data_nef_c26059_2ndf save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 26060 PDB 2NDF 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 ARG 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 SER middle . . 3 A 3 HIS middle . . 4 A 4 MET middle . . 5 A 5 ALA middle . . 6 A 6 SER middle . . 7 A 7 SER middle . . 8 A 8 CYS middle . . 9 A 9 ALA middle . . 10 A 10 VAL middle . . 11 A 11 GLN middle . . 12 A 12 VAL middle . . 13 A 13 LYS middle . . 14 A 14 LEU middle . . 15 A 15 GLU middle . . 16 A 16 LEU middle . . 17 A 17 GLY middle . false 18 A 18 HIS middle . . 19 A 19 ARG middle . . 20 A 20 ALA middle . . 21 A 21 GLN middle . . 22 A 22 VAL middle . . 23 A 23 ARG middle . . 24 A 24 LYS middle . . 25 A 25 LYS middle . . 26 A 26 PRO middle . false 27 A 27 THR middle . . 28 A 28 VAL middle . . 29 A 29 GLU middle . . 30 A 30 GLY middle . false 31 A 31 PHE middle . . 32 A 32 THR middle . . 33 A 33 HIS middle . . 34 A 34 ASP middle . . 35 A 35 TRP middle . . 36 A 36 MET middle . . 37 A 37 VAL middle . . 38 A 38 PHE middle . . 39 A 39 VAL middle . . 40 A 40 ARG middle . . 41 A 41 GLY middle . false 42 A 42 PRO middle . false 43 A 43 GLU middle . . 44 A 44 HIS middle . . 45 A 45 SER middle . . 46 A 46 ASN middle . . 47 A 47 ILE middle . . 48 A 48 GLN middle . . 49 A 49 HIS middle . . 50 A 50 PHE middle . . 51 A 51 VAL middle . . 52 A 52 GLU middle . . 53 A 53 LYS middle . . 54 A 54 VAL middle . . 55 A 55 VAL middle . . 56 A 56 PHE middle . . 57 A 57 HIS middle . . 58 A 58 LEU middle . . 59 A 59 HIS middle . . 60 A 60 GLU middle . . 61 A 61 SER middle . . 62 A 62 PHE middle . . 63 A 63 PRO middle . false 64 A 64 ARG middle . . 65 A 65 PRO middle . false 66 A 66 LYS middle . . 67 A 67 ARG middle . . 68 A 68 VAL middle . . 69 A 69 CYS middle . . 70 A 70 LYS middle . . 71 A 71 ASP middle . . 72 A 72 PRO middle . false 73 A 73 PRO middle . false 74 A 74 TYR middle . . 75 A 75 LYS middle . . 76 A 76 VAL middle . . 77 A 77 GLU middle . . 78 A 78 GLU middle . . 79 A 79 SER middle . . 80 A 80 GLY middle . false 81 A 81 TYR middle . . 82 A 82 ALA middle . . 83 A 83 GLY middle . false 84 A 84 PHE middle . . 85 A 85 ILE middle . . 86 A 86 LEU middle . . 87 A 87 PRO middle . false 88 A 88 ILE middle . . 89 A 89 GLU middle . . 90 A 90 VAL middle . . 91 A 91 TYR middle . . 92 A 92 PHE middle . . 93 A 93 LYS middle . . 94 A 94 ASN middle . . 95 A 95 LYS middle . . 96 A 96 GLU middle . . 97 A 97 GLU middle . . 98 A 98 PRO middle . false 99 A 99 ARG middle . . 100 A 100 LYS middle . . 101 A 101 VAL middle . . 102 A 102 ARG middle . . 103 A 103 PHE middle . . 104 A 104 ASP middle . . 105 A 105 TYR middle . . 106 A 106 ASP middle . . 107 A 107 LEU middle . . 108 A 108 PHE middle . . 109 A 109 LEU middle . . 110 A 110 HIS middle . . 111 A 111 LEU middle . . 112 A 112 GLU middle . . 113 A 113 GLY middle . false 114 A 114 HIS middle . . 115 A 115 PRO middle . false 116 A 116 PRO middle . false 117 A 117 VAL middle . . 118 A 118 ASN middle . . 119 A 119 HIS middle . . 120 A 120 LEU middle . . 121 A 121 ARG middle . . 122 A 122 CYS middle . . 123 A 123 GLU middle . . 124 A 124 LYS middle . . 125 A 125 LEU middle . . 126 A 126 THR middle . . 127 A 127 PHE middle . . 128 A 128 ASN middle . . 129 A 129 ASN middle . . 130 A 130 PRO middle . false 131 A 131 THR middle . . 132 A 132 GLU middle . . 133 A 133 ASP middle . . 134 A 134 PHE middle . . 135 A 135 ARG middle . . 136 A 136 ARG middle . . 137 A 137 LYS middle . . 138 A 138 LEU middle . . 139 A 139 LEU middle . . 140 A 140 LYS middle . . 141 A 141 ALA end . . 142 B 212 GLY start . false 143 B 213 GLY middle . false 144 B 214 LYS middle . . 145 B 215 ALA middle . . 146 B 216 PRO middle . false 147 B 217 ARG middle . . 148 B 218 ALY middle . . 149 B 219 GLN middle . . 150 B 220 LEU middle . . 151 B 221 ALA middle . . 152 B 222 THR middle . . 153 B 223 LYS middle . . 154 B 224 ALA 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 4 MET C C 13 175.8000 0.4 A 4 MET CA C 13 55.3500 0.4 A 4 MET CB C 13 32.8800 0.4 A 5 ALA H H 1 8.3200 0.04 A 5 ALA HA H 1 4.3500 0.04 A 5 ALA HB% H 1 1.4000 0.04 A 5 ALA CA C 13 52.4300 0.4 A 5 ALA CB C 13 19.3700 0.4 A 5 ALA N N 15 125.2300 0.4 A 6 SER HA H 1 4.4900 0.04 A 6 SER HBx H 1 3.8600 0.04 A 6 SER HBy H 1 3.9400 0.04 A 6 SER CA C 13 58.2000 0.4 A 6 SER CB C 13 63.7000 0.4 A 7 SER HA H 1 4.5300 0.04 A 7 SER HBx H 1 3.8800 0.04 A 7 SER HBy H 1 3.9500 0.04 A 7 SER CA C 13 58.2000 0.4 A 7 SER CB C 13 63.7000 0.4 A 8 CYS HA H 1 4.6100 0.04 A 8 CYS HBy H 1 2.9800 0.04 A 8 CYS C C 13 173.5000 0.4 A 8 CYS CA C 13 58.3400 0.4 A 8 CYS CB C 13 28.4900 0.4 A 9 ALA H H 1 7.9600 0.04 A 9 ALA HA H 1 4.7900 0.04 A 9 ALA HB% H 1 1.2860 0.04 A 9 ALA C C 13 177.4000 0.4 A 9 ALA CA C 13 52.0700 0.4 A 9 ALA CB C 13 20.6290 0.4 A 9 ALA N N 15 124.7000 0.4 A 10 VAL H H 1 8.4240 0.04 A 10 VAL HA H 1 4.2900 0.04 A 10 VAL HB H 1 1.7600 0.04 A 10 VAL HGx% H 1 0.7700 0.04 A 10 VAL HGy% H 1 0.8300 0.04 A 10 VAL C C 13 173.9000 0.4 A 10 VAL CA C 13 61.5500 0.4 A 10 VAL CB C 13 34.9000 0.4 A 10 VAL CG1 C 13 22.1000 0.4 A 10 VAL CG2 C 13 21.8000 0.4 A 10 VAL N N 15 120.1240 0.4 A 11 GLN H H 1 8.6360 0.04 A 11 GLN HA H 1 5.5600 0.04 A 11 GLN HBy H 1 1.8700 0.04 A 11 GLN HE2y H 1 7.4100 0.04 A 11 GLN HE2x H 1 6.8800 0.04 A 11 GLN HGx H 1 2.1600 0.04 A 11 GLN HGy H 1 2.2100 0.04 A 11 GLN C C 13 175.4000 0.4 A 11 GLN CA C 13 54.1230 0.4 A 11 GLN CB C 13 32.0290 0.4 A 11 GLN CG C 13 34.4800 0.4 A 11 GLN N N 15 125.8180 0.4 A 11 GLN NE2 N 15 112.0900 0.4 A 12 VAL H H 1 8.8270 0.04 A 12 VAL HA H 1 4.6300 0.04 A 12 VAL HB H 1 2.1000 0.04 A 12 VAL HGx% H 1 0.6900 0.04 A 12 VAL HGy% H 1 0.6500 0.04 A 12 VAL C C 13 173.8000 0.4 A 12 VAL CA C 13 59.8000 0.4 A 12 VAL CB C 13 35.7110 0.4 A 12 VAL CG1 C 13 21.9000 0.4 A 12 VAL CG2 C 13 20.1000 0.4 A 12 VAL N N 15 119.1060 0.4 A 13 LYS H H 1 8.2340 0.04 A 13 LYS HA H 1 5.2000 0.04 A 13 LYS HBx H 1 1.6400 0.04 A 13 LYS HBy H 1 1.8200 0.04 A 13 LYS HDy H 1 1.6700 0.04 A 13 LYS HEy H 1 2.9100 0.04 A 13 LYS HGx H 1 1.2600 0.04 A 13 LYS HGy H 1 1.4700 0.04 A 13 LYS C C 13 175.0300 0.4 A 13 LYS CA C 13 55.4300 0.4 A 13 LYS CB C 13 35.9200 0.4 A 13 LYS CD C 13 29.2500 0.4 A 13 LYS CE C 13 41.7700 0.4 A 13 LYS CG C 13 25.8500 0.4 A 13 LYS N N 15 121.7000 0.4 A 14 LEU H H 1 8.8400 0.04 A 14 LEU HA H 1 4.9500 0.04 A 14 LEU HBx H 1 1.3700 0.04 A 14 LEU HBy H 1 1.5100 0.04 A 14 LEU HDx% H 1 0.9900 0.04 A 14 LEU HDy% H 1 1.0200 0.04 A 14 LEU HG H 1 1.7300 0.04 A 14 LEU C C 13 175.1100 0.4 A 14 LEU CA C 13 53.3570 0.4 A 14 LEU CB C 13 46.9210 0.4 A 14 LEU CD1 C 13 26.3800 0.4 A 14 LEU CD2 C 13 24.2800 0.4 A 14 LEU CG C 13 27.1600 0.4 A 14 LEU N N 15 119.1000 0.4 A 15 GLU H H 1 9.1810 0.04 A 15 GLU HA H 1 4.9900 0.04 A 15 GLU HBx H 1 1.8300 0.04 A 15 GLU HBy H 1 1.8500 0.04 A 15 GLU HGx H 1 2.0900 0.04 A 15 GLU HGy H 1 2.2300 0.04 A 15 GLU C C 13 173.8000 0.4 A 15 GLU CA C 13 55.4280 0.4 A 15 GLU CB C 13 31.8260 0.4 A 15 GLU CG C 13 36.9600 0.4 A 15 GLU N N 15 120.9780 0.4 A 16 LEU H H 1 8.8910 0.04 A 16 LEU HA H 1 5.1100 0.04 A 16 LEU HBx H 1 1.3500 0.04 A 16 LEU HBy H 1 1.4600 0.04 A 16 LEU HDx% H 1 0.4900 0.04 A 16 LEU HDy% H 1 0.3300 0.04 A 16 LEU HG H 1 1.5200 0.04 A 16 LEU C C 13 174.7000 0.4 A 16 LEU CA C 13 53.0760 0.4 A 16 LEU CB C 13 44.8920 0.4 A 16 LEU CD1 C 13 26.3700 0.4 A 16 LEU CD2 C 13 25.3300 0.4 A 16 LEU CG C 13 28.7000 0.4 A 16 LEU N N 15 124.4380 0.4 A 17 GLY H H 1 7.2270 0.04 A 17 GLY HAx H 1 3.6800 0.04 A 17 GLY HAy H 1 4.5400 0.04 A 17 GLY C C 13 170.3500 0.4 A 17 GLY CA C 13 46.9840 0.4 A 17 GLY N N 15 108.0670 0.4 A 18 HIS H H 1 8.1500 0.04 A 18 HIS HA H 1 5.6200 0.04 A 18 HIS HBx H 1 2.8800 0.04 A 18 HIS HBy H 1 3.3200 0.04 A 18 HIS HD2 H 1 6.0700 0.04 A 18 HIS HE1 H 1 6.3500 0.04 A 18 HIS C C 13 172.4000 0.4 A 18 HIS CA C 13 54.9400 0.4 A 18 HIS CB C 13 34.1600 0.4 A 18 HIS CD2 C 13 117.1400 0.4 A 18 HIS CE1 C 13 137.1000 0.4 A 18 HIS N N 15 111.2000 0.4 A 19 ARG H H 1 9.0100 0.04 A 19 ARG HA H 1 5.1000 0.04 A 19 ARG HBx H 1 1.7800 0.04 A 19 ARG HBy H 1 2.0000 0.04 A 19 ARG HDy H 1 3.2100 0.04 A 19 ARG HGy H 1 1.8100 0.04 A 19 ARG C C 13 175.8000 0.4 A 19 ARG CA C 13 53.5000 0.4 A 19 ARG CB C 13 34.6500 0.4 A 19 ARG CD C 13 43.6400 0.4 A 19 ARG CG C 13 27.9400 0.4 A 19 ARG N N 15 117.8000 0.4 A 20 ALA H H 1 8.0700 0.04 A 20 ALA HA H 1 5.5400 0.04 A 20 ALA HB% H 1 1.4400 0.04 A 20 ALA C C 13 175.8000 0.4 A 20 ALA CA C 13 51.5900 0.4 A 20 ALA CB C 13 23.7500 0.4 A 20 ALA N N 15 120.3900 0.4 A 21 GLN H H 1 9.2400 0.04 A 21 GLN HA H 1 5.2300 0.04 A 21 GLN HBy H 1 2.1400 0.04 A 21 GLN HE2y H 1 7.7200 0.04 A 21 GLN HE2x H 1 6.8500 0.04 A 21 GLN HGx H 1 2.3500 0.04 A 21 GLN HGy H 1 2.5200 0.04 A 21 GLN CA C 13 54.3300 0.4 A 21 GLN CB C 13 32.9000 0.4 A 21 GLN CG C 13 33.4400 0.4 A 21 GLN N N 15 121.7900 0.4 A 21 GLN NE2 N 15 111.8800 0.4 A 22 VAL HA H 1 3.6300 0.04 A 22 VAL HB H 1 1.8900 0.04 A 22 VAL HGx% H 1 0.6900 0.04 A 22 VAL HGy% H 1 0.8900 0.04 A 22 VAL C C 13 176.5000 0.4 A 22 VAL CA C 13 63.0300 0.4 A 22 VAL CB C 13 31.6000 0.4 A 22 VAL CG1 C 13 21.9300 0.4 A 22 VAL CG2 C 13 21.1000 0.4 A 23 ARG H H 1 8.7200 0.04 A 23 ARG HA H 1 4.1300 0.04 A 23 ARG HBx H 1 1.1900 0.04 A 23 ARG HBy H 1 2.0300 0.04 A 23 ARG HDx H 1 3.0000 0.04 A 23 ARG HDy H 1 3.4900 0.04 A 23 ARG HGx H 1 1.2000 0.04 A 23 ARG HGy H 1 1.7400 0.04 A 23 ARG CA C 13 56.2000 0.4 A 23 ARG CB C 13 32.1500 0.4 A 23 ARG CD C 13 43.5500 0.4 A 23 ARG CG C 13 29.3400 0.4 A 23 ARG N N 15 127.8400 0.4 A 24 LYS HA H 1 4.0400 0.04 A 24 LYS HBy H 1 1.8600 0.04 A 24 LYS HDy H 1 1.7300 0.04 A 24 LYS HEy H 1 3.0300 0.04 A 24 LYS HGx H 1 1.5100 0.04 A 24 LYS HGy H 1 1.5900 0.04 A 24 LYS C C 13 176.9600 0.4 A 24 LYS CA C 13 58.8000 0.4 A 24 LYS CB C 13 32.0600 0.4 A 24 LYS CD C 13 28.6500 0.4 A 24 LYS CE C 13 41.8500 0.4 A 24 LYS CG C 13 25.0700 0.4 A 25 LYS H