data_nef_c15695_2k28 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 1 GLY start . false 2 A 2 SER middle . . 3 A 3 GLU middle . . 4 A 4 HIS middle . . 5 A 5 VAL middle . . 6 A 6 PHE middle . . 7 A 7 ALA middle . . 8 A 8 VAL middle . . 9 A 9 GLU middle . . 10 A 10 SER middle . . 11 A 11 ILE middle . . 12 A 12 GLU middle . . 13 A 13 LYS middle . . 14 A 14 LYS middle . . 15 A 15 ARG middle . . 16 A 16 ILE middle . . 17 A 17 ARG middle . . 18 A 18 LYS middle . . 19 A 19 GLY middle . false 20 A 20 ARG middle . . 21 A 21 VAL middle . . 22 A 22 GLU middle . . 23 A 23 TYR middle . . 24 A 24 LEU middle . . 25 A 25 VAL middle . . 26 A 26 LYS middle . . 27 A 27 TRP middle . . 28 A 28 ARG middle . . 29 A 29 GLY middle . false 30 A 30 TRP middle . . 31 A 31 SER middle . . 32 A 32 PRO middle . false 33 A 33 LYS middle . . 34 A 34 TYR middle . . 35 A 35 ASN middle . . 36 A 36 THR middle . . 37 A 37 TRP middle . . 38 A 38 GLU middle . . 39 A 39 PRO middle . false 40 A 40 GLU middle . . 41 A 41 GLU middle . . 42 A 42 ASN middle . . 43 A 43 ILE middle . . 44 A 44 LEU middle . . 45 A 45 ASP middle . . 46 A 46 PRO middle . false 47 A 47 ARG middle . . 48 A 48 LEU middle . . 49 A 49 LEU middle . . 50 A 50 ILE middle . . 51 A 51 ALA middle . . 52 A 52 PHE middle . . 53 A 53 GLN middle . . 54 A 54 ASN middle . . 55 A 55 ARG middle . . 56 A 56 GLU middle . . 57 A 57 ARG middle . . 58 A 58 GLN middle . . 59 A 59 GLU middle . . 60 A 60 GLN end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY HAx H 1 3.79 0.0300 A 1 GLY HAy H 1 3.79 0.0300 A 1 GLY CA C 13 43.82 0.4000 A 2 SER HA H 1 4.40 0.0300 A 2 SER HBx H 1 3.78 0.0300 A 2 SER HBy H 1 3.78 0.0300 A 2 SER CA C 13 58.46 0.4000 A 2 SER CB C 13 63.69 0.4000 A 3 GLU HA H 1 4.26 0.0300 A 3 GLU HBy H 1 2.06 0.0300 A 3 GLU HBx H 1 1.89 0.0300 A 3 GLU C C 13 175.59 0.4000 A 3 GLU CA C 13 56.60 0.4000 A 3 GLU CB C 13 30.32 0.4000 A 4 HIS H H 1 7.90 0.0300 A 4 HIS HA H 1 4.11 0.0300 A 4 HIS HBy H 1 2.27 0.0300 A 4 HIS HBx H 1 2.08 0.0300 A 4 HIS HD2 H 1 6.73 0.0300 A 4 HIS HE1 H 1 7.66 0.0300 A 4 HIS CA C 13 57.38 0.4000 A 4 HIS CB C 13 34.28 0.4000 A 4 HIS CD2 C 13 119.63 0.4000 A 4 HIS CE1 C 13 138.35 0.4000 A 4 HIS N N 15 126.03 0.4000 A 5 VAL HA H 1 3.95 0.0300 A 5 VAL HB H 1 1.84 0.0300 A 5 VAL HGx% H 1 0.70 0.0300 A 5 VAL HGy% H 1 0.73 0.0300 A 5 VAL C C 13 175.58 0.4000 A 5 VAL CA C 13 62.19 0.4000 A 5 VAL CB C 13 32.87 0.4000 A 5 VAL CG1 C 13 20.99 0.4000 A 5 VAL CG2 C 13 20.40 0.4000 A 6 PHE H H 1 8.35 0.0300 A 6 PHE HA H 1 4.65 0.0300 A 6 PHE HBy H 1 2.70 0.0300 A 6 PHE HBx H 1 2.53 0.0300 A 6 PHE HD1 H 1 6.71 0.0300 A 6 PHE HD2 H 1 6.71 0.0300 A 6 PHE HE1 H 1 6.60 0.0300 A 6 PHE HE2 H 1 6.60 0.0300 A 6 PHE C C 13 174.67 0.4000 A 6 PHE CA C 13 57.52 0.4000 A 6 PHE CB C 13 39.39 0.4000 A 6 PHE CD1 C 13 130.94 0.4000 A 6 PHE CE1 C 13 129.22 0.4000 A 6 PHE N N 15 124.94 0.4000 A 7 ALA H H 1 9.02 0.0300 A 7 ALA HA H 1 4.84 0.0300 A 7 ALA HB% H 1 1.46 0.0300 A 7 ALA CA C 13 51.45 0.4000 A 7 ALA CB C 13 21.07 0.4000 A 7 ALA N N 15 126.35 0.4000 A 8 VAL H H 1 8.58 0.0300 A 8 VAL HA H 1 3.35 0.0300 A 8 VAL HB H 1 1.83 0.0300 A 8 VAL HGx% H 1 0.50 0.0300 A 8 VAL HGy% H 1 0.47 0.0300 A 8 VAL C C 13 175.33 0.4000 A 8 VAL CA C 13 64.22 0.4000 A 8 VAL CB C 13 32.17 0.4000 A 8 VAL CG1 C 13 22.56 0.4000 A 8 VAL CG2 C 13 22.42 0.4000 A 8 VAL N N 15 123.99 0.4000 A 9 GLU H H 1 9.48 0.0300 A 9 GLU HA H 1 4.27 0.0300 A 9 GLU HBx H 1 1.72 0.0300 A 9 GLU HBy H 1 1.72 0.0300 A 9 GLU HGx H 1 1.99 0.0300 A 9 GLU HGy H 1 1.99 0.0300 A 9 GLU C C 13 175.66 0.4000 A 9 GLU CA C 13 57.28 0.4000 A 9 GLU CB C 13 32.23 0.4000 A 9 GLU CG C 13 36.21 0.4000 A 9 GLU N N 15 128.36 0.4000 A 10 SER H H 1 7.61 0.0300 A 10 SER HA H 1 4.31 0.0300 A 10 SER HBx H 1 3.64 0.0300 A 10 SER HBy H 1 3.64 0.0300 A 10 SER CA C 13 57.24 0.4000 A 10 SER CB C 13 64.38 0.4000 A 10 SER N N 15 109.57 0.4000 A 11 ILE HA H 1 4.07 0.0300 A 11 ILE HB H 1 1.28 0.0300 A 11 ILE HD1% H 1 0.09 0.0300 A 11 ILE HG1y H 1 1.06 0.0300 A 11 ILE HG1x H 1 0.52 0.0300 A 11 ILE HG2% H 1 0.01 0.0300 A 11 ILE C C 13 175.15 0.4000 A 11 ILE CA C 13 60.26 0.4000 A 11 ILE CB C 13 38.81 0.4000 A 11 ILE CD1 C 13 12.98 0.4000 A 11 ILE CG1 C 13 27.31 0.4000 A 11 ILE CG2 C 13 17.84 0.4000 A 12 GLU H H 1 9.13 0.0300 A 12 GLU HA H 1 4.36 0.0300 A 12 GLU HBy H 1 1.95 0.0300 A 12 GLU HBx H 1 1.40 0.0300 A 12 GLU HGy H 1 1.95 0.0300 A 12 GLU HGx H 1 1.89 0.0300 A 12 GLU C C 13 176.91 0.4000 A 12 GLU CA C 13 56.99 0.4000 A 12 GLU CB C 13 32.12 0.4000 A 12 GLU CG C 13 35.87 0.4000 A 12 GLU N N 15 123.73 0.4000 A 13 LYS H H 1 7.15 0.0300 A 13 LYS HA H 1 4.74 0.0300 A 13 LYS HBy H 1 1.96 0.0300 A 13 LYS HBx H 1 1.66 0.0300 A 13 LYS HDx H 1 1.86 0.0300 A 13 LYS HDy H 1 1.86 0.0300 A 13 LYS HEx H 1 3.05 0.0300 A 13 LYS HEy H 1 3.05 0.0300 A 13 LYS HGx H 1 1.47 0.0300 A 13 LYS HGy H 1 1.62 0.0300 A 13 LYS C C 13 172.91 0.4000 A 13 LYS CA C 13 55.50 0.4000 A 13 LYS CB C 13 38.30 0.4000 A 13 LYS CD C 13 29.54 0.4000 A 13 LYS CE C 13 42.22 0.4000 A 13 LYS CG C 13 25.88 0.4000 A 13 LYS N N 15 115.41 0.4000 A 14 LYS H H 1 8.87 0.0300 A 14 LYS HA H 1 5.43 0.0300 A 14 LYS HBy H 1 1.82 0.0300 A 14 LYS HBx H 1 1.69 0.0300 A 14 LYS HDx H 1 1.71 0.0300 A 14 LYS HDy H 1 1.71 0.0300 A 14 LYS HEx H 1 2.86 0.0300 A 14 LYS HEy H 1 2.86 0.0300 A 14 LYS HGy H 1 1.15 0.0300 A 14 LYS HGx H 1 1.03 0.0300 A 14 LYS C C 13 174.70 0.4000 A 14 LYS CA C 13 54.95 0.4000 A 14 LYS CB C 13 37.61 0.4000 A 14 LYS CD C 13 30.20 0.4000 A 14 LYS CE C 13 42.25 0.4000 A 14 LYS CG C 13 24.61 0.4000 A 14 LYS N N 15 122.56 0.4000 A 15 ARG H H 1 9.34 0.0300 A 15 ARG HA H 1 4.74 0.0300 A 15 ARG HBy H 1 1.58 0.0300 A 15 ARG HBx H 1 1.31 0.0300 A 15 ARG HDy H 1 2.05 0.0300 A 15 ARG HDx H 1 0.68 0.0300 A 15 ARG HGy H 1 1.12 0.0300 A 15 ARG HGx H 1 0.66 0.0300 A 15 ARG C C 13 171.91 0.4000 A 15 ARG CA C 13 54.22 0.4000 A 15 ARG CB C 13 32.99 0.4000 A 15 ARG CD C 13 42.40 0.4000 A 15 ARG CG C 13 25.21 0.4000 A 15 ARG N N 15 123.15 0.4000 A 16 ILE H H 1 8.18 0.0300 A 16 ILE HA H 1 4.69 0.0300 A 16 ILE HB H 1 1.57 0.0300 A 16 ILE HD1% H 1 0.69 0.0300 A 16 ILE HG1y H 1 1.33 0.0300 A 16 ILE HG1x H 1 0.94 0.0300 A 16 ILE HG2% H 1 0.55 0.0300 A 16 ILE C C 13 176.13 0.4000 A 16 ILE CA C 13 59.64 0.4000 A 16 ILE CB C 13 38.35 0.4000 A 16 ILE CD1 C 13 12.76 0.4000 A 16 ILE CG1 C 13 27.72 0.4000 A 16 ILE CG2 C 13 17.20 0.4000 A 16 ILE N N 15 119.43 0.4000 A 17 ARG H H 1 8.93 0.0300 A 17 ARG HA H 1 4.44 0.0300 A 17 ARG HBy H 1 1.47 0.0300 A 17 ARG HBx H 1 1.13 0.0300 A 17 ARG HDy H 1 3.04 0.0300 A 17 ARG HDx H 1 2.73 0.0300 A 17 ARG HGy H 1 1.33 0.0300 A 17 ARG HGx H 1 1.11 0.0300 A 17 ARG CA C 13 54.84 0.4000 A 17 ARG CB C 13 33.22 0.4000 A 17 ARG CD C 13 42.92 0.4000 A 17 ARG CG C 13 27.36 0.4000 A 17 ARG N N 15 128.76 0.4000 A 18 LYS HA H 1 3.78 0.0300 A 18 LYS HBy H 1 1.89 0.0300 A 18 LYS HBx H 1 1.69 0.0300 A 18 LYS HDx H 1 1.59 0.0300 A 18 LYS HDy H 1 1.59 0.0300 A 18 LYS HEx H 1 2.90 0.0300 A 18 LYS HEy H 1 2.90 0.0300 A 18 LYS HGx H 1 1.29 0.0300 A 18 LYS HGy H 1 1.29 0.0300 A 18 LYS C C 13 176.53 0.4000 A 18 LYS CA C 13 56.97 0.4000 A 18 LYS CB C 13 29.99 0.4000 A 18 LYS CD C 13 29.17 0.4000 A 18 LYS CE C 13 42.13 0.4000 A 18 LYS CG C 13 25.28 0.4000 A 19 GLY H H 1 8.21 0.0300 A 19 GLY HAy H 1 4.02 0.0300 A 19 GLY HAx H 1 3.41 0.0300 A 19 GLY C C 13 173.38 0.4000 A 19 GLY CA C 13 45.41 0.4000 A 19 GLY N N 15 102.98 0.4000 A 20 ARG H H 1 7.76 0.0300 A 20 ARG HA H 1 4.61 0.0300 A 20 ARG HBy H 1 1.94 0.0300 A 20 ARG HBx H 1 1.76 0.0300 A 20 ARG HDx H 1 3.19 0.0300 A 20 ARG HDy H 1 3.19 0.0300 A 20 ARG HGx H 1 1.60 0.0300 A 20 ARG HGy H 1 1.60 0.0300 A 20 ARG C C 13 176.73 0.4000 A 20 ARG CA C 13 54.26 0.4000 A 20 ARG CB C 13 32.32 0.4000 A 20 ARG CD C 13 43.59 0.4000 A 20 ARG CG C 13 26.63 0.4000 A 20 ARG N N 15 121.17 0.4000 A 21 VAL H H 1 8.55 0.0300 A 21 VAL HA H 1 4.20 0.0300 A 21 VAL HB H 1 1.76 0.0300 A 21 VAL HGx% H 1 0.86 0.0300 A 21 VAL HGy% H 1 0.48 0.0300 A 21 VAL C C 13 175.77 0.4000 A 21 VAL CA C 13 62.74 0.4000 A 21 VAL CB C 13 31.81 0.4000 A 21 VAL CG1 C 13 21.85 0.4000 A 21 VAL CG2 C 13 21.85 0.4000 A 21 VAL N N 15 123.81 0.4000 A 22 GLU H H 1 8.86 0.0300 A 22 GLU HA H 1 4.91 0.0300 A 22 GLU HBy H 1 1.81 0.0300 A 22 GLU HBx H 1 1.64 0.0300 A 22 GLU HGy H 1 2.07 0.0300 A 22 GLU HGx H 1 1.86 0.0300 A 22 GLU C C 13 173.96 0.4000 A 22 GLU CA C 13 53.74 0.4000 A 22 GLU CB C 13 35.35 0.4000 A 22 GLU CG C 13 36.26 0.4000 A 22 GLU N N 15 126.09 0.4000 A 23 TYR H H 1 9.39 0.0300 A 23 TYR HA H 1 5.31 0.0300 A 23 TYR HBy H 1 2.61 0.0300 A 23 TYR HBx H 1 2.27 0.0300 A 23 TYR HD1 H 1 6.62 0.0300 A 23 TYR HD2 H 1 6.62 0.0300 A 23 TYR HE1 H 1 6.47 0.0300 A 23 TYR HE2 H 1 6.47 0.0300 A 23 TYR C C 13 173.89 0.4000 A 23 TYR CA C 13 56.08 0.4000 A 23 TYR CB C 13 41.78 0.4000 A 23 TYR CD1 C 13 132.74 0.4000 A 23 TYR CE1 C 13 117.16 0.4000 A 23 TYR N N 15 118.08 0.4000 A 24 LEU H H 1 8.12 0.0300 A 24 LEU HA H 1 3.71 0.0300 A 24 LEU HBy H 1 0.83 0.0300 A 24 LEU HBx H 1 -1.49 0.0300 A 24 LEU HDx% H 1 0.41 0.0300 A 24 LEU HDy% H 1 -0.47 0.0300 A 24 LEU HG H 1 0.57 0.0300 A 24 LEU C C 13 174.54 0.4000 A 24 LEU CA C 13 53.37 0.4000 A 24 LEU CB C 13 40.48 0.4000 A 24 LEU CD1 C 13 25.71 0.4000 A 24 LEU CD2 C 13 20.36 0.4000 A 24 LEU CG C 13 26.31 0.4000 A 24 LEU N N 15 128.46 0.4000 A 25 VAL H H 1 8.78 0.0300 A 25 VAL HA H 1 4.26 0.0300 A 25 VAL HB H 1 1.41 0.0300 A 25 VAL HGx% H 1 0.07 0.0300 A 25 VAL HGy% H 1 -0.13 0.0300 A 25 VAL C C 13 172.75 0.4000 A 25 VAL CA C 13 60.07 0.4000 A 25 VAL CB C 13 33.39 0.4000 A 25 VAL CG1 C 13 19.56 0.4000 A 25 VAL CG2 C 13 21.17 0.4000 A 25 VAL N N 15 125.69 0.4000 A 26 LYS H H 1 7.74 0.0300 A 26 LYS HA H 1 4.57 0.0300 A 26 LYS HBy H 1 1.79 0.0300 A 26 LYS HBx H 1 1.42 0.0300 A 26 LYS HDy H 1 1.96 0.0300 A 26 LYS HDx H 1 1.63 0.0300 A 26 LYS HEx H 1 3.02 0.0300 A 26 LYS HEy H 1 3.06 0.0300 A 26 LYS HGx H 1 1.31 0.0300 A 26 LYS HGy H 1 1.31 0.0300 A 26 LYS C C 13 176.14 0.4000 A 26 LYS CA C 13 53.29 0.4000 A 26 LYS CB C 13 34.37 0.4000 A 26 LYS CD C 13 29.09 0.4000 A 26 LYS CE C 13 43.63 0.4000 A 26 LYS CG C 13 25.22 0.4000 A 26 LYS N N 15 122.22 0.4000 A 27 TRP H H 1 9.35 0.0300 A 27 TRP HA H 1 4.78 0.0300 A 27 TRP HBy H 1 3.26 0.0300 A 27 TRP HBx H 1 3.10 0.0300 A 27 TRP HD1 H 1 7.44 0.0300 A 27 TRP HE1 H 1 10.10 0.0300 A 27 TRP HH2 H 1 6.82 0.0300 A 27 TRP HZ2 H 1 7.23 0.0300 A 27 TRP HZ3 H 1 7.31 0.0300 A 27 TRP C C 13 177.29 0.4000 A 27 TRP CA C 13 56.02 0.4000 A 27 TRP CB C 13 30.68 0.4000 A 27 TRP CD1 C 13 129.01 0.4000 A 27 TRP CH2 C 13 122.42 0.4000 A 27 TRP CZ2 C 13 114.53 0.4000 A 27 TRP CZ3 C 13 119.75 0.4000 A 27 TRP N N 15 131.34 0.4000 A 27 TRP NE1 N 15 129.86 0.4000 A 28 ARG H H 1 9.34 0.0300 A 28 ARG HA H 1 4.25 0.0300 A 28 ARG HBy H 1 1.91 0.0300 A 28 ARG HBx H 1 1.68 0.0300 A 28 ARG HDx H 1 3.17 0.0300 A 28 ARG HDy H 1 3.17 0.0300 A 28 ARG HGx H 1 1.52 0.0300 A 28 ARG HGy H 1 1.52 0.0300 A 28 ARG C C 13 177.97 0.4000 A 28 ARG CA C 13 58.00 0.4000 A 28 ARG CB C 13 30.13 0.4000 A 28 ARG CD C 13 43.29 0.4000 A 28 ARG CG C 13 27.21 0.4000 A 28 ARG N N 15 124.98 0.4000 A 29 GLY H H 1 9.31 0.0300 A 29 GLY HAy H 1 3.92 0.0300 A 29 GLY HAx H 1 3.50 0.0300 A 29 GLY C C 13 173.17 0.4000 A 29 GLY CA C 13 45.27 0.4000 A 29 GLY N N 15 114.57 0.4000 A 30 TRP H H 1 7.70 0.0300 A 30 TRP HA H 1 4.69 0.0300 A 30 TRP HBy H 1 3.26 0.0300 A 30 TRP HBx H 1 2.97 0.0300 A 30 TRP HD1 H 1 6.95 0.0300 A 30 TRP HH2 H 1 6.79 0.0300 A 30 TRP HZ2 H 1 6.88 0.0300 A 30 TRP HZ3 H 1 6.51 0.0300 A 30 TRP C C 13 175.18 0.4000 A 30 TRP CA C 13 55.38 0.4000 A 30 TRP CB C 13 31.77 0.4000 A 30 TRP CD1 C 13 127.23 0.4000 A 30 TRP CH2 C 13 123.74 0.4000 A 30 TRP CZ2 C 13 114.20 0.4000 A 30 TRP CZ3 C 13 120.45 0.4000 A 30 TRP N N 15 120.21 0.4000 A 31 SER H H 1 8.68 0.0300 A 31 SER HA H 1 4.80 0.0300 A 31 SER HBx H 1 4.12 0.0300 A 31 SER HBy H 1 4.44 0.0300 A 31 SER CA C 13 57.51 0.4000 A 31 SER CB C 13 62.65 0.4000 A 31 SER N N 15 118.75 0.4000 A 32 PRO HA H 1 4.82 0.0300 A 32 PRO HBy H 1 2.37 0.0300 A 32 PRO HBx H 1 1.88 0.0300 A 32 PRO HDx H 1 3.88 0.0300 A 32 PRO HDy H 1 3.98 0.0300 A 32 PRO HGy H 1 2.12 0.0300 A 32 PRO HGx H 1 1.86 0.0300 A 32 PRO C C 13 178.12 0.4000 A 32 PRO CA C 13 63.72 0.4000 A 32 PRO CB C 13 31.94 0.4000 A 32 PRO CD C 13 51.24 0.4000 A 32 PRO CG C 13 28.26 0.4000 A 33 LYS H H 1 7.78 0.0300 A 33 LYS HA H 1 3.99 0.0300 A 33 LYS HBy H 1 1.59 0.0300 A 33 LYS HBx H 1 1.43 0.0300 A 33 LYS HDx H 1 1.45 0.0300 A 33 LYS HDy H 1 1.45 0.0300 A 33 LYS HEx H 1 2.79 0.0300 A 33 LYS HEy H 1 2.79 0.0300 A 33 LYS HGx H 1 0.98 0.0300 A 33 LYS HGy H 1 0.98 0.0300 A 33 LYS C C 13 177.36 0.4000 A 33 LYS CA C 13 58.27 0.4000 A 33 LYS CB C 13 31.82 0.4000 A 33 LYS CD C 13 29.07 0.4000 A 33 LYS CE C 13 42.07 0.4000 A 33 LYS CG C 13 24.34 0.4000 A 33 LYS N N 15 119.00 0.4000 A 34 TYR H H 1 8.35 0.0300 A 34 TYR HA H 1 4.31 0.0300 A 34 TYR HBx H 1 3.23 0.0300 A 34 TYR HBy H 1 3.23 0.0300 A 34 