data_nef_c15055_2jmp 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 1L8Q stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -6 MET start . . 2 A -5 GLY middle . false 3 A -4 GLY middle . false 4 A -3 GLY middle . false 5 A -2 GLY middle . false 6 A -1 GLY middle . false 7 A 0 GLY middle . false 8 A 1 MET middle . . 9 A 2 GLU middle . . 10 A 3 GLN middle . . 11 A 4 PHE middle . . 12 A 5 ASN middle . . 13 A 6 ALA middle . . 14 A 7 PHE middle . . 15 A 8 LYS middle . . 16 A 9 SER middle . . 17 A 10 LEU middle . . 18 A 11 LEU middle . . 19 A 12 LYS middle . . 20 A 13 LYS middle . . 21 A 14 HIS middle . . 22 A 15 TYR middle . . 23 A 16 GLU middle . . 24 A 17 LYS middle . . 25 A 18 THR middle . . 26 A 19 ILE middle . . 27 A 20 GLY middle . false 28 A 21 PHE middle . . 29 A 22 HIS middle . . 30 A 23 ASP middle . . 31 A 24 LYS middle . . 32 A 25 TYR middle . . 33 A 26 ILE middle . . 34 A 27 LYS middle . . 35 A 28 ASP middle . . 36 A 29 ILE middle . . 37 A 30 ASN middle . . 38 A 31 ARG middle . . 39 A 32 PHE middle . . 40 A 33 VAL middle . . 41 A 34 PHE middle . . 42 A 35 LYS middle . . 43 A 36 ASN middle . . 44 A 37 ASN middle . . 45 A 38 VAL middle . . 46 A 39 LEU middle . . 47 A 40 LEU middle . . 48 A 41 ILE middle . . 49 A 42 LEU middle . . 50 A 43 LEU middle . . 51 A 44 GLU middle . . 52 A 45 ASN middle . . 53 A 46 GLU middle . . 54 A 47 PHE middle . . 55 A 48 ALA middle . . 56 A 49 ARG middle . . 57 A 50 ASN middle . . 58 A 51 SER middle . . 59 A 52 LEU middle . . 60 A 53 ASN middle . . 61 A 54 ASP middle . . 62 A 55 ASN middle . . 63 A 56 SER middle . . 64 A 57 GLU middle . . 65 A 58 ILE middle . . 66 A 59 ILE middle . . 67 A 60 HIS middle . . 68 A 61 LEU middle . . 69 A 62 ALA middle . . 70 A 63 GLU middle . . 71 A 64 SER middle . . 72 A 65 LEU middle . . 73 A 66 TYR middle . . 74 A 67 GLU middle . . 75 A 68 GLY middle . false 76 A 69 ILE middle . . 77 A 70 LYS middle . . 78 A 71 SER middle . . 79 A 72 VAL middle . . 80 A 73 ASN middle . . 81 A 74 PHE middle . . 82 A 75 VAL middle . . 83 A 76 ASN middle . . 84 A 77 GLU middle . . 85 A 78 GLN middle . . 86 A 79 ASP middle . . 87 A 80 PHE middle . . 88 A 81 PHE middle . . 89 A 82 PHE middle . . 90 A 83 ASN middle . . 91 A 84 LEU middle . . 92 A 85 ALA middle . . 93 A 86 LYS middle . . 94 A 87 LEU middle . . 95 A 88 GLU middle . . 96 A 89 GLU middle . . 97 A 90 ASN middle . . 98 A 91 SER middle . . 99 A 92 ARG middle . . 100 A 93 ASP middle . . 101 A 94 THR middle . . 102 A 95 LEU middle . . 103 A 96 TYR middle . . 104 A 97 GLN middle . . 105 A 98 ASN middle . . 106 A 99 SER middle . . 107 A 100 GLY end . false 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 2 GLU H H 1 8.44 0.02 A 2 GLU HA H 1 4.08 0.02 A 2 GLU HBx H 1 1.98 0.02 A 2 GLU HBy H 1 2.05 0.02 A 2 GLU HGx H 1 2.26 0.02 A 2 GLU HGy H 1 2.30 0.02 A 2 GLU C C 13 179.8 0.2 A 2 GLU CA C 13 60.2 0.2 A 2 GLU CB C 13 29.0 0.2 A 2 GLU CG C 13 36.9 0.2 A 2 GLU N N 15 121.1 0.2 A 3 GLN H H 1 8.01 0.02 A 3 GLN HA H 1 4.05 0.02 A 3 GLN HBx H 1 1.86 0.02 A 3 GLN HGy H 1 1.94 0.02 A 3 GLN HGx H 1 1.76 0.02 A 3 GLN C C 13 179.6 0.2 A 3 GLN CA C 13 59.0 0.2 A 3 GLN CB C 13 29.4 0.2 A 3 GLN CG C 13 33.4 0.2 A 3 GLN N N 15 121.0 0.2 A 4 PHE H H 1 7.70 0.02 A 4 PHE HA H 1 4.29 0.02 A 4 PHE HBy H 1 2.73 0.02 A 4 PHE HBx H 1 2.53 0.02 A 4 PHE HDx H 1 6.90 0.02 A 4 PHE C C 13 178.6 0.2 A 4 PHE CA C 13 61.9 0.2 A 4 PHE CB C 13 39.3 0.2 A 4 PHE CDx C 13 131.6 0.2 A 4 PHE N N 15 120.5 0.2 A 5 ASN H H 1 8.72 0.02 A 5 ASN HA H 1 4.30 0.02 A 5 ASN HBy H 1 2.92 0.02 A 5 ASN HBx H 1 2.73 0.02 A 5 ASN C C 13 179.2 0.2 A 5 ASN CA C 13 56.0 0.2 A 5 ASN CB C 13 37.4 0.2 A 5 ASN N N 15 118.6 0.2 A 6 ALA H H 1 8.05 0.02 A 6 ALA HA H 1 4.15 0.02 A 6 ALA HB% H 1 1.53 0.02 A 6 ALA C C 13 180.7 0.2 A 6 ALA CA C 13 55.2 0.2 A 6 ALA CB C 13 17.3 0.2 A 6 ALA N N 15 125.3 0.2 A 7 PHE H H 1 8.09 0.02 A 7 PHE HA H 1 4.14 0.02 A 7 PHE HBy H 1 3.24 0.02 A 7 PHE HBx H 1 3.18 0.02 A 7 PHE HDx H 1 6.83 0.02 A 7 PHE C C 13 177.5 0.2 A 7 PHE CA C 13 60.4 0.2 A 7 PHE CB C 13 38.3 0.2 A 7 PHE CDx C 13 131.1 0.2 A 7 PHE N N 15 123.5 0.2 A 8 LYS H H 1 8.45 0.02 A 8 LYS HA H 1 3.30 0.02 A 8 LYS HBy H 1 1.83 0.02 A 8 LYS HBx H 1 1.68 0.02 A 8 LYS HDx H 1 1.72 0.02 A 8 LYS HEx H 1 3.05 0.02 A 8 LYS HGy H 1 1.13 0.02 A 8 LYS HGx H 1 0.75 0.02 A 8 LYS C C 13 179.5 0.2 A 8 LYS CA C 13 61.6 0.2 A 8 LYS CB C 13 31.7 0.2 A 8 LYS CD C 13 30.4 0.2 A 8 LYS CE C 13 42.2 0.2 A 8 LYS CG C 13 26.7 0.2 A 8 LYS N N 15 119.3 0.2 A 9 SER H H 1 7.96 0.02 A 9 SER HA H 1 4.13 0.02 A 9 SER HBy H 1 3.97 0.02 A 9 SER HBx H 1 3.92 0.02 A 9 SER CA C 13 62.2 0.2 A 9 SER CB C 13 64.1 0.2 A 9 SER N N 15 115.6 0.2 A 10 LEU H H 1 7.79 0.02 A 10 LEU HA H 1 4.13 0.02 A 10 LEU HBy H 1 2.07 0.02 A 10 LEU HBx H 1 1.40 0.02 A 10 LEU HD1% H 1 0.91 0.02 A 10 LEU HD2% H 1 0.84 0.02 A 10 LEU HG H 1 1.90 0.02 A 10 LEU C C 13 181.0 0.2 A 10 LEU CA C 13 57.9 0.2 A 10 LEU CB C 13 41.8 0.2 A 10 LEU CD1 C 13 26.8 0.2 A 10 LEU CD2 C 13 22.6 0.2 A 10 LEU CG C 13 26.9 0.2 A 10 LEU N N 15 123.5 0.2 A 11 LEU H H 1 7.98 0.02 A 11 LEU HA H 1 3.89 0.02 A 11 LEU HBx H 1 1.35 0.02 A 11 LEU HBy H 1 2.05 0.02 A 11 LEU HDx% H 1 0.41 0.02 A 11 LEU HDy% H 1 0.63 0.02 A 11 LEU HG H 1 1.06 0.02 A 11 LEU C C 13 178.4 0.2 A 11 LEU CA C 13 57.5 0.2 A 11 LEU CB C 13 41.5 0.2 A 11 LEU CDy C 13 25.2 0.2 A 11 LEU CDx C 13 23.5 0.2 A 11 LEU CG C 13 26.3 0.2 A 11 LEU N N 15 120.0 0.2 A 12 LYS H H 1 8.11 0.02 A 12 LYS HA H 1 3.51 0.02 A 12 LYS HBy H 1 1.82 0.02 A 12 LYS HBx H 1 0.97 0.02 A 12 LYS HDx H 1 1.10 0.02 A 12 LYS HDy H 1 1.30 0.02 A 12 LYS HEx H 1 2.69 0.02 A 12 LYS HGy H 1 0.95 0.02 A 12 LYS HGx H 1 0.47 0.02 A 12 LYS C C 13 179.3 0.2 A 12 LYS CA C 13 60.0 0.2 A 12 LYS CB C 13 32.1 0.2 A 12 LYS CD C 13 29.7 0.2 A 12 LYS CE C 13 41.8 0.2 A 12 LYS CG C 13 24.8 0.2 A 12 LYS N N 15 121.4 0.2 A 13 LYS H H 1 7.28 0.02 A 13 LYS HA H 1 4.04 0.02 A 13 LYS HBy H 1 1.93 0.02 A 13 LYS HBx H 1 1.83 0.02 A 13 LYS HDx H 1 1.62 0.02 A 13 LYS HEx H 1 2.9 0.02 A 13 LYS HGx H 1 1.40 0.02 A 13 LYS C C 13 180.2 0.2 A 13 LYS CA C 13 58.6 0.2 A 13 LYS CB C 13 31.7 0.2 A 13 LYS CD C 13 28.8 0.2 A 13 LYS CE C 13 42.3 0.2 A 13 LYS CG C 13 24.6 0.2 A 13 LYS N N 15 117.9 0.2 A 14 HIS H H 1 8.13 0.02 A 14 HIS HA H 1 3.94 0.02 A 14 HIS HBx H 1 3.00 0.02 A 14 HIS C C 13 177.3 0.2 A 14 HIS CA C 13 60.1 0.2 A 14 HIS CB C 13 29.9 0.2 A 14 HIS N N 15 119.2 0.2 A 15 TYR H H 1 7.94 0.02 A 15 TYR HA H 1 4.26 0.02 A 15 TYR HBy H 1 3.71 0.02 A 15 TYR HBx H 1 2.71 0.02 A 15 TYR HDx H 1 6.98 0.02 A 15 TYR HEx H 1 6.38 0.02 A 15 TYR C C 13 176.3 0.2 A 15 TYR CA C 13 60.7 0.2 A 15 TYR CB C 13 38.0 0.2 A 15 TYR CDx C 13 132.9 0.2 A 15 TYR CEx C 13 118.1 0.2 A 15 TYR N N 15 113.3 0.2 A 16 GLU H H 1 7.10 0.02 A 16 GLU HA H 1 4.19 0.02 A 16 GLU HBy H 1 2.22 0.02 A 16 GLU HBx H 1 2.05 0.02 A 16 GLU C C 13 178.1 0.2 A 16 GLU CA C 13 60.0 0.2 A 16 GLU CB C 13 29.9 0.2 A 16 GLU N N 15 120.7 0.2 A 17 LYS H H 1 8.24 0.02 A 17 LYS HA H 1 4.25 0.02 A 17 LYS HBy H 1 1.91 0.02 A 17 LYS HBx H 1 1.68 0.02 A 17 LYS HDy H 1 1.63 0.02 A 17 LYS HDx H 1 1.58 0.02 A 17 LYS HEx H 1 2.88 0.02 A 17 LYS HGy H 1 1.42 0.02 A 17 LYS HGx H 1 1.36 0.02 A 17 LYS CA C 13 56.9 0.2 A 17 LYS CB C 13 31.8 0.2 A 17 LYS CD C 13 29.0 0.2 A 17 LYS CE C 13 42.3 0.2 A 17 LYS CG C 13 25.4 0.2 A 17 LYS N N 15 115.0 0.2 A 18 THR H H 1 8.33 0.02 A 18 THR HA H 1 4.43 0.02 A 18 THR HB H 1 4.47 0.02 A 18 THR HG2% H 1 1.29 0.02 A 18 THR C C 13 174.8 0.2 A 18 THR CA C 13 61.1 0.2 A 18 THR CB C 13 68.6 0.2 A 18 THR CG2 C 13 21.8 0.2 A 18 THR N N 15 119.9 0.2 A 19 ILE H H 1 8.13 0.02 A 19 ILE HA H 1 3.78 0.02 A 19 ILE HB H 1 1.85 0.02 A 19 ILE HD1% H 1 0.92 0.02 A 19 ILE HG1x H 1 1.32 0.02 A 19 ILE HG1y H 1 1.55 0.02 A 19 ILE HG2% H 1 0.90 0.02 A 19 ILE C C 13 178.7 0.2 A 19 ILE CA C 13 63.1 0.2 A 19 ILE CB C 13 36.9 0.2 A 19 ILE CD1 C 13 11.6 0.2 A 19 ILE CG1 C 13 28.1 0.2 A 19 ILE CG2 C 13 17.2 0.2 A 19 ILE N N 15 126.3 0.2 A 20 GLY H H 1 8.92 0.02 A 20 GLY HAy H 1 4.15 0.02 A 20 GLY HAx H 1 3.79 0.02 A 20 GLY C C 13 174.5 0.2 A 20 GLY CA C 13 46.3 0.2 A 20 GLY N N 15 116.1 0.2 A 21 PHE H H 1 7.66 0.02 A 21 PHE HA H 1 4.00 0.02 A 21 PHE HBy H 1 3.12 0.02 A 21 PHE HBx H 1 3.04 0.02 A 21 PHE HDx H 1 6.87 0.02 A 21 PHE HEx H 1 6.53 0.02 A 21 PHE HZ H 1 6.63 0.02 A 21 PHE C C 13 177.2 0.2 A 21 PHE CA C 13 62.4 0.2 A 21 PHE CB C 13 40.9 0.2 A 21 PHE CDx C 13 131.1 0.2 A 21 PHE CEx C 13 130.6 0.2 A 21 PHE N N 15 122.8 0.2 A 22 HIS H H 1 9.42 0.02 A 22 HIS HA H 1 3.88 0.02 A 22 HIS HBy H 1 3.22 0.02 A 22 HIS HBx H 1 3.12 0.02 A 22 HIS C C 13 178.5 0.2 A 22 HIS CA C 13 60.7 0.2 A 22 HIS CB C 13 30.8 0.2 A 22 HIS N N 15 118.9 0.2 A 23 ASP H H 1 8.99 0.02 A 23 ASP HA H 1 4.08 0.02 A 23 ASP HBx H 1 2.47 0.02 A 23 ASP C C 13 177.7 0.2 A 23 ASP CA C 13 57.6 0.2 A 23 ASP CB C 13 40.4 0.2 A 23 ASP N N 15 120.3 0.2 A 24 LYS H H 1 7.70 0.02 A 24 LYS HA H 1 3.65 0.02 A 24 LYS HBy H 1 0.94 0.02 A 24 LYS HBx H 1 0.54 0.02 A 24 LYS HDx H 1 1.23 0.02 A 24 LYS HEx H 1 2.72 0.02 A 24 LYS HGx H 1 0.60 0.02 A 24 LYS HGy H 1 1.00 0.02 A 24 LYS C C 13 178.4 0.2 A 24 LYS CA C 13 58.9 0.2 A 24 LYS CB C 13 32.6 0.2 A 24 LYS CD C 13 29.6 0.2 A 24 LYS CE C 13 42.4 0.2 A 24 LYS CG C 13 25.4 0.2 A 24 LYS N N 15 116.8 0.2 A 25 TYR H H 1 7.33 0.02 A 25 TYR HA H 1 4.72 0.02 A 25 TYR HBy H 1 2.51 0.02 A 25 TYR HBx H 1 1.81 0.02 A 25 TYR HDx H 1 6.23 0.02 A 25 TYR HEx H 1 6.68 0.02 A 25 TYR C C 13 175.6 0.2 A 25 TYR CA C 13 57.9 0.2 A 25 TYR CB C 13 41.2 0.2 A 25 TYR CDx C 13 133.7 0.2 A 25 TYR CEx C 13 117.5 0.2 A 25 TYR N N 15 112.5 0.2 A 26 ILE H H 1 7.62 0.02 A 26 ILE HA H 1 4.06 0.02 A 26 ILE HB H 1 1.48 0.02 A 26 ILE HD1% H 1 0.68 0.02 A 26 ILE HG1y H 1 1.36 0.02 A 26 ILE HG1x H 1 0.81 0.02 A 26 ILE HG2% H 1 0.68 0.02 A 26 ILE C C 13 177.0 0.2 A 26 ILE CA C 13 61.1 0.2 A 26 ILE CB C 13 37.8 0.2 A 26 ILE CD1 C 13 12.9 0.2 A 26 ILE CG1 C 13 27.5 0.2 A 26 ILE CG2 C 13 18.7 0.2 A 26 ILE N N 15 115.7 0.2 A 27 LYS H H 1 7.50 0.02 A 27 LYS HA H 1 3.49 0.02 A 27 LYS HBx H 1 1.51 0.02 A 27 LYS HDx H 1 1.65 0.02 A 27 LYS HEx H 1 2.97 0.02 A 27 LYS HGx H 1 1.32 0.02 A 27 LYS C C 13 177.9 0.2 A 27 LYS CA C 13 60.4 0.2 A 27 LYS CB C 13 32.8 0.2 A 27 LYS CD C 13 29.6 0.2 A 27 LYS CE C 13 41.7 0.2 A 27 LYS CG C 13 23.5 0.2 A 27 LYS N N 15 119.8 0.2 A 28 ASP H H 1 8.39 0.02 A 28 ASP HA H 1 4.72 0.02 A 28 ASP HBy H 1 2.79 