H 1 7.7200 0.04 A 25 LYS HA H 1 4.8300 0.04 A 25 LYS HBx H 1 1.6800 0.04 A 25 LYS HBy H 1 1.7800 0.04 A 25 LYS HDy H 1 1.6900 0.04 A 25 LYS HEy H 1 3.0100 0.04 A 25 LYS HGy H 1 1.4500 0.04 A 25 LYS CA C 13 52.9600 0.4 A 25 LYS CB C 13 35.0800 0.4 A 25 LYS CD C 13 29.4400 0.4 A 25 LYS CE C 13 41.8800 0.4 A 25 LYS CG C 13 24.3700 0.4 A 25 LYS N N 15 115.8700 0.4 A 26 PRO HA H 1 4.8300 0.04 A 26 PRO HBx H 1 1.8900 0.04 A 26 PRO HBy H 1 2.0500 0.04 A 26 PRO HDx H 1 3.6600 0.04 A 26 PRO HDy H 1 3.8100 0.04 A 26 PRO HGy H 1 2.0500 0.04 A 26 PRO C C 13 177.4000 0.4 A 26 PRO CA C 13 62.6500 0.4 A 26 PRO CB C 13 32.3900 0.4 A 26 PRO CD C 13 51.2300 0.4 A 26 PRO CG C 13 27.3200 0.4 A 27 THR H H 1 8.3800 0.04 A 27 THR HA H 1 4.5300 0.04 A 27 THR HB H 1 4.9000 0.04 A 27 THR HG1 H 1 5.5700 0.04 A 27 THR HG2% H 1 1.5100 0.04 A 27 THR C C 13 177.3000 0.4 A 27 THR CA C 13 61.3000 0.4 A 27 THR CB C 13 71.4600 0.4 A 27 THR CG2 C 13 21.4000 0.4 A 27 THR N N 15 111.2700 0.4 A 28 VAL H H 1 8.9100 0.04 A 28 VAL HA H 1 3.8830 0.04 A 28 VAL HB H 1 2.1060 0.04 A 28 VAL HGx% H 1 0.9700 0.04 A 28 VAL HGy% H 1 0.9500 0.04 A 28 VAL C C 13 177.0300 0.4 A 28 VAL CA C 13 65.2000 0.4 A 28 VAL CB C 13 31.4000 0.4 A 28 VAL CG1 C 13 20.6000 0.4 A 28 VAL CG2 C 13 20.2000 0.4 A 28 VAL N N 15 121.1700 0.4 A 29 GLU H H 1 7.9900 0.04 A 29 GLU HA H 1 3.9200 0.04 A 29 GLU HBx H 1 0.2900 0.04 A 29 GLU HBy H 1 1.3700 0.04 A 29 GLU HGx H 1 1.9200 0.04 A 29 GLU HGy H 1 2.0600 0.04 A 29 GLU C C 13 176.2000 0.4 A 29 GLU CA C 13 57.2500 0.4 A 29 GLU CB C 13 28.1700 0.4 A 29 GLU CG C 13 35.8000 0.4 A 29 GLU N N 15 116.8000 0.4 A 30 GLY H H 1 7.9500 0.04 A 30 GLY HAx H 1 3.4900 0.04 A 30 GLY HAy H 1 4.1600 0.04 A 30 GLY C C 13 174.9000 0.4 A 30 GLY CA C 13 44.4600 0.4 A 30 GLY N N 15 105.5000 0.4 A 31 PHE H H 1 7.5200 0.04 A 31 PHE HA H 1 4.7600 0.04 A 31 PHE HBx H 1 3.2200 0.04 A 31 PHE HBy H 1 3.5500 0.04 A 31 PHE HDx H 1 7.0400 0.04 A 31 PHE HDy H 1 7.0400 0.04 A 31 PHE HEx H 1 7.2800 0.04 A 31 PHE HEy H 1 7.2800 0.04 A 31 PHE C C 13 176.4000 0.4 A 31 PHE CA C 13 55.9000 0.4 A 31 PHE CB C 13 35.5000 0.4 A 31 PHE CDx C 13 130.5500 0.4 A 31 PHE CDy C 13 130.5500 0.4 A 31 PHE CEx C 13 132.0500 0.4 A 31 PHE CEy C 13 132.0500 0.4 A 31 PHE N N 15 119.3000 0.4 A 32 THR H H 1 7.7700 0.04 A 32 THR HA H 1 4.3300 0.04 A 32 THR HB H 1 4.5200 0.04 A 32 THR HG2% H 1 1.4500 0.04 A 32 THR C C 13 175.2000 0.4 A 32 THR CA C 13 62.7800 0.4 A 32 THR CB C 13 70.3500 0.4 A 32 THR CG2 C 13 21.7100 0.4 A 32 THR N N 15 112.3000 0.4 A 33 HIS H H 1 9.1100 0.04 A 33 HIS HA H 1 5.5000 0.04 A 33 HIS HBx H 1 2.7800 0.04 A 33 HIS HBy H 1 2.8100 0.04 A 33 HIS HD2 H 1 6.8400 0.04 A 33 HIS HE1 H 1 7.7800 0.04 A 33 HIS C C 13 173.8800 0.4 A 33 HIS CA C 13 56.7800 0.4 A 33 HIS CB C 13 35.6400 0.4 A 33 HIS CE1 C 13 138.6600 0.4 A 33 HIS N N 15 121.9000 0.4 A 34 ASP H H 1 8.8100 0.04 A 34 ASP HA H 1 5.4000 0.04 A 34 ASP HBx H 1 2.5500 0.04 A 34 ASP HBy H 1 2.9200 0.04 A 34 ASP C C 13 175.1000 0.4 A 34 ASP CA C 13 53.3100 0.4 A 34 ASP CB C 13 43.0000 0.4 A 34 ASP N N 15 120.3000 0.4 A 35 TRP H H 1 9.2500 0.04 A 35 TRP HA H 1 5.7300 0.04 A 35 TRP HBx H 1 3.1000 0.04 A 35 TRP HBy H 1 3.4200 0.04 A 35 TRP HD1 H 1 6.4500 0.04 A 35 TRP HE1 H 1 10.3300 0.04 A 35 TRP HE3 H 1 7.1300 0.04 A 35 TRP HH2 H 1 6.4900 0.04 A 35 TRP HZ2 H 1 7.1900 0.04 A 35 TRP HZ3 H 1 6.5300 0.04 A 35 TRP C C 13 174.9000 0.4 A 35 TRP CA C 13 54.9000 0.4 A 35 TRP CB C 13 34.6700 0.4 A 35 TRP CD1 C 13 127.1300 0.4 A 35 TRP CE3 C 13 121.4000 0.4 A 35 TRP CH2 C 13 122.4300 0.4 A 35 TRP CZ2 C 13 114.8800 0.4 A 35 TRP CZ3 C 13 120.8000 0.4 A 35 TRP N N 15 119.8000 0.4 A 35 TRP NE1 N 15 127.4400 0.4 A 36 MET H H 1 9.0800 0.04 A 36 MET HA H 1 5.7500 0.04 A 36 MET HBx H 1 2.1400 0.04 A 36 MET HBy H 1 2.2000 0.04 A 36 MET HE% H 1 2.0300 0.04 A 36 MET HGx H 1 2.4500 0.04 A 36 MET HGy H 1 2.7000 0.04 A 36 MET C C 13 173.7000 0.4 A 36 MET CA C 13 54.8300 0.4 A 36 MET CB C 13 35.2200 0.4 A 36 MET CE C 13 16.9000 0.4 A 36 MET CG C 13 31.6100 0.4 A 36 MET N N 15 120.9800 0.4 A 37 VAL H H 1 9.0800 0.04 A 37 VAL HA H 1 5.3100 0.04 A 37 VAL HB H 1 1.6100 0.04 A 37 VAL HGx% H 1 0.5900 0.04 A 37 VAL HGy% H 1 0.7300 0.04 A 37 VAL C C 13 172.3000 0.4 A 37 VAL CA C 13 58.5400 0.4 A 37 VAL CB C 13 35.0700 0.4 A 37 VAL CG1 C 13 21.4000 0.4 A 37 VAL CG2 C 13 20.3200 0.4 A 37 VAL N N 15 126.2200 0.4 A 38 PHE H H 1 8.3200 0.04 A 38 PHE HA H 1 5.9700 0.04 A 38 PHE HBx H 1 2.9500 0.04 A 38 PHE HBy H 1 3.0900 0.04 A 38 PHE HDx H 1 6.8000 0.04 A 38 PHE HDy H 1 6.8000 0.04 A 38 PHE HEx H 1 6.9000 0.04 A 38 PHE HEy H 1 6.9000 0.04 A 38 PHE HZ H 1 7.1700 0.04 A 38 PHE C C 13 172.9600 0.4 A 38 PHE CA C 13 56.1300 0.4 A 38 PHE CB C 13 43.0000 0.4 A 38 PHE CDx C 13 132.5000 0.4 A 38 PHE CDy C 13 132.5000 0.4 A 38 PHE CEx C 13 129.5000 0.4 A 38 PHE CEy C 13 129.5000 0.4 A 38 PHE CZ C 13 129.8000 0.4 A 38 PHE N N 15 120.6400 0.4 A 39 VAL H H 1 8.5800 0.04 A 39 VAL HA H 1 5.0100 0.04 A 39 VAL HB H 1 1.9300 0.04 A 39 VAL HGx% H 1 0.9140 0.04 A 39 VAL HGy% H 1 0.8000 0.04 A 39 VAL C C 13 174.7000 0.4 A 39 VAL CA C 13 61.6400 0.4 A 39 VAL CB C 13 35.4000 0.4 A 39 VAL CG1 C 13 22.7400 0.4 A 39 VAL CG2 C 13 20.9000 0.4 A 39 VAL N N 15 116.5000 0.4 A 40 ARG H H 1 9.8800 0.04 A 40 ARG HA H 1 5.0800 0.04 A 40 ARG HBx H 1 1.8800 0.04 A 40 ARG HBy H 1 2.2300 0.04 A 40 ARG HDx H 1 2.6900 0.04 A 40 ARG HDy H 1 2.8600 0.04 A 40 ARG HGx H 1 1.7200 0.04 A 40 ARG HGy H 1 1.8100 0.04 A 40 ARG C C 13 173.8000 0.4 A 40 ARG CA C 13 54.3000 0.4 A 40 ARG CB C 13 33.5800 0.4 A 40 ARG CD C 13 43.3800 0.4 A 40 ARG CG C 13 26.0400 0.4 A 40 ARG N N 15 124.1000 0.4 A 41 GLY H H 1 8.9100 0.04 A 41 GLY HAx H 1 3.8700 0.04 A 41 GLY HAy H 1 4.7900 0.04 A 41 GLY CA C 13 43.9700 0.4 A 41 GLY N N 15 107.6400 0.4 A 42 PRO HA H 1 4.4900 0.04 A 42 PRO HBx H 1 1.9600 0.04 A 42 PRO HBy H 1 2.3300 0.04 A 42 PRO HDx H 1 3.6300 0.04 A 42 PRO HDy H 1 3.6800 0.04 A 42 PRO HGx H 1 1.9500 0.04 A 42 PRO HGy H 1 2.1000 0.04 A 42 PRO C C 13 177.3000 0.4 A 42 PRO CA C 13 62.4400 0.4 A 42 PRO CB C 13 32.1100 0.4 A 42 PRO CD C 13 50.1600 0.4 A 42 PRO CG C 13 28.0700 0.4 A 43 GLU H H 1 9.0600 0.04 A 43 GLU HA H 1 3.7900 0.04 A 43 GLU HBy H 1 1.9300 0.04 A 43 GLU HGx H 1 1.9600 0.04 A 43 GLU HGy H 1 2.1000 0.04 A 43 GLU C C 13 176.1100 0.4 A 43 GLU CA C 13 57.8500 0.4 A 43 GLU CB C 13 27.8500 0.4 A 43 GLU CG C 13 36.0500 0.4 A 43 GLU N N 15 121.0500 0.4 A 44 HIS H H 1 8.4200 0.04 A 44 HIS HA H 1 4.3510 0.04 A 44 HIS HBx H 1 3.2700 0.04 A 44 HIS HBy H 1 3.3900 0.04 A 44 HIS HD2 H 1 6.9000 0.04 A 44 HIS C C 13 175.1700 0.4 A 44 HIS CA C 13 57.6500 0.4 A 44 HIS CB C 13 28.3700 0.4 A 44 HIS CD2 C 13 120.1900 0.4 A 44 HIS N N 15 114.1000 0.4 A 45 SER H H 1 7.8700 0.04 A 45 SER HA H 1 4.5600 0.04 A 45 SER HBx H 1 3.9500 0.04 A 45 SER HBy H 1 4.0000 0.04 A 45 SER C C 13 173.7000 0.4 A 45 SER CA C 13 58.7100 0.4 A 45 SER CB C 13 64.5000 0.4 A 45 SER N N 15 115.5400 0.4 A 46 ASN H H 1 9.4800 0.04 A 46 ASN HA H 1 5.1200 0.04 A 46 ASN HBx H 1 2.8400 0.04 A 46 ASN HBy H 1 2.9000 0.04 A 46 ASN HD2y H 1 7.6800 0.04 A 46 ASN HD2x H 1 7.0100 0.04 A 46 ASN C C 13 176.3000 0.4 A 46 ASN CA C 13 52.6900 0.4 A 46 ASN CB C 13 38.7300 0.4 A 46 ASN N N 15 123.9000 0.4 A 46 ASN ND2 N 15 113.2000 0.4 A 47 ILE H H 1 8.1700 0.04 A 47 ILE HA H 1 3.9400 0.04 A 47 ILE HB H 1 1.5400 0.04 A 47 ILE HD1% H 1 0.6500 0.04 A 47 ILE HG12 H 1 1.1900 0.04 A 47 ILE HG13 H 1 1.4100 0.04 A 47 ILE HG2% H 1 1.0700 0.04 A 47 ILE C C 13 176.0000 0.4 A 47 ILE CA C 13 63.2000 0.4 A 47 ILE CB C 13 36.7000 0.4 A 47 ILE CD1 C 13 14.0000 0.4 A 47 ILE CG1 C 13 25.3300 0.4 A 47 ILE CG2 C 13 17.7400 0.4 A 47 ILE N N 15 115.2400 0.4 A 48 GLN H H 1 8.8500 0.04 A 48 GLN HA H 1 4.2800 0.04 A 48 GLN HBx H 1 2.0800 0.04 A 48 GLN HBy H 1 2.1800 0.04 A 48 GLN HE2y H 1 7.6300 0.04 A 48 GLN HE2x H 1 7.0900 0.04 A 48 GLN HGx H 1 2.0800 0.04 A 48 GLN HGy H 1 2.4800 0.04 A 48 GLN C C 13 175.6700 0.4 A 48 GLN CA C 13 57.9000 0.4 A 48 GLN CB C 13 26.9900 0.4 A 48 GLN CG C 13 32.6500 0.4 A 48 GLN N N 15 123.2000 0.4 A 48 GLN NE2 N 15 112.2700 0.4 A 49 HIS H H 1 7.4000 0.04 A 49 HIS HA H 1 4.5700 0.04 A 49 HIS HBx H 1 3.0300 0.04 A 49 HIS HBy H 1 3.2700 0.04 A 49 HIS HD2 H 1 7.3680 0.04 A 49 HIS HE1 H 1 7.8600 0.04 A 49 HIS C C 13 176.3800 0.4 A 49 HIS CA C 13 58.7500 0.4 A 49 HIS CB C 13 31.6200 0.4 A 49 HIS CD2 C 13 120.6900 0.4 A 49 HIS CE1 C 13 138.8500 0.4 A 49 HIS N N 15 115.4000 0.4 A 50 PHE H H 1 7.5700 0.04 A 50 PHE HA H 1 5.2300 0.04 A 50 PHE HBx H 1 2.3100 0.04 A 50 PHE HBy H 1 3.4600 0.04 A 50 PHE HDx H 1 7.1700 0.04 A 50 PHE HDy H 1 7.1700 0.04 A 50 PHE HEx H 1 7.2800 0.04 A 50 PHE HEy H 1 7.2800 0.04 A 50 PHE HZ H 1 7.2600 0.04 A 50 PHE C C 13 173.8000 0.4 A 50 PHE CA C 13 56.6600 0.4 A 50 PHE CB C 13 41.0000 0.4 A 50 PHE CDx C 13 133.1900 0.4 A 50 PHE CDy C 13 133.1900 0.4 A 50 PHE CEx C 13 130.9300 0.4 A 50 PHE CEy C 13 131.2300 0.4 A 50 PHE CZ C 13 129.9000 0.4 A 50 PHE N N 15 109.8000 0.4 A 51 VAL H H 1 7.8100 0.04 A 51 VAL HA H 1 4.3700 0.04 A 51 VAL HB H 1 1.6200 0.04 A 51 VAL HGx% H 1 0.3500 0.04 A 51 VAL HGy% H 1 0.3300 0.04 A 51 VAL C C 13 174.5000 0.4 A 51 VAL CA C 13 63.0000 0.4 A 51 VAL CB C 13 33.2800 0.4 A 51 VAL CG1 C 13 22.7000 0.4 A 51 VAL CG2 C 13 21.6000 0.4 A 51 VAL N N 15 127.8100 0.4 A 52 GLU H H 1 9.3800 0.04 A 52 GLU HA H 1 3.9800 0.04 A 52 GLU HBx H 1 1.6400 0.04 A 52 GLU HBy H 1 1.7300 0.04 A 52 GLU HGx H 1 1.9500 0.04 A 52 GLU HGy H 1 2.1300 0.04 A 52 GLU C C 13 175.4000 0.4 A 52 GLU CA C 13 58.0000 0.4 A 52 GLU CB C 13 31.5800 0.4 A 52 GLU CG C 13 35.9000 0.4 A 52 GLU N N 15 130.7000 0.4 A 53 LYS H H 1 7.1900 0.04 A 53 LYS HA H 1 4.8000 0.04 A 53 LYS HBx H 1 1.2600 0.04 A 53 LYS HBy H 1 2.1100 0.04 A 53 LYS HDy H 1 1.1100 0.04 A 53 LYS HEx H 1 1.5400 0.04 A 53 LYS HEy H 1 1.6200 0.04 A 53 LYS HGx H 1 0.6600 0.04 A 53 LYS HGy H 1 