TYR HD1 H 1 7.34 0.0300 A 34 TYR HD2 H 1 7.34 0.0300 A 34 TYR HE1 H 1 6.90 0.0300 A 34 TYR HE2 H 1 6.90 0.0300 A 34 TYR C C 13 174.08 0.4000 A 34 TYR CA C 13 58.38 0.4000 A 34 TYR CB C 13 37.65 0.4000 A 34 TYR CD1 C 13 134.00 0.4000 A 34 TYR CE1 C 13 118.40 0.4000 A 34 TYR N N 15 117.69 0.4000 A 35 ASN H H 1 7.47 0.0300 A 35 ASN HA H 1 4.99 0.0300 A 35 ASN HBy H 1 2.55 0.0300 A 35 ASN HBx H 1 2.32 0.0300 A 35 ASN HD2x H 1 6.81 0.0300 A 35 ASN HD2y H 1 7.31 0.0300 A 35 ASN C C 13 176.93 0.4000 A 35 ASN CA C 13 54.63 0.4000 A 35 ASN CB C 13 37.55 0.4000 A 35 ASN N N 15 119.97 0.4000 A 35 ASN ND2 N 15 110.46 0.4000 A 36 THR H H 1 7.71 0.0300 A 36 THR HA H 1 4.69 0.0300 A 36 THR HB H 1 4.35 0.0300 A 36 THR HG2% H 1 1.31 0.0300 A 36 THR C C 13 173.18 0.4000 A 36 THR CA C 13 59.58 0.4000 A 36 THR CB C 13 72.08 0.4000 A 36 THR CG2 C 13 23.47 0.4000 A 36 THR N N 15 111.80 0.4000 A 37 TRP H H 1 8.50 0.0300 A 37 TRP HA H 1 4.94 0.0300 A 37 TRP HBy H 1 2.90 0.0300 A 37 TRP HBx H 1 2.69 0.0300 A 37 TRP HD1 H 1 7.14 0.0300 A 37 TRP HE1 H 1 9.99 0.0300 A 37 TRP HH2 H 1 6.70 0.0300 A 37 TRP HZ2 H 1 7.36 0.0300 A 37 TRP HZ3 H 1 6.88 0.0300 A 37 TRP C C 13 176.93 0.4000 A 37 TRP CA C 13 56.31 0.4000 A 37 TRP CB C 13 29.38 0.4000 A 37 TRP CD1 C 13 127.82 0.4000 A 37 TRP CH2 C 13 122.10 0.4000 A 37 TRP CZ2 C 13 114.74 0.4000 A 37 TRP CZ3 C 13 120.41 0.4000 A 37 TRP N N 15 121.90 0.4000 A 37 TRP NE1 N 15 129.76 0.4000 A 38 GLU H H 1 9.86 0.0300 A 38 GLU HA H 1 5.09 0.0300 A 38 GLU HBy H 1 2.17 0.0300 A 38 GLU HBx H 1 1.64 0.0300 A 38 GLU HGy H 1 2.33 0.0300 A 38 GLU HGx H 1 2.15 0.0300 A 38 GLU CA C 13 52.09 0.4000 A 38 GLU CB C 13 32.23 0.4000 A 38 GLU CG C 13 35.56 0.4000 A 38 GLU N N 15 125.24 0.4000 A 39 PRO HA H 1 4.84 0.0300 A 39 PRO HBy H 1 2.37 0.0300 A 39 PRO HBx H 1 2.27 0.0300 A 39 PRO HDx H 1 3.83 0.0300 A 39 PRO HDy H 1 3.98 0.0300 A 39 PRO HGy H 1 2.09 0.0300 A 39 PRO HGx H 1 1.88 0.0300 A 39 PRO C C 13 177.74 0.4000 A 39 PRO CA C 13 62.44 0.4000 A 39 PRO CB C 13 32.57 0.4000 A 39 PRO CD C 13 50.49 0.4000 A 39 PRO CG C 13 27.44 0.4000 A 40 GLU H H 1 8.39 0.0300 A 40 GLU HA H 1 3.94 0.0300 A 40 GLU HBy H 1 2.25 0.0300 A 40 GLU HBx H 1 2.00 0.0300 A 40 GLU HGx H 1 2.34 0.0300 A 40 GLU HGy H 1 2.34 0.0300 A 40 GLU C C 13 177.79 0.4000 A 40 GLU CA C 13 60.05 0.4000 A 40 GLU CB C 13 30.31 0.4000 A 40 GLU CG C 13 36.08 0.4000 A 40 GLU N N 15 120.33 0.4000 A 41 GLU H H 1 9.59 0.0300 A 41 GLU HA H 1 4.16 0.0300 A 41 GLU HBx H 1 2.05 0.0300 A 41 GLU HBy H 1 2.05 0.0300 A 41 GLU HGx H 1 2.30 0.0300 A 41 GLU HGy H 1 2.30 0.0300 A 41 GLU C C 13 176.52 0.4000 A 41 GLU CA C 13 58.60 0.4000 A 41 GLU CB C 13 28.41 0.4000 A 41 GLU CG C 13 35.97 0.4000 A 41 GLU N N 15 117.35 0.4000 A 42 ASN H H 1 8.01 0.0300 A 42 ASN HA H 1 4.81 0.0300 A 42 ASN HBy H 1 3.13 0.0300 A 42 ASN HBx H 1 2.90 0.0300 A 42 ASN HD2x H 1 6.90 0.0300 A 42 ASN HD2y H 1 8.03 0.0300 A 42 ASN C C 13 175.00 0.4000 A 42 ASN CA C 13 52.49 0.4000 A 42 ASN CB C 13 38.08 0.4000 A 42 ASN N N 15 117.71 0.4000 A 42 ASN ND2 N 15 109.79 0.4000 A 43 ILE H H 1 7.62 0.0300 A 43 ILE HA H 1 4.01 0.0300 A 43 ILE HB H 1 2.15 0.0300 A 43 ILE HD1% H 1 0.41 0.0300 A 43 ILE HG1y H 1 1.38 0.0300 A 43 ILE HG1x H 1 1.08 0.0300 A 43 ILE HG2% H 1 0.59 0.0300 A 43 ILE C C 13 175.17 0.4000 A 43 ILE CA C 13 59.49 0.4000 A 43 ILE CB C 13 34.91 0.4000 A 43 ILE CD1 C 13 10.66 0.4000 A 43 ILE CG1 C 13 26.67 0.4000 A 43 ILE CG2 C 13 17.99 0.4000 A 43 ILE N N 15 121.38 0.4000 A 44 LEU H H 1 8.21 0.0300 A 44 LEU HA H 1 4.21 0.0300 A 44 LEU HBy H 1 1.68 0.0300 A 44 LEU HBx H 1 1.59 0.0300 A 44 LEU HDx% H 1 0.92 0.0300 A 44 LEU HDy% H 1 0.80 0.0300 A 44 LEU HG H 1 1.60 0.0300 A 44 LEU C C 13 176.72 0.4000 A 44 LEU CA C 13 55.84 0.4000 A 44 LEU CB C 13 42.05 0.4000 A 44 LEU CD1 C 13 25.25 0.4000 A 44 LEU CD2 C 13 22.59 0.4000 A 44 LEU CG C 13 26.96 0.4000 A 44 LEU N N 15 125.29 0.4000 A 45 ASP H H 1 7.12 0.0300 A 45 ASP HA H 1 5.01 0.0300 A 45 ASP HBy H 1 2.80 0.0300 A 45 ASP HBx H 1 2.48 0.0300 A 45 ASP CA C 13 50.31 0.4000 A 45 ASP CB C 13 41.69 0.4000 A 45 ASP N N 15 117.98 0.4000 A 46 PRO HA H 1 4.15 0.0300 A 46 PRO HBy H 1 2.31 0.0300 A 46 PRO HBx H 1 1.91 0.0300 A 46 PRO HDx H 1 4.00 0.0300 A 46 PRO HDy H 1 4.00 0.0300 A 46 PRO HGx H 1 1.98 0.0300 A 46 PRO HGy H 1 1.98 0.0300 A 46 PRO C C 13 178.95 0.4000 A 46 PRO CA C 13 64.31 0.4000 A 46 PRO CB C 13 32.22 0.4000 A 46 PRO CD C 13 51.30 0.4000 A 46 PRO CG C 13 27.04 0.4000 A 47 ARG H H 1 8.14 0.0300 A 47 ARG HA H 1 3.88 0.0300 A 47 ARG HBx H 1 1.81 0.0300 A 47 ARG HBy H 1 1.81 0.0300 A 47 ARG HDx H 1 3.22 0.0300 A 47 ARG HDy H 1 3.22 0.0300 A 47 ARG HGx H 1 1.67 0.0300 A 47 ARG HGy H 1 1.67 0.0300 A 47 ARG C C 13 179.73 0.4000 A 47 ARG CA C 13 59.04 0.4000 A 47 ARG CB C 13 29.58 0.4000 A 47 ARG CD C 13 43.17 0.4000 A 47 ARG CG C 13 27.01 0.4000 A 47 ARG N N 15 117.17 0.4000 A 48 LEU H H 1 7.54 0.0300 A 48 LEU HA H 1 3.97 0.0300 A 48 LEU HBy H 1 1.66 0.0300 A 48 LEU HBx H 1 1.14 0.0300 A 48 LEU HDx% H 1 0.80 0.0300 A 48 LEU HDy% H 1 0.68 0.0300 A 48 LEU HG H 1 1.58 0.0300 A 48 LEU C C 13 179.78 0.4000 A 48 LEU CA C 13 57.09 0.4000 A 48 LEU CB C 13 42.31 0.4000 A 48 LEU CD1 C 13 26.42 0.4000 A 48 LEU CD2 C 13 23.18 0.4000 A 48 LEU CG C 13 27.10 0.4000 A 48 LEU N N 15 118.07 0.4000 A 49 LEU H H 1 7.02 0.0300 A 49 LEU HA H 1 3.92 0.0300 A 49 LEU HBy H 1 1.65 0.0300 A 49 LEU HBx H 1 1.54 0.0300 A 49 LEU HDx% H 1 0.75 0.0300 A 49 LEU HDy% H 1 0.42 0.0300 A 49 LEU HG H 1 1.30 0.0300 A 49 LEU C C 13 178.66 0.4000 A 49 LEU CA C 13 57.20 0.4000 A 49 LEU CB C 13 41.48 0.4000 A 49 LEU CD1 C 13 24.69 0.4000 A 49 LEU CD2 C 13 23.17 0.4000 A 49 LEU CG C 13 27.09 0.4000 A 49 LEU N N 15 119.33 0.4000 A 50 ILE H H 1 7.62 0.0300 A 50 ILE HA H 1 3.68 0.0300 A 50 ILE HB H 1 1.73 0.0300 A 50 ILE HD1% H 1 0.75 0.0300 A 50 ILE HG1y H 1 1.53 0.0300 A 50 ILE HG1x H 1 1.14 0.0300 A 50 ILE HG2% H 1 0.85 0.0300 A 50 ILE C C 13 178.11 0.4000 A 50 ILE CA C 13 64.24 0.4000 A 50 ILE CB C 13 38.02 0.4000 A 50 ILE CD1 C 13 12.44 0.4000 A 50 ILE CG1 C 13 28.73 0.4000 A 50 ILE CG2 C 13 17.20 0.4000 A 50 ILE N N 15 120.78 0.4000 A 51 ALA H H 1 7.65 0.0300 A 51 ALA HA H 1 4.11 0.0300 A 51 ALA HB% H 1 1.42 0.0300 A 51 ALA C C 13 180.20 0.4000 A 51 ALA CA C 13 54.89 0.4000 A 51 ALA CB C 13 18.01 0.4000 A 51 ALA N N 15 120.70 0.4000 A 52 PHE H H 1 7.46 0.0300 A 52 PHE HA H 1 4.28 0.0300 A 52 PHE HBy H 1 3.16 0.0300 A 52 PHE HBx H 1 3.02 0.0300 A 52 PHE HD1 H 1 7.13 0.0300 A 52 PHE HD2 H 1 7.13 0.0300 A 52 PHE HE1 H 1 7.21 0.0300 A 52 PHE HE2 H 1 7.21 0.0300 A 52 PHE C C 13 177.10 0.4000 A 52 PHE CA C 13 60.85 0.4000 A 52 PHE CB C 13 39.57 0.4000 A 52 PHE CD1 C 13 131.65 0.4000 A 52 PHE CE1 C 13 129.58 0.4000 A 52 PHE N N 15 118.30 0.4000 A 53 GLN H H 1 8.28 0.0300 A 53 GLN HA H 1 3.81 0.0300 A 53 GLN HBy H 1 2.16 0.0300 A 53 GLN HBx H 1 2.03 0.0300 A 53 GLN HE2x H 1 6.76 0.0300 A 53 GLN HE2y H 1 7.46 0.0300 A 53 GLN HGy H 1 2.56 0.0300 A 53 GLN HGx H 1 2.46 0.0300 A 53 GLN C C 13 178.05 0.4000 A 53 GLN CA C 13 58.18 0.4000 A 53 GLN CB C 13 28.25 0.4000 A 53 GLN CG C 13 34.22 0.4000 A 53 GLN N N 15 118.97 0.4000 A 53 GLN NE2 N 15 112.41 0.4000 A 54 ASN H H 1 7.97 0.0300 A 54 ASN HA H 1 4.52 0.0300 A 54 ASN HBy H 1 2.81 0.0300 A 54 ASN HBx H 1 2.75 0.0300 A 54 ASN HD2x H 1 6.87 0.0300 A 54 ASN HD2y H 1 7.50 0.0300 A 54 ASN C C 13 176.37 0.4000 A 54 ASN CA C 13 54.41 0.4000 A 54 ASN CB C 13 38.42 0.4000 A 54 ASN N N 15 116.61 0.4000 A 54 ASN ND2 N 15 112.56 0.4000 A 55 ARG H H 1 7.54 0.0300 A 55 ARG HA H 1 4.08 0.0300 A 55 ARG HBx H 1 1.82 0.0300 A 55 ARG HBy H 1 1.82 0.0300 A 55 ARG HDx H 1 3.15 0.0300 A 55 ARG HDy H 1 3.15 0.0300 A 55 ARG HGy H 1 1.65 0.0300 A 55 ARG HGx H 1 1.58 0.0300 A 55 ARG C C 13 177.44 0.4000 A 55 ARG CA C 13 58.05 0.4000 A 55 ARG CB C 13 30.28 0.4000 A 55 ARG CD C 13 43.71 0.4000 A 55 ARG CG C 13 27.21 0.4000 A 55 ARG N N 15 120.95 0.4000 A 56 GLU H H 1 8.03 0.0300 A 56 GLU HA H 1 4.03 0.0300 A 56 GLU HBx H 1 1.82 0.0300 A 56 GLU HBy H 1 1.82 0.0300 A 56 GLU HGy H 1 1.99 0.0300 A 56 GLU HGx H 1 1.94 0.0300 A 56 GLU C C 13 177.16 0.4000 A 56 GLU CA C 13 57.52 0.4000 A 56 GLU CB C 13 29.98 0.4000 A 56 GLU CG C 13 36.58 0.4000 A 56 GLU N N 15 119.98 0.4000 A 57 ARG H H 1 7.84 0.0300 A 57 ARG HA H 1 4.26 0.0300 A 57 ARG HBy H 1 1.83 0.0300 A 57 ARG HBx H 1 1.77 0.0300 A 57 ARG HDx H 1 3.15 0.0300 A 57 ARG HDy H 1 3.15 0.0300 A 57 ARG HGy H 1 1.62 0.0300 A 57 ARG HGx H 1 1.58 0.0300 A 57 ARG C C 13 176.46 0.4000 A 57 ARG CA C 13 56.89 0.4000 A 57 ARG CB C 13 30.64 0.4000 A 57 ARG CD C 13 43.42 0.4000 A 57 ARG CG C 13 27.31 0.4000 A 57 ARG N N 15 119.80 0.4000 A 58 GLN H H 1 8.10 0.0300 A 58 GLN HA H 1 4.27 0.0300 A 58 GLN HBy H 1 2.10 0.0300 A 58 GLN HBx H 1 1.99 0.0300 A 58 GLN HGx H 1 2.35 0.0300 A 58 GLN HGy H 1 2.35 0.0300 A 58 GLN C C 13 175.97 0.4000 A 58 GLN CA C 13 56.00 0.4000 A 58 GLN CB C 13 29.38 0.4000 A 58 GLN CG C 13 33.85 0.4000 A 58 GLN N N 15 120.51 0.4000 A 59 GLU H H 1 8.23 0.0300 A 59 GLU C C 13 175.51 0.4000 A 59 GLU N N 15 121.81 0.4000 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 A 27 TRP HBy A 27 TRP HD1 1.0 1.8 5.0 2 2 A 27 TRP HD1 A 27 TRP HBx 1.0 1.8 5.0 3 3 A 27 TRP HD1 A 35 ASN HA 1.0 1.8 5.0 4 4 A 27 TRP HD1 A 36 THR HG2% 1.0 1.8 5.0 5 5 A 27 TRP HD1 A 27 TRP H 1.0 1.8 5.0 6 6 A 7 ALA HB% A 27 TRP HZ3 1.0 1.8 5.0 7 7 A 27 TRP HZ3 A 8 VAL HB 1.0 1.8 5.0 8 8 A 27 TRP HZ3 A 6 PHE HBx 1.0 1.8 5.0 9 9 A 27 TRP HZ3 A 8 VAL HA 1.0 1.8 5.0 10 10 A 27 TRP HZ3 A 7 ALA H 1.0 1.8 5.0 11 11 A 37 TRP HZ2 A 13 LYS HDx 1.0 1.8 5.0 12 11 A 13 LYS HDy A 37 TRP HZ2 1.0 1.8 5.0 13 12 A 37 TRP HZ2 A 24 LEU HDx% 1.0 1.8 5.0 14 13 A 25 VAL HGy% A 27 TRP HZ2 1.0 1.8 5.0 15 14 A 27 TRP HBy A 30 TRP HD1 1.0 1.8 5.0 16 15 A 27 TRP HBx A 30 TRP HD1 1.0 1.8 3.5 17 16 A 30 TRP HD1 A 30 TRP HBx 1.0 1.8 5.0 18 17 A 30 TRP HD1 A 27 TRP HA 1.0 1.8 5.0 19 18 A 37 TRP HBy A 37 TRP HD1 1.0 1.8 5.0 20 19 A 52 PHE HE% A 56 GLU HBx 1.0 1.8 6.0 21 19 A 52 PHE HE% A 56 GLU HBy 1.0 1.8 6.0 22 20 A 52 PHE HE% A 14 LYS HDx 1.0 1.8 5.0 23 20 A 52 PHE HE% A 14 LYS HDy 1.0 1.8 5.0 24 21 A 30 TRP HBx A 34 TYR HD% 1.0 1.8 5.0 25 22 A 34 TYR HD% A 34 TYR HA 1.0 1.8 5.0 26 23 A 34 TYR HD% A 31 SER HBx 1.0 1.8 5.0 27 24 A 34 TYR HD% A 30 TRP HZ3 1.0 1.8 5.0 28 25 A 34 TYR HD% A 31 SER H 1.0 1.8 5.0 29 26 A 21 VAL HGy% A 23 TYR HD% 1.0 1.8 5.0 30 27 A 23 TYR HD% A 43 ILE HG1x 1.0 1.8 5.0 31 28 A 23 TYR HD% A 14 LYS HDx 1.0 1.8 5.0 32 28 A 14 LYS HDy A 23 TYR HD% 1.0 1.8 5.0 33 29 A 23 TYR HD% A 40 GLU HA 1.0 1.8 3.5 34 30 A 23 TYR HD% A 23 TYR HA 1.0 1.8 3.5 35 31 A 23 TYR HD% A 52 PHE HD% 1.0 1.8 5.0 36 32 A 27 TRP HZ2 A 6 PHE HD% 1.0 1.8 5.0 37 33 A 27 TRP HZ3 A 6 PHE HD% 1.0 1.8 5.0 38 34 A 13 LYS HBy A 37 TRP HZ3 1.0 1.8 5.0 39 35 A 37 TRP HZ3 A 24 LEU HA 1.0 1.8 5.0 40 36 A 23 TYR HD% A 37 TRP HZ3 1.0 1.8 5.0 41 37 A 30 TRP HZ3 A 34 TYR HE% 1.0 1.8 5.0 42 38 A 34 TYR HE% A 33 LYS HDx 1.0 1.8 5.0 43 38 A 34 TYR HE% A 33 LYS HDy 1.0 1.8 5.0 44 39 A 23 TYR HE% A 40 GLU H 1.0 1.8 5.0 45 40 A 52 PHE HD% A 23 TYR HE% 1.0 1.8 5.0 46 41 A 40 GLU HA A 23 TYR HE% 1.0 1.8 3.5 47 42 A 23 TYR HE% A 14 LYS HDx 1.0 1.8 3.5 48 42 A 14 LYS HDy A 23 TYR HE% 1.0 1.8 3.5 49 43 A 21 VAL HGy% A 23 TYR HE% 1.0 1.8 3.5 50 44 A 43 ILE HG1x A 23 TYR HE% 1.0 1.8 5.0 51 45 A 7 ALA HA A 27 TRP HH2 1.0 1.8 5.0 52 46 A 52 PHE HD% A 11 ILE HG2% 1.0 1.8 5.0 53 47 A 6 PHE HD% A 6 PHE HA 1.0 1.8 5.0 54 48 A 37 TRP HD1 A 36 THR HA 1.0 1.8 5.0 55 49 A 37 TRP HZ2 A 24 LEU HBy 1.0 1.8 5.0 56 50 A 37 TRP HZ3 A 24 LEU HBy 1.0 1.8 5.0 57 51 A 34 TYR HD% A 33 LYS HGx 1.0 1.8 5.0 58 51 A 34 TYR HD% A 33 LYS HGy 1.0 1.8 5.0 59 52 A 34 TYR HE% A 33 LYS HGx 1.0 1.8 5.0 60 52 A 34 TYR HE% A 33 LYS HGy 1.0 1.8 5.0 61 53 A 41 GLU HA A 41 GLU HBx 1.0 1.8 3.5 62 53 A 41 GLU HA A 41 GLU HBy 1.0 1.8 3.5 63 54 A 51 ALA HA A 54 ASN HBy 1.0 1.8 5.0 64 55 A 33 LYS HA A 33 LYS HGx 1.0 1.8 5.0 65 55 A 33 LYS HGy A 33 LYS HA 1.0 1.8 5.0 66 56 A 33 LYS HEy A 33 LYS HGx 1.0 1.8 3.5 67 56 A 33 LYS HEx A 33 LYS HGx 1.0 1.8 3.5 68 56 A 33 LYS HGy A 33 LYS HEx 1.0 1.8 3.5 69 56 A 33 LYS HGy A 33 LYS HEy 1.0 1.8 3.5 70 57 A 34 TYR HE% A 33 LYS HEx 1.0 1.8 5.0 71 57 A 34 TYR HE% A 33 LYS HEy 1.0 1.8 5.0 72 58 A 41 GLU HA A 41 GLU HGx 1.0 1.8 3.5 73 58 A 41 GLU HA A 41 GLU HGy 1.0 1.8 3.5 74 59 A 41 GLU HBx A 41 GLU HGx 1.0 1.8 2.7 75 59 A 41 GLU HBy A 41 GLU HGx 1.0 1.8 2.7 76 59 A 41 GLU HGy A 41 GLU HBx 1.0 1.8 2.7 77 59 A 41 GLU HBy A 41 GLU HGy 1.0 1.8 2.7 78 60 A 41 GLU H A 41 GLU HGx 1.0 1.8 3.5 79 60 A 41 GLU HGy A 41 GLU H 1.0 1.8 3.5 80 61 A 47 ARG HDy A 47 ARG HGx 1.0 1.8 3.5 81 61 A 47 ARG HDx A 47 ARG HGx 1.0 1.8 3.5 82 61 A 47 ARG HGy A 47 ARG HDx 1.0 1.8 3.5 83 61 A 47 ARG HGy A 47 ARG HDy 1.0 1.8 3.5 84 62 A 47 ARG HBx A 47 ARG HDx 1.0 1.8 5.0 85 62 A 47 ARG HBy A 47 ARG HDx 1.0 1.8 5.0 86 62 A 47 ARG HDy A 47 ARG HBx 1.0 1.8 5.0 87 62 A 47 ARG HDy A 47 ARG HBy 1.0 1.8 5.0 88 63 A 28 ARG HA A 28 ARG HDx 