data_nef_c17993_2lq4 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 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 p 1 MET start . . 2 p 2 GLN middle . . 3 p 3 ALA middle . . 4 p 4 LEU middle . . 5 p 5 GLU middle . . 6 p 6 LYS middle . . 7 p 7 GLU middle . . 8 p 8 LEU middle . . 9 p 9 ALA middle . . 10 p 10 GLN middle . . 11 p 11 ASN middle . . 12 p 12 GLU middle . . 13 p 13 TRP middle . . 14 p 14 GLU middle . . 15 p 15 LEU middle . . 16 p 16 GLN middle . . 17 p 17 ALA middle . . 18 p 18 LEU middle . . 19 p 19 GLU middle . . 20 p 20 LYS middle . . 21 p 21 GLU middle . . 22 p 22 LEU middle . . 23 p 23 ALA middle . . 24 p 24 GLN middle . . 25 p 25 LEU middle . . 26 p 26 GLU middle . . 27 p 27 LYS middle . . 28 p 28 GLU middle . . 29 p 29 LEU middle . . 30 p 30 GLN middle . . 31 p 31 ALA middle . . 32 p 32 TRP middle . . 33 p 33 ASN middle . . 34 p 34 CYS middle . . 35 p 35 ILE middle . . 36 p 36 CYS middle . . 37 p 37 ASP middle . . 38 p 38 ILE middle . . 39 p 39 GLU middle . . 40 p 40 ASN middle . . 41 p 41 CYS middle . . 42 p 42 SER middle . . 43 p 43 ASN middle . . 44 p 44 MET middle . . 45 p 45 ALA middle . . 46 p 46 PRO middle . false 47 p 47 LEU middle . . 48 p 48 TYR middle . . 49 p 49 SER middle . . 50 p 50 ASP middle . . 51 p 51 GLN middle . . 52 p 52 ALA middle . . 53 p 53 LEU middle . . 54 p 54 LYS middle . . 55 p 55 LYS middle . . 56 p 56 LYS middle . . 57 p 57 LEU middle . . 58 p 58 ALA middle . . 59 p 59 GLN middle . . 60 p 60 LEU middle . . 61 p 61 LYS middle . . 62 p 62 TRP middle . . 63 p 63 LYS middle . . 64 p 64 LEU middle . . 65 p 65 GLN middle . . 66 p 66 ALA middle . . 67 p 67 LEU middle . . 68 p 68 LYS middle . . 69 p 69 LYS middle . . 70 p 70 LYS middle . . 71 p 71 ASN middle . . 72 p 72 ALA middle . . 73 p 73 GLN middle . . 74 p 74 LEU middle . . 75 p 75 LYS middle . . 76 p 76 LYS middle . . 77 p 77 LYS middle . . 78 p 78 LEU middle . . 79 p 79 GLN middle . . 80 p 80 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 p 1 MET HA H 1 4.30 0.05 p 1 MET HBx H 1 1.60 0.05 p 1 MET HE% H 1 2.07 0.05 p 1 MET HGx H 1 2.34 0.05 p 1 MET C C 13 176.14 0.50 p 1 MET CA C 13 56.32 0.50 p 1 MET CB C 13 33.11 0.50 p 1 MET CE C 13 16.96 0.50 p 1 MET CG C 13 32.42 0.50 p 2 GLN H H 1 8.48 0.05 p 2 GLN HA H 1 4.27 0.05 p 2 GLN HBx H 1 2.32 0.05 p 2 GLN HGx H 1 2.32 0.05 p 2 GLN C C 13 174.33 0.50 p 2 GLN CA C 13 55.93 0.50 p 2 GLN CB C 13 29.94 0.50 p 2 GLN CG C 13 33.94 0.50 p 2 GLN N N 15 125.33 0.50 p 3 ALA H H 1 8.05 0.05 p 3 ALA HA H 1 4.08 0.05 p 3 ALA HB% H 1 1.30 0.50 p 3 ALA C C 13 182.46 0.50 p 3 ALA CA C 13 53.93 0.50 p 3 ALA CB C 13 20.13 0.50 p 3 ALA N N 15 131.8 0.50 p 4 LEU H H 1 7.80 0.05 p 4 LEU HA H 1 3.98 0.05 p 4 LEU HBx H 1 1.92 0.05 p 4 LEU HD1% H 1 0.92 0.05 p 4 LEU HD2% H 1 0.98 0.05 p 4 LEU HG H 1 1.52 0.05 p 4 LEU C C 13 179.2 0.50 p 4 LEU CA C 13 59.74 0.50 p 4 LEU CB C 13 41.00 0.50 p 4 LEU CD1 C 13 20.14 0.50 p 4 LEU CD2 C 13 22.41 0.50 p 4 LEU CG C 13 27.28 0.50 p 4 LEU N N 15 121.4 0.50 p 5 GLU H H 1 8.72 0.05 p 5 GLU HA H 1 4.10 0.05 p 5 GLU HBx H 1 1.91 0.05 p 5 GLU HGx H 1 2.50 0.05 p 5 GLU C C 13 179.02 0.50 p 5 GLU CA C 13 60.18 0.50 p 5 GLU CB C 13 29.39 0.50 p 5 GLU CG C 13 37.12 0.50 p 5 GLU N N 15 118.14 0.50 p 6 LYS H H 1 7.87 0.05 p 6 LYS HA H 1 4.17 0.05 p 6 LYS HBx H 1 1.92 0.05 p 6 LYS HD2 H 1 1.38 0.05 p 6 LYS HD3 H 1 1.69 0.05 p 6 LYS HEx H 1 2.81 0.05 p 6 LYS HGx H 1 1.53 0.05 p 6 LYS C C 13 179.65 0.50 p 6 LYS CA C 13 59.59 0.50 p 6 LYS CB C 13 32.32 0.50 p 6 LYS CD C 13 26.88 0.50 p 6 LYS CE C 13 42.03 0.50 p 6 LYS CG C 13 29.43 0.50 p 6 LYS N N 15 122.06 0.50 p 7 GLU H H 1 7.88 0.05 p 7 GLU HA H 1 4.17 0.05 p 7 GLU HB2 H 1 2.02 0.05 p 7 GLU HB3 H 1 2.16 0.05 p 7 GLU HG2 H 1 2.24 0.05 p 7 GLU HG3 H 1 2.40 0.05 p 7 GLU C C 13 179.24 0.50 p 7 GLU CA C 13 60.02 0.50 p 7 GLU CB C 13 26.94 0.50 p 7 GLU CG C 13 32.56 0.50 p 7 GLU N N 15 120.86 0.50 p 8 LEU H H 1 8.52 0.05 p 8 LEU HA H 1 4.15 0.05 p 8 LEU HBx H 1 1.94 0.05 p 8 LEU HD1% H 1 0.87 0.05 p 8 LEU HD2% H 1 0.97 0.05 p 8 LEU HG H 1 1.62 0.05 p 8 LEU C C 13 177.44 0.50 p 8 LEU CA C 13 58.38 0.50 p 8 LEU CB C 13 41.29 0.50 p 8 LEU CD1 C 13 26.75 0.50 p 8 LEU CD2 C 13 26.75 0.50 p 8 LEU CG C 13 27.65 0.50 p 8 LEU N N 15 121.58 0.50 p 9 ALA H H 1 7.97 0.05 p 9 ALA HA H 1 4.05 0.05 p 9 ALA HB% H 1 1.46 0.05 p 9 ALA C C 13 180.92 0.50 p 9 ALA CA C 13 55.40 0.50 p 9 ALA CB C 13 17.85 0.50 p 9 ALA N N 15 121.52 0.50 p 10 GLN H H 1 8.03 0.05 p 10 GLN HA H 1 4.15 0.05 p 10 GLN HB2 H 1 2.16 0.05 p 10 GLN HB3 H 1 2.22 0.05 p 10 GLN HGx H 1 2.49 0.05 p 10 GLN C C 13 177.85 0.50 p 10 GLN CA C 13 58.79 0.50 p 10 GLN CB C 13 28.15 0.50 p 10 GLN CG C 13 33.52 0.50 p 10 GLN N N 15 118.38 0.50 p 11 ASN H H 1 8.15 0.05 p 11 ASN HA H 1 4.50 0.05 p 11 ASN HB2 H 1 2.90 0.05 p 11 ASN HB3 H 1 2.98 0.05 p 11 ASN HD21 H 1 6.82 0.05 p 11 ASN HD22 H 1 7.66 0.05 p 11 ASN C C 13 176.77 0.50 p 11 ASN CA C 13 57.58 0.50 p 11 ASN CB C 13 40.49 0.50 p 11 ASN N N 15 120.48 0.50 p 12 GLU H H 1 8.87 0.05 p 12 GLU HA H 1 4.12 0.05 p 12 GLU HB2 H 1 2.07 0.05 p 12 GLU HB3 H 1 2.22 0.05 p 12 GLU HG2 H 1 2.38 0.05 p 12 GLU HG3 H 1 2.50 0.05 p 12 GLU C C 13 179.65 0.50 p 12 GLU CA C 13 59.90 0.50 p 12 GLU CB C 13 29.00 0.50 p 12 GLU CG C 13 36.78 0.50 p 12 GLU N N 15 118.15 0.50 p 13 TRP H H 1 8.08 0.05 p 13 TRP HA H 1 4.36 0.05 p 13 TRP HB2 H 1 3.42 0.05 p 13 TRP HB3 H 1 3.53 0.05 p 13 TRP C C 13 178.86 0.50 p 13 TRP CA C 13 61.06 0.50 p 13 TRP CB C 13 29.32 0.50 p 13 TRP N N 15 121.55 0.50 p 14 GLU H H 1 8.08 0.05 p 14 GLU HA H 1 4.16 0.05 p 14 GLU HBx H 1 2.15 0.05 p 14 GLU HG2 H 1 2.38 0.05 p 14 GLU HG3 H 1 2.50 0.05 p 14 GLU C C 13 179.46 0.50 p 14 GLU CA C 13 59.43 0.50 p 14 GLU CB C 13 33.84 0.50 p 14 GLU N N 15 121.42 0.50 p 15 LEU H H 1 8.43 0.05 p 15 LEU HA H 1 3.92 0.05 p 15 LEU HB2 H 1 1.76 0.05 p 15 LEU HB3 H 1 1.95 0.05 p 15 LEU HDx% H 1 0.91 0.05 p 15 LEU HG H 1 1.51 0.05 p 15 LEU C C 13 178.70 0.50 p 15 LEU CA C 13 57.74 0.50 p 15 LEU CB C 13 42.06 0.50 p 15 LEU N N 15 120.23 0.50 p 16 GLN H H 1 8.29 0.05 p 16 GLN HA H 1 4.18 0.05 p 16 GLN HB2 H 1 2.08 0.05 p 16 GLN HBx H 1 2.08 0.05 p 16 GLN HBy H 1 2.20 0.05 p 16 GLN HGx H 1 2.34 0.05 p 16 GLN C C 13 177.92 0.50 p 16 GLN CA C 13 59.93 0.50 p 16 GLN CB C 13 29.57 0.50 p 16 GLN CG C 13 33.21 0.50 p 16 GLN N N 15 117.99 0.50 p 17 ALA H H 1 7.87 0.05 p 17 ALA HA H 1 4.24 0.05 p 17 ALA HB% H 1 1.14 0.05 p 17 ALA C C 13 180.89 0.50 p 17 ALA CA C 13 54.97 0.50 p 17 ALA CB C 13 17.52 0.50 p 17 ALA N N 15 120.90 0.50 p 18 LEU H H 1 8.21 0.05 p 18 LEU HA H 1 3.94 0.05 p 18 LEU HB2 H 1 1.84 0.05 p 18 LEU HB3 H 1 1.97 0.05 p 18 LEU HDx% H 1 0.93 0.05 p 18 LEU HG H 1 1.66 0.05 p 18 LEU C C 13 179.10 0.50 p 18 LEU CA C 13 57.64 0.50 p 18 LEU CB C 13 41.83 0.50 p 18 LEU CDx C 13 25.40 0.50 p 18 LEU CG C 13 26.15 0.50 p 18 LEU N N 15 121.52 0.50 p 19 GLU H H 1 8.62 0.05 p 19 GLU HA H 1 4.07 0.05 p 19 GLU HB2 H 1 2.10 0.05 p 19 GLU HB3 H 1 2.16 0.05 p 19 GLU HGx H 1 2.52 0.05 p 19 GLU C C 13 179.92 0.50 p 19 GLU CA C 13 60.44 0.50 p 19 GLU CB C 13 29.33 0.50 p 19 GLU CG C 13 37.41 0.50 p 19 GLU N N 15 119.05 0.50 p 20 LYS H H 1 7.62 0.05 p 20 LYS HA H 1 3.95 0.05 p 20 LYS HB2 H 1 1.65 0.05 p 20 LYS