0.8600 0.04 A 53 LYS C C 13 172.3000 0.4 A 53 LYS CA C 13 54.8400 0.4 A 53 LYS CB C 13 34.2500 0.4 A 53 LYS CD C 13 29.8500 0.4 A 53 LYS CE C 13 40.5000 0.4 A 53 LYS CG C 13 23.5000 0.4 A 53 LYS N N 15 109.2000 0.4 A 54 VAL H H 1 8.4500 0.04 A 54 VAL HA H 1 4.7700 0.04 A 54 VAL HB H 1 1.5600 0.04 A 54 VAL HGx% H 1 0.0890 0.04 A 54 VAL HGy% H 1 0.1700 0.04 A 54 VAL C C 13 173.6000 0.4 A 54 VAL CA C 13 61.0400 0.4 A 54 VAL CB C 13 34.7000 0.4 A 54 VAL CG1 C 13 22.7000 0.4 A 54 VAL CG2 C 13 22.1900 0.4 A 54 VAL N N 15 120.3800 0.4 A 55 VAL H H 1 9.2600 0.04 A 55 VAL HA H 1 4.7000 0.04 A 55 VAL HB H 1 2.1500 0.04 A 55 VAL HGx% H 1 0.8500 0.04 A 55 VAL HGy% H 1 0.3900 0.04 A 55 VAL C C 13 173.8000 0.4 A 55 VAL CA C 13 60.8700 0.4 A 55 VAL CB C 13 34.1000 0.4 A 55 VAL CG1 C 13 21.4000 0.4 A 55 VAL CG2 C 13 21.1400 0.4 A 55 VAL N N 15 126.9200 0.4 A 56 PHE H H 1 9.2900 0.04 A 56 PHE HA H 1 4.7220 0.04 A 56 PHE HBx H 1 2.7340 0.04 A 56 PHE HBy H 1 3.0500 0.04 A 56 PHE HDx H 1 7.0600 0.04 A 56 PHE HDy H 1 7.0600 0.04 A 56 PHE HEx H 1 7.0100 0.04 A 56 PHE HEy H 1 7.0100 0.04 A 56 PHE HZ H 1 7.0440 0.04 A 56 PHE C C 13 174.0000 0.4 A 56 PHE CA C 13 56.5800 0.4 A 56 PHE CB C 13 40.8900 0.4 A 56 PHE CDx C 13 132.7000 0.4 A 56 PHE CDy C 13 132.7000 0.4 A 56 PHE CEx C 13 130.7500 0.4 A 56 PHE CEy C 13 130.7500 0.4 A 56 PHE CZ C 13 128.9000 0.4 A 56 PHE N N 15 126.1300 0.4 A 57 HIS H H 1 8.6900 0.04 A 57 HIS HA H 1 4.8000 0.04 A 57 HIS HBx H 1 2.9400 0.04 A 57 HIS HBy H 1 3.4200 0.04 A 57 HIS HD2 H 1 6.7300 0.04 A 57 HIS HE1 H 1 7.5900 0.04 A 57 HIS C C 13 174.7000 0.4 A 57 HIS CA C 13 55.3200 0.4 A 57 HIS CB C 13 30.1000 0.4 A 57 HIS CD2 C 13 117.3500 0.4 A 57 HIS CE1 C 13 137.5000 0.4 A 57 HIS N N 15 124.1800 0.4 A 58 LEU H H 1 9.0500 0.04 A 58 LEU HA H 1 4.3100 0.04 A 58 LEU HBx H 1 1.5000 0.04 A 58 LEU HBy H 1 2.0800 0.04 A 58 LEU HDx% H 1 0.7000 0.04 A 58 LEU HDy% H 1 0.7350 0.04 A 58 LEU HG H 1 1.8700 0.04 A 58 LEU C C 13 174.4000 0.4 A 58 LEU CA C 13 55.4100 0.4 A 58 LEU CB C 13 41.1600 0.4 A 58 LEU CD1 C 13 24.5700 0.4 A 58 LEU CD2 C 13 23.4100 0.4 A 58 LEU CG C 13 28.7000 0.4 A 58 LEU N N 15 122.0500 0.4 A 59 HIS H H 1 5.1600 0.04 A 59 HIS C C 13 175.3000 0.4 A 59 HIS CA C 13 59.1100 0.4 A 59 HIS CB C 13 30.9300 0.4 A 59 HIS N N 15 118.5100 0.4 A 60 GLU H H 1 7.9600 0.04 A 60 GLU HA H 1 3.9600 0.04 A 60 GLU HBy H 1 1.9400 0.04 A 60 GLU HGy H 1 2.0600 0.04 A 60 GLU C C 13 175.1300 0.4 A 60 GLU CA C 13 59.0100 0.4 A 60 GLU CB C 13 28.8200 0.4 A 60 GLU CG C 13 35.8000 0.4 A 60 GLU N N 15 122.1900 0.4 A 61 SER H H 1 8.5400 0.04 A 61 SER HA H 1 4.2000 0.04 A 61 SER HBx H 1 3.9800 0.04 A 61 SER HBy H 1 4.2200 0.04 A 61 SER CA C 13 60.0100 0.4 A 61 SER CB C 13 63.1400 0.4 A 61 SER N N 15 116.9400 0.4 A 62 PHE H H 1 8.6400 0.04 A 62 PHE HA H 1 4.5900 0.04 A 62 PHE HBx H 1 2.7300 0.04 A 62 PHE HBy H 1 3.0300 0.04 A 62 PHE HDx H 1 7.4000 0.04 A 62 PHE HDy H 1 7.4000 0.04 A 62 PHE HEx H 1 7.1800 0.04 A 62 PHE HEy H 1 7.1800 0.04 A 62 PHE HZ H 1 7.0800 0.04 A 62 PHE CA C 13 57.4000 0.4 A 62 PHE CB C 13 38.4000 0.4 A 62 PHE CDx C 13 131.7200 0.4 A 62 PHE CDy C 13 131.7200 0.4 A 62 PHE CEx C 13 131.2600 0.4 A 62 PHE CEy C 13 131.2600 0.4 A 62 PHE N N 15 123.7000 0.4 A 63 PRO HA H 1 4.4100 0.04 A 63 PRO HBx H 1 1.9400 0.04 A 63 PRO HBy H 1 2.3600 0.04 A 63 PRO HDx H 1 3.8400 0.04 A 63 PRO HDy H 1 3.9500 0.04 A 63 PRO HGy H 1 2.1600 0.04 A 63 PRO C C 13 176.4000 0.4 A 63 PRO CA C 13 62.6000 0.4 A 63 PRO CB C 13 31.8600 0.4 A 63 PRO CD C 13 50.5000 0.4 A 63 PRO CG C 13 27.5700 0.4 A 64 ARG H H 1 8.8900 0.04 A 64 ARG HA H 1 4.1000 0.04 A 64 ARG HBy H 1 1.8800 0.04 A 64 ARG HDx H 1 3.2700 0.04 A 64 ARG HDy H 1 3.3400 0.04 A 64 ARG HGy H 1 1.6500 0.04 A 64 ARG CA C 13 55.6100 0.4 A 64 ARG CB C 13 28.8300 0.4 A 64 ARG CD C 13 43.4000 0.4 A 64 ARG CG C 13 27.2200 0.4 A 64 ARG N N 15 116.8400 0.4 A 65 PRO HA H 1 3.9900 0.04 A 65 PRO HBx H 1 2.0000 0.04 A 65 PRO HBy H 1 2.2300 0.04 A 65 PRO HDx H 1 3.6600 0.04 A 65 PRO HDy H 1 3.9500 0.04 A 65 PRO HGx H 1 1.9200 0.04 A 65 PRO HGy H 1 2.1000 0.04 A 65 PRO C C 13 175.8000 0.4 A 65 PRO CA C 13 65.8100 0.4 A 65 PRO CB C 13 31.8800 0.4 A 65 PRO CD C 13 49.9000 0.4 A 65 PRO CG C 13 27.3600 0.4 A 66 LYS H H 1 7.6300 0.04 A 66 LYS HA H 1 4.6100 0.04 A 66 LYS HBx H 1 1.6100 0.04 A 66 LYS HBy H 1 1.7100 0.04 A 66 LYS HDy H 1 1.6160 0.04 A 66 LYS HEy H 1 2.8900 0.04 A 66 LYS HGx H 1 0.9500 0.04 A 66 LYS HGy H 1 1.0200 0.04 A 66 LYS C C 13 175.4000 0.4 A 66 LYS CA C 13 55.4530 0.4 A 66 LYS CB C 13 31.7300 0.4 A 66 LYS CD C 13 29.3200 0.4 A 66 LYS CE C 13 41.7500 0.4 A 66 LYS CG C 13 25.5900 0.4 A 66 LYS N N 15 119.0350 0.4 A 67 ARG H H 1 8.8550 0.04 A 67 ARG HA H 1 4.7400 0.04 A 67 ARG HBx H 1 1.8500 0.04 A 67 ARG HBy H 1 2.1700 0.04 A 67 ARG HDy H 1 3.2400 0.04 A 67 ARG HGy H 1 1.7400 0.04 A 67 ARG C C 13 174.5000 0.4 A 67 ARG CA C 13 52.8000 0.4 A 67 ARG CB C 13 29.7140 0.4 A 67 ARG CD C 13 41.7000 0.4 A 67 ARG CG C 13 26.0400 0.4 A 67 ARG N N 15 127.3940 0.4 A 68 VAL H H 1 8.6810 0.04 A 68 VAL HA H 1 4.5800 0.04 A 68 VAL HB H 1 2.0600 0.04 A 68 VAL HGx% H 1 0.9100 0.04 A 68 VAL HGy% H 1 0.8300 0.04 A 68 VAL C C 13 176.8500 0.4 A 68 VAL CA C 13 62.0730 0.4 A 68 VAL CB C 13 33.6040 0.4 A 68 VAL CG1 C 13 21.6600 0.4 A 68 VAL CG2 C 13 21.4000 0.4 A 68 VAL N N 15 124.3880 0.4 A 69 CYS H H 1 9.4550 0.04 A 69 CYS HA H 1 5.0700 0.04 A 69 CYS HBx H 1 3.1500 0.04 A 69 CYS HBy H 1 3.3700 0.04 A 69 CYS CA C 13 58.3460 0.4 A 69 CYS CB C 13 30.1700 0.4 A 69 CYS N N 15 127.0800 0.4 A 70 LYS H H 1 9.0500 0.04 A 70 LYS HA H 1 4.4900 0.04 A 70 LYS HBx H 1 1.8300 0.04 A 70 LYS HBy H 1 1.9600 0.04 A 70 LYS HDy H 1 1.7200 0.04 A 70 LYS HEy H 1 2.9800 0.04 A 70 LYS HGx H 1 1.3800 0.04 A 70 LYS HGy H 1 1.5300 0.04 A 70 LYS C C 13 174.3000 0.4 A 70 LYS CA C 13 57.3600 0.4 A 70 LYS CB C 13 33.1700 0.4 A 70 LYS CD C 13 29.0400 0.4 A 70 LYS CE C 13 41.5500 0.4 A 70 LYS CG C 13 25.5900 0.4 A 70 LYS N N 15 125.4800 0.4 A 71 ASP H H 1 7.6200 0.04 A 71 ASP HA H 1 5.1000 0.04 A 71 ASP HBx H 1 2.2000 0.04 A 71 ASP HBy H 1 2.6200 0.04 A 71 ASP CA C 13 51.0800 0.4 A 71 ASP CB C 13 43.3800 0.4 A 71 ASP N N 15 116.9400 0.4 A 72 PRO HA H 1 3.2600 0.04 A 72 PRO HBx H 1 1.6400 0.04 A 72 PRO HBy H 1 1.8400 0.04 A 72 PRO HDx H 1 3.5600 0.04 A 72 PRO HDy H 1 3.6100 0.04 A 72 PRO HGy H 1 1.8600 0.04 A 72 PRO CA C 13 60.6500 0.4 A 72 PRO CB C 13 30.0400 0.4 A 72 PRO CD C 13 49.9200 0.4 A 72 PRO CG C 13 26.6400 0.4 A 73 PRO HA H 1 4.1000 0.04 A 73 PRO HBx H 1 1.8400 0.04 A 73 PRO HBy H 1 2.3300 0.04 A 73 PRO HDx H 1 3.3950 0.04 A 73 PRO HDy H 1 3.6100 0.04 A 73 PRO HGy H 1 1.9000 0.04 A 73 PRO C C 13 174.7000 0.4 A 73 PRO CA C 13 61.6900 0.4 A 73 PRO CB C 13 34.0400 0.4 A 73 PRO CD C 13 50.1800 0.4 A 73 PRO CG C 13 24.8000 0.4 A 74 TYR H H 1 8.9600 0.04 A 74 TYR HA H 1 4.8500 0.04 A 74 TYR HBx H 1 2.6600 0.04 A 74 TYR HBy H 1 4.1080 0.04 A 74 TYR HDx H 1 7.0600 0.04 A 74 TYR HDy H 1 7.0600 0.04 A 74 TYR HEx H 1 6.3100 0.04 A 74 TYR HEy H 1 6.3100 0.04 A 74 TYR C C 13 172.9000 0.4 A 74 TYR CA C 13 55.6700 0.4 A 74 TYR CB C 13 35.4000 0.4 A 74 TYR CDx C 13 133.4000 0.4 A 74 TYR CDy C 13 133.4000 0.4 A 74 TYR CEx C 13 117.1700 0.4 A 74 TYR CEy C 13 117.1700 0.4 A 74 TYR N N 15 125.4000 0.4 A 75 LYS H H 1 7.6700 0.04 A 75 LYS HA H 1 5.5900 0.04 A 75 LYS HBx H 1 1.7700 0.04 A 75 LYS HBy H 1 1.8700 0.04 A 75 LYS HDx H 1 1.5200 0.04 A 75 LYS HDy H 1 1.5800 0.04 A 75 LYS HEy H 1 2.8500 0.04 A 75 LYS HGy H 1 1.2400 0.04 A 75 LYS C C 13 173.8000 0.4 A 75 LYS CA C 13 54.6500 0.4 A 75 LYS CB C 13 35.8900 0.4 A 75 LYS CD C 13 30.0400 0.4 A 75 LYS CE C 13 41.8000 0.4 A 75 LYS CG C 13 23.2300 0.4 A 75 LYS N N 15 121.4000 0.4 A 76 VAL H H 1 8.1800 0.04 A 76 VAL HA H 1 3.8900 0.04 A 76 VAL HB H 1 1.4500 0.04 A 76 VAL HGx% H 1 0.7100 0.04 A 76 VAL HGy% H 1 0.2800 0.04 A 76 VAL C C 13 173.9000 0.4 A 76 VAL CA C 13 61.7300 0.4 A 76 VAL CB C 13 35.5400 0.4 A 76 VAL CG1 C 13 22.0000 0.4 A 76 VAL CG2 C 13 21.6000 0.4 A 76 VAL N N 15 119.8000 0.4 A 77 GLU H H 1 8.2700 0.04 A 77 GLU HA H 1 4.9500 0.04 A 77 GLU HBx H 1 1.7800 0.04 A 77 GLU HBy H 1 1.9500 0.04 A 77 GLU HGy H 1 2.0700 0.04 A 77 GLU C C 13 174.7000 0.4 A 77 GLU CA C 13 54.9400 0.4 A 77 GLU CB C 13 31.5500 0.4 A 77 GLU CG C 13 37.2000 0.4 A 77 GLU N N 15 126.1900 0.4 A 78 GLU H H 1 7.8700 0.04 A 78 GLU HA H 1 4.4500 0.04 A 78 GLU HBx H 1 -0.6820 0.04 A 78 GLU HBy H 1 1.2700 0.04 A 78 GLU HGx H 1 1.5300 0.04 A 78 GLU HGy H 1 1.8000 0.04 A 78 GLU C C 13 175.4000 0.4 A 78 GLU CA C 13 54.0000 0.4 A 78 GLU CB C 13 37.1000 0.4 A 78 GLU CG C 13 36.7000 0.4 A 78 GLU N N 15 126.1800 0.4 A 79 SER H H 1 7.7140 0.04 A 79 SER HA H 1 5.5600 0.04 A 79 SER HBx H 1 3.5600 0.04 A 79 SER HBy H 1 4.1500 0.04 A 79 SER C C 13 172.4900 0.4 A 79 SER CA C 13 57.7540 0.4 A 79 SER CB C 13 65.8610 0.4 A 79 SER N N 15 112.1090 0.4 A 80 GLY H H 1 8.8280 0.04 A 80 GLY HAx H 1 3.7400 0.04 A 80 GLY HAy H 1 4.4400 0.04 A 80 GLY C C 13 172.6300 0.4 A 80 GLY CA C 13 45.7000 0.4 A 80 GLY N N 15 106.0480 0.4 A 81 TYR H H 1 8.7700 0.04 A 81 TYR HA H 1 5.6800 0.04 A 81 TYR HBx H 1 3.0800 0.04 A 81 TYR HBy H 1 3.7000 0.04 A 81 TYR HDx H 1 6.9400 0.04 A 81 TYR HDy H 1 6.9400 0.04 A 81 TYR HEx H 1 6.7400 0.04 A 81 TYR HEy H 1 6.7400 0.04 A 81 TYR C C 13 174.1000 0.4 A 81 TYR CA C 13 55.5000 0.4 A 81 TYR CB C 13 41.0000 0.4 A 81 TYR CDx C 13 133.5000 0.4 A 81 TYR CDy C 13 133.5000 0.4 A 81 TYR CEx C 13 118.0000 0.4 A 81 TYR CEy C 13 118.0000 0.4 A 81 TYR N N 15 115.2800 0.4 A 82 ALA H H 1 7.1600 0.04 A 82 ALA HA H 1 4.4400 0.04 A 82 ALA HB% H 1 0.9700 0.04 A 82 ALA CA C 13 51.0400 0.4 A 82 ALA CB C 13 22.4000 0.4 A 82 ALA N N 15 122.3500 0.4 A 83 GLY H H 1 8.2200 0.04 A 83 GLY HAx H 1 3.9000 0.04 A 83 GLY HAy H 1 4.1700 0.04 A 83 GLY C C 13 172.5000 0.4 A 83 GLY CA C 13 44.6100 0.4 A 83 GLY N N 15 107.1000 0.4 A 84 PHE H H 1 7.7000 