.0000 A 106 ARG HDy H 1 3.3100 0.0000 A 106 ARG HGx H 1 1.7400 0.0000 A 106 ARG HGy H 1 2.0500 0.0000 A 106 ARG CA C 13 57.2600 0.0000 A 106 ARG CB C 13 30.2800 0.0000 A 106 ARG CD C 13 41.6600 0.0000 A 106 ARG CG C 13 27.5900 0.0000 A 106 ARG N N 15 115.1600 0.0000 A 107 TYR H H 1 9.3500 0.0000 A 107 TYR HA H 1 3.8690 0.0000 A 107 TYR HBx H 1 2.1830 0.0000 A 107 TYR HBy H 1 2.4370 0.0000 A 107 TYR HDx H 1 6.9620 0.0000 A 107 TYR HDy H 1 6.9620 0.0000 A 107 TYR HEx H 1 6.8460 0.0000 A 107 TYR HEy H 1 6.8460 0.0000 A 107 TYR CA C 13 62.0000 0.0000 A 107 TYR CB C 13 38.2400 0.0000 A 107 TYR CDx C 13 132.5100 0.0000 A 107 TYR CDy C 13 132.5100 0.0000 A 107 TYR CEx C 13 119.0300 0.0000 A 107 TYR CEy C 13 119.0300 0.0000 A 107 TYR N N 15 123.9500 0.0000 A 108 ALA H H 1 7.5410 0.0000 A 108 ALA HA H 1 4.0480 0.0000 A 108 ALA HB% H 1 1.5720 0.0000 A 108 ALA CA C 13 53.7400 0.0000 A 108 ALA N N 15 118.7800 0.0000 A 109 LYS H H 1 6.8470 0.0000 A 109 LYS HA H 1 4.2320 0.0000 A 109 LYS HBx H 1 1.7050 0.0000 A 109 LYS HBy H 1 2.0280 0.0000 A 109 LYS HDy H 1 1.4900 0.0000 A 109 LYS HEx H 1 2.7490 0.0000 A 109 LYS HEy H 1 2.8800 0.0000 A 109 LYS HGy H 1 1.3710 0.0000 A 109 LYS CA C 13 54.4000 0.0000 A 109 LYS CB C 13 31.4500 0.0000 A 109 LYS CD C 13 28.3200 0.0000 A 109 LYS CE C 13 42.1200 0.0000 A 109 LYS CG C 13 24.4000 0.0000 A 109 LYS N N 15 114.8200 0.0000 A 110 MET H H 1 6.9140 0.0000 A 110 MET HA H 1 3.2670 0.0000 A 110 MET HBx H 1 1.6890 0.0000 A 110 MET HBy H 1 1.7420 0.0000 A 110 MET HE% H 1 1.7560 0.0000 A 110 MET HGx H 1 2.1600 0.0000 A 110 MET HGy H 1 2.4880 0.0000 A 110 MET CA C 13 53.7500 0.0000 A 110 MET CB C 13 33.6500 0.0000 A 110 MET CE C 13 16.2100 0.0000 A 110 MET CG C 13 29.7700 0.0000 A 110 MET N N 15 122.2200 0.0000 A 111 PRO HA H 1 4.3100 0.0000 A 111 PRO HBx H 1 1.8910 0.0000 A 111 PRO HBy H 1 2.2490 0.0000 A 111 PRO HDx H 1 3.0920 0.0000 A 111 PRO HDy H 1 3.3030 0.0000 A 111 PRO HGx H 1 1.8150 0.0000 A 111 PRO HGy H 1 1.9050 0.0000 A 111 PRO CA C 13 63.2000 0.0000 A 111 PRO CB C 13 32.0400 0.0000 A 111 PRO CD C 13 50.8200 0.0000 A 111 PRO CG C 13 27.3300 0.0000 A 112 ASP H H 1 7.8950 0.0000 A 112 ASP HA H 1 4.2570 0.0000 A 112 ASP HBx H 1 2.4960 0.0000 A 112 ASP HBy H 1 2.6070 0.0000 A 112 ASP CA C 13 55.9100 0.0000 A 112 ASP CB C 13 42.3000 0.0000 A 112 ASP N N 15 126.2000 0.0000 B 281 HIS HA H 1 3.8810 0.0000 B 281 HIS HBy H 1 2.9700 0.0000 B 281 HIS HD2 H 1 6.9680 0.0000 B 281 HIS HE1 H 1 7.7380 0.0000 B 281 HIS CA C 13 56.7180 0.0000 B 281 HIS CB C 13 33.5300 0.0000 B 281 HIS CD2 C 13 119.8600 0.0000 B 281 HIS CE1 C 13 138.8230 0.0000 B 282 ASN HA H 1 4.6800 0.0000 B 282 ASN HBx H 1 2.6940 0.0000 B 282 ASN HBy H 1 2.7930 0.0000 B 282 ASN CA C 13 53.1300 0.0000 B 282 ASN CB C 13 38.8700 0.0000 B 283 LEU HA H 1 4.3900 0.0000 B 283 LEU HBy H 1 1.5600 0.0000 B 283 LEU HDx% H 1 0.9020 0.0000 B 283 LEU HDy% H 1 0.8450 0.0000 B 283 LEU HG H 1 1.5300 0.0000 B 283 LEU CB C 13 42.3900 0.0000 B 283 LEU CD1 C 13 24.8700 0.0000 B 283 LEU CD2 C 13 23.4600 0.0000 B 283 LEU CG C 13 26.9000 0.0000 B 284 LEU HA H 1 4.3300 0.0000 B 284 LEU HBy H 1 1.6600 0.0000 B 284 LEU HDx% H 1 0.9020 0.0000 B 284 LEU HDy% H 1 0.8450 0.0000 B 284 LEU HG H 1 1.6200 0.0000 B 284 LEU CB C 13 42.3900 0.0000 B 284 LEU CG C 13 26.9000 0.0000 B 285 ARG HA H 1 4.3400 0.0000 B 285 ARG HBx H 1 1.7440 