0.02 A 28 ASP HBx H 1 2.39 0.02 A 28 ASP C C 13 177.0 0.2 A 28 ASP CA C 13 54.5 0.2 A 28 ASP CB C 13 40.8 0.2 A 28 ASP N N 15 116.1 0.2 A 29 ILE H H 1 7.67 0.02 A 29 ILE HA H 1 3.95 0.02 A 29 ILE HB H 1 1.90 0.02 A 29 ILE HD1% H 1 1.11 0.02 A 29 ILE HG1y H 1 1.95 0.02 A 29 ILE HG1x H 1 1.35 0.02 A 29 ILE HG2% H 1 1.20 0.02 A 29 ILE C C 13 177.3 0.2 A 29 ILE CA C 13 64.6 0.2 A 29 ILE CB C 13 38.7 0.2 A 29 ILE CD1 C 13 15.4 0.2 A 29 ILE CG1 C 13 27.9 0.2 A 29 ILE CG2 C 13 18.8 0.2 A 29 ILE N N 15 120.5 0.2 A 30 ASN H H 1 8.95 0.02 A 30 ASN HA H 1 5.08 0.02 A 30 ASN HBy H 1 2.92 0.02 A 30 ASN HBx H 1 2.75 0.02 A 30 ASN C C 13 174.0 0.2 A 30 ASN CA C 13 53.3 0.2 A 30 ASN CB C 13 40.6 0.2 A 30 ASN N N 15 124.2 0.2 A 31 ARG H H 1 8.16 0.02 A 31 ARG HA H 1 4.55 0.02 A 31 ARG HBy H 1 1.51 0.02 A 31 ARG HBx H 1 1.33 0.02 A 31 ARG HDx H 1 2.93 0.02 A 31 ARG HGx H 1 1.32 0.02 A 31 ARG C C 13 172.7 0.2 A 31 ARG CA C 13 55.6 0.2 A 31 ARG CB C 13 31.3 0.2 A 31 ARG CD C 13 43.2 0.2 A 31 ARG CG C 13 26.6 0.2 A 31 ARG N N 15 121.8 0.2 A 32 PHE H H 1 7.37 0.02 A 32 PHE HA H 1 5.54 0.02 A 32 PHE HBy H 1 2.46 0.02 A 32 PHE HBx H 1 2.34 0.02 A 32 PHE HDx H 1 6.08 0.02 A 32 PHE C C 13 180.2 0.2 A 32 PHE CA C 13 55.2 0.2 A 32 PHE CB C 13 42.1 0.2 A 32 PHE CDx C 13 131.6 0.2 A 32 PHE N N 15 119.2 0.2 A 33 VAL H H 1 9.14 0.02 A 33 VAL HA H 1 4.09 0.02 A 33 VAL HB H 1 1.77 0.02 A 33 VAL HGx% H 1 0.69 0.02 A 33 VAL CA C 13 61.6 0.2 A 33 VAL CB C 13 35.7 0.2 A 33 VAL CGx C 13 21.5 0.2 A 33 VAL N N 15 117.8 0.2 A 34 PHE H H 1 8.74 0.02 A 34 PHE HA H 1 5.78 0.02 A 34 PHE HBy H 1 3.20 0.02 A 34 PHE HBx H 1 2.72 0.02 A 34 PHE HDx H 1 7.05 0.02 A 34 PHE C C 13 174.3 0.2 A 34 PHE CA C 13 55.0 0.2 A 34 PHE CB C 13 40.4 0.2 A 34 PHE CDx C 13 132.5 0.2 A 34 PHE N N 15 127.4 0.2 A 35 LYS H H 1 8.34 0.02 A 35 LYS HA H 1 4.19 0.02 A 35 LYS HBx H 1 1.45 0.02 A 35 LYS HDx H 1 1.43 0.02 A 35 LYS HEx H 1 2.80 0.02 A 35 LYS HGx H 1 1.18 0.02 A 35 LYS C C 13 175.2 0.2 A 35 LYS CA C 13 55.1 0.2 A 35 LYS CB C 13 36.1 0.2 A 35 LYS CD C 13 29.4 0.2 A 35 LYS CE C 13 41.9 0.2 A 35 LYS CG C 13 24.9 0.2 A 35 LYS N N 15 127.0 0.2 A 36 ASN H H 1 9.08 0.02 A 36 ASN HA H 1 4.12 0.02 A 36 ASN HBy H 1 2.89 0.02 A 36 ASN HBx H 1 2.54 0.02 A 36 ASN CA C 13 54.2 0.2 A 36 ASN CB C 13 37.2 0.2 A 36 ASN N N 15 123.9 0.2 A 37 ASN H H 1 8.21 0.02 A 37 ASN HA H 1 3.77 0.02 A 37 ASN HBy H 1 3.15 0.02 A 37 ASN HBx H 1 3.00 0.02 A 37 ASN C C 13 172.9 0.2 A 37 ASN CA C 13 55.2 0.2 A 37 ASN CB C 13 37.2 0.2 A 37 ASN N N 15 105.8 0.2 A 38 VAL H H 1 7.62 0.02 A 38 VAL HA H 1 4.48 0.02 A 38 VAL HB H 1 2.03 0.02 A 38 VAL HG1% H 1 0.67 0.02 A 38 VAL HG2% H 1 0.78 0.02 A 38 VAL C C 13 174.0 0.2 A 38 VAL CA C 13 61.5 0.2 A 38 VAL CB C 13 34.2 0.2 A 38 VAL CG1 C 13 20.3 0.2 A 38 VAL CG2 C 13 21.0 0.2 A 38 VAL N N 15 121.8 0.2 A 39 LEU H H 1 8.15 0.02 A 39 LEU HA H 1 5.08 0.02 A 39 LEU HBy H 1 1.64 0.02 A 39 LEU HBx H 1 0.68 0.02 A 39 LEU HD1% H 1 0.43 0.02 A 39 LEU HD2% H 1 -0.19 0.02 A 39 LEU HG H 1 1.04 0.02 A 39 LEU C C 13 173.0 0.2 A 39 LEU CA C 13 53.3 0.2 A 39 LEU CB C 13 44.8 0.2 A 39 LEU CD1 C 13 22.4 0.2 A 39 LEU CD2 C 13 25.6 0.2 A 39 LEU CG C 13 26.6 0.2 A 39 LEU N N 15 128.1 0.2 A 40 LEU H H 1 8.97 0.02 A 40 LEU HA H 1 4.97 0.02 A 40 LEU HBx H 1 1.35 0.02 A 40 LEU HBy H 1 1.51 0.02 A 40 LEU HD1% H 1 0.67 0.02 A 40 LEU HD2% H 1 0.52 0.02 A 40 LEU HG H 1 1.45 0.02 A 40 LEU C C 13 176.3 0.2 A 40 LEU CA C 13 53.3 0.2 A 40 LEU CB C 13 44.9 0.2 A 40 LEU CD1 C 13 25.5 0.2 A 40 LEU CD2 C 13 25.5 0.2 A 40 LEU CG C 13 26.8 0.2 A 40 LEU N N 15 130.3 0.2 A 41 ILE H H 1 8.52 0.02 A 41 ILE HA H 1 4.39 0.02 A 41 ILE HB H 1 1.08 0.02 A 41 ILE HD1% H 1 0.39 0.02 A 41 ILE HG1y H 1 1.19 0.02 A 41 ILE HG1x H 1 0.72 0.02 A 41 ILE HG2% H 1 1.12 0.02 A 41 ILE C C 13 174.0 0.2 A 41 ILE CA C 13 60.9 0.2 A 41 ILE CB C 13 41.5 0.2 A 41 ILE CD1 C 13 15.5 0.2 A 41 ILE CG1 C 13 28.6 0.2 A 41 ILE CG2 C 13 20.3 0.2 A 41 ILE N N 15 123.9 0.2 A 42 LEU H H 1 7.78 0.02 A 42 LEU HA H 1 4.56 0.02 A 42 LEU HBy H 1 1.53 0.02 A 42 LEU HBx H 1 0.08 0.02 A 42 LEU HD1% H 1 0.44 0.02 A 42 LEU HD2% H 1 0.63 0.02 A 42 LEU HG H 1 1.97 0.02 A 42 LEU C C 13 175.3 0.2 A 42 LEU CA C 13 55.6 0.2 A 42 LEU CB C 13 42.1 0.2 A 42 LEU CD1 C 13 24.7 0.2 A 42 LEU CD2 C 13 24.7 0.2 A 42 LEU CG C 13 28.6 0.2 A 42 LEU N N 15 130.7 0.2 A 43 LEU H H 1 9.11 0.02 A 43 LEU HA H 1 4.54 0.02 A 43 LEU HBx H 1 1.55 0.02 A 43 LEU HBy H 1 1.77 0.02 A 43 LEU HD1% H 1 0.84 0.02 A 43 LEU HD2% H 1 0.65 0.02 A 43 LEU HG H 1 1.46 0.02 A 43 LEU C C 13 174.8 0.2 A 43 LEU CA C 13 54.6 0.2 A 43 LEU CB C 13 45.3 0.2 A 43 LEU CD1 C 13 24.6 0.2 A 43 LEU CD2 C 13 27.3 0.2 A 43 LEU CG C 13 28.3 0.2 A 43 LEU N N 15 131.0 0.2 A 44 GLU H H 1 9.10 0.02 A 44 GLU HA H 1 3.88 0.02 A 44 GLU HBx H 1 2.03 0.02 A 44 GLU HGx H 1 2.27 0.02 A 44 GLU C C 13 177.4 0.2 A 44 GLU CA C 13 59.7 0.2 A 44 GLU CB C 13 30.1 0.2 A 44 GLU CG C 13 36.2 0.2 A 44 GLU N N 15 127.8 0.2 A 45 ASN H H 1 7.60 0.02 A 45 ASN HA H 1 4.40 0.02 A 45 ASN HBy H 1 2.85 0.02 A 45 ASN HBx H 1 2.18 0.02 A 45 ASN C C 13 175.0 0.2 A 45 ASN CA C 13 55.8 0.2 A 45 ASN CB C 13 40.5 0.2 A 45 ASN N N 15 118.3 0.2 A 46 GLU H H 1 8.80 0.02 A 46 GLU HA H 1 3.56 0.02 A 46 GLU HBx H 1 1.93 0.02 A 46 GLU HBy H 1 2.10 0.02 A 46 GLU HGx H 1 2.15 0.02 A 46 GLU C C 13 176.5 0.2 A 46 GLU CA C 13 60.5 0.2 A 46 GLU CB C 13 30.5 0.2 A 46 GLU CG C 13 36.1 0.2 A 46 GLU N N 15 129.6 0.2 A 47 PHE H H 1 7.87 0.02 A 47 PHE HA H 1 4.06 0.02 A 47 PHE HBy H 1 3.21 0.02 A 47 PHE HBx H 1 3.09 0.02 A 47 PHE HDx H 1 6.99 0.02 A 47 PHE C C 13 178.9 0.2 A 47 PHE CA C 13 60.8 0.2 A 47 PHE CB C 13 38.2 0.2 A 47 PHE N N 15 120.4 0.2 A 48 ALA H H 1 8.68 0.02 A 48 ALA HA H 1 3.15 0.02 A 48 ALA HB% H 1 0.41 0.02 A 48 ALA C C 13 178.4 0.2 A 48 ALA CA C 13 54.8 0.2 A 48 ALA CB C 13 18.1 0.2 A 48 ALA N N 15 123.5 0.2 A 49 ARG H H 1 8.10 0.02 A 49 ARG HA H 1 3.46 0.02 A 49 ARG HBx H 1 1.78 0.02 A 49 ARG HDx H 1 3.29 0.02 A 49 ARG HGx H 1 1.55 0.02 A 49 ARG C C 13 177.4 0.2 A 49 ARG CA C 13 60.9 0.2 A 49 ARG CB C 13 30.6 0.2 A 49 ARG CD C 13 43.7 0.2 A 49 ARG CG C 13 28.6 0.2 A 49 ARG N N 15 117.5 0.2 A 50 ASN H H 1 8.32 0.02 A 50 ASN HA H 1 4.35 0.02 A 50 ASN HBx H 1 2.76 0.02 A 50 ASN C C 13 177.6 0.2 A 50 ASN CA C 13 55.6 0.2 A 50 ASN CB C 13 37.4 0.2 A 50 ASN N N 15 116.4 0.2 A 51 SER H H 1 7.43 0.02 A 51 SER HA H 1 4.02 0.02 A 51 SER HBy H 1 3.63 0.02 A 51 SER HBx H 1 3.52 0.02 A 51 SER CA C 13 61.9 0.2 A 51 SER CB C 13 63.1 0.2 A 51 SER N N 15 114.0 0.2 A 52 LEU H H 1 7.97 0.02 A 52 LEU HA H 1 3.90 0.02 A 52 LEU HBx H 1 0.46 0.02 A 52 LEU HBy H 1 0.86 0.02 A 52 LEU HD1% H 1 -0.15 0.02 A 52 LEU HD2% H 1 0.68 0.02 A 52 LEU HG H 1 1.28 0.02 A 52 LEU C C 13 179.5 0.2 A 52 LEU CA C 13 58.1 0.2 A 52 LEU CB C 13 41.9 0.2 A 52 LEU CD1 C 13 25.3 0.2 A 52 LEU CD2 C 13 24.0 0.2 A 52 LEU CG C 13 27.4 0.2 A 52 LEU N N 15 122.1 0.2 A 53 ASN H H 1 8.42 0.02 A 53 ASN HA H 1 4.80 0.02 A 53 ASN HBx H 1 2.85 0.02 A 53 ASN CA C 13 54.9 0.2 A 53 ASN CB C 13 38.1 0.2 A 53 ASN N N 15 116.1 0.2 A 54 ASP H H 1 7.61 0.02 A 54 ASP HA H 1 4.70 0.02 A 54 ASP HBx H 1 2.70 0.02 A 54 ASP HBy H 1 2.75 0.02 A 54 ASP C C 13 175.3 0.2 A 54 ASP CA C 13 54.6 0.2 A 54 ASP CB C 13 41.3 0.2 A 54 ASP N N 15 117.6 0.2 A 55 ASN H H 1 7.31 0.02 A 55 ASN HA H 1 4.79 0.02 A 55 ASN HBx H 1 2.68 0.02 A 55 ASN HBy H 1 3.38 0.02 A 55 ASN C C 13 176.7 0.2 A 55 ASN CA C 13 52.4 0.2 A 55 ASN CB C 13 38.3 0.2 A 55 ASN N N 15 118.3 0.2 A 56 SER H H 1 8.81 0.02 A 56 SER HA H 1 4.21 0.02 A 56 SER HBx H 1 4.02 0.02 A 56 SER CA C 13 60.8 0.2 A 56 SER CB C 13 63.5 0.2 A 56 SER N N 15 122.8 0.2 A 57 GLU H H 1 8.13 0.02 A 57 GLU HA H 1 4.33 0.02 A 57 GLU HBx H 1 1.89 0.02 A 57 GLU HGx H 1 2.25 0.02 A 57 GLU HGy H 1 2.32 0.02 A 57 GLU C C 13 179.0 0.2 A 57 GLU CA C 13 56.9 0.2 A 57 GLU CB C 13 30.2 0.2 A 57 GLU CG C 13 36.1 0.2 A 57 GLU N N 15 118.2 0.2 A 58 ILE H H 1 7.29 0.02 A 58 ILE HA H 1 3.44 0.02 A 58 ILE HB H 1 2.41 0.02 A 58 ILE HD1% H 1 0.82 0.02 A 58 ILE HG1y H 1 1.68 0.02 A 58 ILE HG1x H 1 1.39 0.02 A 58 ILE HG2% H 1 1.19 0.02 A 58 ILE C C 13 179.0 0.2 A 58 ILE CA C 13 65.1 0.2 A 58 ILE CB C 13 35.1 0.2 A 58 ILE CD1 C 13 11.6 0.2 A 58 ILE CG1 C 13 28.3 0.2 A 58 ILE CG2 C 13 18.4 0.2 A 58 ILE N N 15 118.8 0.2 A 59 ILE H H 1 8.51 0.02 A 59 ILE HA H 1 3.95 0.02 A 59 ILE HB H 1 1.87 0.02 A 59 ILE HD1% H 1 0.72 0.02 A 59 ILE HG1x H 1 1.12 0.02 A 59 ILE HG1y H 1 1.28 0.02 A 59 ILE HG2% H 1 0.55 0.02 A 59 ILE C C 13 175.8 0.2 A 59 ILE CA C 13 62.0 0.2 A 59 ILE CB C 13 37.0 0.2 A 59 ILE CD1 C 13 14.7 0.2 A 59 ILE CG1 C 13 29.1 0.2 A 59 ILE CG2 C 13 17.3 0.2 A 59 ILE N N 15 119.1 0.2 A 60 HIS H H 1 6.75 0.02 A 60 HIS HA H 1 4.88 0.02 A 60 HIS HBx H 1 3.33 0.02 A 60 HIS C C 13 178.4 0.2 A 60 HIS CA C 13 57.0 0.2 A 60 HIS CB C 13 27.4 0.2 A 60 HIS N N 15 119.4 0.2 A 61 LEU H H 1 7.74 0.02 A 61 LEU HA H 1 4.20 0.02 A 61 LEU HBy H 1 2.23 0.02 A 61 LEU HBx H 1 1.43 0.02 A 61 LEU HD1% H 1 0.46 0.02 A 61 LEU HD2% H 1 0.83 0.02 A 61 LEU HG H 1 1.89 0.02 A 61 LEU C C 13 179.7 0.2 A 61 LEU CA C 13 57.6 0.2 A 61 LEU CB C 13 41.3 0.2 A 61 LEU CD1 C 13 24.9 0.2 A 61 LEU CD2 C 13 22.6 0.2 A 61 LEU CG C 13 27.0 0.2 A 61 LEU N N 15 119.9 0.2 A 62 ALA H H 1 8.37 0.02 A 62 ALA HA H 1 3.87 0.02 A 62 ALA HB% H 1 1.20 0.02 A 62 ALA C C 13 179.9 0.2 A 62 ALA CA C 13 55.4 0.2 A 62 ALA CB C 13 18.5 0.2 A 62 ALA N N 15 121.0 0.2 A 63 GLU H H 1 8.56 0.02 A 63 GLU HA H 1 4.05 0.02 A 63 GLU HBx H 1 1.96 0.02 A 63 GLU HGx H 1 2.33 0.02 A 63 GLU HGy H 1 2.43 0.02 A 63 GLU C C 13 177.2 0.2 A 63 GLU CA C 13 58.5 0.2 A 63 GLU CB C 13 29.8 0.2 A 63 GLU CG C 13 36.9 0.2 A 63 GLU N N 15 118.9 0.2 A 64 SER H H 1 7.22 0.02 A 64 SER HA H 1 4.26 0.02 A 64 SER HBx H 1 3.97 0.02 A 64 SER C C 13 174.1 0.2 A 64 SER CA C 13 60.7 0.2 A 64 SER CB C 13 63.8 0.2 A 64 SER N N 15 111.8 0.2 A 65 LEU H H 1 7.21 0.02 A 65 LEU HA H 1 4.38 0.02 A 65 LEU HBy H 1 1.48 0.02 A 65 LEU HBx H 1 0.95 0.02 A 65 LEU HD1% H 1 0.75 0.02 A 65 LEU HD2% H 1 0.85 0.02 A 65 LEU HG H 1 1.56 0.02 A 65 LEU C C 13 176.3 0.2 A 65 LEU CA C 13 55.2 0.2 A 65 LEU CB C 13 46.9 0.2 A 65 LEU CD1 C 13 23.3 0.2 A 65 LEU CD2 C 13 26.9 0.2 A 65 LEU CG C 13 27.0 0.2 A 65 LEU N N 15 120.6 0.2 A 66 TYR H H 1 8.07 0.02 A 66 TYR HA H 1 4.06 0.02 A 66 TYR HBy H 1 2.31 0.02 A 66 TYR HBx H 1 2.04 0.02 A 66 TYR HDx H 1 6.18 0.02 A 66 TYR HEx H 1 6.05 0.02 A 66 TYR CA C 13 56.6 