0.04 A 84 PHE HA H 1 4.6900 0.04 A 84 PHE HBx H 1 3.0700 0.04 A 84 PHE HBy H 1 3.4100 0.04 A 84 PHE HDx H 1 7.2300 0.04 A 84 PHE HDy H 1 7.2300 0.04 A 84 PHE HEx H 1 7.4400 0.04 A 84 PHE HEy H 1 7.4400 0.04 A 84 PHE HZ H 1 7.0400 0.04 A 84 PHE C C 13 172.4600 0.4 A 84 PHE CA C 13 56.5000 0.4 A 84 PHE CB C 13 38.5800 0.4 A 84 PHE CDx C 13 133.9000 0.4 A 84 PHE CDy C 13 133.9000 0.4 A 84 PHE CEx C 13 130.9500 0.4 A 84 PHE CEy C 13 130.9500 0.4 A 84 PHE CZ C 13 129.0900 0.4 A 84 PHE N N 15 111.6600 0.4 A 85 ILE H H 1 8.3400 0.04 A 85 ILE HA H 1 4.3100 0.04 A 85 ILE HB H 1 2.0000 0.04 A 85 ILE HD1% H 1 0.5500 0.04 A 85 ILE HG12 H 1 1.3200 0.04 A 85 ILE HG13 H 1 1.4000 0.04 A 85 ILE HG2% H 1 0.6400 0.04 A 85 ILE CA C 13 59.3400 0.4 A 85 ILE CB C 13 35.2600 0.4 A 85 ILE CD1 C 13 9.3700 0.4 A 85 ILE CG1 C 13 26.6400 0.4 A 85 ILE CG2 C 13 16.9600 0.4 A 85 ILE N N 15 117.8100 0.4 A 86 LEU H H 1 9.9000 0.04 A 86 LEU HA H 1 4.9800 0.04 A 86 LEU HBx H 1 1.2200 0.04 A 86 LEU HBy H 1 2.0800 0.04 A 86 LEU HDx% H 1 0.7300 0.04 A 86 LEU HDy% H 1 0.9100 0.04 A 86 LEU HG H 1 1.8900 0.04 A 86 LEU CA C 13 53.2000 0.4 A 86 LEU CB C 13 45.3000 0.4 A 86 LEU CD1 C 13 27.5300 0.4 A 86 LEU CD2 C 13 27.3000 0.4 A 86 LEU CG C 13 29.3000 0.4 A 86 LEU N N 15 108.1300 0.4 A 87 PRO HA H 1 5.1000 0.04 A 87 PRO HBx H 1 1.7500 0.04 A 87 PRO HBy H 1 2.0500 0.04 A 87 PRO HDx H 1 4.2400 0.04 A 87 PRO HDy H 1 4.5400 0.04 A 87 PRO HGx H 1 1.8200 0.04 A 87 PRO HGy H 1 2.0400 0.04 A 87 PRO C C 13 175.3400 0.4 A 87 PRO CA C 13 63.1100 0.4 A 87 PRO CB C 13 31.5600 0.4 A 87 PRO CD C 13 50.9000 0.4 A 87 PRO CG C 13 28.5800 0.4 A 88 ILE H H 1 9.3800 0.04 A 88 ILE HA H 1 4.7900 0.04 A 88 ILE HB H 1 1.6200 0.04 A 88 ILE HD1% H 1 0.5880 0.04 A 88 ILE HG12 H 1 0.7500 0.04 A 88 ILE HG13 H 1 2.2400 0.04 A 88 ILE HG2% H 1 0.2970 0.04 A 88 ILE C C 13 176.1000 0.4 A 88 ILE CA C 13 60.5600 0.4 A 88 ILE CB C 13 42.0000 0.4 A 88 ILE CD1 C 13 14.0600 0.4 A 88 ILE CG1 C 13 27.8000 0.4 A 88 ILE CG2 C 13 16.9000 0.4 A 88 ILE N N 15 126.0000 0.4 A 89 GLU H H 1 9.3200 0.04 A 89 GLU HA H 1 5.2000 0.04 A 89 GLU HBx H 1 1.6600 0.04 A 89 GLU HBy H 1 2.2200 0.04 A 89 GLU HGx H 1 1.8100 0.04 A 89 GLU HGy H 1 2.1400 0.04 A 89 GLU C C 13 173.8000 0.4 A 89 GLU CA C 13 53.9700 0.4 A 89 GLU CB C 13 34.3800 0.4 A 89 GLU CG C 13 37.9700 0.4 A 89 GLU N N 15 123.9000 0.4 A 90 VAL H H 1 8.6300 0.04 A 90 VAL HA H 1 4.1600 0.04 A 90 VAL HB H 1 1.8300 0.04 A 90 VAL HGx% H 1 0.5700 0.04 A 90 VAL HGy% H 1 0.8200 0.04 A 90 VAL C C 13 174.8000 0.4 A 90 VAL CA C 13 61.3900 0.4 A 90 VAL CB C 13 32.4900 0.4 A 90 VAL CG1 C 13 22.2000 0.4 A 90 VAL CG2 C 13 20.6000 0.4 A 90 VAL N N 15 123.9800 0.4 A 91 TYR H H 1 8.6400 0.04 A 91 TYR HA H 1 4.6600 0.04 A 91 TYR HBy H 1 2.9800 0.04 A 91 TYR HDx H 1 6.9900 0.04 A 91 TYR HDy H 1 6.9900 0.04 A 91 TYR HEx H 1 6.7100 0.04 A 91 TYR HEy H 1 6.7100 0.04 A 91 TYR C C 13 176.8000 0.4 A 91 TYR CA C 13 56.7000 0.4 A 91 TYR CB C 13 40.2400 0.4 A 91 TYR CDx C 13 133.1800 0.4 A 91 TYR CDy C 13 133.1800 0.4 A 91 TYR CEx C 13 118.9300 0.4 A 91 TYR CEy C 13 118.9300 0.4 A 91 TYR N N 15 124.2300 0.4 A 92 PHE H H 1 8.7500 0.04 A 92 PHE HA H 1 5.6600 0.04 A 92 PHE HBx H 1 2.8300 0.04 A 92 PHE HBy H 1 3.4200 0.04 A 92 PHE HDx H 1 7.4500 0.04 A 92 PHE HDy H 1 7.4500 0.04 A 92 PHE HEx H 1 7.1900 0.04 A 92 PHE HEy H 1 7.1900 0.04 A 92 PHE HZ H 1 7.2100 0.04 A 92 PHE CA C 13 56.5100 0.4 A 92 PHE CB C 13 42.0000 0.4 A 92 PHE CDx C 13 131.6000 0.4 A 92 PHE CDy C 13 131.6000 0.4 A 92 PHE CEx C 13 130.5500 0.4 A 92 PHE CEy C 13 130.5500 0.4 A 92 PHE CZ C 13 129.7000 0.4 A 92 PHE N N 15 121.2000 0.4 A 93 LYS H H 1 8.5600 0.04 A 93 LYS HA H 1 4.6000 0.04 A 93 LYS HBx H 1 1.6100 0.04 A 93 LYS HBy H 1 2.1300 0.04 A 93 LYS HDx H 1 1.5500 0.04 A 93 LYS HDy H 1 1.7100 0.04 A 93 LYS HEx H 1 3.0200 0.04 A 93 LYS HEy H 1 3.1800 0.04 A 93 LYS HGx H 1 1.1000 0.04 A 93 LYS HGy H 1 1.3700 0.04 A 93 LYS C C 13 174.2000 0.4 A 93 LYS CA C 13 55.1800 0.4 A 93 LYS CB C 13 31.6800 0.4 A 93 LYS CD C 13 30.1100 0.4 A 93 LYS CE C 13 42.0300 0.4 A 93 LYS CG C 13 25.5400 0.4 A 93 LYS N N 15 123.4500 0.4 A 94 ASN H H 1 7.8200 0.04 A 94 ASN HA H 1 4.4400 0.04 A 94 ASN HBx H 1 1.8200 0.04 A 94 ASN HBy H 1 1.9000 0.04 A 94 ASN CA C 13 51.2100 0.4 A 94 ASN CB C 13 39.8000 0.4 A 94 ASN N N 15 118.8000 0.4 A 95 LYS HA H 1 4.3300 0.04 A 95 LYS HBx H 1 1.7500 0.04 A 95 LYS HBy H 1 1.9300 0.04 A 95 LYS HDy H 1 1.6900 0.04 A 95 LYS HEy H 1 2.9800 0.04 A 95 LYS HGx H 1 1.4000 0.04 A 95 LYS HGy H 1 1.4400 0.04 A 95 LYS C C 13 175.8000 0.4 A 95 LYS CA C 13 56.2100 0.4 A 95 LYS CB C 13 33.0100 0.4 A 95 LYS CD C 13 29.1000 0.4 A 95 LYS CE C 13 42.0300 0.4 A 95 LYS CG C 13 25.0700 0.4 A 96 GLU H H 1 7.1200 0.04 A 96 GLU HA H 1 4.5100 0.04 A 96 GLU HBx H 1 1.9000 0.04 A 96 GLU HBy H 1 2.1400 0.04 A 96 GLU HGx H 1 2.0200 0.04 A 96 GLU HGy H 1 2.1500 0.04 A 96 GLU C C 13 173.2000 0.4 A 96 GLU CA C 13 54.1000 0.4 A 96 GLU CB C 13 31.4700 0.4 A 96 GLU CG C 13 35.6900 0.4 A 96 GLU N N 15 118.3300 0.4 A 97 GLU H H 1 8.0600 0.04 A 97 GLU HA H 1 4.4300 0.04 A 97 GLU HBx H 1 1.8200 0.04 A 97 GLU HBy H 1 2.0600 0.04 A 97 GLU HGx H 1 2.3100 0.04 A 97 GLU HGy H 1 2.4200 0.04 A 97 GLU CA C 13 54.8600 0.4 A 97 GLU CB C 13 29.2700 0.4 A 97 GLU CG C 13 35.5000 0.4 A 97 GLU N N 15 115.6300 0.4 A 98 PRO HA H 1 5.0000 0.04 A 98 PRO HBx H 1 2.2100 0.04 A 98 PRO HBy H 1 2.4400 0.04 A 98 PRO HDy H 1 3.6800 0.04 A 98 PRO HGx H 1 2.0600 0.04 A 98 PRO HGy H 1 2.2000 0.04 A 98 PRO C C 13 175.9000 0.4 A 98 PRO CA C 13 62.1600 0.4 A 98 PRO CB C 13 34.0000 0.4 A 98 PRO CD C 13 50.1000 0.4 A 98 PRO CG C 13 24.8000 0.4 A 99 ARG H H 1 8.6020 0.04 A 99 ARG HA H 1 4.6300 0.04 A 99 ARG HBx H 1 1.8100 0.04 A 99 ARG HBy H 1 1.9800 0.04 A 99 ARG HDx H 1 3.0900 0.04 A 99 ARG HDy H 1 3.3200 0.04 A 99 ARG HGx H 1 1.5800 0.04 A 99 ARG HGy H 1 1.6100 0.04 A 99 ARG C C 13 175.8000 0.4 A 99 ARG CA C 13 56.2000 0.4 A 99 ARG CB C 13 30.4100 0.4 A 99 ARG CD C 13 41.8000 0.4 A 99 ARG CG C 13 27.4200 0.4 A 99 ARG N N 15 122.8000 0.4 A 100 LYS H H 1 7.6500 0.04 A 100 LYS HA H 1 4.9400 0.04 A 100 LYS HBx H 1 0.6000 0.04 A 100 LYS HBy H 1 0.8600 0.04 A 100 LYS HDx H 1 0.8000 0.04 A 100 LYS HDy H 1 0.9800 0.04 A 100 LYS HEx H 1 2.6400 0.04 A 100 LYS HEy H 1 2.7300 0.04 A 100 LYS HGx H 1 0.5400 0.04 A 100 LYS HGy H 1 0.8800 0.04 A 100 LYS C C 13 174.1000 0.4 A 100 LYS CA C 13 53.3910 0.4 A 100 LYS CB C 13 34.7200 0.4 A 100 LYS CD C 13 30.0400 0.4 A 100 LYS CE C 13 42.3300 0.4 A 100 LYS CG C 13 22.1900 0.4 A 100 LYS N N 15 113.2200 0.4 A 101 VAL H H 1 8.1200 0.04 A 101 VAL HA H 1 4.2700 0.04 A 101 VAL HB H 1 1.8100 0.04 A 101 VAL HGx% H 1 0.8100 0.04 A 101 VAL HGy% H 1 0.6900 0.04 A 101 VAL C C 13 171.6000 0.4 A 101 VAL CA C 13 60.2600 0.4 A 101 VAL CB C 13 35.1800 0.4 A 101 VAL CG1 C 13 21.2000 0.4 A 101 VAL CG2 C 13 20.6000 0.4 A 101 VAL N N 15 116.2300 0.4 A 102 ARG H H 1 7.9300 0.04 A 102 ARG HA H 1 5.1600 0.04 A 102 ARG HBx H 1 1.4100 0.04 A 102 ARG HBy H 1 1.5200 0.04 A 102 ARG HDx H 1 2.9000 0.04 A 102 ARG HDy H 1 3.0300 0.04 A 102 ARG HGy H 1 1.2000 0.04 A 102 ARG C C 13 174.3400 0.4 A 102 ARG CA C 13 53.7500 0.4 A 102 ARG CB C 13 33.3500 0.4 A 102 ARG CD C 13 43.3800 0.4 A 102 ARG CG C 13 27.6800 0.4 A 102 ARG N N 15 124.9800 0.4 A 103 PHE H H 1 9.3900 0.04 A 103 PHE HA H 1 4.7920 0.04 A 103 PHE HBx H 1 2.6100 0.04 A 103 PHE HBy H 1 2.8800 0.04 A 103 PHE HDx H 1 7.0400 0.04 A 103 PHE HDy H 1 7.0400 0.04 A 103 PHE HEx H 1 7.0800 0.04 A 103 PHE HEy H 1 7.0800 0.04 A 103 PHE HZ H 1 7.0600 0.04 A 103 PHE C C 13 174.2800 0.4 A 103 PHE CA C 13 55.4800 0.4 A 103 PHE CB C 13 42.2500 0.4 A 103 PHE CDx C 13 131.9400 0.4 A 103 PHE CDy C 13 131.9400 0.4 A 103 PHE CEy C 13 130.5500 0.4 A 103 PHE CEx C 13 130.5000 0.4 A 103 PHE CZ C 13 128.9000 0.4 A 103 PHE N N 15 124.5900 0.4 A 104 ASP H H 1 9.0100 0.04 A 104 ASP HA H 1 4.7990 0.04 A 104 ASP HBx H 1 2.1800 0.04 A 104 ASP HBy H 1 2.5500 0.04 A 104 ASP C C 13 174.5000 0.4 A 104 ASP CA C 13 54.3900 0.4 A 104 ASP CB C 13 40.2300 0.4 A 104 ASP N N 15 124.7000 0.4 A 105 TYR H H 1 8.1400 0.04 A 105 TYR HA H 1 4.0700 0.04 A 105 TYR HBx H 1 2.4200 0.04 A 105 TYR HBy H 1 3.5400 0.04 A 105 TYR HDx H 1 6.4300 0.04 A 105 TYR HDy H 1 6.4300 0.04 A 105 TYR HEx H 1 6.0800 0.04 A 105 TYR HEy H 1 6.0800 0.04 A 105 TYR C C 13 173.1000 0.4 A 105 TYR CA C 13 58.6800 0.4 A 105 TYR CB C 13 41.8500 0.4 A 105 TYR CDx C 13 131.6000 0.4 A 105 TYR CDy C 13 131.6000 0.4 A 105 TYR CEx C 13 117.1700 0.4 A 105 TYR CEy C 13 117.1700 0.4 A 105 TYR N N 15 129.8400 0.4 A 106 ASP H H 1 7.7300 0.04 A 106 ASP HA H 1 4.2200 0.04 A 106 ASP HBx H 1 2.1300 0.04 A 106 ASP HBy H 1 2.5100 0.04 A 106 ASP C C 13 172.9000 0.4 A 106 ASP CA C 13 53.5100 0.4 A 106 ASP CB C 13 39.5000 0.4 A 106 ASP N N 15 126.8000 0.4 A 107 LEU H H 1 7.7700 0.04 A 107 LEU HA H 1 2.8400 0.04 A 107 LEU HBx H 1 0.1800 0.04 A 107 LEU HBy H 1 1.1300 0.04 A 107 LEU HDx% H 1 -0.6400 0.04 A 107 LEU HDy% H 1 -0.8800 0.04 A 107 LEU HG H 1 -0.1400 0.04 A 107 LEU C C 13 172.1000 0.4 A 107 LEU CA C 13 53.2000 0.4 A 107 LEU CB C 13 39.2400 0.4 A 107 LEU CD1 C 13 24.2700 0.4 A 107 LEU CD2 C 13 23.5000 0.4 A 107 LEU CG C 13 27.6000 0.4 A 107 LEU N N 15 132.1500 0.4 A 108 PHE H H 1 6.0600 0.04 A 108 PHE HA H 1 4.6900 0.04 A 108 PHE HBx H 1 2.6400 0.04 A 108 PHE HBy H 1 2.9500 0.04 A 108 PHE HDx H 1 6.8160 0.04 A 108 PHE HDy H 1 6.8160 0.04 A 108 PHE HEx H 1 6.8800 0.04 A 108 PHE HEy H 1 6.8800 0.04 A 108 PHE HZ H 1 7.0600 0.04 A 108 PHE C C 13 174.3000 0.4 A 108 PHE CA C 13 54.6900 0.4 A 108 PHE CB C 13 40.2900 0.4 A 108 PHE CDx C 13 132.9900 0.4 A 108 PHE CDy C 13 132.9900 0.4 A 108 PHE CEx C 13 131.9700 0.4 A 108 PHE CEy C 13 131.9700 0.4 A 108 PHE CZ C 13 130.3500 0.4 A 108 PHE N N 15 118.9600 0.4 A 109 LEU H H 1 8.3880 0.04 A 109 LEU HA H 1 4.4000 0.04 A 109 LEU HBx H 1 0.7040 0.04 A 109 LEU