HB3 H 1 1.91 0.05 p 20 LYS HDx H 1 1.49 0.05 p 20 LYS HEx H 1 2.95 0.05 p 20 LYS HGx H 1 1.64 0.05 p 20 LYS C C 13 179.02 0.50 p 20 LYS CA C 13 59.64 0.50 p 20 LYS CB C 13 32.30 0.50 p 20 LYS CD C 13 27.97 0.50 p 20 LYS CE C 13 39.15 0.50 p 20 LYS CG C 13 29.17 0.50 p 20 LYS N N 15 119.75 0.50 p 21 GLU H H 1 7.87 0.05 p 21 GLU HA H 1 4.02 0.05 p 21 GLU HBx H 1 2.17 0.05 p 21 GLU HG2 H 1 2.17 0.05 p 21 GLU HG3 H 1 2.36 0.05 p 21 GLU C C 13 179.35 0.50 p 21 GLU CA C 13 59.70 0.50 p 21 GLU CB C 13 29.76 0.50 p 21 GLU CG C 13 36.37 0.50 p 21 GLU N N 15 122.28 0.50 p 22 LEU H H 1 8.86 0.05 p 22 LEU HA H 1 3.95 0.05 p 22 LEU HBx H 1 1.81 0.05 p 22 LEU HDx% H 1 0.93 0.05 p 22 LEU HG H 1 1.65 0.05 p 22 LEU C C 13 177.87 0.50 p 22 LEU CA C 13 58.53 0.50 p 22 LEU CB C 13 42.02 0.50 p 22 LEU CDx C 13 26.63 0.50 p 22 LEU CG C 13 26.02 0.50 p 22 LEU N N 15 120.89 0.50 p 23 ALA H H 1 7.87 0.05 p 23 ALA HA H 1 4.09 0.05 p 23 ALA HB% H 1 1.51 0.05 p 23 ALA C C 13 181.09 0.50 p 23 ALA CA C 13 55.06 0.50 p 23 ALA CB C 13 17.95 0.50 p 23 ALA N N 15 120.00 0.50 p 24 GLN H H 1 7.75 0.05 p 24 GLN HA H 1 4.22 0.05 p 24 GLN HB2 H 1 2.49 0.05 p 24 GLN HB3 H 1 2.26 0.05 p 24 GLN HGx H 1 2.47 0.05 p 24 GLN C C 13 178.26 0.50 p 24 GLN CA C 13 58.69 0.50 p 24 GLN CB C 13 28.08 0.50 p 24 GLN CG C 13 34.15 0.50 p 24 GLN N N 15 117.93 0.50 p 25 LEU H H 1 8.17 0.05 p 25 LEU HA H 1 4.09 0.05 p 25 LEU HBx H 1 1.42 0.05 p 25 LEU HDx% H 1 0.90 0.05 p 25 LEU HG H 1 1.30 0.05 p 25 LEU C C 13 179.13 0.50 p 25 LEU CA C 13 57.58 0.50 p 25 LEU CB C 13 42.09 0.50 p 25 LEU CDx C 13 23.84 0.50 p 25 LEU CG C 13 25.71 0.50 p 25 LEU N N 15 121.96 0.50 p 26 GLU H H 1 8.61 0.05 p 26 GLU HA H 1 4.39 0.05 p 26 GLU HBx H 1 2.16 0.05 p 26 GLU HG2 H 1 2.39 0.05 p 26 GLU HG3 H 1 2.50 0.05 p 26 GLU C C 13 178.85 0.50 p 26 GLU CA C 13 59.75 0.50 p 26 GLU CB C 13 29.30 0.50 p 26 GLU CG C 13 32.28 0.50 p 27 LYS H H 1 8.08 0.05 p 27 LYS HA H 1 3.58 0.05 p 27 LYS HBx H 1 1.93 0.05 p 27 LYS HDx H 1 1.67 0.05 p 27 LYS HEx H 1 3.00 0.05 p 27 LYS HGx H 1 1.48 0.05 p 27 LYS C C 13 178.87 0.50 p 27 LYS CA C 13 61.06 0.50 p 27 LYS CB C 13 28.59 0.50 p 27 LYS CD C 13 27.21 0.50 p 27 LYS CE C 13 41.98 0.50 p 27 LYS CG C 13 26.15 0.50 p 27 LYS N N 15 121.42 0.50 p 28 GLU H H 1 8.55 0.05 p 28 GLU HA H 1 3.85 0.05 p 28 GLU HBx H 1 2.10 0.05 p 28 GLU HG2 H 1 2.15 0.05 p 28 GLU HG3 H 1 2.34 0.05 p 28 GLU C C 13 179.57 0.50 p 28 GLU CA C 13 59.83 0.50 p 28 GLU CB C 13 29.91 0.50 p 28 GLU CG C 13 36.26 0.50 p 28 GLU N N 15 121.03 0.50 p 29 LEU H H 1 8.74 0.05 p 29 LEU HA H 1 3.93 0.05 p 29 LEU HBx H 1 1.89 0.05 p 29 LEU HD1% H 1 0.93 0.05 p 29 LEU HD2% H 1 0.85 0.05 p 29 LEU HG H 1 1.64 0.05 p 29 LEU C C 13 178.33 0.50 p 29 LEU CA C 13 58.78 0.50 p 29 LEU CB C 13 42.64 0.50 p 29 LEU CD1 C 13 24.29 0.50 p 29 LEU CD2 C 13 25.40 0.50 p 29 LEU CG C 13 26.12 0.50 p 29 LEU N N 15 121.29 0.50 p 30 GLN H H 1 7.85 0.05 p 30 GLN HA H 1 4.04 0.05 p 30 GLN HB2 H 1 2.00 0.05 p 30 GLN HB3 H 1 2.14 0.05 p 30 GLN HG2 H 1 2.35 0.05 p 30 GLN HG3 H 1 2.63 0.05 p 30 GLN C C 13 178.92 0.50 p 30 GLN CA C 13 58.87 0.50 p 30 GLN CB C 13 27.85 0.50 p 30 GLN CG C 13 33.94 0.50 p 30 GLN N N 15 117.42 0.50 p 31 ALA H H 1 7.73 0.05 p 31 ALA HA H 1 3.91 0.05 p 31 ALA HB% H 1 1.14 0.05 p 31 ALA C C 13 180.87 0.50 p 31 ALA CA C 13 55.02 0.50 p 31 ALA CB C 13 17.59 0.50 p 31 ALA N N 15 122.43 0.50 p 32 TRP H H 1 8.22 0.05 p 32 TRP HA H 1 4.18 0.05 p 32 TRP HBx H 1 3.29 0.05 p 32 TRP C C 13 174.26 0.50 p 32 TRP CA C 13 59.09 0.50 p 32 TRP CB C 13 28.03 0.50 p 32 TRP N N 15 122.00 0.50 p 33 ASN H H 1 8.23 0.05 p 33 ASN HA H 1 4.67 0.05 p 33 ASN HB2 H 1 2.72 0.05 p 33 ASN HB3 H 1 2.75 0.05 p 33 ASN C C 13 176.54 0.50 p 33 ASN CA C 13 54.61 0.50 p 33 ASN CB C 13 40.82 0.50 p 33 ASN N N 15 122.23 0.50 p 34 CYS H H 1 7.94 0.05 p 34 CYS HA H 1 4.40 0.05 p 34 CYS HBx H 1 3.49 0.05 p 34 CYS C C 13 178.93 0.50 p 34 CYS CA C 13 58.05 0.50 p 34 CYS CB C 13 28.54 0.50 p 34 CYS N N 15 120.44 0.50 p 35 ILE H H 1 7.97 0.05 p 35 ILE HA H 1 4.20 0.05 p 35 ILE HB H 1 1.93 0.05 p 35 ILE HD1% H 1 0.86 0.05 p 35 ILE HG12 H 1 1.19 0.05 p 35 ILE HG13 H 1 1.44 0.05 p 35 ILE HG2% H 1 0.93 0.05 p 35 ILE C C 13 175.62 0.50 p 35 ILE CA C 13 58.36 0.50 p 35 ILE CB C 13 42.44 0.50 p 35 ILE CD1 C 13 13.53 0.50 p 35 ILE CG1 C 13 26.65 0.50 p 35 ILE CG2 C 13 17.71 0.50 p 35 ILE N N 15 118.58 0.50 p 36 CYS H H 1 7.85 0.05 p 36 CYS HA H 1 4.46 0.05 p 36 CYS HBx H 1 3.42 0.05 p 36 CYS C C 13 174.47 0.50 p 36 CYS CA C 13 58.92 0.50 p 36 CYS CB C 13 28.21 0.50 p 36 CYS N N 15 117.59 0.50 p 37 ASP H H 1 8.19 0.05 p 37 ASP HA H 1 4.53 0.05 p 37 ASP HBx H 1 2.68 0.05 p 37 ASP C C 13 176.54 0.50 p 37 ASP CA C 13 55.29 0.50 p 37 ASP CB C 13 40.44 0.50 p 37 ASP N N 15 122.56 0.50 p 38 ILE H H 1 7.93 0.05 p 38 ILE HA H 1 4.10 0.05 p 38 ILE HB H 1 1.66 0.05 p 38 ILE HD1% H 1 0.85 0.05 p 38 ILE HG12 H 1 1.32 0.05 p 38 ILE HG13 H 1 1.37 0.05 p 38 ILE HG2% H 1 0.90 0.05 p 38 ILE C C 13 176.76 0.50 p 38 ILE CA C 13 62.09 0.50 p 38 ILE CB C 13 38.71 0.50 p 38 ILE CD1 C 13 10.92 0.50 p 38 ILE CG1 C 13 27.00 0.50 p 38 ILE CG2 C 13 17.47 0.50 p 38 ILE N N 15 120.93 0.50 p 39 GLU H H 1 8.43 0.05 p 39 GLU HA H 1 4.38 0.05 p 39 GLU HBx H 1 2.29 0.05 p 39 GLU HGx H 1 2.42 0.05 p 39 GLU C C 13 176.66 0.50 p 39 GLU CA C 13 57.40 0.50 p 39 GLU CB C 13 29.93 0.50 p 39 GLU CG C 13 36.54 0.50 p 39 GLU N N 15 122.54 0.50 p 40 ASN H H 1 8.27 0.05 p 40 ASN HA H 1 4.67 0.05 p 40 ASN HBx H 1 2.81 0.05 p 40 ASN C C 13 175.32 0.50 p 40 ASN CA C 13 53.48 0.50 p 40 ASN CB C 13 38.85 0.50 p 40 ASN N N 15 118.01 0.50 p 41 CYS H H 1 8.25 0.05 p 41 CYS HA H 1 4.42 0.05 p 41 CYS HB2 H 1 3.20 0.05 p 41 CYS HB3 H 1 3.53 0.05 p 41 CYS C C 13 174.94 0.50 p 41 CYS CA C 13 58.98 0.50 p 41 CYS CB C 13 27.87 0.50 p 41 CYS N N 15 118.91 0.50 p 42 SER H H 1 8.44 0.05 p 42 SER HA H 1 4.36 0.05 p 42 SER HB2 H 1 3.83 0.05 p 42 SER HB3 H 1 3.91 0.05 p 42 SER C C 13 174.45 0.50 p 42 SER CA C 13 59.03 0.50 p 42 SER CB C 13 63.62 0.50 p 42 SER N N 15 117.58 0.50 p 43 ASN H H 1 8.34 0.05 p 43 ASN HA H 1 4.68 0.05 p 43 ASN HB2 H 1 2.75 0.05 p 43 ASN HB3 H 1 2.84 0.05 p 43 ASN C C 13 174.92 0.50 p 43 ASN CA C 13 59.56 0.50 p 43 ASN CB C 13 38.78 0.50 p 43 ASN N N 15 119.80 0.50 p 44 MET H H 1 8.13 0.05 p 44 MET HA H 1 4.52 0.05 p 44 MET HBx H 1 2.08 0.05 p 44 MET HE% H 1 2.07 0.05 p 44 MET HGx H 1 2.67 0.05 p 44 MET C C 13 175.50 0.50 p 44 MET CA C 13 55.22 0.50 p 44 MET CB C 13 33.21 0.50 p 44 MET CE C 13 16.96 0.50 p 44 MET N N 15 119.41 0.50 p 45 ALA H H 1 8.16 0.05 p 45 ALA HA H 1 4.49 0.05 p 45 ALA HB% H 1 1.36 0.05 p 45 ALA C C 13 181.79 0.50 p 45 ALA CA C 13 51.24 0.50 p 45 ALA CB C 13 18.10 0.50 p 45 ALA N N 15 125.63 0.50 p 46 PRO HA H 1 4.33 0.05 p 46 PRO HB2 H 1 2.11 0.05 p 46 PRO HB3 H 1 2.34 0.05 p 46 PRO HDx H 1 3.55 0.05 p 46 PRO HGx H 1 2.18 0.05 p 46 PRO C C 13 177.05 0.50 p 46 PRO CA C 13 63.36 0.50 p 46 PRO CB C 13 31.92 0.50 p 46 PRO CD C 13 50.53 0.50 p 46 PRO CG C 13 27.72 0.50 p 47 LEU H H 1 8.22 0.05 p 47 LEU HA H 1 4.27 0.05 p 47 LEU HB2 H 1 1.70 0.05 p 47 LEU HB3 H 1 1.83 0.05 p 47 LEU HDx% H 1 1.14 0.05 p 47 LEU HG H 1 1.67 0.05 p 47 LEU C C 13 177.20 0.50 p 47 LEU CA C 13 55.86 0.50 p 47 LEU CB C 13 42.17 