0.0000 B 285 ARG HBy H 1 1.8300 0.0000 B 285 ARG HDy H 1 3.2030 0.0000 B 285 ARG HGx H 1 1.5650 0.0000 B 285 ARG HGy H 1 1.6240 0.0000 B 285 ARG CA C 13 56.2600 0.0000 B 285 ARG CB C 13 30.6400 0.0000 B 285 ARG CD C 13 43.3500 0.0000 B 285 ARG CG C 13 27.1000 0.0000 B 286 ILE HA H 1 4.2460 0.0000 B 286 ILE HB H 1 1.8700 0.0000 B 286 ILE HD1% H 1 0.8900 0.0000 B 286 ILE HG12 H 1 1.2200 0.0000 B 286 ILE HG13 H 1 1.4800 0.0000 B 286 ILE HG2% H 1 0.9400 0.0000 B 286 ILE CA C 13 61.2900 0.0000 B 286 ILE CB C 13 38.6580 0.0000 B 286 ILE CD1 C 13 12.8100 0.0000 B 286 ILE CG1 C 13 27.3660 0.0000 B 286 ILE CG2 C 13 17.5070 0.0000 B 287 ALY H H 1 8.2500 0.0000 B 287 ALY HBy H 1 1.6740 0.0000 B 287 ALY HCA H 1 4.2050 0.0000 B 287 ALY HDx H 1 1.4730 0.0000 B 287 ALY HEx H 1 2.9700 0.0000 B 287 ALY HEy H 1 3.1070 0.0000 B 287 ALY HGy H 1 1.2880 0.0000 B 287 ALY HZ H 1 7.9190 0.0000 B 287 ALY CA C 13 56.0600 0.0000 B 287 ALY CB C 13 33.0700 0.0000 B 287 ALY CD C 13 30.4400 0.0000 B 287 ALY CE C 13 42.0000 0.0000 B 287 ALY CG C 13 25.2200 0.0000 B 288 GLN HA H 1 4.3300 0.0000 B 288 GLN HBx H 1 1.8830 0.0000 B 288 GLN HBy H 1 1.9140 0.0000 B 288 GLN HGy H 1 2.2140 0.0000 B 288 GLN CB C 13 29.5600 0.0000 B 288 GLN CG C 13 33.7280 0.0000 B 289 PHE H H 1 8.1580 0.0000 B 289 PHE HA H 1 4.7300 0.0000 B 289 PHE HBx H 1 3.0700 0.0000 B 289 PHE HBy H 1 3.2400 0.0000 B 289 PHE HDx H 1 7.3380 0.0000 B 289 PHE HDy H 1 7.3380 0.0000 B 289 PHE HEx H 1 7.2410 0.0000 B 289 PHE HEy H 1 7.2410 0.0000 B 289 PHE HZ H 1 7.2670 0.0000 B 289 PHE CA C 13 57.6000 0.0000 B 289 PHE CB C 13 39.4100 0.0000 B 289 PHE CDx C 13 131.5500 0.0000 B 289 PHE CDy C 13 131.5500 0.0000 B 289 PHE CEx C 13 131.8900 0.0000 B 289 PHE CEy C 13 131.8900 0.0000 B 289 PHE CZ C 13 129.9040 0.0000 B 290 LEU HA H 1 4.3000 0.0000 B 290 LEU HBy H 1 1.5600 0.0000 B 290 LEU HDx% H 1 0.8800 0.0000 B 290 LEU HDy% H 1 0.8350 0.0000 B 290 LEU HG H 1 2.5300 0.0000 B 290 LEU CB C 13 42.3900 0.0000 B 290 LEU CD1 C 13 24.8700 0.0000 B 290 LEU CD2 C 13 23.4600 0.0000 B 290 LEU CG C 13 26.9000 0.0000 B 291 GLN HA H 1 4.3480 0.0000 B 291 GLN HBx H 1 1.9700 0.0000 B 291 GLN HBy H 1 2.1300 0.0000 B 291 GLN HGy H 1 2.3600 0.0000 B 291 GLN CA C 13 55.8300 0.0000 B 291 GLN CB C 13 29.7200 0.0000 B 291 GLN CG C 13 33.9060 0.0000 B 292 SER H H 1 7.9980 0.0000 B 292 SER HA H 1 4.2390 0.0000 B 292 SER HBx H 1 3.6490 0.0000 B 292 SER HBy H 1 3.8320 0.0000 B 292 SER CA C 13 59.9590 0.0000 B 292 SER CB C 13 66.0150 0.0000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 8 LYS H A 4 SER O 1.0 1.3 2.3 2 2 A 4 SER O A 8 LYS N 1.0 2.3 3.3 3 3 A 9 HIS H A 5 GLU O 1.0 1.3 2.3 4 4 A 5 GLU O A 9 HIS N 1.0 2.3 3.3 5 5 A 10 CYS H A 6 GLN O 1.0 1.3 2.3 6 6 A 6 GLN O A 10 CYS N 1.0 2.3 3.3 7 7 A 11 ASN H A 7 LEU O 1.0 1.3 2.3 8 8 A 7 LEU O A 11 ASN N 1.0 2.3 3.3 9 9 A 12 GLY H A 8 LYS O 1.0 1.3 2.3 10 10 A 8 LYS O A 12 GLY N 1.0 2.3 3.3 11 11 A 13 ILE H A 9 HIS O 1.0 1.3 2.3 12 12 A 9 HIS O A 13 ILE N 1.0 2.3 3.3 13 13 A 14 LEU H A 10 CYS O 1.0 1.3 2.3 14 14 A 10 CYS O A 14 LEU N 1.0 2.3 3.3 15 15 A 15 LYS H A 11 ASN O 1.0 1.3 2.3 16 16 A 11 ASN O A 15 LYS N 1.0 2.3 3.3 17 17 A 16 GLU H A 12 GLY O 1.0 1.3 2.3 18 18 A 12 GLY O A 16 GLU N 1.0 2.3 3.3 19 19 A 17 LEU H A 13 ILE O 1.0 1.3 2.3 20 20 A 13 ILE O A 17 LEU N 1.0 2.3 3.3 21 21 A 18 LEU H A 14 LEU O 1.0 1.3 2.3 