HBy H 1 1.1100 0.04 A 109 LEU HDx% H 1 -0.0700 0.04 A 109 LEU HDy% H 1 0.2380 0.04 A 109 LEU HG H 1 1.0100 0.04 A 109 LEU CA C 13 52.1600 0.4 A 109 LEU CB C 13 43.0800 0.4 A 109 LEU CD1 C 13 23.0000 0.4 A 109 LEU CD2 C 13 22.2000 0.4 A 109 LEU CG C 13 26.5000 0.4 A 109 LEU N N 15 118.9000 0.4 A 110 HIS HE1 H 1 7.9500 0.04 A 110 HIS CE1 C 13 139.0100 0.4 A 111 LEU HA H 1 4.4400 0.04 A 111 LEU HBx H 1 1.4200 0.04 A 111 LEU HBy H 1 1.6600 0.04 A 111 LEU HDx% H 1 0.8100 0.04 A 111 LEU HDy% H 1 0.9650 0.04 A 111 LEU HG H 1 1.4600 0.04 A 111 LEU C C 13 177.3000 0.4 A 111 LEU CA C 13 54.2200 0.4 A 111 LEU CB C 13 43.8700 0.4 A 111 LEU CD1 C 13 25.3300 0.4 A 111 LEU CD2 C 13 22.8900 0.4 A 111 LEU CG C 13 27.3000 0.4 A 112 GLU H H 1 8.7800 0.04 A 112 GLU HA H 1 4.1700 0.04 A 112 GLU HBx H 1 2.0300 0.04 A 112 GLU HBy H 1 2.0900 0.04 A 112 GLU HGy H 1 2.3100 0.04 A 112 GLU CA C 13 58.4600 0.4 A 112 GLU CB C 13 29.1900 0.4 A 112 GLU CG C 13 36.0900 0.4 A 112 GLU N N 15 120.6600 0.4 A 113 GLY HAx H 1 3.6800 0.04 A 113 GLY HAy H 1 4.3000 0.04 A 113 GLY C C 13 173.9000 0.4 A 113 GLY CA C 13 44.9500 0.4 A 114 HIS H H 1 7.9340 0.04 A 114 HIS HA H 1 4.9060 0.04 A 114 HIS HBx H 1 3.1400 0.04 A 114 HIS HBy H 1 3.2870 0.04 A 114 HIS HD2 H 1 6.8900 0.04 A 114 HIS CA C 13 54.7700 0.4 A 114 HIS CB C 13 30.5900 0.4 A 114 HIS CD2 C 13 110.5800 0.4 A 114 HIS N N 15 120.8900 0.4 A 115 PRO HA H 1 4.8000 0.04 A 115 PRO HBx H 1 1.9800 0.04 A 115 PRO HBy H 1 2.5500 0.04 A 115 PRO HDx H 1 3.6700 0.04 A 115 PRO HDy H 1 3.9100 0.04 A 115 PRO HGx H 1 2.1000 0.04 A 115 PRO HGy H 1 2.1600 0.04 A 115 PRO CA C 13 62.0900 0.4 A 115 PRO CB C 13 30.6800 0.4 A 115 PRO CD C 13 50.6700 0.4 A 115 PRO CG C 13 27.8000 0.4 A 116 PRO HA H 1 4.2100 0.04 A 116 PRO HBx H 1 1.9600 0.04 A 116 PRO HBy H 1 2.4500 0.04 A 116 PRO HDx H 1 3.7000 0.04 A 116 PRO HDy H 1 3.8800 0.04 A 116 PRO HGx H 1 2.1000 0.04 A 116 PRO HGy H 1 2.1600 0.04 A 116 PRO C C 13 176.6000 0.4 A 116 PRO CB C 13 32.3000 0.4 A 116 PRO CD C 13 50.1600 0.4 A 116 PRO CG C 13 27.5700 0.4 A 117 VAL H H 1 8.8900 0.04 A 117 VAL HA H 1 3.7900 0.04 A 117 VAL HB H 1 1.7100 0.04 A 117 VAL HGx% H 1 0.1800 0.04 A 117 VAL HGy% H 1 0.6100 0.04 A 117 VAL CA C 13 62.7000 0.4 A 117 VAL CB C 13 33.2000 0.4 A 117 VAL CG1 C 13 21.7000 0.4 A 117 VAL CG2 C 13 21.4000 0.4 A 117 VAL N N 15 127.4800 0.4 A 118 ASN HA H 1 4.9900 0.04 A 118 ASN HBx H 1 2.6300 0.04 A 118 ASN HBy H 1 2.8700 0.04 A 118 ASN HD2y H 1 7.5680 0.04 A 118 ASN HD2x H 1 6.7760 0.04 A 118 ASN C C 13 172.7000 0.4 A 118 ASN CA C 13 53.3600 0.4 A 118 ASN CB C 13 39.2000 0.4 A 118 ASN ND2 N 15 111.6400 0.4 A 119 HIS H H 1 8.7900 0.04 A 119 HIS HA H 1 4.8200 0.04 A 119 HIS HBx H 1 2.5400 0.04 A 119 HIS HBy H 1 3.0400 0.04 A 119 HIS C C 13 173.5000 0.4 A 119 HIS CA C 13 56.9700 0.4 A 119 HIS CB C 13 34.2700 0.4 A 119 HIS N N 15 124.9300 0.4 A 120 LEU H H 1 7.4600 0.04 A 120 LEU HA H 1 4.9500 0.04 A 120 LEU HBx H 1 1.3700 0.04 A 120 LEU HBy H 1 1.6200 0.04 A 120 LEU HDx% H 1 0.8400 0.04 A 120 LEU HDy% H 1 0.9500 0.04 A 120 LEU HG H 1 1.4500 0.04 A 120 LEU C C 13 174.0300 0.4 A 120 LEU CA C 13 54.0000 0.4 A 120 LEU CB C 13 46.6000 0.4 A 120 LEU CD1 C 13 25.4200 0.4 A 120 LEU CD2 C 13 24.2600 0.4 A 120 LEU CG C 13 27.1600 0.4 A 120 LEU N N 15 128.2800 0.4 A 121 ARG H H 1 9.8600 0.04 A 121 ARG HA H 1 4.6400 0.04 A 121 ARG HBx H 1 1.9100 0.04 A 121 ARG HBy H 1 2.0900 0.04 A 121 ARG HDx H 1 2.9900 0.04 A 121 ARG HDy H 1 3.5200 0.04 A 121 ARG HGx H 1 1.5300 0.04 A 121 ARG HGy H 1 1.8700 0.04 A 121 ARG C C 13 173.4000 0.4 A 121 ARG CA C 13 54.3600 0.4 A 121 ARG CB C 13 34.2600 0.4 A 121 ARG CD C 13 44.4000 0.4 A 121 ARG CG C 13 26.3700 0.4 A 121 ARG N N 15 128.0600 0.4 A 122 CYS H H 1 8.8350 0.04 A 122 CYS HA H 1 5.0200 0.04 A 122 CYS HBx H 1 2.8800 0.04 A 122 CYS HBy H 1 2.9500 0.04 A 122 CYS C C 13 174.6000 0.4 A 122 CYS CA C 13 58.2900 0.4 A 122 CYS CB C 13 28.0300 0.4 A 122 CYS N N 15 125.2900 0.4 A 123 GLU H H 1 8.9700 0.04 A 123 GLU HA H 1 4.6800 0.04 A 123 GLU HBx H 1 1.2100 0.04 A 123 GLU HBy H 1 2.0300 0.04 A 123 GLU HGx H 1 1.4700 0.04 A 123 GLU HGy H 1 1.7600 0.04 A 123 GLU C C 13 174.5000 0.4 A 123 GLU CA C 13 54.4200 0.4 A 123 GLU CB C 13 32.5830 0.4 A 123 GLU CG C 13 34.6700 0.4 A 123 GLU N N 15 125.9200 0.4 A 124 LYS H H 1 8.6520 0.04 A 124 LYS HA H 1 4.9600 0.04 A 124 LYS HBy H 1 1.6500 0.04 A 124 LYS HDy H 1 1.6100 0.04 A 124 LYS HEy H 1 2.8800 0.04 A 124 LYS HGx H 1 1.2100 0.04 A 124 LYS HGy H 1 1.3800 0.04 A 124 LYS C C 13 175.7000 0.4 A 124 LYS CA C 13 55.3570 0.4 A 124 LYS CB C 13 34.1890 0.4 A 124 LYS CD C 13 29.1500 0.4 A 124 LYS CE C 13 41.8000 0.4 A 124 LYS CG C 13 25.0800 0.4 A 124 LYS N N 15 121.8370 0.4 A 125 LEU H H 1 9.1750 0.04 A 125 LEU HA H 1 4.6500 0.04 A 125 LEU HBx H 1 1.1100 0.04 A 125 LEU HBy H 1 1.5800 0.04 A 125 LEU HDx% H 1 1.0700 0.04 A 125 LEU HDy% H 1 1.0500 0.04 A 125 LEU HG H 1 1.6700 0.04 A 125 LEU C C 13 175.1100 0.4 A 125 LEU CA C 13 53.8540 0.4 A 125 LEU CB C 13 44.2670 0.4 A 125 LEU CD1 C 13 26.3000 0.4 A 125 LEU CD2 C 13 24.8100 0.4 A 125 LEU CG C 13 27.4000 0.4 A 125 LEU N N 15 127.0000 0.4 A 126 THR H H 1 8.3310 0.04 A 126 THR HA H 1 4.6500 0.04 A 126 THR HB H 1 3.7700 0.04 A 126 THR HG2% H 1 0.9400 0.04 A 126 THR C C 13 173.2000 0.4 A 126 THR CA C 13 62.0360 0.4 A 126 THR CB C 13 70.2840 0.4 A 126 THR CG2 C 13 21.7600 0.4 A 126 THR N N 15 117.7790 0.4 A 127 PHE H H 1 9.0510 0.04 A 127 PHE HA H 1 4.5900 0.04 A 127 PHE HBx H 1 2.6500 0.04 A 127 PHE HBy H 1 2.9500 0.04 A 127 PHE HDx H 1 6.9800 0.04 A 127 PHE HDy H 1 6.9800 0.04 A 127 PHE HEx H 1 6.6400 0.04 A 127 PHE HEy H 1 6.6400 0.04 A 127 PHE HZ H 1 5.8900 0.04 A 127 PHE C C 13 174.8600 0.4 A 127 PHE CA C 13 56.8640 0.4 A 127 PHE CB C 13 39.0000 0.4 A 127 PHE CDx C 13 132.2100 0.4 A 127 PHE CDy C 13 132.2100 0.4 A 127 PHE CEx C 13 130.6500 0.4 A 127 PHE CEy C 13 130.6500 0.4 A 127 PHE CZ C 13 128.7000 0.4 A 127 PHE N N 15 126.5760 0.4 A 128 ASN H H 1 8.8800 0.04 A 128 ASN HA H 1 4.6200 0.04 A 128 ASN HBy H 1 2.6700 0.04 A 128 ASN HD2y H 1 7.5400 0.04 A 128 ASN HD2x H 1 6.8400 0.04 A 128 ASN CA C 13 54.4800 0.4 A 128 ASN CB C 13 39.4600 0.4 A 128 ASN N N 15 123.0400 0.4 A 128 ASN ND2 N 15 112.7400 0.4 A 129 ASN HA H 1 4.7600 0.04 A 129 ASN HBx H 1 2.6500 0.04 A 129 ASN HBy H 1 2.8500 0.04 A 129 ASN HD2y H 1 7.6000 0.04 A 129 ASN HD2x H 1 6.8000 0.04 A 129 ASN CA C 13 52.9000 0.4 A 129 ASN CB C 13 38.7300 0.4 A 129 ASN ND2 N 15 112.3400 0.4 A 130 PRO HA H 1 4.7900 0.04 A 130 PRO HBx H 1 1.9700 0.04 A 130 PRO HBy H 1 2.0500 0.04 A 130 PRO HDx H 1 3.4100 0.04 A 130 PRO HDy H 1 3.7000 0.04 A 130 PRO HGy H 1 1.6100 0.04 A 130 PRO C C 13 177.4700 0.4 A 130 PRO CA C 13 62.5740 0.4 A 130 PRO CB C 13 32.3100 0.4 A 130 PRO CD C 13 50.1500 0.4 A 130 PRO CG C 13 27.0600 0.4 A 131 THR H H 1 8.9500 0.04 A 131 THR HA H 1 4.3000 0.04 A 131 THR HB H 1 4.6700 0.04 A 131 THR HG2% H 1 1.4500 0.04 A 131 THR C C 13 175.2000 0.4 A 131 THR CA C 13 62.2000 0.4 A 131 THR CB C 13 70.6000 0.4 A 131 THR CG2 C 13 22.1900 0.4 A 131 THR N N 15 113.4000 0.4 A 132 GLU H H 1 8.9320 0.04 A 132 GLU HA H 1 4.0100 0.04 A 132 GLU HBx H 1 2.0100 0.04 A 132 GLU HBy H 1 2.1100 0.04 A 132 GLU HGy H 1 2.3300 0.04 A 132 GLU C C 13 178.7000 0.4 A 132 GLU CA C 13 60.2940 0.4 A 132 GLU CB C 13 29.1610 0.4 A 132 GLU CG C 13 35.7900 0.4 A 132 GLU N N 15 122.1990 0.4 A 133 ASP H H 1 8.4900 0.04 A 133 ASP HA H 1 4.3300 0.04 A 133 ASP HBx H 1 2.5700 0.04 A 133 ASP HBy H 1 2.7100 0.04 A 133 ASP C C 13 177.8000 0.4 A 133 ASP CA C 13 57.3600 0.4 A 133 ASP CB C 13 41.8230 0.4 A 133 ASP N N 15 116.3240 0.4 A 134 PHE H H 1 7.7870 0.04 A 134 PHE HA H 1 4.6100 0.04 A 134 PHE HBx H 1 2.8700 0.04 A 134 PHE HBy H 1 3.3100 0.04 A 134 PHE HDx H 1 7.0800 0.04 A 134 PHE HDy H 1 7.0800 0.04 A 134 PHE HEx H 1 6.5200 0.04 A 134 PHE HEy H 1 6.5200 0.04 A 134 PHE HZ H 1 6.1700 0.04 A 134 PHE C C 13 177.3000 0.4 A 134 PHE CA C 13 59.5380 0.4 A 134 PHE CB C 13 39.2000 0.4 A 134 PHE CDx C 13 131.8000 0.4 A 134 PHE CDy C 13 131.8000 0.4 A 134 PHE CEx C 13 130.7500 0.4 A 134 PHE CEy C 13 130.7500 0.4 A 134 PHE CZ C 13 128.9000 0.4 A 134 PHE N N 15 119.9140 0.4 A 135 ARG H H 1 9.0870 0.04 A 135 ARG HA H 1 3.3500 0.04 A 135 ARG HBx H 1 1.6700 0.04 A 135 ARG HBy H 1 1.8600 0.04 A 135 ARG HDx H 1 3.1500 0.04 A 135 ARG HDy H 1 3.2600 0.04 A 135 ARG HGx H 1 1.3300 0.04 A 135 ARG HGy H 1 1.4500 0.04 A 135 ARG C C 13 177.3700 0.4 A 135 ARG CA C 13 60.3760 0.4 A 135 ARG CB C 13 30.3960 0.4 A 135 ARG CD C 13 43.0000 0.4 A 135 ARG CG C 13 28.1000 0.4 A 135 ARG N N 15 119.7940 0.4 A 136 ARG H H 1 7.7470 0.04 A 136 ARG HA H 1 3.8200 0.04 A 136 ARG HBx H 1 1.8700 0.04 A 136 ARG HBy H 1 1.9400 0.04 A 136 ARG HDy H 1 3.2200 0.04 A 136 ARG HGx H 1 1.6300 0.04 A 136 ARG HGy H 1 1.8800 0.04 A 136 ARG C C 13 178.9500 0.4 A 136 ARG CA C 13 59.3000 0.4 A 136 ARG CB C 13 30.2170 0.4 A 136 ARG CD C 13 43.3800 0.4 A 136 ARG CG C 13 28.2000 0.4 A 136 ARG N N 15 114.5540 0.4 A 137 LYS H H 1 7.1540 0.04 A 137 LYS HA H 1 3.9000 0.04 A 137 LYS HBx H 1 1.9500 0.04 A 137 LYS HBy H 1 2.1200 0.04 A 137 LYS HDy H 1 1.9500 0.04 A 137 LYS HEy H 1 3.2200 0.04 A 137 LYS HGx H 1 1.5400 0.04 A 137 LYS HGy H 1 1.9400 0.04 A 137 LYS C C 13 177.9800 0.4 A 137 LYS CA C 13 60.3950 0.4 A 137 LYS CB C 13 32.4470 0.4 A 137 LYS CD C 13 30.2700 0.4 A 137 LYS CE C 13 42.4300 0.4 A 137 LYS CG C 13 26.3700 0.4 A 137 LYS N N 15 118.2980 0.4 A 138 LEU H H 1 7.7090 0.04 A 138 LEU HA H 1 3.4200 0.04 A 138 LEU HBx H 1 0.6800 0.04 A 138 LEU HBy H 1 1.4800 0.04 A 138 LEU HDx% H 1 -0.3400 0.04 A 138 LEU HDy% H 1 -0.6500 0.04 A 138 LEU HG H 1 0.3140 0.04 A 138 LEU C C 13 179.1000 0.4 A 138 LEU CA C 13 57.2310 0.4 A 138 LEU CB C 13 42.3280 0.4 A 138 LEU CD1 C 13 25.0700 0.4 A 138 LEU CD2 C 13 22.1900 0.4 A 138 LEU CG C 13 25.6000 0.4 A 138 LEU N N 15 117.1590 0.4 A 139 LEU H H 1 