0.50 p 47 LEU CDx C 13 23.90 0.50 p 47 LEU CG C 13 25.89 0.50 p 47 LEU N N 15 121.16 0.50 p 48 TYR H H 1 7.95 0.05 p 48 TYR HA H 1 4.16 0.05 p 48 TYR HB2 H 1 3.08 0.05 p 48 TYR HB3 H 1 3.30 0.05 p 48 TYR C C 13 175.71 0.50 p 48 TYR CA C 13 57.46 0.50 p 48 TYR CB C 13 38.96 0.50 p 48 TYR N N 15 118.37 0.50 p 49 SER H H 1 8.12 0.05 p 49 SER HA H 1 4.37 0.05 p 49 SER HB2 H 1 3.76 0.05 p 49 SER HB3 H 1 3.83 0.05 p 49 SER C C 13 174.45 0.50 p 49 SER CA C 13 58.37 0.50 p 49 SER CB C 13 63.98 0.50 p 49 SER N N 15 116.13 0.50 p 50 ASP H H 1 8.21 0.05 p 50 ASP HA H 1 4.49 0.05 p 50 ASP HB2 H 1 2.75 0.05 p 50 ASP HB3 H 1 2.81 0.05 p 50 ASP C C 13 177.39 0.50 p 50 ASP CA C 13 55.13 0.50 p 50 ASP CB C 13 40.12 0.50 p 50 ASP N N 15 122.73 0.50 p 51 GLN H H 1 8.08 0.05 p 51 GLN HA H 1 4.38 0.05 p 51 GLN HBx H 1 1.98 0.05 p 51 GLN HGx H 1 2.40 0.05 p 51 GLN C C 13 176.34 0.50 p 51 GLN CA C 13 58.99 0.50 p 51 GLN CB C 13 27.26 0.50 p 51 GLN CG C 13 34.20 0.50 p 51 GLN N N 15 119.54 0.50 p 52 ALA H H 1 8.79 0.05 p 52 ALA HA H 1 4.20 0.05 p 52 ALA HB% H 1 1.48 0.05 p 52 ALA C C 13 179.83 0.50 p 52 ALA CA C 13 54.58 0.50 p 52 ALA CB C 13 18.58 0.50 p 52 ALA N N 15 125.21 0.50 p 53 LEU H H 1 8.48 0.05 p 53 LEU HA H 1 3.87 0.05 p 53 LEU HB2 H 1 1.79 0.05 p 53 LEU HB3 H 1 1.95 0.05 p 53 LEU HD1% H 1 0.87 0.05 p 53 LEU HD2% H 1 0.91 0.05 p 53 LEU HG H 1 1.66 0.05 p 53 LEU C C 13 178.73 0.50 p 53 LEU CA C 13 57.82 0.50 p 53 LEU CB C 13 42.33 0.50 p 53 LEU CD1 C 13 25.54 0.50 p 53 LEU CD2 C 13 24.78 0.50 p 53 LEU CG C 13 26.00 0.50 p 53 LEU N N 15 120.31 0.50 p 54 LYS H H 1 8.12 0.05 p 54 LYS HA H 1 4.12 0.05 p 54 LYS HBx H 1 1.84 0.05 p 54 LYS HDx H 1 1.64 0.05 p 54 LYS HEx H 1 2.94 0.05 p 54 LYS HG2 H 1 1.57 0.05 p 54 LYS HG3 H 1 1.68 0.05 p 54 LYS C C 13 179.24 0.50 p 54 LYS CA C 13 60.36 0.50 p 54 LYS CB C 13 32.09 0.50 p 54 LYS CD C 13 29.18 0.50 p 54 LYS CE C 13 40.26 0.50 p 54 LYS CG C 13 27.01 0.50 p 54 LYS N N 15 118.32 0.50 p 55 LYS H H 1 7.95 0.05 p 55 LYS HA H 1 4.11 0.05 p 55 LYS HBx H 1 1.89 0.05 p 55 LYS HDx H 1 1.52 0.05 p 55 LYS HEx H 1 2.95 0.05 p 55 LYS HGx H 1 1.46 0.05 p 55 LYS C C 13 179.64 0.50 p 55 LYS CA C 13 59.45 0.50 p 55 LYS CB C 13 32.31 0.50 p 55 LYS CD C 13 25.52 0.50 p 55 LYS CE C 13 41.51 0.50 p 55 LYS CG C 13 28.24 0.50 p 55 LYS N N 15 120.84 0.50 p 56 LYS H H 1 7.80 0.05 p 56 LYS HA H 1 4.08 0.05 p 56 LYS HBx H 1 1.93 0.05 p 56 LYS HD2 H 1 1.47 0.05 p 56 LYS HD3 H 1 1.60 0.05 p 56 LYS HEx H 1 2.96 0.05 p 56 LYS HGx H 1 1.66 0.05 p 56 LYS C C 13 178.73 0.50 p 56 LYS CA C 13 59.41 0.50 p 56 LYS CB C 13 32.36 0.50 p 56 LYS CD C 13 25.71 0.50 p 56 LYS CE C 13 42.59 0.50 p 56 LYS CG C 13 25.51 0.50 p 56 LYS N N 15 121.24 0.50 p 57 LEU H H 1 8.47 0.05 p 57 LEU HA H 1 3.91 0.05 p 57 LEU HB2 H 1 1.60 0.05 p 57 LEU HB3 H 1 1.77 0.05 p 57 LEU HDx% H 1 0.90 0.05 p 57 LEU HG H 1 1.55 0.05 p 57 LEU C C 13 178.07 0.50 p 57 LEU CA C 13 58.63 0.50 p 57 LEU CB C 13 42.28 0.50 p 57 LEU CDx C 13 25.40 0.50 p 57 LEU CG C 13 27.19 0.50 p 57 LEU N N 15 120.22 0.50 p 58 ALA H H 1 7.71 0.05 p 58 ALA HA H 1 4.13 0.05 p 58 ALA HB% H 1 1.47 0.05 p 58 ALA C C 13 180.93 0.50 p 58 ALA CA C 13 55.36 0.50 p 58 ALA CB C 13 18.02 0.50 p 58 ALA N N 15 119.64 0.50 p 59 GLN H H 1 7.95 0.05 p 59 GLN HA H 1 4.08 0.05 p 59 GLN HB2 H 1 2.02 0.05 p 59 GLN HB3 H 1 2.21 0.05 p 59 GLN HGx H 1 2.33 0.05 p 59 GLN C C 13 179.24 0.50 p 59 GLN CA C 13 59.00 0.50 p 59 GLN CB C 13 28.50 0.50 p 59 GLN CG C 13 34.07 0.50 p 59 GLN N N 15 118.19 0.05 p 60 LEU H H 1 8.50 0.05 p 60 LEU HA H 1 4.20 0.05 p 60 LEU HBx H 1 1.49 0.05 p 60 LEU HD1% H 1 0.86 0.05 p 60 LEU HD2% H 1 0.83 0.05 p 60 LEU HG H 1 1.41 0.05 p 60 LEU C C 13 179.24 0.50 p 60 LEU CA C 13 58.13 0.50 p 60 LEU CB C 13 42.58 0.50 p 60 LEU CD1 C 13 26.37 0.50 p 60 LEU CD2 C 13 24.46 0.50 p 60 LEU CG C 13 29.15 0.50 p 60 LEU N N 15 121.24 0.50 p 61 LYS H H 1 8.51 0.05 p 61 LYS HA H 1 4.17 0.05 p 61 LYS HBx H 1 1.90 0.05 p 61 LYS HDx H 1 1.66 0.05 p 61 LYS HEx H 1 2.97 0.05 p 61 LYS HG2 H 1 1.48 0.05 p 61 LYS HG3 H 1 1.59 0.05 p 61 LYS C C 13 179.64 0.50 p 61 LYS CA C 13 60.72 0.50 p 61 LYS CB C 13 32.32 0.50 p 61 LYS CD C 13 29.26 0.50 p 61 LYS CE C 13 42.02 0.50 p 61 LYS CG C 13 25.40 0.50 p 61 LYS N N 15 118.79 0.50 p 62 TRP H H 1 8.03 0.05 p 62 TRP HA H 1 4.17 0.05 p 62 TRP HB2 H 1 3.44 0.05 p 62 TRP HB3 H 1 3.55 0.05 p 62 TRP C C 13 178.94 0.50 p 62 TRP CA C 13 60.78 0.50 p 62 TRP CB C 13 29.02 0.50 p 62 TRP N N 15 121.18 0.50 p 63 LYS H H 1 8.23 0.05 p 63 LYS HA H 1 3.91 0.05 p 63 LYS HB2 H 1 2.02 0.05 p 63 LYS HB3 H 1 2.12 0.05 p 63 LYS HDx H 1 1.83 0.05 p 63 LYS HEx H 1 2.95 0.05 p 63 LYS HGx H 1 1.68 0.05 p 63 LYS C C 13 178.80 0.50 p 63 LYS CA C 13 59.51 0.50 p 63 LYS CB C 13 32.65 0.50 p 63 LYS CD C 13 29.92 0.50 p 63 LYS CE C 13 42.05 0.50 p 63 LYS CG C 13 25.54 0.50 p 63 LYS N N 15 121.63 0.50 p 64 LEU H H 1 8.68 0.05 p 64 LEU HA H 1 3.91 0.05 p 64 LEU HB2 H 1 1.83 0.05 p 64 LEU HB3 H 1 1.67 0.05 p 64 LEU HD1% H 1 0.94 0.05 p 64 LEU HD2% H 1 0.91 0.05 p 64 LEU HG H 1 1.58 0.05 p 64 LEU C C 13 178.36 0.50 p 64 LEU CA C 13 58.56 0.50 p 64 LEU CB C 13 42.02 0.50 p 64 LEU CD1 C 13 24.22 0.50 p 64 LEU CD2 C 13 25.19 0.50 p 64 LEU CG C 13 27.52 0.50 p 64 LEU N N 15 120.82 0.50 p 65 GLN H H 1 7.81 0.05 p 65 GLN HA H 1 4.09 0.05 p 65 GLN HB2 H 1 1.90 0.05 p 65 GLN HB3 H 1 2.06 0.05 p 65 GLN HGx H 1 2.16 0.05 p 65 GLN C C 13 178.79 0.50 p 65 GLN CA C 13 58.97 0.50 p 65 GLN CB C 13 27.89 0.50 p 65 GLN CG C 13 33.76 0.50 p 65 GLN N N 15 117.24 0.50 p 66 ALA H H 1 7.61 0.05 p 66 ALA HA H 1 3.96 0.05 p 66 ALA HB% H 1 1.26 0.05 p 66 ALA C C 13 181.33 0.50 p 66 ALA CA C 13 55.22 0.50 p 66 ALA CB C 13 17.65 0.50 p 66 ALA N N 15 122.68 0.50 p 67 LEU H H 1 8.45 0.05 p 67 LEU HA H 1 4.09 0.05 p 67 LEU HB2 H 1 1.80 0.05 p 67 LEU HB3 H 1 2.03 0.05 p 67 LEU HD1% H 1 0.85 0.05 p 67 LEU HD2% H 1 0.91 0.05 p 67 LEU HG H 1 1.33 0.05 p 67 LEU C C 13 180.39 0.05 p 67 LEU CA C 13 57.98 0.50 p 67 LEU CB C 13 42.67 0.50 p 67 LEU CD1 C 13 23.33 0.50 p 67 LEU CD2 C 13 23.77 0.50 p 67 LEU CG C 13 25.90 0.50 p 67 LEU N N 15 120.99 0.50 p 68 LYS H H 1 8.66 0.05 p 68 LYS HA H 1 3.92 0.05 p 68 LYS HBx H 1 2.05 0.05 p 68 LYS HDx H 1 1.67 0.05 p 68 LYS HEx H 1 2.96 0.05 p 68 LYS HGx H 1 1.39 0.05 p 68 LYS C C 13 179.64 0.50 p 68 LYS CA C 13 60.17 0.50 p 68 LYS CB C 13 32.29 0.50 p 68 LYS CD C 13 29.14 0.50 p 68 LYS CE C 13 42.01 0.50 p 68 LYS CG C 13 23.92 0.50 p 68 LYS N N 15 121.23 0.50 p 69 LYS H H 1 7.87 0.05 p 69 LYS HA H 1 4.12 0.05 p 69 LYS HBx H 1 1.91 0.05 p 69 LYS HDx H 1 1.40 0.05 p 69 LYS HEx H 1 2.95 0.05 p 69 LYS HGx H 1 1.57 0.05 p 69 LYS C C 13 179.24 0.50 p 69 LYS CA C 13 59.62 0.50 p 69 LYS CB C 13 32.15 0.50 p 69 LYS CD C 13 27.73 0.50 p 69 LYS CE C 13 42.28 0.50 p 69 LYS CG C 13 29.17 0.50 p 69 LYS N N 15 121.91 0.50 p 70 LYS H H 1 7.73 0.05 p 70 LYS HA H 1 4.13 0.05 p 70 LYS HBx H 1 1.91 0.05 p 70 LYS HDx H 1 1.67 0.05 p 70 LYS HEx H 1 2.96 0.05 p 70 LYS HG2 H 1 1.40 0.05 p 70 LYS HG3 H 1 1.52 0.05 p 70 LYS C C 13 177.87 0.50 p 70 LYS CA C 13 58.72 0.50 p 70 LYS CB C 13 31.95 0.50 p 70 LYS CD C 13 28.98 0.50 p 70 LYS CE C 13 42.02 0.50 p 70 LYS CG C 13 24.99 0.50 p 70 LYS N N 15 120.44 0.50 p 71 ASN H H 1 8.40 0.05 p 71 