1.0 1.8 5.0 89 63 A 28 ARG HA A 28 ARG HDy 1.0 1.8 5.0 90 64 A 40 GLU H A 22 GLU HA 1.0 1.8 5.0 91 65 A 47 ARG HA A 47 ARG HGx 1.0 1.8 3.5 92 65 A 47 ARG HGy A 47 ARG HA 1.0 1.8 3.5 93 66 A 51 ALA HA A 53 GLN H 1.0 1.8 6.0 94 67 A 34 TYR HD% A 30 TRP HBy 1.0 1.8 6.0 95 68 A 31 SER H A 30 TRP HBy 1.0 1.8 6.0 96 69 A 30 TRP HBx A 30 TRP HZ3 1.0 1.8 6.0 97 70 A 51 ALA HB% A 52 PHE HBx 1.0 1.8 5.0 98 71 A 52 PHE HBx A 11 ILE HB 1.0 1.8 5.0 99 72 A 52 PHE HBx A 11 ILE HD1% 1.0 1.8 5.0 100 73 A 52 PHE HBx A 49 LEU HBy 1.0 1.8 6.0 101 74 A 51 ALA HB% A 52 PHE HA 1.0 1.8 5.0 102 75 A 52 PHE HA A 55 ARG HBx 1.0 1.8 5.0 103 75 A 52 PHE HA A 55 ARG HBy 1.0 1.8 5.0 104 76 A 52 PHE HD% A 52 PHE HA 1.0 1.8 3.5 105 77 A 52 PHE HA A 51 ALA H 1.0 1.8 6.0 106 78 A 52 PHE HA A 54 ASN H 1.0 1.8 6.0 107 79 A 52 PHE HA A 56 GLU H 1.0 1.8 6.0 108 80 A 47 ARG H A 48 LEU HBy 1.0 1.8 6.0 109 81 A 48 LEU HBy A 50 ILE H 1.0 1.8 6.0 110 82 A 44 LEU HBy A 44 LEU HDy% 1.0 1.8 5.0 111 83 A 15 ARG HBx A 37 TRP HH2 1.0 1.8 6.0 112 84 A 34 TYR HA A 33 LYS HGx 1.0 1.8 5.0 113 84 A 34 TYR HA A 33 LYS HGy 1.0 1.8 5.0 114 85 A 16 ILE HG2% A 19 GLY HAy 1.0 1.8 5.0 115 86 A 25 VAL HGy% A 25 VAL HA 1.0 1.8 5.0 116 87 A 25 VAL HA A 12 GLU H 1.0 1.8 5.0 117 88 A 25 VAL HA A 9 GLU H 1.0 1.8 5.0 118 89 A 13 LYS HBx A 24 LEU HBx 1.0 1.8 6.0 119 90 A 13 LYS HBx A 13 LYS HEx 1.0 1.8 5.0 120 90 A 13 LYS HBx A 13 LYS HEy 1.0 1.8 5.0 121 91 A 37 TRP HH2 A 13 LYS HBx 1.0 1.8 5.0 122 92 A 18 LYS HA A 18 LYS HGx 1.0 1.8 3.5 123 92 A 18 LYS HA A 18 LYS HGy 1.0 1.8 3.5 124 93 A 13 LYS HBy A 24 LEU HDx% 1.0 1.8 6.0 125 94 A 24 LEU HA A 24 LEU HDx% 1.0 1.8 5.0 126 95 A 24 LEU HBx A 24 LEU HDx% 1.0 1.8 5.0 127 96 A 24 LEU HBy A 24 LEU HDx% 1.0 1.8 5.0 128 97 A 58 GLN HA A 58 GLN HGx 1.0 1.8 5.0 129 97 A 58 GLN HA A 58 GLN HGy 1.0 1.8 5.0 130 98 A 37 TRP HZ3 A 14 LYS HDx 1.0 1.8 6.0 131 98 A 14 LYS HDy A 37 TRP HZ3 1.0 1.8 6.0 132 99 A 18 LYS HA A 18 LYS HDx 1.0 1.8 5.0 133 99 A 18 LYS HA A 18 LYS HDy 1.0 1.8 5.0 134 100 A 18 LYS HEx A 18 LYS HGx 1.0 1.8 3.5 135 100 A 18 LYS HEy A 18 LYS HGx 1.0 1.8 3.5 136 100 A 18 LYS HGy A 18 LYS HEx 1.0 1.8 3.5 137 100 A 18 LYS HGy A 18 LYS HEy 1.0 1.8 3.5 138 101 A 34 TYR H A 33 LYS HBx 1.0 1.8 5.0 139 102 A 33 LYS HA A 33 LYS HDx 1.0 1.8 5.0 140 102 A 33 LYS HDy A 33 LYS HA 1.0 1.8 5.0 141 103 A 41 GLU HA A 44 LEU HDx% 1.0 1.8 6.0 142 104 A 41 GLU HA A 44 LEU HDy% 1.0 1.8 6.0 143 105 A 47 ARG HA A 50 ILE HG2% 1.0 1.8 5.0 144 106 A 47 ARG HA A 50 ILE HG1x 1.0 1.8 5.0 145 107 A 47 ARG HA A 47 ARG HDx 1.0 1.8 5.0 146 107 A 47 ARG HDy A 47 ARG HA 1.0 1.8 5.0 147 108 A 47 ARG HA A 50 ILE H 1.0 1.8 5.0 148 109 A 47 ARG HBy A 47 ARG HGx 1.0 1.8 3.5 149 109 A 47 ARG HBx A 47 ARG HGx 1.0 1.8 3.5 150 109 A 47 ARG HGy A 47 ARG HBx 1.0 1.8 3.5 151 109 A 47 ARG HGy A 47 ARG HBy 1.0 1.8 3.5 152 110 A 48 LEU H A 47 ARG HGx 1.0 1.8 5.0 153 110 A 47 ARG HGy A 48 LEU H 1.0 1.8 5.0 154 111 A 54 ASN HBy A 51 ALA HB% 1.0 1.8 5.0 155 112 A 51 ALA HB% A 48 LEU HA 1.0 1.8 5.0 156 113 A 53 GLN H A 51 ALA HB% 1.0 1.8 5.0 157 114 A 51 ALA HA A 50 ILE HG2% 1.0 1.8 5.0 158 115 A 49 LEU HA A 52 PHE HBy 1.0 1.8 5.0 159 116 A 26 LYS HEx A 32 PRO HDx 1.0 1.8 6.0 160 117 A 32 PRO HDx A 26 LYS HEy 1.0 1.8 6.0 161 118 A 46 PRO HDy A 47 ARG HGx 1.0 1.8 5.0 162 118 A 46 PRO HDx A 47 ARG HGx 1.0 1.8 5.0 163 118 A 47 ARG HGy A 46 PRO HDx 1.0 1.8 5.0 164 118 A 47 ARG HGy A 46 PRO HDy 1.0 1.8 5.0 165 119 A 49 LEU HG A 46 PRO HDx 1.0 1.8 6.0 166 119 A 46 PRO HDy A 49 LEU HG 1.0 1.8 6.0 167 120 A 45 ASP H A 46 PRO HDx 1.0 1.8 6.0 168 120 A 46 PRO HDy A 45 ASP H 1.0 1.8 6.0 169 121 A 48 LEU HA A 48 LEU HDx% 1.0 1.8 5.0 170 122 A 48 LEU HA A 48 LEU HG 1.0 1.8 5.0 171 123 A 50 ILE H A 48 LEU HA 1.0 1.8 5.0 172 124 A 51 ALA H A 48 LEU HA 1.0 1.8 5.0 173 125 A 48 LEU H A 48 LEU HBx 1.0 1.8 5.0 174 126 A 48 LEU HBx A 49 LEU H 1.0 1.8 5.0 175 127 A 48 LEU HBx A 45 ASP HBx 1.0 1.8 6.0 176 128 A 44 LEU HBx A 45 ASP HBy 1.0 1.8 5.0 177 129 A 44 LEU HBx A 44 LEU HDy% 1.0 1.8 5.0 178 130 A 44 LEU HBx A 44 LEU HDx% 1.0 1.8 5.0 179 131 A 11 ILE HD1% A 48 LEU HBy 1.0 1.8 5.0 180 132 A 47 ARG H A 48 LEU HDy% 1.0 1.8 6.0 181 133 A 48 LEU H A 48 LEU HDy% 1.0 1.8 5.0 182 134 A 48 LEU HA A 48 LEU HDy% 1.0 1.8 3.5 183 135 A 48 LEU HDy% A 10 SER HA 1.0 1.8 3.5 184 136 A 45 ASP HBx A 48 LEU HDy% 1.0 1.8 5.0 185 137 A 48 LEU HBy A 48 LEU HDy% 1.0 1.8 3.5 186 138 A 11 ILE HD1% A 48 LEU HDy% 1.0 1.8 6.0 187 139 A 48 LEU HBx A 48 LEU HDy% 1.0 1.8 3.5 188 140 A 48 LEU HDx% A 25 VAL HGx% 1.0 1.8 5.0 189 141 A 11 ILE HD1% A 48 LEU HDx% 1.0 1.8 5.0 190 142 A 48 LEU HDx% A 8 VAL HGy% 1.0 1.8 3.5 191 143 A 48 LEU HDx% A 43 ILE HD1% 1.0 1.8 5.0 192 144 A 48 LEU HBy A 48 LEU HDx% 1.0 1.8 3.5 193 145 A 48 LEU HDx% A 48 LEU HBx 1.0 1.8 3.5 194 146 A 48 LEU HDx% A 45 ASP HBy 1.0 1.8 5.0 195 147 A 48 LEU HDx% A 45 ASP HBx 1.0 1.8 5.0 196 148 A 48 LEU HDx% A 43 ILE HA 1.0 1.8 5.0 197 149 A 15 ARG HBx A 15 ARG HDy 1.0 1.8 5.0 198 150 A 15 ARG HBx A 15 ARG HDx 1.0 1.8 5.0 199 151 A 48 LEU HDx% A 10 SER HA 1.0 1.8 5.0 200 152 A 11 ILE HB A 10 SER HA 1.0 1.8 6.0 201 153 A 10 SER HA A 10 SER HBx 1.0 1.8 3.5 202 153 A 10 SER HA A 10 SER HBy 1.0 1.8 3.5 203 154 A 57 ARG HA A 58 GLN H 1.0 1.8 3.5 204 155 A 9 GLU HBy A 26 LYS HGx 1.0 1.8 5.0 205 155 A 9 GLU HBx A 26 LYS HGx 1.0 1.8 5.0 206 155 A 26 LYS HGy A 9 GLU HBx 1.0 1.8 5.0 207 155 A 9 GLU HBy A 26 LYS HGy 1.0 1.8 5.0 208 156 A 55 ARG HBy A 55 ARG HGy 1.0 1.8 3.5 209 156 A 55 ARG HGy A 55 ARG HBx 1.0 1.8 3.5 210 157 A 30 TRP HZ3 A 34 TYR HBx 1.0 1.8 6.0 211 157 A 30 TRP HZ3 A 34 TYR HBy 1.0 1.8 6.0 212 158 A 55 ARG HA A 55 ARG HBx 1.0 1.8 3.5 213 158 A 55 ARG HBy A 55 ARG HA 1.0 1.8 3.5 214 159 A 55 ARG HA A 55 ARG HGy 1.0 1.8 5.0 215 160 A 55 ARG HA A 55 ARG HGx 1.0 1.8 5.0 216 161 A 55 ARG HBy A 58 GLN HGx 1.0 1.8 5.0 217 161 A 58 GLN HGy A 55 ARG HBx 1.0 1.8 5.0 218 161 A 55 ARG HBy A 58 GLN HGy 1.0 1.8 5.0 219 161 A 55 ARG HBx A 58 GLN HGx 1.0 1.8 5.0 220 162 A 52 PHE HD% A 55 ARG HBx 1.0 1.8 5.0 221 162 A 52 PHE HD% A 55 ARG HBy 1.0 1.8 5.0 222 163 A 52 PHE HD% A 56 GLU HBx 1.0 1.8 6.0 223 163 A 56 GLU HBy A 52 PHE HD% 1.0 1.8 6.0 224 164 A 57 ARG H A 57 ARG HDx 1.0 1.8 5.0 225 164 A 57 ARG H A 57 ARG HDy 1.0 1.8 5.0 226 165 A 55 ARG HA A 55 ARG HDx 1.0 1.8 5.0 227 165 A 55 ARG HA A 55 ARG HDy 1.0 1.8 5.0 228 166 A 44 LEU H A 44 LEU HG 1.0 1.8 5.0 229 167 A 48 LEU H A 48 LEU HG 1.0 1.8 5.0 230 168 A 55 ARG HBy A 55 ARG HGx 1.0 1.8 3.5 231 168 A 55 ARG HBx A 55 ARG HGx 1.0 1.8 3.5 232 169 A 48 LEU HG A 45 ASP HBx 1.0 1.8 5.0 233 170 A 39 PRO HBy A 42 ASN H 1.0 1.8 5.0 234 171 A 42 ASN H A 39 PRO HBx 1.0 1.8 5.0 235 172 A 41 GLU H A 39 PRO HBx 1.0 1.8 5.0 236 173 A 38 GLU HA A 39 PRO HDy 1.0 1.8 3.5 237 174 A 39 PRO HDy A 38 GLU HBx 1.0 1.8 5.0 238 175 A 42 ASN H A 39 PRO HDy 1.0 1.8 6.0 239 176 A 39 PRO HDx A 42 ASN HD2y 1.0 1.8 5.0 240 177 A 39 PRO HDx A 42 ASN HD2x 1.0 1.8 5.0 241 178 A 38 GLU HBx A 39 PRO HDx 1.0 1.8 5.0 242 179 A 39 PRO HDx A 38 GLU HGy 1.0 1.8 5.0 243 180 A 39 PRO HDx A 41 GLU HGx 1.0 1.8 6.0 244 180 A 41 GLU HGy A 39 PRO HDx 1.0 1.8 6.0 245 181 A 39 PRO HGx A 41 GLU HGx 1.0 1.8 5.0 246 181 A 41 GLU HGy A 39 PRO HGx 1.0 1.8 5.0 247 182 A 38 GLU HA A 39 PRO HGx 1.0 1.8 5.0 248 183 A 42 ASN H A 39 PRO HGx 1.0 1.8 5.0 249 184 A 40 GLU H A 39 PRO HGx 1.0 1.8 6.0 250 185 A 39 PRO HGy A 41 GLU HGx 1.0 1.8 5.0 251 185 A 41 GLU HGy A 39 PRO HGy 1.0 1.8 5.0 252 186 A 57 ARG HDy A 57 ARG HBx 1.0 1.8 5.0 253 186 A 57 ARG HBx A 57 ARG HDx 1.0 1.8 5.0 254 187 A 9 GLU HA A 9 GLU HGx 1.0 1.8 5.0 255 187 A 9 GLU HA A 9 GLU HGy 1.0 1.8 5.0 256 188 A 56 GLU H A 55 ARG HBx 1.0 1.8 5.0 257 188 A 55 ARG HBy A 56 GLU H 1.0 1.8 5.0 258 189 A 57 ARG HA A 57 ARG HDx 1.0 1.8 5.0 259 189 A 57 ARG HA A 57 ARG HDy 1.0 1.8 5.0 260 190 A 55 ARG HBx A 55 ARG HDx 1.0 1.8 3.5 261 190 A 55 ARG HBy A 55 ARG HDx 1.0 1.8 3.5 262 190 A 55 ARG HDy A 55 ARG HBx 1.0 1.8 3.5 263 190 A 55 ARG HBy A 55 ARG HDy 1.0 1.8 3.5 264 191 A 57 ARG HDy A 57 ARG HBy 1.0 1.8 5.0 265 191 A 57 ARG HBy A 57 ARG HDx 1.0 1.8 5.0 266 192 A 50 ILE HA A 50 ILE HG1x 1.0 1.8 5.0 267 193 A 9 GLU HBy A 10 SER HBx 1.0 1.8 5.0 268 193 A 9 GLU HBx A 10 SER HBx 1.0 1.8 5.0 269 193 A 10 SER HBy A 9 GLU HBx 1.0 1.8 5.0 270 193 A 10 SER HBy A 9 GLU HBy 1.0 1.8 5.0 271 194 A 50 ILE HA A 50 ILE HG1y 1.0 1.8 5.0 272 195 A 10 SER H A 10 SER HBx 1.0 1.8 5.0 273 195 A 10 SER HBy A 10 SER H 1.0 1.8 5.0 274 196 A 9 GLU H A 10 SER HBx 1.0 1.8 5.0 275 196 A 9 GLU H A 10 SER HBy 1.0 1.8 5.0 276 197 A 47 ARG HA A 50 ILE HB 1.0 1.8 5.0 277 198 A 50 ILE HG2% A 50 ILE HD1% 1.0 1.8 3.5 278 199 A 50 ILE HB A 50 ILE HD1% 1.0 1.8 3.5 279 200 A 50 ILE HA A 50 ILE HD1% 1.0 1.8 5.0 280 201 A 47 ARG HA A 50 ILE HD1% 1.0 1.8 5.0 281 202 A 50 ILE H A 50 ILE HD1% 1.0 1.8 5.0 282 203 A 50 ILE HG2% A 54 ASN HD2x 1.0 1.8 5.0 283 204 A 50 ILE H A 50 ILE HG2% 1.0 1.8 5.0 284 205 A 51 ALA H A 50 ILE HG2% 1.0 1.8 5.0 285 206 A 50 ILE HG2% A 54 ASN HD2y 1.0 1.8 5.0 286 207 A 53 GLN H A 50 ILE HG2% 1.0 1.8 5.0 287 208 A 50 ILE HG2% A 50 ILE HA 1.0 1.8 3.5 288 209 A 50 ILE HG2% A 50 ILE HG1x 1.0 1.8 3.5 289 210 A 50 ILE HG2% A 50 ILE HG1y 1.0 1.8 3.5 290 211 A 47 ARG HA A 50 ILE HG1y 1.0 1.8 5.0 291 212 A 54 ASN H A 54 ASN HBx 1.0 1.8 5.0 292 213 A 54 ASN HBx A 55 ARG H 1.0 1.8 5.0 293 214 A 51 ALA HA A 54 ASN HBx 1.0 1.8 5.0 294 215 A 55 ARG HA A 54 ASN HBx 1.0 1.8 6.0 295 216 A 57 ARG H A 54 ASN HA 1.0 1.8 5.0 296 217 A 35 ASN HA A 36 THR HA 1.0 1.8 5.0 297 218 A 35 ASN HA A 26 LYS HA 1.0 1.8 5.0 298 219 A 35 ASN HA A 36 THR HG2% 1.0 1.8 5.0 299 220 A 35 ASN HA A 25 VAL HGy% 1.0 1.8 5.0 300 221 A 24 LEU HG A 35 ASN HBy 1.0 1.8 5.0 301 222 A 24 LEU HDx% A 35 ASN HBy 1.0 1.8 5.0 302 223 A 24 LEU HG A 35 ASN HBx 1.0 1.8 5.0 303 224 A 24 LEU HDx% A 35 ASN HBx 1.0 1.8 5.0 304 225 A 55 ARG HA A 58 GLN HGx 1.0 1.8 5.0 305 225 A 58 GLN HGy A 55 ARG HA 1.0 1.8 5.0 306 226 A 36 THR HB A 37 TRP H 1.0 1.8 5.0 307 227 A 27 TRP HD1 A 36 THR HB 1.0 1.8 6.0 308 228 A 36 THR HG2% A 25 VAL HGy% 1.0 1.8 5.0 309 229 A 36 THR HG2% A 36 THR HA 1.0 1.8 3.5 310 230 A 36 THR HG2% A 27 TRP HZ2 1.0 1.8 6.0 311 231 A 36 THR HG2% A 37 TRP H 1.0 1.8 5.0 312 232 A 11 ILE HA A 25 VAL HB 1.0 1.8 6.0 313 233 A 25 VAL HGx% A 26 LYS H 1.0 1.8 5.0 314 234 A 25 VAL HA A 25 VAL HGx% 1.0 1.8 3.5 315 235 A 25 VAL HGx% A 11 ILE HA 1.0 1.8 5.0 316 236 A 25 VAL HGx% A 38 GLU HGy 1.0 1.8 6.0 317 237 A 25 VAL HGx% A 38 GLU HBy 1.0 1.8 5.0 318 238 A 25 VAL HGx% A 38 GLU HGx 1.0 1.8 6.0 319 239 A 25 VAL HGx% A 23 TYR HBy 1.0 1.8 5.0 320 240 A 8 VAL HA A 25 VAL HGx% 1.0 1.8 5.0 321 241 A 25 VAL HGx% A 11 ILE HG1x 1.0 1.8 5.0 322 242 A 43 ILE HG1x A 25 VAL HGx% 1.0 1.8 5.0 323 243 A 25 VAL HGy% A 8 VAL HGx% 1.0 1.8 5.0 324 244 A 25 VAL HGy% A 38 GLU HBx 1.0 1.8 5.0 325 245 A 25 VAL HGy% A 38 GLU HBy 1.0 1.8 5.0 326 246 A 25 VAL HGy% A 37 TRP HA 1.0 1.8 6.0 327 247 A 25 VAL HGy% A 27 TRP HH2 1.0 1.8 5.0 328 248 A 27 TRP HD1 A 25 VAL HGy% 1.0 1.8 5.0 329 249 A 25 VAL HGy% A 36 THR H 1.0 1.8 5.0 330 250 A 13 LYS HBx A 24 LEU H 1.0 1.8 6.0 331 251 A 24 LEU HBy A 13 LYS HBx 1.0 1.8 5.0 332 252 A 13 LYS HBy A 24 LEU HBy 1.0 1.8 5.0 333 253 A 13 LYS HBy A 24 LEU HBx 1.0 1.8 5.0 334 254 A 13 LYS HBy A 24 LEU HDy% 1.0 1.8 6.0 335 255 A 13 LYS HBy A 37 TRP HH2 1.0 1.8 5.0 336 256 A 13 LYS HBy A 13 LYS HEx 1.0 1.8 5.0 337 256 A 13 LYS HBy A 13 LYS HEy 1.0 1.8 5.0 338 257 A 13 LYS HEy A 13 LYS HGy 1.0 1.8 5.0 339 257 A 13 LYS HEx A 13 LYS HGy 1.0 1.8 5.0 340 258 A 13 LYS HEy A 13 LYS HGx 1.0 1.8 5.0 341 258 A 13 LYS HGx A 13 LYS HEx 1.0 1.8 5.0 342 259 A 24 LEU HG A 13 LYS HEx 1.0 1.8 6.0 343 259 A 13 LYS HEy A 24 LEU HG 1.0 1.8 6.0 344 260 A 13 LYS HEy A 24 LEU HDx% 1.0 1.8 5.0 345 260 A 24 LEU HDx% A 13 LYS HEx 1.0 1.8 5.0 346 261 A 13 LYS HEx A 24 LEU HDy% 1.0 1.8 5.0 347 261 A 13 LYS HEy A 24 LEU HDy% 1.0 1.8 5.0 348 262 A 37 TRP HH2 A 13 LYS HEx 1.0 1.8 5.0 349 262 A 37 TRP HH2 A 13 LYS HEy 1.0 1.8 5.0 350 263 A 37 TRP HZ2 A 13 LYS HEx 1.0 1.8 5.0 351 263 A 37 TRP HZ2 A 13 LYS HEy 1.0 1.8 5.0 352 264 A 37 TRP HH2 A 13 LYS HDx 1.0 1.8 5.0 353 264 A 13 LYS HDy A 37 TRP HH2 1.0 1.8 5.0 354 265 A 13 LYS HDy A 24 LEU HDx% 1.0 1.8 5.0 355 265 A 24 LEU HDx% A 13 LYS HDx 1.0 1.8 5.0 356 266 A 13 LYS HDy A 24 LEU HDy% 1.0 1.8 5.0 357 266 A 13 LYS HDx A 24 LEU HDy% 1.0 1.8 5.0 358 267 A 37 TRP HH2 A 13 LYS HGy 1.0 1.8 5.0 359 268 A 13 LYS H A 13 LYS HGy 1.0 1.8 5.0 360 269 A 14 LYS H A 13 LYS HGy 1.0 1.8 5.0 361 270 A 14 LYS H A 13 LYS HGx 1.0 1.8 5.0 362 271 A 13 LYS H A 13 LYS HGx 1.0 1.8 5.0 363 272 A 37 TRP HH2 A 13 LYS HGx 1.0 1.8 5.0 364 273 A 52 PHE HD% A 14 LYS HBx 1.0 1.8 5.0 365 274 A 14 LYS H A 14 LYS HBx 1.0 1.8 5.0 366 275 A 15 ARG H A 14 LYS HBx 1.0 1.8 5.0 367 276 A 14 LYS H A 14 LYS HBy 1.0 1.8 5.0 368 277 A 52 PHE HD% A 14 LYS HBy 1.0 1.8 5.0 369 278 A 14 LYS HA A 14 LYS HGy 1.0 1.8 5.0 370 279 A 14 LYS HA A 14 LYS HGx 1.0 1.8 5.0 371 280 A 14 LYS HA A 14 LYS HDx 1.0 