7.5070 0.04 A 139 LEU HA H 1 4.1500 0.04 A 139 LEU HBx H 1 1.5900 0.04 A 139 LEU HBy H 1 1.6500 0.04 A 139 LEU HDx% H 1 0.7800 0.04 A 139 LEU HDy% H 1 0.7800 0.04 A 139 LEU HG H 1 1.6900 0.04 A 139 LEU C C 13 177.6000 0.4 A 139 LEU CA C 13 55.5290 0.4 A 139 LEU CB C 13 41.7440 0.4 A 139 LEU CD1 C 13 25.3000 0.4 A 139 LEU CD2 C 13 22.4800 0.4 A 139 LEU CG C 13 26.9000 0.4 A 139 LEU N N 15 115.1580 0.4 A 140 LYS H H 1 7.3040 0.04 A 140 LYS HA H 1 4.1100 0.04 A 140 LYS HBx H 1 1.4040 0.04 A 140 LYS HBy H 1 1.6990 0.04 A 140 LYS HDx H 1 1.3490 0.04 A 140 LYS HDy H 1 1.4770 0.04 A 140 LYS HEy H 1 2.7600 0.04 A 140 LYS HGx H 1 1.2100 0.04 A 140 LYS HGy H 1 1.4230 0.04 A 140 LYS C C 13 175.8000 0.4 A 140 LYS CA C 13 57.0520 0.4 A 140 LYS CB C 13 32.6460 0.4 A 140 LYS CD C 13 29.1200 0.4 A 140 LYS CE C 13 41.8000 0.4 A 140 LYS CG C 13 25.0400 0.4 A 140 LYS N N 15 120.2560 0.4 A 141 ALA H H 1 7.3470 0.04 A 141 ALA HA H 1 4.2700 0.04 A 141 ALA HB% H 1 1.5500 0.04 A 141 ALA CA C 13 54.2100 0.4 A 141 ALA CB C 13 20.2400 0.4 A 141 ALA N N 15 128.1440 0.4 B 212 GLY HAy H 1 4.0100 0.04 B 212 GLY CA C 13 44.6000 0.4 B 213 GLY HAy H 1 3.8200 0.04 B 213 GLY CA C 13 43.4000 0.4 B 214 LYS H H 1 8.4100 0.04 B 214 LYS HA H 1 4.3300 0.04 B 214 LYS HBy H 1 1.8600 0.04 B 214 LYS HDy H 1 1.6600 0.04 B 214 LYS HEy H 1 2.9900 0.04 B 214 LYS HGy H 1 1.4400 0.04 B 214 LYS CB C 13 32.8900 0.4 B 214 LYS CD C 13 28.8000 0.4 B 214 LYS CE C 13 41.8000 0.4 B 214 LYS CG C 13 24.3200 0.4 B 215 ALA H H 1 8.5100 0.04 B 215 ALA HA H 1 4.5900 0.04 B 215 ALA HB% H 1 1.3600 0.04 B 215 ALA CA C 13 50.3100 0.4 B 215 ALA CB C 13 17.7100 0.4 B 216 PRO HA H 1 4.4100 0.04 B 216 PRO HBx H 1 1.8800 0.04 B 216 PRO HBy H 1 2.2900 0.04 B 216 PRO HDx H 1 3.6500 0.04 B 216 PRO HDy H 1 3.8300 0.04 B 216 PRO HGy H 1 2.0160 0.04 B 216 PRO CA C 13 62.6100 0.4 B 216 PRO CB C 13 31.8600 0.4 B 216 PRO CD C 13 50.2700 0.4 B 216 PRO CG C 13 27.1300 0.4 B 217 ARG H H 1 8.5100 0.04 B 217 ARG HA H 1 4.2800 0.04 B 217 ARG HBy H 1 1.8100 0.04 B 217 ARG HDy H 1 3.2000 0.04 B 217 ARG HGy H 1 1.6400 0.04 B 217 ARG CB C 13 30.4800 0.4 B 217 ARG CD C 13 43.0600 0.4 B 218 ALY H H 1 8.4100 0.04 B 218 ALY HA H 1 4.2400 0.04 B 218 ALY HBy H 1 1.7550 0.04 B 218 ALY HDy H 1 1.5300 0.04 B 218 ALY HEy H 1 3.1400 0.04 B 218 ALY HGy H 1 1.3500 0.04 B 218 ALY HGx H 1 1.3100 0.04 B 218 ALY HZ1 H 1 8.0100 0.04 B 218 ALY CB C 13 32.9200 0.4 B 218 ALY CD C 13 30.2400 0.4 B 218 ALY CE C 13 41.5000 0.4 B 218 ALY CG C 13 24.8300 0.4 B 219 GLN H H 1 8.5200 0.04 B 219 GLN HA H 1 4.3100 0.04 B 219 GLN HBx H 1 1.9600 0.04 B 219 GLN HBy H 1 2.0600 0.04 B 219 GLN HGy H 1 2.3500 0.04 B 219 GLN CB C 13 29.2200 0.4 B 219 GLN CG C 13 33.4800 0.4 B 220 LEU H H 1 8.3800 0.04 B 220 LEU HA H 1 4.3300 0.04 B 220 LEU HBx H 1 1.5700 0.04 B 220 LEU HBy H 1 1.6200 0.04 B 220 LEU HDx% H 1 0.9200 0.04 B 220 LEU HDy% H 1 0.8600 0.04 B 220 LEU HG H 1 1.6200 0.04 B 220 LEU CB C 13 42.2600 0.4 B 220 LEU CD1 C 13 24.6400 0.4 B 220 LEU CD2 C 13 23.0900 0.4 B 220 LEU CG C 13 26.7700 0.4 B 221 ALA H H 1 8.4400 0.04 B 221 ALA HA H 1 4.3700 0.04 B 221 ALA HB% H 1 1.4000 0.04 B 221 ALA CA C 13 52.1500 0.4 B 221 ALA CB C 13 18.9500 0.4 B 222 THR H H 1 8.2100 0.04 B 222 THR HA H 1 4.2700 0.04 B 222 THR HB H 1 4.1700 0.04 B 222 THR HG2% H 1 1.2000 0.04 B 222 THR CA C 13 61.5000 0.4 B 222 THR CB C 13 69.6600 0.4 B 222 THR CG2 C 13 21.3700 0.4 B 223 LYS HEy H 1 2.9900 0.04 B 223 LYS HGy H 1 1.3900 0.04 B 223 LYS CE C 13 41.8000 0.4 B 224 ALA H H 1 8.1500 0.04 B 224 ALA HA H 1 4.1000 0.04 B 224 ALA HB% H 1 1.3200 0.04 B 224 ALA CA C 13 53.5600 0.4 B 224 ALA CB C 13 19.6900 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 129 ASN H A 8 CYS O 1.0 1.3 2.3 2 2 A 8 CYS O A 129 ASN N 1.0 2.3 3.3 3 3 A 127 PHE H A 10 VAL O 1.0 1.3 2.3 4 4 A 10 VAL O A 127 PHE N 1.0 2.3 3.3 5 5 A 10 VAL H A 127 PHE O 1.0 1.3 2.3 6 6 A 127 PHE O A 10 VAL N 1.0 2.3 3.3 7 7 A 125 LEU H A 12 VAL O 1.0 1.3 2.3 8 8 A 12 VAL O A 125 LEU N 1.0 2.3 3.3 9 9 A 12 VAL H A 125 LEU O 1.0 1.3 2.3 10 10 A 125 LEU O A 12 VAL N 1.0 2.3 3.3 11 11 A 123 GLU H A 14 LEU O 1.0 1.3 2.3 12 12 A 14 LEU O A 123 GLU N 1.0 2.3 3.3 13 13 A 14 LEU H A 123 GLU O 1.0 1.3 2.3 14 14 A 123 GLU O A 14 LEU N 1.0 2.3 3.3 15 15 A 121 ARG H A 16 LEU O 1.0 1.3 2.3 16 16 A 16 LEU O A 121 ARG N 1.0 2.3 3.3 17 17 A 16 LEU H A 121 ARG O 1.0 1.3 2.3 18 18 A 121 ARG O A 16 LEU N 1.0 2.3 3.3 19 19 A 119 HIS H A 18 HIS O 1.0 1.3 2.3 20 20 A 18 HIS O A 119 HIS N 1.0 2.3 3.3 21 21 A 18 HIS H A 119 HIS O 1.0 1.3 2.3 22 22 A 119 HIS O A 18 HIS N 1.0 2.3 3.3 23 23 A 117 VAL H A 20 ALA O 1.0 1.3 2.3 24 24 A 20 ALA O A 117 VAL N 1.0 2.3 3.3 25 25 A 20 ALA H A 117 VAL O 1.0 1.3 2.3 26 26 A 117 VAL O A 20 ALA N 1.0 2.3 3.3 27 27 A 114 HIS H A 111 LEU O 1.0 1.3 2.3 28 28 A 111 LEU O A 114 HIS N 1.0 2.3 3.3 29 29 A 15 GLU H A 40 ARG O 1.0 1.3 2.3 30 30 A 40 ARG O A 15 GLU N 1.0 2.3 3.3 31 31 A 40 ARG H A 15 GLU O 1.0 1.3 2.3 32 32 A 15 GLU O A 40 ARG N 1.0 2.3 3.3 33 33 A 17 GLY H A 38 PHE O 1.0 1.3 2.3 34 34 A 38 PHE O A 17 GLY N 1.0 2.3 3.3 35 35 A 38 PHE H A 17 GLY O 1.0 1.3 2.3 36 36 A 17 GLY O A 38 PHE N 1.0 2.3 3.3 37 37 A 19 ARG H A 36 MET O 1.0 1.3 2.3 38 38 A 36 MET O A 19 ARG N 1.0 2.3 3.3 39 39 A 36 MET H A 19 ARG O 1.0 1.3 2.3 40 40 A 19 ARG O A 36 MET N 1.0 2.3 3.3 41 41 A 21 GLN H A 34 ASP O 1.0 1.3 2.3 42 42 A 34 ASP O A 21 GLN N 1.0 2.3 3.3 43 43 A 34 ASP H A 21 GLN O 1.0 1.3 2.3 44 44 A 21 GLN O A 34 ASP N 1.0 2.3 3.3 45 45 A 23 ARG H A 32 THR O 1.0 1.3 2.3 46 46 A 32 THR O A 23 ARG N 1.0 2.3 3.3 47 47 A 27 THR H A 31 PHE O 1.0 1.3 2.3 48 48 A 31 PHE O A 27 THR N 1.0 2.3 3.3 49 49 A 33 HIS H A 80 GLY O 1.0 1.3 2.3 50 50 A 80 GLY O A 33 HIS N 1.0 2.3 3.3 51 51 A 80 GLY H A 33 HIS O 1.0 1.3 2.3 52 52 A 33 HIS O A 80 GLY N 1.0 2.3 3.3 53 53 A 35 TRP H A 78 GLU O 1.0 1.3 2.3 54 54 A 78 GLU O A 35 TRP N 1.0 2.3 3.3 55 55 A 78 GLU H A 35 TRP O 1.0 1.3 2.3 56 56 A 35 TRP O A 78 GLU N 1.0 2.3 3.3 57 57 A 37 VAL H A 76 VAL O 1.0 1.3 2.3 58 58 A 76 VAL O A 37 VAL N 1.0 2.3 3.3 59 59 A 76 VAL H A 37 VAL O 1.0 1.3 2.3 60 60 A 37 VAL O A 76 VAL N 1.0 2.3 3.3 61 61 A 39 VAL H A 74 TYR O 1.0 1.3 2.3 62 62 A 74 TYR O A 39 VAL N 1.0 2.3 3.3 63 63 A 54 VAL H A 69 CYS O 1.0 1.3 2.3 64 64 A 69 CYS O A 54 VAL N 1.0 2.3 3.3 65 65 A 69 CYS H A 54 VAL O 1.0 1.3 2.3 66 66 A 54 VAL O A 69 CYS N 1.0 2.3 3.3 67 67 A 56 PHE H A 67 ARG O 1.0 1.3 2.3 68 68 A 67 ARG O A 56 PHE N 1.0 2.3 3.3 69 69 A 67 ARG H A 56 PHE O 1.0 1.3 2.3 70 70 A 56 PHE O A 67 ARG N 1.0 2.3 3.3 71 71 A 58 LEU H A 65 PRO O 1.0 1.3 2.3 72 72 A 65 PRO O A 58 LEU N 1.0 2.3 3.3 73 73 A 57 HIS H A 87 PRO O 1.0 1.3 2.4 74 74 A 87 PRO O A 57 HIS N 1.0 2.3 3.3 75 75 A 55 VAL H A 89 GLU O 1.0 1.3 2.3 76 76 A 89 GLU O A 55 VAL N 1.0 2.3 3.3 77 77 A 89 GLU H A 55 VAL O 1.0 1.3 2.3 78 78 A 55 VAL O A 89 GLU N 1.0 2.3 3.3 79 79 A 91 TYR H A 53 LYS O 1.0 1.3 2.3 80 80 A 53 LYS O A 91 TYR N 1.0 2.3 3.3 81 81 A 52 GLU H A 91 TYR O 1.0 1.3 2.3 82 82 A 91 TYR O A 52 GLU N 1.0 2.3 3.3 83 83 A 93 LYS H A 50 PHE O 1.0 1.3 2.3 84 84 A 50 PHE O A 93 LYS N 1.0 2.3 3.3 85 85 A 51 VAL H A 47 ILE O 1.0 1.5 2.5 86 86 A 47 ILE O A 51 VAL N 1.0 2.3 3.3 87 87 A 92 PHE H A 99 ARG O 1.0 1.3 2.3 88 88 A 99 ARG O A 92 PHE N 1.0 2.3 3.3 89 89 A 90 VAL H A 101 VAL O 1.0 1.3 2.3 90 90 A 101 VAL O A 90 VAL N 1.0 2.3 3.3 91 91 A 101 VAL H A 90 VAL O 1.0 1.3 2.3 92 92 A 90 VAL O A 101 VAL N 1.0 2.3 3.3 93 93 A 88 ILE H A 103 PHE O 1.0 1.3 2.3 94 94 A 103 PHE O A 88 ILE N 1.0 2.3 3.3 95 95 A 103 PHE H A 88 ILE O 1.0 1.3 2.3 96 96 A 88 ILE O A 103 PHE N 1.0 2.3 3.3 97 97 A 86 LEU H A 105 TYR O 1.0 1.3 2.3 98 98 A 105 TYR O A 86 LEU N 1.0 2.3 3.3 99 99 A 105 TYR H A 86 LEU O 1.0 1.3 2.3 100 100 A 86 LEU O A 105 TYR N 1.0 2.3 3.3 101 101 A 84 PHE H A 107 LEU O 1.0 1.3 2.3 102 102 A 107 LEU O A 84 PHE N 1.0 2.3 3.3 103 103 A 107 LEU H A 84 PHE O 1.0 1.3 2.3 104 104 A 84 PHE O A 107 LEU N 1.0 2.3 3.3 105 105 A 135 ARG H A 131 THR O 1.0 1.3 2.3 106 106 A 131 THR O A 135 ARG N 1.0 2.3 3.3 107 107 A 136 ARG H A 132 GLU O 1.0 1.3 2.3 108 108 A 132 GLU O A 136 ARG N 1.0 2.3 3.3 109 109 A 137 LYS H A 133 ASP O 1.0 1.3 2.3 110 110 A 133 ASP O A 137 LYS N 1.0 2.3 3.3 111 111 A 138 LEU H A 134 PHE O 1.0 1.3 2.3 112 112 A 134 PHE O A 138 LEU N 1.0 2.3 3.3 113 113 A 139 LEU H A 135 ARG O 1.0 1.3 2.3 114 114 A 135 ARG O A 139 LEU N 1.0 2.3 3.3 115 115 A 140 LYS H A 136 ARG O 1.0 1.3 2.3 116 116 A 136 ARG O A 140 LYS N 1.0 2.3 3.3 117 117 A 141 ALA H A 137 LYS O 1.0 1.3 2.3 118 118 A 137 LYS O A 141 ALA N 1.0 2.3 3.3 119 119 A 62 PHE N A 59 HIS O 1.0 2.3 3.3 120 120 A 80 GLY O A 32 THR N 1.0 2.3 3.3 121 121 A 30 GLY N A 27 THR O 1.0 2.3 3.3 122 122 A 23 ARG NE A 25 LYS O 1.0 2.3 3.3 123 123 A 79 SER OG A 34 ASP OD2 1.0 2.3 3.3 124 124 A 34 ASP OD2 A 23 ARG NHx 1.0 2.3 3.3 125 125 A 8 CYS N A 129 ASN OD1 1.0 2.3 3.3 126 126 A 57 HIS NE2 A 89 GLU OE2 1.0 2.3 3.3 127 127 A 100 LYS NZ A 89 GLU OE1 1.0 2.3 3.3 128 128 A 100 LYS NZ A 91 TYR OH 1.0 2.3 3.3 129 129 A 67 ARG NHy A 78 GLU OE2 1.0 2.3 3.3 130 130 A 119 HIS ND1 A 105 TYR OH 1.0 2.3 3.3 131 131 A 45 SER OG A 42 PRO O 1.0 2.3 3.3 132 132 A 137 LYS NZ A 93 LYS O 1.0 2.3 3.3 133 133 A 93 LYS NZ A 48 GLN O 1.0 2.3 3.3 134 134 A 33 HIS NE2 A 110 HIS O 1.0 2.3 3.3 135 135 A 111 LEU O A 114 HIS N 1.0 2.3 3.3 136 136 A 18 HIS NE2 A 108 PHE O 1.0 2.3 3.3 137 137 A 105 TYR OH A 18 HIS ND1 1.0 2.3 3.3 138 138 A 119 HIS ND1 A 105 TYR OH 1.0 2.3 3.3 139 139 A 83 GLY H B 216 PRO O 1.0 1.5 2.6 140 140 B 216 PRO O A 83 GLY N 1.0 2.5 3.6 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 5 ALA C A 6 SER N A 6 SER CA A 6 SER C 1.0 -139.6 -31.8 PHI 2 2 A 6 SER N A 6 SER CA A 6 SER C A 7 SER N 1.0 77.8 198.2 PSI 3 3 A 6 SER C A 7 SER N A 7 SER CA A 7 SER C 1.0 -130.6 -36.8 PHI 4 4 A 7 SER N A 7 SER CA A 7 SER C A 8 CYS N 1.0 110.4 170.8 PSI 5 5 A 7 SER C A 8 CYS