data_nef_c15550_2jx8 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 A -4 GLY start . false 2 A -3 PRO middle . false 3 A -2 LEU middle . . 4 A -1 GLY middle . false 5 A 0 SER middle . . 6 A 1 LEU middle . . 7 A 2 PRO middle . false 8 A 3 GLU middle . . 9 A 4 GLU middle . . 10 A 5 LEU middle . . 11 A 6 VAL middle . . 12 A 7 HIS middle . . 13 A 8 ALA middle . . 14 A 9 GLY middle . false 15 A 10 TRP middle . . 16 A 11 GLU middle . . 17 A 12 LYS middle . . 18 A 13 CYS middle . . 19 A 14 TRP middle . . 20 A 15 SER middle . . 21 A 16 ARG middle . . 22 A 17 ARG middle . . 23 A 18 GLU middle . . 24 A 19 ASN middle . . 25 A 20 ARG middle . . 26 A 21 PRO middle . false 27 A 22 TYR middle . . 28 A 23 TYR middle . . 29 A 24 PHE middle . . 30 A 25 ASN middle . . 31 A 26 ARG middle . . 32 A 27 PHE middle . . 33 A 28 THR middle . . 34 A 29 ASN middle . . 35 A 30 GLN middle . . 36 A 31 SER middle . . 37 A 32 LEU middle . . 38 A 33 TRP middle . . 39 A 34 GLU middle . . 40 A 35 MET middle . . 41 A 36 PRO middle . false 42 A 37 VAL middle . . 43 A 38 LEU middle . . 44 A 39 GLY middle . false 45 A 40 GLN middle . . 46 A 41 HIS middle . . 47 A 42 ASP middle . . 48 A 43 VAL middle . . 49 A 44 ILE middle . . 50 A 45 SER middle . . 51 A 46 ASP middle . . 52 A 47 PRO 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 1 LEU H H 1 8.50 0.09 A 1 LEU HA H 1 4.65 0.09 A 1 LEU HB2 H 1 1.67 0.09 A 1 LEU HB3 H 1 1.46 0.09 A 1 LEU HD1% H 1 0.97 0.09 A 1 LEU HD2% H 1 0.94 0.09 A 1 LEU HG H 1 1.82 0.09 A 1 LEU C C 13 174.41 0.60 A 1 LEU CA C 13 52.99 0.60 A 1 LEU CB C 13 43.20 0.60 A 1 LEU CD1 C 13 26.31 0.60 A 1 LEU CD2 C 13 24.86 0.60 A 1 LEU CG C 13 27.19 0.60 A 1 LEU N N 15 123.83 0.54 A 2 PRO HA H 1 4.50 0.09 A 2 PRO HB2 H 1 1.92 0.09 A 2 PRO HB3 H 1 2.55 0.09 A 2 PRO HD2 H 1 3.52 0.09 A 2 PRO HD3 H 1 4.03 0.09 A 2 PRO HG2 H 1 2.06 0.09 A 2 PRO HG3 H 1 2.13 0.09 A 2 PRO C C 13 178.01 0.60 A 2 PRO CA C 13 62.85 0.60 A 2 PRO CB C 13 32.73 0.60 A 2 PRO CD C 13 51.02 0.60 A 2 PRO CG C 13 27.94 0.60 A 3 GLU H H 1 9.12 0.09 A 3 GLU HA H 1 3.89 0.09 A 3 GLU HB2 H 1 2.08 0.09 A 3 GLU HB3 H 1 1.97 0.09 A 3 GLU HG2 H 1 2.29 0.09 A 3 GLU HG3 H 1 2.29 0.09 A 3 GLU C C 13 177.92 0.60 A 3 GLU CA C 13 60.00 0.60 A 3 GLU CB C 13 29.57 0.60 A 3 GLU CG C 13 36.28 0.60 A 3 GLU N N 15 125.62 0.54 A 4 GLU H H 1 9.67 0.09 A 4 GLU HA H 1 4.16 0.09 A 4 GLU HB2 H 1 2.03 0.09 A 4 GLU HB3 H 1 2.03 0.09 A 4 GLU HG2 H 1 2.35 0.09 A 4 GLU HG3 H 1 2.35 0.09 A 4 GLU C C 13 179.75 0.60 A 4 GLU CA C 13 59.84 0.60 A 4 GLU CB C 13 28.83 0.60 A 4 GLU CG C 13 36.39 0.60 A 4 GLU N N 15 117.78 0.54 A 5 LEU H H 1 7.41 0.09 A 5 LEU HA H 1 4.46 0.09 A 5 LEU HB2 H 1 1.96 0.09 A 5 LEU HB3 H 1 1.45 0.09 A 5 LEU HD1% H 1 0.68 0.09 A 5 LEU HD2% H 1 0.64 0.09 A 5 LEU HG H 1 1.62 0.09 A 5 LEU C C 13 179.24 0.60 A 5 LEU CA C 13 57.25 0.60 A 5 LEU CB C 13 41.53 0.60 A 5 LEU CD1 C 13 25.95 0.60 A 5 LEU CD2 C 13 23.18 0.60 A 5 LEU CG C 13 28.11 0.60 A 5 LEU N N 15 118.03 0.54 A 6 VAL H H 1 7.76 0.09 A 6 VAL HA H 1 4.18 0.09 A 6 VAL HB H 1 2.23 0.09 A 6 VAL HG1% H 1 1.06 0.09 A 6 VAL HG2% H 1 1.08 0.09 A 6 VAL C C 13 181.94 0.60 A 6 VAL CA C 13 66.36 0.60 A 6 VAL CB C 13 31.82 0.60 A 6 VAL CG1 C 13 20.98 0.60 A 6 VAL CG2 C 13 22.83 0.60 A 6 VAL N N 15 123.61 0.54 A 7 HIS H H 1 8.87 0.09 A 7 HIS HA H 1 4.53 0.09 A 7 HIS HB2 H 1 3.30 0.09 A 7 HIS HB3 H 1 3.30 0.09 A 7 HIS HD2 H 1 7.16 0.09 A 7 HIS HE1 H 1 8.08 0.09 A 7 HIS C C 13 175.98 0.60 A 7 HIS CA C 13 58.38 0.60 A 7 HIS CB C 13 29.39 0.60 A 7 HIS N N 15 120.18 0.54 A 8 ALA H H 1 7.29 0.09 A 8 ALA HA H 1 4.56 0.09 A 8 ALA HB% H 1 1.82 0.09 A 8 ALA C C 13 176.85 0.60 A 8 ALA CA C 13 52.27 0.60 A 8 ALA CB C 13 19.43 0.60 A 8 ALA N N 15 118.73 0.54 A 9 GLY H H 1 7.89 0.09 A 9 GLY HA2 H 1 3.27 0.09 A 9 GLY HA3 H 1 4.05 0.09 A 9 GLY C C 13 173.62 0.60 A 9 GLY CA C 13 45.45 0.60 A 9 GLY N N 15 106.20 0.54 A 10 TRP H H 1 7.94 0.09 A 10 TRP HA H 1 4.94 0.09 A 10 TRP HB2 H 1 2.86 0.09 A 10 TRP HB3 H 1 2.95 0.09 A 10 TRP HD1 H 1 7.49 0.09 A 10 TRP HE1 H 1 10.83 0.09 A 10 TRP HE3 H 1 7.37 0.09 A 10 TRP HH2 H 1 7.01 0.09 A 10 TRP HZ2 H 1 7.49 0.09 A 10 TRP HZ3 H 1 6.99 0.09 A 10 TRP C C 13 175.77 0.60 A 10 TRP CA C 13 57.82 0.60 A 10 TRP CB C 13 30.77 0.60 A 10 TRP N N 15 120.26 0.54 A 10 TRP NE1 N 15 128.97 0.54 A 11 GLU H H 1 9.37 0.09 A 11 GLU HA H 1 4.76 0.09 A 11 GLU HB2 H 1 2.08 0.09 A 11 GLU HB3 H 1 2.08 0.09 A 11 GLU HG2 H 1 2.19 0.09 A 11 GLU HG3 H 1 2.38 0.09 A 11 GLU C C 13 174.19 0.60 A 11 GLU CA C 13 54.67 0.60 A 11 GLU CB C 13 34.10 0.60 A 11 GLU CG C 13 36.07 0.60 A 11 GLU N N 15 119.87 0.54 A 12 LYS H H 1 8.99 0.09 A 12 LYS HA H 1 4.60 0.09 A 12 LYS HB2 H 1 1.56 0.09 A 12 LYS HB3 H 1 1.94 0.09 A 12 LYS HD2 H 1 1.72 0.09 A 12 LYS HD3 H 1 1.72 0.09 A 12 LYS HE2 H 1 2.92 0.09 A 12 LYS HE3 H 1 2.92 0.09 A 12 LYS HG2 H 1 1.00 0.09 A 12 LYS HG3 H 1 1.24 0.09 A 12 LYS C C 13 175.70 0.60 A 12 LYS CA C 13 56.04 0.60 A 12 LYS CB C 13 34.25 0.60 A 12 LYS CD C 13 30.01 0.60 A 12 LYS CE C 13 41.84 0.60 A 12 LYS CG C 13 25.29 0.60 A 12 LYS N N 15 124.86 0.54 A 13 CYS H H 1 8.83 0.09 A 13 CYS HA H 1 4.56 0.09 A 13 CYS HB2 H 1 0.64 0.09 A 13 CYS HB3 H 1 2.40 0.09 A 13 CYS C C 13 172.38 0.60 A 13 CYS CA C 13 56.96 0.60 A 13 CYS CB C 13 30.77 0.60 A 13 CYS N N 15 126.99 0.54 A 14 TRP H H 1 8.77 0.09 A 14 TRP HA H 1 4.79 0.09 A 14 TRP HB2 H 1 3.04 0.09 A 14 TRP HB3 H 1 3.09 0.09 A 14 TRP HD1 H 1 6.84 0.09 A 14 TRP HE1 H 1 10.28 0.09 A 14 TRP HE3 H 1 7.41 0.09 A 14 TRP HH2 H 1 7.12 0.09 A 14 TRP HZ2 H 1 7.42 0.09 A 14 TRP HZ3 H 1 7.05 0.09 A 14 TRP C C 13 175.70 0.60 A 14 TRP CA C 13 56.71 0.60 A 14 TRP CB C 13 31.98 0.60 A 14 TRP N N 15 122.36 0.54 A 14 TRP NE1 N 15 129.31 0.54 A 15 SER H H 1 8.08 0.09 A 15 SER HA H 1 4.84 0.09 A 15 SER HB2 H 1 4.12 0.09 A 15 SER HB3 H 1 4.00 0.09 A 15 SER C C 13 175.04 0.60 A 15 SER CA C 13 55.88 0.60 A 15 SER CB C 13 63.04 0.60 A 15 SER N N 15 122.16 0.54 A 16 ARG H H 1 9.01 0.09 A 16 ARG HA H 1 4.27 0.09 A 16 ARG HB2 H 1 1.96 0.09 A 16 ARG HB3 H 1 1.96 0.09 A 16 ARG HD2 H 1 3.28 0.09 A 16 ARG HD3 H 1 3.28 0.09 A 16 ARG HG2 H 1 1.79 0.09 A 16 ARG HG3 H 1 1.92 0.09 A 16 ARG C C 13 178.41 0.60 A 16 ARG CA C 13 58.52 0.60 A 16 ARG CB C 13 29.98 0.60 A 16 ARG CD C 13 43.26 0.60 A 16 ARG CG C 13 27.69 0.60 A 16 ARG N N 15 130.03 0.54 A 17 ARG H H 1 8.31 0.09 A 17 ARG HA H 1 4.07 0.09 A 17 ARG HB2 H 1 1.66 0.09 A 17 ARG HB3 H 1 1.85 0.09 A 17 ARG HD2 H 1 3.17 0.09 A 17 ARG HD3 H 1 3.22 0.09 A 17 ARG HG2 H 1 1.55 0.09 A 17 ARG HG3 H 1 1.65 0.09 A 17 ARG C C 13 177.78 0.60 A 17 ARG CA C 13 58.76 0.60 A 17 ARG CB C 13 30.48 0.60 A 17 ARG CD C 13 43.02 0.60 A 17 ARG CG C 13 27.33 0.60 A 17 ARG N N 15 118.67 0.54 A 18 GLU H H 1 7.63 0.09 A 18 GLU HA H 1 4.32 0.09 A 18 GLU HB2 H 1 1.48 0.09 A 18 GLU HB3 H 1 1.95 0.09 A 18 GLU HG2 H 1 1.98 0.09 A 18 GLU HG3 H 1 2.10 0.09 A 18 GLU C C 13 175.43 0.60 A 18 GLU CA C 13 55.51 0.60 A 18 GLU CB C 13 29.77 0.60 A 18 GLU CG C 13 36.21 0.60 A 18 GLU N N 15 113.57 0.54 A 19 ASN H H 1 7.96 0.09 A 19 ASN HA H 1 4.31 0.09 A 19 ASN HB2 H 1 2.64 0.09 A 19 ASN HB3 H 1 3.23 0.09 A 19 ASN HD21 H 1 7.67 0.09 A 19 ASN HD22 H 1 6.88 0.09 A 19 ASN C C 13 173.43 0.60 A 19 ASN CA C 13 53.87 0.60 A 19 ASN CB C 13 37.50 0.60 A 19 ASN N N 15 120.09 0.54 A 19 ASN ND2 N 15 113.09 0.54 A 20 ARG H