1.8 5.0 372 280 A 14 LYS HDy A 14 LYS HA 1.0 1.8 5.0 373 281 A 24 LEU HBy A 14 LYS HA 1.0 1.8 6.0 374 282 A 23 TYR HD% A 14 LYS HA 1.0 1.8 3.5 375 283 A 24 LEU H A 14 LYS HA 1.0 1.8 5.0 376 284 A 52 PHE HD% A 14 LYS HEx 1.0 1.8 6.0 377 284 A 52 PHE HD% A 14 LYS HEy 1.0 1.8 6.0 378 285 A 23 TYR HE% A 14 LYS HEx 1.0 1.8 5.0 379 285 A 23 TYR HE% A 14 LYS HEy 1.0 1.8 5.0 380 286 A 21 VAL HGx% A 14 LYS HEx 1.0 1.8 5.0 381 286 A 14 LYS HEy A 21 VAL HGx% 1.0 1.8 5.0 382 287 A 14 LYS HEx A 14 LYS HGx 1.0 1.8 3.5 383 287 A 14 LYS HEy A 14 LYS HGx 1.0 1.8 3.5 384 288 A 14 LYS HGy A 14 LYS HEx 1.0 1.8 3.5 385 288 A 14 LYS HEy A 14 LYS HGy 1.0 1.8 3.5 386 289 A 16 ILE HG1x A 14 LYS HEx 1.0 1.8 5.0 387 289 A 14 LYS HEy A 16 ILE HG1x 1.0 1.8 5.0 388 290 A 21 VAL HGy% A 14 LYS HEx 1.0 1.8 3.5 389 290 A 21 VAL HGy% A 14 LYS HEy 1.0 1.8 3.5 390 291 A 21 VAL HGy% A 14 LYS HGy 1.0 1.8 6.0 391 292 A 14 LYS H A 14 LYS HGx 1.0 1.8 6.0 392 293 A 21 VAL HGy% A 14 LYS HGx 1.0 1.8 6.0 393 294 A 21 VAL HGy% A 14 LYS HDx 1.0 1.8 5.0 394 294 A 14 LYS HDy A 21 VAL HGy% 1.0 1.8 5.0 395 295 A 52 PHE HD% A 14 LYS HDx 1.0 1.8 5.0 396 295 A 14 LYS HDy A 52 PHE HD% 1.0 1.8 5.0 397 296 A 14 LYS H A 14 LYS HDx 1.0 1.8 5.0 398 296 A 14 LYS HDy A 14 LYS H 1.0 1.8 5.0 399 297 A 22 GLU H A 14 LYS HDx 1.0 1.8 6.0 400 297 A 14 LYS HDy A 22 GLU H 1.0 1.8 6.0 401 298 A 11 ILE HA A 24 LEU H 1.0 1.8 5.0 402 299 A 11 ILE HA A 26 LYS H 1.0 1.8 5.0 403 300 A 25 VAL HA A 11 ILE HA 1.0 1.8 5.0 404 301 A 11 ILE HA A 11 ILE HG1y 1.0 1.8 5.0 405 302 A 11 ILE HA A 11 ILE HG1x 1.0 1.8 5.0 406 303 A 11 ILE HA A 12 GLU HBy 1.0 1.8 5.0 407 304 A 11 ILE HA A 12 GLU HGy 1.0 1.8 5.0 408 305 A 11 ILE HB A 55 ARG HBx 1.0 1.8 6.0 409 305 A 11 ILE HB A 55 ARG HBy 1.0 1.8 6.0 410 306 A 11 ILE HB A 52 PHE HBy 1.0 1.8 5.0 411 307 A 11 ILE HB A 52 PHE HA 1.0 1.8 5.0 412 308 A 11 ILE HB A 13 LYS H 1.0 1.8 6.0 413 309 A 52 PHE HD% A 11 ILE HB 1.0 1.8 6.0 414 310 A 11 ILE HB A 12 GLU H 1.0 1.8 6.0 415 311 A 11 ILE HD1% A 24 LEU H 1.0 1.8 6.0 416 312 A 52 PHE HD% A 11 ILE HD1% 1.0 1.8 5.0 417 313 A 11 ILE HD1% A 49 LEU H 1.0 1.8 5.0 418 314 A 23 TYR HD% A 11 ILE HD1% 1.0 1.8 5.0 419 315 A 23 TYR HE% A 11 ILE HD1% 1.0 1.8 5.0 420 316 A 11 ILE HD1% A 49 LEU HA 1.0 1.8 5.0 421 317 A 11 ILE HD1% A 11 ILE HA 1.0 1.8 5.0 422 318 A 11 ILE HD1% A 52 PHE HA 1.0 1.8 5.0 423 319 A 11 ILE HD1% A 52 PHE HBy 1.0 1.8 5.0 424 320 A 11 ILE HD1% A 23 TYR HBy 1.0 1.8 5.0 425 321 A 11 ILE HD1% A 23 TYR HBx 1.0 1.8 5.0 426 322 A 11 ILE HD1% A 48 LEU HBx 1.0 1.8 5.0 427 323 A 11 ILE HB A 11 ILE HD1% 1.0 1.8 3.5 428 324 A 11 ILE HG2% A 11 ILE HG1y 1.0 1.8 3.5 429 325 A 11 ILE HG2% A 11 ILE HG1x 1.0 1.8 5.0 430 326 A 11 ILE HG2% A 23 TYR HBy 1.0 1.8 5.0 431 327 A 11 ILE HG2% A 23 TYR HBx 1.0 1.8 5.0 432 328 A 11 ILE HG2% A 52 PHE HBy 1.0 1.8 5.0 433 329 A 11 ILE HG2% A 52 PHE HA 1.0 1.8 5.0 434 330 A 11 ILE HG2% A 11 ILE HA 1.0 1.8 3.5 435 331 A 23 TYR HA A 11 ILE HG2% 1.0 1.8 5.0 436 332 A 23 TYR HD% A 11 ILE HG2% 1.0 1.8 3.5 437 333 A 23 TYR HE% A 11 ILE HG2% 1.0 1.8 5.0 438 334 A 11 ILE HG2% A 13 LYS H 1.0 1.8 3.5 439 335 A 11 ILE HG2% A 24 LEU H 1.0 1.8 5.0 440 336 A 11 ILE HG2% A 12 GLU H 1.0 1.8 5.0 441 337 A 10 SER H A 11 ILE HG1x 1.0 1.8 6.0 442 338 A 51 ALA H A 11 ILE HG1x 1.0 1.8 6.0 443 339 A 25 VAL HGx% A 11 ILE HG1y 1.0 1.8 5.0 444 340 A 23 TYR HA A 11 ILE HG1y 1.0 1.8 5.0 445 341 A 24 LEU H A 11 ILE HG1y 1.0 1.8 5.0 446 342 A 24 LEU HBy A 12 GLU HBx 1.0 1.8 6.0 447 343 A 26 LYS H A 9 GLU HBx 1.0 1.8 5.0 448 343 A 9 GLU HBy A 26 LYS H 1.0 1.8 5.0 449 344 A 17 ARG H A 20 ARG HBx 1.0 1.8 6.0 450 345 A 28 ARG H A 9 GLU HBx 1.0 1.8 5.0 451 345 A 9 GLU HBy A 28 ARG H 1.0 1.8 5.0 452 346 A 44 LEU HG A 44 LEU HA 1.0 1.8 5.0 453 347 A 19 GLY HAx A 20 ARG HGx 1.0 1.8 5.0 454 347 A 19 GLY HAx A 20 ARG HGy 1.0 1.8 5.0 455 348 A 20 ARG HDx A 20 ARG HGx 1.0 1.8 3.5 456 348 A 20 ARG HDy A 20 ARG HGx 1.0 1.8 3.5 457 348 A 20 ARG HGy A 20 ARG HDx 1.0 1.8 3.5 458 348 A 20 ARG HGy A 20 ARG HDy 1.0 1.8 3.5 459 349 A 20 ARG HBy A 20 ARG HDx 1.0 1.8 5.0 460 349 A 20 ARG HDy A 20 ARG HBy 1.0 1.8 5.0 461 350 A 28 ARG HDy A 28 ARG HBy 1.0 1.8 5.0 462 350 A 28 ARG HBy A 28 ARG HDx 1.0 1.8 5.0 463 351 A 20 ARG HA A 20 ARG HDx 1.0 1.8 5.0 464 351 A 20 ARG HDy A 20 ARG HA 1.0 1.8 5.0 465 352 A 20 ARG HA A 20 ARG HGx 1.0 1.8 5.0 466 352 A 20 ARG HGy A 20 ARG HA 1.0 1.8 5.0 467 353 A 4 HIS H A 5 VAL HA 1.0 1.8 6.0 468 354 A 5 VAL HA A 5 VAL HGy% 1.0 1.8 3.5 469 355 A 6 PHE HD% A 5 VAL HGy% 1.0 1.8 6.0 470 356 A 6 PHE HD% A 5 VAL HGx% 1.0 1.8 6.0 471 357 A 5 VAL HA A 5 VAL HGx% 1.0 1.8 3.5 472 358 A 27 TRP HBx A 27 TRP HZ3 1.0 1.8 6.0 473 359 A 37 TRP HZ3 A 37 TRP HBx 1.0 1.8 6.0 474 360 A 37 TRP HZ3 A 37 TRP HA 1.0 1.8 6.0 475 361 A 43 ILE HD1% A 43 ILE HA 1.0 1.8 3.5 476 362 A 43 ILE HA A 43 ILE HG1y 1.0 1.8 5.0 477 363 A 40 GLU HA A 43 ILE HB 1.0 1.8 5.0 478 364 A 11 ILE HD1% A 43 ILE HB 1.0 1.8 5.0 479 365 A 43 ILE HD1% A 43 ILE HB 1.0 1.8 5.0 480 366 A 11 ILE HD1% A 43 ILE HD1% 1.0 1.8 5.0 481 367 A 25 VAL HGy% A 43 ILE HD1% 1.0 1.8 5.0 482 368 A 25 VAL HGx% A 43 ILE HD1% 1.0 1.8 3.5 483 369 A 43 ILE HD1% A 43 ILE HG2% 1.0 1.8 3.5 484 370 A 43 ILE HD1% A 38 GLU HBx 1.0 1.8 5.0 485 371 A 48 LEU HBx A 43 ILE HD1% 1.0 1.8 5.0 486 372 A 43 ILE HD1% A 38 GLU HBy 1.0 1.8 5.0 487 373 A 23 TYR HD% A 43 ILE HD1% 1.0 1.8 5.0 488 374 A 45 ASP H A 43 ILE HG2% 1.0 1.8 5.0 489 375 A 43 ILE HG2% A 43 ILE H 1.0 1.8 5.0 490 376 A 43 ILE HG2% A 46 PRO HA 1.0 1.8 5.0 491 377 A 43 ILE HA A 43 ILE HG2% 1.0 1.8 3.5 492 378 A 43 ILE HG1x A 43 ILE HG2% 1.0 1.8 5.0 493 379 A 48 LEU HBy A 43 ILE HG2% 1.0 1.8 3.5 494 380 A 49 LEU HG A 43 ILE HG2% 1.0 1.8 3.5 495 381 A 48 LEU HBx A 43 ILE HG2% 1.0 1.8 3.5 496 382 A 11 ILE HD1% A 43 ILE HG2% 1.0 1.8 3.5 497 383 A 25 VAL HGx% A 43 ILE HG2% 1.0 1.8 5.0 498 384 A 43 ILE HG1y A 43 ILE HG2% 1.0 1.8 5.0 499 385 A 23 TYR HD% A 43 ILE HG1y 1.0 1.8 5.0 500 386 A 43 ILE HG1x A 11 ILE HD1% 1.0 1.8 5.0 501 387 A 24 LEU HBx A 12 GLU HBy 1.0 1.8 5.0 502 388 A 24 LEU HBx A 12 GLU HBx 1.0 1.8 5.0 503 389 A 24 LEU HBx A 12 GLU HGx 1.0 1.8 5.0 504 390 A 37 TRP HH2 A 24 LEU HBx 1.0 1.8 6.0 505 391 A 24 LEU HA A 37 TRP HA 1.0 1.8 3.5 506 392 A 24 LEU HA A 25 VAL HA 1.0 1.8 5.0 507 393 A 25 VAL HGy% A 24 LEU HA 1.0 1.8 5.0 508 394 A 24 LEU HA A 24 LEU HG 1.0 1.8 5.0 509 395 A 24 LEU HA A 12 GLU HBy 1.0 1.8 6.0 510 396 A 24 LEU HBy A 24 LEU HDy% 1.0 1.8 5.0 511 397 A 24 LEU HBx A 24 LEU HDy% 1.0 1.8 5.0 512 398 A 24 LEU HDy% A 35 ASN HBx 1.0 1.8 5.0 513 399 A 35 ASN HBy A 24 LEU HDy% 1.0 1.8 5.0 514 400 A 24 LEU HA A 24 LEU HDy% 1.0 1.8 5.0 515 401 A 37 TRP HZ2 A 24 LEU HDy% 1.0 1.8 5.0 516 402 A 24 LEU HBy A 37 TRP HA 1.0 1.8 5.0 517 403 A 24 LEU HG A 12 GLU HBy 1.0 1.8 5.0 518 404 A 19 GLY H A 18 LYS HBy 1.0 1.8 5.0 519 405 A 21 VAL H A 21 VAL HB 1.0 1.8 3.5 520 406 A 21 VAL HB A 20 ARG H 1.0 1.8 6.0 521 407 A 16 ILE HD1% A 21 VAL HA 1.0 1.8 5.0 522 408 A 21 VAL HGx% A 21 VAL HA 1.0 1.8 3.5 523 409 A 16 ILE HG1x A 21 VAL HA 1.0 1.8 5.0 524 410 A 15 ARG H A 21 VAL HA 1.0 1.8 5.0 525 411 A 21 VAL HGy% A 21 VAL H 1.0 1.8 5.0 526 412 A 21 VAL HGy% A 22 GLU HA 1.0 1.8 5.0 527 413 A 21 VAL HGy% A 21 VAL HA 1.0 1.8 3.5 528 414 A 21 VAL HGy% A 40 GLU HBy 1.0 1.8 5.0 529 415 A 21 VAL HGx% A 20 ARG HA 1.0 1.8 5.0 530 416 A 21 VAL HGx% A 22 GLU H 1.0 1.8 5.0 531 417 A 23 TYR HE% A 21 VAL HGx% 1.0 1.8 5.0 532 418 A 21 VAL HGx% A 20 ARG H 1.0 1.8 6.0 533 419 A 27 TRP HZ3 A 6 PHE HBy 1.0 1.8 5.0 534 420 A 8 VAL HB A 48 LEU HDx% 1.0 1.8 5.0 535 421 A 8 VAL HA A 27 TRP HA 1.0 1.8 5.0 536 422 A 8 VAL HA A 9 GLU HBx 1.0 1.8 5.0 537 422 A 8 VAL HA A 9 GLU HBy 1.0 1.8 5.0 538 423 A 8 VAL HA A 8 VAL HGx% 1.0 1.8 3.5 539 424 A 8 VAL HA A 25 VAL HB 1.0 1.8 5.0 540 425 A 8 VAL HA A 9 GLU HA 1.0 1.8 5.0 541 426 A 8 VAL HA A 27 TRP HH2 1.0 1.8 6.0 542 427 A 8 VAL HA A 10 SER H 1.0 1.8 5.0 543 428 A 8 VAL HA A 9 GLU H 1.0 1.8 3.5 544 429 A 27 TRP H A 8 VAL HA 1.0 1.8 6.0 545 430 A 8 VAL HA A 28 ARG H 1.0 1.8 6.0 546 431 A 8 VAL HA A 8 VAL HGy% 1.0 1.8 3.5 547 432 A 48 LEU HDx% A 8 VAL HGx% 1.0 1.8 3.5 548 433 A 25 VAL HGy% A 8 VAL HGy% 1.0 1.8 5.0 549 434 A 23 TYR HA A 22 GLU H 1.0 1.8 6.0 550 435 A 23 TYR HA A 13 LYS H 1.0 1.8 5.0 551 436 A 23 TYR HA A 37 TRP HZ3 1.0 1.8 5.0 552 437 A 23 TYR HA A 14 LYS HA 1.0 1.8 5.0 553 438 A 23 TYR HA A 13 LYS HBy 1.0 1.8 6.0 554 439 A 23 TYR HA A 14 LYS HDx 1.0 1.8 6.0 555 439 A 14 LYS HDy A 23 TYR HA 1.0 1.8 6.0 556 440 A 21 VAL HGy% A 23 TYR HA 1.0 1.8 5.0 557 441 A 43 ILE HD1% A 23 TYR HBy 1.0 1.8 5.0 558 442 A 43 ILE HD1% A 23 TYR HBx 1.0 1.8 5.0 559 443 A 25 VAL HGx% A 23 TYR HBx 1.0 1.8 5.0 560 444 A 21 VAL HA A 16 ILE HB 1.0 1.8 6.0 561 445 A 16 ILE HD1% A 16 ILE HB 1.0 1.8 3.5 562 446 A 16 ILE HD1% A 14 LYS HEx 1.0 1.8 5.0 563 446 A 14 LYS HEy A 16 ILE HD1% 1.0 1.8 5.0 564 447 A 16 ILE HD1% A 16 ILE H 1.0 1.8 5.0 565 448 A 20 ARG H A 16 ILE HG1y 1.0 1.8 5.0 566 449 A 16 ILE HG1y A 17 ARG HA 1.0 1.8 6.0 567 450 A 21 VAL HA A 16 ILE HG1y 1.0 1.8 5.0 568 451 A 16 ILE HG1y A 14 LYS HEx 1.0 1.8 5.0 569 451 A 14 LYS HEy A 16 ILE HG1y 1.0 1.8 5.0 570 452 A 16 ILE HG1x A 16 ILE H 1.0 1.8 5.0 571 453 A 16 ILE HG2% A 21 VAL H 1.0 1.8 6.0 572 454 A 16 ILE HG2% A 17 ARG H 1.0 1.8 3.5 573 455 A 16 ILE HG2% A 21 VAL HA 1.0 1.8 5.0 574 456 A 16 ILE HG2% A 17 ARG HA 1.0 1.8 5.0 575 457 A 16 ILE HG2% A 16 ILE HG1x 1.0 1.8 3.5 576 458 A 16 ILE HG2% A 16 ILE HG1y 1.0 1.8 3.5 577 459 A 26 LYS HEx A 32 PRO HDy 1.0 1.8 6.0 578 460 A 26 LYS HEy A 32 PRO HDy 1.0 1.8 6.0 579 461 A 27 TRP H A 26 LYS HDx 1.0 1.8 5.0 580 462 A 28 ARG HA A 28 ARG HGx 1.0 1.8 5.0 581 462 A 28 ARG HA A 28 ARG HGy 1.0 1.8 5.0 582 463 A 28 ARG HA A 29 GLY H 1.0 1.8 5.0 583 464 A 28 ARG HDy A 28 ARG HBx 1.0 1.8 5.0 584 464 A 28 ARG HBx A 28 ARG HDx 1.0 1.8 5.0 585 465 A 29 GLY H A 28 ARG HGx 1.0 1.8 6.0 586 465 A 28 ARG HGy A 29 GLY H 1.0 1.8 6.0 587 466 A 20 ARG HBx A 20 ARG HDx 1.0 1.8 5.0 588 466 A 20 ARG HBx A 20 ARG HDy 1.0 1.8 5.0 589 467 A 52 PHE HD% A 49 LEU HA 1.0 1.8 5.0 590 468 A 52 PHE HBx A 49 LEU HA 1.0 1.8 5.0 591 469 A 49 LEU HA A 49 LEU HG 1.0 1.8 5.0 592 470 A 46 PRO HA A 49 LEU HBx 1.0 1.8 5.0 593 471 A 50 ILE H A 49 LEU HBx 1.0 1.8 5.0 594 472 A 49 LEU HBy A 50 ILE H 1.0 1.8 5.0 595 473 A 49 LEU HBy A 49 LEU HDy% 1.0 1.8 5.0 596 474 A 49 LEU HBx A 49 LEU HDy% 1.0 1.8 3.5 597 475 A 49 LEU HA A 49 LEU HDy% 1.0 1.8 5.0 598 476 A 23 TYR HE% A 49 LEU HDy% 1.0 1.8 6.0 599 477 A 52 PHE HD% A 49 LEU HDy% 1.0 1.8 5.0 600 478 A 49 LEU HA A 49 LEU HDx% 1.0 1.8 5.0 601 479 A 23 TYR HE% A 49 LEU HDx% 1.0 1.8 6.0 602 480 A 52 PHE HD% A 49 LEU HDx% 1.0 1.8 5.0 603 481 A 49 LEU HBy A 49 LEU HDx% 1.0 1.8 5.0 604 482 A 49 LEU HBx A 49 LEU HDx% 1.0 1.8 3.5 605 483 A 50 ILE H A 49 LEU HG 1.0 1.8 6.0 606 484 A 42 ASN HA A 41 GLU HBx 1.0 1.8 5.0 607 484 A 41 GLU HBy A 42 ASN HA 1.0 1.8 5.0 608 485 A 39 PRO HGy A 42 ASN HA 1.0 1.8 5.0 609 486 A 38 GLU HBx A 42 ASN HA 1.0 1.8 6.0 610 487 A 43 ILE HD1% A 42 ASN HA 1.0 1.8 5.0 611 488 A 38 GLU HBy A 42 ASN HBy 1.0 1.8 5.0 612 489 A 38 GLU HBx A 42 ASN HBy 1.0 1.8 5.0 613 490 A 43 ILE HD1% A 42 ASN HBy 1.0 1.8 6.0 614 491 A 39 PRO HDx A 42 ASN HBy 1.0 1.8 5.0 615 492 A 39 PRO HDx A 42 ASN HBx 1.0 1.8 5.0 616 493 A 38 GLU HBy A 42 ASN HBx 1.0 1.8 5.0 617 494 A 43 ILE HD1% A 42 ASN HBx 1.0 1.8 6.0 618 495 A 9 GLU HGy A 10 SER HBx 1.0 1.8 5.0 619 495 A 9 GLU HGx A 10 SER HBx 1.0 1.8 5.0 620 495 A 10 SER HBy A 9 GLU HGx 1.0 1.8 5.0 621 495 A 10 SER HBy A 9 GLU HGy 1.0 1.8 5.0 622 496 A 44 LEU HBy A 44 LEU HA 1.0 1.8 3.5 623 497 A 44 LEU HBy A 43 ILE H 1.0 1.8 6.0 624 498 A 44 LEU HBy A 43 ILE HA 1.0 1.8 5.0 625 499 A 44 LEU H A 44 LEU HDy% 1.0 1.8 5.0 626 500 A 44 LEU HA A 44 LEU HDy% 1.0 1.8 5.0 627 501 A 44 LEU HBy A 44 LEU HDx% 1.0 1.8 5.0 628 502 A 44 LEU HA A 44 LEU HDx% 1.0 1.8 5.0 629 503 A 44 LEU H A 44 LEU HDx% 1.0 1.8 5.0 630 504 A 21 VAL H A 20 ARG HGx 1.0 1.8 5.0 631 504 A 20 ARG HGy A 21 VAL H 1.0 1.8 5.0 632 505 A 11 ILE HG2% A 12 GLU HA 1.0 1.8 5.0 633 506 A 12 GLU H A 12 GLU HBx 1.0 1.8 5.0 634 507 A 24 LEU HBy A 12 GLU HBy 1.0 1.8 5.0 635 508 A 12 GLU HGy A 12 GLU HA 1.0 1.8 5.0 636 509 A 24 LEU HG A 12 GLU HGy 1.0 1.8 6.0 637 510 A 24 LEU HG A 12 GLU HGx 1.0 1.8 6.0 638 511 A 12 GLU HGx A 12 GLU HA 1.0 1.8 5.0 639 512 A 12 GLU H A 12 GLU HGx 1.0 1.8 5.0 640 513 A 8 VAL HB A 7 ALA HA 1.0 1.8 5.0 641 514 A 7 ALA HB% A 28 ARG HDx 1.0 1.8 5.0 642 514 A 7 ALA HB% A 28 ARG HDy 1.0 1.8 5.0 643 515 A 7 ALA HB% A 8 VAL H 1.0 1.8 3.5 644 516 A 7 ALA HB% A 7 ALA H 1.0 1.8 3.5 645 517 A 7 ALA HB% A 28 ARG H 1.0 1.8 5.0 646 518 A 34 TYR HD% A 31 SER HBy 1.0 1.8 5.0 647 519 A 33 LYS HGy A 31 SER HBy 1.0 1.8 5.0 648 519 A 31 SER HBy A 33 LYS HGx 1.0 1.8 5.0 649 520 A 33 LYS HGy A 31 SER HBx 1.0 1.8 5.0 650 520 A 31 SER HBx A 33 LYS HGx 1.0 1.8 5.0 651 521 A 17 ARG HA A 17 ARG HGy 1.0 1.8 5.0 652 522 A 17 ARG HA A 17 ARG HGx 1.0 1.8 5.0 653 523 A 17 ARG HA A 17 ARG HDy 1.0 1.8 