data_nef_c17072_2l12 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 17079 BMRB 17071 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 2 8 ARG C 2 9 M3L N 2 9 M3L C 2 10 SER N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 GLU middle . . 3 A 3 GLN middle . . 4 A 4 VAL middle . . 5 A 5 PHE middle . . 6 A 6 ALA middle . . 7 A 7 VAL middle . . 8 A 8 GLU middle . . 9 A 9 SER middle . . 10 A 10 ILE middle . . 11 A 11 ARG middle . . 12 A 12 LYS middle . . 13 A 13 LYS middle . . 14 A 14 ARG middle . . 15 A 15 VAL middle . . 16 A 16 ARG middle . . 17 A 17 LYS middle . . 18 A 18 GLY middle . false 19 A 19 LYS middle . . 20 A 20 VAL middle . . 21 A 21 GLU middle . . 22 A 22 TYR middle . . 23 A 23 LEU middle . . 24 A 24 VAL middle . . 25 A 25 LYS middle . . 26 A 26 TRP middle . . 27 A 27 LYS middle . . 28 A 28 GLY middle . false 29 A 29 TRP middle . . 30 A 30 PRO middle . false 31 A 31 PRO middle . false 32 A 32 LYS middle . . 33 A 33 TYR middle . . 34 A 34 SER middle . . 35 A 35 THR middle . . 36 A 36 TRP middle . . 37 A 37 GLU middle . . 38 A 38 PRO middle . false 39 A 39 GLU middle . . 40 A 40 GLU middle . . 41 A 41 HIS middle . . 42 A 42 ILE middle . . 43 A 43 LEU middle . . 44 A 44 ASP middle . . 45 A 45 PRO middle . false 46 A 46 ARG middle . . 47 A 47 LEU middle . . 48 A 48 VAL middle . . 49 A 49 MET middle . . 50 A 50 ALA middle . . 51 A 51 TYR middle . . 52 A 52 GLU middle . . 53 A 53 GLU middle . . 54 A 54 LYS middle . . 55 A 55 GLU middle . . 56 A 56 GLU end . . 57 B 1 ALA start . . 58 B 2 ARG middle . . 59 B 3 THR middle . . 60 B 4 LYS middle . . 61 B 5 GLN middle . . 62 B 6 THR middle . . 63 B 7 ALA middle . . 64 B 8 ARG middle -OXT . 65 B 9 M3L middle -H2,-OXT . 66 B 10 SER middle -H2 . 67 B 11 THR middle . . 68 B 12 GLY middle . false 69 B 13 GLY middle . false 70 B 14 LYS middle . . 71 B 15 ALA end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 3 GLN HA H 1 4.20 0.0300 A 3 GLN HBy H 1 1.99 0.0300 A 3 GLN HBx H 1 1.89 0.0300 A 3 GLN HGy H 1 2.22 0.0300 A 3 GLN HGx H 1 2.16 0.0300 A 3 GLN CA C 13 55.58 0.4000 A 3 GLN CB C 13 29.55 0.4000 A 3 GLN CG C 13 33.97 0.4000 A 4 VAL H H 1 7.52 0.0300 A 4 VAL HA H 1 4.40 0.0300 A 4 VAL HB H 1 1.70 