22 22 A 14 LEU O A 18 LEU N 1.0 2.3 3.3 23 23 A 19 SER H A 15 LYS O 1.0 1.3 2.3 24 24 A 15 LYS O A 19 SER N 1.0 2.3 3.3 25 25 A 23 ALA H A 19 SER O 1.0 1.3 2.3 26 26 A 19 SER O A 23 ALA N 1.0 2.3 3.3 27 27 A 26 ALA N A 22 HIS O 1.0 2.3 3.3 28 28 A 22 HIS O A 25 TYR N 1.0 2.3 3.3 29 29 A 27 TRP H A 23 ALA O 1.0 1.3 2.3 30 30 A 23 ALA O A 27 TRP N 1.0 2.3 3.3 31 31 A 30 TYR H A 26 ALA O 1.0 1.3 2.5 32 32 A 26 ALA O A 30 TYR N 1.0 2.3 3.5 33 33 A 38 LEU H A 34 ASP O 1.0 1.5 2.5 34 34 A 34 ASP O A 38 LEU N 1.0 2.5 3.5 35 35 A 46 ILE H A 42 ASP O 1.0 1.3 2.5 36 36 A 42 ASP O A 46 ILE N 1.0 2.3 3.5 37 37 A 47 ILE H A 43 TYR O 1.0 1.3 2.4 38 38 A 43 TYR O A 47 ILE N 1.0 2.3 3.4 39 39 A 56 VAL H A 52 ASP O 1.0 1.3 2.3 40 40 A 52 ASP O A 56 VAL N 1.0 2.3 3.3 41 41 A 57 LYS H A 53 LEU O 1.0 1.3 2.3 42 42 A 53 LEU O A 57 LYS N 1.0 2.3 3.3 43 43 A 58 ARG H A 54 SER O 1.0 1.3 2.3 44 44 A 54 SER O A 58 ARG N 1.0 2.3 3.3 45 45 A 59 LYS H A 55 THR O 1.0 1.3 2.3 46 46 A 55 THR O A 59 LYS N 1.0 2.3 3.3 47 47 A 60 MET H A 56 VAL O 1.0 1.3 2.3 48 48 A 56 VAL O A 60 MET N 1.0 2.3 3.3 49 49 A 61 GLU H A 57 LYS O 1.0 1.3 2.3 50 50 A 57 LYS O A 61 GLU N 1.0 2.3 3.3 51 51 A 62 ASN H A 58 ARG O 1.0 1.3 2.3 52 52 A 58 ARG O A 62 ASN N 1.0 2.3 3.3 53 53 A 64 ASP H A 59 LYS O 1.0 1.3 2.3 54 54 A 59 LYS O A 64 ASP N 1.0 2.3 3.3 55 55 A 71 PHE H A 67 ASP O 1.0 1.3 2.4 56 56 A 67 ASP O A 71 PHE N 1.0 2.3 3.3 57 57 A 72 ALA H A 68 ALA O 1.0 1.3 2.3 58 58 A 68 ALA O A 72 ALA N 1.0 2.3 3.3 59 59 A 73 ALA H A 69 GLN O 1.0 1.3 2.3 60 60 A 69 GLN O A 73 ALA N 1.0 2.3 3.3 61 61 A 74 ASP H A 70 GLU O 1.0 1.3 2.3 62 62 A 70 GLU O A 74 ASP N 1.0 2.3 3.3 63 63 A 75 VAL H A 71 PHE O 1.0 1.3 2.3 64 64 A 71 PHE O A 75 VAL N 1.0 2.3 3.3 65 65 A 76 ARG H A 72 ALA O 1.0 1.3 2.3 66 66 A 72 ALA O A 76 ARG N 1.0 2.3 3.3 67 67 A 77 LEU H A 73 ALA O 1.0 1.3 2.3 68 68 A 73 ALA O A 77 LEU N 1.0 2.3 3.3 69 69 A 78 MET H A 74 ASP O 1.0 1.3 2.3 70 70 A 74 ASP O A 78 MET N 1.0 2.3 3.3 71 71 A 79 PHE H A 75 VAL O 1.0 1.3 2.3 72 72 A 75 VAL O A 79 PHE N 1.0 2.3 3.3 73 73 A 80 SER H A 76 ARG O 1.0 1.3 2.3 74 74 A 76 ARG O A 80 SER N 1.0 2.3 3.3 75 75 A 81 ASN H A 77 LEU O 1.0 1.3 2.3 76 76 A 77 LEU O A 81 ASN N 1.0 2.3 3.3 77 77 A 82 CYS H A 78 MET O 1.0 1.3 2.3 78 78 A 78 MET O A 82 CYS N 1.0 2.3 3.3 79 79 A 83 TYR H A 79 PHE O 1.0 1.3 2.3 80 80 A 79 PHE O A 83 TYR N 1.0 2.3 3.3 81 81 A 84 LYS H A 80 SER O 1.0 1.3 2.3 82 82 A 80 SER O A 84 LYS N 1.0 2.3 3.3 83 83 A 85 TYR H A 81 ASN O 1.0 1.3 2.3 84 84 A 81 ASN O A 85 TYR N 1.0 2.3 3.3 85 85 A 86 ASN H A 82 CYS O 1.0 1.3 2.3 86 86 A 82 CYS O A 86 ASN N 1.0 2.8 3.3 87 87 A 95 MET H A 91 ASP O 1.0 1.3 2.3 88 88 A 91 ASP O A 95 MET N 1.0 2.3 3.3 89 89 A 96 ALA H A 92 VAL O 1.0 1.3 2.3 90 90 A 92 VAL O A 96 ALA N 1.0 2.3 3.3 91 91 A 97 ARG H A 93 VAL O 1.0 1.3 2.3 92 92 A 93 VAL O A 97 ARG N 1.0 2.3 3.3 93 93 A 98 LYS H A 94 ALA O 1.0 1.3 2.3 94 94 A 94 ALA O A 98 LYS N 1.0 2.3 3.3 95 95 A 99 LEU H A 95 MET O 1.0 1.3 2.3 96 96 A 95 MET O A 99 LEU N 1.0 2.3 3.3 97 97 A 100 GLN H A 96 ALA O 1.0 1.5 2.5 98 98 A 96 ALA O A 100 GLN N 1.0 2.3 3.3 99 99 A 101 ASP H A 97 ARG O 1.0 1.3 2.3 100 100 A 97 ARG O A 101 ASP N 1.0 2.3 3.3 101 101 A 102 VAL H A 98 LYS O 1.0 1.3 2.3 102 102 A 98 LYS O A 102 VAL N 1.0 2.3 3.3 103 103 A 103 PHE H A 99 LEU O 1.0 1.5 2.5 104 104 A 99 LEU O A 103 PHE N 1.0 2.3 