ASN HA H 1 4.00 0.05 p 71 ASN HB2 H 1 2.75 0.05 p 71 ASN HB3 H 1 3.45 0.05 p 71 ASN HD21 H 1 7.36 0.05 p 71 ASN HD22 H 1 8.06 0.05 p 71 ASN C C 13 178.93 0.50 p 71 ASN CA C 13 58.57 0.50 p 71 ASN CB C 13 40.28 0.50 p 71 ASN N N 15 119.55 0.50 p 71 ASN ND2 N 15 111.92 0.50 p 72 ALA H H 1 7.72 0.05 p 72 ALA HA H 1 4.13 0.05 p 72 ALA HB% H 1 1.46 0.05 p 72 ALA C C 13 180.83 0.50 p 72 ALA CA C 13 55.14 0.50 p 72 ALA CB C 13 18.25 0.50 p 72 ALA N N 15 118.68 0.50 p 73 GLN H H 1 7.84 0.05 p 73 GLN HA H 1 4.04 0.05 p 73 GLN HB2 H 1 1.92 0.05 p 73 GLN HB3 H 1 2.16 0.05 p 73 GLN HG2 H 1 2.34 0.05 p 73 GLN HG3 H 1 2.60 0.05 p 73 GLN C C 13 179.25 0.50 p 73 GLN CA C 13 58.89 0.50 p 73 GLN CB C 13 28.63 0.50 p 73 GLN CG C 13 36.81 0.50 p 73 GLN N N 15 118.50 0.50 p 74 LEU H H 1 8.52 0.05 p 74 LEU HA H 1 4.11 0.05 p 74 LEU HB2 H 1 1.60 0.05 p 74 LEU HB3 H 1 1.77 0.05 p 74 LEU HD1% H 1 0.83 0.05 p 74 LEU HD2% H 1 0.89 0.05 p 74 LEU HG H 1 1.44 0.05 p 74 LEU C C 13 178.87 0.50 p 74 LEU CA C 13 57.96 0.50 p 74 LEU CB C 13 43.16 0.50 p 74 LEU CD1 C 13 23.22 0.50 p 74 LEU CD2 C 13 19.98 0.50 p 74 LEU CG C 13 26.17 0.50 p 74 LEU N N 15 121.19 0.50 p 75 LYS H H 1 8.16 0.05 p 75 LYS HA H 1 3.90 0.05 p 75 LYS HBx H 1 1.82 0.05 p 75 LYS HDx H 1 1.66 0.05 p 75 LYS HEx H 1 2.97 0.05 p 75 LYS HGx H 1 1.55 0.05 p 75 LYS C C 13 179.12 0.50 p 75 LYS CA C 13 60.24 0.50 p 75 LYS CB C 13 32.63 0.50 p 75 LYS CD C 13 29.65 0.50 p 75 LYS CE C 13 41.93 0.50 p 75 LYS CG C 13 27.33 0.50 p 75 LYS N N 15 117.03 0.50 p 76 LYS H H 1 7.62 0.05 p 76 LYS HA H 1 4.02 0.05 p 76 LYS HBx H 1 1.91 0.05 p 76 LYS HDx H 1 1.69 0.05 p 76 LYS HEx H 1 2.91 0.05 p 76 LYS HGx H 1 1.54 0.05 p 76 LYS C C 13 178.12 0.50 p 76 LYS CA C 13 58.68 0.50 p 76 LYS CB C 13 32.42 0.50 p 76 LYS CD C 13 29.29 0.50 p 76 LYS CE C 13 41.65 0.50 p 76 LYS CG C 13 25.09 0.50 p 76 LYS N N 15 118.42 0.50 p 77 LYS H H 1 7.73 0.05 p 77 LYS HA H 1 4.11 0.05 p 77 LYS HB2 H 1 1.68 0.05 p 77 LYS HB3 H 1 1.95 0.05 p 77 LYS HDx H 1 1.63 0.05 p 77 LYS HEx H 1 2.96 0.05 p 77 LYS HG2 H 1 1.37 0.05 p 77 LYS HG3 H 1 1.55 0.05 p 77 LYS C C 13 178.13 0.50 p 77 LYS CA C 13 58.63 0.50 p 77 LYS CB C 13 33.08 0.50 p 77 LYS CD C 13 29.48 0.50 p 77 LYS CE C 13 42.30 0.50 p 77 LYS CG C 13 25.48 0.50 p 77 LYS N N 15 118.92 0.50 p 78 LEU H H 1 7.75 0.05 p 78 LEU HA H 1 4.13 0.05 p 78 LEU HBx H 1 1.55 0.05 p 78 LEU HD1% H 1 0.88 0.05 p 78 LEU HD2% H 1 0.82 0.05 p 78 LEU HG H 1 1.65 0.05 p 78 LEU C C 13 177.19 0.50 p 78 LEU CA C 13 56.07 0.50 p 78 LEU CB C 13 43.07 0.50 p 78 LEU CD1 C 13 26.00 0.50 p 78 LEU CD2 C 13 25.70 0.50 p 78 LEU CG C 13 27.52 0.50 p 78 LEU N N 15 119.25 0.50 p 79 GLN H H 1 7.68 0.05 p 79 GLN HA H 1 4.27 0.05 p 79 GLN HB2 H 1 1.67 0.05 p 79 GLN HB3 H 1 1.97 0.05 p 79 GLN HG2 H 1 2.18 0.05 p 79 GLN HG3 H 1 2.43 0.05 p 79 GLN C C 13 174.65 0.50 p 79 GLN CA C 13 56.01 0.50 p 79 GLN CB C 13 29.13 0.50 p 79 GLN CG C 13 33.73 0.50 p 79 GLN N N 15 118.94 0.50 p 80 ALA H H 1 7.76 0.05 p 80 ALA HA H 1 4.12 0.05 p 80 ALA HB% H 1 1.37 0.05 p 80 ALA C C 13 182.60 0.50 p 80 ALA CA C 13 54.10 0.50 p 80 ALA CB C 13 20.09 0.50 p 80 ALA N N 15 130.26 0.50 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 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 p 48 TYR H p 52 ALA HB% 1.0 1.5 4.0 2 2 p 48 TYR H p 46 PRO HB3 1.0 1.5 4.0 3 2 p 48 TYR H p 46 PRO HB2 1.0 1.5 4.0 4 3 p 47 LEU H p 48 TYR HD% 1.0 1.5 4.0 5 4 p 47 LEU H p 48 TYR HE% 1.0 1.5 4.0 6 5 p 52 ALA HB% p 50 ASP H 1.0 1.5 4.0 7 6 p 2 GLN H p 2 GLN HBy 1.0 1.5 3.3 8 7 p 2 GLN H p 2 GLN HBx 1.0 1.5 3.3 9 8 p 2 GLN H p 2 GLN HGy 1.0 1.5 4.0 10 9 p 2 GLN H p 2 GLN HGx 1.0 1.5 4.0 11 10 p 3 ALA H p 3 ALA HA 1.0 1.5 3.3 12 11 p 3 ALA H p 3 ALA HB% 1.0 1.5 3.3 13 12 p 4 LEU H p 4 LEU HA 1.0 1.5 3.3 14 13 p 4 LEU H p 4 LEU HBy 1.0 1.5 3.3 15 14 p 4 LEU H p 4 LEU HBx 1.0 1.5 3.3 16 15 p 4 LEU H p 4 LEU HD1% 1.0 1.5 4.0 17 16 p 4 LEU H p 4 LEU HD2% 1.0 1.5 4.0 18 17 p 3 ALA H p 4 LEU H 1.0 1.5 2.7 19 18 p 3 ALA HA p 4 LEU H 1.0 1.5 3.3 20 19 p 3 ALA HB% p 4 LEU H 1.0 1.5 3.3 21 20 p 2 GLN H p 4 LEU H 1.0 1.5 4.0 22 21 p 4 LEU H p 1 MET HA 1.0 1.5 4.0 23 22 p 4 LEU HA p 7 GLU HB3 1.0 1.5 3.3 24 23 p 4 LEU HA p 7 GLU HB2 1.0 1.5 4.0 25 24 p 4 LEU HD1% p 74 LEU HD1% 1.0 1.5 4.7 26 25 p 4 LEU HD2% p 74 LEU HD2% 1.0 1.5 4.7 27 26 p 5 GLU H p 5 GLU HA 1.0 1.5 3.3 28 27 p 5 GLU H p 5 GLU HBy 1.0 1.5 4.0 29 28 p 5 GLU H p 5 GLU HBx 1.0 1.5 3.3 30 29 p 5 GLU H p 5 GLU HGy 1.0 1.5 4.0 31 30 p 5 GLU H p 5 GLU HGx 1.0 1.5 4.0 32 31 p 4 LEU H p 5 GLU H 1.0 1.5 2.7 33 32 p 4 LEU HA p 5 GLU H 1.0 1.5 3.3 34 33 p 4 LEU HBy p 5 GLU H 1.0 1.5 3.3 35 34 p 4 LEU HBx p 5 GLU H 1.0 1.5 4.0 36 35 p 4 LEU HD1% p 5 GLU H 1.0 1.5 4.0 37 36 p 4 LEU HD2% p 5 GLU H 1.0 1.5 4.0 38 37 p 6 LYS H p 6 LYS HA 1.0 1.5 3.3 39 38 p 6 LYS H p 6 LYS HBy 1.0 1.5 4.0 40 39 p 6 LYS H p 6 LYS HBx 1.0 1.5 3.3 41 40 p 5 GLU H p 6 LYS H 1.0 1.5 2.7 42 41 p 5 GLU HA p 6 LYS H 1.0 1.5 3.3 43 42 p 5 GLU HBy p 6 LYS H 1.0 1.5 4.0 44 43 p 5 GLU HBx p 6 LYS H 1.0 1.5 3.3 45 44 p 5 GLU HGy p 6 LYS H 1.0 1.5 4.0 46 45 p 5 GLU HGx p 6 LYS H 1.0 1.5 4.0 47 46 p 6 LYS HA p 9 ALA HB% 1.0 1.5 4.0 48 47 p 3 ALA H p 6 LYS H 1.0 1.5 3.5 49 48 p 7 GLU H p 7 GLU HA 1.0 1.5 3.3 50 49 p 7 GLU HB3 p 7 GLU H 1.0 1.5 3.3 51 50 p 7 GLU HB2 p 7 GLU H 1.0 1.5 3.3 52 51 p 7 GLU H p 7 GLU HG3 1.0 1.5 4.0 53 52 p 7 GLU H p 7 GLU HG2 1.0 1.5 4.0 54 53 p 6 LYS H p 7 GLU H 1.0 1.5 2.7 55 54 p 6 LYS HA p 7 GLU H 1.0 1.5 3.3 56 55 p 6 LYS HBy p 7 GLU H 1.0 1.5 4.0 57 56 p 6 LYS HBx p 7 GLU H 1.0 1.5 3.3 58 57 p 4 LEU H p 7 GLU H 1.0 1.5 3.7 59 58 p 4 LEU HA p 7 GLU H 1.0 1.5 3.7 60 59 p 8 LEU H p 8 LEU HA 1.0 1.5 3.3 61 60 p 8 LEU H p 8 LEU HBy 1.0 1.5 3.3 62 61 p 8 LEU H p 8 LEU HBx 1.0 1.5 3.3 63 62 p 8 LEU H p 8 LEU HD1% 1.0 1.5 4.0 64 63 p 8 LEU H p 8 LEU HD2% 1.0 1.5 4.0 65 64 p 7 GLU H p 8 LEU H 1.0 1.5 2.7 66 65 p 7 GLU HA p 8 LEU H 1.0 1.5 3.3 67 66 p 7 GLU HB3 p 8 LEU H 1.0 1.5 3.3 68 67 p 7 GLU HB2 p 8 LEU H 1.0 1.5 4.0 69 68 p 7 GLU HG3 p 8 LEU H 1.0 1.5 4.0 70 69 p 7 GLU HG2 p 8 LEU H 1.0 1.5 4.0 71 70 p 5 GLU HA p 8 LEU H 1.0 1.5 3.5 72 71 p 8 LEU HA p 11 ASN HB3 1.0 1.5 3.3 73 72 p 8 LEU HA p 11 ASN HB2 1.0 1.5 3.3 74 73 p 8 LEU HD1% p 78 LEU HD1% 1.0 1.5 4.7 75 74 p 8 LEU HD1% p 78 LEU HD2% 1.0 1.5 4.7 76 75 p 9 ALA H p 9 ALA HA 1.0 1.5 3.3 77 76 p 9 ALA HB% p 9 ALA H 1.0 1.5 3.3 78 77 p 8 LEU H p 9 ALA H 1.0 1.5 2.7 79 78 p 8 LEU HA p 9 ALA H 1.0 1.5 3.3 80 79 p 8 LEU HBy p 9 ALA H 1.0 1.5 3.3 81 80 p 8 LEU HBx p 9 ALA H 1.0 1.5 4.0 82 81 p 8 LEU HD1% p 9 ALA H 1.0 1.5 4.0 83 82 p 8 LEU HD2% p 9 ALA H 1.0 1.5 4.0 84 83 p 9 ALA HA p 12 GLU HB3 1.0 1.5 3.3 85 84 p 9 ALA HA p 12 GLU HB2 1.0 1.5 3.3 86 85 p 6 LYS H p 9 ALA H 1.0 1.5 3.5 87 86 p 6 LYS HA p 9 ALA H 1.0 1.5 3.5 88 87 p 10 GLN H p 10 GLN HA 1.0 1.5 3.3 89 88 p 10 GLN H p 10 GLN HB3 1.0 1.5 3.3 90 89 p 10 GLN H p 10 GLN HB2 1.0 1.5 3.3 91 90 p 10 GLN H p 10 GLN HGy 1.0 1.5 4.0 92 91 p 10 GLN H p 10 GLN HGx 1.0 1.5 4.0 93 92 p 9 ALA H p 10 GLN H 1.0 1.5 2.7 94 93 p 9 ALA HA p 10 GLN H 1.0 1.5 3.3 95 94 p 9 ALA HB% p 10 GLN H 1.0 1.5 3.3 96 95 p 8 LEU H p 10 GLN H 1.0 1.5 4.0 97 96 p 7 GLU H p 10 GLN H 1.0 1.5 3.5 98 97 p 7 GLU HA p 10 GLN H 1.0 1.5 3.5 99 98 p 10 GLN HA p 13 