0.0300 A 4 VAL HGx% H 1 0.70 0.0300 A 4 VAL HGy% H 1 0.69 0.0300 A 4 VAL C C 13 175.20 0.4000 A 4 VAL CA C 13 61.21 0.4000 A 4 VAL CB C 13 33.44 0.4000 A 4 VAL CG1 C 13 21.76 0.4000 A 4 VAL CG2 C 13 20.54 0.4000 A 4 VAL N N 15 119.53 0.4000 A 5 PHE H H 1 8.73 0.0300 A 5 PHE HA H 1 4.80 0.0300 A 5 PHE HBy H 1 3.06 0.0300 A 5 PHE HBx H 1 2.65 0.0300 A 5 PHE HD1 H 1 6.92 0.0300 A 5 PHE HD2 H 1 6.92 0.0300 A 5 PHE HE1 H 1 7.00 0.0300 A 5 PHE HE2 H 1 7.00 0.0300 A 5 PHE HZ H 1 7.04 0.0300 A 5 PHE C C 13 174.57 0.4000 A 5 PHE CA C 13 56.51 0.4000 A 5 PHE CB C 13 43.71 0.4000 A 5 PHE CD1 C 13 132.26 0.4000 A 5 PHE CE1 C 13 129.73 0.4000 A 5 PHE CZ C 13 131.25 0.4000 A 5 PHE N N 15 123.15 0.4000 A 6 ALA H H 1 8.76 0.0300 A 6 ALA HA H 1 4.74 0.0300 A 6 ALA HB% H 1 1.54 0.0300 A 6 ALA CA C 13 52.28 0.4000 A 6 ALA CB C 13 19.90 0.4000 A 6 ALA N N 15 122.50 0.4000 A 7 VAL HA H 1 3.67 0.0300 A 7 VAL HB H 1 1.64 0.0300 A 7 VAL HGx% H 1 0.65 0.0300 A 7 VAL HGy% H 1 0.42 0.0300 A 7 VAL C C 13 175.06 0.4000 A 7 VAL CA C 13 63.15 0.4000 A 7 VAL CB C 13 34.12 0.4000 A 7 VAL CG1 C 13 23.53 0.4000 A 7 VAL CG2 C 13 22.41 0.4000 A 8 GLU H H 1 9.05 0.0300 A 8 GLU HA H 1 4.28 0.0300 A 8 GLU HBy H 1 1.81 0.0300 A 8 GLU HBx H 1 1.67 0.0300 A 8 GLU HGy H 1 2.20 0.0300 A 8 GLU HGx H 1 2.04 0.0300 A 8 GLU C C 13 175.49 0.4000 A 8 GLU CA C 13 57.89 0.4000 A 8 GLU CB C 13 31.68 0.4000 A 8 GLU CG C 13 36.18 0.4000 A 8 GLU N N 15 128.22 0.4000 A 9 SER H H 1 7.65 0.0300 A 9 SER HA H 1 4.21 0.0300 A 9 SER HBy H 1 3.77 0.0300 A 9 SER HBx H 1 3.64 0.0300 A 9 SER C C 13 171.62 0.4000 A 9 SER CA C 13 57.63 0.4000 A 9 SER CB C 13 64.86 0.4000 A 9 SER N N 15 109.30 0.4000 A 10 ILE H H 1 8.22 0.0300 A 10 ILE HA H 1 4.21 0.0300 A 10 ILE HB H 1 1.52 0.0300 A 10 ILE HD1% H 1 0.16 0.0300 A 10 ILE HG1y H 1 1.10 0.0300 A 10 ILE HG1x H 1 0.70 0.0300 A 10 ILE HG2% H 1 0.38 0.0300 A 10 ILE C C 13 173.45 0.4000 A 10 ILE CA C 13 60.13 0.4000 A 10 ILE CB C 13 37.99 0.4000 A 10 ILE CD1 C 13 12.57 0.4000 A 10 ILE CG1 C 13 27.84 0.4000 A 10 ILE CG2 C 13 18.04 0.4000 A 10 ILE N N 15 120.06 0.4000 A 11 ARG H H 1 8.96 0.0300 A 11 ARG HA H 1 4.30 0.0300 A 11 ARG HBy H 1 1.87 0.0300 A 11 ARG HBx H 1 1.25 0.0300 A 11 ARG HDy H 1 