H 1 6.79 0.09 A 20 ARG HA H 1 4.36 0.09 A 20 ARG HB2 H 1 1.80 0.09 A 20 ARG HB3 H 1 1.70 0.09 A 20 ARG HD2 H 1 2.88 0.09 A 20 ARG HD3 H 1 2.64 0.09 A 20 ARG HG2 H 1 1.63 0.09 A 20 ARG HG3 H 1 1.37 0.09 A 20 ARG C C 13 171.83 0.60 A 20 ARG CA C 13 53.44 0.60 A 20 ARG CB C 13 31.50 0.60 A 20 ARG CD C 13 43.78 0.60 A 20 ARG CG C 13 25.34 0.60 A 20 ARG N N 15 113.67 0.54 A 21 PRO HA H 1 5.17 0.09 A 21 PRO HB2 H 1 2.23 0.09 A 21 PRO HB3 H 1 1.64 0.09 A 21 PRO HD2 H 1 3.72 0.09 A 21 PRO HD3 H 1 3.83 0.09 A 21 PRO HG2 H 1 2.18 0.09 A 21 PRO HG3 H 1 2.24 0.09 A 21 PRO C C 13 175.43 0.60 A 21 PRO CA C 13 61.97 0.60 A 21 PRO CB C 13 33.00 0.60 A 21 PRO CD C 13 50.60 0.60 A 21 PRO CG C 13 26.81 0.60 A 22 TYR H H 1 8.07 0.09 A 22 TYR HA H 1 4.57 0.09 A 22 TYR HB2 H 1 2.31 0.09 A 22 TYR HB3 H 1 2.56 0.09 A 22 TYR HD1 H 1 6.62 0.09 A 22 TYR HD2 H 1 6.62 0.09 A 22 TYR HE1 H 1 6.40 0.09 A 22 TYR HE2 H 1 6.40 0.09 A 22 TYR C C 13 171.12 0.60 A 22 TYR CA C 13 55.86 0.60 A 22 TYR CB C 13 39.06 0.60 A 22 TYR N N 15 114.50 0.54 A 23 TYR H H 1 9.24 0.09 A 23 TYR HA H 1 5.31 0.09 A 23 TYR HB2 H 1 2.67 0.09 A 23 TYR HB3 H 1 2.84 0.09 A 23 TYR HD1 H 1 6.75 0.09 A 23 TYR HD2 H 1 6.75 0.09 A 23 TYR HE1 H 1 6.61 0.09 A 23 TYR HE2 H 1 6.61 0.09 A 23 TYR C C 13 174.20 0.60 A 23 TYR CA C 13 56.81 0.60 A 23 TYR CB C 13 40.80 0.60 A 23 TYR N N 15 119.08 0.54 A 24 PHE H H 1 9.34 0.09 A 24 PHE HA H 1 5.84 0.09 A 24 PHE HB2 H 1 3.08 0.09 A 24 PHE HB3 H 1 2.74 0.09 A 24 PHE HD1 H 1 7.09 0.09 A 24 PHE HD2 H 1 7.09 0.09 A 24 PHE HE1 H 1 7.09 0.09 A 24 PHE HE2 H 1 7.09 0.09 A 24 PHE HZ H 1 7.27 0.09 A 24 PHE C C 13 173.19 0.60 A 24 PHE CA C 13 55.73 0.60 A 24 PHE CB C 13 44.95 0.60 A 24 PHE N N 15 125.43 0.54 A 25 ASN H H 1 7.86 0.09 A 25 ASN HA H 1 4.34 0.09 A 25 ASN HB2 H 1 -0.63 0.09 A 25 ASN HB3 H 1 2.13 0.09 A 25 ASN HD21 H 1 6.50 0.09 A 25 ASN HD22 H 1 3.43 0.09 A 25 ASN C C 13 174.45 0.60 A 25 ASN CA C 13 51.12 0.60 A 25 ASN CB C 13 38.59 0.60 A 25 ASN N N 15 128.03 0.54 A 25 ASN ND2 N 15 108.63 0.54 A 26 ARG H H 1 7.93 0.09 A 26 ARG HA H 1 3.78 0.09 A 26 ARG HB2 H 1 1.61 0.09 A 26 ARG HB3 H 1 1.51 0.09 A 26 ARG HD2 H 1 2.88 0.09 A 26 ARG HD3 H 1 2.94 0.09 A 26 ARG HG2 H 1 0.69 0.09 A 26 ARG HG3 H 1 1.15 0.09 A 26 ARG C C 13 176.59 0.60 A 26 ARG CA C 13 57.03 0.60 A 26 ARG CB C 13 29.19 0.60 A 26 ARG CD C 13 42.97 0.60 A 26 ARG CG C 13 26.08 0.60 A 26 ARG N N 15 122.77 0.54 A 27 PHE H H 1 8.18 0.09 A 27 PHE HA H 1 4.74 0.09 A 27 PHE HB2 H 1 3.12 0.09 A 27 PHE HB3 H 1 3.19 0.09 A 27 PHE HD1 H 1 7.19 0.09 A 27 PHE HD2 H 1 7.19 0.09 A 27 PHE C C 13 178.03 0.60 A 27 PHE CA C 13 58.07 0.60 A 27 PHE CB C 13 38.14 0.60 A 27 PHE N N 15 119.45 0.54 A 28 THR H H 1 7.64 0.09 A 28 THR HA H 1 4.30 0.09 A 28 THR HB H 1 4.28 0.09 A 28 THR HG2% H 1 1.01 0.09 A 28 THR C C 13 175.94 0.60 A 28 THR CA C 13 61.09 0.60 A 28 THR CB C 13 70.09 0.60 A 28 THR CG2 C 13 21.03 0.60 A 28 THR N N 15 108.34 0.54 A 29 ASN H H 1 8.19 0.09 A 29 ASN HA H 1 4.15 0.09 A 29 ASN HB2 H 1 2.89 0.09 A 29 ASN HB3 H 1 3.15 0.09 A 29 ASN HD21 H 1 7.42 0.09 A 29 ASN HD22 H 1 6.83 0.09 A 29 ASN C C 13 173.81 0.60 A 29 ASN CA C 13 54.97 0.60 A 29 ASN CB C 13 37.60 0.60 A 29 ASN N N 15 118.13 0.54 A 29 ASN ND2 N 15 112.60 0.54 A 30 GLN H H 1 7.17 0.09 A 30 GLN HA H 1 4.37 0.09 A 30 GLN HB2 H 1 1.73 0.09 A 30 GLN HB3 H 1 1.94 0.09 A 30 GLN HE21 H 1 7.76 0.09 A 30 GLN HE22 H 1 7.07 0.09 A 30 GLN HG2 H 1 2.35 0.09 A 30 GLN HG3 H 1 2.43 0.09 A 30 GLN C C 13 174.30 0.60 A 30 GLN CA C 13 56.14 0.60 A 30 GLN CB C 13 31.20 0.60 A 30 GLN CG C 13 34.31 0.60 A 30 GLN N N 15 119.01 0.54 A 30 GLN NE2 N 15 112.83 0.54 A 31 SER H H 1 8.41 0.09 A 31 SER HA H 1 5.98 0.09 A 31 SER HB2 H 1 3.62 0.09 A 31 SER HB3 H 1 3.62 0.09 A 31 SER C C 13 173.64 0.60 A 31 SER CA C 13 57.20 0.60 A 31 SER CB C 13 65.66 0.60 A 31 SER N N 15 117.71 0.54 A 32 LEU H H 1 9.59 0.09 A 32 LEU HA H 1 4.82 0.09 A 32 LEU HB2 H 1 1.67 0.09 A 32 LEU HB3 H 1 1.88 0.09 A 32 LEU HD1% H 1 0.72 0.09 A 32 LEU HD2% H 1 1.03 0.09 A 32 LEU HG H 1 1.69 0.09 A 32 LEU C C 13 176.78 0.60 A 32 LEU CA C 13 53.49 0.60 A 32 LEU CB C 13 47.90 0.60 A 32 LEU CD1 C 13 26.34 0.60 A 32 LEU CD2 C 13 23.48 0.60 A 32 LEU CG C 13 27.49 0.60 A 32 LEU N N 15 124.87 0.54 A 33 TRP H H 1 8.81 0.09 A 33 TRP HA H 1 4.94 0.09 A 33 TRP HB2 H 1 3.11 0.09 A 33 TRP HB3 H 1 3.63 0.09 A 33 TRP HD1 H 1 7.34 0.09 A 33 TRP HE1 H 1 10.02 0.09 A 33 TRP HE3 H 1 7.96 0.09 A 33 TRP HH2 H 1 6.82 0.09 A 33 TRP HZ2 H 1 7.23 0.09 A 33 TRP HZ3 H 1 6.71 0.09 A 33 TRP C C 13 175.88 0.60 A 33 TRP CA C 13 58.01 0.60 A 33 TRP CB C 13 30.32 0.60 A 33 TRP N N 15 119.93 0.54 A 33 TRP NE1 N 15 128.59 0.54 A 34 GLU H H 1 7.47 0.09 A 34 GLU HA H 1 4.67 0.09 A 34 GLU HB2 H 1 1.83 0.09 A 34 GLU HB3 H 1 2.00 0.09 A 34 GLU HG2 H 1 2.26 0.09 A 34 GLU HG3 H 1 2.26 0.09 A 34 GLU C C 13 173.87 0.60 A 34 GLU CA C 13 54.14 0.60 A 34 GLU CB C 13 31.93 0.60 A 34 GLU CG C 13 35.90 0.60 A 34 GLU N N 15 117.46 0.54 A 35 MET H H 1 8.15 0.09 A 35 MET HA H 1 2.91 0.09 A 35 MET HB2 H 1 1.56 0.09 A 35 MET HB3 H 1 1.50 0.09 A 35 MET HG2 H 1 1.87 0.09 A 35 MET HG3 H 1 2.12 0.09 A 35 MET C C 13 174.25 0.60 A 35 MET CA C 13 53.54 0.60 A 35 MET CB C 13 32.46 0.60 A 35 MET CG C 13 30.97 0.60 A 35 MET N N 15 121.31 0.54 A 36 PRO HA H 1 3.90 0.09 A 36 PRO HB2 H 1 1.17 0.09 A 36 PRO HB3 H 1 0.98 0.09 A 36 PRO HD2 H 1 2.68 0.09 A 36 PRO HD3 H 1 2.49 0.09 A 36 PRO HG2 H 1 0.39 0.09 A 36 PRO HG3 H 1 0.11 0.09 A 36 PRO C C 13 174.41 0.60 A 36 PRO CA C 13 62.10 0.60 A 36 PRO CB C 13 31.48 0.60 A 36 PRO CD C 13 50.13 0.60 A 36 PRO CG C 13 25.45 0.60 A 36 PRO N N 15 135.18 0.54 A 37 VAL H H 1 7.82 0.09 A 37 VAL HA H 1 3.96 0.09 A 37 VAL HB H 1 1.88 0.09 A 37 VAL HG1% H 1 0.82 0.09 A 37 VAL HG2% H 1 0.81 0.09 A 37 VAL C C 13 176.40 0.60 A 37 VAL CA C 13 61.16 0.60 A 37 VAL CB C 13 33.54 0.60 A 37 VAL CG1 C 13 20.94 0.60 A 37 VAL CG2 C 13 20.25 0.60 A 37 VAL N N 15 117.99 0.54 A 38 LEU H H 1 8.51 0.09 A 38 LEU HA H 1 4.30 0.09 A 38 LEU HB2 H 1 1.57 0.09 A 38 LEU HB3 H 1 1.57 0.09 A 38 LEU HD1% H 1 0.88 0.09 A 38 LEU HD2% H 1 0.84 0.09 A 38 LEU HG H 1 1.57 0.09 A 38 LEU C C 13 177.74 0.60 A 38 LEU CA C 13 55.17 0.60 A 38 LEU CB C 13 42.14 0.60 A 38 LEU CD1 C 13 25.12 0.60 A 38 LEU CD2 C 13 23.70 0.60 A 38 LEU CG C 13 26.97 0.60 A 38 LEU N N 15 127.01 0.54 A 39 GLY H H 1 8.68 0.09 A 39 GLY HA2 H 1 3.93 0.09 A 39 GLY HA3 H 1 3.93 0.09 A 39 GLY C C 13 173.99 0.60 A 39 GLY CA C 13 45.20 0.60 A 39 GLY N N 15 110.94 0.54 A 40 GLN H H 1 8.22 0.09 A 40 GLN HA H 1 4.29 0.09 A 40 GLN HB2 H 1 1.91 0.09 A 40 GLN HB3 H 1 2.00 0.09 A 40 GLN HE21 H 1 7.61 0.09 A 40 GLN HE22 H 1 6.85 0.09 A 40 GLN HG2 H 1 2.22 0.09 A 40 GLN HG3 H 1 2.26 0.09 A 40 GLN C C 13 175.89 0.60 A 40 GLN CA C 13 55.84 0.60 A 40 GLN CB C 13 29.48 0.60 A 40 GLN CG C 13 33.56 0.60 A 40 GLN N N 15 120.20 0.54 A 40 GLN NE2 N 15 112.65 0.54 A 41 HIS H H 1 8.55 0.09 A 41 HIS HA H 1 4.71 0.09 A 41 HIS HB2 H 1 3.07 0.09 A 41 HIS HB3 H 1 3.22 0.09 A 41 HIS HD2 H 1 7.11 0.09 A 41 HIS HE1 H 1 8.10 0.09 A 41 HIS C C 13 174.32 0.60 A 41 HIS CA C 13 55.71 0.60 A 41 HIS CB C 13 30.18 0.60 A 41 HIS N N 15 120.46 0.54 A 42 ASP H H 1 8.44 0.09 A 42 ASP HA H 1 4.62 0.09 A 42 ASP HB2 H 1 2.59 0.09 A 42 ASP HB3 H 1 2.65 0.09 A 42 ASP C C 13 175.85 0.60 A 42 ASP CA C 13 54.39 0.60 A 42 ASP CB C 13 