3.3 105 105 A 104 GLU H A 100 GLN O 1.0 1.3 2.3 106 106 A 100 GLN O A 104 GLU N 1.0 2.3 3.3 107 107 A 105 PHE H A 101 ASP O 1.0 1.3 2.3 108 108 A 101 ASP O A 105 PHE N 1.0 2.3 3.3 109 109 A 106 ARG H A 102 VAL O 1.0 1.3 2.3 110 110 A 102 VAL O A 106 ARG N 1.0 2.3 3.3 111 111 A 107 TYR H A 103 PHE O 1.0 1.3 2.3 112 112 A 103 PHE O A 107 TYR N 1.0 2.3 3.3 113 113 A 108 ALA H A 104 GLU O 1.0 1.3 2.3 114 114 A 104 GLU O A 108 ALA N 1.0 2.3 3.3 115 115 A 109 LYS H A 105 PHE O 1.0 1.3 2.3 116 116 A 105 PHE O A 109 LYS N 1.0 2.3 3.3 117 117 A 110 MET H A 106 ARG O 1.0 1.3 2.3 118 118 A 106 ARG O A 110 MET N 1.0 2.3 3.3 119 119 A 53 LEU H A 29 PHE O 1.0 1.3 2.4 120 120 A 29 PHE O A 53 LEU N 1.0 2.3 3.4 121 121 A 54 SER H A 30 TYR O 1.0 1.3 2.4 122 122 A 30 TYR O A 54 SER N 1.0 2.3 3.4 123 123 A 81 ASN ND2 A 49 HIS O 1.0 2.3 3.3 124 124 A 22 HIS NE2 A 16 GLU OE2 1.0 2.3 3.4 125 125 A 22 HIS ND1 A 25 TYR OH 1.0 2.3 3.4 126 126 A 65 TYR OH A 74 ASP OD2 1.0 2.3 3.3 127 127 A 107 TYR OH A 69 GLN OE1 1.0 2.5 3.9 128 128 A 30 TYR OH A 17 LEU O 1.0 2.3 3.4 129 129 A 74 ASP OD2 A 59 LYS NZ 1.0 2.3 3.4 130 130 A 66 ARG N A 70 GLU OE1 1.0 2.3 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 4 SER C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -88.7 -28.7 PHI 2 2 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 GLN N 1.0 -63.2 -3.2 PSI 3 3 A 5 GLU C A 6 GLN N A 6 GLN CA A 6 GLN C 1.0 -92.5 -32.5 PHI 4 4 A 6 GLN N A 6 GLN CA A 6 GLN C A 7 LEU N 1.0 -72.0 -12.0 PSI 5 5 A 6 GLN C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -97.8 -37.8 PHI 6 6 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 LYS N 1.0 -71.0 -11.0 PSI 7 7 A 7 LEU C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -94.3 -34.3 PHI 8 8 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 HIS N 1.0 -69.0 -9.0 PSI 9 9 A 8 LYS C A 9 HIS N A 9 HIS CA A 9 HIS C 1.0 -95.6 -35.6 PHI 10 10 A 9 HIS N A 9 HIS CA A 9 HIS C A 10 CYS N 1.0 -75.9 -15.9 PSI 11 11 A 9 HIS C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -93.3 -33.3 PHI 12 12 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 ASN N 1.0 -70.3 -10.3 PSI 13 13 A 10 CYS C A 11 ASN N A 11 ASN CA A 11 ASN C 1.0 -93.9 -33.9 PHI 14 14 A 11 ASN N A 11 ASN CA A 11 ASN C A 12 GLY N 1.0 -69.1 -9.1 PSI 15 15 A 11 ASN C A 12 GLY N A 12 GLY CA A 12 GLY C 1.0 -94.9 -34.9 PHI 16 16 A 12 GLY N A 12 GLY CA A 12 GLY C A 13 ILE N 1.0 -72.3 -12.3 PSI 17 17 A 12 GLY C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -93.4 -33.4 PHI 18 18 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 LEU N 1.0 -73.9 -13.9 PSI 19 19 A 13 ILE C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -94.8 -34.8 PHI 20 20 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 LYS N 1.0 -71.2 -11.2 PSI 21 21 A 14 LEU C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -94.1 -34.1 PHI 22 22 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 GLU N 1.0 -69.5 -9.5 PSI 23 23 A 15 LYS C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -96.3 -36.3 PHI 24 24 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 LEU N 1.0 -70.3 -10.3 PSI 25 25 A 16 GLU C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -97.1 -37.1 PHI 26 26 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 LEU N 1.0 -62.7 -2.7 PSI 27 27 A 17 LEU C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -110.2 -50.2 PHI 28 28 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 SER N 1.0 -57.1 15.1 PSI 29 29 A 18 LEU C A 19 SER N A 19 SER CA A 19 SER C 1.0 -107.7 -45.9 PHI 30 30 A 19 SER N A 19 SER CA A 19 SER C A 20 LYS N 1.0 96.4 171.4 PSI 31 31 A 19 SER C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -92.9 -32.9 PHI 32 32 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 LYS N 1.0 -61.0 -1.0 PSI 33 33 A 20 LYS C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -105.6 -45.6 PHI 34 34 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 HIS N 1.0 -59.6 0.4 PSI 35 35 A 21 LYS C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -152.5 -89.9 PHI 36 36 A 22 HIS N A 22 HIS CA A 22 HIS C A 23 ALA N 1.0 -38.4 85.2 PSI 37 37 A 22 HIS C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -90.1 -30.1 PHI 38 38 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 ALA N 1.0 -59.5 0.5 PSI 39 39 A 23 ALA C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -97.7 -37.7 PHI 40 40 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 TYR N 1.0 -56.3 3.7 PSI 41 41 A 26 ALA C A 27 TRP N A 27 TRP CA A 27 TRP C 1.0 -88.6 -28.6 PHI 42 42 A 27 TRP N A 27 TRP CA A 27 TRP C A 28 PRO N 1.0 -72.0 -12.0 PSI 43 43 A 27 TRP C A 28 PRO N A 28 PRO CA A 28 PRO C 1.0 -93.0 -33.0 PHI 44 44 A 28 PRO N A 28 PRO CA A 28 PRO C A 29 PHE N 1.0 -50.8 9.2 PSI 45 45 A 28 PRO C A 29 PHE N A 29 PHE CA A 29 PHE C 1.0 -128.4 -68.4 PHI 46 46 A 29 PHE N A 29 PHE CA A 29 PHE C A 30 TYR N 1.0 -31.1 28.9 PSI 47 47 A 30 TYR C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -166.4 -49.4 PHI 48 48 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 PRO N 1.0 118.8 178.8 PSI 49 49 A 31 LYS C A 32 PRO N A 32 PRO CA A 32 PRO C 1.0 -92.6 -32.6 PHI 50 50 A 32 PRO N A 32 PRO CA A 32 PRO C A 33 VAL N 1.0 117.3 177.3 PSI 51 51 A 33 VAL C A 34 ASP N A 34 ASP CA A 34 ASP C 1.0 -124.2 -64.2 PHI 52 52 A 34 ASP N A 34 ASP CA A 34 ASP C A 35 ALA N 1.0 17.6 144.4 PSI 53 53 A 34 ASP C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -93.3 -33.3 PHI 54 54 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 SER N 1.0 -62.8 -2.8 PSI 55 55 A 35 ALA C A 36 SER N A 36 SER CA A 36 SER C 1.0 -94.7 -34.7 PHI 56 56 A 36 SER N A 36 SER CA A 36 SER C A 37 ALA N 1.0 -68.1 -8.1 PSI 57 57 A 36 SER C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -98.0 -38.0 PHI 58 58 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 LEU N 1.0 -54.4 5.6 PSI 59 59 A 37 ALA C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -118.9 -58.9 PHI 60 60 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 GLY N 1.0 -33.7 26.3 PSI 61 61 A 38 LEU C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 52.7 112.7 PHI 62 62 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 LEU N 1.0 -14.9 45.1 PSI 63 63 A 39 GLY C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -125.2 -65.2 PHI 64 64 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 HIS N 1.0 20.3 152.1 PSI 65 65 A 40 LEU C A 41 HIS N A 41 HIS CA A 41 HIS C 1.0 -85.0 -25.0 PHI 66 66 A 41 HIS N A 41 HIS CA A 41 HIS C A 42 ASP N 1.0 -66.0 6.0 PSI 67 67 A 41 HIS C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -139.0 -79.0 PHI 68 68 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 TYR N 1.0 -12.0 52.0 PSI 69 69 A 42 ASP C A 43 TYR N A 43 TYR CA A 43 TYR C 1.0 -89.9 -29.9 PHI 70 70 