2.98 0.0300 A 11 ARG HDx H 1 2.79 0.0300 A 11 ARG HGy H 1 1.52 0.0300 A 11 ARG HGx H 1 1.42 0.0300 A 11 ARG C C 13 176.14 0.4000 A 11 ARG CA C 13 56.29 0.4000 A 11 ARG CB C 13 32.24 0.4000 A 11 ARG CD C 13 42.62 0.4000 A 11 ARG CG C 13 26.03 0.4000 A 11 ARG N N 15 123.58 0.4000 A 12 LYS H H 1 7.00 0.0300 A 12 LYS HA H 1 4.67 0.0300 A 12 LYS HBy H 1 1.89 0.0300 A 12 LYS HBx H 1 1.58 0.0300 A 12 LYS HDy H 1 1.85 0.0300 A 12 LYS HDx H 1 1.75 0.0300 A 12 LYS HEx H 1 3.02 0.0300 A 12 LYS HEy H 1 3.02 0.0300 A 12 LYS HGx H 1 1.44 0.0300 A 12 LYS HGy H 1 1.61 0.0300 A 12 LYS C C 13 172.81 0.4000 A 12 LYS CA C 13 55.35 0.4000 A 12 LYS CB C 13 38.13 0.4000 A 12 LYS CD C 13 29.36 0.4000 A 12 LYS CE C 13 42.23 0.4000 A 12 LYS CG C 13 26.07 0.4000 A 12 LYS N N 15 115.31 0.4000 A 13 LYS H H 1 8.14 0.0300 A 13 LYS HA H 1 5.31 0.0300 A 13 LYS HBy H 1 1.72 0.0300 A 13 LYS HBx H 1 1.49 0.0300 A 13 LYS HDx H 1 1.66 0.0300 A 13 LYS HDy H 1 1.66 0.0300 A 13 LYS HEy H 1 2.81 0.0300 A 13 LYS HEx H 1 2.75 0.0300 A 13 LYS HGy H 1 1.03 0.0300 A 13 LYS HGx H 1 0.92 0.0300 A 13 LYS C C 13 174.57 0.4000 A 13 LYS CA C 13 54.93 0.4000 A 13 LYS CB C 13 37.43 0.4000 A 13 LYS CD C 13 30.26 0.4000 A 13 LYS CE C 13 42.13 0.4000 A 13 LYS CG C 13 24.66 0.4000 A 13 LYS N N 15 122.27 0.4000 A 14 ARG H H 1 9.30 0.0300 A 14 ARG HA H 1 4.73 0.0300 A 14 ARG HBy H 1 1.56 0.0300 A 14 ARG HBx H 1 1.27 0.0300 A 14 ARG HDx H 1 2.01 0.0300 A 14 ARG HDy H 1 2.01 0.0300 A 14 ARG HGy H 1 1.09 0.0300 A 14 ARG HGx H 1 0.65 0.0300 A 14 ARG C C 13 171.93 0.4000 A 14 ARG CA C 13 54.17 0.4000 A 14 ARG CB C 13 32.95 0.4000 A 14 ARG CD C 13 42.32 0.4000 A 14 ARG CG C 13 25.12 0.4000 A 14 ARG N N 15 123.85 0.4000 A 15 VAL H H 1 8.15 0.0300 A 15 VAL HA H 1 4.63 0.0300 A 15 VAL HB H 1 1.72 0.0300 A 15 VAL HGx% H 1 0.72 0.0300 A 15 VAL HGy% H 1 0.56 0.0300 A 15 VAL C C 13 175.96 0.4000 A 15 VAL CA C 13 60.94 0.4000 A 15 VAL CB C 13 32.75 0.4000 A 15 VAL CG1 C 13 20.92 0.4000 A 15 VAL CG2 C 13 20.77 0.4000 A 15 VAL N N 15 119.44 0.4000 A 16 ARG H H 1 8.91 0.0300 A 16 ARG HA H 1 4.43 0.0300 A 16 ARG HBy H 1 1.47 0.0300 A 16 ARG HBx H 1 1.15 0.0300 A 16 ARG HDy H 1 3.02 0.0300 A 16 ARG HDx H 1 2.70 0.0300 A 16 ARG HGy H 1 1.30 0.0300 