TRP HB3 1.0 1.5 3.3 100 99 p 10 GLN HA p 13 TRP HB2 1.0 1.5 3.3 101 100 p 11 ASN H p 11 ASN HA 1.0 1.5 3.3 102 101 p 11 ASN HB3 p 11 ASN H 1.0 1.5 3.3 103 102 p 11 ASN HB2 p 11 ASN H 1.0 1.5 3.3 104 103 p 10 GLN H p 11 ASN H 1.0 1.5 2.7 105 104 p 10 GLN HA p 11 ASN H 1.0 1.5 3.3 106 105 p 10 GLN HB3 p 11 ASN H 1.0 1.5 3.3 107 106 p 10 GLN HB2 p 11 ASN H 1.0 1.5 4.0 108 107 p 10 GLN HGy p 11 ASN H 1.0 1.5 4.0 109 108 p 10 GLN HGx p 11 ASN H 1.0 1.5 4.0 110 109 p 8 LEU H p 11 ASN H 1.0 1.5 3.5 111 110 p 8 LEU HA p 11 ASN H 1.0 1.5 3.5 112 111 p 11 ASN HA p 14 GLU HBy 1.0 1.5 4.0 113 112 p 11 ASN HA p 14 GLU HBx 1.0 1.5 3.3 114 113 p 11 ASN ND2 p 74 LEU CD2 1.0 1.5 4.7 115 114 p 11 ASN ND2 p 71 ASN OD1 1.0 1.5 4.7 116 115 p 12 GLU H p 12 GLU HA 1.0 1.5 3.3 117 116 p 12 GLU HB3 p 12 GLU H 1.0 1.5 4.0 118 117 p 12 GLU HB2 p 12 GLU H 1.0 1.5 3.3 119 118 p 12 GLU H p 12 GLU HG3 1.0 1.5 4.0 120 119 p 12 GLU H p 12 GLU HG2 1.0 1.5 4.0 121 120 p 11 ASN H p 12 GLU H 1.0 1.5 2.7 122 121 p 11 ASN HA p 12 GLU H 1.0 1.5 3.3 123 122 p 11 ASN HB3 p 12 GLU H 1.0 1.5 3.3 124 123 p 11 ASN HB2 p 12 GLU H 1.0 1.5 4.0 125 124 p 9 ALA H p 12 GLU H 1.0 1.5 3.3 126 125 p 9 ALA HA p 12 GLU H 1.0 1.5 3.5 127 126 p 13 TRP H p 13 TRP HA 1.0 1.5 3.3 128 127 p 13 TRP HB3 p 13 TRP H 1.0 1.5 3.3 129 128 p 13 TRP HB2 p 13 TRP H 1.0 1.5 3.3 130 129 p 12 GLU H p 13 TRP H 1.0 1.5 2.7 131 130 p 12 GLU HA p 13 TRP H 1.0 1.5 3.3 132 131 p 12 GLU HB3 p 13 TRP H 1.0 1.5 4.0 133 132 p 12 GLU HB2 p 13 TRP H 1.0 1.5 3.3 134 133 p 12 GLU HG3 p 13 TRP H 1.0 1.5 4.0 135 134 p 12 GLU HG2 p 13 TRP H 1.0 1.5 4.0 136 135 p 10 GLN H p 13 TRP H 1.0 1.5 3.5 137 136 p 10 GLN HA p 13 TRP H 1.0 1.5 3.5 138 137 p 13 TRP HA p 16 GLN HBy 1.0 1.5 3.3 139 138 p 13 TRP HA p 16 GLN HBx 1.0 1.5 3.3 140 139 p 14 GLU H p 14 GLU HA 1.0 1.5 3.3 141 140 p 14 GLU HBy p 14 GLU H 1.0 1.5 4.0 142 141 p 14 GLU HBx p 14 GLU H 1.0 1.5 3.3 143 142 p 14 GLU H p 14 GLU HG3 1.0 1.5 4.0 144 143 p 14 GLU H p 14 GLU HG2 1.0 1.5 4.0 145 144 p 13 TRP HA p 14 GLU H 1.0 1.5 3.3 146 145 p 13 TRP HB3 p 14 GLU H 1.0 1.5 3.3 147 146 p 13 TRP HB2 p 14 GLU H 1.0 1.5 4.0 148 147 p 14 GLU HA p 17 ALA HB% 1.0 1.5 4.0 149 148 p 11 ASN H p 14 GLU H 1.0 1.5 3.5 150 149 p 11 ASN HA p 14 GLU H 1.0 1.5 3.5 151 150 p 15 LEU H p 15 LEU HA 1.0 1.5 3.3 152 151 p 15 LEU H p 15 LEU HB3 1.0 1.5 3.3 153 152 p 15 LEU H p 15 LEU HB2 1.0 1.5 3.3 154 153 p 15 LEU H p 15 LEU HDx% 1.0 1.5 4.0 155 154 p 15 LEU H p 15 LEU HD21 1.0 1.5 4.0 156 155 p 14 GLU H p 15 LEU H 1.0 1.5 2.7 157 156 p 14 GLU HA p 15 LEU H 1.0 1.5 3.3 158 157 p 14 GLU HBy p 15 LEU H 1.0 1.5 4.0 159 158 p 14 GLU HBx p 15 LEU H 1.0 1.5 3.3 160 159 p 14 GLU HG3 p 15 LEU H 1.0 1.5 4.0 161 160 p 14 GLU HG2 p 15 LEU H 1.0 1.5 4.0 162 161 p 12 GLU H p 15 LEU H 1.0 1.5 3.5 163 162 p 12 GLU HA p 15 LEU H 1.0 1.5 3.5 164 163 p 16 GLN H p 16 GLN HA 1.0 1.5 3.3 165 164 p 16 GLN HBy p 16 GLN H 1.0 1.5 4.0 166 165 p 16 GLN HBx p 16 GLN H 1.0 1.5 3.3 167 166 p 16 GLN H p 16 GLN HGy 1.0 1.5 4.0 168 167 p 16 GLN H p 16 GLN HGx 1.0 1.5 4.0 169 168 p 15 LEU H p 16 GLN H 1.0 1.5 2.7 170 169 p 15 LEU HA p 16 GLN H 1.0 1.5 3.3 171 170 p 15 LEU HB3 p 16 GLN H 1.0 1.5 3.3 172 171 p 15 LEU HB2 p 16 GLN H 1.0 1.5 4.0 173 172 p 15 LEU HDx% p 16 GLN H 1.0 1.5 4.0 174 173 p 15 LEU HD21 p 16 GLN H 1.0 1.5 4.0 175 174 p 13 TRP H p 16 GLN H 1.0 1.5 3.5 176 175 p 13 TRP HA p 16 GLN H 1.0 1.5 4.0 177 176 p 17 ALA H p 17 ALA HA 1.0 1.5 3.3 178 177 p 17 ALA HB% p 17 ALA H 1.0 1.5 3.3 179 178 p 16 GLN H p 17 ALA H 1.0 1.5 2.7 180 179 p 16 GLN HA p 17 ALA H 1.0 1.5 3.3 181 180 p 16 GLN HBy p 17 ALA H 1.0 1.5 4.0 182 181 p 16 GLN HBx p 17 ALA H 1.0 1.5 3.3 183 182 p 16 GLN HGy p 17 ALA H 1.0 1.5 4.0 184 183 p 16 GLN HGx p 17 ALA H 1.0 1.5 4.0 185 184 p 15 LEU H p 17 ALA H 1.0 1.5 4.0 186 185 p 14 GLU H p 17 ALA H 1.0 1.5 3.5 187 186 p 14 GLU HA p 17 ALA H 1.0 1.5 3.5 188 187 p 17 ALA HA p 20 LYS HB3 1.0 1.5 3.3 189 188 p 17 ALA HA p 20 LYS HB2 1.0 1.5 3.3 190 189 p 18 LEU H p 18 LEU HA 1.0 1.5 3.3 191 190 p 18 LEU H p 18 LEU HB3 1.0 1.5 3.3 192 191 p 18 LEU H p 18 LEU HB2 1.0 1.5 3.3 193 192 p 18 LEU H p 18 LEU HDx% 1.0 1.5 4.0 194 193 p 18 LEU H p 18 LEU HD21 1.0 1.5 4.0 195 194 p 17 ALA H p 18 LEU H 1.0 1.5 2.7 196 195 p 17 ALA HA p 18 LEU H 1.0 1.5 3.3 197 196 p 17 ALA HB% p 18 LEU H 1.0 1.5 3.3 198 197 p 15 LEU H p 18 LEU H 1.0 1.5 3.3 199 198 p 15 LEU HA p 18 LEU H 1.0 1.5 3.3 200 199 p 18 LEU HA p 21 GLU HBy 1.0 1.5 3.3 201 200 p 18 LEU HA p 21 GLU HBx 1.0 1.5 3.3 202 201 p 18 LEU HDx% p 60 LEU HG 1.0 1.5 4.7 203 202 p 18 LEU HD21 p 60 LEU HD1% 1.0 1.5 4.7 204 203 p 19 GLU H p 19 GLU HA 1.0 1.5 3.3 205 204 p 19 GLU H p 19 GLU HB3 1.0 1.5 4.0 206 205 p 19 GLU H p 19 GLU HB2 1.0 1.5 3.3 207 206 p 19 GLU H p 19 GLU HGy 1.0 1.5 4.0 208 207 p 19 GLU H p 19 GLU HGx 1.0 1.5 4.0 209 208 p 18 LEU H p 19 GLU H 1.0 1.5 2.7 210 209 p 18 LEU HA p 19 GLU H 1.0 1.5 3.3 211 210 p 18 LEU HB3 p 19 GLU H 1.0 1.5 3.3 212 211 p 18 LEU HB2 p 19 GLU H 1.0 1.5 4.0 213 212 p 18 LEU HDx% p 19 GLU H 1.0 1.5 4.0 214 213 p 18 LEU HD21 p 19 GLU H 1.0 1.5 4.0 215 214 p 16 GLN H p 19 GLU H 1.0 1.5 3.3 216 215 p 16 GLN HA p 19 GLU H 1.0 1.5 3.3 217 216 p 20 LYS H p 20 LYS HA 1.0 1.5 3.3 218 217 p 20 LYS HB3 p 20 LYS H 1.0 1.5 3.3 219 218 p 20 LYS HB2 p 20 LYS H 1.0 1.5 3.3 220 219 p 20 LYS H p 20 LYS HGy 1.0 1.5 4.0 221 220 p 20 LYS H p 20 LYS HGx 1.0 1.5 4.0 222 221 p 19 GLU H p 20 LYS H 1.0 1.5 2.7 223 222 p 19 GLU HA p 20 LYS H 1.0 1.5 3.3 224 223 p 19 GLU HB3 p 20 LYS H 1.0 1.5 4.0 225 224 p 19 GLU HB2 p 20 LYS H 1.0 1.5 3.3 226 225 p 19 GLU HGy p 20 LYS H 1.0 1.5 4.0 227 226 p 19 GLU HGx p 20 LYS H 1.0 1.5 4.0 228 227 p 17 ALA H p 20 LYS H 1.0 1.5 3.5 229 228 p 18 LEU H p 20 LYS H 1.0 1.5 4.0 230 229 p 20 LYS HA p 23 ALA HB% 1.0 1.5 4.0 231 230 p 17 ALA HA p 20 LYS H 1.0 1.5 3.5 232 231 p 21 GLU H p 21 GLU HA 1.0 1.5 3.3 233 232 p 21 GLU HBy p 21 GLU H 1.0 1.5 3.3 234 233 p 21 GLU HBx p 21 GLU H 1.0 1.5 3.3 235 234 p 21 GLU H p 21 GLU HG3 1.0 1.5 4.0 236 235 p 21 GLU H p 21 GLU HG2 1.0 1.5 4.0 237 236 p 20 LYS H p 21 GLU H 1.0 1.5 2.7 238 237 p 20 LYS HA p 21 GLU H 1.0 1.5 3.3 239 238 p 20 LYS HB3 p 21 GLU H 1.0 1.5 3.3 240 239 p 20 LYS HB2 p 21 GLU H 1.0 1.5 4.0 241 240 p 18 LEU H p 21 GLU H 1.0 1.5 3.5 242 241 p 18 LEU HA p 21 GLU H 1.0 1.5 3.5 243 242 p 22 LEU H p 22 LEU HA 1.0 1.5 3.3 244 243 p 22 LEU H p 22 LEU HBy 1.0 1.5 3.3 245 244 p 22 LEU H p 22 LEU HBx 1.0 1.5 3.3 246 245 p 22 LEU H p 22 LEU HDx% 1.0 1.5 4.0 247 246 p 22 LEU H p 22 LEU HD21 1.0 1.5 4.0 248 247 p 21 GLU H p 22 LEU H 1.0 1.5 2.7 249 248 p 21 GLU HA p 22 LEU H 1.0 1.5 3.3 250 249 p 21 GLU HBy p 22 LEU H 1.0 1.5 3.3 251 250 p 21 GLU HBx p 22 LEU H 1.0 1.5 4.0 252 251 p 21 GLU HG3 p 22 LEU H 1.0 1.5 4.0 253 252 p 21 GLU HG2 p 22 LEU H 1.0 1.5 4.0 254 253 p 19 GLU H p 22 LEU H 1.0 1.5 3.5 255 254 p 19 GLU HA p 22 LEU H 1.0 1.5 3.5 256 255 p 22 LEU HDx% p 64 LEU HD1% 1.0 1.5 4.7 257 256 p 23 ALA H p 23 ALA HA 1.0 1.5 3.3 258 257 p 23 ALA HB% p 23 ALA H 1.0 1.5 3.3 259 258 p 22 LEU H p 23 ALA H 1.0 1.5 2.7 260 259 p 22 LEU HA p 23 ALA H 1.0 1.5 3.3 261 260 p 22 LEU HBy p 23 ALA H 1.0 1.5 3.3 262 261 p 22 LEU HBx p 23 ALA H 1.0 1.5 4.0 263 262 p 22 LEU HDx% p 23 ALA H 