41.21 0.60 A 42 ASP N N 15 122.04 0.54 A 43 VAL H H 1 8.13 0.09 A 43 VAL HA H 1 4.10 0.09 A 43 VAL HB H 1 2.04 0.09 A 43 VAL HG1% H 1 0.88 0.09 A 43 VAL HG2% H 1 0.89 0.09 A 43 VAL C C 13 176.00 0.60 A 43 VAL CA C 13 62.29 0.60 A 43 VAL CB C 13 32.80 0.60 A 43 VAL CG1 C 13 20.86 0.60 A 43 VAL CG2 C 13 20.21 0.60 A 43 VAL N N 15 120.73 0.54 A 44 ILE H H 1 8.33 0.09 A 44 ILE HA H 1 4.20 0.09 A 44 ILE HB H 1 1.83 0.09 A 44 ILE HD1% H 1 0.79 0.09 A 44 ILE HG12 H 1 1.15 0.09 A 44 ILE HG13 H 1 1.44 0.09 A 44 ILE HG2% H 1 0.86 0.09 A 44 ILE C C 13 176.14 0.60 A 44 ILE CA C 13 60.86 0.60 A 44 ILE CB C 13 38.53 0.60 A 44 ILE CD1 C 13 12.65 0.60 A 44 ILE CG1 C 13 27.24 0.60 A 44 ILE CG2 C 13 17.43 0.60 A 44 ILE N N 15 125.99 0.54 A 45 SER H H 1 8.38 0.09 A 45 SER HA H 1 4.45 0.09 A 45 SER HB2 H 1 3.79 0.09 A 45 SER HB3 H 1 3.79 0.09 A 45 SER C C 13 173.69 0.60 A 45 SER CA C 13 58.14 0.60 A 45 SER CB C 13 64.04 0.60 A 45 SER N N 15 121.06 0.54 A 46 ASP H H 1 8.32 0.09 A 46 ASP HA H 1 4.87 0.09 A 46 ASP HB2 H 1 2.46 0.09 A 46 ASP HB3 H 1 2.74 0.09 A 46 ASP C C 13 173.21 0.60 A 46 ASP CA C 13 52.88 0.60 A 46 ASP CB C 13 40.48 0.60 A 46 ASP N N 15 124.51 0.54 A 47 PRO HA H 1 4.20 0.09 A 47 PRO HB2 H 1 1.87 0.09 A 47 PRO HB3 H 1 2.14 0.09 A 47 PRO HD2 H 1 3.64 0.09 A 47 PRO HD3 H 1 3.71 0.09 A 47 PRO HG2 H 1 1.93 0.09 A 47 PRO HG3 H 1 1.93 0.09 A 47 PRO CA C 13 64.87 0.60 A 47 PRO CB C 13 32.06 0.60 A 47 PRO CD C 13 50.25 0.60 A 47 PRO CG C 13 27.19 0.60 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 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 1 LEU HA A 1 LEU HD1% 1.0 1.8 5.5 2 2 A 1 LEU HA A 1 LEU HD2% 1.0 1.8 4.0 3 3 A 1 LEU HA A 1 LEU HG 1.0 1.8 3.5 4 4 A 1 LEU HA A 2 PRO HD3 1.0 1.8 3.5 5 5 A 1 LEU HA A 2 PRO HD2 1.0 1.8 3.5 6 6 A 1 LEU HA A 2 PRO HG3 1.0 1.8 5.0 7 7 A 1 LEU HA A 2 PRO HG2 1.0 1.8 5.0 8 8 A 1 LEU HA A 5 LEU HD1% 1.0 1.8 5.5 9 9 A 1 LEU HA A 1 LEU HB3 1.0 1.8 3.5 10 10 A 2 PRO HD3 A 1 LEU HB3 1.0 1.8 5.0 11 11 A 2 PRO HD2 A 1 LEU HB3 1.0 1.8 5.0 12 12 A 5 LEU HD1% A 1 LEU HB3 1.0 1.8 6.5 13 13 A 1 LEU HA A 1 LEU HB2 1.0 1.8 5.0 14 14 A 2 PRO HD2 A 1 LEU HB2 1.0 1.8 5.0 15 15 A 5 LEU HD1% A 1 LEU HB2 1.0 1.8 6.5 16 16 A 1 LEU HD2% A 10 TRP HB3 1.0 1.8 5.5 17 17 A 1 LEU HD2% A 10 TRP HB2 1.0 1.8 5.5 18 18 A 1 LEU HA A 1 LEU H 1.0 1.8 3.5 19 19 A 1 LEU HB3 A 1 LEU H 1.0 1.8 3.5 20 20 A 1 LEU HB2 A 1 LEU H 1.0 1.8 3.5 21 21 A 1 LEU HD1% A 1 LEU H 1.0 1.8 5.5 22 22 A 1 LEU HG A 1 LEU H 1.0 1.8 3.5 23 23 A 1 LEU H A 6 VAL HG2% 1.0 1.8 5.5 24 24 A 2 PRO HD3 A 1 LEU HB2 1.0 1.8 5.0 25 25 A 1 LEU HD2% A 2 PRO HD3 1.0 1.8 5.5 26 26 A 1 LEU HD2% A 2 PRO HD2 1.0 1.8 5.5 27 27 A 2 PRO HG3 A 5 LEU HD1% 1.0 1.8 5.5 28 28 A 2 PRO HG3 A 5 LEU HG 1.0 1.8 5.0 29 29 A 2 PRO HG2 A 5 LEU HD1% 1.0 1.8 5.5 30 30 A 2 PRO HG2 A 5 LEU HG 1.0 1.8 5.0 31 31 A 3 GLU HA A 3 GLU HB3 1.0 1.8 3.5 32 32 A 3 GLU HA A 3 GLU HB2 1.0 1.8 3.5 33 33 A 6 VAL HG2% A 3 GLU HA 1.0 1.8 5.5 34 34 A 3 GLU HA A 3 GLU HG2 1.0 1.8 3.8 35 34 A 3 GLU HA A 3 GLU HG3 1.0 1.8 3.8 36 35 A 6 VAL HG1% A 3 GLU HG2 1.0 1.8 6.8 37 35 A 3 GLU HG3 A 6 VAL HG1% 1.0 1.8 6.8 38 36 A 3 GLU H A 2 PRO HA 1.0 1.8 2.8 39 37 A 3 GLU H A 2 PRO HB3 1.0 1.8 3.5 40 38 A 3 GLU HA A 3 GLU H 1.0 1.8 3.5 41 39 A 3 GLU HB3 A 3 GLU H 1.0 1.8 3.5 42 40 A 3 GLU HB2 A 3 GLU H 1.0 1.8 2.8 43 41 A 3 GLU H A 3 GLU HG2 1.0 1.8 5.3 44 41 A 3 GLU HG3 A 3 GLU H 1.0 1.8 5.3 45 42 A 3 GLU H A 4 GLU H 1.0 1.8 3.5 46 43 A 4 GLU HA A 4 GLU HB2 1.0 1.8 3.8 47 43 A 4 GLU HA A 4 GLU HB3 1.0 1.8 3.8 48 44 A 4 GLU HA A 7 HIS HB2 1.0 1.8 3.8 49 44 A 4 GLU HA A 7 HIS HB3 1.0 1.8 3.8 50 45 A 38 LEU HD1% A 4 GLU HB2 1.0 1.8 5.8 51 45 A 4 GLU HB3 A 38 LEU HD1% 1.0 1.8 5.8 52 46 A 38 LEU HD2% A 4 GLU HB2 1.0 1.8 5.8 53 46 A 4 GLU HB3 A 38 LEU HD2% 1.0 1.8 5.8 54 47 A 38 LEU HD1% A 4 GLU HG2 1.0 1.8 6.8 55 47 A 38 LEU HD1% A 4 GLU HG3 1.0 1.8 6.8 56 48 A 4 GLU HA A 4 GLU HG2 1.0 1.8 3.8 57 48 A 4 GLU HA A 4 GLU HG3 1.0 1.8 3.8 58 49 A 2 PRO HA A 4 GLU H 1.0 1.8 5.0 59 50 A 3 GLU HA A 4 GLU H 1.0 1.8 5.0 60 51 A 4 GLU H A 4 GLU HA 1.0 1.8 3.5 61 52 A 4 GLU H A 4 GLU HB2 1.0 1.8 3.8 62 52 A 4 GLU H A 4 GLU HB3 1.0 1.8 3.8 63 53 A 4 GLU H A 4 GLU HG2 1.0 1.8 3.8 64 53 A 4 GLU H A 4 GLU HG3 1.0 1.8 3.8 65 54 A 38 LEU HD1% A 5 LEU HA 1.0 1.8 5.5 66 55 A 38 LEU HD2% A 5 LEU HA 1.0 1.8 6.5 67 56 A 5 LEU HA A 5 LEU HD2% 1.0 1.8 4.0 68 57 A 5 LEU HG A 5 LEU HA 1.0 1.8 5.0 69 58 A 5 LEU HA A 8 ALA HB% 1.0 1.8 5.5 70 59 A 10 TRP HB3 A 5 LEU HB3 1.0 1.8 5.0 71 60 A 10 TRP HB2 A 5 LEU HB3 1.0 1.8 5.0 72 61 A 1 LEU HD2% A 5 LEU HB3 1.0 1.8 5.5 73 62 A 5 LEU HA A 5 LEU HB3 1.0 1.8 5.0 74 63 A 10 TRP HB3 A 5 LEU HB2 1.0 1.8 5.0 75 64 A 10 TRP HB2 A 5 LEU HB2 1.0 1.8 5.0 76 65 A 1 LEU HD2% A 5 LEU HB2 1.0 1.8 5.5 77 66 A 5 LEU HA A 5 LEU HB2 1.0 1.8 3.5 78 67 A 2 PRO HD3 A 5 LEU HD1% 1.0 1.8 5.5 79 68 A 2 PRO HD2 A 5 LEU HD1% 1.0 1.8 5.5 80 69 A 5 LEU HD1% A 5 LEU HA 1.0 1.8 5.5 81 70 A 2 PRO HD2 A 5 LEU HG 1.0 1.8 6.0 82 71 A 5 LEU HG A 38 LEU HD1% 1.0 1.8 6.5 83 72 A 4 GLU HA A 5 LEU H 1.0 1.8 3.5 84 73 A 5 LEU H A 4 GLU HG2 1.0 1.8 5.3 85 73 A 4 GLU HG3 A 5 LEU H 1.0 1.8 5.3 86 74 A 4 GLU H A 5 LEU H 1.0 1.8 3.5 87 75 A 5 LEU HA A 5 LEU H 1.0 1.8 3.5 88 76 A 5 LEU HB3 A 5 LEU H 1.0 1.8 3.5 89 77 A 5 LEU HB2 A 5 LEU H 1.0 1.8 2.8 90 78 A 5 LEU HD1% A 5 LEU H 1.0 1.8 5.5 91 79 A 5 LEU HD2% A 5 LEU H 1.0 1.8 5.5 92 80 A 5 LEU HG A 5 LEU H 1.0 1.8 3.5 93 81 A 6 VAL HA A 6 VAL HB 1.0 1.8 5.0 94 82 A 6 VAL HG2% A 6 VAL HA 1.0 1.8 4.0 95 83 A 3 GLU HA A 6 VAL HB 1.0 1.8 3.5 96 84 A 3 GLU HA A 6 VAL HG1% 1.0 1.8 5.5 97 85 A 6 VAL HG1% A 6 VAL HA 1.0 1.8 4.0 98 86 A 6 VAL HG1% A 7 HIS HA 1.0 1.8 5.5 99 87 A 6 VAL HG1% A 7 HIS HB2 1.0 1.8 6.8 100 87 A 6 VAL HG1% A 7 HIS HB3 1.0 1.8 6.8 101 88 A 1 LEU HB3 A 6 VAL HG2% 1.0 1.8 5.5 102 89 A 1 LEU HB2 A 6 VAL HG2% 1.0 1.8 5.5 103 90 A 3 GLU HA A 6 VAL H 1.0 1.8 3.5 104 91 A 5 LEU HA A 6 VAL H 1.0 1.8 3.5 105 92 A 5 LEU HB3 A 6 VAL H 1.0 1.8 3.5 106 93 A 5 LEU HB2 A 6 VAL H 1.0 1.8 3.5 107 94 A 5 LEU H A 6 VAL H 1.0 1.8 2.8 108 95 A 6 VAL HA A 6 VAL H 1.0 1.8 3.5 109 96 A 6 VAL HB A 6 VAL H 1.0 1.8 2.8 110 97 A 6 VAL HG2% A 6 VAL H 1.0 1.8 4.0 111 98 A 6 VAL H A 7 HIS H 1.0 1.8 3.5 112 99 A 7 HIS HA A 7 HIS HB2 1.0 1.8 3.8 113 99 A 7 HIS HB3 A 7 HIS HA 1.0 1.8 3.8 114 100 A 7 HIS HD2 A 3 GLU HG2 1.0 1.8 5.3 115 100 A 3 GLU HG3 A 7 HIS HD2 1.0 1.8 5.3 116 101 A 6 VAL HG1% A 7 HIS HD2 1.0 1.8 5.5 117 102 A 7 HIS HA A 7 HIS HD2 1.0 1.8 3.5 118 103 A 7 HIS HD2 A 7 HIS HB2 1.0 1.8 5.3 119 103 A 7 HIS HB3 A 7 HIS HD2 1.0 1.8 5.3 120 104 A 3 GLU HA A 7 HIS H 1.0 1.8 5.0 121 105 A 6 VAL HA A 7 HIS H 1.0 1.8 3.5 122 106 A 6 VAL HB A 7 HIS H 1.0 1.8 3.5 123 107 A 6 VAL HG1% A 7 HIS H 1.0 1.8 5.5 124 108 A 7 HIS HA A 7 HIS H 1.0 1.8 3.5 125 109 A 7 HIS H A 7 HIS HB2 1.0 1.8 3.8 126 109 A 7 HIS HB3 A 7 HIS H 1.0 1.8 3.8 127 110 A 7 HIS H A 8 ALA H 1.0 1.8 3.5 128 111 A 38 LEU HD1% A 8 ALA HB% 1.0 1.8 6.0 129 112 A 38 LEU HD2% A 8 ALA HB% 1.0 1.8 6.0 130 113 A 5 LEU HD2% A 8 ALA HB% 1.0 1.8 7.0 131 114 A 4 GLU HA A 8 ALA H 1.0 1.8 5.0 132 115 A 5 LEU HA A 8 ALA H 1.0 1.8 3.5 133 116 A 8 ALA H A 7 HIS HB2 1.0 1.8 3.8 134 116 A 7 HIS HB3 A 8 ALA H 1.0 1.8 3.8 135 117 A 8 ALA H A 8 ALA HA 1.0 1.8 3.5 136 118 A 8 ALA HB% A 8 ALA H 1.0 1.8 4.0 137 119 A 8 ALA H A 9 GLY H 1.0 1.8 3.5 138 