5.0 654 524 A 19 GLY H A 17 ARG HA 1.0 1.8 5.0 655 525 A 17 ARG HA A 17 ARG HDx 1.0 1.8 5.0 656 526 A 39 PRO HDx A 38 GLU HBy 1.0 1.8 5.0 657 527 A 40 GLU HA A 40 GLU HGx 1.0 1.8 5.0 658 527 A 40 GLU HA A 40 GLU HGy 1.0 1.8 5.0 659 528 A 25 VAL HGy% A 38 GLU HGy 1.0 1.8 5.0 660 529 A 25 VAL HGy% A 38 GLU HGx 1.0 1.8 5.0 661 530 A 39 PRO HDx A 38 GLU HGx 1.0 1.8 5.0 662 531 A 38 GLU H A 38 GLU HGx 1.0 1.8 5.0 663 532 A 38 GLU HBx A 42 ASN HBx 1.0 1.8 5.0 664 533 A 38 GLU HA A 39 PRO HGy 1.0 1.8 5.0 665 534 A 38 GLU HA A 39 PRO HDx 1.0 1.8 3.5 666 535 A 38 GLU HA A 42 ASN HD2x 1.0 1.8 6.0 667 536 A 45 ASP HBy A 44 LEU H 1.0 1.8 6.0 668 537 A 45 ASP HBy A 46 PRO HDx 1.0 1.8 5.0 669 537 A 46 PRO HDy A 45 ASP HBy 1.0 1.8 5.0 670 538 A 44 LEU HBy A 45 ASP HBy 1.0 1.8 6.0 671 539 A 48 LEU HG A 45 ASP HBy 1.0 1.8 6.0 672 540 A 45 ASP HBx A 46 PRO HDx 1.0 1.8 5.0 673 540 A 46 PRO HDy A 45 ASP HBx 1.0 1.8 5.0 674 541 A 45 ASP HA A 46 PRO HDx 1.0 1.8 3.5 675 541 A 46 PRO HDy A 45 ASP HA 1.0 1.8 3.5 676 542 A 45 ASP HA A 46 PRO HGx 1.0 1.8 5.0 677 542 A 45 ASP HA A 46 PRO HGy 1.0 1.8 5.0 678 543 A 44 LEU HBy A 45 ASP HA 1.0 1.8 6.0 679 544 A 48 LEU HG A 45 ASP HA 1.0 1.8 6.0 680 545 A 53 GLN HA A 56 GLU HBx 1.0 1.8 5.0 681 545 A 56 GLU HBy A 53 GLN HA 1.0 1.8 5.0 682 546 A 53 GLN HA A 53 GLN HGy 1.0 1.8 5.0 683 547 A 53 GLN HA A 53 GLN HGx 1.0 1.8 5.0 684 548 A 52 PHE HD% A 53 GLN HA 1.0 1.8 5.0 685 549 A 52 PHE HD% A 53 GLN HGy 1.0 1.8 5.0 686 550 A 53 GLN H A 53 GLN HGx 1.0 1.8 5.0 687 551 A 52 PHE HD% A 53 GLN HGx 1.0 1.8 5.0 688 552 A 49 LEU HG A 46 PRO HA 1.0 1.8 5.0 689 553 A 49 LEU HBy A 46 PRO HA 1.0 1.8 5.0 690 554 A 47 ARG H A 46 PRO HGx 1.0 1.8 5.0 691 554 A 47 ARG H A 46 PRO HGy 1.0 1.8 5.0 692 555 A 41 GLU H A 40 GLU HBy 1.0 1.8 5.0 693 556 A 41 GLU H A 40 GLU HBx 1.0 1.8 5.0 694 557 A 21 VAL HGy% A 40 GLU HBx 1.0 1.8 5.0 695 558 A 43 ILE HG1x A 40 GLU HA 1.0 1.8 5.0 696 559 A 40 GLU HA A 43 ILE HG1y 1.0 1.8 5.0 697 560 A 40 GLU HA A 39 PRO HA 1.0 1.8 5.0 698 561 A 40 GLU HA A 43 ILE H 1.0 1.8 5.0 699 562 A 40 GLU HA A 42 ASN H 1.0 1.8 5.0 700 563 A 40 GLU H A 41 GLU HGx 1.0 1.8 6.0 701 563 A 40 GLU H A 41 GLU HGy 1.0 1.8 6.0 702 564 A 23 TYR HE% A 40 GLU HGx 1.0 1.8 5.0 703 564 A 23 TYR HE% A 40 GLU HGy 1.0 1.8 5.0 704 565 A 22 GLU H A 21 VAL HB 1.0 1.8 5.0 705 566 A 53 GLN HA A 52 PHE H 1.0 1.8 6.0 706 567 A 19 GLY H A 18 LYS HBx 1.0 1.8 5.0 707 568 A 19 GLY H A 20 ARG HGx 1.0 1.8 6.0 708 568 A 20 ARG HGy A 19 GLY H 1.0 1.8 6.0 709 569 A 18 LYS HA A 19 GLY H 1.0 1.8 5.0 710 570 A 10 SER H A 9 GLU HBx 1.0 1.8 3.5 711 570 A 9 GLU HBy A 10 SER H 1.0 1.8 3.5 712 571 A 36 THR H A 35 ASN HBx 1.0 1.8 5.0 713 572 A 36 THR H A 35 ASN HBy 1.0 1.8 5.0 714 573 A 35 ASN HA A 36 THR H 1.0 1.8 3.5 715 574 A 13 LYS H A 12 GLU HBy 1.0 1.8 5.0 716 575 A 13 LYS H A 12 GLU HBx 1.0 1.8 5.0 717 576 A 54 ASN H A 53 GLN HBy 1.0 1.8 5.0 718 577 A 41 GLU H A 39 PRO HBy 1.0 1.8 3.5 719 578 A 41 GLU H A 41 GLU HBx 1.0 1.8 3.5 720 578 A 41 GLU HBy A 41 GLU H 1.0 1.8 3.5 721 579 A 34 TYR H A 33 LYS HBy 1.0 1.8 5.0 722 580 A 34 TYR H A 33 LYS HDx 1.0 1.8 6.0 723 580 A 33 LYS HDy A 34 TYR H 1.0 1.8 6.0 724 581 A 42 ASN H A 41 GLU HBx 1.0 1.8 5.0 725 581 A 41 GLU HBy A 42 ASN H 1.0 1.8 5.0 726 582 A 45 ASP H A 44 LEU HBx 1.0 1.8 5.0 727 583 A 44 LEU HBy A 45 ASP H 1.0 1.8 5.0 728 584 A 48 LEU H A 47 ARG HBx 1.0 1.8 5.0 729 584 A 47 ARG HBy A 48 LEU H 1.0 1.8 5.0 730 585 A 23 TYR H A 22 GLU HBy 1.0 1.8 5.0 731 586 A 23 TYR H A 22 GLU HBx 1.0 1.8 5.0 732 587 A 22 GLU HA A 23 TYR H 1.0 1.8 3.5 733 588 A 51 ALA HB% A 52 PHE H 1.0 1.8 3.5 734 589 A 30 TRP HBx A 31 SER H 1.0 1.8 5.0 735 590 A 31 SER H A 34 TYR HBx 1.0 1.8 5.0 736 590 A 31 SER H A 34 TYR HBy 1.0 1.8 5.0 737 591 A 31 SER H A 30 TRP HA 1.0 1.8 3.5 738 592 A 53 GLN H A 52 PHE HBx 1.0 1.8 3.5 739 593 A 53 GLN H A 52 PHE HBy 1.0 1.8 5.0 740 594 A 31 SER HA A 33 LYS H 1.0 1.8 6.0 741 595 A 49 LEU HBy A 49 LEU H 1.0 1.8 3.5 742 596 A 48 LEU HBy A 49 LEU H 1.0 1.8 5.0 743 597 A 16 ILE H A 15 ARG HA 1.0 1.8 3.5 744 598 A 15 ARG HBx A 16 ILE H 1.0 1.8 5.0 745 599 A 16 ILE H A 15 ARG HBy 1.0 1.8 3.5 746 600 A 16 ILE HB A 16 ILE H 1.0 1.8 3.5 747 601 A 57 ARG H A 56 GLU HBx 1.0 1.8 5.0 748 601 A 56 GLU HBy A 57 ARG H 1.0 1.8 5.0 749 602 A 57 ARG H A 57 ARG HBy 1.0 1.8 5.0 750 603 A 57 ARG H A 57 ARG HBx 1.0 1.8 5.0 751 604 A 35 ASN H A 34 TYR HBx 1.0 1.8 5.0 752 604 A 34 TYR HBy A 35 ASN H 1.0 1.8 5.0 753 605 A 56 GLU H A 56 GLU HBx 1.0 1.8 3.5 754 605 A 56 GLU HBy A 56 GLU H 1.0 1.8 3.5 755 606 A 40 GLU H A 39 PRO HBy 1.0 1.8 3.5 756 607 A 40 GLU H A 40 GLU HBy 1.0 1.8 5.0 757 608 A 40 GLU H A 39 PRO HA 1.0 1.8 3.5 758 609 A 40 GLU H A 39 PRO HBx 1.0 1.8 5.0 759 610 A 40 GLU H A 40 GLU HGx 1.0 1.8 5.0 760 610 A 40 GLU H A 40 GLU HGy 1.0 1.8 5.0 761 611 A 54 ASN HBy A 55 ARG H 1.0 1.8 5.0 762 612 A 55 ARG H A 54 ASN HA 1.0 1.8 5.0 763 613 A 36 THR HA A 37 TRP H 1.0 1.8 3.5 764 614 A 25 VAL HA A 26 LYS H 1.0 1.8 3.5 765 615 A 25 VAL HB A 26 LYS H 1.0 1.8 3.5 766 616 A 26 LYS H A 26 LYS HBx 1.0 1.8 5.0 767 617 A 13 LYS HBy A 14 LYS H 1.0 1.8 5.0 768 618 A 13 LYS HBx A 14 LYS H 1.0 1.8 3.5 769 619 A 14 LYS H A 13 LYS HA 1.0 1.8 3.5 770 620 A 15 ARG H A 14 LYS HA 1.0 1.8 3.5 771 621 A 15 ARG H A 14 LYS HBy 1.0 1.8 5.0 772 622 A 15 ARG H A 14 LYS HDx 1.0 1.8 5.0 773 622 A 14 LYS HDy A 15 ARG H 1.0 1.8 5.0 774 623 A 12 GLU H A 12 GLU HBy 1.0 1.8 5.0 775 624 A 12 GLU H A 11 ILE HA 1.0 1.8 3.5 776 625 A 20 ARG HA A 21 VAL H 1.0 1.8 3.5 777 626 A 20 ARG HBx A 21 VAL H 1.0 1.8 3.5 778 627 A 20 ARG HBy A 21 VAL H 1.0 1.8 5.0 779 628 A 5 VAL HA A 6 PHE H 1.0 1.8 3.5 780 629 A 6 PHE H A 5 VAL HB 1.0 1.8 5.0 781 630 A 27 TRP HBy A 28 ARG H 1.0 1.8 5.0 782 631 A 27 TRP HBx A 28 ARG H 1.0 1.8 5.0 783 632 A 27 TRP HA A 28 ARG H 1.0 1.8 3.5 784 633 A 37 TRP HA A 38 GLU H 1.0 1.8 3.5 785 634 A 37 TRP HBy A 38 GLU H 1.0 1.8 5.0 786 635 A 37 TRP HBx A 38 GLU H 1.0 1.8 5.0 787 636 A 44 LEU H A 43 ILE HB 1.0 1.8 5.0 788 637 A 43 ILE HA A 44 LEU H 1.0 1.8 3.5 789 638 A 24 LEU HA A 25 VAL H 1.0 1.8 3.5 790 639 A 24 LEU HBx A 25 VAL H 1.0 1.8 5.0 791 640 A 4 HIS H A 3 GLU HBy 1.0 1.8 5.0 792 641 A 4 HIS H A 3 GLU HBx 1.0 1.8 5.0 793 642 A 22 GLU H A 22 GLU HBy 1.0 1.8 5.0 794 643 A 22 GLU H A 21 VAL HA 1.0 1.8 3.5 795 644 A 7 ALA H A 6 PHE HBy 1.0 1.8 5.0 796 645 A 7 ALA H A 6 PHE HBx 1.0 1.8 5.0 797 646 A 7 ALA H A 6 PHE HA 1.0 1.8 3.5 798 647 A 23 TYR HA A 24 LEU H 1.0 1.8 3.5 799 648 A 24 LEU H A 23 TYR HBy 1.0 1.8 5.0 800 649 A 24 LEU H A 23 TYR HBx 1.0 1.8 5.0 801 650 A 17 ARG H A 16 ILE HB 1.0 1.8 5.0 802 651 A 17 ARG H A 16 ILE HA 1.0 1.8 3.5 803 652 A 27 TRP H A 26 LYS HA 1.0 1.8 3.5 804 653 A 27 TRP H A 25 VAL HB 1.0 1.8 5.0 805 654 A 50 ILE H A 50 ILE HG1y 1.0 1.8 5.0 806 655 A 43 ILE H A 42 ASN HBy 1.0 1.8 5.0 807 656 A 43 ILE H A 42 ASN HBx 1.0 1.8 5.0 808 657 A 7 ALA HA A 8 VAL H 1.0 1.8 3.5 809 658 A 34 TYR H A 33 LYS H 1.0 1.8 5.0 810 659 A 34 TYR HD% A 34 TYR H 1.0 1.8 3.5 811 660 A 34 TYR H A 34 TYR HBx 1.0 1.8 3.5 812 660 A 34 TYR H A 34 TYR HBy 1.0 1.8 3.5 813 661 A 34 TYR H A 33 LYS HGx 1.0 1.8 5.0 814 661 A 33 LYS HGy A 34 TYR H 1.0 1.8 5.0 815 662 A 34 TYR HE% A 34 TYR H 1.0 1.8 6.0 816 663 A 42 ASN H A 41 GLU HGx 1.0 1.8 5.0 817 663 A 41 GLU HGy A 42 ASN H 1.0 1.8 5.0 818 664 A 42 ASN H A 42 ASN HBy 1.0 1.8 5.0 819 665 A 42 ASN H A 42 ASN HBx 1.0 1.8 5.0 820 666 A 42 ASN H A 39 PRO HDx 1.0 1.8 5.0 821 667 A 42 ASN H A 43 ILE H 1.0 1.8 3.5 822 668 A 41 GLU H A 42 ASN H 1.0 1.8 3.5 823 669 A 42 ASN H A 39 PRO HGy 1.0 1.8 5.0 824 670 A 42 ASN H A 43 ILE HG1y 1.0 1.8 5.0 825 671 A 43 ILE HD1% A 42 ASN H 1.0 1.8 5.0 826 672 A 48 LEU HBy A 48 LEU H 1.0 1.8 5.0 827 673 A 48 LEU H A 48 LEU HDx% 1.0 1.8 5.0 828 674 A 23 TYR H A 23 TYR HBx 1.0 1.8 5.0 829 675 A 23 TYR H A 23 TYR HBy 1.0 1.8 5.0 830 676 A 23 TYR HD% A 23 TYR H 1.0 1.8 5.0 831 677 A 37 TRP HZ3 A 23 TYR H 1.0 1.8 5.0 832 678 A 38 GLU H A 23 TYR H 1.0 1.8 5.0 833 679 A 22 GLU H A 23 TYR H 1.0 1.8 5.0 834 680 A 53 GLN H A 52 PHE H 1.0 1.8 3.5 835 681 A 52 PHE HBy A 52 PHE H 1.0 1.8 3.5 836 682 A 52 PHE HBx A 52 PHE H 1.0 1.8 3.5 837 683 A 11 ILE HB A 52 PHE H 1.0 1.8 5.0 838 684 A 52 PHE HD% A 52 PHE H 1.0 1.8 5.0 839 685 A 31 SER H A 31 SER HBy 1.0 1.8 5.0 840 686 A 31 SER H A 31 SER HBx 1.0 1.8 5.0 841 687 A 30 TRP HZ3 A 31 SER H 1.0 1.8 6.0 842 688 A 31 SER H A 34 TYR HE% 1.0 1.8 6.0 843 689 A 53 GLN H A 54 ASN H 1.0 1.8 5.0 844 690 A 53 GLN H A 50 ILE HA 1.0 1.8 5.0 845 691 A 53 GLN H A 53 GLN HGy 1.0 1.8 5.0 846 692 A 53 GLN H A 53 GLN HBx 1.0 1.8 5.0 847 693 A 53 GLN H A 53 GLN HBy 1.0 1.8 5.0 848 694 A 53 GLN H A 11 ILE HD1% 1.0 1.8 6.0 849 695 A 33 LYS H A 33 LYS HGx 1.0 1.8 6.0 850 695 A 33 LYS HGy A 33 LYS H 1.0 1.8 6.0 851 696 A 49 LEU H A 49 LEU HDy% 1.0 1.8 5.0 852 697 A 49 LEU H A 49 LEU HDx% 1.0 1.8 5.0 853 698 A 49 LEU H A 43 ILE HG2% 1.0 1.8 5.0 854 699 A 49 LEU HG A 49 LEU H 1.0 1.8 3.5 855 700 A 49 LEU H A 49 LEU HBx 1.0 1.8 5.0 856 701 A 49 LEU H A 46 PRO HA 1.0 1.8 5.0 857 702 A 48 LEU H A 49 LEU H 1.0 1.8 3.5 858 703 A 47 ARG H A 49 LEU H 1.0 1.8 5.0 859 704 A 16 ILE H A 15 ARG HGx 1.0 1.8 5.0 860 705 A 16 ILE HG2% A 16 ILE H 1.0 1.8 5.0 861 706 A 16 ILE H A 16 ILE HG1y 1.0 1.8 5.0 862 707 A 16 ILE H A 15 ARG HGy 1.0 1.8 5.0 863 708 A 17 ARG H A 16 ILE H 1.0 1.8 5.0 864 709 A 34 TYR H A 35 ASN H 1.0 1.8 3.5 865 710 A 35 ASN H A 32 PRO HA 1.0 1.8 5.0 866 711 A 33 LYS HA A 35 ASN H 1.0 1.8 5.0 867 712 A 35 ASN H A 35 ASN HBy 1.0 1.8 5.0 868 713 A 35 ASN H A 35 ASN HBx 1.0 1.8 5.0 869 714 A 30 TRP HBx A 30 TRP H 1.0 1.8 5.0 870 715 A 30 TRP HBy A 30 TRP H 1.0 1.8 3.5 871 716 A 28 ARG HA A 30 TRP H 1.0 1.8 5.0 872 717 A 30 TRP HD1 A 30 TRP H 1.0 1.8 5.0 873 718 A 29 GLY H A 30 TRP H 1.0 1.8 5.0 874 719 A 40 GLU H A 41 GLU H 1.0 1.8 5.0 875 720 A 40 GLU H A 23 TYR H 1.0 1.8 6.0 876 721 A 23 TYR HD% A 40 GLU H 1.0 1.8 5.0 877 722 A 40 GLU H A 40 GLU HBx 1.0 1.8 5.0 878 723 A 40 GLU H A 39 PRO HGy 1.0 1.8 5.0 879 724 A 21 VAL HGy% A 40 GLU H 1.0 1.8 5.0 880 725 A 20 ARG HBy A 20 ARG H 1.0 1.8 3.5 881 726 A 20 ARG HBx A 20 ARG H 1.0 1.8 5.0 882 727 A 20 ARG H A 20 ARG HGx 1.0 1.8 3.5 883 727 A 20 ARG HGy A 20 ARG H 1.0 1.8 3.5 884 728 A 16 ILE HG2% A 20 ARG H 1.0 1.8 5.0 885 729 A 20 ARG H A 20 ARG HDx 1.0 1.8 5.0 886 729 A 20 ARG HDy A 20 ARG H 1.0 1.8 5.0 887 730 A 20 ARG H A 17 ARG HA 1.0 1.8 5.0 888 731 A 19 GLY H A 20 ARG H 1.0 1.8 3.5 889 732 A 17 ARG H A 20 ARG H 1.0 1.8 3.5 890 733 A 52 PHE HA A 55 ARG H 1.0 1.8 5.0 891 734 A 55 ARG H A 55 ARG HDx 1.0 1.8 5.0 892 734 A 55 ARG HDy A 55 ARG H 1.0 1.8 5.0 893 735 A 55 ARG H A 55 ARG HBx 1.0 1.8 3.5 894 735 A 55 ARG HBy A 55 ARG H 1.0 1.8 3.5 895 736 A 25 VAL HGy% A 27 TRP HE1 1.0 1.8 5.0 896 737 A 25 VAL HGx% A 27 TRP HE1 1.0 1.8 5.0 897 738 A 36 THR HG2% A 27 TRP HE1 1.0 1.8 3.5 898 739 A 36 THR HB A 27 TRP HE1 1.0 1.8 5.0 899 740 A 35 ASN HA A 27 TRP HE1 1.0 1.8 6.0 900 741 A 37 TRP HE1 A 24 LEU HDx% 1.0 1.8 5.0 901 742 A 37 TRP HE1 A 24 LEU HDy% 1.0 1.8 5.0 902 743 A 16 ILE HG2% A 19 GLY H 1.0 1.8 5.0 903 744 A 34 TYR H A 32 PRO HA 1.0 1.8 5.0 904 745 A 40 GLU H A 42 ASN H 1.0 1.8 5.0 905 746 A 48 LEU H A 45 ASP HBy 1.0 1.8 5.0 906 747 A 48 LEU H A 45 ASP HBx 1.0 1.8 5.0 907 748 A 48 LEU H A 46 PRO HA 1.0 1.8 5.0 908 749 A 48 LEU H A 45 ASP HA 1.0 1.8 6.0 909 750 A 11 ILE HD1% A 52 PHE H 1.0 1.8 5.0 910 751 A 11 ILE HG2% A 52 PHE H 1.0 1.8 5.0 911 752 A 50 ILE HA A 52 PHE H 1.0 1.8 5.0 912 753 A 49 LEU HA A 52 PHE H 1.0 1.8 5.0 913 754 A 54 ASN H A 52 PHE H 1.0 1.8 5.0 914 755 A 31 SER H A 34 TYR H 1.0 1.8 5.0 915 756 A 33 LYS H A 35 ASN H 1.0 1.8 6.0 916 757 A 25 VAL HGx% A 10 SER H 1.0 1.8 6.0 917 758 A 10 SER H A 25 VAL HB 1.0 1.8 5.0 918 759 A 10 SER H A 26 LYS HGx 1.0 1.8 6.0 919 759 A 26 LYS HGy A 10 SER H 1.0 1.8 6.0 920 760 A 10 SER H A 9 GLU HGx 1.0 1.8 5.0 921 760 A 9 GLU HGy A 10 SER H 1.0 1.8 5.0 922 761 A 9 GLU H A 10 SER H 1.0 1.8 3.5 923 762 A 56 GLU H A 57 ARG H 1.0 1.8 5.0 924 763 A 57 ARG H A 57 ARG HGy 1.0 1.8 6.0 925 764 A 57 ARG H A 57 ARG HGx 1.0 1.8 6.0 926 765 A 56 GLU H A 55 ARG H 1.0 1.8 5.0 927 766 A 56 GLU H A 53 GLN HA 1.0 1.8 5.0 928 767 A 58 GLN H A 55 ARG HA 1.0 1.8 5.0 929 768 A 53 GLN H A 51 ALA H 1.0 1.8 5.0 930 769 A 51 ALA H A 52 PHE H 1.0 1.8 3.5 931 770 A 51 ALA H A 49 LEU HA 1.0 1.8 5.0 932 771 A 51 ALA H A 52 PHE HBy 1.0 1.8 6.0 933 772 A 52 PHE HBx A 50 ILE H 1.0 1.8 6.0 934 773 A 52 PHE HBx A 51 ALA H 1.0 1.8 6.0 935 774 A 51 ALA HB% A 51 ALA H 1.0 1.8 3.5 936 775 A 11 ILE HD1% A 51 ALA H 1.0 1.8 6.0 937 776 A 54 ASN H A 55 ARG H 1.0 1.8 5.0 938 777 A 21 VAL H A 20 ARG H 1.0 1.8 5.0 939 778 A 18 LYS HA A 20 ARG H 1.0 1.8 5.0 940 779 A 36 THR H A 27 TRP HE1 1.0 1.8 5.0 941 780 A 27 TRP HD1 A 36 THR H 1.0 1.8 5.0 942 781 A 24 LEU HA A 36 THR H 1.0 1.8 5.0 943 782 A 36 THR HG2% A 36 THR H 1.0 1.8 5.0 944 783 A 24 LEU HG A 36 THR H 1.0 1.8 6.0 945 784 A 25 VAL HGx% A 36 THR H 1.0 1.8 6.0 946 785 A 37 