0.2 A 66 TYR CB C 13 38.6 0.2 A 66 TYR CDx C 13 133.0 0.2 A 66 TYR CEx C 13 117.2 0.2 A 66 TYR N N 15 120.6 0.2 A 67 GLU H H 1 8.29 0.02 A 67 GLU HA H 1 4.05 0.02 A 67 GLU HBx H 1 1.94 0.02 A 67 GLU HGx H 1 2.23 0.02 A 67 GLU C C 13 178.5 0.2 A 67 GLU CA C 13 58.0 0.2 A 67 GLU CB C 13 29.4 0.2 A 67 GLU CG C 13 36.2 0.2 A 67 GLU N N 15 124.7 0.2 A 68 GLY H H 1 8.96 0.02 A 68 GLY HAx H 1 3.70 0.02 A 68 GLY HAy H 1 4.09 0.02 A 68 GLY C C 13 174.6 0.2 A 68 GLY CA C 13 45.5 0.2 A 68 GLY N N 15 114.0 0.2 A 69 ILE H H 1 7.36 0.02 A 69 ILE HA H 1 3.90 0.02 A 69 ILE HB H 1 1.75 0.02 A 69 ILE HD1% H 1 0.42 0.02 A 69 ILE HG1y H 1 1.56 0.02 A 69 ILE HG1x H 1 0.85 0.02 A 69 ILE HG2% H 1 0.85 0.02 A 69 ILE C C 13 176.7 0.2 A 69 ILE CA C 13 62.4 0.2 A 69 ILE CB C 13 38.4 0.2 A 69 ILE CD1 C 13 16.0 0.2 A 69 ILE CG1 C 13 30.1 0.2 A 69 ILE CG2 C 13 16.6 0.2 A 69 ILE N N 15 118.3 0.2 A 70 LYS H H 1 9.48 0.02 A 70 LYS HA H 1 4.47 0.02 A 70 LYS HBy H 1 1.75 0.02 A 70 LYS HBx H 1 1.65 0.02 A 70 LYS HDx H 1 1.63 0.02 A 70 LYS HEx H 1 2.92 0.02 A 70 LYS HGy H 1 1.48 0.02 A 70 LYS HGx H 1 1.42 0.02 A 70 LYS C C 13 176.9 0.2 A 70 LYS CA C 13 55.9 0.2 A 70 LYS CB C 13 35.0 0.2 A 70 LYS CD C 13 28.8 0.2 A 70 LYS CE C 13 42.3 0.2 A 70 LYS CG C 13 24.6 0.2 A 70 LYS N N 15 124.0 0.2 A 71 SER H H 1 7.30 0.02 A 71 SER HA H 1 4.52 0.02 A 71 SER HBx H 1 3.73 0.02 A 71 SER C C 13 171.7 0.2 A 71 SER CA C 13 57.9 0.2 A 71 SER CB C 13 65.4 0.2 A 71 SER N N 15 111.4 0.2 A 72 VAL H H 1 8.38 0.02 A 72 VAL HA H 1 4.79 0.02 A 72 VAL HB H 1 1.82 0.02 A 72 VAL HG1% H 1 0.63 0.02 A 72 VAL HG2% H 1 0.68 0.02 A 72 VAL C C 13 174.3 0.2 A 72 VAL CA C 13 60.1 0.2 A 72 VAL CB C 13 34.3 0.2 A 72 VAL CG1 C 13 21.9 0.2 A 72 VAL CG2 C 13 21.4 0.2 A 72 VAL N N 15 123.2 0.2 A 73 ASN H H 1 8.78 0.02 A 73 ASN HA H 1 5.02 0.02 A 73 ASN HBy H 1 2.53 0.02 A 73 ASN HBx H 1 2.35 0.02 A 73 ASN C C 13 172.9 0.2 A 73 ASN CA C 13 52.4 0.2 A 73 ASN CB C 13 41.3 0.2 A 73 ASN N N 15 125.7 0.2 A 74 PHE H H 1 9.37 0.02 A 74 PHE HA H 1 5.37 0.02 A 74 PHE HBy H 1 3.14 0.02 A 74 PHE HBx H 1 2.64 0.02 A 74 PHE HDx H 1 7.27 0.02 A 74 PHE CA C 13 57.3 0.2 A 74 PHE CB C 13 39.3 0.2 A 74 PHE CDx C 13 133.4 0.2 A 74 PHE N N 15 126.5 0.2 A 75 VAL H H 1 9.27 0.02 A 75 VAL HA H 1 4.92 0.02 A 75 VAL HB H 1 2.46 0.02 A 75 VAL HG1% H 1 0.78 0.02 A 75 VAL HG2% H 1 0.86 0.02 A 75 VAL C C 13 174.3 0.2 A 75 VAL CA C 13 59.1 0.2 A 75 VAL CB C 13 36.9 0.2 A 75 VAL CG1 C 13 22.9 0.2 A 75 VAL CG2 C 13 19.8 0.2 A 75 VAL N N 15 116.4 0.2 A 76 ASN H H 1 8.83 0.02 A 76 ASN HA H 1 4.30 0.02 A 76 ASN HBy H 1 3.58 0.02 A 76 ASN HBx H 1 2.51 0.02 A 76 ASN C C 13 174.5 0.2 A 76 ASN CA C 13 51.3 0.2 A 76 ASN CB C 13 37.9 0.2 A 76 ASN N N 15 118.2 0.2 A 77 GLU H H 1 9.15 0.02 A 77 GLU HA H 1 3.72 0.02 A 77 GLU HBx H 1 2.05 0.02 A 77 GLU HGx H 1 2.22 0.02 A 77 GLU C C 13 178.0 0.2 A 77 GLU CA C 13 60.9 0.2 A 77 GLU CB C 13 30.1 0.2 A 77 GLU CG C 13 36.9 0.2 A 77 GLU N N 15 118.9 0.2 A 78 GLN H H 1 8.19 0.02 A 78 GLN HA H 1 4.09 0.02 A 78 GLN HBx H 1 1.97 0.02 A 78 GLN HBy H 1 2.03 0.02 A 78 GLN HGx H 1 2.32 0.02 A 78 GLN C C 13 179.5 0.2 A 78 GLN CA C 13 59.5 0.2 A 78 GLN CB C 13 28.4 0.2 A 78 GLN N N 15 118.2 0.2 A 79 ASP H H 1 8.78 0.02 A 79 ASP HA H 1 4.62 0.02 A 79 ASP HBy H 1 2.77 0.02 A 79 ASP HBx H 1 2.34 0.02 A 79 ASP CA C 13 56.9 0.2 A 79 ASP CB C 13 39.7 0.2 A 79 ASP N N 15 120.0 0.2 A 80 PHE H H 1 9.19 0.02 A 80 PHE HA H 1 3.78 0.02 A 80 PHE HBx H 1 2.95 0.02 A 80 PHE HDx H 1 6.15 0.02 A 80 PHE C C 13 176.7 0.2 A 80 PHE CA C 13 63.3 0.2 A 80 PHE CB C 13 39.1 0.2 A 80 PHE CDx C 13 131.6 0.2 A 80 PHE N N 15 126.0 0.2 A 81 PHE H H 1 8.08 0.02 A 81 PHE HA H 1 4.13 0.02 A 81 PHE HBy H 1 3.25 0.02 A 81 PHE HBx H 1 3.04 0.02 A 81 PHE HDx H 1 7.48 0.02 A 81 PHE C C 13 179.2 0.2 A 81 PHE CA C 13 62.3 0.2 A 81 PHE CB C 13 38.3 0.2 A 81 PHE CDx C 13 132.0 0.2 A 81 PHE N N 15 115.8 0.2 A 82 PHE H H 1 8.21 0.02 A 82 PHE HA H 1 4.35 0.02 A 82 PHE HBy H 1 3.32 0.02 A 82 PHE HBx H 1 3.10 0.02 A 82 PHE HDx H 1 7.19 0.02 A 82 PHE C C 13 177.9 0.2 A 82 PHE CA C 13 61.1 0.2 A 82 PHE CB C 13 39.4 0.2 A 82 PHE CDx C 13 132.0 0.2 A 82 PHE N N 15 121.1 0.2 A 83 ASN H H 1 8.21 0.02 A 83 ASN HA H 1 4.10 0.02 A 83 ASN HBy H 1 2.68 0.02 A 83 ASN HBx H 1 2.25 0.02 A 83 ASN CA C 13 56.8 0.2 A 83 ASN CB C 13 39.8 0.2 A 83 ASN N N 15 117.1 0.2 A 84 LEU H H 1 8.25 0.02 A 84 LEU HA H 1 3.65 0.02 A 84 LEU HBx H 1 1.15 0.02 A 84 LEU HBy H 1 1.46 0.02 A 84 LEU HDx% H 1 0.56 0.02 A 84 LEU HDy% H 1 0.66 0.02 A 84 LEU HG H 1 1.30 0.02 A 84 LEU C C 13 178.5 0.2 A 84 LEU CA C 13 58.1 0.2 A 84 LEU CB C 13 41.9 0.2 A 84 LEU CDx C 13 24.0 0.2 A 84 LEU CDy C 13 24.6 0.2 A 84 LEU CG C 13 26.4 0.2 A 84 LEU N N 15 121.2 0.2 A 85 ALA H H 1 7.30 0.02 A 85 ALA HA H 1 4.02 0.02 A 85 ALA HB% H 1 1.32 0.02 A 85 ALA C C 13 180.0 0.2 A 85 ALA CA C 13 54.5 0.2 A 85 ALA CB C 13 17.7 0.2 A 85 ALA N N 15 119.6 0.2 A 86 LYS H H 1 7.20 0.02 A 86 LYS HA H 1 3.96 0.02 A 86 LYS HBx H 1 1.62 0.02 A 86 LYS HBy H 1 1.67 0.02 A 86 LYS HDx H 1 1.42 0.02 A 86 LYS HDy H 1 1.48 0.02 A 86 LYS HGx H 1 1.22 24.3 A 86 LYS CA C 13 58.0 0.2 A 86 LYS CB C 13 32.1 0.2 A 86 LYS CD C 13 28.6 0.2 A 86 LYS CG C 13 24.3 0.2 A 86 LYS N N 15 117.5 0.2 A 87 LEU H H 1 7.84 0.02 A 87 LEU HA H 1 4.07 0.02 A 87 LEU HBx H 1 1.66 0.02 A 87 LEU HD1% H 1 0.65 0.02 A 87 LEU HD2% H 1 0.72 0.02 A 87 LEU HG H 1 1.68 0.02 A 87 LEU CA C 13 56.6 0.2 A 87 LEU CB C 13 42.2 0.2 A 87 LEU CD1 C 13 25.5 0.2 A 87 LEU CD2 C 13 22.4 0.2 A 87 LEU CG C 13 26.6 0.2 A 87 LEU N N 15 119.7 0.2 A 88 GLU H H 1 7.76 0.02 A 88 GLU HA H 1 4.04 0.02 A 88 GLU HBy H 1 1.97 0.02 A 88 GLU HBx H 1 1.95 0.02 A 88 GLU C C 13 177.6 0.2 A 88 GLU CA C 13 57.5 0.2 A 88 GLU CB C 13 29.9 0.2 A 88 GLU N N 15 118.5 0.2 A 89 GLU H H 1 7.86 0.02 A 89 GLU HA H 1 4.04 0.02 A 89 GLU HBx H 1 1.96 0.02 A 89 GLU C C 13 177.1 0.2 A 89 GLU CA C 13 57.8 0.2 A 89 GLU CB C 13 29.9 0.2 A 89 GLU N N 15 120.6 0.2 A 90 ASN H H 1 8.23 0.02 A 90 ASN HA H 1 4.62 0.02 A 90 ASN HBy H 1 2.82 0.02 A 90 ASN HBx H 1 2.71 0.02 A 90 ASN C C 13 175.8 0.2 A 90 ASN CA C 13 53.7 0.2 A 90 ASN CB C 13 39.0 0.2 A 90 ASN N N 15 118.0 0.2 A 91 SER H H 1 8.02 0.02 A 91 SER HA H 1 4.33 0.02 A 91 SER HBy H 1 3.82 0.02 A 91 SER HBx H 1 3.78 0.02 A 91 SER C C 13 175.0 0.2 A 91 SER CA C 13 59.0 0.2 A 91 SER CB C 13 64.0 0.2 A 91 SER N N 15 115.7 0.2 A 92 ARG H H 1 8.13 0.02 A 92 ARG HA H 1 4.26 0.02 A 92 ARG HBx H 1 1.67 0.02 A 92 ARG HDx H 1 3.12 0.02 A 92 ARG HGx H 1 1.56 0.02 A 92 ARG C C 13 176.4 0.2 A 92 ARG CA C 13 56.7 0.2 A 92 ARG CB C 13 30.6 0.2 A 92 ARG CD C 13 43.6 0.2 A 92 ARG CG C 13 27.4 0.2 A 92 ARG N N 15 122.5 0.2 A 93 ASP H H 1 8.17 0.02 A 93 ASP HA H 1 4.62 0.02 A 93 ASP HBx H 1 2.55 0.02 A 93 ASP HBy H 1 2.63 0.02 A 93 ASP C C 13 176.9 0.2 A 93 ASP CA C 13 56.9 0.2 A 93 ASP CB C 13 41.2 0.2 A 93 ASP N N 15 120.5 0.2 A 94 THR H H 1 7.91 0.02 A 94 THR HA H 1 4.22 0.02 A 94 THR HB H 1 4.15 0.02 A 94 THR HG2% H 1 1.06 0.02 A 94 THR CA C 13 62.5 0.2 A 94 THR CB C 13 69.9 0.2 A 94 THR CG2 C 13 21.6 0.2 A 94 THR N N 15 113.9 0.2 A 95 LEU H H 1 8.03 0.02 A 95 LEU HA H 1 4.22 0.02 A 95 LEU HBy H 1 1.45 0.02 A 95 LEU HBx H 1 1.39 0.02 A 95 LEU HD1% H 1 0.78 0.02 A 95 LEU HD2% H 1 0.82 0.02 A 95 LEU HG H 1 1.40 0.02 A 95 LEU C C 13 177.4 0.2 A 95 LEU CA C 13 55.7 0.2 A 95 LEU CB C 13 42.3 0.2 A 95 LEU CD1 C 13 23.5 0.2 A 95 LEU CD2 C 13 24.7 0.2 A 95 LEU CG C 13 27.0 0.2 A 95 LEU N N 15 123.8 0.2 A 96 TYR H H 1 8.02 0.02 A 96 TYR HA H 1 4.49 0.02 A 96 TYR HBy H 1 3.00 0.02 A 96 TYR HBx H 1 2.85 0.02 A 96 TYR HDx H 1 7.08 0.02 A 96 TYR HEx H 1 6.85 0.02 A 96 TYR C C 13 175.8 0.2 A 96 TYR CA C 13 57.9 0.2 A 96 TYR CB C 13 38.5 0.2 A 96 TYR CDx C 13 133.7 0.2 A 96 TYR CEx C 13 118.8 0.2 A 96 TYR N N 15 119.9 0.2 A 97 GLN H H 1 8.07 0.02 A 97 GLN HA H 1 4.25 0.02 A 97 GLN HBy H 1 1.95 0.02 A 97 GLN HBx H 1 1.83 0.02 A 97 GLN HGx H 1 2.22 0.02 A 97 GLN CA C 13 55.8 0.2 A 97 GLN CB C 13 29.5 0.2 A 97 GLN CG C 13 33.9 0.2 A 97 GLN N N 15 121.5 0.2 A 98 ASN H H 1 8.34 0.02 A 98 ASN HA H 1 4.70 0.02 A 98 ASN HBx H 1 2.75 0.02 A 98 ASN HBy H 1 2.85 0.02 A 98 ASN C C 13 174.9 0.2 A 98 ASN CA C 13 53.3 0.2 A 98 ASN CB C 13 39.2 0.2 A 98 ASN N N 15 119.9 0.2 A 99 SER H H 1 8.26 0.02 A 99 SER HA H 1 4.42 0.02 A 99 SER HBx H 1 3.84 0.02 A 99 SER C C 13 174.2 0.2 A 99 SER CA C 13 58.5 0.2 A 99 SER CB C 13 64.3 0.2 A 99 SER N N 15 116.6 0.2 A 100 GLY H H 1 8.01 0.02 A 100 GLY HAx H 1 3.55 0.02 A 100 GLY CA C 13 46.2 0.2 A 100 GLY N N 15 117.1 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.restraint_origin noe _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 7 PHE HA A 7 PHE HD% 1.0 1.8 5.3 2 2 A 7 PHE HD% A 7 PHE HBx 1.0 1.8 5.3 3 3 A 7 PHE HD% A 7 PHE HBy 1.0 1.8 5.3 4 4 A 2 GLU H A 2 GLU HA 1.0 1.8 2.9 5 5 A 2 GLU H A 2 GLU HBx 1.0 1.8 4.0 6 5 A 2 GLU H A 2 GLU HBy 1.0 1.8 4.0 7 6 A 2 GLU H A 2 GLU HGy 1.0 1.8 4.0 8 6 A 2 GLU H A 2 GLU HGx 1.0 1.8 4.0 9 7 A 3 GLN H A 3 GLN HA 1.0 1.8 2.9 10 8 A 3 GLN H A 3 GLN HBx 1.0 1.8 3.6 11 8 A 3 GLN H A 3 GLN HBy 1.0 1.8 3.6 12 9 A 3 GLN H A 3 GLN HGy 1.0 1.8 5.0 13 10 A 3 GLN H A 3 GLN HGx 1.0 1.8 5.0 14 11 A 3 GLN HA A 3 GLN HGy 1.0 1.8 5.0 15 12 A 3 GLN HA A 3 GLN HGx 1.0 1.8 5.0 16 13 A 4 PHE H A 4 PHE HBy 1.0 1.8 5.3 17 13 A 4 PHE H A 4 PHE HBx 1.0 1.8 5.3 18 14 A 4 PHE HA A 4 PHE HD% 1.0 1.8 5.3 19 15 A 5 ASN H A 5 ASN HBy 1.0 1.8 3.3 20 16 A 5 ASN H A 5 ASN HBx 1.0 1.8 3.3 21 17 A 6 ALA H A 6 ALA HB% 1.0 1.8 3.6 22 18 A 7 PHE H A 7 PHE HBy 1.0 1.8 4.2 23 18 A 7 PHE H A 7 PHE HBx 1.0 1.8 4.2 24 19 A 7 PHE HA A 7 PHE HBy 1.0 1.8 3.6 25 19 A 7 PHE HA A 7 PHE HBx 1.0 1.8 3.6 26 20 A 8 LYS H A 8 LYS HBy 1.0 1.8 3.3 27 21 A 8 LYS H A 8 LYS HBx 1.0 1.8 3.3 28 22 A 8 LYS H A 8 LYS HGy 1.0 1.8 5.0 29 23 A 8 LYS H A 8 LYS HGx 1.0 1.8 5.0 30 24 A 8 LYS HA A 8 LYS HGy 1.0 1.8 3.3 31 25 A 8 LYS HA A 8 LYS HGx 1.0 1.8 3.3 32 26 A 8 LYS HEy A 8 LYS HGx 1.0 1.8 4.7 33 26 A 8 LYS HEx A 8 LYS HGx 1.0 1.8 4.7 34 26 A 8 LYS HGy A 8 LYS HEx 1.0 1.8 4.7 35 26 A 8 LYS HGy A 8 LYS HEy 1.0 1.8 4.7 36 27 A 9 SER H A 9 SER HBy 1.0 1.8 4.0 37 27 A 9 SER H A 9 SER HBx 1.0 1.8 4.0 38 28 A 10 LEU H A 10 LEU HBy 1.0 1.8 4.0 39 28 A 10 LEU H A 10 LEU HBx 1.0 1.8 4.0 40 29 A 10 LEU H A 10 LEU HG 1.0 1.8 5.0 41 30 A 10 LEU H A 10 LEU HD1% 1.0 1.8 5.4 42 31 A 10 LEU H A 10 LEU HD2% 1.0 1.8 5.4 43 32 A 10 LEU HD1% A 10 LEU HBy 1.0 1.8 4.4 