A 43 TYR N A 43 TYR CA A 43 TYR C A 44 HIS N 1.0 -67.9 -7.9 PSI 71 71 A 43 TYR C A 44 HIS N A 44 HIS CA A 44 HIS C 1.0 -98.8 -38.8 PHI 72 72 A 44 HIS N A 44 HIS CA A 44 HIS C A 45 ASP N 1.0 -55.5 4.5 PSI 73 73 A 44 HIS C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 -104.7 -44.7 PHI 74 74 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 ILE N 1.0 -56.2 3.8 PSI 75 75 A 45 ASP C A 46 ILE N A 46 ILE CA A 46 ILE C 1.0 -124.1 -64.1 PHI 76 76 A 46 ILE N A 46 ILE CA A 46 ILE C A 47 ILE N 1.0 -61.7 0.7 PSI 77 77 A 46 ILE C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -128.6 -68.6 PHI 78 78 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 LYS N 1.0 86.5 146.5 PSI 79 79 A 47 ILE C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -126.7 -49.3 PHI 80 80 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 HIS N 1.0 -60.3 12.5 PSI 81 81 A 48 LYS C A 49 HIS N A 49 HIS CA A 49 HIS C 1.0 -161.0 -66.2 PHI 82 82 A 49 HIS N A 49 HIS CA A 49 HIS C A 50 PRO N 1.0 33.6 179.8 PSI 83 83 A 49 HIS C A 50 PRO N A 50 PRO CA A 50 PRO C 1.0 -94.4 -34.4 PHI 84 84 A 50 PRO N A 50 PRO CA A 50 PRO C A 51 MET N 1.0 100.2 190.2 PSI 85 85 A 50 PRO C A 51 MET N A 51 MET CA A 51 MET C 1.0 -132.4 -42.4 PHI 86 86 A 51 MET N A 51 MET CA A 51 MET C A 52 ASP N 1.0 89.6 166.8 PSI 87 87 A 51 MET C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -138.0 -31.4 PHI 88 88 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 LEU N 1.0 135.1 195.1 PSI 89 89 A 52 ASP C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -90.1 -30.1 PHI 90 90 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 SER N 1.0 -68.3 -8.3 PSI 91 91 A 53 LEU C A 54 SER N A 54 SER CA A 54 SER C 1.0 -96.2 -36.2 PHI 92 92 A 54 SER N A 54 SER CA A 54 SER C A 55 THR N 1.0 -69.1 -9.1 PSI 93 93 A 54 SER C A 55 THR N A 55 THR CA A 55 THR C 1.0 -98.0 -38.0 PHI 94 94 A 55 THR N A 55 THR CA A 55 THR C A 56 VAL N 1.0 -70.3 -10.3 PSI 95 95 A 55 THR C A 56 VAL N A 56 VAL CA A 56 VAL C 1.0 -96.5 -36.5 PHI 96 96 A 56 VAL N A 56 VAL CA A 56 VAL C A 57 LYS N 1.0 -70.3 -10.3 PSI 97 97 A 56 VAL C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -93.3 -33.3 PHI 98 98 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 ARG N 1.0 -72.2 -12.2 PSI 99 99 A 57 LYS C A 58 ARG N A 58 ARG CA A 58 ARG C 1.0 -95.6 -35.6 PHI 100 100 A 58 ARG N A 58 ARG CA A 58 ARG C A 59 LYS N 1.0 -72.2 -12.2 PSI 101 101 A 58 ARG C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -95.1 -35.1 PHI 102 102 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 MET N 1.0 -69.3 -9.3 PSI 103 103 A 59 LYS C A 60 MET N A 60 MET CA A 60 MET C 1.0 -96.2 -36.2 PHI 104 104 A 60 MET N A 60 MET CA A 60 MET C A 61 GLU N 1.0 -69.8 -9.8 PSI 105 105 A 60 MET C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -96.0 -36.0 PHI 106 106 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 ASN N 1.0 -62.1 -2.1 PSI 107 107 A 61 GLU C A 62 ASN N A 62 ASN CA A 62 ASN C 1.0 -118.7 -58.7 PHI 108 108 A 62 ASN N A 62 ASN CA A 62 ASN C A 63 ARG N 1.0 -27.0 33.0 PSI 109 109 A 62 ASN C A 63 ARG N A 63 ARG CA A 63 ARG C 1.0 31.7 91.7 PHI 110 110 A 63 ARG N A 63 ARG CA A 63 ARG C A 64 ASP N 1.0 0.6 60.6 PSI 111 111 A 63 ARG C A 64 ASP N A 64 ASP CA A 64 ASP C 1.0 -110.9 -50.9 PHI 112 112 A 64 ASP N A 64 ASP CA A 64 ASP C A 65 TYR N 1.0 -49.9 10.1 PSI 113 113 A 64 ASP C A 65 TYR N A 65 TYR