A 16 ARG HGx H 1 1.10 0.0300 A 16 ARG CA C 13 54.83 0.4000 A 16 ARG CB C 13 33.15 0.4000 A 16 ARG CD C 13 42.95 0.4000 A 16 ARG CG C 13 27.27 0.4000 A 16 ARG N N 15 128.62 0.4000 A 17 LYS HA H 1 3.76 0.0300 A 17 LYS HBy H 1 1.88 0.0300 A 17 LYS HBx H 1 1.68 0.0300 A 17 LYS HDx H 1 1.59 0.0300 A 17 LYS HDy H 1 1.59 0.0300 A 17 LYS HEx H 1 2.90 0.0300 A 17 LYS HEy H 1 2.90 0.0300 A 17 LYS HGx H 1 1.28 0.0300 A 17 LYS HGy H 1 1.28 0.0300 A 17 LYS C C 13 176.44 0.4000 A 17 LYS CA C 13 56.97 0.4000 A 17 LYS CB C 13 29.89 0.4000 A 17 LYS CD C 13 29.11 0.4000 A 17 LYS CE C 13 42.12 0.4000 A 17 LYS CG C 13 25.23 0.4000 A 18 GLY H H 1 8.22 0.0300 A 18 GLY HAy H 1 4.01 0.0300 A 18 GLY HAx H 1 3.38 0.0300 A 18 GLY C C 13 173.39 0.4000 A 18 GLY CA C 13 45.32 0.4000 A 18 GLY N N 15 103.05 0.4000 A 19 LYS H H 1 7.70 0.0300 A 19 LYS HA H 1 4.55 0.0300 A 19 LYS HBy H 1 1.90 0.0300 A 19 LYS HBx H 1 1.70 0.0300 A 19 LYS HDx H 1 1.68 0.0300 A 19 LYS HDy H 1 1.68 0.0300 A 19 LYS HEx H 1 2.99 0.0300 A 19 LYS HEy H 1 2.99 0.0300 A 19 LYS HGy H 1 1.40 0.0300 A 19 LYS HGx H 1 1.34 0.0300 A 19 LYS C C 13 174.73 0.4000 A 19 LYS CA C 13 54.29 0.4000 A 19 LYS CB C 13 33.67 0.4000 A 19 LYS CD C 13 28.47 0.4000 A 19 LYS CE C 13 41.88 0.4000 A 19 LYS CG C 13 24.11 0.4000 A 19 LYS N N 15 121.70 0.4000 A 20 VAL H H 1 8.52 0.0300 A 20 VAL HA H 1 4.16 0.0300 A 20 VAL HB H 1 1.74 0.0300 A 20 VAL HGx% H 1 0.86 0.0300 A 20 VAL HGy% H 1 0.43 0.0300 A 20 VAL C C 13 175.66 0.4000 A 20 VAL CA C 13 62.97 0.4000 A 20 VAL CB C 13 32.00 0.4000 A 20 VAL CG1 C 13 22.11 0.4000 A 20 VAL CG2 C 13 21.97 0.4000 A 20 VAL N N 15 124.69 0.4000 A 21 GLU H H 1 8.87 0.0300 A 21 GLU HA H 1 4.96 0.0300 A 21 GLU HBy H 1 1.77 0.0300 A 21 GLU HBx H 1 1.62 0.0300 A 21 GLU HGy H 1 2.02 0.0300 A 21 GLU HGx H 1 1.78 0.0300 A 21 GLU C C 13 174.10 0.4000 A 21 GLU CA C 13 53.74 0.4000 A 21 GLU CB C 13 35.48 0.4000 A 21 GLU CG C 13 36.18 0.4000 A 21 GLU N N 15 125.98 0.4000 A 22 TYR H H 1 9.30 0.0300 A 22 TYR HA H 1 5.29 0.0300 A 22 TYR HBy H 1 2.71 0.0300 A 22 TYR HBx H 1 2.24 0.0300 A 22 TYR HD1 H 1 6.67 0.0300 A 22 TYR HD2 H 1 6.67 0.0300 A 22 TYR HE1 H 1 6.49 0.0300 A 22 TYR HE2 H 1 6.49 0.0300 A 22 TYR C C 13 174.02 0.4000 A 22 