TRP H A 38 GLU H 1.0 1.8 5.0 947 786 A 37 TRP H A 36 THR H 1.0 1.8 5.0 948 787 A 37 TRP HD1 A 37 TRP H 1.0 1.8 5.0 949 788 A 37 TRP HBy A 37 TRP H 1.0 1.8 3.5 950 789 A 37 TRP H A 37 TRP HBx 1.0 1.8 5.0 951 790 A 24 LEU HA A 37 TRP H 1.0 1.8 6.0 952 791 A 37 TRP H A 24 LEU HDy% 1.0 1.8 6.0 953 792 A 37 TRP H A 24 LEU HDx% 1.0 1.8 6.0 954 793 A 25 VAL HGy% A 26 LYS H 1.0 1.8 5.0 955 794 A 26 LYS H A 26 LYS HBy 1.0 1.8 5.0 956 795 A 26 LYS H A 12 GLU HGx 1.0 1.8 5.0 957 796 A 26 LYS H A 12 GLU HGy 1.0 1.8 5.0 958 797 A 26 LYS H A 10 SER HBx 1.0 1.8 5.0 959 797 A 10 SER HBy A 26 LYS H 1.0 1.8 5.0 960 798 A 26 LYS H A 25 VAL H 1.0 1.8 6.0 961 799 A 9 GLU H A 26 LYS H 1.0 1.8 6.0 962 800 A 23 TYR HD% A 14 LYS H 1.0 1.8 6.0 963 801 A 24 LEU H A 14 LYS H 1.0 1.8 6.0 964 802 A 14 LYS H A 15 ARG H 1.0 1.8 5.0 965 803 A 23 TYR HA A 14 LYS H 1.0 1.8 6.0 966 804 A 14 LYS H A 14 LYS HGy 1.0 1.8 6.0 967 805 A 21 VAL HGy% A 15 ARG H 1.0 1.8 5.0 968 806 A 15 ARG HBx A 15 ARG H 1.0 1.8 5.0 969 807 A 23 TYR HA A 15 ARG H 1.0 1.8 5.0 970 808 A 23 TYR HD% A 15 ARG H 1.0 1.8 5.0 971 809 A 23 TYR HE% A 15 ARG H 1.0 1.8 5.0 972 810 A 37 TRP HZ3 A 15 ARG H 1.0 1.8 5.0 973 811 A 15 ARG H A 16 ILE H 1.0 1.8 5.0 974 812 A 15 ARG H A 22 GLU H 1.0 1.8 5.0 975 813 A 12 GLU H A 24 LEU H 1.0 1.8 5.0 976 814 A 12 GLU H A 26 LYS H 1.0 1.8 6.0 977 815 A 23 TYR HD% A 12 GLU H 1.0 1.8 6.0 978 816 A 12 GLU H A 12 GLU HGy 1.0 1.8 3.5 979 817 A 13 LYS HBy A 12 GLU H 1.0 1.8 5.0 980 818 A 12 GLU H A 24 LEU HBx 1.0 1.8 5.0 981 819 A 12 GLU H A 11 ILE HG1y 1.0 1.8 5.0 982 820 A 12 GLU H A 25 VAL HGx% 1.0 1.8 6.0 983 821 A 24 LEU HBy A 12 GLU H 1.0 1.8 5.0 984 822 A 21 VAL HGx% A 21 VAL H 1.0 1.8 3.5 985 823 A 21 VAL H A 20 ARG HDx 1.0 1.8 6.0 986 823 A 20 ARG HDy A 21 VAL H 1.0 1.8 6.0 987 824 A 22 GLU H A 21 VAL H 1.0 1.8 5.0 988 825 A 7 ALA H A 6 PHE H 1.0 1.8 5.0 989 826 A 6 PHE HD% A 6 PHE H 1.0 1.8 5.0 990 827 A 6 PHE H A 6 PHE HBy 1.0 1.8 5.0 991 828 A 6 PHE H A 6 PHE HBx 1.0 1.8 5.0 992 829 A 6 PHE H A 5 VAL HGx% 1.0 1.8 5.0 993 830 A 6 PHE H A 5 VAL HGy% 1.0 1.8 5.0 994 831 A 28 ARG H A 28 ARG HBy 1.0 1.8 5.0 995 832 A 28 ARG H A 28 ARG HBx 1.0 1.8 5.0 996 833 A 28 ARG H A 28 ARG HGx 1.0 1.8 5.0 997 833 A 28 ARG H A 28 ARG HGy 1.0 1.8 5.0 998 834 A 30 TRP HD1 A 28 ARG H 1.0 1.8 6.0 999 835 A 28 ARG H A 30 TRP H 1.0 1.8 6.0 1000 836 A 38 GLU H A 25 VAL H 1.0 1.8 6.0 1001 837 A 37 TRP HZ3 A 38 GLU H 1.0 1.8 6.0 1002 838 A 39 PRO HDx A 38 GLU H 1.0 1.8 5.0 1003 839 A 24 LEU HA A 38 GLU H 1.0 1.8 5.0 1004 840 A 38 GLU HBx A 38 GLU H 1.0 1.8 5.0 1005 841 A 38 GLU H A 38 GLU HGy 1.0 1.8 5.0 1006 842 A 38 GLU HBy A 38 GLU H 1.0 1.8 5.0 1007 843 A 25 VAL HGy% A 38 GLU H 1.0 1.8 5.0 1008 844 A 25 VAL HGx% A 38 GLU H 1.0 1.8 6.0 1009 845 A 44 LEU H A 43 ILE HG2% 1.0 1.8 5.0 1010 846 A 43 ILE HD1% A 44 LEU H 1.0 1.8 5.0 1011 847 A 48 LEU HDx% A 44 LEU H 1.0 1.8 6.0 1012 848 A 44 LEU HBy A 44 LEU H 1.0 1.8 3.5 1013 849 A 36 THR H A 25 VAL H 1.0 1.8 5.0 1014 850 A 27 TRP HD1 A 25 VAL H 1.0 1.8 6.0 1015 851 A 37 TRP HA A 25 VAL H 1.0 1.8 5.0 1016 852 A 11 ILE HA A 25 VAL H 1.0 1.8 6.0 1017 853 A 25 VAL HB A 25 VAL H 1.0 1.8 5.0 1018 854 A 24 LEU HG A 25 VAL H 1.0 1.8 5.0 1019 855 A 43 ILE HD1% A 25 VAL H 1.0 1.8 5.0 1020 856 A 25 VAL HGy% A 25 VAL H 1.0 1.8 3.5 1021 857 A 25 VAL HGx% A 25 VAL H 1.0 1.8 5.0 1022 858 A 24 LEU HBy A 25 VAL H 1.0 1.8 5.0 1023 859 A 23 TYR HD% A 22 GLU H 1.0 1.8 6.0 1024 860 A 23 TYR HE% A 22 GLU H 1.0 1.8 6.0 1025 861 A 22 GLU H A 15 ARG HDy 1.0 1.8 6.0 1026 862 A 22 GLU H A 22 GLU HBx 1.0 1.8 5.0 1027 863 A 16 ILE HG1x A 22 GLU H 1.0 1.8 5.0 1028 864 A 22 GLU H A 15 ARG HDx 1.0 1.8 6.0 1029 865 A 21 VAL HGy% A 22 GLU H 1.0 1.8 3.5 1030 866 A 7 ALA H A 27 TRP HH2 1.0 1.8 6.0 1031 867 A 7 ALA H A 6 PHE HD% 1.0 1.8 5.0 1032 868 A 7 ALA H A 28 ARG H 1.0 1.8 6.0 1033 869 A 27 TRP H A 9 GLU H 1.0 1.8 6.0 1034 870 A 9 GLU H A 28 ARG H 1.0 1.8 6.0 1035 871 A 9 GLU H A 8 VAL H 1.0 1.8 6.0 1036 872 A 9 GLU H A 9 GLU HBx 1.0 1.8 3.5 1037 872 A 9 GLU H A 9 GLU HBy 1.0 1.8 3.5 1038 873 A 9 GLU H A 9 GLU HGx 1.0 1.8 5.0 1039 873 A 9 GLU H A 9 GLU HGy 1.0 1.8 5.0 1040 874 A 24 LEU HBy A 24 LEU H 1.0 1.8 5.0 1041 875 A 24 LEU H A 24 LEU HDy% 1.0 1.8 5.0 1042 876 A 24 LEU H A 24 LEU HDx% 1.0 1.8 5.0 1043 877 A 24 LEU HG A 24 LEU H 1.0 1.8 6.0 1044 878 A 24 LEU HBx A 24 LEU H 1.0 1.8 3.5 1045 879 A 24 LEU H A 12 GLU HBy 1.0 1.8 5.0 1046 880 A 13 LYS HBy A 24 LEU H 1.0 1.8 5.0 1047 881 A 25 VAL HA A 24 LEU H 1.0 1.8 6.0 1048 882 A 37 TRP HA A 24 LEU H 1.0 1.8 6.0 1049 883 A 23 TYR HD% A 24 LEU H 1.0 1.8 5.0 1050 884 A 37 TRP HZ3 A 24 LEU H 1.0 1.8 5.0 1051 885 A 24 LEU H A 25 VAL H 1.0 1.8 5.0 1052 886 A 24 LEU H A 23 TYR H 1.0 1.8 5.0 1053 887 A 17 ARG H A 19 GLY H 1.0 1.8 5.0 1054 888 A 17 ARG H A 21 VAL HA 1.0 1.8 5.0 1055 889 A 17 ARG H A 17 ARG HBy 1.0 1.8 5.0 1056 890 A 17 ARG H A 21 VAL HB 1.0 1.8 6.0 1057 891 A 17 ARG H A 17 ARG HBx 1.0 1.8 5.0 1058 892 A 16 ILE HG1x A 17 ARG H 1.0 1.8 5.0 1059 893 A 17 ARG H A 16 ILE HD1% 1.0 1.8 5.0 1060 894 A 17 ARG H A 16 ILE HG1y 1.0 1.8 6.0 1061 895 A 27 TRP H A 26 LYS HDy 1.0 1.8 5.0 1062 896 A 27 TRP HBy A 27 TRP H 1.0 1.8 5.0 1063 897 A 27 TRP HBx A 27 TRP H 1.0 1.8 5.0 1064 898 A 35 ASN HA A 27 TRP H 1.0 1.8 5.0 1065 899 A 27 TRP H A 26 LYS H 1.0 1.8 5.0 1066 900 A 27 TRP H A 36 THR H 1.0 1.8 6.0 1067 901 A 50 ILE H A 50 ILE HB 1.0 1.8 3.5 1068 902 A 51 ALA H A 50 ILE HB 1.0 1.8 3.5 1069 903 A 50 ILE H A 50 ILE HG1x 1.0 1.8 5.0 1070 904 A 53 GLN H A 55 ARG H 1.0 1.8 5.0 1071 905 A 44 LEU H A 43 ILE H 1.0 1.8 5.0 1072 906 A 41 GLU H A 43 ILE H 1.0 1.8 6.0 1073 907 A 23 TYR HE% A 43 ILE H 1.0 1.8 6.0 1074 908 A 41 GLU HA A 43 ILE H 1.0 1.8 5.0 1075 909 A 43 ILE HB A 43 ILE H 1.0 1.8 3.5 1076 910 A 43 ILE HG1y A 43 ILE H 1.0 1.8 3.5 1077 911 A 43 ILE HG1x A 43 ILE H 1.0 1.8 5.0 1078 912 A 43 ILE HD1% A 43 ILE H 1.0 1.8 5.0 1079 913 A 48 LEU HDx% A 43 ILE H 1.0 1.8 6.0 1080 914 A 45 ASP H A 48 LEU HDx% 1.0 1.8 5.0 1081 915 A 45 ASP H A 45 ASP HBy 1.0 1.8 3.5 1082 916 A 45 ASP H A 45 ASP HBx 1.0 1.8 3.5 1083 917 A 45 ASP H A 43 ILE HA 1.0 1.8 5.0 1084 918 A 45 ASP H A 44 LEU H 1.0 1.8 3.5 1085 919 A 12 GLU H A 13 LYS H 1.0 1.8 3.5 1086 920 A 13 LYS H A 14 LYS H 1.0 1.8 5.0 1087 921 A 24 LEU H A 13 LYS H 1.0 1.8 3.5 1088 922 A 23 TYR HD% A 13 LYS H 1.0 1.8 6.0 1089 923 A 13 LYS H A 14 LYS HA 1.0 1.8 6.0 1090 924 A 11 ILE HA A 13 LYS H 1.0 1.8 5.0 1091 925 A 24 LEU HA A 13 LYS H 1.0 1.8 5.0 1092 926 A 24 LEU HBx A 13 LYS H 1.0 1.8 3.5 1093 927 A 24 LEU HG A 13 LYS H 1.0 1.8 5.0 1094 928 A 13 LYS H A 24 LEU HDx% 1.0 1.8 5.0 1095 929 A 13 LYS H A 24 LEU HDy% 1.0 1.8 5.0 1096 930 A 24 LEU HBy A 13 LYS H 1.0 1.8 5.0 1097 931 A 8 VAL HB A 8 VAL H 1.0 1.8 3.5 1098 932 A 27 TRP HH2 A 8 VAL H 1.0 1.8 5.0 1099 933 A 27 TRP HZ3 A 8 VAL H 1.0 1.8 5.0 1100 934 A 7 ALA H A 8 VAL H 1.0 1.8 5.0 1101 935 A 51 ALA HA A 54 ASN H 1.0 1.8 5.0 1102 936 A 54 ASN HBy A 54 ASN H 1.0 1.8 3.5 1103 937 A 54 ASN H A 53 GLN HBx 1.0 1.8 5.0 1104 938 A 54 ASN H A 55 ARG HBx 1.0 1.8 6.0 1105 938 A 55 ARG HBy A 54 ASN H 1.0 1.8 6.0 1106 939 A 54 ASN H A 56 GLU HBx 1.0 1.8 6.0 1107 939 A 56 GLU HBy A 54 ASN H 1.0 1.8 6.0 1108 940 A 47 ARG H A 50 ILE HD1% 1.0 1.8 5.0 1109 941 A 47 ARG H A 47 ARG HBx 1.0 1.8 3.5 1110 941 A 47 ARG HBy A 47 ARG H 1.0 1.8 3.5 1111 942 A 47 ARG H A 47 ARG HGx 1.0 1.8 3.5 1112 942 A 47 ARG HGy A 47 ARG H 1.0 1.8 3.5 1113 943 A 47 ARG H A 45 ASP HBy 1.0 1.8 6.0 1114 944 A 47 ARG H A 45 ASP HBx 1.0 1.8 6.0 1115 945 A 47 ARG H A 47 ARG HDx 1.0 1.8 5.0 1116 945 A 47 ARG HDy A 47 ARG H 1.0 1.8 5.0 1117 946 A 47 ARG H A 46 PRO HDx 1.0 1.8 3.5 1118 946 A 47 ARG H A 46 PRO HDy 1.0 1.8 3.5 1119 947 A 47 ARG H A 45 ASP HA 1.0 1.8 5.0 1120 948 A 47 ARG H A 48 LEU H 1.0 1.8 3.5 1121 949 A 42 ASN HD2y A 39 PRO HGy 1.0 1.8 5.0 1122 950 A 38 GLU HBx A 42 ASN HD2y 1.0 1.8 6.0 1123 951 A 38 GLU HA A 42 ASN HD2y 1.0 1.8 6.0 1124 952 A 42 ASN HD2x A 39 PRO HGy 1.0 1.8 5.0 1125 953 A 52 PHE HD% A 53 GLN H 1.0 1.8 5.0 1126 954 A 23 TYR HE% A 23 TYR H 1.0 1.8 6.0 1127 955 A 38 GLU HBx A 42 ASN HD2x 1.0 1.8 6.0 1128 956 A 53 GLN H A 55 ARG HBx 1.0 1.8 6.0 1129 956 A 53 GLN H A 55 ARG HBy 1.0 1.8 6.0 1130 957 A 53 GLN H A 56 GLU HBx 1.0 1.8 6.0 1131 957 A 56 GLU HBy A 53 GLN H 1.0 1.8 6.0 1132 958 A 27 TRP H A 30 TRP HD1 1.0 1.8 6.0 1133 959 A 50 ILE H A 49 LEU H 1.0 1.8 3.5 1134 960 A 13 LYS HBy A 13 LYS H 1.0 1.8 5.0 1135 961 A 41 GLU H A 39 PRO HA 1.0 1.8 5.0 1136 962 A 4 HIS H A 3 GLU HBx 1.0 1.8 5.0 1137 962 A 4 HIS H A 3 GLU HBy 1.0 1.8 5.0 1138 963 A 4 HIS HA A 3 GLU HBx 1.0 1.8 5.0 1139 963 A 3 GLU HBy A 4 HIS HA 1.0 1.8 5.0 1140 964 A 4 HIS H A 5 VAL HGy% 1.0 1.8 5.0 1141 964 A 4 HIS H A 5 VAL HGx% 1.0 1.8 5.0 1142 965 A 5 VAL HA A 5 VAL HGy% 1.0 1.8 3.5 1143 965 A 5 VAL HA A 5 VAL HGx% 1.0 1.8 3.5 1144 966 A 5 VAL HA A 6 PHE HBy 1.0 1.8 5.0 1145 966 A 5 VAL HA A 6 PHE HBx 1.0 1.8 5.0 1146 967 A 6 PHE H A 5 VAL HGy% 1.0 1.8 5.0 1147 967 A 6 PHE H A 5 VAL HGx% 1.0 1.8 5.0 1148 968 A 6 PHE HD% A 5 VAL HGy% 1.0 1.8 5.0 1149 968 A 6 PHE HD% A 5 VAL HGx% 1.0 1.8 5.0 1150 969 A 6 PHE H A 6 PHE HBy 1.0 1.8 3.5 1151 969 A 6 PHE H A 6 PHE HBx 1.0 1.8 3.5 1152 970 A 7 ALA H A 6 PHE HBy 1.0 1.8 5.0 1153 970 A 7 ALA H A 6 PHE HBx 1.0 1.8 5.0 1154 971 A 27 TRP HZ3 A 6 PHE HBy 1.0 1.8 5.0 1155 971 A 27 TRP HZ3 A 6 PHE HBx 1.0 1.8 5.0 1156 972 A 7 ALA HA A 8 VAL HGy% 1.0 1.8 5.0 1157 972 A 7 ALA HA A 8 VAL HGx% 1.0 1.8 5.0 1158 973 A 7 ALA HB% A 8 VAL HGy% 1.0 1.8 5.0 1159 973 A 7 ALA HB% A 8 VAL HGx% 1.0 1.8 5.0 1160 974 A 8 VAL H A 8 VAL HGy% 1.0 1.8 3.5 1161 974 A 8 VAL H A 8 VAL HGx% 1.0 1.8 3.5 1162 975 A 9 GLU H A 8 VAL HGy% 1.0 1.8 5.0 1163 975 A 9 GLU H A 8 VAL HGx% 1.0 1.8 5.0 1164 976 A 9 GLU HA A 8 VAL HGy% 1.0 1.8 5.0 1165 976 A 9 GLU HA A 8 VAL HGx% 1.0 1.8 5.0 1166 977 A 8 VAL HGy% A 9 GLU HBx 1.0 1.8 5.0 1167 977 A 8 VAL HGx% A 9 GLU HBx 1.0 1.8 5.0 1168 977 A 9 GLU HBy A 8 VAL HGy% 1.0 1.8 5.0 1169 977 A 9 GLU HBy A 8 VAL HGx% 1.0 1.8 5.0 1170 978 A 10 SER H A 8 VAL HGy% 1.0 1.8 3.5 1171 978 A 10 SER H A 8 VAL HGx% 1.0 1.8 3.5 1172 979 A 10 SER HA A 8 VAL HGy% 1.0 1.8 5.0 1173 979 A 10 SER HA A 8 VAL HGx% 1.0 1.8 5.0 1174 980 A 8 VAL HGy% A 10 SER HBx 1.0 1.8 5.0 1175 980 A 8 VAL HGx% A 10 SER HBx 1.0 1.8 5.0 1176 980 A 10 SER HBy A 8 VAL HGy% 1.0 1.8 5.0 1177 980 A 10 SER HBy A 8 VAL HGx% 1.0 1.8 5.0 1178 981 A 11 ILE HA A 8 VAL HGy% 1.0 1.8 5.0 1179 981 A 11 ILE HA A 8 VAL HGx% 1.0 1.8 5.0 1180 982 A 25 VAL HA A 8 VAL HGy% 1.0 1.8 5.0 1181 982 A 25 VAL HA A 8 VAL HGx% 1.0 1.8 5.0 1182 983 A 25 VAL HB A 8 VAL HGy% 1.0 1.8 3.5 1183 983 A 25 VAL HB A 8 VAL HGx% 1.0 1.8 3.5 1184 984 A 25 VAL HGx% A 8 VAL HGy% 1.0 1.8 3.5 1185 984 A 25 VAL HGx% A 8 VAL HGx% 1.0 1.8 3.5 1186 985 A 25 VAL HGy% A 8 VAL HGy% 1.0 1.8 3.5 1187 985 A 25 VAL HGy% A 8 VAL HGx% 1.0 1.8 3.5 1188 986 A 26 LYS H A 8 VAL HGy% 1.0 1.8 5.0 1189 986 A 26 LYS H A 8 VAL HGx% 1.0 1.8 5.0 1190 987 A 27 TRP HZ3 A 8 VAL HGy% 1.0 1.8 5.0 1191 987 A 27 TRP HZ3 A 8 VAL HGx% 1.0 1.8 5.0 1192 988 A 27 TRP HH2 A 8 VAL HGy% 1.0 1.8 5.0 1193 988 A 27 TRP HH2 A 8 VAL HGx% 1.0 1.8 5.0 1194 989 A 48 LEU HDx% A 8 VAL HGy% 1.0 1.8 3.5 1195 989 A 48 LEU HDx% A 8 VAL HGx% 1.0 1.8 3.5 1196 990 A 10 SER H A 26 LYS HBy 1.0 1.8 5.0 1197 990 A 10 SER H A 26 LYS HBx 1.0 1.8 5.0 1198 991 A 10 SER HBx A 26 LYS HBy 1.0 1.8 5.0 1199 991 A 10 SER HBy A 26 LYS HBy 1.0 1.8 5.0 1200 991 A 26 LYS HBx A 10 SER HBx 1.0 1.8 5.0 1201 991 A 10 SER HBy A 26 LYS HBx 1.0 1.8 5.0 1202 992 A 11 ILE HG1y A 23 TYR HBx 1.0 1.8 5.0 1203 992 A 11 ILE HG1y A 23 TYR HBy 1.0 1.8 5.0 1204 993 A 11 ILE HD1% A 23 TYR HBx 1.0 1.8 5.0 1205 993 A 11 ILE HD1% A 23 TYR HBy 1.0 1.8 5.0 1206 994 A 11 ILE HD1% A 49 LEU HDy% 1.0 1.8 3.5 1207 994 A 11 ILE HD1% A 49 LEU HDx% 1.0 1.8 3.5 1208 995 A 12 GLU H A 24 LEU HDy% 1.0 1.8 5.0 1209 995 A 12 GLU H A 24 LEU HDx% 1.0 1.8 5.0 1210 996 A 12 GLU HA A 24 LEU HDy% 1.0 1.8 6.0 1211 996 A 12 GLU HA A 24 LEU HDx% 1.0 1.8 6.0 1212 997 A 12 GLU HBy A 24 LEU HDy% 1.0 1.8 5.0 1213 997 A 12 GLU HBy A 24 LEU HDx% 1.0 1.8 5.0 1214 998 A 12 GLU HBx A 24 LEU HDy% 1.0 1.8 5.0 1215 998 A 12 GLU HBx A 24 LEU HDx% 1.0 1.8 5.0 1216 999 A 12 GLU HGy A 24 LEU HDy% 1.0 1.8 6.0 1217 999 A 12 GLU HGy A 24 LEU HDx% 1.0 1.8 6.0 1218 1000 A 12 GLU HGx A 24 LEU HDy% 1.0 1.8 5.0 1219 1000 A 12 GLU HGx A 24 LEU HDx% 1.0 1.8 5.0 1220 1001 A 13 LYS H A 24 LEU HDy% 1.0 1.8 5.0 1221 1001 A 13 LYS H A 24 LEU HDx% 1.0 1.8 5.0 1222 1002 A 13 LYS HBy A 24 LEU HDy% 1.0 1.8 5.0 1223 1002 A 13 LYS HBy A 24 LEU HDx% 1.0 1.8 5.0 1224 1003 A 13 LYS HBx A 24 LEU HDy% 1.0 1.8 5.0 1225 1003 A 13 LYS HBx A 24 LEU HDx% 1.0 1.8 5.0 1226 1004 A 13 LYS HEx A 13 LYS HGy 1.0 1.8 3.5 1227 1004 A 13 LYS HEy A 13 LYS HGy 1.0 1.8 3.5 1228 1004 A 13 LYS HGx A 13 LYS HEx 1.0 1.8 3.5 1229 1004 A 13 LYS HEy A 13 LYS HGx 1.0 1.8 3.5 1230 1005 A 14 LYS H A 13 LYS HGy 1.0 1.8 5.0 1231 1005 A 14 LYS H A 13 LYS