120 A 6 VAL HA A 9 GLY H 1.0 1.8 5.0 139 121 A 8 ALA HA A 9 GLY H 1.0 1.8 3.5 140 122 A 8 ALA HB% A 9 GLY H 1.0 1.8 5.5 141 123 A 9 GLY H A 9 GLY HA3 1.0 1.8 3.5 142 124 A 9 GLY H A 9 GLY HA2 1.0 1.8 2.8 143 125 A 10 TRP HB3 A 10 TRP HA 1.0 1.8 3.5 144 126 A 10 TRP HB2 A 10 TRP HA 1.0 1.8 3.5 145 127 A 10 TRP HA A 25 ASN HA 1.0 1.8 3.5 146 128 A 1 LEU HD1% A 10 TRP HB3 1.0 1.8 5.5 147 129 A 5 LEU HD1% A 10 TRP HB3 1.0 1.8 5.5 148 130 A 1 LEU HD1% A 10 TRP HB2 1.0 1.8 5.5 149 131 A 5 LEU HD1% A 10 TRP HB2 1.0 1.8 5.5 150 132 A 10 TRP HB2 A 10 TRP HD1 1.0 1.8 3.5 151 133 A 5 LEU HA A 10 TRP HD1 1.0 1.8 3.5 152 134 A 5 LEU HB3 A 10 TRP HD1 1.0 1.8 3.5 153 135 A 5 LEU HB2 A 10 TRP HD1 1.0 1.8 5.0 154 136 A 5 LEU HD2% A 10 TRP HD1 1.0 1.8 5.5 155 137 A 8 ALA HB% A 10 TRP HD1 1.0 1.8 4.0 156 138 A 10 TRP HA A 10 TRP HE3 1.0 1.8 3.5 157 139 A 10 TRP HB3 A 10 TRP HE3 1.0 1.8 3.5 158 140 A 10 TRP HE3 A 23 TYR HA 1.0 1.8 5.0 159 141 A 10 TRP HE3 A 23 TYR HB3 1.0 1.8 3.5 160 142 A 10 TRP HE3 A 23 TYR HB2 1.0 1.8 3.5 161 143 A 10 TRP HE3 A 23 TYR HD% 1.0 1.8 5.5 162 144 A 10 TRP HE3 A 24 PHE HA 1.0 1.8 5.0 163 145 A 10 TRP HE3 A 25 ASN HB2 1.0 1.8 5.0 164 146 A 25 ASN HB2 A 10 TRP HH2 1.0 1.8 5.0 165 147 A 10 TRP HH2 A 30 GLN HB3 1.0 1.8 5.0 166 148 A 10 TRP HH2 A 30 GLN HG2 1.0 1.8 5.0 167 149 A 10 TRP HH2 A 32 LEU HD1% 1.0 1.8 5.5 168 150 A 10 TRP HH2 A 32 LEU HD2% 1.0 1.8 5.5 169 151 A 10 TRP HH2 A 32 LEU HG 1.0 1.8 3.5 170 152 A 10 TRP HA A 10 TRP H 1.0 1.8 3.5 171 153 A 10 TRP HB3 A 10 TRP H 1.0 1.8 3.5 172 154 A 10 TRP HB2 A 10 TRP H 1.0 1.8 2.8 173 155 A 10 TRP HD1 A 10 TRP H 1.0 1.8 3.5 174 156 A 6 VAL HA A 10 TRP H 1.0 1.8 3.5 175 157 A 6 VAL HG2% A 10 TRP H 1.0 1.8 6.5 176 158 A 8 ALA HB% A 10 TRP H 1.0 1.8 5.5 177 159 A 9 GLY HA3 A 10 TRP H 1.0 1.8 5.0 178 160 A 9 GLY HA2 A 10 TRP H 1.0 1.8 3.5 179 161 A 25 ASN HB2 A 10 TRP HZ2 1.0 1.8 5.0 180 162 A 32 LEU HD1% A 10 TRP HZ2 1.0 1.8 5.5 181 163 A 10 TRP HZ2 A 36 PRO HB3 1.0 1.8 5.0 182 164 A 10 TRP HZ2 A 36 PRO HG3 1.0 1.8 5.0 183 165 A 10 TRP HZ2 A 36 PRO HG2 1.0 1.8 5.0 184 166 A 23 TYR HB3 A 10 TRP HZ3 1.0 1.8 5.0 185 167 A 23 TYR HB2 A 10 TRP HZ3 1.0 1.8 5.0 186 168 A 24 PHE HA A 10 TRP HZ3 1.0 1.8 5.0 187 169 A 25 ASN HB2 A 10 TRP HZ3 1.0 1.8 5.0 188 170 A 30 GLN HB3 A 10 TRP HZ3 1.0 1.8 5.0 189 171 A 10 TRP HZ3 A 31 SER HA 1.0 1.8 5.0 190 172 A 32 LEU HD1% A 10 TRP HZ3 1.0 1.8 5.5 191 173 A 32 LEU HD2% A 10 TRP HZ3 1.0 1.8 5.5 192 174 A 32 LEU HG A 10 TRP HZ3 1.0 1.8 3.5 193 175 A 1 LEU HD1% A 11 GLU HA 1.0 1.8 5.5 194 176 A 11 GLU HA A 11 GLU HB2 1.0 1.8 3.8 195 176 A 11 GLU HA A 11 GLU HB3 1.0 1.8 3.8 196 177 A 11 GLU HA A 11 GLU HG3 1.0 1.8 5.0 197 178 A 11 GLU HA A 11 GLU HG2 1.0 1.8 5.0 198 179 A 10 TRP HA A 11 GLU H 1.0 1.8 2.8 199 180 A 10 TRP HE3 A 11 GLU H 1.0 1.8 3.5 200 181 A 11 GLU HA A 11 GLU H 1.0 1.8 3.5 201 182 A 11 GLU H A 11 GLU HB2 1.0 1.8 3.8 202 182 A 11 GLU HB3 A 11 GLU H 1.0 1.8 3.8 203 183 A 11 GLU HG3 A 11 GLU H 1.0 1.8 3.5 204 184 A 25 ASN HA A 11 GLU H 1.0 1.8 5.0 205 185 A 12 LYS HA A 12 LYS HD2 1.0 1.8 5.3 206 185 A 12 LYS HA A 12 LYS HD3 1.0 1.8 5.3 207 186 A 12 LYS HA A 12 LYS HG3 1.0 1.8 5.0 208 187 A 12 LYS HA A 12 LYS HG2 1.0 1.8 3.5 209 188 A 12 LYS HA A 12 LYS HB3 1.0 1.8 3.5 210 189 A 12 LYS HB3 A 12 LYS HD2 1.0 1.8 5.3 211 189 A 12 LYS HD3 A 12 LYS HB3 1.0 1.8 5.3 212 190 A 12 LYS HG3 A 12 LYS HB3 1.0 1.8 3.5 213 191 A 12 LYS HG2 A 12 LYS HB3 1.0 1.8 3.5 214 192 A 12 LYS HA A 12 LYS HB2 1.0 1.8 3.5 215 193 A 12 LYS HB2 A 12 LYS HD2 1.0 1.8 3.8 216 193 A 12 LYS HD3 A 12 LYS HB2 1.0 1.8 3.8 217 194 A 12 LYS HG3 A 12 LYS HB2 1.0 1.8 3.5 218 195 A 12 LYS HG2 A 12 LYS HB2 1.0 1.8 3.5 219 196 A 12 LYS HG3 A 12 LYS HD2 1.0 1.8 5.3 220 196 A 12 LYS HD3 A 12 LYS HG3 1.0 1.8 5.3 221 197 A 12 LYS HG2 A 12 LYS HD2 1.0 1.8 3.8 222 197 A 12 LYS HD3 A 12 LYS HG2 1.0 1.8 3.8 223 198 A 12 LYS HA A 12 LYS HE2 1.0 1.8 5.3 224 198 A 12 LYS HA A 12 LYS HE3 1.0 1.8 5.3 225 199 A 12 LYS HB3 A 12 LYS HE2 1.0 1.8 5.3 226 199 A 12 LYS HB3 A 12 LYS HE3 1.0 1.8 5.3 227 200 A 12 LYS HB2 A 12 LYS HE2 1.0 1.8 5.3 228 200 A 12 LYS HB2 A 12 LYS HE3 1.0 1.8 5.3 229 201 A 12 LYS HG3 A 12 LYS HE2 1.0 1.8 5.3 230 201 A 12 LYS HG3 A 12 LYS HE3 1.0 1.8 5.3 231 202 A 12 LYS HG2 A 12 LYS HE2 1.0 1.8 5.3 232 202 A 12 LYS HG2 A 12 LYS HE3 1.0 1.8 5.3 233 203 A 21 PRO HG3 A 12 LYS HE2 1.0 1.8 5.3 234 203 A 12 LYS HE3 A 21 PRO HG3 1.0 1.8 5.3 235 204 A 21 PRO HG2 A 12 LYS HE2 1.0 1.8 5.3 236 204 A 12 LYS HE3 A 21 PRO HG2 1.0 1.8 5.3 237 205 A 12 LYS HG3 A 21 PRO HB2 1.0 1.8 5.0 238 206 A 12 LYS HG2 A 21 PRO HB2 1.0 1.8 5.0 239 207 A 11 GLU HA A 12 LYS H 1.0 1.8 2.8 240 208 A 12 LYS H A 11 GLU HB2 1.0 1.8 3.8 241 208 A 11 GLU HB3 A 12 LYS H 1.0 1.8 3.8 242 209 A 12 LYS HA A 12 LYS H 1.0 1.8 3.5 243 210 A 12 LYS HB3 A 12 LYS H 1.0 1.8 3.5 244 211 A 12 LYS HB2 A 12 LYS H 1.0 1.8 3.5 245 212 A 1 LEU HD1% A 12 LYS H 1.0 1.8 5.5 246 213 A 13 CYS HA A 13 CYS HB3 1.0 1.8 3.5 247 214 A 13 CYS HA A 13 CYS HB2 1.0 1.8 3.5 248 215 A 12 LYS HA A 13 CYS H 1.0 1.8 2.8 249 216 A 12 LYS HB3 A 13 CYS H 1.0 1.8 5.0 250 217 A 12 LYS HB2 A 13 CYS H 1.0 1.8 5.0 251 218 A 12 LYS HG3 A 13 CYS H 1.0 1.8 5.0 252 219 A 12 LYS HG2 A 13 CYS H 1.0 1.8 3.5 253 220 A 13 CYS HB3 A 13 CYS H 1.0 1.8 5.0 254 221 A 13 CYS HB2 A 13 CYS H 1.0 1.8 3.5 255 222 A 13 CYS H A 22 TYR HD% 1.0 1.8 6.5 256 223 A 13 CYS H A 22 TYR H 1.0 1.8 3.5 257 224 A 23 TYR HA A 13 CYS H 1.0 1.8 5.0 258 225 A 23 TYR HD% A 13 CYS H 1.0 1.8 5.5 259 226 A 21 PRO HG3 A 14 TRP HA 1.0 1.8 5.0 260 227 A 14 TRP HA A 14 TRP HB3 1.0 1.8 3.5 261 228 A 14 TRP HA A 14 TRP HB2 1.0 1.8 3.5 262 229 A 14 TRP HB3 A 14 TRP HD1 1.0 1.8 3.5 263 230 A 14 TRP HB2 A 14 TRP HD1 1.0 1.8 5.0 264 231 A 14 TRP HD1 A 16 ARG HA 1.0 1.8 3.5 265 232 A 14 TRP HD1 A 16 ARG HB2 1.0 1.8 5.3 266 232 A 14 TRP HD1 A 16 ARG HB3 1.0 1.8 5.3 267 233 A 14 TRP HD1 A 16 ARG HD2 1.0 1.8 5.3 268 233 A 14 TRP HD1 A 16 ARG HD3 1.0 1.8 5.3 269 234 A 14 TRP HD1 A 16 ARG HG3 1.0 1.8 5.0 270 235 A 14 TRP HD1 A 16 ARG HG2 1.0 1.8 5.0 271 236 A 16 ARG HA A 14 TRP HE1 1.0 1.8 3.5 272 237 A 14 TRP HE1 A 19 ASN HA 1.0 1.8 3.5 273 238 A 14 TRP HA A 14 TRP HE3 1.0 1.8 3.5 274 239 A 14 TRP HB3 A 14 TRP HE3 1.0 1.8 5.0 275 240 A 14 TRP HB2 A 14 TRP HE3 1.0 1.8 3.5 276 241 A 14 TRP HE3 A 21 PRO HA 1.0 1.8 3.5 277 242 A 14 TRP HE3 A 21 PRO HB3 1.0 1.8 5.0 278 243 A 21 PRO HG3 A 14 TRP HE3 1.0 1.8 3.5 279 244 A 19 ASN HA A 14 TRP HH2 1.0 1.8 5.0 280 245 A 14 TRP HH2 A 20 ARG HA 1.0 1.8 5.0 281 246 A 14 TRP HH2 A 21 PRO HD3 1.0 1.8 5.0 282 247 A 13 CYS HA A 14 TRP H 1.0 1.8 2.8 283 248 A 13 CYS HB3 A 14 TRP H 1.0 1.8 3.5 284 249 A 13 CYS HB2 A 14 TRP H 1.0 1.8 3.5 285 250 A 14 TRP HA A 14 TRP H 1.0 1.8 3.5 286 251 A 14 TRP HB3 A 14 TRP H 1.0 1.8 3.5 287 252 A 14 TRP HB2 A 14 TRP H 1.0 1.8 3.5 288 253 A 14 TRP H A 22 TYR HE% 1.0 1.8 5.5 289 254 A 19 ASN HA A 14 TRP HZ2 1.0 1.8 3.5 290 255 A 14 TRP HZ2 A 19 ASN HB3 1.0 1.8 5.0 291 256 A 14 TRP HZ2 A 19 ASN HB2 1.0 1.8 5.0 292 257 A 20 ARG HA A 14 TRP HZ2 1.0 1.8 5.0 293 258 A 20 ARG HA A 14 TRP HZ3 1.0 1.8 3.5 294 259 A 21 PRO HD3 A 14 TRP HZ3 1.0 1.8 3.5 295 260 A 14 TRP HZ3 A 21 PRO HD2 1.0 1.8 5.0 296 261 A 21 PRO HG3 A 14 TRP HZ3 1.0 1.8 3.5 297 262 A 15 SER HB3 A 15 SER HA 1.0 1.8 3.5 298 263 A 15 SER HB3 A 18 GLU HB3 1.0 1.8 6.0 