TYR CA C 13 56.20 0.4000 A 22 TYR CB C 13 42.45 0.4000 A 22 TYR CD1 C 13 132.73 0.4000 A 22 TYR CE1 C 13 117.17 0.4000 A 22 TYR N N 15 117.67 0.4000 A 23 LEU H H 1 8.01 0.0300 A 23 LEU HA H 1 3.65 0.0300 A 23 LEU HBy H 1 0.81 0.0300 A 23 LEU HBx H 1 -1.51 0.0300 A 23 LEU HDx% H 1 0.29 0.0300 A 23 LEU HDy% H 1 -0.58 0.0300 A 23 LEU HG H 1 0.50 0.0300 A 23 LEU C C 13 175.95 0.4000 A 23 LEU CA C 13 53.47 0.4000 A 23 LEU CB C 13 40.09 0.4000 A 23 LEU CD1 C 13 25.32 0.4000 A 23 LEU CD2 C 13 20.13 0.4000 A 23 LEU CG C 13 26.45 0.4000 A 23 LEU N N 15 126.47 0.4000 A 24 VAL H H 1 8.98 0.0300 A 24 VAL HA H 1 3.42 0.0300 A 24 VAL HB H 1 1.41 0.0300 A 24 VAL HGx% H 1 0.35 0.0300 A 24 VAL HGy% H 1 -0.91 0.0300 A 24 VAL C C 13 173.31 0.4000 A 24 VAL CA C 13 62.79 0.4000 A 24 VAL CB C 13 33.16 0.4000 A 24 VAL CG1 C 13 21.49 0.4000 A 24 VAL CG2 C 13 20.95 0.4000 A 24 VAL N N 15 130.84 0.4000 A 25 LYS H H 1 8.03 0.0300 A 25 LYS HA H 1 4.56 0.0300 A 25 LYS HBy H 1 2.00 0.0300 A 25 LYS HBx H 1 1.23 0.0300 A 25 LYS HDy H 1 1.72 0.0300 A 25 LYS HDx H 1 1.55 0.0300 A 25 LYS HEy H 1 2.96 0.0300 A 25 LYS HEx H 1 2.79 0.0300 A 25 LYS HGx H 1 1.27 0.0300 A 25 LYS HGy H 1 1.27 0.0300 A 25 LYS C C 13 175.57 0.4000 A 25 LYS CA C 13 54.30 0.4000 A 25 LYS CB C 13 32.77 0.4000 A 25 LYS CD C 13 28.83 0.4000 A 25 LYS CE C 13 42.99 0.4000 A 25 LYS CG C 13 25.60 0.4000 A 25 LYS N N 15 125.55 0.4000 A 26 TRP H H 1 8.31 0.0300 A 26 TRP HA H 1 4.54 0.0300 A 26 TRP HBy H 1 3.30 0.0300 A 26 TRP HBx H 1 2.84 0.0300 A 26 TRP HD1 H 1 7.32 0.0300 A 26 TRP HE1 H 1 10.59 0.0300 A 26 TRP HE3 H 1 7.42 0.0300 A 26 TRP HH2 H 1 6.85 0.0300 A 26 TRP HZ2 H 1 7.50 0.0300 A 26 TRP HZ3 H 1 7.08 0.0300 A 26 TRP C C 13 176.90 0.4000 A 26 TRP CA C 13 56.20 0.4000 A 26 TRP CB C 13 30.05 0.4000 A 26 TRP CD1 C 13 127.98 0.4000 A 26 TRP CE3 C 13 120.93 0.4000 A 26 TRP CH2 C 13 125.11 0.4000 A 26 TRP CZ2 C 13 114.23 0.4000 A 26 TRP CZ3 C 13 123.79 0.4000 A 26 TRP N N 15 132.04 0.4000 A 26 TRP NE1 N 15 130.78 0.4000 A 27 LYS HA H 1 4.22 0.0300 A 27 LYS HBy H 1 1.87 0.0300 A 27 LYS HBx H 1 1.42 0.0300 A 27 LYS HDy H 1 1.67 0.0300 A 27 LYS HDx H 1 1.61 0.0300 A 27 LYS HEx H 1 2.94 0.0300 A 27 LYS HEy H 1 2.94 0.0300 A 27 LYS HGx H 