N A 8 CYS CA A 8 CYS C 1.0 -167.2 -23.4 PHI 6 6 A 8 CYS N A 8 CYS CA A 8 CYS C A 9 ALA N 1.0 101.9 187.9 PSI 7 7 A 8 CYS C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -112.1 -52.1 PHI 8 8 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 VAL N 1.0 109.0 169.0 PSI 9 9 A 9 ALA C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -160.2 -100.2 PHI 10 10 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 GLN N 1.0 103.5 163.5 PSI 11 11 A 10 VAL C A 11 GLN N A 11 GLN CA A 11 GLN C 1.0 -142.4 -82.4 PHI 12 12 A 11 GLN N A 11 GLN CA A 11 GLN C A 12 VAL N 1.0 106.6 166.6 PSI 13 13 A 11 GLN C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -166.6 -106.6 PHI 14 14 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 LYS N 1.0 120.1 180.1 PSI 15 15 A 12 VAL C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -164.6 -94.0 PHI 16 16 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 LEU N 1.0 115.8 175.8 PSI 17 17 A 13 LYS C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -162.9 -102.9 PHI 18 18 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 GLU N 1.0 112.0 172.0 PSI 19 19 A 14 LEU C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -157.5 -97.5 PHI 20 20 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 LEU N 1.0 103.1 163.1 PSI 21 21 A 15 GLU C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -155.7 -95.7 PHI 22 22 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 GLY N 1.0 109.9 169.9 PSI 23 23 A 16 LEU C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 -196.6 -136.6 PHI 24 24 A 17 GLY N A 17 GLY CA A 17 GLY C A 18 HIS N 1.0 148.9 208.9 PSI 25 25 A 17 GLY C A 18 HIS N A 18 HIS CA A 18 HIS C 1.0 -175.0 -115.0 PHI 26 26 A 18 HIS N A 18 HIS CA A 18 HIS C A 19 ARG N 1.0 123.1 183.1 PSI 27 27 A 18 HIS C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -164.3 -104.3 PHI 28 28 A 19 ARG N A 19 ARG CA A 19 ARG C A 20 ALA N 1.0 121.2 181.2 PSI 29 29 A 19 ARG C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -166.1 -106.1 PHI 30 30 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 GLN N 1.0 116.0 176.0 PSI 31 31 A 20 ALA C A 21 GLN N A 21 GLN CA A 21 GLN C 1.0 -163.5 -99.9 PHI 32 32 A 21 GLN N A 21 GLN CA A 21 GLN C A 22 VAL N 1.0 112.0 176.6 PSI 33 33 A 21 GLN C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -101.8 -41.8 PHI 34 34 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 ARG N 1.0 104.9 164.9 PSI 35 35 A 22 VAL C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -150.9 -33.1 PHI 36 36 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 LYS N 1.0 100.8 180.4 PSI 37 37 A 23 ARG C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -96.4 -36.4 PHI 38 38 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 LYS N 1.0 -63.1 -3.1 PSI 39 39 A 24 LYS C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -167.5 -97.9 PHI 40 40 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 PRO N 1.0 59.1 197.3 PSI 41 41 A 25 LYS C A 26 PRO N A 26 PRO CA A 26 PRO C 1.0 -96.8 -36.8 PHI 42 42 A 26 PRO N A 26 PRO CA A 26 PRO C A 27 THR N 1.0 114.2 174.2 PSI 43 43 A 26 PRO C A 27 THR N A 27 THR CA A 27 THR C 1.0 -135.3 -40.3 PHI 44 44 A 27 THR N A 27 THR CA A 27 THR C A 28 VAL N 1.0 109.1 199.9 PSI 45 45 A 27 THR C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -91.8 -31.8 PHI 46 46 A 28 VAL N A 28 VAL CA A 28 VAL C A 29 GLU N 1.0 -54.8 5.2 PSI 47 47 A 28 VAL C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -112.0 -52.0 PHI 48 48 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 GLY N 1.0 -37.7 22.3 PSI 49 49 A 29 GLU C A 30 GLY N A 30 GLY CA A 30 GLY C 1.0 64.2 124.2 PHI 50 50 A 30 GLY N A 30 GLY CA A 30 GLY C A 31 PHE N 1.0 -27.0 33.0 PSI 51 51 A 30 GLY C A 31 PHE N A 31 PHE CA A 31 PHE C 1.0 -113.9 -53.9 PHI 52 52 A 31 PHE N A 31 PHE CA A 31 PHE C A 32 THR N 1.0 56.0 177.8 PSI 53 53 A 31 PHE C A 32 THR N A 32 THR CA A 32 THR C 1.0 -149.0 -65.0 PHI 54 54 A 32 THR N A 32 THR CA A 32 THR C A 33 HIS N 1.0 -74.0 38.0 PSI 55 55 A 32 THR C A 33 HIS N A 33 HIS CA A 33 HIS C 1.0 -167.7 -107.7 PHI 56 56 A 33 HIS N A 33 HIS CA A 33 HIS C A 34 ASP N 1.0 120.5 180.5 PSI 57 57 A 33 HIS C A 34 ASP N A 34 ASP CA A 34 ASP C 1.0 -155.1 -84.1 PHI 58 58 A 34 ASP N A 34 ASP CA A 34 ASP C A 35 TRP N 1.0 110.9 170.9 PSI 59 59 A 34 ASP C A 35 TRP N A 35 TRP CA A 35 TRP C 1.0 -162.9 -102.9 PHI 60 60 A 35 TRP N A 35 TRP CA A 35 TRP C A 36 MET N 1.0 120.2 180.2 PSI 61 61 A 35 TRP C A 36 MET N A 36 MET CA A 36 MET C 1.0 -153.8 -93.8 PHI 62 62 A 36 MET N A 36 MET CA A 36 MET C A 37 VAL N 1.0 99.5 159.5 PSI 63 63 A 36 MET C A 37 VAL N A 37 VAL CA A 37 VAL C 1.0 -155.5 -95.5 PHI 64 64 A 37 VAL N A 37 VAL CA A 37 VAL C A 38 PHE N 1.0 111.5 171.5 PSI 65 65 A 37 VAL C A 38 PHE N A 38 PHE CA A 38 PHE C 1.0 -163.2 -103.2 PHI 66 66 A 38 PHE N A 38 PHE CA A 38 PHE C A 39 VAL N 1.0 118.6 178.6 PSI 67 67 A 38 PHE C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -159.2 -99.2 PHI 68 68 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 ARG N 1.0 102.8 172.8 PSI 69 69 A 39 VAL C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -173.9 -103.9 PHI 70 70 A 40 ARG N A 40 ARG CA A 40 ARG C A 41 GLY N 1.0 122.9 182.9 PSI 71 71 A 41 GLY C A 42 PRO N A 42 PRO CA A 42 PRO C 1.0 -89.8 -29.8 PHI 72 72 A 42 PRO N A 42 PRO CA A 42 PRO C A 43 GLU N 1.0 113.2 173.2 PSI 73 73 A 43 GLU C A 44 HIS N A 44 HIS CA A 44 HIS C 1.0 33.0 93.0 PHI 74 74 A 44 HIS N A 44 HIS CA A 44 HIS C A 45 SER N 1.0 -22.0 82.0 PSI 75 75 A 44 HIS C A 45 SER N A 45 SER CA A 45 SER C 1.0 -97.3 -37.3 PHI 76 76 A 45 SER N A 45 SER CA A 45 SER C A 46 ASN N 1.0 113.7 173.7 PSI 77 77 A 45 SER C A 46 ASN N A 46 ASN CA A 46 ASN C 1.0 -105.4 -45.4 PHI 78 78 A 46 ASN N A 46 ASN CA A 46 ASN C A 47 ILE N 1.0 129.3 189.3 PSI 79 79 A 46 ASN C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -94.8 -34.8 PHI 80 80 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 GLN N 1.0 -62.5 -2.5 PSI 81 81 A 47 ILE C A 48 GLN N A 48 GLN CA A 48 GLN C 1.0 -97.0 -37.0 PHI 82 82 A 48 GLN N A 48 GLN CA A 48 GLN C A 49 HIS N 1.0 -53.1 6.9 PSI 83 83 A 48 GLN C A 49 HIS N A 49 HIS CA A 49 HIS C 1.0 -102.7 -42.7 PHI 84 84 A 49 HIS N A 49 HIS CA A 49 HIS C A 50 PHE N 1.0 -51.7 8.3 PSI 85 85 A 49 HIS C A 50 PHE N A 50 PHE CA A 50 PHE C 1.0 -144.0 -84.0 PHI 86 86 A 50 PHE N A 50 PHE CA A 50 PHE C A 51 VAL N 1.0 -39.9 20.1 PSI 87 87 A 50 PHE C A 51 VAL N A 51 VAL CA A 51 VAL C 1.0 -126.4 -66.4 PHI 88 88 A 51 VAL N A 51 VAL CA A 51 VAL C A 52 GLU N 1.0 93.1 153.1 PSI 89 89 A 51 VAL C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -113.0 -53.0 PHI 90 90 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 LYS N 1.0 -70.9 -10.9 PSI 91 91 A 52 GLU C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -192.7 -132.7 PHI 92 92 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 VAL N 1.0 129.8 189.8 PSI 93 93 A 53 LYS C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -154.3 -94.3 PHI 94 94 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 VAL N 1.0 100.5 160.5 PSI 95 95 A 54 VAL C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -143.2 -83.2 PHI 96 96 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 PHE N 1.0 94.8 154.8 PSI 97 97 A 55 VAL C A 56 PHE N A 56 PHE CA A 56 PHE C 1.0 -140.2 -80.2 PHI 98 98 A 56 PHE N A 56 PHE CA A 56 PHE C A 57 HIS N 1.0 91.5 151.5 PSI 99 99 A 56 PHE C A 57 HIS N A 57 HIS CA A 57 HIS C 1.0 -120.5 -60.5 PHI 100 100 A 57 HIS N A 57 HIS CA A 57 HIS C A 58 LEU N 1.0 82.0 163.0 PSI 101 101 A 57 HIS C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -112.6 -52.6 PHI 102 102 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 HIS N 1.0 77.1 181.7 PSI 103 103 A 58 LEU C A 59 HIS N A 59 HIS CA A 59 HIS C 1.0 -87.7 -27.7 PHI 104 104 A 59 HIS N A 59 HIS CA A 59 HIS C A 60 GLU N 1.0 102.2 162.2 PSI 105 105 A 59 HIS C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -93.5 -33.5 PHI 106 106 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 SER N 1.0 -62.9 -2.9 PSI 107 107 A 60 GLU C A 61 SER N A 61 SER CA A 61 SER C 1.0 -100.0 -40.0 PHI 108 108 A 61 SER N A 61 SER CA A 61 SER C A 62 PHE N 1.0 -60.0 0.0 PSI 109 109 A 61 SER C A 62 PHE N A 62 PHE CA A 62 PHE C 1.0 -100.7 -40.7 PHI 110 110 A 62 PHE N A 62 PHE CA A 62 PHE C A 63 PRO N 1.0 108.5 168.5 PSI 111 111 A 62 PHE C A 63 PRO N A 63 PRO CA A 63 PRO C 1.0 -95.7 -35.7 PHI 112 112 A 63 PRO N A 63 PRO CA A 63 PRO C A 64 ARG N 1.0 118.4 178.4 PSI 113 113 A 64 ARG C A 65 PRO N A 65 PRO CA A 65 PRO C 1.0 -92.1 -32.1 PHI 114 114 A 65 PRO N A 65 PRO CA A 65 PRO C A 66 LYS N 1.0 -59.5 0.5 PSI 115 115 A 65 PRO C A 66 LYS N A 66 LYS CA A 66 LYS C 1.0 -110.1 -50.1 PHI 116 116 A 66 LYS N A 66 LYS CA A 66 LYS C A 67 ARG N 1.0 27.7 202.3 PSI 117 117 A 66 LYS C A 67 ARG N A 67 ARG CA A 67 ARG C 1.0 -132.9 -72.9 PHI 118 118 A 67 ARG N A 67 ARG CA A 67 ARG C A 68 VAL N 1.0 87.5 147.9 PSI 119 119 A 67 ARG C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -128.0 -66.8 PHI 120 120 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 CYS N 1.0 97.3 157.3 PSI 121 121 A 68 VAL C A 69 CYS N A 69 CYS CA A 69 CYS C 1.0 -144.3 -46.7 PHI 122 122 A 69 CYS N A 69 CYS CA A 69 CYS C A 70 LYS N 1.0 103.6 169.0 PSI 123 123 A 69 CYS C A 70 LYS N A 70 LYS CA A 70 LYS C 1.0 -106.5 -46.5 PHI 124 124 A 70 LYS N A 70 LYS CA A 70 LYS C A 71 ASP N 1.0 -55.5 8.7 PSI 125 125 A 70 LYS C A 71 ASP N A 71 ASP CA A 71 ASP C 1.0 -176.1 -65.7 PHI 126 126 A 71 ASP N A 71 ASP CA A 71 ASP C A 72 PRO N 1.0 108.4 188.4 PSI 127 127 A 71 ASP C A 72 PRO N A 72 PRO CA A 72 PRO C 1.0 -104.9 -24.9 PHI 128 128 A 72 PRO N A 72 PRO CA A 72 PRO C A 73 PRO N 1.0 101.6 191.6 PSI 129 129 A 72 PRO C A 73 PRO N A 73 PRO CA A 73 PRO C 1.0 -113.6 -23.6 PHI 130 130 A 73 PRO N A 73 PRO CA A 73 PRO C A 74 TYR N 1.0 113.1 183.1 PSI 131 131 A 73 PRO C A 74 TYR N A 74 TYR CA A 74 TYR C 1.0 -123.0 -63.0 PHI 132 132 A 