299 264 A 15 SER HB3 A 18 GLU HB2 1.0 1.8 5.0 300 265 A 15 SER HA A 15 SER HB2 1.0 1.8 3.5 301 266 A 18 GLU HB3 A 15 SER HB2 1.0 1.8 5.0 302 267 A 18 GLU HB2 A 15 SER HB2 1.0 1.8 5.0 303 268 A 14 TRP HA A 15 SER H 1.0 1.8 3.5 304 269 A 14 TRP HB3 A 15 SER H 1.0 1.8 5.0 305 270 A 14 TRP HB2 A 15 SER H 1.0 1.8 5.0 306 271 A 14 TRP HE3 A 15 SER H 1.0 1.8 5.0 307 272 A 15 SER HB3 A 15 SER H 1.0 1.8 3.5 308 273 A 15 SER HB2 A 15 SER H 1.0 1.8 3.5 309 274 A 15 SER H A 20 ARG H 1.0 1.8 3.5 310 275 A 21 PRO HA A 15 SER H 1.0 1.8 3.5 311 276 A 22 TYR HD% A 15 SER H 1.0 1.8 5.5 312 277 A 22 TYR HE% A 15 SER H 1.0 1.8 5.5 313 278 A 16 ARG HA A 16 ARG HB2 1.0 1.8 3.8 314 278 A 16 ARG HA A 16 ARG HB3 1.0 1.8 3.8 315 279 A 16 ARG HA A 16 ARG HG2 1.0 1.8 3.5 316 280 A 16 ARG HB3 A 16 ARG HD2 1.0 1.8 5.6 317 280 A 16 ARG HB2 A 16 ARG HD2 1.0 1.8 5.6 318 280 A 16 ARG HD3 A 16 ARG HB2 1.0 1.8 5.6 319 280 A 16 ARG HB3 A 16 ARG HD3 1.0 1.8 5.6 320 281 A 16 ARG HA A 16 ARG HD2 1.0 1.8 5.3 321 281 A 16 ARG HA A 16 ARG HD3 1.0 1.8 5.3 322 282 A 16 ARG HG3 A 16 ARG HD2 1.0 1.8 3.8 323 282 A 16 ARG HD3 A 16 ARG HG3 1.0 1.8 3.8 324 283 A 16 ARG HG2 A 16 ARG HD2 1.0 1.8 3.8 325 283 A 16 ARG HD3 A 16 ARG HG2 1.0 1.8 3.8 326 284 A 16 ARG HA A 16 ARG HG3 1.0 1.8 3.5 327 285 A 15 SER HA A 16 ARG H 1.0 1.8 5.0 328 286 A 16 ARG HA A 16 ARG H 1.0 1.8 5.0 329 287 A 16 ARG H A 16 ARG HB2 1.0 1.8 5.3 330 287 A 16 ARG HB3 A 16 ARG H 1.0 1.8 5.3 331 288 A 16 ARG H A 17 ARG H 1.0 1.8 5.0 332 289 A 17 ARG HA A 17 ARG HB3 1.0 1.8 3.5 333 290 A 17 ARG HA A 17 ARG HB2 1.0 1.8 3.5 334 291 A 17 ARG HA A 17 ARG HG2 1.0 1.8 3.5 335 292 A 17 ARG HB2 A 17 ARG HD3 1.0 1.8 3.5 336 293 A 17 ARG HB2 A 17 ARG HD2 1.0 1.8 3.5 337 294 A 17 ARG HA A 17 ARG HD3 1.0 1.8 5.0 338 295 A 17 ARG HB3 A 17 ARG HD3 1.0 1.8 3.5 339 296 A 17 ARG HD3 A 17 ARG HG3 1.0 1.8 3.5 340 297 A 17 ARG HG2 A 17 ARG HD3 1.0 1.8 3.5 341 298 A 17 ARG HA A 17 ARG HD2 1.0 1.8 5.0 342 299 A 17 ARG HB3 A 17 ARG HD2 1.0 1.8 3.5 343 300 A 17 ARG HD2 A 17 ARG HG3 1.0 1.8 3.5 344 301 A 17 ARG HG2 A 17 ARG HD2 1.0 1.8 3.5 345 302 A 17 ARG HA A 17 ARG HG3 1.0 1.8 3.5 346 303 A 16 ARG HA A 17 ARG H 1.0 1.8 5.0 347 304 A 17 ARG H A 16 ARG HB2 1.0 1.8 3.8 348 304 A 16 ARG HB3 A 17 ARG H 1.0 1.8 3.8 349 305 A 17 ARG H A 17 ARG HA 1.0 1.8 3.5 350 306 A 17 ARG H A 17 ARG HB3 1.0 1.8 3.5 351 307 A 17 ARG H A 17 ARG HB2 1.0 1.8 3.5 352 308 A 17 ARG H A 18 GLU H 1.0 1.8 3.5 353 309 A 18 GLU HB3 A 18 GLU HA 1.0 1.8 3.5 354 310 A 18 GLU HB2 A 18 GLU HA 1.0 1.8 3.5 355 311 A 18 GLU HA A 18 GLU HG3 1.0 1.8 3.5 356 312 A 18 GLU HA A 18 GLU HG2 1.0 1.8 3.5 357 313 A 17 ARG HA A 18 GLU H 1.0 1.8 3.5 358 314 A 17 ARG HB3 A 18 GLU H 1.0 1.8 3.5 359 315 A 17 ARG HB2 A 18 GLU H 1.0 1.8 3.5 360 316 A 18 GLU H A 18 GLU HA 1.0 1.8 3.5 361 317 A 18 GLU HB3 A 18 GLU H 1.0 1.8 3.5 362 318 A 18 GLU HB2 A 18 GLU H 1.0 1.8 3.5 363 319 A 18 GLU H A 18 GLU HG3 1.0 1.8 5.0 364 320 A 18 GLU H A 18 GLU HG2 1.0 1.8 3.5 365 321 A 19 ASN HA A 19 ASN HB3 1.0 1.8 3.5 366 322 A 19 ASN HA A 19 ASN HB2 1.0 1.8 3.5 367 323 A 19 ASN HB3 A 19 ASN HD21 1.0 1.8 3.5 368 324 A 19 ASN HB2 A 19 ASN HD21 1.0 1.8 5.0 369 325 A 14 TRP HE1 A 19 ASN H 1.0 1.8 5.0 370 326 A 18 GLU HB3 A 19 ASN H 1.0 1.8 3.5 371 327 A 18 GLU HB2 A 19 ASN H 1.0 1.8 3.5 372 328 A 18 GLU H A 19 ASN H 1.0 1.8 3.5 373 329 A 19 ASN HA A 19 ASN H 1.0 1.8 2.8 374 330 A 19 ASN HB3 A 19 ASN H 1.0 1.8 3.5 375 331 A 19 ASN HB2 A 19 ASN H 1.0 1.8 3.5 376 332 A 20 ARG H A 19 ASN H 1.0 1.8 3.5 377 333 A 20 ARG HA A 20 ARG HB3 1.0 1.8 3.5 378 334 A 20 ARG HA A 20 ARG HG3 1.0 1.8 5.0 379 335 A 20 ARG HA A 21 PRO HD3 1.0 1.8 3.5 380 336 A 20 ARG HA A 21 PRO HD2 1.0 1.8 3.5 381 337 A 20 ARG HB3 A 20 ARG HD3 1.0 1.8 5.0 382 338 A 20 ARG HB3 A 20 ARG HD2 1.0 1.8 5.0 383 339 A 20 ARG HB3 A 20 ARG HG3 1.0 1.8 5.0 384 340 A 21 PRO HD3 A 20 ARG HB3 1.0 1.8 3.5 385 341 A 21 PRO HD2 A 20 ARG HB3 1.0 1.8 3.5 386 342 A 20 ARG HA A 20 ARG HB2 1.0 1.8 3.5 387 343 A 20 ARG HD3 A 20 ARG HB2 1.0 1.8 5.0 388 344 A 20 ARG HD2 A 20 ARG HB2 1.0 1.8 5.0 389 345 A 20 ARG HG3 A 20 ARG HB2 1.0 1.8 3.5 390 346 A 21 PRO HD3 A 20 ARG HB2 1.0 1.8 5.0 391 347 A 21 PRO HD2 A 20 ARG HB2 1.0 1.8 5.0 392 348 A 20 ARG HA A 20 ARG HD3 1.0 1.8 5.0 393 349 A 20 ARG HG3 A 20 ARG HD3 1.0 1.8 3.5 394 350 A 20 ARG HD3 A 20 ARG HG2 1.0 1.8 3.5 395 351 A 20 ARG HA A 20 ARG HD2 1.0 1.8 5.0 396 352 A 20 ARG HG3 A 20 ARG HD2 1.0 1.8 3.5 397 353 A 20 ARG HD2 A 20 ARG HG2 1.0 1.8 3.5 398 354 A 20 ARG HA A 20 ARG HG2 1.0 1.8 5.0 399 355 A 15 SER HB3 A 20 ARG H 1.0 1.8 3.5 400 356 A 19 ASN HA A 20 ARG H 1.0 1.8 2.8 401 357 A 20 ARG H A 20 ARG HB3 1.0 1.8 3.5 402 358 A 20 ARG H A 20 ARG HB2 1.0 1.8 5.0 403 359 A 20 ARG H A 20 ARG HG3 1.0 1.8 3.5 404 360 A 14 TRP HA A 21 PRO HA 1.0 1.8 3.5 405 361 A 14 TRP HB3 A 21 PRO HA 1.0 1.8 5.0 406 362 A 14 TRP HB2 A 21 PRO HA 1.0 1.8 5.0 407 363 A 14 TRP HA A 21 PRO HB3 1.0 1.8 5.0 408 364 A 21 PRO HB2 A 12 LYS HE2 1.0 1.8 5.3 409 364 A 12 LYS HE3 A 21 PRO HB2 1.0 1.8 5.3 410 365 A 21 PRO HB2 A 14 TRP HA 1.0 1.8 5.0 411 366 A 22 TYR HB3 A 22 TYR HA 1.0 1.8 3.5 412 367 A 22 TYR HB3 A 33 TRP HA 1.0 1.8 5.0 413 368 A 22 TYR HA A 22 TYR HB2 1.0 1.8 3.5 414 369 A 33 TRP HA A 22 TYR HB2 1.0 1.8 5.0 415 370 A 13 CYS HB2 A 22 TYR HD% 1.0 1.8 5.5 416 371 A 22 TYR HD% A 15 SER HA 1.0 1.8 5.5 417 372 A 22 TYR HD% A 15 SER HB3 1.0 1.8 5.5 418 373 A 22 TYR HD% A 15 SER HB2 1.0 1.8 5.5 419 374 A 22 TYR HD% A 22 TYR HA 1.0 1.8 5.5 420 375 A 22 TYR HD% A 22 TYR HB3 1.0 1.8 5.5 421 376 A 22 TYR HD% A 22 TYR HB2 1.0 1.8 5.5 422 377 A 23 TYR HA A 22 TYR HD% 1.0 1.8 5.5 423 378 A 22 TYR HD% A 24 PHE HB2 1.0 1.8 5.5 424 379 A 31 SER HA A 22 TYR HD% 1.0 1.8 5.5 425 380 A 22 TYR HD% A 31 SER HB2 1.0 1.8 5.8 426 380 A 22 TYR HD% A 31 SER HB3 1.0 1.8 5.8 427 381 A 13 CYS HB3 A 22 TYR HE% 1.0 1.8 5.5 428 382 A 13 CYS HB2 A 22 TYR HE% 1.0 1.8 5.5 429 383 A 22 TYR HE% A 15 SER HA 1.0 1.8 4.0 430 384 A 22 TYR HE% A 15 SER HB3 1.0 1.8 5.5 431 385 A 22 TYR HE% A 15 SER HB2 1.0 1.8 5.5 432 386 A 22 TYR HE% A 24 PHE HB3 1.0 1.8 5.5 433 387 A 22 TYR HE% A 24 PHE HB2 1.0 1.8 5.5 434 388 A 22 TYR HE% A 31 SER HB2 1.0 1.8 5.8 435 388 A 22 TYR HE% A 31 SER HB3 1.0 1.8 5.8 436 389 A 12 LYS HG2 A 22 TYR H 1.0 1.8 5.0 437 390 A 13 CYS HB2 A 22 TYR H 1.0 1.8 5.0 438 391 A 22 TYR H A 14 TRP HA 1.0 1.8 5.0 439 392 A 22 TYR H A 21 PRO HA 1.0 1.8 2.8 440 393 A 22 TYR H A 21 PRO HB3 1.0 1.8 3.5 441 394 A 21 PRO HB2 A 22 TYR H 1.0 1.8 3.5 442 395 A 22 TYR H A 22 TYR HA 1.0 1.8 3.5 443 396 A 22 TYR H A 22 TYR HB3 1.0 1.8 5.0 444 397 A 22 TYR HD% A 22 TYR H 1.0 1.8 4.0 445 398 A 23 TYR HA A 12 LYS HA 1.0 1.8 3.5 446 399 A 23 TYR HA A 12 LYS HG2 1.0 1.8 5.0 447 400 A 23 TYR HA A 23 TYR HB3 1.0 1.8 3.5 448 401 A 23 TYR HB3 A 32 LEU HB3 1.0 1.8 5.0 449 402 A 23 TYR HB3 A 32 LEU HB2 1.0 1.8 5.0 450 403 A 23 TYR HB3 A 32 LEU HD1% 1.0 1.8 6.5 451 404 A 23 TYR HB3 A 36 PRO HB3 1.0 1.8 5.0 452 405 A 23 TYR HA A 23 TYR HB2 1.0 1.8 3.5 453 406 A 23 TYR HB2 A 32 LEU HB3 1.0 1.8 5.0 454 407 A 23 TYR HB2 A 32 LEU HB2 1.0 1.8 5.0 455 408 A 23 TYR HB2 A 32 LEU HD1% 1.0 1.8 6.5 456 409 A 23 TYR HB2 A 36 PRO HB3 1.0 1.8 5.0 457 410 A 1 LEU HD1% A 23 TYR HD% 1.0 1.8 6.0 458 411 A 1 LEU HD2% A 23 TYR HD% 1.0 1.8 6.0 459 412 A 23 TYR HA A 23 TYR HD% 1.0 1.8 4.0 460 