HGx 1.0 1.8 5.0 1232 1006 A 24 LEU HBy A 13 LYS HGy 1.0 1.8 6.0 1233 1006 A 24 LEU HBy A 13 LYS HGx 1.0 1.8 6.0 1234 1007 A 13 LYS HGx A 24 LEU HDy% 1.0 1.8 5.0 1235 1007 A 13 LYS HGy A 24 LEU HDy% 1.0 1.8 5.0 1236 1007 A 24 LEU HDx% A 13 LYS HGy 1.0 1.8 5.0 1237 1007 A 24 LEU HDx% A 13 LYS HGx 1.0 1.8 5.0 1238 1008 A 37 TRP HH2 A 13 LYS HGy 1.0 1.8 5.0 1239 1008 A 37 TRP HH2 A 13 LYS HGx 1.0 1.8 5.0 1240 1009 A 13 LYS HDy A 24 LEU HDy% 1.0 1.8 5.0 1241 1009 A 13 LYS HDx A 24 LEU HDy% 1.0 1.8 5.0 1242 1009 A 24 LEU HDx% A 13 LYS HDx 1.0 1.8 5.0 1243 1009 A 13 LYS HDy A 24 LEU HDx% 1.0 1.8 5.0 1244 1010 A 13 LYS HEy A 24 LEU HDy% 1.0 1.8 3.5 1245 1010 A 13 LYS HEx A 24 LEU HDy% 1.0 1.8 3.5 1246 1010 A 24 LEU HDx% A 13 LYS HEx 1.0 1.8 3.5 1247 1010 A 13 LYS HEy A 24 LEU HDx% 1.0 1.8 3.5 1248 1011 A 14 LYS H A 14 LYS HBy 1.0 1.8 5.0 1249 1011 A 14 LYS H A 14 LYS HBx 1.0 1.8 5.0 1250 1012 A 14 LYS H A 14 LYS HGx 1.0 1.8 5.0 1251 1012 A 14 LYS H A 14 LYS HGy 1.0 1.8 5.0 1252 1013 A 14 LYS HA A 14 LYS HGx 1.0 1.8 5.0 1253 1013 A 14 LYS HA A 14 LYS HGy 1.0 1.8 5.0 1254 1014 A 15 ARG H A 14 LYS HBy 1.0 1.8 5.0 1255 1014 A 15 ARG H A 14 LYS HBx 1.0 1.8 5.0 1256 1015 A 23 TYR HA A 14 LYS HBy 1.0 1.8 6.0 1257 1015 A 23 TYR HA A 14 LYS HBx 1.0 1.8 6.0 1258 1016 A 23 TYR HD% A 14 LYS HBy 1.0 1.8 5.0 1259 1016 A 23 TYR HD% A 14 LYS HBx 1.0 1.8 5.0 1260 1017 A 23 TYR HE% A 14 LYS HBy 1.0 1.8 5.0 1261 1017 A 23 TYR HE% A 14 LYS HBx 1.0 1.8 5.0 1262 1018 A 52 PHE HA A 14 LYS HBy 1.0 1.8 6.0 1263 1018 A 52 PHE HA A 14 LYS HBx 1.0 1.8 6.0 1264 1019 A 52 PHE HD% A 14 LYS HBy 1.0 1.8 5.0 1265 1019 A 52 PHE HD% A 14 LYS HBx 1.0 1.8 5.0 1266 1020 A 52 PHE HE% A 14 LYS HBy 1.0 1.8 5.0 1267 1020 A 52 PHE HE% A 14 LYS HBx 1.0 1.8 5.0 1268 1021 A 15 ARG H A 14 LYS HGx 1.0 1.8 5.0 1269 1021 A 15 ARG H A 14 LYS HGy 1.0 1.8 5.0 1270 1022 A 23 TYR HE% A 14 LYS HGx 1.0 1.8 5.0 1271 1022 A 23 TYR HE% A 14 LYS HGy 1.0 1.8 5.0 1272 1023 A 15 ARG H A 15 ARG HGx 1.0 1.8 5.0 1273 1023 A 15 ARG H A 15 ARG HGy 1.0 1.8 5.0 1274 1024 A 15 ARG H A 15 ARG HDx 1.0 1.8 5.0 1275 1024 A 15 ARG H A 15 ARG HDy 1.0 1.8 5.0 1276 1025 A 15 ARG HA A 15 ARG HDx 1.0 1.8 5.0 1277 1025 A 15 ARG HA A 15 ARG HDy 1.0 1.8 5.0 1278 1026 A 15 ARG HBy A 15 ARG HDx 1.0 1.8 5.0 1279 1026 A 15 ARG HBy A 15 ARG HDy 1.0 1.8 5.0 1280 1027 A 22 GLU H A 15 ARG HGx 1.0 1.8 5.0 1281 1027 A 22 GLU H A 15 ARG HGy 1.0 1.8 5.0 1282 1028 A 15 ARG HGx A 22 GLU HBx 1.0 1.8 5.0 1283 1028 A 15 ARG HGy A 22 GLU HBx 1.0 1.8 5.0 1284 1028 A 22 GLU HBy A 15 ARG HGx 1.0 1.8 5.0 1285 1028 A 15 ARG HGy A 22 GLU HBy 1.0 1.8 5.0 1286 1029 A 15 ARG HGx A 22 GLU HGy 1.0 1.8 5.0 1287 1029 A 15 ARG HGy A 22 GLU HGy 1.0 1.8 5.0 1288 1029 A 22 GLU HGx A 15 ARG HGx 1.0 1.8 5.0 1289 1029 A 15 ARG HGy A 22 GLU HGx 1.0 1.8 5.0 1290 1030 A 23 TYR HD% A 15 ARG HGx 1.0 1.8 6.0 1291 1030 A 23 TYR HD% A 15 ARG HGy 1.0 1.8 6.0 1292 1031 A 22 GLU H A 15 ARG HDx 1.0 1.8 5.0 1293 1031 A 22 GLU H A 15 ARG HDy 1.0 1.8 5.0 1294 1032 A 15 ARG HDx A 22 GLU HBx 1.0 1.8 5.0 1295 1032 A 22 GLU HBy A 15 ARG HDx 1.0 1.8 5.0 1296 1032 A 15 ARG HDy A 22 GLU HBy 1.0 1.8 5.0 1297 1032 A 15 ARG HDy A 22 GLU HBx 1.0 1.8 5.0 1298 1033 A 15 ARG HDy A 22 GLU HGy 1.0 1.8 6.0 1299 1033 A 15 ARG HDx A 22 GLU HGy 1.0 1.8 6.0 1300 1033 A 22 GLU HGx A 15 ARG HDx 1.0 1.8 6.0 1301 1033 A 15 ARG HDy A 22 GLU HGx 1.0 1.8 6.0 1302 1034 A 23 TYR HD% A 15 ARG HDx 1.0 1.8 5.0 1303 1034 A 23 TYR HD% A 15 ARG HDy 1.0 1.8 5.0 1304 1035 A 23 TYR HE% A 15 ARG HDx 1.0 1.8 6.0 1305 1035 A 23 TYR HE% A 15 ARG HDy 1.0 1.8 6.0 1306 1036 A 37 TRP HH2 A 15 ARG HDx 1.0 1.8 5.0 1307 1036 A 37 TRP HH2 A 15 ARG HDy 1.0 1.8 5.0 1308 1037 A 17 ARG H A 17 ARG HGx 1.0 1.8 6.0 1309 1037 A 17 ARG H A 17 ARG HGy 1.0 1.8 6.0 1310 1038 A 17 ARG H A 17 ARG HDx 1.0 1.8 6.0 1311 1038 A 17 ARG H A 17 ARG HDy 1.0 1.8 6.0 1312 1039 A 17 ARG HA A 17 ARG HGx 1.0 1.8 3.5 1313 1039 A 17 ARG HA A 17 ARG HGy 1.0 1.8 3.5 1314 1040 A 17 ARG HA A 17 ARG HDx 1.0 1.8 5.0 1315 1040 A 17 ARG HA A 17 ARG HDy 1.0 1.8 5.0 1316 1041 A 17 ARG HBx A 17 ARG HDx 1.0 1.8 3.5 1317 1041 A 17 ARG HBy A 17 ARG HDx 1.0 1.8 3.5 1318 1041 A 17 ARG HDy A 17 ARG HBx 1.0 1.8 3.5 1319 1041 A 17 ARG HDy A 17 ARG HBy 1.0 1.8 3.5 1320 1042 A 18 LYS HBy A 18 LYS HEx 1.0 1.8 5.0 1321 1042 A 18 LYS HBx A 18 LYS HEx 1.0 1.8 5.0 1322 1042 A 18 LYS HEy A 18 LYS HBy 1.0 1.8 5.0 1323 1042 A 18 LYS HEy A 18 LYS HBx 1.0 1.8 5.0 1324 1043 A 19 GLY H A 18 LYS HBy 1.0 1.8 5.0 1325 1043 A 19 GLY H A 18 LYS HBx 1.0 1.8 5.0 1326 1044 A 19 GLY HAx A 18 LYS HBy 1.0 1.8 6.0 1327 1044 A 19 GLY HAx A 18 LYS HBx 1.0 1.8 6.0 1328 1045 A 21 VAL HB A 40 GLU HBx 1.0 1.8 5.0 1329 1045 A 21 VAL HB A 40 GLU HBy 1.0 1.8 5.0 1330 1046 A 21 VAL HGy% A 40 GLU HBx 1.0 1.8 5.0 1331 1046 A 21 VAL HGy% A 40 GLU HBy 1.0 1.8 5.0 1332 1047 A 22 GLU H A 22 GLU HBx 1.0 1.8 3.5 1333 1047 A 22 GLU H A 22 GLU HBy 1.0 1.8 3.5 1334 1048 A 22 GLU H A 22 GLU HGy 1.0 1.8 5.0 1335 1048 A 22 GLU H A 22 GLU HGx 1.0 1.8 5.0 1336 1049 A 23 TYR H A 22 GLU HBx 1.0 1.8 5.0 1337 1049 A 23 TYR H A 22 GLU HBy 1.0 1.8 5.0 1338 1050 A 23 TYR HA A 22 GLU HBx 1.0 1.8 5.0 1339 1050 A 23 TYR HA A 22 GLU HBy 1.0 1.8 5.0 1340 1051 A 37 TRP HBy A 22 GLU HBx 1.0 1.8 6.0 1341 1051 A 37 TRP HBy A 22 GLU HBy 1.0 1.8 6.0 1342 1052 A 37 TRP HBx A 22 GLU HBx 1.0 1.8 5.0 1343 1052 A 37 TRP HBx A 22 GLU HBy 1.0 1.8 5.0 1344 1053 A 37 TRP HZ3 A 22 GLU HBx 1.0 1.8 5.0 1345 1053 A 37 TRP HZ3 A 22 GLU HBy 1.0 1.8 5.0 1346 1054 A 38 GLU H A 22 GLU HBx 1.0 1.8 5.0 1347 1054 A 38 GLU H A 22 GLU HBy 1.0 1.8 5.0 1348 1055 A 23 TYR H A 22 GLU HGy 1.0 1.8 5.0 1349 1055 A 23 TYR H A 22 GLU HGx 1.0 1.8 5.0 1350 1056 A 23 TYR HA A 22 GLU HGy 1.0 1.8 6.0 1351 1056 A 23 TYR HA A 22 GLU HGx 1.0 1.8 6.0 1352 1057 A 23 TYR HD% A 22 GLU HGy 1.0 1.8 6.0 1353 1057 A 23 TYR HD% A 22 GLU HGx 1.0 1.8 6.0 1354 1058 A 37 TRP HBx A 22 GLU HGy 1.0 1.8 6.0 1355 1058 A 37 TRP HBx A 22 GLU HGx 1.0 1.8 6.0 1356 1059 A 23 TYR H A 23 TYR HBx 1.0 1.8 5.0 1357 1059 A 23 TYR H A 23 TYR HBy 1.0 1.8 5.0 1358 1060 A 24 LEU H A 23 TYR HBx 1.0 1.8 5.0 1359 1060 A 24 LEU H A 23 TYR HBy 1.0 1.8 5.0 1360 1061 A 25 VAL HGx% A 23 TYR HBx 1.0 1.8 5.0 1361 1061 A 25 VAL HGx% A 23 TYR HBy 1.0 1.8 5.0 1362 1062 A 43 ILE HG1x A 23 TYR HBx 1.0 1.8 5.0 1363 1062 A 43 ILE HG1x A 23 TYR HBy 1.0 1.8 5.0 1364 1063 A 52 PHE HD% A 23 TYR HBx 1.0 1.8 6.0 1365 1063 A 52 PHE HD% A 23 TYR HBy 1.0 1.8 6.0 1366 1064 A 23 TYR HD% A 49 LEU HDy% 1.0 1.8 5.0 1367 1064 A 23 TYR HD% A 49 LEU HDx% 1.0 1.8 5.0 1368 1065 A 23 TYR HE% A 40 GLU HBx 1.0 1.8 3.5 1369 1065 A 23 TYR HE% A 40 GLU HBy 1.0 1.8 3.5 1370 1066 A 23 TYR HE% A 49 LEU HDy% 1.0 1.8 5.0 1371 1066 A 23 TYR HE% A 49 LEU HDx% 1.0 1.8 5.0 1372 1067 A 24 LEU H A 24 LEU HDy% 1.0 1.8 5.0 1373 1067 A 24 LEU H A 24 LEU HDx% 1.0 1.8 5.0 1374 1068 A 24 LEU HA A 24 LEU HDy% 1.0 1.8 3.5 1375 1068 A 24 LEU HA A 24 LEU HDx% 1.0 1.8 3.5 1376 1069 A 24 LEU HG A 35 ASN HBx 1.0 1.8 5.0 1377 1069 A 24 LEU HG A 35 ASN HBy 1.0 1.8 5.0 1378 1070 A 25 VAL H A 24 LEU HDy% 1.0 1.8 5.0 1379 1070 A 25 VAL H A 24 LEU HDx% 1.0 1.8 5.0 1380 1071 A 35 ASN H A 24 LEU HDy% 1.0 1.8 6.0 1381 1071 A 35 ASN H A 24 LEU HDx% 1.0 1.8 6.0 1382 1072 A 35 ASN HA A 24 LEU HDy% 1.0 1.8 5.0 1383 1072 A 35 ASN HA A 24 LEU HDx% 1.0 1.8 5.0 1384 1073 A 24 LEU HDy% A 35 ASN HBx 1.0 1.8 3.5 1385 1073 A 24 LEU HDx% A 35 ASN HBx 1.0 1.8 3.5 1386 1073 A 35 ASN HBy A 24 LEU HDy% 1.0 1.8 3.5 1387 1073 A 24 LEU HDx% A 35 ASN HBy 1.0 1.8 3.5 1388 1074 A 36 THR H A 24 LEU HDy% 1.0 1.8 5.0 1389 1074 A 36 THR H A 24 LEU HDx% 1.0 1.8 5.0 1390 1075 A 37 TRP H A 24 LEU HDy% 1.0 1.8 5.0 1391 1075 A 37 TRP H A 24 LEU HDx% 1.0 1.8 5.0 1392 1076 A 37 TRP HA A 24 LEU HDy% 1.0 1.8 5.0 1393 1076 A 37 TRP HA A 24 LEU HDx% 1.0 1.8 5.0 1394 1077 A 37 TRP HD1 A 24 LEU HDy% 1.0 1.8 5.0 1395 1077 A 37 TRP HD1 A 24 LEU HDx% 1.0 1.8 5.0 1396 1078 A 37 TRP HE1 A 24 LEU HDy% 1.0 1.8 5.0 1397 1078 A 37 TRP HE1 A 24 LEU HDx% 1.0 1.8 5.0 1398 1079 A 37 TRP HZ3 A 24 LEU HDy% 1.0 1.8 5.0 1399 1079 A 37 TRP HZ3 A 24 LEU HDx% 1.0 1.8 5.0 1400 1080 A 37 TRP HZ2 A 24 LEU HDy% 1.0 1.8 5.0 1401 1080 A 37 TRP HZ2 A 24 LEU HDx% 1.0 1.8 5.0 1402 1081 A 38 GLU H A 24 LEU HDy% 1.0 1.8 6.0 1403 1081 A 38 GLU H A 24 LEU HDx% 1.0 1.8 6.0 1404 1082 A 25 VAL H A 35 ASN HBx 1.0 1.8 5.0 1405 1082 A 25 VAL H A 35 ASN HBy 1.0 1.8 5.0 1406 1083 A 25 VAL H A 38 GLU HGy 1.0 1.8 6.0 1407 1083 A 25 VAL H A 38 GLU HGx 1.0 1.8 6.0 1408 1084 A 25 VAL HA A 26 LYS HBy 1.0 1.8 5.0 1409 1084 A 25 VAL HA A 26 LYS HBx 1.0 1.8 5.0 1410 1085 A 25 VAL HGx% A 38 GLU HGy 1.0 1.8 5.0 1411 1085 A 25 VAL HGx% A 38 GLU HGx 1.0 1.8 5.0 1412 1086 A 25 VAL HGy% A 35 ASN HBx 1.0 1.8 5.0 1413 1086 A 25 VAL HGy% A 35 ASN HBy 1.0 1.8 5.0 1414 1087 A 25 VAL HGy% A 38 GLU HGy 1.0 1.8 5.0 1415 1087 A 25 VAL HGy% A 38 GLU HGx 1.0 1.8 5.0 1416 1088 A 26 LYS H A 26 LYS HBy 1.0 1.8 3.5 1417 1088 A 26 LYS H A 26 LYS HBx 1.0 1.8 3.5 1418 1089 A 26 LYS HA A 26 LYS HDx 1.0 1.8 5.0 1419 1089 A 26 LYS HA A 26 LYS HDy 1.0 1.8 5.0 1420 1090 A 27 TRP H A 26 LYS HDx 1.0 1.8 5.0 1421 1090 A 27 TRP H A 26 LYS HDy 1.0 1.8 5.0 1422 1091 A 26 LYS HEy A 32 PRO HGy 1.0 1.8 5.0 1423 1091 A 26 LYS HEx A 32 PRO HGy 1.0 1.8 5.0 1424 1091 A 32 PRO HGx A 26 LYS HEy 1.0 1.8 5.0 1425 1091 A 26 LYS HEx A 32 PRO HGx 1.0 1.8 5.0 1426 1092 A 26 LYS HEx A 32 PRO HDy 1.0 1.8 5.0 1427 1092 A 26 LYS HEy A 32 PRO HDy 1.0 1.8 5.0 1428 1092 A 32 PRO HDx A 26 LYS HEy 1.0 1.8 5.0 1429 1092 A 26 LYS HEx A 32 PRO HDx 1.0 1.8 5.0 1430 1093 A 27 TRP HZ2 A 38 GLU HGy 1.0 1.8 6.0 1431 1093 A 27 TRP HZ2 A 38 GLU HGx 1.0 1.8 6.0 1432 1094 A 28 ARG H A 28 ARG HBx 1.0 1.8 3.5 1433 1094 A 28 ARG H A 28 ARG HBy 1.0 1.8 3.5 1434 1095 A 28 ARG HA A 29 GLY HAy 1.0 1.8 5.0 1435 1095 A 28 ARG HA A 29 GLY HAx 1.0 1.8 5.0 1436 1096 A 29 GLY H A 28 ARG HBx 1.0 1.8 5.0 1437 1096 A 29 GLY H A 28 ARG HBy 1.0 1.8 5.0 1438 1097 A 30 TRP H A 28 ARG HBx 1.0 1.8 5.0 1439 1097 A 30 TRP H A 28 ARG HBy 1.0 1.8 5.0 1440 1098 A 31 SER H A 31 SER HBx 1.0 1.8 3.5 1441 1098 A 31 SER H A 31 SER HBy 1.0 1.8 3.5 1442 1099 A 31 SER HA A 32 PRO HDy 1.0 1.8 3.5 1443 1099 A 31 SER HA A 32 PRO HDx 1.0 1.8 3.5 1444 1100 A 31 SER HBy A 32 PRO HGy 1.0 1.8 5.0 1445 1100 A 31 SER HBx A 32 PRO HGy 1.0 1.8 5.0 1446 1100 A 32 PRO HGx A 31 SER HBx 1.0 1.8 5.0 1447 1100 A 32 PRO HGx A 31 SER HBy 1.0 1.8 5.0 1448 1101 A 31 SER HBy A 32 PRO HDy 1.0 1.8 3.5 1449 1101 A 32 PRO HDx A 31 SER HBx 1.0 1.8 3.5 1450 1101 A 32 PRO HDx A 31 SER HBy 1.0 1.8 3.5 1451 1101 A 31 SER HBx A 32 PRO HDy 1.0 1.8 3.5 1452 1102 A 33 LYS H A 31 SER HBx 1.0 1.8 5.0 1453 1102 A 33 LYS H A 31 SER HBy 1.0 1.8 5.0 1454 1103 A 31 SER HBy A 33 LYS HDx 1.0 1.8 5.0 1455 1103 A 33 LYS HDy A 31 SER HBx 1.0 1.8 5.0 1456 1103 A 33 LYS HDy A 31 SER HBy 1.0 1.8 5.0 1457 1103 A 31 SER HBx A 33 LYS HDx 1.0 1.8 5.0 1458 1104 A 34 TYR HD% A 31 SER HBx 1.0 1.8 5.0 1459 1104 A 34 TYR HD% A 31 SER HBy 1.0 1.8 5.0 1460 1105 A 34 TYR HE% A 31 SER HBx 1.0 1.8 5.0 1461 1105 A 34 TYR HE% A 31 SER HBy 1.0 1.8 5.0 1462 1106 A 33 LYS HA A 32 PRO HBy 1.0 1.8 6.0 1463 1106 A 33 LYS HA A 32 PRO HBx 1.0 1.8 6.0 1464 1107 A 33 LYS H A 32 PRO HGy 1.0 1.8 6.0 1465 1107 A 33 LYS H A 32 PRO HGx 1.0 1.8 6.0 1466 1108 A 33 LYS HBx A 33 LYS HEx 1.0 1.8 5.0 1467 1108 A 33 LYS HBy A 33 LYS HEx 1.0 1.8 5.0 1468 1108 A 33 LYS HEy A 33 LYS HBy 1.0 1.8 5.0 1469 1108 A 33 LYS HEy A 33 LYS HBx 1.0 1.8 5.0 1470 1109 A 34 TYR H A 33 LYS HBy 1.0 1.8 5.0 1471 1109 A 34 TYR H A 33 LYS HBx 1.0 1.8 5.0 1472 1110 A 34 TYR HD% A 33 LYS HBy 1.0 1.8 5.0 1473 1110 A 34 TYR HD% A 33 LYS HBx 1.0 1.8 5.0 1474 1111 A 35 ASN H A 35 ASN HBx 1.0 1.8 3.5 1475 1111 A 35 ASN H A 35 ASN HBy 1.0 1.8 3.5 1476 1112 A 36 THR H A 35 ASN HBx 1.0 1.8 3.5 1477 1112 A 36 THR H A 35 ASN HBy 1.0 1.8 3.5 1478 1113 A 38 GLU H A 38 GLU HGy 1.0 1.8 5.0 1479 1113 A 38 GLU H A 38 GLU HGx 1.0 1.8 5.0 1480 1114 A 38 GLU HA A 38 GLU HGy 1.0 1.8 5.0 1481 1114 A 38 GLU HA A 38 GLU HGx 1.0 1.8 5.0 1482 1115 A 38 GLU HA A 42 ASN HBx 1.0 1.8 5.0 1483 1115 A 38 GLU HA A 42 ASN HBy 1.0 1.8 5.0 1484 1116 A 38 GLU HA A 42 ASN HD2y 1.0 1.8 5.0 1485 1116 A 38 GLU HA A 42 ASN HD2x 1.0 1.8 5.0 1486 1117 A 38 GLU HBy A 42 ASN HBx 1.0 1.8 5.0 1487 1117 A 38 GLU HBy A 42 ASN HBy 1.0 1.8 5.0 1488 1118 A 42 ASN HD2x A 38 GLU HBy 1.0 1.8 5.0 1489 1118 A 42 ASN HD2y A 38 GLU HBy 1.0 1.8 5.0 1490 1119 A 38 GLU HBx A 42 ASN HBx 1.0 1.8 5.0 1491 1119 A 38 GLU HBx A 42 ASN HBy 1.0 1.8 5.0 1492 1120 A 38 GLU HBx A 42 ASN HD2x 1.0 1.8 5.0 1493 1120 A 38 GLU HBx A 42 ASN HD2y 1.0 1.8 5.0 1494 1121 A 39 PRO HDx A 38 GLU HGy 1.0 1.8 5.0 1495 1121 A 39 PRO HDx A 38 GLU HGx 1.0 1.8 5.0 1496 1122 A 38 GLU HGy A 42 ASN HBx 1.0 1.8 5.0 1497 1122 A 38 GLU HGx A 42 ASN HBx 1.0 1.8 5.0 1498 1122 A 42 ASN HBy A 38 GLU HGy 1.0 1.8 5.0 1499 1122 A 38 GLU HGx A 42 ASN HBy 1.0 1.8 5.0 1500 1123 A 42 ASN HD2y A 38 GLU HGy 1.0 1.8 5.0 1501 1123 A 42 ASN HD2y A 38 