CA A 65 TYR C 1.0 -173.2 -63.2 PHI 114 114 A 65 TYR N A 65 TYR CA A 65 TYR C A 66 ARG N 1.0 35.5 221.5 PSI 115 115 A 65 TYR C A 66 ARG N A 66 ARG CA A 66 ARG C 1.0 -128.4 -43.6 PHI 116 116 A 66 ARG N A 66 ARG CA A 66 ARG C A 67 ASP N 1.0 -63.2 14.6 PSI 117 117 A 66 ARG C A 67 ASP N A 67 ASP CA A 67 ASP C 1.0 -159.2 -25.8 PHI 118 118 A 67 ASP N A 67 ASP CA A 67 ASP C A 68 ALA N 1.0 115.7 182.3 PSI 119 119 A 67 ASP C A 68 ALA N A 68 ALA CA A 68 ALA C 1.0 -92.7 -32.7 PHI 120 120 A 68 ALA N A 68 ALA CA A 68 ALA C A 69 GLN N 1.0 -63.0 -3.0 PSI 121 121 A 68 ALA C A 69 GLN N A 69 GLN CA A 69 GLN C 1.0 -94.9 -34.9 PHI 122 122 A 69 GLN N A 69 GLN CA A 69 GLN C A 70 GLU N 1.0 -67.9 -7.9 PSI 123 123 A 69 GLN C A 70 GLU N A 70 GLU CA A 70 GLU C 1.0 -98.0 -38.0 PHI 124 124 A 70 GLU N A 70 GLU CA A 70 GLU C A 71 PHE N 1.0 -67.3 -7.3 PSI 125 125 A 70 GLU C A 71 PHE N A 71 PHE CA A 71 PHE C 1.0 -93.7 -33.7 PHI 126 126 A 71 PHE N A 71 PHE CA A 71 PHE C A 72 ALA N 1.0 -73.8 -13.8 PSI 127 127 A 71 PHE C A 72 ALA N A 72 ALA CA A 72 ALA C 1.0 -93.9 -33.9 PHI 128 128 A 72 ALA N A 72 ALA CA A 72 ALA C A 73 ALA N 1.0 -71.2 -11.2 PSI 129 129 A 72 ALA C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -94.1 -34.1 PHI 130 130 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 ASP N 1.0 -69.1 -9.1 PSI 131 131 A 73 ALA C A 74 ASP N A 74 ASP CA A 74 ASP C 1.0 -95.0 -35.0 PHI 132 132 A 74 ASP N A 74 ASP CA A 74 ASP C A 75 VAL N 1.0 -71.3 -11.3 PSI 133 133 A 74 ASP C A 75 VAL N A 75 VAL CA A 75 VAL C 1.0 -95.7 -35.7 PHI 134 134 A 75 VAL N A 75 VAL CA A 75 VAL C A 76 ARG N 1.0 -71.7 -11.7 PSI 135 135 A 75 VAL C A 76 ARG N A 76 ARG CA A 76 ARG C 1.0 -92.5 -32.5 PHI 136 136 A 76 ARG N A 76 ARG CA A 76 ARG C A 77 LEU N 1.0 -72.4 -12.4 PSI 137 137 A 76 ARG C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -94.1 -34.1 PHI 138 138 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 MET N 1.0 -74.2 -14.2 PSI 139 139 A 77 LEU C A 78 MET N A 78 MET CA A 78 MET C 1.0 -91.1 -31.1 PHI 140 140 A 78 MET N A 78 MET CA A 78 MET C A 79 PHE N 1.0 -75.2 -15.2 PSI 141 141 A 78 MET C A 79 PHE N A 79 PHE CA A 79 PHE C 1.0 -95.8 -35.8 PHI 142 142 A 79 PHE N A 79 PHE CA A 79 PHE C A 80 SER N 1.0 -67.5 -7.5 PSI 143 143 A 79 PHE C A 80 SER N A 80 SER CA A 80 SER C 1.0 -94.1 -34.1 PHI 144 144 A 80 SER N A 80 SER CA A 80 SER C A 81 ASN N 1.0 -69.1 -9.1 PSI 145 145 A 80 SER C A 81 ASN N A 81 ASN CA A 81 ASN C 1.0 -98.3 -38.3 PHI 146 146 A 81 ASN N A 81 ASN CA A 81 ASN C A 82 CYS N 1.0 -67.7 -7.7 PSI 147 147 A 81 ASN C A 82 CYS N A 82 CYS CA A 82 CYS C 1.0 -96.0 -36.0 PHI 148 148 A 82 CYS N A 82 CYS CA A 82 CYS C A 83 TYR N 1.0 -59.2 0.8 PSI 149 149 A 82 CYS C A 83 TYR N A 83 TYR CA A 83 TYR C 1.0 -136.6 -66.6 PHI 150 150 A 83 TYR N A 83 TYR CA A 83 TYR C A 84 LYS N 1.0 -23.2 46.8 PSI 151 151 A 83 TYR C A 84 LYS N A 84 LYS CA A 84 LYS C 1.0 -117.4 -57.4 PHI 152 152 A 84 LYS N A 84 LYS CA A 84 LYS C A 85 TYR N 1.0 -53.0 24.4 PSI 153 153 A 84 LYS C A 85 TYR N A 85 TYR CA A 85 TYR C 1.0 -101.7 -41.7 PHI 154 154 A 85 TYR N A 85 TYR CA A 85 TYR C A 86 ASN N 1.0 -69.2 -9.2 PSI 155 155 A 85 TYR C A 86 ASN N A 86 ASN CA A 86 ASN C 1.0 -166.2 -37.2 PHI 156 156 A 86 ASN N A 86 ASN CA A 86 ASN C A 87 PRO N 1.0 45.7 185.3 PSI 157 157 A 86 ASN C A 87 PRO N A 87 PRO CA A 87 PRO C 1.0 -97.4 -37.4 PHI 158 158 A 87 PRO N A 87 PRO CA A 87 