1.0 1.5 4.0 264 263 p 22 LEU HD21 p 23 ALA H 1.0 1.5 4.0 265 264 p 23 ALA HA p 26 GLU HBy 1.0 1.5 4.0 266 265 p 23 ALA HA p 26 GLU HBx 1.0 1.5 3.3 267 266 p 20 LYS H p 23 ALA H 1.0 1.5 3.5 268 267 p 20 LYS HA p 23 ALA H 1.0 1.5 3.5 269 268 p 24 GLN H p 24 GLN HA 1.0 1.5 3.3 270 269 p 24 GLN H p 24 GLN HB3 1.0 1.5 3.3 271 270 p 24 GLN H p 24 GLN HB2 1.0 1.5 3.3 272 271 p 24 GLN H p 24 GLN HGy 1.0 1.5 4.0 273 272 p 24 GLN H p 24 GLN HGx 1.0 1.5 4.0 274 273 p 23 ALA H p 24 GLN H 1.0 1.5 2.7 275 274 p 23 ALA HA p 24 GLN H 1.0 1.5 3.3 276 275 p 23 ALA HB% p 24 GLN H 1.0 1.5 4.0 277 276 p 21 GLU H p 24 GLN H 1.0 1.5 3.5 278 277 p 24 GLN HA p 27 LYS HBy 1.0 1.5 3.3 279 278 p 24 GLN HA p 27 LYS HBx 1.0 1.5 3.3 280 279 p 25 LEU H p 25 LEU HA 1.0 1.5 3.3 281 280 p 25 LEU H p 25 LEU HBy 1.0 1.5 3.3 282 281 p 25 LEU H p 25 LEU HBx 1.0 1.5 3.3 283 282 p 25 LEU H p 25 LEU HDx% 1.0 1.5 4.0 284 283 p 25 LEU H p 25 LEU HD21 1.0 1.5 4.0 285 284 p 24 GLN H p 25 LEU H 1.0 1.5 2.7 286 285 p 24 GLN HA p 25 LEU H 1.0 1.5 3.3 287 286 p 24 GLN HB3 p 25 LEU H 1.0 1.5 3.3 288 287 p 24 GLN HB2 p 25 LEU H 1.0 1.5 4.0 289 288 p 24 GLN HGy p 25 LEU H 1.0 1.5 4.0 290 289 p 24 GLN HGx p 25 LEU H 1.0 1.5 4.0 291 290 p 23 ALA H p 25 LEU H 1.0 1.5 4.0 292 291 p 25 LEU HA p 28 GLU HBy 1.0 1.5 4.0 293 292 p 25 LEU HA p 28 GLU HBx 1.0 1.5 3.3 294 293 p 25 LEU HDx% p 53 LEU HB3 1.0 1.5 4.7 295 294 p 25 LEU HG p 53 LEU HD1% 1.0 1.5 4.7 296 295 p 26 GLU H p 26 GLU HA 1.0 1.5 3.3 297 296 p 26 GLU HBy p 26 GLU H 1.0 1.5 3.3 298 297 p 26 GLU HBx p 26 GLU H 1.0 1.5 4.0 299 298 p 26 GLU H p 26 GLU HG3 1.0 1.5 4.0 300 299 p 26 GLU H p 26 GLU HG2 1.0 1.5 4.0 301 300 p 25 LEU H p 26 GLU H 1.0 1.5 2.7 302 301 p 25 LEU HA p 26 GLU H 1.0 1.5 3.3 303 302 p 25 LEU HBy p 26 GLU H 1.0 1.5 3.3 304 303 p 25 LEU HBx p 26 GLU H 1.0 1.5 3.3 305 304 p 25 LEU HDx% p 26 GLU H 1.0 1.5 4.0 306 305 p 25 LEU HD21 p 26 GLU H 1.0 1.5 4.0 307 306 p 27 LYS H p 27 LYS HA 1.0 1.5 3.3 308 307 p 27 LYS HBy p 27 LYS H 1.0 1.5 4.0 309 308 p 27 LYS HBx p 27 LYS H 1.0 1.5 3.3 310 309 p 27 LYS H p 27 LYS HGy 1.0 1.5 4.0 311 310 p 27 LYS H p 27 LYS HGx 1.0 1.5 4.0 312 311 p 26 GLU H p 27 LYS H 1.0 1.5 2.7 313 312 p 26 GLU HA p 27 LYS H 1.0 1.5 3.3 314 313 p 26 GLU HBy p 27 LYS H 1.0 1.5 4.0 315 314 p 26 GLU HBx p 27 LYS H 1.0 1.5 3.3 316 315 p 26 GLU HG3 p 27 LYS H 1.0 1.5 4.0 317 316 p 26 GLU HG2 p 27 LYS H 1.0 1.5 4.0 318 317 p 24 GLN H p 27 LYS H 1.0 1.5 3.5 319 318 p 28 GLU H p 28 GLU HA 1.0 1.5 3.3 320 319 p 28 GLU HBy p 28 GLU H 1.0 1.5 4.0 321 320 p 28 GLU HBx p 28 GLU H 1.0 1.5 3.3 322 321 p 28 GLU H p 28 GLU HG3 1.0 1.5 4.0 323 322 p 28 GLU H p 28 GLU HG2 1.0 1.5 4.0 324 323 p 27 LYS H p 28 GLU H 1.0 1.5 2.7 325 324 p 27 LYS HA p 28 GLU H 1.0 1.5 3.3 326 325 p 27 LYS HBy p 28 GLU H 1.0 1.5 4.0 327 326 p 27 LYS HBx p 28 GLU H 1.0 1.5 3.3 328 327 p 28 GLU HA p 31 ALA HB% 1.0 1.5 4.0 329 328 p 25 LEU H p 28 GLU H 1.0 1.5 3.5 330 329 p 25 LEU HA p 28 GLU H 1.0 1.5 3.5 331 330 p 29 LEU H p 29 LEU HA 1.0 1.5 3.3 332 331 p 29 LEU H p 29 LEU HBy 1.0 1.5 4.0 333 332 p 29 LEU H p 29 LEU HBx 1.0 1.5 3.3 334 333 p 29 LEU H p 29 LEU HD1% 1.0 1.5 4.0 335 334 p 29 LEU H p 29 LEU HD2% 1.0 1.5 4.0 336 335 p 28 GLU H p 29 LEU H 1.0 1.5 2.7 337 336 p 28 GLU HA p 29 LEU H 1.0 1.5 3.3 338 337 p 28 GLU HBy p 29 LEU H 1.0 1.5 4.0 339 338 p 28 GLU HBx p 29 LEU H 1.0 1.5 3.3 340 339 p 28 GLU HG3 p 29 LEU H 1.0 1.5 4.0 341 340 p 28 GLU HG2 p 29 LEU H 1.0 1.5 4.0 342 341 p 26 GLU H p 29 LEU H 1.0 1.5 3.5 343 342 p 26 GLU HA p 29 LEU H 1.0 1.5 4.0 344 343 p 29 LEU HD1% p 57 LEU HD21 1.0 1.5 4.7 345 344 p 30 GLN H p 30 GLN HA 1.0 1.5 3.3 346 345 p 30 GLN H p 30 GLN HB3 1.0 1.5 3.3 347 346 p 30 GLN H p 30 GLN HB2 1.0 1.5 3.3 348 347 p 30 GLN H p 30 GLN HG3 1.0 1.5 4.0 349 348 p 30 GLN H p 30 GLN HG2 1.0 1.5 4.0 350 349 p 29 LEU H p 30 GLN H 1.0 1.5 2.7 351 350 p 29 LEU HA p 30 GLN H 1.0 1.5 3.3 352 351 p 29 LEU HBy p 30 GLN H 1.0 1.5 4.0 353 352 p 29 LEU HBx p 30 GLN H 1.0 1.5 3.3 354 353 p 29 LEU HD1% p 30 GLN H 1.0 1.5 4.0 355 354 p 29 LEU HD2% p 30 GLN H 1.0 1.5 4.0 356 355 p 27 LYS H p 30 GLN H 1.0 1.5 3.3 357 356 p 31 ALA H p 31 ALA HA 1.0 1.5 3.3 358 357 p 31 ALA HB% p 31 ALA H 1.0 1.5 3.3 359 358 p 30 GLN H p 31 ALA H 1.0 1.5 2.7 360 359 p 30 GLN HA p 31 ALA H 1.0 1.5 3.3 361 360 p 30 GLN HB3 p 31 ALA H 1.0 1.5 3.3 362 361 p 30 GLN HB2 p 31 ALA H 1.0 1.5 4.0 363 362 p 30 GLN HG3 p 31 ALA H 1.0 1.5 4.0 364 363 p 30 GLN HG2 p 31 ALA H 1.0 1.5 4.0 365 364 p 31 ALA H p 32 TRP H 1.0 1.5 2.7 366 365 p 33 ASN H p 32 TRP HA 1.0 1.5 4.0 367 366 p 37 ASP H p 37 ASP HA 1.0 1.5 4.0 368 367 p 39 GLU H p 39 GLU HGy 1.0 1.5 4.0 369 368 p 39 GLU H p 39 GLU HGx 1.0 1.5 4.0 370 369 p 41 CYS H p 41 CYS HB3 1.0 1.5 4.0 371 370 p 41 CYS H p 41 CYS HB2 1.0 1.5 4.0 372 371 p 42 SER H p 42 SER HB3 1.0 1.5 4.0 373 372 p 42 SER H p 42 SER HB2 1.0 1.5 4.0 374 373 p 45 ALA H p 45 ALA HA 1.0 1.5 4.0 375 374 p 45 ALA H p 45 ALA HB% 1.0 1.5 4.0 376 375 p 47 LEU H p 47 LEU HA 1.0 1.5 4.0 377 376 p 47 LEU H p 47 LEU HB3 1.0 1.5 4.0 378 377 p 47 LEU H p 47 LEU HB2 1.0 1.5 3.3 379 378 p 47 LEU H p 47 LEU HDx% 1.0 1.5 4.0 380 379 p 47 LEU H p 47 LEU HD21 1.0 1.5 4.0 381 380 p 47 LEU H p 46 PRO HA 1.0 1.5 4.0 382 381 p 47 LEU H p 46 PRO HB3 1.0 1.5 3.3 383 382 p 46 PRO HB2 p 47 LEU H 1.0 1.5 3.3 384 383 p 48 TYR H p 48 TYR HA 1.0 1.5 4.0 385 384 p 48 TYR H p 48 TYR HB3 1.0 1.5 4.0 386 385 p 48 TYR H p 48 TYR HB2 1.0 1.5 3.3 387 386 p 48 TYR H p 47 LEU HA 1.0 1.5 3.3 388 387 p 48 TYR H p 47 LEU HB3 1.0 1.5 4.0 389 388 p 48 TYR H p 47 LEU HB2 1.0 1.5 3.3 390 389 p 50 ASP H p 50 ASP HA 1.0 1.5 4.0 391 390 p 50 ASP H p 49 SER HB3 1.0 1.5 4.0 392 391 p 50 ASP H p 49 SER HB2 1.0 1.5 4.0 393 392 p 51 GLN H p 51 GLN HA 1.0 1.5 4.0 394 393 p 52 ALA H p 52 ALA HA 1.0 1.5 4.0 395 394 p 52 ALA HB% p 52 ALA H 1.0 1.5 3.3 396 395 p 53 LEU H p 53 LEU HA 1.0 1.5 3.3 397 396 p 53 LEU HB3 p 53 LEU H 1.0 1.5 3.3 398 397 p 53 LEU H p 53 LEU HB2 1.0 1.5 3.3 399 398 p 53 LEU HD1% p 53 LEU H 1.0 1.5 4.0 400 399 p 53 LEU H p 53 LEU HD2% 1.0 1.5 4.0 401 400 p 52 ALA HA p 53 LEU H 1.0 1.5 3.3 402 401 p 52 ALA HB% p 53 LEU H 1.0 1.5 3.3 403 402 p 54 LYS H p 54 LYS HA 1.0 1.5 3.3 404 403 p 54 LYS H p 54 LYS HBy 1.0 1.5 4.0 405 404 p 54 LYS H p 54 LYS HBx 1.0 1.5 3.3 406 405 p 54 LYS H p 54 LYS HG3 1.0 1.5 4.0 407 406 p 54 LYS H p 54 LYS HG2 1.0 1.5 4.0 408 407 p 53 LEU H p 54 LYS H 1.0 1.5 2.7 409 408 p 53 LEU HA p 54 LYS H 1.0 1.5 3.3 410 409 p 53 LEU HB3 p 54 LYS H 1.0 1.5 3.3 411 410 p 53 LEU HB2 p 54 LYS H 1.0 1.5 4.0 412 411 p 53 LEU HD1% p 54 LYS H 1.0 1.5 4.0 413 412 p 53 LEU HD2% p 54 LYS H 1.0 1.5 4.0 414 413 p 54 LYS HA p 57 LEU HB3 1.0 1.5 3.3 415 414 p 54 LYS HA p 57 LEU HB2 1.0 1.5 3.3 416 415 p 55 LYS H p 55 LYS HA 1.0 1.5 3.3 417 416 p 55 LYS H p 55 LYS HBy 1.0 1.5 3.3 418 417 p 55 LYS H p 55 LYS HBx 1.0 1.5 3.3 419 418 p 55 LYS H p 55 LYS HGy 1.0 1.5 4.0 420 419 p 55 LYS H p 55 LYS HGx 1.0 1.5 4.0 421 420 p 54 LYS H p 55 LYS H 1.0 1.5 2.7 422 421 p 54 LYS HA p 55 LYS H 1.0 1.5 3.3 423 422 p 54 LYS HBy p 55 LYS H 1.0 1.5 4.0 424 423 p 54 LYS HBx p 55 LYS H 1.0 1.5 3.3 425 424 p 55 LYS HA p 58 ALA HB% 1.0 1.5 3.3 426 425 p 56 LYS H p 56 LYS HA 1.0 1.5 3.3 427 426 p 56 LYS