413 A 23 TYR HB3 A 23 TYR HD% 1.0 1.8 4.0 461 414 A 23 TYR HB2 A 23 TYR HD% 1.0 1.8 4.0 462 415 A 23 TYR HD% A 33 TRP HA 1.0 1.8 5.5 463 416 A 23 TYR HD% A 34 GLU HA 1.0 1.8 5.5 464 417 A 23 TYR HD% A 35 MET HA 1.0 1.8 5.5 465 418 A 23 TYR HD% A 35 MET HB2 1.0 1.8 5.5 466 419 A 23 TYR HD% A 35 MET HG2 1.0 1.8 5.5 467 420 A 23 TYR HD% A 36 PRO HD3 1.0 1.8 5.5 468 421 A 23 TYR HE% A 12 LYS HD2 1.0 1.8 5.8 469 421 A 12 LYS HD3 A 23 TYR HE% 1.0 1.8 5.8 470 422 A 23 TYR HE% A 12 LYS HE2 1.0 1.8 5.8 471 422 A 12 LYS HE3 A 23 TYR HE% 1.0 1.8 5.8 472 423 A 12 LYS HG3 A 23 TYR HE% 1.0 1.8 5.5 473 424 A 1 LEU HD1% A 23 TYR HE% 1.0 1.8 6.0 474 425 A 1 LEU HD2% A 23 TYR HE% 1.0 1.8 6.0 475 426 A 34 GLU HA A 23 TYR HE% 1.0 1.8 5.5 476 427 A 35 MET HA A 23 TYR HE% 1.0 1.8 5.5 477 428 A 35 MET HB2 A 23 TYR HE% 1.0 1.8 5.5 478 429 A 35 MET HG2 A 23 TYR HE% 1.0 1.8 5.5 479 430 A 22 TYR HA A 23 TYR H 1.0 1.8 3.5 480 431 A 22 TYR HB3 A 23 TYR H 1.0 1.8 3.5 481 432 A 22 TYR HB2 A 23 TYR H 1.0 1.8 3.5 482 433 A 22 TYR HD% A 23 TYR H 1.0 1.8 5.5 483 434 A 23 TYR HA A 23 TYR H 1.0 1.8 5.0 484 435 A 23 TYR HB2 A 23 TYR H 1.0 1.8 3.5 485 436 A 23 TYR HD% A 23 TYR H 1.0 1.8 4.0 486 437 A 32 LEU HB2 A 23 TYR H 1.0 1.8 5.0 487 438 A 33 TRP HA A 23 TYR H 1.0 1.8 5.0 488 439 A 24 PHE HB3 A 11 GLU HB2 1.0 1.8 6.3 489 439 A 11 GLU HB3 A 24 PHE HB3 1.0 1.8 6.3 490 440 A 24 PHE HA A 24 PHE HB3 1.0 1.8 3.5 491 441 A 24 PHE HA A 24 PHE HB2 1.0 1.8 3.5 492 442 A 24 PHE HD% A 11 GLU HB2 1.0 1.8 6.8 493 442 A 11 GLU HB3 A 24 PHE HD% 1.0 1.8 6.8 494 443 A 11 GLU HG3 A 24 PHE HD% 1.0 1.8 5.5 495 444 A 22 TYR HD% A 24 PHE HD% 1.0 1.8 7.0 496 445 A 22 TYR HE% A 24 PHE HD% 1.0 1.8 6.0 497 446 A 24 PHE HA A 24 PHE HD% 1.0 1.8 5.5 498 447 A 24 PHE HB3 A 24 PHE HD% 1.0 1.8 4.0 499 448 A 24 PHE HB2 A 24 PHE HD% 1.0 1.8 5.5 500 449 A 31 SER HA A 24 PHE HD% 1.0 1.8 5.5 501 450 A 24 PHE HD% A 31 SER HB2 1.0 1.8 5.8 502 450 A 31 SER HB3 A 24 PHE HD% 1.0 1.8 5.8 503 451 A 24 PHE HE% A 26 ARG HA 1.0 1.8 4.0 504 452 A 24 PHE HE% A 26 ARG HB3 1.0 1.8 5.5 505 453 A 24 PHE HE% A 26 ARG HB2 1.0 1.8 5.5 506 454 A 24 PHE HE% A 29 ASN HA 1.0 1.8 4.0 507 455 A 10 TRP HE3 A 24 PHE H 1.0 1.8 3.5 508 456 A 12 LYS HA A 24 PHE H 1.0 1.8 5.0 509 457 A 23 TYR HA A 24 PHE H 1.0 1.8 2.8 510 458 A 23 TYR HB3 A 24 PHE H 1.0 1.8 3.5 511 459 A 23 TYR HD% A 24 PHE H 1.0 1.8 5.5 512 460 A 24 PHE HA A 24 PHE H 1.0 1.8 5.0 513 461 A 24 PHE HB3 A 24 PHE H 1.0 1.8 3.5 514 462 A 24 PHE HB2 A 24 PHE H 1.0 1.8 3.5 515 463 A 26 ARG HA A 24 PHE HZ 1.0 1.8 3.5 516 464 A 29 ASN HA A 24 PHE HZ 1.0 1.8 3.5 517 465 A 10 TRP HA A 25 ASN HB3 1.0 1.8 5.0 518 466 A 25 ASN HA A 25 ASN HB3 1.0 1.8 3.5 519 467 A 30 GLN HB3 A 25 ASN HB3 1.0 1.8 5.0 520 468 A 25 ASN HB3 A 30 GLN HB2 1.0 1.8 5.0 521 469 A 10 TRP HA A 25 ASN HB2 1.0 1.8 5.0 522 470 A 25 ASN HA A 25 ASN HB2 1.0 1.8 3.5 523 471 A 25 ASN HB2 A 30 GLN HB3 1.0 1.8 5.0 524 472 A 25 ASN HB2 A 30 GLN HB2 1.0 1.8 5.0 525 473 A 25 ASN HD21 A 10 TRP HE1 1.0 1.8 5.0 526 474 A 10 TRP HZ2 A 25 ASN HD21 1.0 1.8 5.0 527 475 A 25 ASN HB3 A 25 ASN HD21 1.0 1.8 3.5 528 476 A 25 ASN HB2 A 25 ASN HD21 1.0 1.8 3.5 529 477 A 8 ALA HB% A 25 ASN HD21 1.0 1.8 6.5 530 478 A 9 GLY HA3 A 25 ASN HD21 1.0 1.8 5.0 531 479 A 10 TRP HE1 A 25 ASN HD22 1.0 1.8 5.0 532 480 A 10 TRP HZ2 A 25 ASN HD22 1.0 1.8 5.0 533 481 A 25 ASN HB3 A 25 ASN HD22 1.0 1.8 5.0 534 482 A 25 ASN HD22 A 28 THR HG2% 1.0 1.8 5.5 535 483 A 8 ALA HB% A 25 ASN HD22 1.0 1.8 5.5 536 484 A 9 GLY HA3 A 25 ASN HD22 1.0 1.8 3.5 537 485 A 10 TRP HZ3 A 25 ASN H 1.0 1.8 3.5 538 486 A 24 PHE HA A 25 ASN H 1.0 1.8 2.8 539 487 A 24 PHE HB3 A 25 ASN H 1.0 1.8 5.0 540 488 A 24 PHE HB2 A 25 ASN H 1.0 1.8 5.0 541 489 A 25 ASN HA A 25 ASN H 1.0 1.8 3.5 542 490 A 25 ASN HB3 A 25 ASN H 1.0 1.8 3.5 543 491 A 25 ASN HB2 A 25 ASN H 1.0 1.8 3.5 544 492 A 30 GLN HB3 A 25 ASN H 1.0 1.8 5.0 545 493 A 30 GLN HB2 A 25 ASN H 1.0 1.8 5.0 546 494 A 25 ASN H A 30 GLN H 1.0 1.8 3.5 547 495 A 31 SER HA A 25 ASN H 1.0 1.8 3.5 548 496 A 26 ARG HA A 26 ARG HB3 1.0 1.8 3.5 549 497 A 26 ARG HA A 26 ARG HB2 1.0 1.8 3.5 550 498 A 26 ARG HA A 26 ARG HD3 1.0 1.8 5.0 551 499 A 26 ARG HA A 26 ARG HD2 1.0 1.8 5.0 552 500 A 26 ARG HA A 26 ARG HG3 1.0 1.8 5.0 553 501 A 26 ARG HA A 26 ARG HG2 1.0 1.8 5.0 554 502 A 26 ARG HA A 29 ASN HA 1.0 1.8 5.0 555 503 A 26 ARG HB3 A 26 ARG HD3 1.0 1.8 3.5 556 504 A 26 ARG HB3 A 26 ARG HD2 1.0 1.8 3.5 557 505 A 26 ARG HB3 A 26 ARG HG3 1.0 1.8 5.0 558 506 A 26 ARG HB3 A 26 ARG HG2 1.0 1.8 5.0 559 507 A 26 ARG HB2 A 26 ARG HD3 1.0 1.8 3.5 560 508 A 26 ARG HB2 A 26 ARG HD2 1.0 1.8 3.5 561 509 A 26 ARG HB2 A 26 ARG HG3 1.0 1.8 5.0 562 510 A 26 ARG HB2 A 26 ARG HG2 1.0 1.8 5.0 563 511 A 26 ARG HD3 A 26 ARG HG3 1.0 1.8 5.0 564 512 A 26 ARG HD3 A 26 ARG HG2 1.0 1.8 5.0 565 513 A 26 ARG HD2 A 26 ARG HG3 1.0 1.8 3.5 566 514 A 26 ARG HD2 A 26 ARG HG2 1.0 1.8 3.5 567 515 A 10 TRP HA A 26 ARG H 1.0 1.8 3.5 568 516 A 24 PHE HE% A 26 ARG H 1.0 1.8 5.5 569 517 A 25 ASN HA A 26 ARG H 1.0 1.8 2.8 570 518 A 25 ASN HB3 A 26 ARG H 1.0 1.8 5.0 571 519 A 25 ASN HB2 A 26 ARG H 1.0 1.8 5.0 572 520 A 26 ARG HA A 26 ARG H 1.0 1.8 3.5 573 521 A 26 ARG HB3 A 26 ARG H 1.0 1.8 3.5 574 522 A 26 ARG HB2 A 26 ARG H 1.0 1.8 3.5 575 523 A 26 ARG HD3 A 26 ARG H 1.0 1.8 5.0 576 524 A 26 ARG HG3 A 26 ARG H 1.0 1.8 3.5 577 525 A 26 ARG HG2 A 26 ARG H 1.0 1.8 3.5 578 526 A 26 ARG H A 27 PHE H 1.0 1.8 3.5 579 527 A 27 PHE HB3 A 27 PHE HA 1.0 1.8 3.5 580 528 A 27 PHE HA A 27 PHE HB2 1.0 1.8 3.5 581 529 A 26 ARG HG3 A 27 PHE HD% 1.0 1.8 5.5 582 530 A 26 ARG HG2 A 27 PHE HD% 1.0 1.8 5.5 583 531 A 27 PHE HA A 27 PHE HD% 1.0 1.8 4.0 584 532 A 27 PHE HB3 A 27 PHE HD% 1.0 1.8 5.5 585 533 A 27 PHE HB2 A 27 PHE HD% 1.0 1.8 4.0 586 534 A 8 ALA HA A 27 PHE HD% 1.0 1.8 5.5 587 535 A 9 GLY HA3 A 27 PHE HD% 1.0 1.8 5.5 588 536 A 9 GLY HA2 A 27 PHE HD% 1.0 1.8 5.5 589 537 A 25 ASN HA A 27 PHE H 1.0 1.8 5.0 590 538 A 26 ARG HA A 27 PHE H 1.0 1.8 5.0 591 539 A 26 ARG HB3 A 27 PHE H 1.0 1.8 5.0 592 540 A 26 ARG HB2 A 27 PHE H 1.0 1.8 5.0 593 541 A 26 ARG HG3 A 27 PHE H 1.0 1.8 5.0 594 542 A 26 ARG HG2 A 27 PHE H 1.0 1.8 5.0 595 543 A 27 PHE H A 27 PHE HA 1.0 1.8 3.5 596 544 A 27 PHE H A 27 PHE HB3 1.0 1.8 2.8 597 545 A 27 PHE H A 27 PHE HB2 1.0 1.8 2.8 598 546 A 27 PHE H A 27 PHE HD% 1.0 1.8 5.5 599 547 A 27 PHE H A 28 THR H 1.0 1.8 2.8 600 548 A 28 THR HG2% A 27 PHE HB3 1.0 1.8 5.5 601 549 A 28 THR HG2% A 27 PHE HB2 1.0 1.8 5.5 602 550 A 28 THR HG2% A 28 THR HA 1.0 1.8 4.0 603 551 A 25 ASN HB3 A 28 THR H 1.0 1.8 5.0 604 552 A 25 ASN HB2 A 28 THR H 1.0 1.8 5.0 605 553 A 27 PHE HA A 28 THR H 1.0 1.8 5.0 606 554 A 27 PHE HB3 A 28 THR H 1.0 1.8 3.5 607 555 A 27 PHE HB2 A 28 THR H 1.0 1.8 3.5 608 556 A 28 THR H A 28 THR HA 1.0 1.8 3.5 609 557 A 28 THR HG2% A 28 THR H 1.0 1.8 4.0 610 558 A 29 ASN HA A 29 ASN HB3 1.0 1.8 3.5 611 559 A 29 ASN HA A 29 ASN HB2 1.0 1.8 3.5 612 560 A 29 ASN HB3 A 29 ASN HD21 1.0 1.8 5.0 613 561 A 25 ASN HB3 A 29 ASN H 1.0 1.8 5.0 614 562 A 25 ASN HB2 A 29 ASN H 1.0 1.8 5.0 615 563 A 26 ARG HA A 29 ASN H 1.0 1.8 5.0 616 564 A 28 THR HA A 29 ASN H 1.0 1.8 3.5 617 565 A 28 THR HG2% A 29 ASN H 1.0 1.8 5.5 618 566 A 28 THR H A 29 ASN H 1.0 1.8 2.8 619 567 A 29 ASN HA A 29 ASN H 1.0 1.8 2.8 620 568 A 29 ASN HB3 A 29 ASN H 1.0 1.8 3.5 621 569 A 29 ASN HB2 A 