GLU HGx 1.0 1.8 5.0 1502 1123 A 42 ASN HD2x A 38 GLU HGy 1.0 1.8 5.0 1503 1123 A 42 ASN HD2x A 38 GLU HGx 1.0 1.8 5.0 1504 1124 A 43 ILE HD1% A 38 GLU HGy 1.0 1.8 5.0 1505 1124 A 43 ILE HD1% A 38 GLU HGx 1.0 1.8 5.0 1506 1125 A 39 PRO HGy A 42 ASN HBx 1.0 1.8 5.0 1507 1125 A 39 PRO HGy A 42 ASN HBy 1.0 1.8 5.0 1508 1126 A 39 PRO HDx A 42 ASN HBx 1.0 1.8 5.0 1509 1126 A 39 PRO HDx A 42 ASN HBy 1.0 1.8 5.0 1510 1127 A 39 PRO HDx A 42 ASN HD2x 1.0 1.8 5.0 1511 1127 A 39 PRO HDx A 42 ASN HD2y 1.0 1.8 5.0 1512 1128 A 39 PRO HDy A 42 ASN HD2x 1.0 1.8 5.0 1513 1128 A 39 PRO HDy A 42 ASN HD2y 1.0 1.8 5.0 1514 1129 A 40 GLU H A 40 GLU HBx 1.0 1.8 3.5 1515 1129 A 40 GLU H A 40 GLU HBy 1.0 1.8 3.5 1516 1130 A 40 GLU HGx A 49 LEU HDy% 1.0 1.8 6.0 1517 1130 A 40 GLU HGy A 49 LEU HDy% 1.0 1.8 6.0 1518 1130 A 49 LEU HDx% A 40 GLU HGx 1.0 1.8 6.0 1519 1130 A 40 GLU HGy A 49 LEU HDx% 1.0 1.8 6.0 1520 1131 A 41 GLU HA A 44 LEU HDy% 1.0 1.8 5.0 1521 1131 A 41 GLU HA A 44 LEU HDx% 1.0 1.8 5.0 1522 1132 A 42 ASN HD2y A 41 GLU HGx 1.0 1.8 5.0 1523 1132 A 41 GLU HGy A 42 ASN HD2x 1.0 1.8 5.0 1524 1132 A 42 ASN HD2x A 41 GLU HGx 1.0 1.8 5.0 1525 1132 A 41 GLU HGy A 42 ASN HD2y 1.0 1.8 5.0 1526 1133 A 42 ASN H A 42 ASN HBx 1.0 1.8 3.5 1527 1133 A 42 ASN H A 42 ASN HBy 1.0 1.8 3.5 1528 1134 A 42 ASN H A 42 ASN HD2x 1.0 1.8 6.0 1529 1134 A 42 ASN H A 42 ASN HD2y 1.0 1.8 6.0 1530 1135 A 42 ASN HD2y A 42 ASN HBy 1.0 1.8 3.5 1531 1135 A 42 ASN HD2y A 42 ASN HBx 1.0 1.8 3.5 1532 1135 A 42 ASN HD2x A 42 ASN HBx 1.0 1.8 3.5 1533 1135 A 42 ASN HD2x A 42 ASN HBy 1.0 1.8 3.5 1534 1136 A 43 ILE H A 42 ASN HBx 1.0 1.8 5.0 1535 1136 A 43 ILE H A 42 ASN HBy 1.0 1.8 5.0 1536 1137 A 43 ILE HA A 42 ASN HBx 1.0 1.8 6.0 1537 1137 A 43 ILE HA A 42 ASN HBy 1.0 1.8 6.0 1538 1138 A 43 ILE HD1% A 42 ASN HBx 1.0 1.8 5.0 1539 1138 A 43 ILE HD1% A 42 ASN HBy 1.0 1.8 5.0 1540 1139 A 43 ILE HD1% A 42 ASN HD2x 1.0 1.8 6.0 1541 1139 A 43 ILE HD1% A 42 ASN HD2y 1.0 1.8 6.0 1542 1140 A 43 ILE H A 44 LEU HDy% 1.0 1.8 5.0 1543 1140 A 43 ILE H A 44 LEU HDx% 1.0 1.8 5.0 1544 1141 A 43 ILE HB A 49 LEU HDy% 1.0 1.8 5.0 1545 1141 A 43 ILE HB A 49 LEU HDx% 1.0 1.8 5.0 1546 1142 A 43 ILE HG1x A 49 LEU HDy% 1.0 1.8 5.0 1547 1142 A 43 ILE HG1x A 49 LEU HDx% 1.0 1.8 5.0 1548 1143 A 44 LEU HA A 44 LEU HDy% 1.0 1.8 3.5 1549 1143 A 44 LEU HA A 44 LEU HDx% 1.0 1.8 3.5 1550 1144 A 44 LEU HBy A 44 LEU HDy% 1.0 1.8 3.5 1551 1144 A 44 LEU HBy A 44 LEU HDx% 1.0 1.8 3.5 1552 1145 A 45 ASP H A 44 LEU HDy% 1.0 1.8 5.0 1553 1145 A 45 ASP H A 44 LEU HDx% 1.0 1.8 5.0 1554 1146 A 46 PRO HA A 49 LEU HDy% 1.0 1.8 5.0 1555 1146 A 46 PRO HA A 49 LEU HDx% 1.0 1.8 5.0 1556 1147 A 46 PRO HA A 50 ILE HG1x 1.0 1.8 6.0 1557 1147 A 46 PRO HA A 50 ILE HG1y 1.0 1.8 6.0 1558 1148 A 47 ARG HA A 46 PRO HBy 1.0 1.8 6.0 1559 1148 A 47 ARG HA A 46 PRO HBx 1.0 1.8 6.0 1560 1149 A 46 PRO HBy A 49 LEU HDy% 1.0 1.8 5.0 1561 1149 A 46 PRO HBx A 49 LEU HDy% 1.0 1.8 5.0 1562 1149 A 49 LEU HDx% A 46 PRO HBy 1.0 1.8 5.0 1563 1149 A 49 LEU HDx% A 46 PRO HBx 1.0 1.8 5.0 1564 1150 A 50 ILE HD1% A 46 PRO HBy 1.0 1.8 6.0 1565 1150 A 50 ILE HD1% A 46 PRO HBx 1.0 1.8 6.0 1566 1151 A 46 PRO HDy A 49 LEU HDy% 1.0 1.8 5.0 1567 1151 A 46 PRO HDx A 49 LEU HDy% 1.0 1.8 5.0 1568 1151 A 49 LEU HDx% A 46 PRO HDx 1.0 1.8 5.0 1569 1151 A 46 PRO HDy A 49 LEU HDx% 1.0 1.8 5.0 1570 1152 A 48 LEU HBy A 49 LEU HDy% 1.0 1.8 5.0 1571 1152 A 48 LEU HBy A 49 LEU HDx% 1.0 1.8 5.0 1572 1153 A 49 LEU H A 49 LEU HDy% 1.0 1.8 5.0 1573 1153 A 49 LEU H A 49 LEU HDx% 1.0 1.8 5.0 1574 1154 A 49 LEU H A 50 ILE HG1x 1.0 1.8 5.0 1575 1154 A 49 LEU H A 50 ILE HG1y 1.0 1.8 5.0 1576 1155 A 49 LEU HA A 49 LEU HDy% 1.0 1.8 3.5 1577 1155 A 49 LEU HA A 49 LEU HDx% 1.0 1.8 3.5 1578 1156 A 49 LEU HBy A 49 LEU HDy% 1.0 1.8 3.5 1579 1156 A 49 LEU HBy A 49 LEU HDx% 1.0 1.8 3.5 1580 1157 A 49 LEU HBx A 49 LEU HDy% 1.0 1.8 3.5 1581 1157 A 49 LEU HBx A 49 LEU HDx% 1.0 1.8 3.5 1582 1158 A 50 ILE H A 49 LEU HDy% 1.0 1.8 5.0 1583 1158 A 50 ILE H A 49 LEU HDx% 1.0 1.8 5.0 1584 1159 A 51 ALA H A 49 LEU HDy% 1.0 1.8 6.0 1585 1159 A 51 ALA H A 49 LEU HDx% 1.0 1.8 6.0 1586 1160 A 52 PHE HBx A 49 LEU HDy% 1.0 1.8 5.0 1587 1160 A 52 PHE HBx A 49 LEU HDx% 1.0 1.8 5.0 1588 1161 A 52 PHE HD% A 49 LEU HDy% 1.0 1.8 5.0 1589 1161 A 52 PHE HD% A 49 LEU HDx% 1.0 1.8 5.0 1590 1162 A 50 ILE H A 50 ILE HG1x 1.0 1.8 3.5 1591 1162 A 50 ILE H A 50 ILE HG1y 1.0 1.8 3.5 1592 1163 A 50 ILE H A 53 GLN HBx 1.0 1.8 6.0 1593 1163 A 50 ILE H A 53 GLN HBy 1.0 1.8 6.0 1594 1164 A 50 ILE HA A 50 ILE HG1x 1.0 1.8 3.5 1595 1164 A 50 ILE HA A 50 ILE HG1y 1.0 1.8 3.5 1596 1165 A 50 ILE HA A 53 GLN HBx 1.0 1.8 3.5 1597 1165 A 50 ILE HA A 53 GLN HBy 1.0 1.8 3.5 1598 1166 A 50 ILE HG2% A 50 ILE HG1x 1.0 1.8 3.5 1599 1166 A 50 ILE HG2% A 50 ILE HG1y 1.0 1.8 3.5 1600 1167 A 51 ALA H A 53 GLN HBx 1.0 1.8 6.0 1601 1167 A 51 ALA H A 53 GLN HBy 1.0 1.8 6.0 1602 1168 A 51 ALA HA A 54 ASN HD2x 1.0 1.8 5.0 1603 1168 A 51 ALA HA A 54 ASN HD2y 1.0 1.8 5.0 1604 1169 A 52 PHE HA A 55 ARG HGx 1.0 1.8 6.0 1605 1169 A 52 PHE HA A 55 ARG HGy 1.0 1.8 6.0 1606 1170 A 52 PHE HD% A 56 GLU HGy 1.0 1.8 5.0 1607 1170 A 52 PHE HD% A 56 GLU HGx 1.0 1.8 5.0 1608 1171 A 53 GLN H A 53 GLN HBx 1.0 1.8 3.5 1609 1171 A 53 GLN H A 53 GLN HBy 1.0 1.8 3.5 1610 1172 A 53 GLN H A 53 GLN HGy 1.0 1.8 3.5 1611 1172 A 53 GLN H A 53 GLN HGx 1.0 1.8 3.5 1612 1173 A 53 GLN HA A 53 GLN HGy 1.0 1.8 3.5 1613 1173 A 53 GLN HA A 53 GLN HGx 1.0 1.8 3.5 1614 1174 A 53 GLN HA A 53 GLN HE2y 1.0 1.8 6.0 1615 1174 A 53 GLN HA A 53 GLN HE2x 1.0 1.8 6.0 1616 1175 A 54 ASN H A 53 GLN HBx 1.0 1.8 5.0 1617 1175 A 54 ASN H A 53 GLN HBy 1.0 1.8 5.0 1618 1176 A 54 ASN H A 54 ASN HD2x 1.0 1.8 6.0 1619 1176 A 54 ASN H A 54 ASN HD2y 1.0 1.8 6.0 1620 1177 A 54 ASN HA A 57 ARG HBx 1.0 1.8 5.0 1621 1177 A 54 ASN HA A 57 ARG HBy 1.0 1.8 5.0 1622 1178 A 55 ARG H A 55 ARG HGx 1.0 1.8 5.0 1623 1178 A 55 ARG H A 55 ARG HGy 1.0 1.8 5.0 1624 1179 A 55 ARG HA A 55 ARG HGx 1.0 1.8 3.5 1625 1179 A 55 ARG HA A 55 ARG HGy 1.0 1.8 3.5 1626 1180 A 55 ARG HA A 58 GLN HBy 1.0 1.8 5.0 1627 1180 A 55 ARG HA A 58 GLN HBx 1.0 1.8 5.0 1628 1181 A 56 GLU H A 56 GLU HGy 1.0 1.8 3.5 1629 1181 A 56 GLU H A 56 GLU HGx 1.0 1.8 3.5 1630 1182 A 56 GLU HA A 56 GLU HGy 1.0 1.8 3.5 1631 1182 A 56 GLU HGx A 56 GLU HA 1.0 1.8 3.5 1632 1183 A 57 ARG H A 57 ARG HGx 1.0 1.8 5.0 1633 1183 A 57 ARG H A 57 ARG HGy 1.0 1.8 5.0 1634 1184 A 57 ARG HBx A 57 ARG HDx 1.0 1.8 3.5 1635 1184 A 57 ARG HBy A 57 ARG HDx 1.0 1.8 3.5 1636 1184 A 57 ARG HDy A 57 ARG HBx 1.0 1.8 3.5 1637 1184 A 57 ARG HDy A 57 ARG HBy 1.0 1.8 3.5 1638 1185 A 59 GLU H A 58 GLN HBy 1.0 1.8 5.0 1639 1185 A 58 GLN HBx A 59 GLU H 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 4 HIS C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -145.9 -74.9 PHI 2 2 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 PHE N 1.0 111.4 138.8 PSI 3 3 A 5 VAL C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -148.1 -59.8 PHI 4 4 A 6 PHE N A 6 PHE CA A 6 PHE C A 7 ALA N 1.0 85.9 160.3 PSI 5 5 A 7 ALA C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -97.3 -55.2 PHI 6 6 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 GLU N 1.0 124.6 148.9 PSI 7 7 A 12 GLU C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -175.0 -119.8 PHI 8 8 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 LYS N 1.0 122.3 179.4 PSI 9 9 A 13 LYS C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -155.0 -79.0 PHI 10 10 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 ARG N 1.0 105.0 169.0 PSI 11 11 A 14 LYS C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -193.6 -82.3 PHI 12 12 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 ILE N 1.0 112.3 184.3 PSI 13 13 A 15 ARG C A 16 ILE N A 16 ILE CA A 16 ILE C 1.0 -143.6 -80.0 PHI 14 14 A 16 ILE N A 16 ILE CA A 16 ILE C A 17 ARG N 1.0 111.4 148.1 PSI 15 15 A 16 ILE C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -178.0 -58.0 PHI 16 16 A 17 ARG N A 17 ARG CA A 17 ARG C A 18 LYS N 1.0 98.0 170.0 PSI 17 17 A 17 ARG C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 42.0 66.0 PHI 18 18 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 GLY N 1.0 27.0 51.0 PSI 19 19 A 18 LYS C A 19 GLY N A 19 GLY CA A 19 GLY C 1.0 60.0 100.0 PHI 20 20 A 19 GLY N A 19 GLY CA A 19 GLY C A 20 ARG N 1.0 -28.0 24.0 PSI 21 21 A 19 GLY C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -137.0 -81.0 PHI 22 22 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 VAL N 1.0 106.0 162.0 PSI 23 23 A 20 ARG C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -123.2 -63.1 PHI 24 24 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 GLU N 1.0 110.7 149.7 PSI 25 25 A 21 VAL C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -165.1 -95.6 PHI 26 26 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 TYR N 1.0 139.9 180.7 PSI 27 27 A 22 GLU C A 23 TYR N A 23 TYR CA A 23 TYR C 1.0 -176.8 -78.2 PHI 28 28 A 23 TYR N A 23 TYR CA A 23 TYR C A 24 LEU N 1.0 104.4 161.0 PSI 29 29 A 23 TYR C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -144.1 -50.7 PHI 30 30 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 VAL N 1.0 108.3 146.3 PSI 31 31 A 24 LEU C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -165.3 -87.2 PHI 32 32 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 LYS N 1.0 106.7 185.6 PSI 33 33 A 25 VAL C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -163.2 -74.3 PHI 34 34 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 TRP N 1.0 87.0 163.7 PSI 35 35 A 26 LYS C A 27 TRP N A 27 TRP CA A 27 TRP C 1.0 -152.0 -41.3 PHI 36 36 A 27 TRP N A 27 TRP CA A 27 TRP C A 28 ARG N 1.0 94.2 152.6 PSI 37 37 A 27 TRP C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -160.0 -4.0 PHI 38 38 A 28 ARG N A 28 ARG CA A 28 ARG C A 29 GLY N 1.0 88.0 164.0 PSI 39 39 A 29 GLY C A 30 TRP N A 30 TRP CA A 30 TRP C 1.0 -152.0 -40.1 PHI 40 40 A 30 TRP N A 30 TRP CA A 30 TRP C A 31 SER N 1.0 102.4 169.0 PSI 41 41 A 30 TRP C A 31 SER N A 31 SER CA A 31 SER C 1.0 -132.8 -41.0 PHI 42 42 A 31 SER N A 31 SER CA A 31 SER C A 32 PRO N 1.0 58.3 184.6 PSI 43 43 A 32 PRO C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -98.0 -34.0 PHI 44 44 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 TYR N 1.0 -62.0 26.0 PSI 45 45 A 35 ASN C A 36 THR N A 36 THR CA A 36 THR C 1.0 -146.0 -94.0 PHI 46 46 A 36 THR N A 36 THR CA A 36 THR C A 37 TRP N 1.0 125.0 185.0 PSI 47 47 A 36 THR C A 37 TRP N A 37 TRP CA A 37 TRP C 1.0 -111.0 -59.0 PHI 48 48 A 37 TRP N A 37 TRP CA A 37 TRP C A 38 GLU N 1.0 108.0 156.0 PSI 49 49 A 37 TRP C A 38 GLU N A 38 GLU CA A 38 GLU C 1.0 -154.4 -75.6 PHI 50 50 A 38 GLU N A 38 GLU CA A 38 GLU C A 39 PRO N 1.0 85.1 201.3 PSI 51 51 A 39 PRO C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -75.0 -39.0 PHI 52 52 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 GLU N 1.0 -59.0 5.0 PSI 53 53 A 40 GLU C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -95.0 -43.0 PHI 54 54 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 ASN N 1.0 -54.0 14.0 PSI 55 55 A 46 PRO C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -73.0 -53.0 PHI 56 56 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 LEU N 1.0 -55.0 -23.0 PSI 57 57 A 47 ARG C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -73.0 -53.0 PHI 58 58 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 LEU N 1.0 -52.0 -32.0 PSI 59 59 A 48 LEU C A 49 LEU N A 49 LEU CA A 49 LEU C 1.0 -75.0 -55.0 PHI 60 60 A 49 LEU N A 49 LEU CA A 49 LEU C A 50 ILE N 1.0 -57.0 -25.0 PSI 61 61 A 49 LEU C A 50 ILE N A 50 ILE CA A 50 ILE C 1.0 -72.0 -52.0 PHI 62 62 A 50 ILE N A 50 ILE CA A 50 ILE C A 51 ALA N 1.0 -48.0 -28.0 PSI 63 63 A 50 ILE C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -76.8 -49.9 PHI 64 64 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 PHE N 1.0 -53.1 -26.6 PSI 65 65 A 51 ALA C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -71.8 -51.8 PHI 66 66 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 GLN N 1.0 -55.2 -32.1 PSI 67 67 A 52 PHE C A 53 GLN N A 53 GLN CA A 53 GLN C 1.0 -73.4 -53.0 PHI 68 68 A 53 GLN N A 53 GLN CA A 53 GLN C A 54 ASN N 1.0 -57.0 -27.3 PSI 69 69 A 53 GLN C A 54 ASN N A 54 ASN CA A 54 ASN C 1.0 -87.5 -45.9 PHI 70 70 A 54 ASN N A 54 ASN CA A 54 ASN C A 55 ARG N 1.0 -57.3 -19.8 PSI 71 71 A 54 ASN C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -86.2 -46.7 PHI 72 72 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 GLU N 1.0 -59.4 -18.7 PSI 73 73 A 55 ARG C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -116.0 -36.0 PHI 74 74 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 ARG N 1.0 -75.0 25.0 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 2433.090 2 1H 11160.714 3 1H 11160.714 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 14084.507 2 1H 11198.208 3 1H 11160.714 stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 4828.585 2 1H 11160.714 3 1H 11198.208 stop_ save_