H p 56 LYS HBy 1.0 1.5 4.0 428 427 p 56 LYS H p 56 LYS HBx 1.0 1.5 3.3 429 428 p 56 LYS H p 56 LYS HGy 1.0 1.5 4.0 430 429 p 56 LYS H p 56 LYS HGx 1.0 1.5 4.0 431 430 p 55 LYS H p 56 LYS H 1.0 1.5 2.7 432 431 p 55 LYS HA p 56 LYS H 1.0 1.5 3.3 433 432 p 55 LYS HBy p 56 LYS H 1.0 1.5 3.3 434 433 p 55 LYS HBx p 56 LYS H 1.0 1.5 4.0 435 434 p 53 LEU H p 56 LYS H 1.0 1.5 3.5 436 435 p 53 LEU HA p 56 LYS H 1.0 1.5 3.5 437 436 p 56 LYS HA p 59 GLN HB3 1.0 1.5 3.3 438 437 p 56 LYS HA p 59 GLN HB2 1.0 1.5 3.3 439 438 p 57 LEU H p 57 LEU HA 1.0 1.5 3.3 440 439 p 57 LEU HB3 p 57 LEU H 1.0 1.5 3.3 441 440 p 57 LEU HB2 p 57 LEU H 1.0 1.5 4.0 442 441 p 57 LEU H p 57 LEU HDx% 1.0 1.5 4.0 443 442 p 57 LEU HD21 p 57 LEU H 1.0 1.5 4.0 444 443 p 56 LYS H p 57 LEU H 1.0 1.5 2.7 445 444 p 56 LYS HA p 57 LEU H 1.0 1.5 3.3 446 445 p 56 LYS HBy p 57 LEU H 1.0 1.5 4.0 447 446 p 56 LYS HBx p 57 LEU H 1.0 1.5 3.3 448 447 p 58 ALA H p 58 ALA HA 1.0 1.5 3.3 449 448 p 58 ALA HB% p 58 ALA H 1.0 1.5 3.3 450 449 p 57 LEU H p 58 ALA H 1.0 1.5 2.7 451 450 p 57 LEU HA p 58 ALA H 1.0 1.5 3.3 452 451 p 57 LEU HB3 p 58 ALA H 1.0 1.5 3.3 453 452 p 57 LEU HB2 p 58 ALA H 1.0 1.5 4.0 454 453 p 57 LEU HDx% p 58 ALA H 1.0 1.5 4.0 455 454 p 57 LEU HD21 p 58 ALA H 1.0 1.5 4.0 456 455 p 55 LYS H p 58 ALA H 1.0 1.5 3.5 457 456 p 55 LYS HA p 58 ALA H 1.0 1.5 3.5 458 457 p 58 ALA HA p 61 LYS HBy 1.0 1.5 3.3 459 458 p 58 ALA HA p 61 LYS HBx 1.0 1.5 3.3 460 459 p 59 GLN H p 59 GLN HA 1.0 1.5 3.3 461 460 p 59 GLN HB3 p 59 GLN H 1.0 1.5 3.3 462 461 p 59 GLN HB2 p 59 GLN H 1.0 1.5 3.3 463 462 p 59 GLN H p 59 GLN HGy 1.0 1.5 4.0 464 463 p 59 GLN H p 59 GLN HGx 1.0 1.5 4.0 465 464 p 58 ALA H p 59 GLN H 1.0 1.5 2.7 466 465 p 58 ALA HA p 59 GLN H 1.0 1.5 3.3 467 466 p 58 ALA HB% p 59 GLN H 1.0 1.5 3.3 468 467 p 56 LYS HA p 59 GLN H 1.0 1.5 3.5 469 468 p 59 GLN HA p 62 TRP HB3 1.0 1.5 3.3 470 469 p 59 GLN HA p 62 TRP HB2 1.0 1.5 3.3 471 470 p 60 LEU H p 60 LEU HA 1.0 1.5 3.3 472 471 p 60 LEU H p 60 LEU HBy 1.0 1.5 3.3 473 472 p 60 LEU H p 60 LEU HBx 1.0 1.5 3.3 474 473 p 60 LEU HD1% p 60 LEU H 1.0 1.5 4.0 475 474 p 60 LEU H p 60 LEU HD2% 1.0 1.5 4.0 476 475 p 59 GLN H p 60 LEU H 1.0 1.5 2.7 477 476 p 59 GLN HA p 60 LEU H 1.0 1.5 3.3 478 477 p 59 GLN HB3 p 60 LEU H 1.0 1.5 3.3 479 478 p 59 GLN HB2 p 60 LEU H 1.0 1.5 4.0 480 479 p 59 GLN HGy p 60 LEU H 1.0 1.5 4.0 481 480 p 59 GLN HGx p 60 LEU H 1.0 1.5 4.0 482 481 p 57 LEU H p 60 LEU H 1.0 1.5 3.5 483 482 p 57 LEU HA p 60 LEU H 1.0 1.5 3.5 484 483 p 60 LEU HA p 63 LYS HB3 1.0 1.5 3.3 485 484 p 60 LEU HA p 63 LYS HB2 1.0 1.5 4.0 486 485 p 61 LYS H p 61 LYS HA 1.0 1.5 3.3 487 486 p 61 LYS HBy p 61 LYS H 1.0 1.5 3.3 488 487 p 61 LYS HBx p 61 LYS H 1.0 1.5 3.3 489 488 p 61 LYS H p 61 LYS HG3 1.0 1.5 4.0 490 489 p 61 LYS H p 61 LYS HG2 1.0 1.5 4.0 491 490 p 60 LEU HA p 61 LYS H 1.0 1.5 3.3 492 491 p 60 LEU HBy p 61 LYS H 1.0 1.5 3.3 493 492 p 60 LEU HBx p 61 LYS H 1.0 1.5 4.0 494 493 p 60 LEU HD1% p 61 LYS H 1.0 1.5 4.0 495 494 p 60 LEU HD2% p 61 LYS H 1.0 1.5 4.0 496 495 p 62 TRP H p 62 TRP HA 1.0 1.5 3.3 497 496 p 62 TRP HB3 p 62 TRP H 1.0 1.5 4.0 498 497 p 62 TRP HB2 p 62 TRP H 1.0 1.5 3.3 499 498 p 61 LYS H p 62 TRP H 1.0 1.5 2.7 500 499 p 61 LYS HA p 62 TRP H 1.0 1.5 3.3 501 500 p 61 LYS HBy p 62 TRP H 1.0 1.5 3.3 502 501 p 61 LYS HBx p 62 TRP H 1.0 1.5 4.0 503 502 p 59 GLN HA p 62 TRP H 1.0 1.5 3.3 504 503 p 63 LYS H p 63 LYS HA 1.0 1.5 3.3 505 504 p 63 LYS HB3 p 63 LYS H 1.0 1.5 4.0 506 505 p 63 LYS HB2 p 63 LYS H 1.0 1.5 3.3 507 506 p 63 LYS H p 63 LYS HGy 1.0 1.5 4.0 508 507 p 63 LYS H p 63 LYS HGx 1.0 1.5 4.0 509 508 p 62 TRP H p 63 LYS H 1.0 1.5 2.7 510 509 p 62 TRP HA p 63 LYS H 1.0 1.5 3.3 511 510 p 62 TRP HB3 p 63 LYS H 1.0 1.5 3.3 512 511 p 62 TRP HB2 p 63 LYS H 1.0 1.5 3.3 513 512 p 61 LYS H p 63 LYS H 1.0 1.5 4.0 514 513 p 60 LEU H p 63 LYS H 1.0 1.5 3.5 515 514 p 60 LEU HA p 63 LYS H 1.0 1.5 3.5 516 515 p 63 LYS HA p 66 ALA HB% 1.0 1.5 3.3 517 516 p 64 LEU H p 64 LEU HA 1.0 1.5 3.3 518 517 p 64 LEU H p 64 LEU HB3 1.0 1.5 3.3 519 518 p 64 LEU H p 64 LEU HB2 1.0 1.5 3.3 520 519 p 64 LEU HD1% p 64 LEU H 1.0 1.5 4.0 521 520 p 64 LEU H p 64 LEU HD2% 1.0 1.5 4.0 522 521 p 63 LYS H p 64 LEU H 1.0 1.5 2.7 523 522 p 63 LYS HA p 64 LEU H 1.0 1.5 3.3 524 523 p 63 LYS HB3 p 64 LEU H 1.0 1.5 4.0 525 524 p 63 LYS HB2 p 64 LEU H 1.0 1.5 3.3 526 525 p 62 TRP H p 64 LEU H 1.0 1.5 4.0 527 526 p 61 LYS H p 64 LEU H 1.0 1.5 3.5 528 527 p 65 GLN H p 65 GLN HA 1.0 1.5 3.3 529 528 p 65 GLN H p 65 GLN HB3 1.0 1.5 3.3 530 529 p 65 GLN H p 65 GLN HB2 1.0 1.5 3.3 531 530 p 65 GLN H p 65 GLN HGy 1.0 1.5 4.0 532 531 p 65 GLN H p 65 GLN HGx 1.0 1.5 4.0 533 532 p 64 LEU H p 65 GLN H 1.0 1.5 2.7 534 533 p 64 LEU HA p 65 GLN H 1.0 1.5 3.3 535 534 p 64 LEU HB3 p 65 GLN H 1.0 1.5 3.3 536 535 p 64 LEU HB2 p 65 GLN H 1.0 1.5 4.0 537 536 p 64 LEU HD1% p 65 GLN H 1.0 1.5 4.0 538 537 p 64 LEU HD2% p 65 GLN H 1.0 1.5 4.0 539 538 p 63 LYS H p 65 GLN H 1.0 1.5 4.0 540 539 p 66 ALA H p 66 ALA HA 1.0 1.5 3.3 541 540 p 66 ALA HB% p 66 ALA H 1.0 1.5 3.3 542 541 p 65 GLN H p 66 ALA H 1.0 1.5 2.7 543 542 p 65 GLN HA p 66 ALA H 1.0 1.5 3.3 544 543 p 65 GLN HB3 p 66 ALA H 1.0 1.5 3.3 545 544 p 65 GLN HB2 p 66 ALA H 1.0 1.5 4.0 546 545 p 65 GLN HGy p 66 ALA H 1.0 1.5 4.0 547 546 p 65 GLN HGx p 66 ALA H 1.0 1.5 4.0 548 547 p 64 LEU H p 66 ALA H 1.0 1.5 4.0 549 548 p 64 LEU HA p 66 ALA H 1.0 1.5 3.5 550 549 p 66 ALA HA p 69 LYS HBy 1.0 1.5 3.3 551 550 p 66 ALA HA p 69 LYS HBx 1.0 1.5 3.3 552 551 p 67 LEU H p 67 LEU HA 1.0 1.5 3.3 553 552 p 67 LEU H p 67 LEU HB3 1.0 1.5 3.3 554 553 p 67 LEU H p 67 LEU HB2 1.0 1.5 3.3 555 554 p 67 LEU H p 67 LEU HD1% 1.0 1.5 4.0 556 555 p 67 LEU H p 67 LEU HD2% 1.0 1.5 4.0 557 556 p 66 ALA H p 67 LEU H 1.0 1.5 2.7 558 557 p 66 ALA HA p 67 LEU H 1.0 1.5 3.3 559 558 p 66 ALA HB% p 67 LEU H 1.0 1.5 3.3 560 559 p 67 LEU HA p 70 LYS HBy 1.0 1.5 3.3 561 560 p 67 LEU HA p 70 LYS HBx 1.0 1.5 3.3 562 561 p 64 LEU H p 67 LEU H 1.0 1.5 3.5 563 562 p 64 LEU HA p 67 LEU H 1.0 1.5 3.5 564 563 p 68 LYS H p 68 LYS HA 1.0 1.5 3.3 565 564 p 68 LYS H p 68 LYS HBy 1.0 1.5 4.0 566 565 p 68 LYS H p 68 LYS HBx 1.0 1.5 3.3 567 566 p 68 LYS H p 68 LYS HGy 1.0 1.5 4.0 568 567 p 68 LYS H p 68 LYS HGx 1.0 1.5 4.0 569 568 p 67 LEU H p 68 LYS H 1.0 1.5 2.7 570 569 p 67 LEU HA p 68 LYS H 1.0 1.5 3.3 571 570 p 67 LEU HB3 p 68 LYS H 1.0 1.5 3.3 572 571 p 67 LEU HB2 p 68 LYS H 1.0 1.5 4.0 573 572 p 67 LEU HD1% p 68 LYS H 1.0 1.5 3.3 574 573 p 67 LEU HD2% p 68 LYS H 1.0 1.5 3.3 575 574 p 65 GLN H p 68 LYS H 1.0 1.5 3.3 576 575 p 69 LYS H p 69 LYS HA 1.0 1.5 3.3 577 576 p 69 LYS HBy p 69 LYS H 1.0 1.5 3.3 578 577 p 69 LYS HBx p 69 LYS H 1.0 1.5 3.3 579 578 p 69 LYS H p 69 LYS HGy 1.0 1.5 4.0 580 579 p 69 LYS H p 69 LYS HGx 1.0 1.5 4.0 581 580 p 68 LYS H p 69 LYS H 1.0 1.5 2.7 582 581 p 68 LYS HA p 69 LYS H 1.0 1.5 3.3 583 582 p 68 LYS HBy p 69 LYS H 1.0 1.5 4.0 584 583 p 68 LYS HBx p 69 LYS H 1.0 1.5 3.3 585 584 p 69 LYS HA p 72 ALA HB% 1.0 1.5 3.3 586 585 p 66 ALA H p 69 LYS H 1.0 1.5 3.5 587 586 p 66 ALA HA p 69 LYS H 1.0 1.5 3.5 588 587 p 70 LYS H p 70 LYS HA 1.0 1.5 3.3 589 588 p 70 LYS HBy p 70 LYS H 1.0 1.5 3.3 590 589 p 70 LYS HBx p 70 LYS H 1.0 1.5 3.3 591 590 p 70 LYS H