29 ASN H 1.0 1.8 3.5 622 570 A 30 GLN HB3 A 30 GLN HA 1.0 1.8 3.5 623 571 A 30 GLN HB2 A 30 GLN HA 1.0 1.8 3.5 624 572 A 30 GLN HE21 A 30 GLN HG3 1.0 1.8 3.5 625 573 A 30 GLN HG2 A 30 GLN HE21 1.0 1.8 3.5 626 574 A 32 LEU HD1% A 30 GLN HE21 1.0 1.8 6.5 627 575 A 32 LEU HD2% A 30 GLN HE21 1.0 1.8 5.5 628 576 A 32 LEU HD1% A 30 GLN HE22 1.0 1.8 6.5 629 577 A 32 LEU HD2% A 30 GLN HE22 1.0 1.8 5.5 630 578 A 30 GLN HA A 30 GLN HG3 1.0 1.8 3.5 631 579 A 30 GLN HB3 A 30 GLN HG3 1.0 1.8 3.5 632 580 A 30 GLN HB2 A 30 GLN HG3 1.0 1.8 3.5 633 581 A 32 LEU HD2% A 30 GLN HG3 1.0 1.8 5.5 634 582 A 30 GLN HG2 A 30 GLN HA 1.0 1.8 3.5 635 583 A 30 GLN HB3 A 30 GLN HG2 1.0 1.8 3.5 636 584 A 30 GLN HG2 A 30 GLN HB2 1.0 1.8 3.5 637 585 A 30 GLN HG2 A 32 LEU HD2% 1.0 1.8 5.5 638 586 A 25 ASN HB3 A 30 GLN H 1.0 1.8 3.5 639 587 A 25 ASN HB2 A 30 GLN H 1.0 1.8 3.5 640 588 A 30 GLN H A 28 THR H 1.0 1.8 5.0 641 589 A 29 ASN HA A 30 GLN H 1.0 1.8 3.5 642 590 A 30 GLN H A 29 ASN HB3 1.0 1.8 5.0 643 591 A 30 GLN H A 29 ASN HB2 1.0 1.8 5.0 644 592 A 30 GLN H A 29 ASN H 1.0 1.8 3.5 645 593 A 30 GLN H A 30 GLN HA 1.0 1.8 3.5 646 594 A 30 GLN HB3 A 30 GLN H 1.0 1.8 3.5 647 595 A 30 GLN HB2 A 30 GLN H 1.0 1.8 3.5 648 596 A 30 GLN H A 30 GLN HG3 1.0 1.8 3.5 649 597 A 24 PHE HA A 31 SER HA 1.0 1.8 3.5 650 598 A 31 SER HA A 24 PHE HB2 1.0 1.8 5.0 651 599 A 24 PHE HA A 31 SER HB2 1.0 1.8 6.3 652 599 A 24 PHE HA A 31 SER HB3 1.0 1.8 6.3 653 600 A 31 SER HA A 31 SER HB2 1.0 1.8 3.8 654 600 A 31 SER HA A 31 SER HB3 1.0 1.8 3.8 655 601 A 30 GLN HA A 31 SER H 1.0 1.8 2.8 656 602 A 30 GLN HB3 A 31 SER H 1.0 1.8 3.5 657 603 A 31 SER HA A 31 SER H 1.0 1.8 3.5 658 604 A 31 SER H A 31 SER HB2 1.0 1.8 3.8 659 604 A 31 SER HB3 A 31 SER H 1.0 1.8 3.8 660 605 A 32 LEU HB3 A 32 LEU HA 1.0 1.8 3.5 661 606 A 32 LEU HB2 A 32 LEU HA 1.0 1.8 3.5 662 607 A 32 LEU HD1% A 32 LEU HA 1.0 1.8 5.5 663 608 A 32 LEU HD2% A 32 LEU HA 1.0 1.8 4.0 664 609 A 32 LEU HD1% A 32 LEU HB2 1.0 1.8 5.5 665 610 A 32 LEU HD2% A 32 LEU HB2 1.0 1.8 5.5 666 611 A 32 LEU HD1% A 32 LEU HB3 1.0 1.8 5.5 667 612 A 32 LEU HD2% A 32 LEU HB3 1.0 1.8 5.5 668 613 A 32 LEU HD2% A 36 PRO HA 1.0 1.8 6.5 669 614 A 32 LEU HG A 32 LEU HA 1.0 1.8 5.0 670 615 A 10 TRP HZ3 A 32 LEU H 1.0 1.8 5.0 671 616 A 22 TYR HD% A 32 LEU H 1.0 1.8 5.5 672 617 A 23 TYR HB3 A 32 LEU H 1.0 1.8 5.0 673 618 A 23 TYR HB2 A 32 LEU H 1.0 1.8 5.0 674 619 A 23 TYR H A 32 LEU H 1.0 1.8 3.5 675 620 A 24 PHE HA A 32 LEU H 1.0 1.8 5.0 676 621 A 31 SER HA A 32 LEU H 1.0 1.8 2.8 677 622 A 32 LEU H A 31 SER HB2 1.0 1.8 5.3 678 622 A 31 SER HB3 A 32 LEU H 1.0 1.8 5.3 679 623 A 32 LEU HB3 A 32 LEU H 1.0 1.8 5.0 680 624 A 32 LEU HB2 A 32 LEU H 1.0 1.8 3.5 681 625 A 32 LEU HD1% A 32 LEU H 1.0 1.8 6.5 682 626 A 32 LEU HD2% A 32 LEU H 1.0 1.8 6.5 683 627 A 22 TYR HA A 33 TRP HA 1.0 1.8 3.5 684 628 A 33 TRP HA A 33 TRP HB3 1.0 1.8 3.5 685 629 A 33 TRP HA A 33 TRP HB2 1.0 1.8 3.5 686 630 A 33 TRP HB3 A 34 GLU HG2 1.0 1.8 6.3 687 630 A 33 TRP HB3 A 34 GLU HG3 1.0 1.8 6.3 688 631 A 33 TRP HB2 A 34 GLU HG2 1.0 1.8 6.3 689 631 A 33 TRP HB2 A 34 GLU HG3 1.0 1.8 6.3 690 632 A 32 LEU HA A 33 TRP HD1 1.0 1.8 5.0 691 633 A 33 TRP HA A 33 TRP HD1 1.0 1.8 5.0 692 634 A 33 TRP HB3 A 33 TRP HD1 1.0 1.8 3.5 693 635 A 33 TRP HB2 A 33 TRP HD1 1.0 1.8 3.5 694 636 A 20 ARG HD3 A 33 TRP HE3 1.0 1.8 5.0 695 637 A 20 ARG HG3 A 33 TRP HE3 1.0 1.8 5.0 696 638 A 20 ARG HG2 A 33 TRP HE3 1.0 1.8 5.0 697 639 A 22 TYR HA A 33 TRP HE3 1.0 1.8 3.5 698 640 A 22 TYR HB3 A 33 TRP HE3 1.0 1.8 5.0 699 641 A 22 TYR HB2 A 33 TRP HE3 1.0 1.8 5.0 700 642 A 22 TYR HD% A 33 TRP HE3 1.0 1.8 5.5 701 643 A 33 TRP HA A 33 TRP HE3 1.0 1.8 3.5 702 644 A 33 TRP HB3 A 33 TRP HE3 1.0 1.8 3.5 703 645 A 33 TRP HB2 A 33 TRP HE3 1.0 1.8 5.0 704 646 A 15 SER HB3 A 33 TRP HH2 1.0 1.8 5.0 705 647 A 15 SER HB2 A 33 TRP HH2 1.0 1.8 5.0 706 648 A 18 GLU HB2 A 33 TRP HH2 1.0 1.8 5.0 707 649 A 18 GLU HG3 A 33 TRP HH2 1.0 1.8 5.0 708 650 A 18 GLU HG2 A 33 TRP HH2 1.0 1.8 3.5 709 651 A 22 TYR HD% A 33 TRP HH2 1.0 1.8 5.5 710 652 A 32 LEU HA A 33 TRP H 1.0 1.8 3.5 711 653 A 32 LEU HB3 A 33 TRP H 1.0 1.8 3.5 712 654 A 32 LEU HB2 A 33 TRP H 1.0 1.8 3.5 713 655 A 32 LEU HD1% A 33 TRP H 1.0 1.8 6.5 714 656 A 32 LEU HD2% A 33 TRP H 1.0 1.8 5.5 715 657 A 33 TRP HA A 33 TRP H 1.0 1.8 3.5 716 658 A 33 TRP HB2 A 33 TRP H 1.0 1.8 3.5 717 659 A 33 TRP HD1 A 33 TRP H 1.0 1.8 3.5 718 660 A 33 TRP H A 34 GLU H 1.0 1.8 2.8 719 661 A 18 GLU HG3 A 33 TRP HZ2 1.0 1.8 5.0 720 662 A 18 GLU HG2 A 33 TRP HZ2 1.0 1.8 5.0 721 663 A 15 SER HB3 A 33 TRP HZ3 1.0 1.8 5.0 722 664 A 15 SER HB2 A 33 TRP HZ3 1.0 1.8 5.0 723 665 A 20 ARG HD3 A 33 TRP HZ3 1.0 1.8 5.0 724 666 A 20 ARG HG3 A 33 TRP HZ3 1.0 1.8 5.0 725 667 A 20 ARG HG2 A 33 TRP HZ3 1.0 1.8 5.0 726 668 A 22 TYR HB3 A 33 TRP HZ3 1.0 1.8 5.0 727 669 A 22 TYR HB2 A 33 TRP HZ3 1.0 1.8 5.0 728 670 A 22 TYR HD% A 33 TRP HZ3 1.0 1.8 5.5 729 671 A 34 GLU HA A 34 GLU HB3 1.0 1.8 3.5 730 672 A 34 GLU HA A 34 GLU HB2 1.0 1.8 3.5 731 673 A 34 GLU HA A 34 GLU HG2 1.0 1.8 3.8 732 673 A 34 GLU HA A 34 GLU HG3 1.0 1.8 3.8 733 674 A 23 TYR HD% A 34 GLU H 1.0 1.8 5.5 734 675 A 32 LEU HB2 A 34 GLU H 1.0 1.8 3.5 735 676 A 32 LEU HD1% A 34 GLU H 1.0 1.8 5.5 736 677 A 32 LEU HD2% A 34 GLU H 1.0 1.8 5.5 737 678 A 33 TRP HA A 34 GLU H 1.0 1.8 3.5 738 679 A 33 TRP HB3 A 34 GLU H 1.0 1.8 5.0 739 680 A 33 TRP HB2 A 34 GLU H 1.0 1.8 3.5 740 681 A 34 GLU HA A 34 GLU H 1.0 1.8 3.5 741 682 A 34 GLU H A 34 GLU HB3 1.0 1.8 3.5 742 683 A 34 GLU H A 34 GLU HB2 1.0 1.8 2.8 743 684 A 34 GLU H A 34 GLU HG2 1.0 1.8 5.3 744 684 A 34 GLU HG3 A 34 GLU H 1.0 1.8 5.3 745 685 A 35 MET HA A 36 PRO HD3 1.0 1.8 3.5 746 686 A 35 MET HA A 36 PRO HD2 1.0 1.8 3.5 747 687 A 5 LEU HD1% A 35 MET HA 1.0 1.8 6.5 748 688 A 35 MET HA A 35 MET HB3 1.0 1.8 3.5 749 689 A 35 MET HB3 A 35 MET HG3 1.0 1.8 5.0 750 690 A 35 MET HG2 A 35 MET HB3 1.0 1.8 3.5 751 691 A 35 MET HA A 35 MET HB2 1.0 1.8 3.5 752 692 A 35 MET HB2 A 35 MET HG3 1.0 1.8 5.0 753 693 A 35 MET HB2 A 35 MET HG2 1.0 1.8 3.5 754 694 A 1 LEU HD2% A 35 MET HG3 1.0 1.8 6.5 755 695 A 35 MET HA A 35 MET HG3 1.0 1.8 5.0 756 696 A 36 PRO HD3 A 35 MET HG3 1.0 1.8 5.0 757 697 A 36 PRO HD2 A 35 MET HG3 1.0 1.8 5.0 758 698 A 5 LEU HD1% A 35 MET HG3 1.0 1.8 5.5 759 699 A 1 LEU HD2% A 35 MET HG2 1.0 1.8 6.5 760 700 A 35 MET HA A 35 MET HG2 1.0 1.8 5.0 761 701 A 35 MET HG2 A 36 PRO HD3 1.0 1.8 5.0 762 702 A 35 MET HG2 A 36 PRO HD2 1.0 1.8 5.0 763 703 A 5 LEU HD1% A 35 MET HG2 1.0 1.8 5.5 764 704 A 23 TYR HE% A 35 MET H 1.0 1.8 5.5 765 705 A 34 GLU HA A 35 MET H 1.0 1.8 2.8 766 706 A 35 MET H A 34 GLU HG2 1.0 1.8 5.3 767 706 A 34 GLU HG3 A 35 MET H 1.0 1.8 5.3 768 707 A 35 MET HA A 35 MET H 1.0 1.8 3.5 769 708 A 35 MET HB2 A 35 MET H 1.0 1.8 2.8 770 709 A 35 MET HG2 A 35 MET H 1.0 1.8 3.5 771 710 A 32 LEU HD1% A 36 PRO HA 1.0 1.8 5.5 772 711 A 32 LEU HD1% A 36 PRO HB3 1.0 1.8 5.5 773 712 A 5 LEU HD2% A 36 PRO HB3 1.0 1.8 5.5 774 713 A 32 LEU HD1% A 36 PRO HB2 1.0 1.8 5.5 775 714 A 5 LEU HD2% A 36 PRO HB2 1.0 1.8 5.5 776 715 A 5 LEU HD1% A 36 PRO HD3 1.0 1.8 5.5 777 716 A 5 LEU HD1% A 36 PRO HD2 1.0 1.8 6.5 778 717 A 32 LEU HD1% A 36 PRO HG3 1.0 1.8 5.5 779 718 A 5 LEU HD2% A 36 PRO HG3 1.0 1.8 5.5 780 719 A 32 LEU HD1% A 36 PRO HG2 1.0 1.8 5.5 781 720 A 5 LEU HD2% A 36 PRO HG2 1.0 1.8 5.5 