44 32 A 10 LEU HBx A 10 LEU HD1% 1.0 1.8 4.4 45 33 A 11 LEU H A 11 LEU HG 1.0 1.8 5.0 46 34 A 11 LEU H A 11 LEU HDx% 1.0 1.8 5.4 47 35 A 11 LEU H A 11 LEU HDy% 1.0 1.8 5.4 48 36 A 11 LEU HDx% A 11 LEU HA 1.0 1.8 5.4 49 37 A 11 LEU HDy% A 11 LEU HA 1.0 1.8 3.7 50 38 A 12 LYS H A 12 LYS HGy 1.0 1.8 5.0 51 39 A 12 LYS H A 12 LYS HGx 1.0 1.8 5.0 52 40 A 12 LYS HA A 12 LYS HGy 1.0 1.8 3.3 53 41 A 12 LYS HA A 12 LYS HGx 1.0 1.8 3.3 54 42 A 12 LYS HBx A 12 LYS HDx 1.0 1.8 4.7 55 42 A 12 LYS HBy A 12 LYS HDx 1.0 1.8 4.7 56 42 A 12 LYS HDy A 12 LYS HBx 1.0 1.8 4.7 57 42 A 12 LYS HBy A 12 LYS HDy 1.0 1.8 4.7 58 43 A 12 LYS HBx A 12 LYS HEx 1.0 1.8 4.7 59 43 A 12 LYS HBy A 12 LYS HEx 1.0 1.8 4.7 60 43 A 12 LYS HEy A 12 LYS HBx 1.0 1.8 4.7 61 43 A 12 LYS HBy A 12 LYS HEy 1.0 1.8 4.7 62 44 A 12 LYS HEx A 12 LYS HGx 1.0 1.8 4.7 63 44 A 12 LYS HEy A 12 LYS HGx 1.0 1.8 4.7 64 44 A 12 LYS HGy A 12 LYS HEx 1.0 1.8 4.7 65 44 A 12 LYS HEy A 12 LYS HGy 1.0 1.8 4.7 66 45 A 12 LYS HDx A 12 LYS HEx 1.0 1.8 3.9 67 45 A 12 LYS HDy A 12 LYS HEx 1.0 1.8 3.9 68 45 A 12 LYS HEy A 12 LYS HDx 1.0 1.8 3.9 69 45 A 12 LYS HDy A 12 LYS HEy 1.0 1.8 3.9 70 46 A 13 LYS H A 13 LYS HBx 1.0 1.8 4.0 71 46 A 13 LYS H A 13 LYS HBy 1.0 1.8 4.0 72 47 A 13 LYS HA A 13 LYS HGx 1.0 1.8 3.2 73 47 A 13 LYS HA A 13 LYS HGy 1.0 1.8 3.2 74 48 A 13 LYS HA A 13 LYS HEx 1.0 1.8 4.0 75 48 A 13 LYS HA A 13 LYS HEy 1.0 1.8 4.0 76 49 A 14 HIS H A 14 HIS HBx 1.0 1.8 3.6 77 49 A 14 HIS H A 14 HIS HBy 1.0 1.8 3.6 78 50 A 15 TYR H A 15 TYR HBx 1.0 1.8 4.0 79 50 A 15 TYR H A 15 TYR HBy 1.0 1.8 4.0 80 51 A 15 TYR H A 15 TYR HD% 1.0 1.8 5.3 81 52 A 15 TYR HD% A 15 TYR HA 1.0 1.8 5.3 82 53 A 16 GLU H A 16 GLU HBy 1.0 1.8 4.0 83 53 A 16 GLU H A 16 GLU HBx 1.0 1.8 4.0 84 54 A 17 LYS H A 17 LYS HBy 1.0 1.8 4.0 85 54 A 17 LYS H A 17 LYS HBx 1.0 1.8 4.0 86 55 A 17 LYS H A 17 LYS HGx 1.0 1.8 4.0 87 55 A 17 LYS H A 17 LYS HGy 1.0 1.8 4.0 88 56 A 17 LYS HGy A 17 LYS HA 1.0 1.8 3.3 89 57 A 17 LYS HA A 17 LYS HGx 1.0 1.8 3.3 90 58 A 18 THR H A 18 THR HG2% 1.0 1.8 5.4 91 59 A 18 THR HG2% A 18 THR HA 1.0 1.8 3.7 92 60 A 19 ILE H A 19 ILE HB 1.0 1.8 3.3 93 61 A 19 ILE H A 19 ILE HG2% 1.0 1.8 3.7 94 62 A 19 ILE H A 19 ILE HG1x 1.0 1.8 5.0 95 63 A 19 ILE H A 19 ILE HG1y 1.0 1.8 5.0 96 64 A 21 PHE H A 21 PHE HA 1.0 1.8 2.9 97 65 A 21 PHE H A 21 PHE HBy 1.0 1.8 3.3 98 66 A 21 PHE H A 21 PHE HBx 1.0 1.8 3.3 99 67 A 21 PHE H A 21 PHE HD% 1.0 1.8 7.0 100 68 A 21 PHE HA A 21 PHE HD% 1.0 1.8 7.0 101 69 A 22 HIS H A 22 HIS HBx 1.0 1.8 4.0 102 69 A 22 HIS H A 22 HIS HBy 1.0 1.8 4.0 103 70 A 23 ASP H A 23 ASP HBy 1.0 1.8 3.2 104 70 A 23 ASP H A 23 ASP HBx 1.0 1.8 3.2 105 71 A 24 LYS H A 24 LYS HA 1.0 1.8 2.9 106 72 A 24 LYS H A 24 LYS HBy 1.0 1.8 3.3 107 73 A 24 LYS H A 24 LYS HBx 1.0 1.8 3.3 108 74 A 24 LYS H A 24 LYS HGy 1.0 1.8 5.7 109 74 A 24 LYS H A 24 LYS HGx 1.0 1.8 5.7 110 75 A 24 LYS HA A 24 LYS HGx 1.0 1.8 5.0 111 76 A 24 LYS HA A 24 LYS HGy 1.0 1.8 5.0 112 77 A 24 LYS HA A 24 LYS HDx 1.0 1.8 4.0 113 77 A 24 LYS HA A 24 LYS HDy 1.0 1.8 4.0 114 78 A 24 LYS HBy A 24 LYS HDx 1.0 1.8 4.7 115 78 A 24 LYS HBx A 24 LYS HDx 1.0 1.8 4.7 116 78 A 24 LYS HDy A 24 LYS HBx 1.0 1.8 4.7 117 78 A 24 LYS HDy A 24 LYS HBy 1.0 1.8 4.7 118 79 A 24 LYS HGx A 24 LYS HEx 1.0 1.8 4.0 119 79 A 24 LYS HGx A 24 LYS HEy 1.0 1.8 4.0 120 80 A 24 LYS HEy A 24 LYS HGy 1.0 1.8 4.0 121 80 A 24 LYS HEx A 24 LYS HGy 1.0 1.8 4.0 122 81 A 24 LYS HDy A 24 LYS HGy 1.0 1.8 3.9 123 81 A 24 LYS HDx A 24 LYS HGy 1.0 1.8 3.9 124 81 A 24 LYS HGx A 24 LYS HDx 1.0 1.8 3.9 125 81 A 24 LYS HGx A 24 LYS HDy 1.0 1.8 3.9 126 82 A 25 TYR H A 25 TYR HDx 1.0 1.8 5.3 127 82 A 25 TYR H A 25 TYR HDy 1.0 1.8 5.3 128 83 A 25 TYR HA A 25 TYR HDx 1.0 1.8 5.3 129 83 A 25 TYR HA A 25 TYR HDy 1.0 1.8 5.3 130 84 A 25 TYR HBx A 25 TYR HDx 1.0 1.8 7.0 131 84 A 25 TYR HBx A 25 TYR HDy 1.0 1.8 7.0 132 85 A 25 TYR HBy A 25 TYR HDx 1.0 1.8 7.0 133 85 A 25 TYR HBy A 25 TYR HDy 1.0 1.8 7.0 134 86 A 26 ILE H A 26 ILE HB 1.0 1.8 3.3 135 87 A 26 ILE H A 26 ILE HG1x 1.0 1.8 3.7 136 87 A 26 ILE H A 26 ILE HG1y 1.0 1.8 3.7 137 88 A 26 ILE HA A 26 ILE HG2% 1.0 1.8 3.7 138 89 A 26 ILE HG1y A 26 ILE HA 1.0 1.8 5.0 139 90 A 26 ILE HA A 26 ILE HG1x 1.0 1.8 5.0 140 91 A 26 ILE HB A 26 ILE HD1% 1.0 1.8 5.4 141 92 A 27 LYS H A 27 LYS HA 1.0 1.8 2.9 142 93 A 27 LYS H A 27 LYS HBx 1.0 1.8 4.0 143 93 A 27 LYS H A 27 LYS HBy 1.0 1.8 4.0 144 94 A 27 LYS H A 27 LYS HGx 1.0 1.8 5.7 145 94 A 27 LYS H A 27 LYS HGy 1.0 1.8 5.7 146 95 A 27 LYS HBx A 27 LYS HEx 1.0 1.8 4.7 147 95 A 27 LYS HBy A 27 LYS HEx 1.0 1.8 4.7 148 95 A 27 LYS HEy A 27 LYS HBx 1.0 1.8 4.7 149 95 A 27 LYS HBy A 27 LYS HEy 1.0 1.8 4.7 150 96 A 27 LYS HDy A 27 LYS HGx 1.0 1.8 3.9 151 96 A 27 LYS HDx A 27 LYS HGx 1.0 1.8 3.9 152 96 A 27 LYS HGy A 27 LYS HDx 1.0 1.8 3.9 153 96 A 27 LYS HGy A 27 LYS HDy 1.0 1.8 3.9 154 97 A 27 LYS HEx A 27 LYS HGx 1.0 1.8 4.7 155 97 A 27 LYS HEy A 27 LYS HGx 1.0 1.8 4.7 156 97 A 27 LYS HGy A 27 LYS HEx 1.0 1.8 4.7 157 97 A 27 LYS HGy A 27 LYS HEy 1.0 1.8 4.7 158 98 A 27 LYS HDx A 27 LYS HEx 1.0 1.8 3.9 159 98 A 27 LYS HDy A 27 LYS HEx 1.0 1.8 3.9 160 98 A 27 LYS HEy A 27 LYS HDx 1.0 1.8 3.9 161 98 A 27 LYS HEy A 27 LYS HDy 1.0 1.8 3.9 162 99 A 28 ASP H A 28 ASP HBx 1.0 1.8 3.3 163 100 A 28 ASP H A 28 ASP HBx 1.0 1.8 3.3 164 101 A 29 ILE H A 29 ILE HB 1.0 1.8 3.3 165 102 A 29 ILE H A 29 ILE HG2% 1.0 1.8 5.4 166 103 A 29 ILE H A 29 ILE HG1y 1.0 1.8 5.7 167 103 A 29 ILE H A 29 ILE HG1x 1.0 1.8 5.7 168 104 A 29 ILE HB A 29 ILE HA 1.0 1.8 3.3 169 105 A 29 ILE HG2% A 29 ILE HA 1.0 1.8 3.7 170 106 A 29 ILE HA A 29 ILE HD1% 1.0 1.8 5.4 171 107 A 29 ILE H A 29 ILE HD1% 1.0 1.8 5.4 172 108 A 29 ILE HB A 29 ILE HD1% 1.0 1.8 3.7 173 109 A 29 ILE HG2% A 29 ILE HG1y 1.0 1.8 4.4 174 109 A 29 ILE HG2% A 29 ILE HG1x 1.0 1.8 4.4 175 110 A 30 ASN HA A 30 ASN HBy 1.0 1.8 3.6 176 110 A 30 ASN HA A 30 ASN HBx 1.0 1.8 3.6 177 111 A 31 ARG HA A 31 ARG HGx 1.0 1.8 4.0 178 111 A 31 ARG HA A 31 ARG HGy 1.0 1.8 4.0 179 112 A 31 ARG HA A 31 ARG HDx 1.0 1.8 4.0 180 112 A 31 ARG HA A 31 ARG HDy 1.0 1.8 4.0 181 113 A 32 PHE H A 32 PHE HD% 1.0 1.8 5.3 182 114 A 32 PHE HD% A 32 PHE HBx 1.0 1.8 5.3 183 115 A 32 PHE HD% A 32 PHE HBy 1.0 1.8 5.3 184 116 A 34 PHE H A 34 PHE HBy 1.0 1.8 4.0 185 116 A 34 PHE H A 34 PHE HBx 1.0 1.8 4.0 186 117 A 34 PHE HA A 34 PHE HD% 1.0 1.8 5.3 187 118 A 34 PHE HD% A 34 PHE HBy 1.0 1.8 5.3 188 119 A 34 PHE HBx A 34 PHE HD% 1.0 1.8 5.3 189 120 A 35 LYS H A 35 LYS HBx 1.0 1.8 4.0 190 120 A 35 LYS H A 35 LYS HBy 1.0 1.8 4.0 191 121 A 35 LYS H A 35 LYS HGx 1.0 1.8 5.7 192 121 A 35 LYS H A 35 LYS HGy 1.0 1.8 5.7 193 122 A 35 LYS HA A 35 LYS HGx 1.0 1.8 4.0 194 122 A 35 LYS HGy A 35 LYS HA 1.0 1.8 4.0 195 123 A 35 LYS HBx A 35 LYS HGx 1.0 1.8 3.2 196 123 A 35 LYS HBy A 35 LYS HGx 1.0 1.8 3.2 197 123 A 35 LYS HGy A 35 LYS HBx 1.0 1.8 3.2 198 123 A 35 LYS HBy A 35 LYS HGy 1.0 1.8 3.2 199 124 A 35 LYS HEx A 35 LYS HGx 1.0 1.8 4.0 200 124 A 35 LYS HEy A 35 LYS HGx 1.0 1.8 4.0 201 124 A 35 LYS HGy A 35 LYS HEx 1.0 1.8 4.0 202 124 A 35 LYS HGy A 35 LYS HEy 1.0 1.8 4.0 203 125 A 36 ASN HA A 36 ASN HBy 1.0 1.8 3.2 204 125 A 36 ASN HA A 36 ASN HBx 1.0 1.8 3.2 205 126 A 37 ASN H A 37 ASN HA 1.0 1.8 2.9 206 127 A 38 VAL H A 38 VAL HB 1.0 1.8 3.3 207 128 A 38 VAL H A 38 VAL HG2% 1.0 1.8 3.7 208 129 A 38 VAL HA A 38 VAL HG1% 1.0 1.8 3.7 209 130 A 38 VAL HG2% A 38 VAL HA 1.0 1.8 3.7 210 131 A 39 LEU H A 39 LEU HBx 1.0 1.8 4.0 211 131 A 39 LEU H A 39 LEU HBy 1.0 1.8 4.0 212 132 A 39 LEU H A 39 LEU HD1% 1.0 1.8 5.4 213 133 A 39 LEU H A 39 LEU HD2% 1.0 1.8 5.4 214 134 A 39 LEU HD1% A 39 LEU HA 1.0 1.8 3.7 215 135 A 39 LEU HD2% A 39 LEU HA 1.0 1.8 5.4 216 136 A 39 LEU HBy A 39 LEU HD2% 1.0 1.8 3.7 217 137 A 39 LEU HD2% A 39 LEU HBx 1.0 1.8 3.7 218 138 A 39 LEU HD1% A 39 LEU HBx 1.0 1.8 4.4 219 138 A 39 LEU HBy A 39 LEU HD1% 1.0 1.8 4.4 220 139 A 40 LEU H A 40 LEU HBx 1.0 1.8 4.0 221 139 A 40 LEU H A 40 LEU HBy 1.0 1.8 4.0 222 140 A 40 LEU HD2% A 40 LEU HBx 1.0 1.8 4.4 223 140 A 40 LEU HBy A 40 LEU HD2% 1.0 1.8 4.4 224 141 A 41 ILE H A 41 ILE HB 1.0 1.8 2.9 225 142 A 41 ILE H A 41 ILE HG1y 1.0 1.8 5.0 226 143 A 41 ILE H A 41 ILE HG1x 1.0 1.8 5.0 227 144 A 41 ILE H A 41 ILE HD1% 1.0 1.8 5.4 228 145 A 41 ILE HA A 41 ILE HG2% 1.0 1.8 3.7 229 146 A 41 ILE HA A 41 ILE HG1x 1.0 1.8 3.7 230 146 A 41 ILE HA A 41 ILE HG1y 1.0 1.8 3.7 231 147 A 41 ILE HB A 41 ILE HD1% 1.0 1.8 3.7 232 148 A 42 LEU H A 42 LEU HBy 1.0 1.8 5.0 233 149 A 42 LEU H A 42 LEU HBx 1.0 1.8 5.0 234 150 A 42 LEU HA A 42 LEU HD1% 1.0 1.8 5.4 235 151 A 42 LEU HA A 42 LEU HD2% 1.0 1.8 3.7 236 152 A 43 LEU H A 43 LEU HBy 1.0 1.8 4.0 237 152 A 43 LEU H A 43 LEU HBx 1.0 1.8 4.0 238 153 A 43 LEU HA A 43 LEU HD1% 1.0 1.8 3.7 239 154 A 43 LEU HA A 43 LEU HD2% 1.0 1.8 5.4 240 155 A 43 LEU HA A 43 LEU HBy 1.0 1.8 3.3 241 156 A 43 LEU HBx A 43 LEU HA 1.0 1.8 3.3 242 157 A 43 LEU HA A 43 LEU HG 1.0 1.8 3.3 243 158 A 43 LEU HBx A 43 LEU HD2% 1.0 1.8 3.7 244 159 A 43 LEU HD2% A 43 LEU HBy 1.0 1.8 3.7 245 160 A 44 GLU H A 44 GLU HGx 1.0 1.8 4.0 246 160 A 44 GLU H A 44 GLU HGy 1.0 1.8 4.0 247 161 A 44 GLU HA A 44 GLU HGx 1.0 1.8 4.0 248 161 A 44 GLU HGy A 44 GLU HA 1.0 1.8 4.0 249 162 A 45 ASN H A 45 ASN HA 1.0 1.8 2.9 250 163 A 45 ASN H A 45 ASN HBy 1.0 1.8 5.0 251 164 A 45 ASN H A 45 ASN HBx 1.0 1.8 5.0 252 165 A 46 GLU H A 46 GLU HBx 1.0 1.8 3.3 253 166 A 46 GLU H A 46 GLU HBy 1.0 1.8 3.3 254 167 A 46 GLU HA A 46 GLU HGx 1.0 1.8 4.0 255 167 A 46 GLU HA A 46 GLU HGy 1.0 1.8 4.0 256 168 A 47 PHE HD% A 47 PHE HBy 1.0 1.8 5.3 257 169 A 47 PHE HD% A 47 PHE HBx 1.0 1.8 5.3 258 170 A 47 PHE HD% A 47 PHE H 1.0 1.8 5.3 259 171 A 49 ARG H A 49 ARG HBx 1.0 1.8 4.0 260 171 A 49 ARG H A 49 ARG HBy 1.0 1.8 4.0 261 172 A 49 ARG H A 49 ARG HGx 1.0 1.8 5.7 262 172 A 49 ARG H A 49 ARG HGy 1.0 1.8 5.7 263 173 A 49 ARG HA A 49 ARG HGx 1.0 1.8 4.0 264 173 A 49 ARG HGy A 49 ARG HA 1.0 1.8 4.0 265 174 A 49 ARG HBx A 49 ARG HDx 1.0 1.8 4.7 266 174 A 49 ARG HBy A 49 ARG HDx 1.0 1.8 4.7 267 174 A 49 ARG HDy A 49 ARG HBx 1.0 1.8 4.7 268 174 A 49 ARG HBy A 49 ARG HDy 1.0 1.8 4.7 269 175 A 50 ASN H A 50 ASN HA 1.0 1.8 2.9 270 176 A 50 ASN H A 50 ASN HBx 1.0 1.8 3.6 271 176 A 50 ASN H A 50 ASN HBy 1.0 1.8 3.6 272 177 A 51 SER H A 51 SER HBy 1.0 1.8 3.3 273 178 A 51 SER H A 51 SER HBx 1.0 1.8 3.3 274 179 A 52 LEU H A 52 LEU HBy 1.0 1.8 4.0 275 179 A 52 LEU H A 52 LEU HBx 