PRO C A 88 PRO N 1.0 123.5 183.5 PSI 159 159 A 90 HIS C A 91 ASP N A 91 ASP CA A 91 ASP C 1.0 -95.9 -35.9 PHI 160 160 A 91 ASP N A 91 ASP CA A 91 ASP C A 92 VAL N 1.0 -72.8 -12.8 PSI 161 161 A 91 ASP C A 92 VAL N A 92 VAL CA A 92 VAL C 1.0 -97.5 -37.5 PHI 162 162 A 92 VAL N A 92 VAL CA A 92 VAL C A 93 VAL N 1.0 -68.7 -8.7 PSI 163 163 A 92 VAL C A 93 VAL N A 93 VAL CA A 93 VAL C 1.0 -94.4 -34.4 PHI 164 164 A 93 VAL N A 93 VAL CA A 93 VAL C A 94 ALA N 1.0 -71.2 -11.2 PSI 165 165 A 93 VAL C A 94 ALA N A 94 ALA CA A 94 ALA C 1.0 -95.8 -35.8 PHI 166 166 A 94 ALA N A 94 ALA CA A 94 ALA C A 95 MET N 1.0 -69.8 -9.8 PSI 167 167 A 94 ALA C A 95 MET N A 95 MET CA A 95 MET C 1.0 -93.2 -33.2 PHI 168 168 A 95 MET N A 95 MET CA A 95 MET C A 96 ALA N 1.0 -74.7 -14.7 PSI 169 169 A 95 MET C A 96 ALA N A 96 ALA CA A 96 ALA C 1.0 -94.0 -34.0 PHI 170 170 A 96 ALA N A 96 ALA CA A 96 ALA C A 97 ARG N 1.0 -67.2 -7.2 PSI 171 171 A 96 ALA C A 97 ARG N A 97 ARG CA A 97 ARG C 1.0 -96.2 -36.2 PHI 172 172 A 97 ARG N A 97 ARG CA A 97 ARG C A 98 LYS N 1.0 -68.2 -8.2 PSI 173 173 A 97 ARG C A 98 LYS N A 98 LYS CA A 98 LYS C 1.0 -96.3 -36.3 PHI 174 174 A 98 LYS N A 98 LYS CA A 98 LYS C A 99 LEU N 1.0 -69.4 -9.4 PSI 175 175 A 98 LYS C A 99 LEU N A 99 LEU CA A 99 LEU C 1.0 -97.0 -37.0 PHI 176 176 A 99 LEU N A 99 LEU CA A 99 LEU C A 100 GLN N 1.0 -69.6 -9.6 PSI 177 177 A 99 LEU C A 100 GLN N A 100 GLN CA A 100 GLN C 1.0 -93.0 -33.0 PHI 178 178 A 100 GLN N A 100 GLN CA A 100 GLN C A 101 ASP N 1.0 -71.6 -11.6 PSI 179 179 A 100 GLN C A 101 ASP N A 101 ASP CA A 101 ASP C 1.0 -94.4 -34.4 PHI 180 180 A 101 ASP N A 101 ASP CA A 101 ASP C A 102 VAL N 1.0 -70.7 -10.7 PSI 181 181 A 101 ASP C A 102 VAL N A 102 VAL CA A 102 VAL C 1.0 -94.5 -34.5 PHI 182 182 A 102 VAL N A 102 VAL CA A 102 VAL C A 103 PHE N 1.0 -71.9 -11.9 PSI 183 183 A 102 VAL C A 103 PHE N A 103 PHE CA A 103 PHE C 1.0 -93.1 -33.1 PHI 184 184 A 103 PHE N A 103 PHE CA A 103 PHE C A 104 GLU N 1.0 -74.2 -14.2 PSI 185 185 A 103 PHE C A 104 GLU N A 104 GLU CA A 104 GLU C 1.0 -93.9 -33.9 PHI 186 186 A 104 GLU N A 104 GLU CA A 104 GLU C A 105 PHE N 1.0 -71.6 -11.6 PSI 187 187 A 104 GLU C A 105 PHE N A 105 PHE CA A 105 PHE C 1.0 -93.4 -33.4 PHI 188 188 A 105 PHE N A 105 PHE CA A 105 PHE C A 106 ARG N 1.0 -73.3 -13.3 PSI 189 189 A 105 PHE C A 106 ARG N A 106 ARG CA A 106 ARG C 1.0 -97.6 -37.6 PHI 190 190 A 106 ARG N A 106 ARG CA A 106 ARG C A 107 TYR N 1.0 -65.6 -5.6 PSI 191 191 A 106 ARG C A 107 TYR N A 107 TYR CA A 107 TYR C 1.0 -93.6 -33.6 PHI 192 192 A 107 TYR N A 107 TYR CA A 107 TYR C A 108 ALA N 1.0 -69.9 -9.9 PSI 193 193 A 107 TYR C A 108 ALA N A 108 ALA CA A 108 ALA C 1.0 -99.1 -39.1 PHI 194 194 A 108 ALA N A 108 ALA CA A 108 ALA C A 109 LYS N 1.0 -48.7 11.3 PSI 195 195 A 108 ALA C A 109 LYS N A 109 LYS CA A 109 LYS C 1.0 -128.7 -68.7 PHI 196 196 A 109 LYS N A 109 LYS CA A 109 LYS C A 110 MET N 1.0 -33.6 45.0 PSI 197 197 A 109 LYS C A 110 MET N A 110 MET CA A 110 MET C 1.0 -97.4 -37.4 PHI 198 198 A 110 MET N A 110 MET CA A 110 MET C A 111 PRO N 1.0 102.4 162.4 PSI 199 199 A 110 MET C A 111 PRO N A 111 PRO CA A 111 PRO C 1.0 -90.3 -30.3 PHI 200 200 A 111 PRO N A 111 PRO CA A 111 PRO C A 112 ASP N 1.0 115.9 175.9 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 1H 6000 'not observed' 2 Hz 1H 6000 'not observed' 3 Hz 13C 12000 'not observed' stop_ save_