782 721 A 37 VAL HA A 37 VAL HB 1.0 1.8 3.5 783 722 A 5 LEU HD2% A 37 VAL HA 1.0 1.8 5.5 784 723 A 37 VAL HA A 37 VAL HG1% 1.0 1.8 4.0 785 724 A 37 VAL HA A 37 VAL HG2% 1.0 1.8 4.0 786 725 A 36 PRO HA A 37 VAL H 1.0 1.8 2.8 787 726 A 36 PRO HB3 A 37 VAL H 1.0 1.8 3.5 788 727 A 36 PRO HB2 A 37 VAL H 1.0 1.8 3.5 789 728 A 37 VAL HB A 37 VAL H 1.0 1.8 2.8 790 729 A 37 VAL HG2% A 37 VAL H 1.0 1.8 4.0 791 730 A 38 LEU HD1% A 38 LEU HA 1.0 1.8 5.5 792 731 A 38 LEU HD2% A 38 LEU HA 1.0 1.8 4.0 793 732 A 38 LEU HA A 38 LEU HG 1.0 1.8 3.5 794 733 A 5 LEU HD2% A 38 LEU HA 1.0 1.8 5.5 795 734 A 38 LEU HA A 38 LEU HB2 1.0 1.8 3.8 796 734 A 38 LEU HA A 38 LEU HB3 1.0 1.8 3.8 797 735 A 4 GLU HB3 A 38 LEU HB2 1.0 1.8 6.6 798 735 A 38 LEU HB3 A 4 GLU HB2 1.0 1.8 6.6 799 735 A 4 GLU HB3 A 38 LEU HB3 1.0 1.8 6.6 800 735 A 4 GLU HB2 A 38 LEU HB2 1.0 1.8 6.6 801 736 A 5 LEU HD2% A 38 LEU HB2 1.0 1.8 6.8 802 736 A 5 LEU HD2% A 38 LEU HB3 1.0 1.8 6.8 803 737 A 38 LEU HD1% A 5 LEU HD2% 1.0 1.8 6.0 804 738 A 5 LEU HD2% A 38 LEU HG 1.0 1.8 5.5 805 739 A 37 VAL HA A 38 LEU H 1.0 1.8 2.8 806 740 A 37 VAL HB A 38 LEU H 1.0 1.8 3.5 807 741 A 37 VAL H A 38 LEU H 1.0 1.8 5.0 808 742 A 38 LEU HA A 38 LEU H 1.0 1.8 3.5 809 743 A 38 LEU H A 38 LEU HB2 1.0 1.8 3.1 810 743 A 38 LEU HB3 A 38 LEU H 1.0 1.8 3.1 811 744 A 5 LEU HD2% A 38 LEU H 1.0 1.8 5.5 812 745 A 38 LEU HB3 A 39 GLY HA2 1.0 1.8 6.6 813 745 A 38 LEU HB2 A 39 GLY HA2 1.0 1.8 6.6 814 745 A 39 GLY HA3 A 38 LEU HB2 1.0 1.8 6.6 815 745 A 38 LEU HB3 A 39 GLY HA3 1.0 1.8 6.6 816 746 A 38 LEU HA A 39 GLY H 1.0 1.8 2.8 817 747 A 39 GLY H A 38 LEU HB2 1.0 1.8 3.8 818 747 A 38 LEU HB3 A 39 GLY H 1.0 1.8 3.8 819 748 A 38 LEU HD2% A 39 GLY H 1.0 1.8 5.5 820 749 A 39 GLY H A 39 GLY HA2 1.0 1.8 3.8 821 749 A 39 GLY HA3 A 39 GLY H 1.0 1.8 3.8 822 750 A 40 GLN HA A 40 GLN HB3 1.0 1.8 3.5 823 751 A 40 GLN HA A 40 GLN HB2 1.0 1.8 3.5 824 752 A 40 GLN HA A 40 GLN HG3 1.0 1.8 3.5 825 753 A 40 GLN HA A 40 GLN HG2 1.0 1.8 3.5 826 754 A 40 GLN H A 39 GLY HA2 1.0 1.8 3.8 827 754 A 39 GLY HA3 A 40 GLN H 1.0 1.8 3.8 828 755 A 39 GLY H A 40 GLN H 1.0 1.8 3.5 829 756 A 40 GLN HA A 40 GLN H 1.0 1.8 3.5 830 757 A 40 GLN HB3 A 40 GLN H 1.0 1.8 3.5 831 758 A 40 GLN HB2 A 40 GLN H 1.0 1.8 3.5 832 759 A 40 GLN HG3 A 40 GLN H 1.0 1.8 3.5 833 760 A 40 GLN HG2 A 40 GLN H 1.0 1.8 3.5 834 761 A 41 HIS HA A 41 HIS HB3 1.0 1.8 3.5 835 762 A 41 HIS HA A 41 HIS HB2 1.0 1.8 3.5 836 763 A 41 HIS HA A 41 HIS HD2 1.0 1.8 5.0 837 764 A 41 HIS HB3 A 41 HIS HD2 1.0 1.8 5.0 838 765 A 40 GLN HA A 41 HIS H 1.0 1.8 3.5 839 766 A 41 HIS HA A 41 HIS H 1.0 1.8 5.0 840 767 A 41 HIS HB2 A 41 HIS H 1.0 1.8 5.0 841 768 A 42 ASP HB3 A 42 ASP HA 1.0 1.8 3.5 842 769 A 42 ASP HA A 42 ASP HB2 1.0 1.8 3.5 843 770 A 41 HIS HA A 42 ASP H 1.0 1.8 3.5 844 771 A 41 HIS HB2 A 42 ASP H 1.0 1.8 5.0 845 772 A 42 ASP HA A 42 ASP H 1.0 1.8 3.5 846 773 A 42 ASP HB3 A 42 ASP H 1.0 1.8 3.5 847 774 A 42 ASP HB2 A 42 ASP H 1.0 1.8 3.5 848 775 A 43 VAL HA A 43 VAL HB 1.0 1.8 3.5 849 776 A 43 VAL HA A 43 VAL HG2% 1.0 1.8 4.0 850 777 A 43 VAL HA A 43 VAL HG1% 1.0 1.8 4.0 851 778 A 43 VAL HA A 43 VAL HG1% 1.0 1.8 5.5 852 779 A 42 ASP HA A 43 VAL H 1.0 1.8 2.8 853 780 A 42 ASP HB3 A 43 VAL H 1.0 1.8 3.5 854 781 A 42 ASP HB2 A 43 VAL H 1.0 1.8 3.5 855 782 A 43 VAL HA A 43 VAL H 1.0 1.8 3.5 856 783 A 43 VAL HB A 43 VAL H 1.0 1.8 3.5 857 784 A 43 VAL HG2% A 43 VAL H 1.0 1.8 4.0 858 785 A 44 ILE HA A 44 ILE HG13 1.0 1.8 5.0 859 786 A 44 ILE HA A 44 ILE HG12 1.0 1.8 5.0 860 787 A 44 ILE HA A 44 ILE HB 1.0 1.8 3.5 861 788 A 44 ILE HA A 44 ILE HG2% 1.0 1.8 5.5 862 789 A 43 VAL HA A 44 ILE H 1.0 1.8 2.8 863 790 A 43 VAL HB A 44 ILE H 1.0 1.8 5.0 864 791 A 43 VAL HG1% A 44 ILE H 1.0 1.8 5.5 865 792 A 44 ILE HB A 44 ILE H 1.0 1.8 3.5 866 793 A 44 ILE HG13 A 44 ILE H 1.0 1.8 3.5 867 794 A 44 ILE HG12 A 44 ILE H 1.0 1.8 3.5 868 795 A 45 SER HA A 45 SER HB2 1.0 1.8 5.3 869 795 A 45 SER HA A 45 SER HB3 1.0 1.8 5.3 870 796 A 44 ILE HA A 45 SER H 1.0 1.8 2.8 871 797 A 44 ILE HB A 45 SER H 1.0 1.8 5.0 872 798 A 44 ILE HG2% A 45 SER H 1.0 1.8 5.5 873 799 A 45 SER HA A 45 SER H 1.0 1.8 3.5 874 800 A 45 SER H A 45 SER HB2 1.0 1.8 5.3 875 800 A 45 SER HB3 A 45 SER H 1.0 1.8 5.3 876 801 A 46 ASP HA A 47 PRO HD3 1.0 1.8 3.5 877 802 A 46 ASP HA A 47 PRO HD2 1.0 1.8 3.5 878 803 A 46 ASP HA A 46 ASP HB3 1.0 1.8 3.5 879 804 A 46 ASP HA A 46 ASP HB2 1.0 1.8 3.5 880 805 A 45 SER HA A 46 ASP H 1.0 1.8 3.5 881 806 A 46 ASP H A 45 SER HB2 1.0 1.8 5.3 882 806 A 45 SER HB3 A 46 ASP H 1.0 1.8 5.3 883 807 A 46 ASP HA A 46 ASP H 1.0 1.8 3.5 884 808 A 46 ASP HB3 A 46 ASP H 1.0 1.8 5.0 885 809 A 46 ASP HB2 A 46 ASP H 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 PRO C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -50.0 -22.0 PHI 2 2 A 3 GLU C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -58.0 -37.0 PHI 3 3 A 4 GLU C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -120.0 -73.0 PHI 4 4 A 5 LEU C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -73.0 -50.0 PHI 5 5 A 6 VAL C A 7 HIS N A 7 HIS CA A 7 HIS C 1.0 -65.0 -44.0 PHI 6 6 A 7 HIS C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -98.0 -65.0 PHI 7 7 A 9 GLY C A 10 TRP N A 10 TRP CA A 10 TRP C 1.0 -91.0 -62.0 PHI 8 8 A 10 TRP C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -163.0 -120.0 PHI 9 9 A 11 GLU C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -120.0 -73.0 PHI 10 10 A 12 LYS C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -153.0 -120.0 PHI 11 11 A 13 CYS C A 14 TRP N A 14 TRP CA A 14 TRP C 1.0 -120.0 -76.0 PHI 12 12 A 14 TRP C A 15 SER N A 15 SER CA A 15 SER C 1.0 -120.0 -74.0 PHI 13 13 A 15 SER C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -78.0 -53.0 PHI 14 14 A 16 ARG C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -78.0 -53.0 PHI 15 15 A 17 ARG C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -120.0 -81.0 PHI 16 16 A 18 GLU C A 19 ASN N A 19 ASN CA A 19 ASN C 1.0 28.0 60.0 PHI 17 17 A 19 ASN C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -179.0 -152.0 PHI 18 18 A 21 PRO C A 22 TYR N A 22 TYR CA A 22 TYR C 1.0 -179.0 -152.0 PHI 19 19 A 22 TYR C A 23 TYR N A 23 TYR CA A 23 TYR C 1.0 -157.0 -83.0 PHI 20 20 A 23 TYR C A 24 PHE N A 24 PHE CA A 24 PHE C 1.0 -151.0 -120.0 PHI 21 21 A 24 PHE C A 25 ASN N A 25 ASN CA A 25 ASN C 1.0 -120.0 -78.0 PHI 22 22 A 25 ASN C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -72.0 -49.0 PHI 23 23 A 26 ARG C A 27 PHE N A 27 PHE CA A 27 PHE C 1.0 -120.0 -75.0 PHI 24 24 A 27 PHE C A 28 THR N A 28 THR CA A 28 THR C 1.0 -120.0 -78.0 PHI 25 25 A 28 THR C A 29 ASN N A 29 ASN CA A 29 ASN C 1.0 27.0 60.0 PHI 26 26 A 29 ASN C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -93.0 -63.0 PHI 27 27 A 30 GLN C A 31 SER N A 31 SER CA A 31 SER C 1.0 -157.0 -120.0 PHI 28 28 A 31 SER C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -120.0 -78.0 PHI 29 29 A 32 LEU C A 33 TRP N A 33 TRP CA A 33 TRP C 1.0 -172.0 -139.0 PHI 30 30 A 33 TRP C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -166.0 -120.0 PHI 31 31 A 34 GLU C A 35 MET N A 35 MET CA A 35 MET C 1.0 -52.0 -30.0 PHI 32 32 A 36 PRO C A 37 VAL N A 37 VAL CA A 37 VAL C 1.0 -162.0 -120.0 PHI 33 33 A 37 VAL C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -175.0 -145.0 PHI stop_ save_