1.0 1.8 4.0 276 180 A 52 LEU H A 52 LEU HG 1.0 1.8 3.3 277 181 A 52 LEU H A 52 LEU HD1% 1.0 1.8 5.4 278 182 A 52 LEU HG A 52 LEU HA 1.0 1.8 3.3 279 183 A 52 LEU HD1% A 52 LEU HA 1.0 1.8 5.4 280 184 A 52 LEU HBx A 52 LEU HD1% 1.0 1.8 3.7 281 185 A 52 LEU HD1% A 52 LEU HBy 1.0 1.8 3.7 282 186 A 53 ASN H A 53 ASN HA 1.0 1.8 3.3 283 187 A 53 ASN H A 53 ASN HBx 1.0 1.8 2.9 284 187 A 53 ASN H A 53 ASN HBy 1.0 1.8 2.9 285 188 A 54 ASP H A 54 ASP HA 1.0 1.8 5.0 286 189 A 55 ASN H A 55 ASN HA 1.0 1.8 5.0 287 190 A 55 ASN H A 55 ASN HBy 1.0 1.8 5.0 288 191 A 55 ASN H A 55 ASN HBx 1.0 1.8 5.0 289 192 A 56 SER H A 56 SER HA 1.0 1.8 5.0 290 193 A 57 GLU H A 57 GLU HA 1.0 1.8 3.3 291 194 A 57 GLU H A 57 GLU HBx 1.0 1.8 5.0 292 194 A 57 GLU H A 57 GLU HBy 1.0 1.8 5.0 293 195 A 57 GLU H A 57 GLU HGx 1.0 1.8 5.0 294 196 A 57 GLU H A 57 GLU HGy 1.0 1.8 5.0 295 197 A 58 ILE H A 58 ILE HA 1.0 1.8 2.9 296 198 A 58 ILE H A 58 ILE HB 1.0 1.8 2.9 297 199 A 58 ILE H A 58 ILE HG2% 1.0 1.8 5.4 298 200 A 58 ILE H A 58 ILE HG1y 1.0 1.8 5.4 299 200 A 58 ILE H A 58 ILE HG1x 1.0 1.8 5.4 300 201 A 58 ILE H A 58 ILE HD1% 1.0 1.8 5.4 301 202 A 58 ILE HA A 58 ILE HG1y 1.0 1.8 5.4 302 202 A 58 ILE HA A 58 ILE HG1x 1.0 1.8 5.4 303 203 A 58 ILE HA A 58 ILE HD1% 1.0 1.8 5.4 304 204 A 58 ILE HB A 58 ILE HD1% 1.0 1.8 5.4 305 205 A 58 ILE HG2% A 58 ILE HG1y 1.0 1.8 4.4 306 205 A 58 ILE HG2% A 58 ILE HG1x 1.0 1.8 4.4 307 206 A 59 ILE H A 59 ILE HB 1.0 1.8 3.3 308 207 A 59 ILE H A 59 ILE HG2% 1.0 1.8 5.0 309 208 A 59 ILE HB A 59 ILE HD1% 1.0 1.8 3.7 310 209 A 59 ILE HG2% A 59 ILE HG1x 1.0 1.8 4.4 311 209 A 59 ILE HG2% A 59 ILE HG1y 1.0 1.8 4.4 312 210 A 59 ILE HG2% A 59 ILE HD1% 1.0 1.8 4.1 313 211 A 60 HIS H A 60 HIS HA 1.0 1.8 5.0 314 212 A 60 HIS H A 60 HIS HBx 1.0 1.8 4.0 315 212 A 60 HIS H A 60 HIS HBy 1.0 1.8 4.0 316 213 A 61 LEU H A 61 LEU HG 1.0 1.8 3.3 317 214 A 61 LEU H A 61 LEU HBx 1.0 1.8 5.0 318 215 A 61 LEU H A 61 LEU HBy 1.0 1.8 5.0 319 216 A 61 LEU H A 61 LEU HD1% 1.0 1.8 5.4 320 217 A 61 LEU H A 61 LEU HD2% 1.0 1.8 5.4 321 218 A 61 LEU HD1% A 61 LEU HA 1.0 1.8 5.4 322 219 A 61 LEU HD1% A 61 LEU HBx 1.0 1.8 4.4 323 219 A 61 LEU HD1% A 61 LEU HBy 1.0 1.8 4.4 324 220 A 61 LEU HD2% A 61 LEU HBx 1.0 1.8 4.4 325 220 A 61 LEU HD2% A 61 LEU HBy 1.0 1.8 4.4 326 221 A 63 GLU H A 63 GLU HBx 1.0 1.8 4.0 327 221 A 63 GLU H A 63 GLU HBy 1.0 1.8 4.0 328 222 A 63 GLU H A 63 GLU HGx 1.0 1.8 2.9 329 223 A 63 GLU H A 63 GLU HGy 1.0 1.8 2.9 330 224 A 63 GLU HA A 63 GLU HGy 1.0 1.8 4.0 331 224 A 63 GLU HA A 63 GLU HGx 1.0 1.8 4.0 332 225 A 64 SER H A 64 SER HBx 1.0 1.8 3.6 333 225 A 64 SER H A 64 SER HBy 1.0 1.8 3.6 334 226 A 65 LEU H A 65 LEU HBx 1.0 1.8 4.0 335 226 A 65 LEU H A 65 LEU HBy 1.0 1.8 4.0 336 227 A 65 LEU H A 65 LEU HD2% 1.0 1.8 5.4 337 228 A 65 LEU HA A 65 LEU HD1% 1.0 1.8 5.4 338 229 A 65 LEU HD2% A 65 LEU HA 1.0 1.8 5.4 339 230 A 66 TYR H A 66 TYR HBx 1.0 1.8 4.0 340 230 A 66 TYR H A 66 TYR HBy 1.0 1.8 4.0 341 231 A 66 TYR HBx A 66 TYR HDx 1.0 1.8 5.3 342 231 A 66 TYR HDy A 66 TYR HBx 1.0 1.8 5.3 343 232 A 66 TYR HBy A 66 TYR HDx 1.0 1.8 5.3 344 232 A 66 TYR HBy A 66 TYR HDy 1.0 1.8 5.3 345 233 A 67 GLU H A 67 GLU HBx 1.0 1.8 3.6 346 233 A 67 GLU H A 67 GLU HBy 1.0 1.8 3.6 347 234 A 67 GLU H A 67 GLU HGx 1.0 1.8 4.0 348 234 A 67 GLU H A 67 GLU HGy 1.0 1.8 4.0 349 235 A 68 GLY H A 68 GLY HAy 1.0 1.8 3.3 350 236 A 68 GLY H A 68 GLY HAx 1.0 1.8 3.3 351 237 A 69 ILE H A 69 ILE HG1y 1.0 1.8 3.3 352 238 A 69 ILE H A 69 ILE HG1x 1.0 1.8 3.3 353 239 A 69 ILE HA A 69 ILE HG2% 1.0 1.8 3.7 354 240 A 69 ILE HA A 69 ILE HG1x 1.0 1.8 4.0 355 240 A 69 ILE HA A 69 ILE HG1y 1.0 1.8 4.0 356 241 A 69 ILE HA A 69 ILE HD1% 1.0 1.8 3.7 357 242 A 69 ILE HG2% A 69 ILE HG1x 1.0 1.8 4.4 358 242 A 69 ILE HG2% A 69 ILE HG1y 1.0 1.8 4.4 359 243 A 69 ILE HG2% A 69 ILE HD1% 1.0 1.8 4.1 360 244 A 70 LYS HA A 70 LYS HGy 1.0 1.8 4.0 361 244 A 70 LYS HA A 70 LYS HGx 1.0 1.8 4.0 362 245 A 70 LYS HA A 70 LYS HDx 1.0 1.8 4.0 363 245 A 70 LYS HA A 70 LYS HDy 1.0 1.8 4.0 364 246 A 72 VAL H A 72 VAL HG2% 1.0 1.8 3.7 365 247 A 72 VAL HA A 72 VAL HG1% 1.0 1.8 3.7 366 248 A 73 ASN H A 73 ASN HBy 1.0 1.8 3.3 367 249 A 73 ASN H A 73 ASN HBx 1.0 1.8 3.3 368 250 A 74 PHE HA A 74 PHE HD% 1.0 1.8 7.0 369 251 A 74 PHE HD% A 74 PHE HBx 1.0 1.8 5.3 370 252 A 74 PHE HD% A 74 PHE HBy 1.0 1.8 5.3 371 253 A 75 VAL H A 75 VAL HG2% 1.0 1.8 3.3 372 254 A 75 VAL HA A 75 VAL HG1% 1.0 1.8 3.7 373 255 A 77 GLU H A 77 GLU HGx 1.0 1.8 5.7 374 255 A 77 GLU H A 77 GLU HGy 1.0 1.8 5.7 375 256 A 77 GLU HA A 77 GLU HGx 1.0 1.8 4.0 376 256 A 77 GLU HGy A 77 GLU HA 1.0 1.8 4.0 377 257 A 78 GLN H A 78 GLN HBx 1.0 1.8 4.0 378 257 A 78 GLN H A 78 GLN HBy 1.0 1.8 4.0 379 258 A 78 GLN HA A 78 GLN HGx 1.0 1.8 3.2 380 258 A 78 GLN HA A 78 GLN HGy 1.0 1.8 3.2 381 259 A 79 ASP H A 79 ASP HBy 1.0 1.8 4.2 382 259 A 79 ASP H A 79 ASP HBx 1.0 1.8 4.2 383 260 A 80 PHE H A 80 PHE HBx 1.0 1.8 3.6 384 260 A 80 PHE H A 80 PHE HBy 1.0 1.8 3.6 385 261 A 81 PHE HA A 81 PHE HD% 1.0 1.8 5.3 386 262 A 82 PHE H A 82 PHE HA 1.0 1.8 2.9 387 263 A 82 PHE H A 82 PHE HBy 1.0 1.8 4.0 388 263 A 82 PHE H A 82 PHE HBx 1.0 1.8 4.0 389 264 A 83 ASN H A 83 ASN HBy 1.0 1.8 3.3 390 265 A 83 ASN H A 83 ASN HBx 1.0 1.8 3.3 391 266 A 84 LEU H A 84 LEU HDx% 1.0 1.8 6.5 392 266 A 84 LEU H A 84 LEU HDy% 1.0 1.8 6.5 393 267 A 85 ALA H A 85 ALA HA 1.0 1.8 2.9 394 268 A 86 LYS H A 86 LYS HA 1.0 1.8 2.9 395 269 A 86 LYS H A 86 LYS HBy 1.0 1.8 4.0 396 269 A 86 LYS H A 86 LYS HBx 1.0 1.8 4.0 397 270 A 86 LYS H A 86 LYS HGx 1.0 1.8 5.7 398 270 A 86 LYS H A 86 LYS HGy 1.0 1.8 5.7 399 271 A 86 LYS HA A 86 LYS HGx 1.0 1.8 4.0 400 271 A 86 LYS HA A 86 LYS HGy 1.0 1.8 4.0 401 272 A 86 LYS HA A 86 LYS HDx 1.0 1.8 5.7 402 272 A 86 LYS HA A 86 LYS HDy 1.0 1.8 5.7 403 273 A 87 LEU H A 87 LEU HD1% 1.0 1.8 3.7 404 274 A 88 GLU H A 88 GLU HBy 1.0 1.8 4.0 405 274 A 88 GLU H A 88 GLU HBx 1.0 1.8 4.0 406 275 A 91 SER H A 91 SER HBy 1.0 1.8 4.0 407 275 A 91 SER H A 91 SER HBx 1.0 1.8 4.0 408 276 A 92 ARG H A 92 ARG HBx 1.0 1.8 4.0 409 276 A 92 ARG H A 92 ARG HBy 1.0 1.8 4.0 410 277 A 92 ARG HBx A 92 ARG HDx 1.0 1.8 4.7 411 277 A 92 ARG HBy A 92 ARG HDx 1.0 1.8 4.7 412 277 A 92 ARG HDy A 92 ARG HBx 1.0 1.8 4.7 413 277 A 92 ARG HBy A 92 ARG HDy 1.0 1.8 4.7 414 278 A 93 ASP H A 93 ASP HBx 1.0 1.8 4.0 415 278 A 93 ASP H A 93 ASP HBy 1.0 1.8 4.0 416 279 A 94 THR H A 94 THR HB 1.0 1.8 2.9 417 280 A 94 THR H A 94 THR HG2% 1.0 1.8 3.7 418 281 A 95 LEU H A 95 LEU HBy 1.0 1.8 4.0 419 281 A 95 LEU H A 95 LEU HBx 1.0 1.8 4.0 420 282 A 95 LEU H A 95 LEU HG 1.0 1.8 5.0 421 283 A 95 LEU H A 95 LEU HD1% 1.0 1.8 3.7 422 284 A 95 LEU H A 95 LEU HD2% 1.0 1.8 5.4 423 285 A 96 TYR H A 96 TYR HBy 1.0 1.8 3.3 424 286 A 96 TYR H A 96 TYR HBx 1.0 1.8 3.3 425 287 A 2 GLU H A 3 GLN H 1.0 1.8 2.9 426 288 A 2 GLU H A 3 GLN HA 1.0 1.8 5.0 427 289 A 3 GLN H A 2 GLU HBx 1.0 1.8 4.0 428 289 A 2 GLU HBy A 3 GLN H 1.0 1.8 4.0 429 290 A 2 GLU HGx A 3 GLN H 1.0 1.8 5.0 430 291 A 3 GLN H A 2 GLU HGy 1.0 1.8 5.0 431 292 A 3 GLN H A 4 PHE H 1.0 1.8 3.3 432 293 A 4 PHE H A 3 GLN HBx 1.0 1.8 4.0 433 293 A 3 GLN HBy A 4 PHE H 1.0 1.8 4.0 434 294 A 4 PHE H A 5 ASN H 1.0 1.8 2.9 435 295 A 4 PHE HD% A 5 ASN H 1.0 1.8 7.0 436 296 A 5 ASN H A 6 ALA H 1.0 1.8 2.9 437 297 A 5 ASN H A 6 ALA HB% 1.0 1.8 5.4 438 298 A 6 ALA H A 5 ASN HBy 1.0 1.8 4.0 439 298 A 6 ALA H A 5 ASN HBx 1.0 1.8 4.0 440 299 A 7 PHE H A 8 LYS H 1.0 1.8 2.9 441 300 A 7 PHE HD% A 8 LYS H 1.0 1.8 5.3 442 301 A 8 LYS H A 9 SER H 1.0 1.8 2.9 443 302 A 9 SER H A 8 LYS HBy 1.0 1.8 5.0 444 303 A 9 SER H A 8 LYS HBx 1.0 1.8 5.0 445 304 A 9 SER H A 10 LEU H 1.0 1.8 2.9 446 305 A 11 LEU H A 12 LYS H 1.0 1.8 3.3 447 306 A 12 LYS H A 13 LYS H 1.0 1.8 3.3 448 307 A 13 LYS H A 14 HIS H 1.0 1.8 2.9 449 308 A 13 LYS HBy A 14 HIS H 1.0 1.8 3.3 450 309 A 14 HIS H A 13 LYS HBx 1.0 1.8 3.3 451 310 A 14 HIS H A 15 TYR H 1.0 1.8 3.3 452 311 A 15 TYR H A 16 GLU H 1.0 1.8 2.9 453 312 A 15 TYR HBy A 16 GLU H 1.0 1.8 5.0 454 313 A 16 GLU H A 15 TYR HBx 1.0 1.8 5.0 455 314 A 16 GLU H A 17 LYS H 1.0 1.8 3.3 456 315 A 18 THR H A 19 ILE H 1.0 1.8 3.3 457 316 A 19 ILE H A 20 GLY H 1.0 1.8 5.0 458 317 A 19 ILE HB A 20 GLY H 1.0 1.8 5.0 459 318 A 19 ILE HG2% A 20 GLY H 1.0 1.8 5.4 460 319 A 19 ILE HG2% A 20 GLY HAx 1.0 1.8 6.1 461 319 A 19 ILE HG2% A 20 GLY HAy 1.0 1.8 6.1 462 320 A 21 PHE H A 20 GLY H 1.0 1.8 3.3 463 321 A 21 PHE H A 22 HIS H 1.0 1.8 3.3 464 322 A 22 HIS H A 23 ASP H 1.0 1.8 3.3 465 323 A 23 ASP H A 22 HIS HBx 1.0 1.8 4.0 466 323 A 22 HIS HBy A 23 ASP H 1.0 1.8 4.0 467 324 A 23 ASP H A 24 LYS H 1.0 1.8 3.3 468 325 A 24 LYS H A 25 TYR H 1.0 1.8 2.9 469 326 A 24 LYS HBy A 25 TYR H 1.0 1.8 3.3 470 327 A 24 LYS HBy A 25 TYR HEx 1.0 1.8 7.0 471 327 A 24 LYS HBy A 25 TYR HEy 1.0 1.8 7.0 472 328 A 25 TYR H A 24 LYS HBx 1.0 1.8 3.3 473 329 A 25 TYR HEx A 24 LYS HBx 1.0 1.8 7.0 474 329 A 25 TYR HEy A 24 LYS HBx 1.0 1.8 7.0 475 330 A 25 TYR H A 26 ILE H 1.0 1.8 2.9 476 331 A 26 ILE H A 27 LYS H 1.0 1.8 2.9 477 332 A 26 ILE HB A 27 LYS H 1.0 1.8 3.3 478 333 A 27 LYS H A 28 ASP H 1.0 1.8 5.0 479 334 A 28 ASP H A 27 LYS HBx 1.0 1.8 4.0 480 334 A 27 LYS HBy A 28 ASP H 1.0 1.8 4.0 481 335 A 28 ASP H A 27 LYS HGx 1.0 1.8 5.7 482 335 A 27 LYS HGy A 28 ASP H 1.0 1.8 5.7 483 336 A 29 ILE HA A 30 ASN H 1.0 1.8 3.3 484 337 A 29 ILE HG2% A 30 ASN H 1.0 1.8 3.7 485 338 A 29 ILE HD1% A 30 ASN H 1.0 1.8 5.4 486 339 A 30 ASN H A 31 ARG H 1.0 1.8 2.9 487 340 A 32 PHE H A 31 ARG H 1.0 1.8 5.0 488 341 A 31 ARG HA A 32 PHE H 1.0 1.8 2.9 489 342 A 32 PHE H A 31 ARG HDx 1.0 1.8 5.7 490 342 A 31 ARG HDy A 32 PHE H 1.0 1.8 5.7 491 343 A 32 PHE H A 33 VAL H 1.0 1.8 5.0 492 344 A 33 VAL H A 32 PHE HA 1.0 1.8 3.3 493 345 A 33 VAL H A 32 PHE HBy 1.0 1.8 5.0 494 346 A 33 VAL H A 32 PHE HBx 1.0 1.8 5.0 495 347 A 32 PHE HD% A 33 VAL HA 1.0 1.8 7.0 496 348 A 34 PHE H A 33 VAL H 1.0 1.8 5.0 497 349 A 34 PHE H A 33 VAL HA 1.0 1.8 2.9 498 350 A 34 PHE H A 33 VAL HB 1.0 1.8 3.3 499 351 A 34 PHE H A 33 VAL HGx% 1.0 1.8 4.7 500 351 A 34 PHE H A 33 VAL HG21 1.0 1.8 4.7 501 352 A 34 PHE H A 35 LYS H 1.0 1.8 5.0 502 353 A 34 PHE HA A 35 LYS H 1.0 1.8 2.9 503 354 A 34 PHE HD% A 35 LYS H 1.0 1.8 5.3 504 355 A 36 ASN H A 35 LYS HBx 1.0 1.8 5.7 505 355 A 35 LYS HBy A 36 ASN H 1.0 1.8 5.7 506 356 A 36 ASN H A 35 LYS HGx 1.0 1.8 5.7 507 356 A 35 LYS HGy A 36 ASN H 1.0 1.8 5.7 508 357 A 37 ASN H A 36 