74 TYR N A 74 TYR CA A 74 TYR C A 75 LYS N 1.0 84.6 160.4 PSI 133 133 A 74 TYR C A 75 LYS N A 75 LYS CA A 75 LYS C 1.0 -157.7 -97.7 PHI 134 134 A 75 LYS N A 75 LYS CA A 75 LYS C A 76 VAL N 1.0 109.2 169.2 PSI 135 135 A 75 LYS C A 76 VAL N A 76 VAL CA A 76 VAL C 1.0 -163.4 -103.4 PHI 136 136 A 76 VAL N A 76 VAL CA A 76 VAL C A 77 GLU N 1.0 106.3 166.3 PSI 137 137 A 76 VAL C A 77 GLU N A 77 GLU CA A 77 GLU C 1.0 -146.4 -86.4 PHI 138 138 A 77 GLU N A 77 GLU CA A 77 GLU C A 78 GLU N 1.0 97.8 157.8 PSI 139 139 A 77 GLU C A 78 GLU N A 78 GLU CA A 78 GLU C 1.0 -166.1 -106.1 PHI 140 140 A 78 GLU N A 78 GLU CA A 78 GLU C A 79 SER N 1.0 123.4 183.4 PSI 141 141 A 78 GLU C A 79 SER N A 79 SER CA A 79 SER C 1.0 -167.4 -107.4 PHI 142 142 A 79 SER N A 79 SER CA A 79 SER C A 80 GLY N 1.0 120.6 180.6 PSI 143 143 A 79 SER C A 80 GLY N A 80 GLY CA A 80 GLY C 1.0 -201.0 -141.0 PHI 144 144 A 80 GLY N A 80 GLY CA A 80 GLY C A 81 TYR N 1.0 148.4 208.4 PSI 145 145 A 81 TYR C A 82 ALA N A 82 ALA CA A 82 ALA C 1.0 -181.9 -94.3 PHI 146 146 A 82 ALA N A 82 ALA CA A 82 ALA C A 83 GLY N 1.0 113.2 183.2 PSI 147 147 A 82 ALA C A 83 GLY N A 83 GLY CA A 83 GLY C 1.0 -203.7 -55.5 PHI 148 148 A 83 GLY N A 83 GLY CA A 83 GLY C A 84 PHE N 1.0 116.9 224.1 PSI 149 149 A 83 GLY C A 84 PHE N A 84 PHE CA A 84 PHE C 1.0 -186.2 -126.2 PHI 150 150 A 84 PHE N A 84 PHE CA A 84 PHE C A 85 ILE N 1.0 128.9 188.9 PSI 151 151 A 84 PHE C A 85 ILE N A 85 ILE CA A 85 ILE C 1.0 -141.8 -55.8 PHI 152 152 A 85 ILE N A 85 ILE CA A 85 ILE C A 86 LEU N 1.0 103.3 163.3 PSI 153 153 A 85 ILE C A 86 LEU N A 86 LEU CA A 86 LEU C 1.0 -168.5 -77.5 PHI 154 154 A 86 LEU N A 86 LEU CA A 86 LEU C A 87 PRO N 1.0 107.1 175.9 PSI 155 155 A 86 LEU C A 87 PRO N A 87 PRO CA A 87 PRO C 1.0 -97.9 -37.9 PHI 156 156 A 87 PRO N A 87 PRO CA A 87 PRO C A 88 ILE N 1.0 97.5 164.3 PSI 157 157 A 87 PRO C A 88 ILE N A 88 ILE CA A 88 ILE C 1.0 -151.5 -91.5 PHI 158 158 A 88 ILE N A 88 ILE CA A 88 ILE C A 89 GLU N 1.0 105.3 165.3 PSI 159 159 A 88 ILE C A 89 GLU N A 89 GLU CA A 89 GLU C 1.0 -162.2 -102.2 PHI 160 160 A 89 GLU N A 89 GLU CA A 89 GLU C A 90 VAL N 1.0 104.9 164.9 PSI 161 161 A 89 GLU C A 90 VAL N A 90 VAL CA A 90 VAL C 1.0 -135.4 -75.4 PHI 162 162 A 90 VAL N A 90 VAL CA A 90 VAL C A 91 TYR N 1.0 98.3 158.3 PSI 163 163 A 90 VAL C A 91 TYR N A 91 TYR CA A 91 TYR C 1.0 -142.8 -72.8 PHI 164 164 A 91 TYR N A 91 TYR CA A 91 TYR C A 92 PHE N 1.0 100.5 160.5 PSI 165 165 A 91 TYR C A 92 PHE N A 92 PHE CA A 92 PHE C 1.0 -153.8 -93.8 PHI 166 166 A 92 PHE N A 92 PHE CA A 92 PHE C A 93 LYS N 1.0 104.5 164.5 PSI 167 167 A 92 PHE C A 93 LYS N A 93 LYS CA A 93 LYS C 1.0 -125.0 -63.6 PHI 168 168 A 93 LYS N A 93 LYS CA A 93 LYS C A 94 ASN N 1.0 94.8 164.8 PSI 169 169 A 93 LYS C A 94 ASN N A 94 ASN CA A 94 ASN C 1.0 -153.5 -52.5 PHI 170 170 A 94 ASN N A 94 ASN CA A 94 ASN C A 95 LYS N 1.0 105.2 184.6 PSI 171 171 A 94 ASN C A 95 LYS N A 95 LYS CA A 95 LYS C 1.0 -111.8 -50.2 PHI 172 172 A 95 LYS N A 95 LYS CA A 95 LYS C A 96 GLU N 1.0 -49.2 10.8 PSI 173 173 A 95 LYS C A 96 GLU N A 96 GLU CA A 96 GLU C 1.0 -174.0 -102.2 PHI 174 174 A 96 GLU N A 96 GLU CA A 96 GLU C A 97 GLU N 1.0 112.7 202.7 PSI 175 175 A 96 GLU C A 97 GLU N A 97 GLU CA A 97 GLU C 1.0 -106.6 -26.6 PHI 176 176 A 97 GLU N A 97 GLU CA A 97 GLU C A 98 PRO N 1.0 108.4 168.4 PSI 177 177 A 97 GLU C A 98 PRO N A 98 PRO CA A 98 PRO C 1.0 -102.5 -32.5 PHI 178 178 A 98 PRO N A 98 PRO CA A 98 PRO C A 99 ARG N 1.0 115.0 175.0 PSI 179 179 A 98 PRO C A 99 ARG N A 99 ARG CA A 99 ARG C 1.0 -135.3 -71.3 PHI 180 180 A 99 ARG N A 99 ARG CA A 99 ARG C A 100 LYS N 1.0 -53.3 18.9 PSI 181 181 A 99 ARG C A 100 LYS N A 100 LYS CA A 100 LYS C 1.0 -178.8 -117.4 PHI 182 182 A 100 LYS N A 100 LYS CA A 100 LYS C A 101 VAL N 1.0 123.2 183.2 PSI 183 183 A 100 LYS C A 101 VAL N A 101 VAL CA A 101 VAL C 1.0 -169.0 -109.0 PHI 184 184 A 101 VAL N A 101 VAL CA A 101 VAL C A 102 ARG N 1.0 112.1 172.1 PSI 185 185 A 101 VAL C A 102 ARG N A 102 ARG CA A 102 ARG C 1.0 -140.2 -80.2 PHI 186 186 A 102 ARG N A 102 ARG CA A 102 ARG C A 103 PHE N 1.0 98.6 158.6 PSI 187 187 A 102 ARG C A 103 PHE N A 103 PHE CA A 103 PHE C 1.0 -153.0 -93.0 PHI 188 188 A 103 PHE N A 103 PHE CA A 103 PHE C A 104 ASP N 1.0 98.7 158.7 PSI 189 189 A 103 PHE C A 104 ASP N A 104 ASP CA A 104 ASP C 1.0 -119.2 -59.2 PHI 190 190 A 104 ASP N A 104 ASP CA A 104 ASP C A 105 TYR N 1.0 86.0 146.0 PSI 191 191 A 104 ASP C A 105 TYR N A 105 TYR CA A 105 TYR C 1.0 -152.2 -65.2 PHI 192 192 A 105 TYR N A 105 TYR CA A 105 TYR C A 106 ASP N 1.0 97.9 157.9 PSI 193 193 A 105 TYR C A 106 ASP N A 106 ASP CA A 106 ASP C 1.0 -122.9 -62.9 PHI 194 194 A 106 ASP N A 106 ASP CA A 106 ASP C A 107 LEU N 1.0 81.7 141.7 PSI 195 195 A 106 ASP C A 107 LEU N A 107 LEU CA A 107 LEU C 1.0 -126.4 -64.4 PHI 196 196 A 107 LEU N A 107 LEU CA A 107 LEU C A 108 PHE N 1.0 91.8 151.8 PSI 197 197 A 107 LEU C A 108 PHE N A 108 PHE CA A 108 PHE C 1.0 -144.3 -84.3 PHI 198 198 A 108 PHE N A 108 PHE CA A 108 PHE C A 109 LEU N 1.0 100.5 160.5 PSI 199 199 A 108 PHE C A 109 LEU N A 109 LEU CA A 109 LEU C 1.0 -137.1 -76.5 PHI 200 200 A 109 LEU N A 109 LEU CA A 109 LEU C A 110 HIS N 1.0 102.1 162.1 PSI 201 201 A 109 LEU C A 110 HIS N A 110 HIS CA A 110 HIS C 1.0 -99.6 -39.6 PHI 202 202 A 110 HIS N A 110 HIS CA A 110 HIS C A 111 LEU N 1.0 113.6 173.6 PSI 203 203 A 110 HIS C A 111 LEU N A 111 LEU CA A 111 LEU C 1.0 -107.1 -47.1 PHI 204 204 A 111 LEU N A 111 LEU CA A 111 LEU C A 112 GLU N 1.0 114.2 174.2 PSI 205 205 A 111 LEU C A 112 GLU N A 112 GLU CA A 112 GLU C 1.0 -86.0 -26.0 PHI 206 206 A 112 GLU N A 112 GLU CA A 112 GLU C A 113 GLY N 1.0 101.8 161.8 PSI 207 207 A 112 GLU C A 113 GLY N A 113 GLY CA A 113 GLY C 1.0 60.7 120.7 PHI 208 208 A 113 GLY N A 113 GLY CA A 113 GLY C A 114 HIS N 1.0 -49.1 30.9 PSI 209 209 A 113 GLY C A 114 HIS N A 114 HIS CA A 114 HIS C 1.0 -141.8 -40.2 PHI 210 210 A 114 HIS N A 114 HIS CA A 114 HIS C A 115 PRO N 1.0 78.1 196.7 PSI 211 211 A 114 HIS C A 115 PRO N A 115 PRO CA A 115 PRO C 1.0 -112.9 -22.9 PHI 212 212 A 115 PRO N A 115 PRO CA A 115 PRO C A 116 PRO N 1.0 113.6 183.6 PSI 213 213 A 115 PRO C A 116 PRO N A 116 PRO CA A 116 PRO C 1.0 -96.6 -26.6 PHI 214 214 A 116 PRO N A 116 PRO CA A 116 PRO C A 117 VAL N 1.0 100.1 180.1 PSI 215 215 A 116 PRO C A 117 VAL N A 117 VAL CA A 117 VAL C 1.0 -126.7 -39.7 PHI 216 216 A 117 VAL N A 117 VAL CA A 117 VAL C A 118 ASN N 1.0 102.9 162.9 PSI 217 217 A 117 VAL C A 118 ASN N A 118 ASN CA A 118 ASN C 1.0 -144.0 -33.4 PHI 218 218 A 118 ASN N A 118 ASN CA A 118 ASN C A 119 HIS N 1.0 98.2 168.6 PSI 219 219 A 118 ASN C A 119 HIS N A 119 HIS CA A 119 HIS C 1.0 -164.9 -103.7 PHI 220 220 A 119 HIS N A 119 HIS CA A 119 HIS C A 120 LEU N 1.0 104.5 164.5 PSI 221 221 A 119 HIS C A 120 LEU N A 120 LEU CA A 120 LEU C 1.0 -157.7 -97.7 PHI 222 222 A 120 LEU N A 120 LEU CA A 120 LEU C A 121 ARG N 1.0 99.4 159.4 PSI 223 223 A 120 LEU C A 121 ARG N A 121 ARG CA A 121 ARG C 1.0 -159.1 -99.1 PHI 224 224 A 121 ARG N A 121 ARG CA A 121 ARG C A 122 CYS N 1.0 102.5 162.5 PSI 225 225 A 121 ARG C A 122 CYS N A 122 CYS CA A 122 CYS C 1.0 -138.0 -64.2 PHI 226 226 A 122 CYS N A 122 CYS CA A 122 CYS C A 123 GLU N 1.0 101.9 161.9 PSI 227 227 A 122 CYS C A 123 GLU N A 123 GLU CA A 123 GLU C 1.0 -158.5 -98.5 PHI 228 228 A 123 GLU N A 123 GLU CA A 123 GLU C A 124 LYS N 1.0 115.8 175.8 PSI 229 229 A 123 GLU C A 124 LYS N A 124 LYS CA A 124 LYS C 1.0 -129.2 -69.2 PHI 230 230 A 124 LYS N A 124 LYS CA A 124 LYS C A 125 LEU N 1.0 96.3 156.3 PSI 231 231 A 124 LYS C A 125 LEU N A 125 LEU CA A 125 LEU C 1.0 -146.9 -86.9 PHI 232 232 A 125 LEU N A 125 LEU CA A 125 LEU C A 126 THR N 1.0 100.1 160.1 PSI 233 233 A 125 LEU C A 126 THR N A 126 THR CA A 126 THR C 1.0 -140.2 -80.2 PHI 234 234 A 126 THR N A 126 THR CA A 126 THR C A 127 PHE N 1.0 91.5 151.5 PSI 235 235 A 126 THR C A 127 PHE N A 127 PHE CA A 127 PHE C 1.0 -120.2 -60.2 PHI 236 236 A 127 PHE N A 127 PHE CA A 127 PHE C A 128 ASN N 1.0 92.6 152.6 PSI 237 237 A 127 PHE C A 128 ASN N A 128 ASN CA A 128 ASN C 1.0 -103.4 -43.4 PHI 238 238 A 128 ASN N A 128 ASN CA A 128 ASN C A 129 ASN N 1.0 118.8 178.8 PSI 239 239 A 129 ASN C A 130 PRO N A 130 PRO CA A 130 PRO C 1.0 -97.5 -37.5 PHI 240 240 A 130 PRO N A 130 PRO CA A 130 PRO C A 131 THR N 1.0 120.8 180.8 PSI 241 241 A 130 PRO C A 131 THR N A 131 THR CA A 131 THR C 1.0 -97.5 -37.5 PHI 242 242 A 131 THR N A 131 THR CA A 131 THR C A 132 GLU N 1.0 124.9 184.9 PSI 243 243 A 131 THR C A 132 GLU N A 132 GLU CA A 132 GLU C 1.0 -90.8 -30.8 PHI 244 244 A 132 GLU N A 132 GLU CA A 132 GLU C A 133 ASP N 1.0 -66.4 -6.4 PSI 245 245 A 132 GLU C A 133 ASP N A 133 ASP CA A 133 ASP C 1.0 -95.7 -35.7 PHI 246 246 A 133 ASP N A 133 ASP CA A 133 ASP C A 134 PHE N 1.0 -70.0 -10.0 PSI 247 247 A 133 ASP C A 134 PHE N A 134 PHE CA A 134 PHE C 1.0 -96.7 -36.7 PHI 248 248 A 134 PHE N A 134 PHE CA A 134 PHE C A 135 ARG N 1.0 -71.9 -11.9 PSI 249 249 A 134 PHE C A 135 ARG N A 135 ARG CA A 135 ARG C 1.0 -92.4 -32.4 PHI 250 250 A 135 ARG N A 135 ARG CA A 135 ARG C A 136 ARG N 1.0 -72.6 -12.6 PSI 251 251 A 135 ARG C A 136 ARG N A 136 ARG CA A 136 ARG C 1.0 -93.7 -33.7 PHI 252 252 A 136 ARG N A 136 ARG CA A 136 ARG C A 137 LYS N 1.0 -71.4 -11.4 PSI 253 253 A 136 ARG C A 137 LYS N A 137 LYS CA A 137 LYS C 1.0 -94.6 -34.6 PHI 254 254 A 137 LYS N A 137 LYS CA A 137 LYS C A 138 LEU N 1.0 -72.0 -12.0 PSI 255 255 A 137 LYS C A 138 LEU N A 138 LEU CA A 138 LEU C 1.0 -94.0 -34.0 PHI 256 256 A 138 LEU N A 138 LEU CA A 138 LEU C A 139 LEU N 1.0 -70.1 -10.1 PSI 257 257 A 138 LEU C A 139 LEU N A 139 LEU CA A 139 LEU C 1.0 -107.3 -47.3 PHI 258 258 A 139 LEU N A 139 LEU CA A 139 LEU C A 140 LYS N 1.0 -44.1 15.9 PSI 259 259 A 139 LEU C A 140 LYS N A 140 LYS CA A 140 LYS C 1.0 -133.2 -49.6 PHI 260 260 A 140 LYS N A 140 LYS CA A 140 LYS C A 141 ALA N 1.0 -42.5 17.5 PSI stop_ save_