p 70 LYS HG3 1.0 1.5 4.0 592 591 p 70 LYS H p 70 LYS HG2 1.0 1.5 4.0 593 592 p 69 LYS H p 70 LYS H 1.0 1.5 2.7 594 593 p 69 LYS HA p 70 LYS H 1.0 1.5 3.3 595 594 p 69 LYS HBy p 70 LYS H 1.0 1.5 4.0 596 595 p 69 LYS HBx p 70 LYS H 1.0 1.5 3.3 597 596 p 68 LYS H p 70 LYS H 1.0 1.5 4.0 598 597 p 67 LEU H p 70 LYS H 1.0 1.5 3.5 599 598 p 67 LEU HA p 70 LYS H 1.0 1.5 3.5 600 599 p 70 LYS HA p 73 GLN HB3 1.0 1.5 3.3 601 600 p 70 LYS HA p 73 GLN HB2 1.0 1.5 3.3 602 601 p 71 ASN H p 71 ASN HA 1.0 1.5 3.3 603 602 p 71 ASN H p 71 ASN HB3 1.0 1.5 3.3 604 603 p 71 ASN H p 71 ASN HB2 1.0 1.5 3.3 605 604 p 70 LYS H p 71 ASN H 1.0 1.5 2.7 606 605 p 70 LYS HA p 71 ASN H 1.0 1.5 3.3 607 606 p 70 LYS HBy p 71 ASN H 1.0 1.5 3.3 608 607 p 70 LYS HBx p 71 ASN H 1.0 1.5 4.0 609 608 p 69 LYS H p 71 ASN H 1.0 1.5 4.0 610 609 p 68 LYS H p 71 ASN H 1.0 1.5 3.5 611 610 p 71 ASN HA p 74 LEU HB3 1.0 1.5 3.3 612 611 p 71 ASN HA p 74 LEU HB2 1.0 1.5 3.3 613 612 p 72 ALA H p 72 ALA HA 1.0 1.5 3.3 614 613 p 72 ALA HB% p 72 ALA H 1.0 1.5 3.3 615 614 p 71 ASN H p 72 ALA H 1.0 1.5 2.7 616 615 p 71 ASN HA p 72 ALA H 1.0 1.5 3.3 617 616 p 71 ASN HB3 p 72 ALA H 1.0 1.5 3.3 618 617 p 71 ASN HB2 p 72 ALA H 1.0 1.5 4.0 619 618 p 69 LYS HA p 72 ALA H 1.0 1.5 3.3 620 619 p 72 ALA HA p 75 LYS HBy 1.0 1.5 3.3 621 620 p 72 ALA HA p 75 LYS HBx 1.0 1.5 3.3 622 621 p 73 GLN H p 73 GLN HA 1.0 1.5 3.3 623 622 p 73 GLN HB3 p 73 GLN H 1.0 1.5 3.3 624 623 p 73 GLN HB2 p 73 GLN H 1.0 1.5 3.3 625 624 p 73 GLN H p 73 GLN HG3 1.0 1.5 4.0 626 625 p 73 GLN H p 73 GLN HG2 1.0 1.5 4.0 627 626 p 72 ALA H p 73 GLN H 1.0 1.5 2.7 628 627 p 72 ALA HA p 73 GLN H 1.0 1.5 3.3 629 628 p 72 ALA HB% p 73 GLN H 1.0 1.5 3.3 630 629 p 70 LYS H p 73 GLN H 1.0 1.5 3.5 631 630 p 74 LEU H p 74 LEU HA 1.0 1.5 3.3 632 631 p 74 LEU HB3 p 74 LEU H 1.0 1.5 3.3 633 632 p 74 LEU HB2 p 74 LEU H 1.0 1.5 3.3 634 633 p 74 LEU HD1% p 74 LEU H 1.0 1.5 4.0 635 634 p 74 LEU HD2% p 74 LEU H 1.0 1.5 4.0 636 635 p 73 GLN H p 74 LEU H 1.0 1.5 2.7 637 636 p 73 GLN HA p 74 LEU H 1.0 1.5 3.3 638 637 p 73 GLN HB3 p 74 LEU H 1.0 1.5 4.0 639 638 p 73 GLN HB2 p 74 LEU H 1.0 1.5 3.3 640 639 p 73 GLN HG3 p 74 LEU H 1.0 1.5 4.0 641 640 p 73 GLN HG2 p 74 LEU H 1.0 1.5 4.0 642 641 p 72 ALA H p 74 LEU H 1.0 1.5 4.0 643 642 p 71 ASN H p 74 LEU H 1.0 1.5 3.5 644 643 p 71 ASN HA p 74 LEU H 1.0 1.5 3.5 645 644 p 74 LEU HA p 77 LYS HB3 1.0 1.5 3.3 646 645 p 74 LEU HA p 77 LYS HB2 1.0 1.5 3.3 647 646 p 75 LYS H p 75 LYS HA 1.0 1.5 3.3 648 647 p 75 LYS HBy p 75 LYS H 1.0 1.5 3.3 649 648 p 75 LYS HBx p 75 LYS H 1.0 1.5 3.3 650 649 p 75 LYS H p 75 LYS HGy 1.0 1.5 4.0 651 650 p 75 LYS H p 75 LYS HGx 1.0 1.5 4.0 652 651 p 74 LEU H p 75 LYS H 1.0 1.5 2.7 653 652 p 74 LEU HA p 75 LYS H 1.0 1.5 3.3 654 653 p 74 LEU HB3 p 75 LYS H 1.0 1.5 3.3 655 654 p 74 LEU HB2 p 75 LYS H 1.0 1.5 4.0 656 655 p 72 ALA H p 75 LYS H 1.0 1.5 3.5 657 656 p 72 ALA HA p 75 LYS H 1.0 1.5 3.5 658 657 p 73 GLN H p 75 LYS H 1.0 1.5 4.0 659 658 p 73 GLN HA p 75 LYS H 1.0 1.5 4.0 660 659 p 75 LYS HA p 78 LEU HBy 1.0 1.5 3.3 661 660 p 75 LYS HA p 78 LEU HBx 1.0 1.5 3.3 662 661 p 76 LYS H p 76 LYS HA 1.0 1.5 3.3 663 662 p 76 LYS H p 76 LYS HBy 1.0 1.5 3.3 664 663 p 76 LYS H p 76 LYS HBx 1.0 1.5 3.3 665 664 p 76 LYS H p 76 LYS HGy 1.0 1.5 4.0 666 665 p 76 LYS H p 76 LYS HGx 1.0 1.5 4.0 667 666 p 75 LYS H p 76 LYS H 1.0 1.5 2.7 668 667 p 75 LYS HA p 76 LYS H 1.0 1.5 3.3 669 668 p 75 LYS HBy p 76 LYS H 1.0 1.5 3.3 670 669 p 75 LYS HBx p 76 LYS H 1.0 1.5 3.3 671 670 p 73 GLN H p 76 LYS H 1.0 1.5 3.5 672 671 p 74 LEU HA p 76 LYS H 1.0 1.5 4.0 673 672 p 77 LYS H p 77 LYS HA 1.0 1.5 3.3 674 673 p 77 LYS HB3 p 77 LYS H 1.0 1.5 3.3 675 674 p 77 LYS HB2 p 77 LYS H 1.0 1.5 3.3 676 675 p 77 LYS H p 77 LYS HG3 1.0 1.5 4.0 677 676 p 77 LYS H p 77 LYS HG2 1.0 1.5 4.0 678 677 p 76 LYS HA p 77 LYS H 1.0 1.5 3.3 679 678 p 76 LYS HBy p 77 LYS H 1.0 1.5 3.3 680 679 p 76 LYS HBx p 77 LYS H 1.0 1.5 4.0 681 680 p 75 LYS H p 77 LYS H 1.0 1.5 4.0 682 681 p 74 LEU H p 77 LYS H 1.0 1.5 3.5 683 682 p 74 LEU HA p 77 LYS H 1.0 1.5 3.5 684 683 p 78 LEU H p 78 LEU HA 1.0 1.5 3.3 685 684 p 78 LEU HBy p 78 LEU H 1.0 1.5 3.3 686 685 p 78 LEU HBx p 78 LEU H 1.0 1.5 3.3 687 686 p 78 LEU HD1% p 78 LEU H 1.0 1.5 4.0 688 687 p 78 LEU HD2% p 78 LEU H 1.0 1.5 4.0 689 688 p 77 LYS HA p 78 LEU H 1.0 1.5 3.3 690 689 p 77 LYS HB3 p 78 LEU H 1.0 1.5 4.0 691 690 p 77 LYS HB2 p 78 LEU H 1.0 1.5 3.3 692 691 p 75 LYS H p 78 LEU H 1.0 1.5 3.5 693 692 p 75 LYS HA p 78 LEU H 1.0 1.5 3.5 694 693 p 79 GLN H p 79 GLN HA 1.0 1.5 3.3 695 694 p 79 GLN H p 79 GLN HB3 1.0 1.5 3.3 696 695 p 79 GLN H p 79 GLN HB2 1.0 1.5 3.3 697 696 p 79 GLN H p 79 GLN HG3 1.0 1.5 4.0 698 697 p 79 GLN H p 79 GLN HG2 1.0 1.5 4.0 699 698 p 78 LEU HA p 79 GLN H 1.0 1.5 3.3 700 699 p 78 LEU HBy p 79 GLN H 1.0 1.5 3.3 701 700 p 78 LEU HBx p 79 GLN H 1.0 1.5 4.0 702 701 p 78 LEU HD1% p 79 GLN H 1.0 1.5 4.0 703 702 p 78 LEU HD2% p 79 GLN H 1.0 1.5 4.0 704 703 p 80 ALA H p 80 ALA HA 1.0 1.5 3.3 705 704 p 80 ALA H p 80 ALA HB% 1.0 1.5 3.3 706 705 p 79 GLN H p 80 ALA H 1.0 1.5 2.7 707 706 p 79 GLN HA p 80 ALA H 1.0 1.5 3.3 708 707 p 79 GLN HB3 p 80 ALA H 1.0 1.5 4.0 709 708 p 79 GLN HB2 p 80 ALA H 1.0 1.5 3.3 710 709 p 79 GLN HG3 p 80 ALA H 1.0 1.5 4.0 711 710 p 79 GLN HG2 p 80 ALA H 1.0 1.5 4.0 712 711 p 78 LEU H p 80 ALA H 1.0 1.5 4.0 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 p 6 LYS H p 2 GLN O 1.0 1.5 3.1 2 2 p 2 GLN O p 6 LYS N 1.0 2.5 4.0 3 3 p 8 LEU H p 4 LEU O 1.0 1.5 3.1 4 4 p 4 LEU O p 8 LEU N 1.0 2.5 4.0 5 5 p 10 GLN H p 6 LYS O 1.0 1.5 3.1 6 6 p 6 LYS O p 10 GLN N 1.0 2.5 4.0 7 7 p 12 GLU H p 8 LEU O 1.0 1.5 3.1 8 8 p 8 LEU O p 12 GLU N 1.0 2.5 4.0 9 9 p 14 GLU H p 10 GLN O 1.0 1.5 3.1 10 10 p 10 GLN O p 14 GLU N 1.0 2.5 4.0 11 11 p 16 GLN H p 12 GLU O 1.0 1.5 3.1 12 12 p 12 GLU O p 16 GLN N 1.0 2.5 4.0 13 13 p 18 LEU H p 14 GLU O 1.0 1.5 3.1 14 14 p 14 GLU O p 18 LEU N 1.0 2.5 4.0 15 15 p 20 LYS H p 16 GLN O 1.0 1.5 3.1 16 16 p 16 GLN O p 20 LYS N 1.0 2.5 4.0 17 17 p 22 LEU H p 18 LEU O 1.0 1.5 3.1 18 18 p 18 LEU O p 22 LEU N 1.0 2.5 4.0 19 19 p 24 GLN H p 20 LYS O 1.0 1.5 3.1 20 20 p 20 LYS O p 24 GLN N 1.0 2.5 4.0 21 21 p 26 GLU H p 22 LEU O 1.0 1.5 3.1 22 22 p 22 LEU O p 26 GLU N 1.0 2.5 4.0 23 23 p 28 GLU H p 24 GLN O 1.0 1.5 3.1 24 24 p 24 GLN O p 28 GLU N 1.0 2.5 4.0 25 25 p 30 GLN H p 26 GLU O 1.0 1.5 3.1 26 26 p 26 GLU O p 30 GLN N 1.0 2.5 4.0 27 27 p 58 ALA H p 54 LYS O 1.0 1.5 3.1 28 28 p 54 LYS O p 58 ALA N 1.0 2.5 4.0 29 29 p 60 LEU H p 56 LYS O 1.0 1.5 3.1 30 30 p 56 LYS O p 60 LEU N 1.0 2.5 4.0 31 31 p 62 TRP H p 58 ALA O 1.0 1.5 3.1 32 32 p 58 ALA O p 62 TRP N 1.0 2.5 4.0 33 33 p 64 LEU H p 60 LEU O 1.0 1.5 3.1 34 34 p 60 LEU O p 64 LEU N 1.0 2.5 4.0 35 35 p 66 ALA H p 62 TRP O 1.0 1.5 3.1 36 36 p 62 TRP O p 66 ALA N 1.0 2.5 4.0 37 37 p 68 LYS H p 64 LEU O 1.0 1.5 3.1 38 38 p 64 LEU O p 68 LYS N 1.0 2.5 4.0 39 39 p 70 LYS H p 66 ALA O 1.0 1.5 3.1 40 40 p 66 ALA O p 70 LYS N 1.0 2.5 4.0 41 41 p 72 ALA H p 68 LYS O 1.0 1.5 3.1 42 42 p 68 LYS O p 72 ALA N 1.0 2.5 4.0 43 43 p 74 LEU H p 70 LYS O 1.0 1.5 3.1 44 44 p 70 LYS O p 74 LEU N 1.0 2.5 4.0 45 45 p 76 LYS H p 72 ALA O 1.0 1.5 3.1 46 46 p 72 ALA O p 76 LYS N 1.0 2.5 4.0 stop_ save_