ASN H 1.0 1.8 5.0 509 358 A 37 ASN H A 38 VAL H 1.0 1.8 3.3 510 359 A 38 VAL H A 39 LEU H 1.0 1.8 5.0 511 360 A 38 VAL HA A 39 LEU H 1.0 1.8 2.9 512 361 A 38 VAL HA A 39 LEU HD1% 1.0 1.8 5.4 513 362 A 38 VAL HB A 39 LEU H 1.0 1.8 5.0 514 363 A 38 VAL HG1% A 39 LEU H 1.0 1.8 3.7 515 364 A 39 LEU HA A 40 LEU H 1.0 1.8 2.9 516 365 A 41 ILE H A 40 LEU HA 1.0 1.8 2.5 517 366 A 41 ILE HA A 42 LEU H 1.0 1.8 2.9 518 367 A 41 ILE HG2% A 42 LEU H 1.0 1.8 3.7 519 368 A 42 LEU H A 41 ILE HG1x 1.0 1.8 6.3 520 368 A 41 ILE HG1y A 42 LEU H 1.0 1.8 6.3 521 369 A 42 LEU H A 43 LEU H 1.0 1.8 5.0 522 370 A 43 LEU H A 42 LEU HBx 1.0 1.8 6.6 523 370 A 43 LEU H A 42 LEU HBy 1.0 1.8 6.6 524 371 A 43 LEU HD1% A 44 GLU H 1.0 1.8 5.4 525 372 A 44 GLU H A 45 ASN H 1.0 1.8 3.3 526 373 A 45 ASN H A 46 GLU H 1.0 1.8 5.0 527 374 A 45 ASN HA A 46 GLU H 1.0 1.8 2.9 528 375 A 46 GLU H A 47 PHE H 1.0 1.8 3.3 529 376 A 46 GLU H A 47 PHE HD% 1.0 1.8 7.0 530 377 A 46 GLU HBx A 47 PHE H 1.0 1.8 5.0 531 378 A 46 GLU HBy A 47 PHE H 1.0 1.8 5.0 532 379 A 47 PHE H A 46 GLU HGx 1.0 1.8 5.7 533 379 A 46 GLU HGy A 47 PHE H 1.0 1.8 5.7 534 380 A 47 PHE HA A 46 GLU HGx 1.0 1.8 4.0 535 380 A 46 GLU HGy A 47 PHE HA 1.0 1.8 4.0 536 381 A 47 PHE H A 48 ALA H 1.0 1.8 2.9 537 382 A 48 ALA H A 47 PHE HBy 1.0 1.8 4.0 538 382 A 48 ALA H A 47 PHE HBx 1.0 1.8 4.0 539 383 A 47 PHE HD% A 48 ALA H 1.0 1.8 7.0 540 384 A 49 ARG H A 48 ALA H 1.0 1.8 3.3 541 385 A 49 ARG HA A 48 ALA HB% 1.0 1.8 5.4 542 386 A 49 ARG H A 50 ASN H 1.0 1.8 3.3 543 387 A 50 ASN H A 49 ARG HBx 1.0 1.8 4.0 544 387 A 49 ARG HBy A 50 ASN H 1.0 1.8 4.0 545 388 A 50 ASN H A 51 SER H 1.0 1.8 2.9 546 389 A 51 SER H A 50 ASN HBx 1.0 1.8 4.0 547 389 A 50 ASN HBy A 51 SER H 1.0 1.8 4.0 548 390 A 51 SER H A 52 LEU H 1.0 1.8 3.3 549 391 A 51 SER HBy A 52 LEU H 1.0 1.8 3.3 550 392 A 51 SER HBx A 52 LEU H 1.0 1.8 3.3 551 393 A 52 LEU H A 53 ASN H 1.0 1.8 3.3 552 394 A 52 LEU HBx A 53 ASN H 1.0 1.8 5.0 553 395 A 53 ASN H A 52 LEU HBy 1.0 1.8 5.0 554 396 A 52 LEU HD1% A 53 ASN H 1.0 1.8 5.4 555 397 A 55 ASN HA A 56 SER H 1.0 1.8 2.9 556 398 A 56 SER H A 57 GLU H 1.0 1.8 3.3 557 399 A 57 GLU H A 58 ILE H 1.0 1.8 3.3 558 400 A 58 ILE H A 59 ILE H 1.0 1.8 3.3 559 401 A 58 ILE HB A 59 ILE H 1.0 1.8 5.0 560 402 A 59 ILE H A 60 HIS H 1.0 1.8 5.0 561 403 A 59 ILE HB A 60 HIS H 1.0 1.8 5.0 562 404 A 59 ILE HG2% A 60 HIS H 1.0 1.8 3.7 563 405 A 60 HIS H A 61 LEU H 1.0 1.8 3.3 564 406 A 60 HIS H A 61 LEU HD1% 1.0 1.8 3.7 565 407 A 60 HIS H A 61 LEU HG 1.0 1.8 5.0 566 408 A 61 LEU H A 60 HIS HBx 1.0 1.8 4.0 567 408 A 60 HIS HBy A 61 LEU H 1.0 1.8 4.0 568 409 A 61 LEU H A 62 ALA H 1.0 1.8 2.9 569 410 A 61 LEU HBy A 62 ALA H 1.0 1.8 5.0 570 411 A 62 ALA H A 61 LEU HBx 1.0 1.8 5.0 571 412 A 61 LEU HD1% A 62 ALA H 1.0 1.8 5.4 572 413 A 61 LEU HD2% A 62 ALA H 1.0 1.8 5.4 573 414 A 63 GLU H A 62 ALA H 1.0 1.8 2.9 574 415 A 63 GLU H A 64 SER H 1.0 1.8 3.3 575 416 A 63 GLU HA A 64 SER H 1.0 1.8 3.3 576 417 A 64 SER H A 63 GLU HGy 1.0 1.8 4.0 577 417 A 63 GLU HGx A 64 SER H 1.0 1.8 4.0 578 418 A 65 LEU H A 66 TYR H 1.0 1.8 2.9 579 419 A 65 LEU H A 66 TYR HDy 1.0 1.8 5.0 580 420 A 66 TYR H A 65 LEU HBx 1.0 1.8 4.0 581 420 A 65 LEU HBy A 66 TYR H 1.0 1.8 4.0 582 421 A 65 LEU HBx A 66 TYR HDx 1.0 1.8 7.0 583 421 A 66 TYR HDy A 65 LEU HBx 1.0 1.8 7.0 584 422 A 65 LEU HBy A 66 TYR HDx 1.0 1.8 7.0 585 422 A 65 LEU HBy A 66 TYR HDy 1.0 1.8 7.0 586 423 A 65 LEU HD2% A 66 TYR HDx 1.0 1.8 7.4 587 423 A 65 LEU HD2% A 66 TYR HDy 1.0 1.8 7.4 588 424 A 66 TYR HEx A 65 LEU HBx 1.0 1.8 5.3 589 424 A 66 TYR HEy A 65 LEU HBx 1.0 1.8 5.3 590 425 A 65 LEU HD2% A 66 TYR HEx 1.0 1.8 7.4 591 425 A 65 LEU HD2% A 66 TYR HEy 1.0 1.8 7.4 592 426 A 65 LEU HBy A 66 TYR HEx 1.0 1.8 6.0 593 426 A 65 LEU HBy A 66 TYR HEy 1.0 1.8 6.0 594 427 A 65 LEU HG A 66 TYR HEx 1.0 1.8 7.0 595 427 A 65 LEU HG A 66 TYR HEy 1.0 1.8 7.0 596 428 A 66 TYR H A 67 GLU H 1.0 1.8 5.0 597 429 A 67 GLU H A 66 TYR HA 1.0 1.8 3.3 598 430 A 67 GLU H A 68 GLY H 1.0 1.8 5.0 599 431 A 68 GLY H A 67 GLU HBx 1.0 1.8 4.0 600 431 A 67 GLU HBy A 68 GLY H 1.0 1.8 4.0 601 432 A 68 GLY H A 67 GLU HGx 1.0 1.8 5.7 602 432 A 67 GLU HGy A 68 GLY H 1.0 1.8 5.7 603 433 A 68 GLY H A 69 ILE H 1.0 1.8 3.3 604 434 A 68 GLY HAy A 69 ILE H 1.0 1.8 5.0 605 435 A 68 GLY HAx A 69 ILE H 1.0 1.8 5.0 606 436 A 69 ILE HA A 70 LYS H 1.0 1.8 3.3 607 437 A 70 LYS H A 71 SER H 1.0 1.8 3.3 608 438 A 71 SER H A 70 LYS HBy 1.0 1.8 5.7 609 438 A 71 SER H A 70 LYS HBx 1.0 1.8 5.7 610 439 A 72 VAL H A 71 SER H 1.0 1.8 5.0 611 440 A 72 VAL H A 71 SER HA 1.0 1.8 2.9 612 441 A 72 VAL H A 71 SER HBx 1.0 1.8 4.0 613 441 A 72 VAL H A 71 SER HBy 1.0 1.8 4.0 614 442 A 72 VAL H A 73 ASN H 1.0 1.8 5.0 615 443 A 72 VAL HA A 73 ASN H 1.0 1.8 2.9 616 444 A 73 ASN H A 72 VAL HG1% 1.0 1.8 3.7 617 445 A 74 PHE HA A 75 VAL H 1.0 1.8 2.9 618 446 A 75 VAL H A 74 PHE HBy 1.0 1.8 5.0 619 447 A 75 VAL H A 74 PHE HBx 1.0 1.8 5.0 620 448 A 75 VAL HA A 76 ASN H 1.0 1.8 2.9 621 449 A 76 ASN H A 75 VAL HB 1.0 1.8 2.9 622 450 A 75 VAL HG1% A 76 ASN H 1.0 1.8 5.4 623 451 A 77 GLU H A 76 ASN HBy 1.0 1.8 3.3 624 452 A 77 GLU H A 76 ASN HBx 1.0 1.8 3.3 625 453 A 77 GLU H A 78 GLN H 1.0 1.8 3.3 626 454 A 78 GLN H A 77 GLU HGx 1.0 1.8 5.7 627 454 A 77 GLU HGy A 78 GLN H 1.0 1.8 5.7 628 455 A 78 GLN H A 79 ASP H 1.0 1.8 2.9 629 456 A 79 ASP H A 78 GLN HBx 1.0 1.8 4.9 630 456 A 78 GLN HBy A 79 ASP H 1.0 1.8 4.9 631 457 A 79 ASP H A 80 PHE H 1.0 1.8 3.3 632 458 A 79 ASP H A 80 PHE HBx 1.0 1.8 5.7 633 458 A 79 ASP H A 80 PHE HBy 1.0 1.8 5.7 634 459 A 80 PHE H A 81 PHE H 1.0 1.8 3.3 635 460 A 80 PHE H A 81 PHE HBy 1.0 1.8 5.7 636 460 A 80 PHE H A 81 PHE HBx 1.0 1.8 5.7 637 461 A 81 PHE H A 80 PHE HD% 1.0 1.8 7.0 638 462 A 82 PHE H A 81 PHE HBy 1.0 1.8 5.0 639 463 A 82 PHE H A 81 PHE HBx 1.0 1.8 5.0 640 464 A 83 ASN H A 82 PHE HBy 1.0 1.8 5.0 641 465 A 82 PHE HBx A 83 ASN H 1.0 1.8 5.0 642 466 A 83 ASN H A 82 PHE HD% 1.0 1.8 7.0 643 467 A 84 LEU H A 83 ASN HBy 1.0 1.8 5.0 644 468 A 84 LEU H A 83 ASN HBx 1.0 1.8 5.0 645 469 A 84 LEU H A 85 ALA H 1.0 1.8 5.0 646 470 A 84 LEU H A 85 ALA HA 1.0 1.8 5.0 647 471 A 85 ALA H A 84 LEU HBy 1.0 1.8 4.0 648 471 A 85 ALA H A 84 LEU HBx 1.0 1.8 4.0 649 472 A 86 LYS H A 87 LEU H 1.0 1.8 3.3 650 473 A 87 LEU H A 86 LYS HGx 1.0 1.8 4.0 651 473 A 86 LYS HGy A 87 LEU H 1.0 1.8 4.0 652 474 A 89 GLU H A 90 ASN H 1.0 1.8 3.3 653 475 A 91 SER H A 90 ASN HA 1.0 1.8 3.3 654 476 A 92 ARG H A 91 SER HA 1.0 1.8 3.3 655 477 A 94 THR H A 93 ASP HBx 1.0 1.8 4.0 656 477 A 93 ASP HBy A 94 THR H 1.0 1.8 4.0 657 478 A 94 THR HB A 95 LEU H 1.0 1.8 5.0 658 479 A 94 THR HG2% A 95 LEU H 1.0 1.8 5.4 659 480 A 96 TYR HA A 97 GLN H 1.0 1.8 3.3 660 481 A 26 ILE HG2% A 22 HIS HD2 1.0 1.8 5.4 661 482 A 27 LYS HA A 22 HIS HE1 1.0 1.8 3.3 662 483 A 22 HIS HE1 A 27 LYS HBx 1.0 1.8 5.7 663 483 A 27 LYS HBy A 22 HIS HE1 1.0 1.8 5.7 664 484 A 22 HIS HE1 A 27 LYS HGx 1.0 1.8 5.7 665 484 A 27 LYS HGy A 22 HIS HE1 1.0 1.8 5.7 666 485 A 18 THR HG2% A 21 PHE HBy 1.0 1.8 4.4 667 485 A 18 THR HG2% A 21 PHE HBx 1.0 1.8 4.4 668 486 A 18 THR HG2% A 21 PHE HD% 1.0 1.8 5.7 669 487 A 21 PHE HA A 25 TYR HDx 1.0 1.8 5.0 670 488 A 21 PHE HA A 25 TYR HEx 1.0 1.8 5.0 671 489 A 2 GLU HA A 5 ASN H 1.0 1.8 5.0 672 490 A 2 GLU HA A 5 ASN HBy 1.0 1.8 3.3 673 491 A 2 GLU HA A 5 ASN HBx 1.0 1.8 3.3 674 492 A 3 GLN HA A 6 ALA H 1.0 1.8 5.0 675 493 A 3 GLN HA A 6 ALA HB% 1.0 1.8 3.3 676 494 A 4 PHE HA A 7 PHE HBy 1.0 1.8 5.0 677 495 A 4 PHE HA A 7 PHE HBx 1.0 1.8 5.0 678 496 A 5 ASN HA A 8 LYS HBx 1.0 1.8 4.0 679 496 A 5 ASN HA A 8 LYS HBy 1.0 1.8 4.0 680 497 A 5 ASN HA A 8 LYS HEx 1.0 1.8 4.0 681 497 A 8 LYS HEy A 5 ASN HA 1.0 1.8 4.0 682 498 A 6 ALA HA A 9 SER HBy 1.0 1.8 4.0 683 498 A 9 SER HBx A 6 ALA HA 1.0 1.8 4.0 684 499 A 7 PHE HA A 10 LEU HBy 1.0 1.8 4.0 685 499 A 7 PHE HA A 10 LEU HBx 1.0 1.8 4.0 686 500 A 8 LYS HA A 11 LEU H 1.0 1.8 3.3 687 501 A 8 LYS HA A 11 LEU HBx 1.0 1.8 4.0 688 501 A 8 LYS HA A 11 LEU HBy 1.0 1.8 4.0 689 502 A 8 LYS HA A 11 LEU HDx% 1.0 1.8 3.7 690 503 A 11 LEU HDx% A 8 LYS HGx 1.0 1.8 3.7 691 504 A 12 LYS H A 9 SER HA 1.0 1.8 5.0 692 505 A 12 LYS HBy A 9 SER HA 1.0 1.8 5.0 693 506 A 9 SER HA A 12 LYS HBx 1.0 1.8 5.0 694 507 A 13 LYS H A 10 LEU HA 1.0 1.8 5.0 695 508 A 13 LYS HBy A 10 LEU HA 1.0 1.8 5.0 696 509 A 10 LEU HA A 13 LYS HBx 1.0 1.8 5.0 697 510 A 11 LEU HA A 14 HIS HBx 1.0 1.8 4.0 698 510 A 11 LEU HA A 14 HIS HBy 1.0 1.8 4.0 699 511 A 11 LEU HA A 14 HIS H 1.0 1.8 3.3 700 512 A 11 LEU HA A 15 TYR HD% 1.0 1.8 7.0 701 513 A 11 LEU HDx% A 15 TYR HD% 1.0 1.8 7.4 702 514 A 11 LEU HDy% A 15 TYR HD% 1.0 1.8 4.9 703 515 A 11 LEU HDy% A 15 TYR HE% 1.0 1.8 5.7 704 516 A 12 LYS HA A 15 TYR H 1.0 1.8 5.0 705 517 A 12 LYS HA A 15 TYR HBx 1.0 1.8 4.0 706 517 A 12 LYS HA A 15 TYR HBy 1.0 1.8 4.0 707 518 A 13 LYS HA A 16 GLU H 1.0 1.8 5.0 708 519 A 13 LYS HA A 16 GLU HBy 1.0 1.8 4.0 709 519 A 13 LYS HA A 16 GLU HBx 1.0 1.8 4.0 710 520 A 15 TYR HA A 18 THR H 1.0 1.8 3.3 711 521 A 18 THR HA A 21 PHE HBy 1.0 1.8 5.0 712 522 A 18 THR HA A 21 PHE HBx 1.0 1.8 5.0 713 523 A 18 THR HA A 15 TYR HE% 1.0 1.8 7.0 714 524 A 22 HIS HBy A 19 ILE HA 1.0 1.8 3.3 715 525 A 19 ILE HA A 22 HIS HBx 1.0 1.8 3.3 716 526 A 23 ASP H A 20 GLY HAx 1.0 1.8 5.7 717 526 A 23 ASP H A 20 GLY HAy 1.0 1.8 5.7 718 527 A 23 ASP HBx A 20 GLY HAx 1.0 1.8 5.0 719 528 A 23 ASP HBx A 20 GLY HAy 1.0 1.8 5.0 720 529 A 20 GLY HAx A 23 ASP HBy 1.0 1.8 5.0 721 530 A 21 PHE HA A 24 LYS HBy 1.0 1.8 3.3 722 531 A 21 PHE HA A 24 LYS HBx 1.0 1.8 3.3 723 532 A 25 TYR H A 22 HIS HA 1.0 1.8 5.0 724 533 A 23 ASP H A 22 HIS HBx 1.0 1.8 4.9 725 533 A 22 HIS HBy A 23 ASP H 1.0 1.8 4.9 726 534 A 34 PHE HA A 38 VAL H 1.0 1.8 5.0 727 535 A 34 PHE HD% A 38 VAL H 1.0 1.8 7.0 728 536 A 35 LYS H A 38 VAL H 1.0 1.8 5.0 729 537 A 35 LYS H A 39 LEU HA 1.0 1.8 5.0 730 538 A 38 VAL H A 36 ASN HBy 1.0 0.9 5.7 731 538 A 36 ASN HBx A 38 VAL H 1.0 0.9 5.7 732 539 A 45 ASN HBy A 48 ALA HB% 1.0 1.8 3.7 733 540 A 45 ASN HBx A 48 ALA HB% 1.0 1.8 3.7 734 541 A 46 GLU HA A 49 ARG H 1.0 1.8 5.0 735 542 A 46 GLU HA A 49 ARG HBx 1.0 1.8 4.0 736 542 A 46 GLU HA A 49 ARG HBy 1.0 1.8 4.0 737 543 A 47 PHE HA A 50 ASN HBx 1.0 1.8 3.3 738 544 A 50 ASN HBy A 47 PHE HA 1.0 1.8 3.3 739 545 A 51 SER H A 48 ALA HA 1.0 1.8 5.0 740 546 A 51 SER HBy A 48 ALA HA 1.0 1.8 5.0 741 547 A 51 SER HBx A 48 ALA HA 1.0 1.8 5.0 742 548 A 49 ARG HA A 52 LEU H 1.0 1.8 5.0 743 549 A 49 ARG HA A 52 LEU HD1% 1.0 1.8 5.4 744 550 A 50 ASN HA A 53 ASN H 1.0 1.8 5.0 745 551 A 54 ASP H A 51 SER HA 1.0 1.8 3.3 746 552 A 53 ASN HA A 56 SER HBx 1.0 1.8 4.0 747 552 A 53 ASN HA A 56 SER HBy 1.0 1.8 4.0 748 553 A 57 GLU HA A 60 HIS H 1.0 1.8 5.0 749 554 A 57 GLU HA A 60 HIS HBx 1.0 1.8 5.7 750 554 A 57 GLU HA A 60 HIS HBy 1.0 1.8 5.7 751 555 A 60 HIS HE1 A 57 GLU HBx 1.0 1.8 4.0 752 555 A 57 GLU HBy A 60 HIS HE1 1.0 1.8 4.0 753 556 A 60 HIS HE1 A 57 GLU HGy 1.0 1.8 5.7 754 556 A 60 HIS HE1 A 57 GLU HGx 1.0 1.8 5.7 755 557 A 58 ILE HA A 61 LEU HBx 1.0 1.8 5.7 756 557 A 58 ILE HA A 61 LEU HBy 1.0 1.8 5.7 757 558 A 58 ILE HA A 61 LEU HG 1.0 1.8 5.0 758 559 A 58 ILE HA A 61 LEU HD1% 1.0 1.8 5.4 759 560 A 62 ALA H A 59 ILE HA 1.0 1.8 5.0 760 561 A 59 ILE HA A 62 ALA HB% 1.0 1.8 3.3 761 562 A 60 HIS HA A 63 GLU H 1.0 1.8 5.0 762 563 A 60 HIS HA A 63 GLU HBx 1.0 1.8 5.7 763 563 A 60 HIS HA A 63 GLU HBy 1.0 1.8 5.7 764 564 A 77 GLU HA A 80 PHE HBx 1.0 1.8 4.0 765 564 A 77 GLU HA A 80 PHE HBy 1.0 1.8 4.0 766 565 A 77 GLU HA A 80 PHE HD% 1.0 1.8 7.0 767 566 A 79 ASP HA A 82 PHE HBy 1.0 1.8 3.3 768 567 A 82 PHE HBx A 79 ASP HA 1.0 1.8 3.3 769 568 A 83 ASN H A 80 PHE HA 1.0 1.8 5.0 770 569 A 80 PHE HD% A 84 LEU HDx% 1.0 1.8 7.4 771 570 A 84 LEU HDy% A 80 PHE HD% 1.0 1.8 7.4 772 571 A 80 PHE HE% A 84 LEU HDx% 1.0 1.8 7.4 773 572 A 84 LEU HDy% A 80 PHE HE% 1.0 1.8 7.4 774 573 A 80 PHE HZ A 84 LEU HDx% 1.0 1.8 5.4 775 574 A 84 LEU HDy% A 80 PHE HZ 1.0 1.8 5.4 776 575 A 81 PHE HA A 84 LEU HBx 1.0 1.8 5.0 777 576 A 81 PHE HA A 84 LEU HBy 1.0 1.8 5.0 778 577 A 81 PHE HD% A 84 LEU HDx% 1.0 1.8 7.4 779 577 A 81 PHE HD% A 84 LEU HDy% 1.0 1.8 7.4 780 578 A 81 PHE HE% A 84 LEU HG 1.0 1.8 5.0 781 579 A 81 PHE HE% A 84 LEU HDx% 1.0 1.8 7.4 782 579 A 84 LEU HDy% A 81 PHE HE% 1.0 1.8 7.4 783 580 A 86 LYS HBx A 83 ASN HA 1.0 1.8 5.0 784 581 A 83 ASN HA A 86 LYS HBy 1.0 1.8 5.0 785 582 A 87 LEU H A 84 LEU HA 1.0 1.8 5.0 786 583 A 84 LEU HA A 87 LEU HBx 1.0 1.8 5.7 787 583 A 84 LEU HA A 87 LEU HBy 1.0 1.8 5.7 788 584 A 10 LEU HD1% A 62 ALA HA 1.0 1.8 3.7 789 585 A 61 LEU HD1% A 62 ALA HA 1.0 1.8 5.4 790 586 A 15 TYR HD% A 52 LEU HD2% 1.0 1.8 7.4 791 587 A 15 TYR HE% A 52 LEU HD2% 1.0 1.8 5.7 792 588 A 58 ILE HD1% A 15 TYR HE% 1.0 1.8 7.4 793 589 A 48 ALA HA A 21 PHE HEy 1.0 1.8 3.3 794 590 A 48 ALA HB% A 21 PHE HEy 1.0 1.8 3.7 795 591 A 48 ALA HA A 21 PHE HZ 1.0 1.8 3.3 796 592 A 48 ALA HB% A 21 PHE HZ 1.0 1.8 3.7 797 593 A 52 LEU HD1% A 21 PHE HEx 1.0 1.8 3.7 798 594 A 52 LEU HD2% A 21 PHE HEx 1.0 1.8 3.7 799 595 A 52 LEU HD1% A 21 PHE HZ 1.0 1.8 5.4 800 596 A 52 LEU HD2% A 21 PHE HZ 1.0 1.8 5.4 801 597 A 52 LEU HG A 21 PHE HEx 1.0 1.8 5.0 802 598 A 29 ILE HD1% A 43 LEU HD1% 1.0 1.8 5.8 803 599 A 34 PHE HBx A 66 TYR HEx 1.0 1.8 5.0 804 600 A 66 TYR HEx A 34 PHE HBy 1.0 1.8 5.0 805 601 A 39 LEU HD2% A 69 ILE HD1% 1.0 1.8 4.1 806 602 A 66 TYR HEx A 3 GLN HGy 1.0 1.8 7.7 807 602 A 66 TYR HEy A 3 GLN HGy 1.0 1.8 7.7 808 602 A 3 GLN HGx A 66 TYR HEy 1.0 1.8 7.7 809 602 A 66 TYR HEx A 3 GLN HGx 1.0 1.8 7.7 810 603 A 39 LEU HD2% A 66 TYR HEy 1.0 1.8 5.7 811 603 A 39 LEU HD2% A 66 TYR HEx 1.0 1.8 5.7 812 604 A 39 LEU HD1% A 66 TYR HEx 1.0 1.8 5.7 813 604 A 39 LEU HD1% A 66 TYR HEy 1.0 1.8 5.7 814 605 A 34 PHE HD% A 39 LEU HBy 1.0 1.8 7.0 815 606 A 34 PHE HD% A 39 LEU HBx 1.0 1.8 7.0 816 607 A 34 PHE HD% A 39 LEU HD2% 1.0 1.8 5.0 817 608 A 39 LEU HD2% A 62 ALA HB% 1.0 1.8 5.8 818 609 A 62 ALA HB% A 69 ILE HG1x 1.0 1.8 4.1 819 609 A 69 ILE HG1y A 62 ALA HB% 1.0 1.8 4.1 820 610 A 69 ILE HG2% A 62 ALA HB% 1.0 1.8 5.8 821 611 A 58 ILE HG2% A 72 VAL HG2% 1.0 1.8 4.1 822 611 A 58 ILE HG2% A 72 VAL HG1% 1.0 1.8 4.1 823 612 A 58 ILE HG2% A 72 VAL HB 1.0 1.8 5.4 824 613 A 43 LEU HD1% A 74 PHE HD% 1.0 1.8 7.4 825 614 A 43 LEU HD2% A 74 PHE HD% 1.0 1.8 5.7 826 615 A 3 GLN HA A 65 LEU HD1% 1.0 1.8 5.4 827 616 A 3 GLN HA A 65 LEU HD2% 1.0 1.8 5.4 828 617 A 66 TYR HEx A 3 GLN HGx 1.0 1.8 5.3 829 617 A 3 GLN HGx A 66 TYR HEy 1.0 1.8 5.3 830 618 A 66 TYR HEx A 3 GLN HGy 1.0 1.8 5.3 831 618 A 66 TYR HEy A 3 GLN HGy 1.0 1.8 5.3 832 619 A 6 ALA HB% A 65 LEU HBx 1.0 1.8 6.1 833 619 A 6 ALA HB% A 65 LEU HBy 1.0 1.8 6.1 834 620 A 6 ALA HB% A 65 LEU HD1% 1.0 1.8 5.8 835 621 A 6 ALA HB% A 65 LEU HD2% 1.0 1.8 5.8 836 622 A 7 PHE H A 65 LEU HG 1.0 1.8 5.0 837 623 A 7 PHE H A 65 LEU HD1% 1.0 1.8 5.4 838 624 A 65 LEU HD2% A 7 PHE HBy 1.0 1.8 5.4 839 625 A 66 TYR HEy A 7 PHE HBy 1.0 1.8 3.3 840 626 A 7 PHE HBx A 65 LEU HD2% 1.0 1.8 5.4 841 627 A 7 PHE HBx A 66 TYR HEy 1.0 1.8 3.3 842 628 A 7 PHE HD% A 39 LEU HD2% 1.0 1.8 7.4 843 629 A 7 PHE HD% A 62 ALA HA 1.0 1.8 7.0 844 630 A 7 PHE HD% A 62 ALA HB% 1.0 1.8 7.0 845 631 A 10 LEU HD1% A 61 LEU HA 1.0 1.8 3.7 846 632 A 10 LEU HD1% A 61 LEU HBx 1.0 1.8 4.4 847 632 A 10 LEU HD1% A 61 LEU HBy 1.0 1.8 4.4 848 633 A 11 LEU HDx% A 58 ILE HG2% 1.0 1.8 5.8 849 634 A 11 LEU HDy% A 58 ILE HD1% 1.0 1.8 4.1 850 635 A 11 LEU HDy% A 58 ILE HG2% 1.0 1.8 4.1 851 636 A 61 LEU HD1% A 14 HIS HBx 1.0 1.8 6.1 852 636 A 14 HIS HBy A 61 LEU HD1% 1.0 1.8 6.1 853 637 A 45 ASN HBx A 25 TYR HEy 1.0 1.8 5.0 854 638 A 45 ASN HBy A 25 TYR HEy 1.0 1.8 5.0 855 639 A 25 TYR HBy A 48 ALA HB% 1.0 1.8 5.4 856 640 A 25 TYR HBx A 48 ALA HB% 1.0 1.8 5.4 857 641 A 25 TYR HEx A 48 ALA HA 1.0 1.8 7.0 858 641 A 48 ALA HA A 25 TYR HEy 1.0 1.8 7.0 859 642 A 48 ALA HB% A 25 TYR HEx 1.0 1.8 5.7 860 642 A 48 ALA HB% A 25 TYR HEy 1.0 1.8 5.7 861 643 A 48 ALA HB% A 25 TYR HDx 1.0 1.8 5.7 862 643 A 48 ALA HB% A 25 TYR HDy 1.0 1.8 5.7 863 644 A 26 ILE HD1% A 21 PHE HEx 1.0 1.8 5.7 864 644 A 26 ILE HD1% A 21 PHE HEy 1.0 1.8 5.7 865 645 A 21 PHE HD% A 26 ILE HD1% 1.0 1.8 5.7 866 646 A 26 ILE HG1y A 52 LEU HD1% 1.0 1.8 5.4 867 647 A 52 LEU HD1% A 26 ILE HG1x 1.0 1.8 5.4 868 648 A 26 ILE HD1% A 52 LEU HD1% 1.0 1.8 4.1 869 649 A 42 LEU HBy A 31 ARG HBy 1.0 1.8 5.0 870 650 A 31 ARG HBy A 42 LEU HBx 1.0 1.8 5.0 871 651 A 42 LEU HBy A 31 ARG HBx 1.0 1.8 5.0 872 652 A 31 ARG HBx A 42 LEU HBx 1.0 1.8 5.0 873 653 A 31 ARG HBx A 42 LEU HBx 1.0 1.8 5.0 874 653 A 31 ARG HBy A 42 LEU HBx 1.0 1.8 5.0 875 653 A 42 LEU HBy A 31 ARG HBy 1.0 1.8 5.0 876 653 A 42 LEU HBy A 31 ARG HBx 1.0 1.8 5.0 877 654 A 31 ARG HGx A 42 LEU HBx 1.0 1.8 4.7 878 654 A 42 LEU HBy A 31 ARG HGx 1.0 1.8 4.7 879 654 A 31 ARG HGy A 42 LEU HBy 1.0 1.8 4.7 880 654 A 31 ARG HGy A 42 LEU HBx 1.0 1.8 4.7 881 655 A 42 LEU HD2% A 31 ARG HGx 1.0 1.8 4.4 882 655 A 31 ARG HGy A 42 LEU HD2% 1.0 1.8 4.4 883 656 A 42 LEU HD2% A 31 ARG HDx 1.0 1.8 6.1 884 656 A 31 ARG HDy A 42 LEU HD2% 1.0 1.8 6.1 885 657 A 40 LEU H A 32 PHE HA 1.0 1.8 5.0 886 658 A 41 ILE HA A 32 PHE HA 1.0 1.8 2.5 887 659 A 42 LEU H A 32 PHE HA 1.0 1.8 5.0 888 660 A 41 ILE HG1y A 32 PHE HBy 1.0 1.8 5.0 889 661 A 32 PHE HBy A 41 ILE HG1x 1.0 1.8 5.0 890 662 A 41 ILE HG1y A 32 PHE HBx 1.0 1.8 5.0 891 663 A 32 PHE HBx A 41 ILE HG1x 1.0 1.8 5.0 892 664 A 41 ILE HA A 32 PHE HBy 1.0 1.8 5.0 893 664 A 41 ILE HA A 32 PHE HBx 1.0 1.8 5.0 894 665 A 32 PHE HBx A 41 ILE HG1x 1.0 1.8 6.1 895 665 A 32 PHE HBy A 41 ILE HG1x 1.0 1.8 6.1 896 665 A 41 ILE HG1y A 32 PHE HBy 1.0 1.8 6.1 897 665 A 41 ILE HG1y A 32 PHE HBx 1.0 1.8 6.1 898 666 A 32 PHE HBx A 41 ILE HD1% 1.0 1.8 4.4 899 666 A 41 ILE HD1% A 32 PHE HBy 1.0 1.8 4.4 900 667 A 32 PHE HD% A 41 ILE HD1% 1.0 1.8 6.8 901 668 A 40 LEU H A 33 VAL H 1.0 1.8 3.3 902 669 A 33 VAL H A 40 LEU HBx 1.0 1.8 5.7 903 669 A 40 LEU HBy A 33 VAL H 1.0 1.8 5.7 904 670 A 41 ILE HA A 33 VAL H 1.0 1.8 5.0 905 671 A 33 VAL H A 41 ILE HG1x 1.0 1.8 5.4 906 671 A 41 ILE HG1y A 33 VAL H 1.0 1.8 5.4 907 672 A 34 PHE HA A 39 LEU HA 1.0 1.8 3.3 908 673 A 34 PHE HA A 39 LEU HD1% 1.0 1.8 5.4 909 674 A 34 PHE HA A 40 LEU H 1.0 1.8 5.0 910 675 A 39 LEU HD1% A 34 PHE HBy 1.0 1.8 4.4 911 675 A 34 PHE HBx A 39 LEU HD1% 1.0 1.8 4.4 912 676 A 34 PHE HD% A 39 LEU HA 1.0 1.8 7.0 913 677 A 38 VAL HA A 71 SER HBx 1.0 1.8 5.7 914 677 A 38 VAL HA A 71 SER HBy 1.0 1.8 5.7 915 678 A 38 VAL HG1% A 71 SER H 1.0 1.8 5.4 916 679 A 38 VAL HG1% A 71 SER HBx 1.0 1.8 6.1 917 679 A 38 VAL HG1% A 71 SER HBy 1.0 1.8 6.1 918 680 A 38 VAL HG2% A 71 SER H 1.0 1.8 5.4 919 681 A 38 VAL HG2% A 71 SER HBx 1.0 1.8 6.1 920 681 A 38 VAL HG2% A 71 SER HBy 1.0 1.8 6.1 921 682 A 39 LEU H A 72 VAL HA 1.0 1.8 5.0 922 683 A 39 LEU H A 73 ASN H 1.0 1.8 5.0 923 684 A 72 VAL HA A 39 LEU HBx 1.0 1.8 4.0 924 684 A 39 LEU HBy A 72 VAL HA 1.0 1.8 4.0 925 685 A 39 LEU HD2% A 72 VAL HG1% 1.0 1.8 5.8 926 686 A 39 LEU HD2% A 72 VAL HG2% 1.0 1.8 5.8 927 687 A 74 PHE HA A 40 LEU HA 1.0 1.8 5.0 928 688 A 80 PHE HA A 40 LEU HD1% 1.0 1.8 3.7 929 689 A 80 PHE HD% A 40 LEU HD1% 1.0 1.8 7.4 930 690 A 40 LEU HD1% A 83 ASN HBy 1.0 1.8 3.3 931 691 A 40 LEU HD1% A 83 ASN HBx 1.0 1.8 3.3 932 692 A 40 LEU HD2% A 80 PHE HA 1.0 1.8 3.3 933 693 A 40 LEU HD2% A 80 PHE HD% 1.0 1.8 7.4 934 694 A 40 LEU HD2% A 83 ASN HBy 1.0 1.8 6.1 935 694 A 40 LEU HD2% A 83 ASN HBx 1.0 1.8 6.1 936 695 A 41 ILE H A 74 PHE HA 1.0 1.8 3.3 937 696 A 41 ILE H A 75 VAL H 1.0 1.8 5.0 938 697 A 41 ILE H A 75 VAL HG2% 1.0 1.8 5.4 939 698 A 41 ILE HA A 80 PHE HE% 1.0 1.8 7.0 940 699 A 41 ILE HB A 74 PHE HA 1.0 1.8 5.0 941 700 A 41 ILE HG2% A 74 PHE HD% 1.0 1.8 5.7 942 701 A 41 ILE HB A 75 VAL H 1.0 1.8 5.0 943 702 A 42 LEU HD1% A 76 ASN HA 1.0 1.8 5.0 944 703 A 42 LEU HD1% A 77 GLU HA 1.0 1.8 2.9 945 704 A 42 LEU HD2% A 80 PHE HD% 1.0 1.8 7.4 946 705 A 43 LEU H A 74 PHE HA 1.0 1.8 5.0 947 706 A 43 LEU H A 75 VAL H 1.0 1.8 3.3 948 707 A 43 LEU H A 76 ASN HA 1.0 1.8 5.0 949 708 A 43 LEU HBx A 74 PHE HD% 1.0 1.8 7.0 950 709 A 74 PHE HD% A 43 LEU HBy 1.0 1.8 7.0 951 710 A 43 LEU HD2% A 49 ARG HA 1.0 1.8 4.0 952 711 A 43 LEU HG A 49 ARG HDx 1.0 1.8 4.0 953 711 A 43 LEU HG A 49 ARG HDy 1.0 1.8 4.0 954 712 A 43 LEU HD1% A 48 ALA HB% 1.0 1.8 4.1 955 713 A 43 LEU HD1% A 52 LEU HD1% 1.0 1.8 4.1 956 714 A 43 LEU HD2% A 74 PHE HBy 1.0 1.8 6.1 957 714 A 43 LEU HD2% A 74 PHE HBx 1.0 1.8 6.1 958 715 A 43 LEU HD2% A 48 ALA HB% 1.0 1.8 4.1 959 716 A 43 LEU HD2% A 49 ARG H 1.0 1.8 5.4 960 717 A 43 LEU HD2% A 49 ARG HGx 1.0 1.8 3.7 961 717 A 43 LEU HD2% A 49 ARG HGy 1.0 1.8 3.7 962 718 A 43 LEU HD2% A 49 ARG HBx 1.0 1.8 3.7 963 718 A 43 LEU HD2% A 49 ARG HBy 1.0 1.8 3.7 964 719 A 43 LEU HD2% A 52 LEU HD1% 1.0 1.8 4.1 965 720 A 44 GLU HA A 76 ASN HA 1.0 1.8 3.3 966 721 A 44 GLU HA A 76 ASN HBy 1.0 1.8 5.0 967 722 A 44 GLU HA A 76 ASN HBx 1.0 1.8 5.0 968 723 A 44 GLU HA A 76 ASN HBy 1.0 1.8 5.7 969 723 A 44 GLU HA A 76 ASN HBx 1.0 1.8 5.7 970 724 A 44 GLU HA A 77 GLU H 1.0 1.8 5.0 971 725 A 52 LEU HBx A 74 PHE HD% 1.0 1.8 7.0 972 726 A 74 PHE HD% A 52 LEU HBy 1.0 1.8 7.0 973 727 A 52 LEU HD1% A 74 PHE HD% 1.0 1.8 5.7 974 728 A 59 ILE HB A 72 VAL HG2% 1.0 1.8 3.7 975 729 A 59 ILE HG2% A 72 VAL H 1.0 1.8 5.4 976 730 A 59 ILE HD1% A 70 LYS HA 1.0 1.8 5.4 977 731 A 59 ILE HD1% A 70 LYS HBy 1.0 1.8 6.1 978 731 A 59 ILE HD1% A 70 LYS HBx 1.0 1.8 6.1 979 732 A 59 ILE HD1% A 71 SER H 1.0 1.8 5.4 980 733 A 59 ILE HD1% A 71 SER HA 1.0 1.8 3.7 981 734 A 59 ILE HG2% A 71 SER HA 1.0 1.8 5.4 982 735 A 75 VAL HG1% A 80 PHE H 1.0 1.8 5.4 983 736 A 75 VAL HG2% A 80 PHE H 1.0 1.8 5.4 984 737 A 75 VAL HG2% A 80 PHE HA 1.0 1.8 3.7 985 738 A 75 VAL HG2% A 80 PHE HBx 1.0 1.8 4.4 986 738 A 75 VAL HG2% A 80 PHE HBy 1.0 1.8 4.4 987 739 A 75 VAL HG2% A 80 PHE HD% 1.0 1.8 5.7 988 740 A 80 PHE HD% A 42 LEU HBx 1.0 1.8 7.7 989 740 A 42 LEU HBy A 80 PHE HD% 1.0 1.8 7.7 990 741 A 42 LEU HD1% A 80 PHE HD% 1.0 1.8 5.7 991 742 A 42 LEU HD2% A 80 PHE HD% 1.0 1.8 5.7 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 2 GLU O A 6 ALA N 1.0 1.8 3.3 2 2 A 6 ALA H A 2 GLU O 1.0 1.8 2.3 3 3 A 3 GLN O A 7 PHE N 1.0 1.8 3.3 4 4 A 7 PHE H A 3 GLN O 1.0 1.8 2.3 5 5 A 4 PHE O A 8 LYS N 1.0 1.8 3.3 6 6 A 8 LYS H A 4 PHE O 1.0 1.8 2.3 7 7 A 5 ASN O A 9 SER N 1.0 1.8 3.3 8 8 A 9 SER H A 5 ASN O 1.0 1.8 2.3 9 9 A 6 ALA O A 10 LEU N 1.0 1.8 3.3 10 10 A 10 LEU H A 6 ALA O 1.0 1.8 2.3 11 11 A 11 LEU O A 15 TYR N 1.0 1.8 3.3 12 12 A 15 TYR H A 11 LEU O 1.0 1.8 2.3 13 13 A 19 ILE O A 23 ASP N 1.0 1.8 3.3 14 14 A 23 ASP H A 19 ILE O 1.0 1.8 2.3 15 15 A 45 ASN O A 49 ARG N 1.0 1.8 3.3 16 16 A 49 ARG H A 45 ASN O 1.0 1.8 2.3 17 17 A 46 GLU O A 50 ASN N 1.0 1.8 3.3 18 18 A 50 ASN H A 46 GLU O 1.0 1.8 2.3 19 19 A 47 PHE O A 51 SER N 1.0 1.8 3.3 20 20 A 51 SER H A 47 PHE O 1.0 1.8 2.3 21 21 A 48 ALA O A 52 LEU N 1.0 1.8 3.3 22 22 A 52 LEU H A 48 ALA O 1.0 1.8 2.3 23 23 A 49 ARG O A 53 ASN N 1.0 1.8 3.3 24 24 A 53 ASN H A 49 ARG O 1.0 1.8 2.3 25 25 A 51 SER O A 55 ASN N 1.0 1.8 3.3 26 26 A 55 ASN H A 51 SER O 1.0 1.8 2.3 27 27 A 58 ILE O A 62 ALA N 1.0 1.8 3.3 28 28 A 62 ALA H A 58 ILE O 1.0 1.8 2.3 29 29 A 76 ASN O A 80 PHE N 1.0 1.8 3.3 30 30 A 80 PHE H A 76 ASN O 1.0 0.8 2.3 31 31 A 77 GLU O A 81 PHE N 1.0 1.8 3.3 32 32 A 81 PHE H A 77 GLU O 1.0 1.8 2.3 33 33 A 78 GLN O A 82 PHE N 1.0 1.8 3.3 34 34 A 82 PHE H A 78 GLN O 1.0 1.8 2.3 35 35 A 79 ASP O A 83 ASN N 1.0 1.8 3.3 36 36 A 83 ASN H A 79 ASP O 1.0 1.8 2.3 37 37 A 31 ARG O A 42 LEU N 1.0 1.8 3.3 38 38 A 42 LEU H A 31 ARG O 1.0 1.8 2.3 39 39 A 33 VAL N A 40 LEU O 1.0 1.8 3.3 40 40 A 33 VAL H A 40 LEU O 1.0 1.8 2.3 41 41 A 33 VAL O A 40 LEU N 1.0 1.8 3.3 42 42 A 40 LEU H A 33 VAL O 1.0 1.8 2.3 43 43 A 39 LEU O A 73 ASN N 1.0 1.8 3.3 44 44 A 73 ASN H A 39 LEU O 1.0 1.8 2.3 45 45 A 41 ILE N A 73 ASN O 1.0 1.8 3.3 46 46 A 41 ILE H A 73 ASN O 1.0 1.8 2.3 47 47 A 41 ILE O A 75 VAL N 1.0 1.8 3.3 48 48 A 75 VAL H A 41 ILE O 1.0 1.8 2.3 49 49 A 43 LEU N A 75 VAL O 1.0 1.8 3.3 50 50 A 43 LEU H A 75 VAL O 1.0 1.8 2.3 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 1 MET C A 2 GLU N A 2 GLU CA A 2 GLU C 1.0 -90.0 -30.0 PHI 2 2 A 4 PHE C A 5 ASN N A 5 ASN CA A 5 ASN C 1.0 -90.0 -30.0 PHI 3 3 A 5 ASN C A 6 ALA N A 6 ALA CA A 6 ALA C 1.0 -90.0 -30.0 PHI 4 4 A 6 ALA C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -90.0 -30.0 PHI 5 5 A 7 PHE C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -90.0 -30.0 PHI 6 6 A 11 LEU C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -90.0 -30.0 PHI 7 7 A 13 LYS C A 14 HIS N A 14 HIS CA A 14 HIS C 1.0 -90.0 -30.0 PHI 8 8 A 15 TYR C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -90.0 -30.0 PHI 9 9 A 18 THR C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -90.0 -30.0 PHI 10 10 A 20 GLY C A 21 PHE N A 21 PHE CA A 21 PHE C 1.0 -90.0 -30.0 PHI 11 11 A 22 HIS C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -90.0 -30.0 PHI 12 12 A 29 ILE C A 30 ASN N A 30 ASN CA A 30 ASN C 1.0 -220.0 -120.0 PHI 13 13 A 30 ASN C A 31 ARG N A 31 ARG CA A 31 ARG C 1.0 -220.0 -120.0 PHI 14 14 A 31 ARG C A 32 PHE N A 32 PHE CA A 32 PHE C 1.0 -220.0 -120.0 PHI 15 15 A 32 PHE C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -220.0 -120.0 PHI 16 16 A 33 VAL C A 34 PHE N A 34 PHE CA A 34 PHE C 1.0 -220.0 -120.0 PHI 17 17 A 34 PHE C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -220.0 -120.0 PHI 18 18 A 35 LYS C A 36 ASN N A 36 ASN CA A 36 ASN C 1.0 -220.0 -120.0 PHI 19 19 A 37 ASN C A 38 VAL N A 38 VAL CA A 38 VAL C 1.0 -220.0 -120.0 PHI 20 20 A 38 VAL C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -220.0 -120.0 PHI 21 21 A 39 LEU C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -220.0 -120.0 PHI 22 22 A 40 LEU C A 41 ILE N A 41 ILE CA A 41 ILE C 1.0 -220.0 -120.0 PHI 23 23 A 43 LEU C A 44 GLU N A 44 GLU CA A 44 GLU C 1.0 -90.0 -30.0 PHI 24 24 A 44 GLU C A 45 ASN N A 45 ASN CA A 45 ASN C 1.0 -90.0 -30.0 PHI 25 25 A 47 PHE C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -90.0 -30.0 PHI 26 26 A 48 ALA C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -90.0 -30.0 PHI 27 27 A 50 ASN C A 51 SER N A 51 SER CA A 51 SER C 1.0 -90.0 -30.0 PHI 28 28 A 51 SER C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -90.0 -30.0 PHI 29 29 A 54 ASP C A 55 ASN N A 55 ASN CA A 55 ASN C 1.0 -200.0 -140.0 PHI 30 30 A 57 GLU C A 58 ILE N A 58 ILE CA A 58 ILE C 1.0 -90.0 -30.0 PHI 31 31 A 58 ILE C A 59 ILE N A 59 ILE CA A 59 ILE C 1.0 -90.0 -30.0 PHI 32 32 A 61 LEU C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -90.0 -30.0 PHI 33 33 A 62 ALA C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -90.0 -30.0 PHI 34 34 A 65 LEU C A 66 TYR N A 66 TYR CA A 66 TYR C 1.0 -220.0 -120.0 PHI 35 35 A 66 TYR C A 67 GLU N A 67 GLU CA A 67 GLU C 1.0 -90.0 -30.0 PHI 36 36 A 68 GLY C A 69 ILE N A 69 ILE CA A 69 ILE C 1.0 -90.0 -30.0 PHI 37 37 A 71 SER C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -220.0 -120.0 PHI 38 38 A 72 VAL C A 73 ASN N A 73 ASN CA A 73 ASN C 1.0 -220.0 -120.0 PHI 39 39 A 74 PHE C A 75 VAL N A 75 VAL CA A 75 VAL C 1.0 -220.0 -120.0 PHI 40 40 A 77 GLU C A 78 GLN N A 78 GLN CA A 78 GLN C 1.0 -90.0 -30.0 PHI 41 41 A 78 GLN C A 79 ASP N A 79 ASP CA A 79 ASP C 1.0 -90.0 -30.0 PHI 42 42 A 79 ASP C A 80 PHE N A 80 PHE CA A 80 PHE C 1.0 -90.0 -30.0 PHI 43 43 A 83 ASN C A 84 LEU N A 84 LEU CA A 84 LEU C 1.0 -90.0 -30.0 PHI 44 44 A 90 ASN C A 91 SER N A 91 SER CA A 91 SER C 1.0 -220.0 -120.0 PHI 45 45 A 96 TYR C A 97 GLN N A 97 GLN CA A 97 GLN C 1.0 -220.0 -120.0 PHI 46 46 A 98 ASN C A 99 SER N A 99 SER CA A 99 SER C 1.0 -220.0 -120.0 PHI stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 3 GLN CA A 3 GLN HA 1.0 . . . 2 2 A 4 PHE CA A 4 PHE HA 1.0 . . . 3 3 A 8 LYS CA A 8 LYS HA 1.0 . . . 4 4 A 9 SER CA A 9 SER HA 1.0 . . . 5 5 A 11 LEU CA A 11 LEU HA 1.0 . . . 6 6 A 12 LYS CA A 12 LYS HA 1.0 . . . 7 7 A 13 LYS CA A 13 LYS HA 1.0 . . . 8 8 A 14 HIS CA A 14 HIS HA 1.0 . . . 9 9 A 22 HIS CA A 22 HIS HA 1.0 . . . 10 10 A 23 ASP CA A 23 ASP HA 1.0 . . . 11 11 A 24 LYS CA A 24 LYS HA 1.0 . . . 12 12 A 25 TYR CA A 25 TYR HA 1.0 . . . 13 13 A 27 LYS CA A 27 LYS HA 1.0 . . . 14 14 A 31 ARG CA A 31 ARG HA 1.0 . . . 15 15 A 32 PHE CA A 32 PHE HA 1.0 . . . 16 16 A 33 VAL CA A 33 VAL HA 1.0 . . . 17 17 A 40 LEU CA A 40 LEU HA 1.0 . . . 18 18 A 48 ALA CA A 48 ALA HA 1.0 . . . 19 19 A 50 ASN CA A 50 ASN HA 1.0 . . . 20 20 A 51 SER CA A 51 SER HA 1.0 . . . 21 21 A 52 LEU CA A 52 LEU HA 1.0 . . . 22 22 A 53 ASN CA A 53 ASN HA 1.0 . . . 23 23 A 54 ASP CA A 54 ASP HA 1.0 . . . 24 24 A 58 ILE CA A 58 ILE HA 1.0 . . . 25 25 A 60 HIS CA A 60 HIS HA 1.0 . . . 26 26 A 62 ALA CA A 62 ALA HA 1.0 . . . 27 27 A 63 GLU CA A 63 GLU HA 1.0 . . . 28 28 A 64 SER CA A 64 SER HA 1.0 . . . 29 29 A 70 LYS CA A 70 LYS HA 1.0 . . . 30 30 A 72 VAL CA A 72 VAL HA 1.0 . . . 31 31 A 73 ASN CA A 73 ASN HA 1.0 . . . 32 32 A 78 GLN CA A 78 GLN HA 1.0 . . . 33 33 A 81 PHE CA A 81 PHE HA 1.0 . . . 34 34 A 84 LEU CA A 84 LEU HA 1.0 . . . 35 35 A 85 ALA CA A 85 ALA HA 1.0 . . . stop_ save_ save_CNS/XPLOR_dipolar_coupling_6 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_6 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 3 GLN N A 3 GLN H 1.0 . . . 2 2 A 5 ASN N A 5 ASN H 1.0 . . . 3 3 A 6 ALA N A 6 ALA H 1.0 . . . 4 4 A 7 PHE N A 7 PHE H 1.0 . . . 5 5 A 8 LYS N A 8 LYS H 1.0 . . . 6 6 A 9 SER N A 9 SER H 1.0 . . . 7 7 A 10 LEU N A 10 LEU H 1.0 . . . 8 8 A 13 LYS N A 13 LYS H 1.0 . . . 9 9 A 14 HIS N A 14 HIS H 1.0 . . . 10 10 A 15 TYR N A 15 TYR H 1.0 . . . 11 11 A 16 GLU N A 16 GLU H 1.0 . . . 12 12 A 20 GLY N A 20 GLY H 1.0 . . . 13 13 A 21 PHE N A 21 PHE H 1.0 . . . 14 14 A 22 HIS N A 22 HIS H 1.0 . . . 15 15 A 23 ASP N A 23 ASP H 1.0 . . . 16 16 A 24 LYS N A 24 LYS H 1.0 . . . 17 17 A 25 TYR N A 25 TYR H 1.0 . . . 18 18 A 31 ARG N A 31 ARG H 1.0 . . . 19 19 A 32 PHE N A 32 PHE H 1.0 . . . 20 20 A 34 PHE N A 34 PHE H 1.0 . . . 21 21 A 35 LYS N A 35 LYS H 1.0 . . . 22 22 A 38 VAL N A 38 VAL H 1.0 . . . 23 23 A 39 LEU N A 39 LEU H 1.0 . . . 24 24 A 40 LEU N A 40 LEU H 1.0 . . . 25 25 A 41 ILE N A 41 ILE H 1.0 . . . 26 26 A 42 LEU N A 42 LEU H 1.0 . . . 27 27 A 48 ALA N A 48 ALA H 1.0 . . . 28 28 A 49 ARG N A 49 ARG H 1.0 . . . 29 29 A 50 ASN N A 50 ASN H 1.0 . . . 30 30 A 52 LEU N A 52 LEU H 1.0 . . . 31 31 A 54 ASP N A 54 ASP H 1.0 . . . 32 32 A 55 ASN N A 55 ASN H 1.0 . . . 33 33 A 57 GLU N A 57 GLU H 1.0 . . . 34 34 A 58 ILE N A 58 ILE H 1.0 . . . 35 35 A 61 LEU N A 61 LEU H 1.0 . . . 36 36 A 62 ALA N A 62 ALA H 1.0 . . . 37 37 A 63 GLU N A 63 GLU H 1.0 . . . 38 38 A 65 LEU N A 65 LEU H 1.0 . . . 39 39 A 66 TYR N A 66 TYR H 1.0 . . . 40 40 A 70 LYS N A 70 LYS H 1.0 . . . 41 41 A 71 SER N A 71 SER H 1.0 . . . 42 42 A 72 VAL N A 72 VAL H 1.0 . . . 43 43 A 73 ASN N A 73 ASN H 1.0 . . . 44 44 A 77 GLU N A 77 GLU H 1.0 . . . 45 45 A 78 GLN N A 78 GLN H 1.0 . . . 46 46 A 79 ASP N A 79 ASP H 1.0 . . . 47 47 A 80 PHE N A 80 PHE H 1.0 . . . 48 48 A 81 PHE N A 81 PHE H 1.0 . . . 49 49 A 82 PHE N A 82 PHE H 1.0 . . . 50 50 A 83 ASN N A 83 ASN H 1.0 . . . 51 51 A 84 LEU N A 84 LEU H 1.0 . . . 52 52 A 85 ALA N A 85 ALA H 1.0 . . . 53 53 A 86 LYS N A 86 LYS H 1.0 . . . stop_ save_