1 1.38 0.0300 A 27 LYS HGy H 1 1.38 0.0300 A 27 LYS CA C 13 58.09 0.4000 A 27 LYS CB C 13 32.96 0.4000 A 27 LYS CD C 13 29.51 0.4000 A 27 LYS CE C 13 42.11 0.4000 A 27 LYS CG C 13 24.97 0.4000 A 28 GLY HAy H 1 4.08 0.0300 A 28 GLY HAx H 1 3.59 0.0300 A 28 GLY C C 13 173.38 0.4000 A 28 GLY CA C 13 45.40 0.4000 A 29 TRP H H 1 7.65 0.0300 A 29 TRP HA H 1 4.86 0.0300 A 29 TRP HBy H 1 3.08 0.0300 A 29 TRP HBx H 1 2.96 0.0300 A 29 TRP HD1 H 1 7.03 0.0300 A 29 TRP HE3 H 1 6.72 0.0300 A 29 TRP HH2 H 1 7.03 0.0300 A 29 TRP HZ2 H 1 7.33 0.0300 A 29 TRP HZ3 H 1 6.66 0.0300 A 29 TRP CA C 13 54.51 0.4000 A 29 TRP CB C 13 31.10 0.4000 A 29 TRP CD1 C 13 127.18 0.4000 A 29 TRP CE3 C 13 120.02 0.4000 A 29 TRP CH2 C 13 124.84 0.4000 A 29 TRP CZ2 C 13 114.36 0.4000 A 29 TRP CZ3 C 13 122.24 0.4000 A 29 TRP N N 15 120.15 0.4000 A 30 PRO HA H 1 4.88 0.0300 A 30 PRO HBy H 1 2.67 0.0300 A 30 PRO HBx H 1 2.22 0.0300 A 30 PRO HDx H 1 3.91 0.0300 A 30 PRO HDy H 1 3.91 0.0300 A 30 PRO HGx H 1 2.25 0.0300 A 30 PRO HGy H 1 2.25 0.0300 A 30 PRO CA C 13 62.21 0.4000 A 30 PRO CB C 13 31.32 0.4000 A 30 PRO CD C 13 51.39 0.4000 A 30 PRO CG C 13 27.44 0.4000 A 31 PRO HA H 1 4.17 0.0300 A 31 PRO HBy H 1 2.32 0.0300 A 31 PRO HBx H 1 1.99 0.0300 A 31 PRO HDx H 1 3.91 0.0300 A 31 PRO HDy H 1 3.91 0.0300 A 31 PRO HGy H 1 2.20 0.0300 A 31 PRO HGx H 1 1.89 0.0300 A 31 PRO CA C 13 65.95 0.4000 A 31 PRO CB C 13 31.90 0.4000 A 31 PRO CD C 13 51.11 0.4000 A 31 PRO CG C 13 27.88 0.4000 A 32 LYS HA H 1 4.18 0.0300 A 32 LYS HBy H 1 1.79 0.0300 A 32 LYS HBx H 1 1.57 0.0300 A 32 LYS HDx H 1 1.44 0.0300 A 32 LYS HDy H 1 1.44 0.0300 A 32 LYS HEx H 1 2.72 0.0300 A 32 LYS HEy H 1 2.72 0.0300 A 32 LYS HGy H 1 0.96 0.0300 A 32 LYS HGx H 1 0.57 0.0300 A 32 LYS C C 13 176.68 0.4000 A 32 LYS CA C 13 58.55 0.4000 A 32 LYS CB C 13 31.29 0.4000 A 32 LYS CD C 13 29.29 0.4000 A 32 LYS CE C 13 41.97 0.4000 A 32 LYS CG C 13 23.94 0.4000 A 33 TYR H H 1 8.27 0.0300 A 33 TYR HA H 1 4.54 0.0300 A 33 TYR HBy H 1 3.15 0.0300 A 33 TYR HBx H 1 2.96 0.0300 A 33 TYR HD1 H 1 7.21 0.0300 A 33 TYR HD2 H 1 7.21 0.0300 A 33 TYR HE1 H 1 6.93 0.0300 A 33 TYR HE2 H 1 6.93 0.0300 A 33 TYR C C 13 175.24 0.4000 A 33 TYR CA C 13 58.31 0.4000 A 33 TYR CB C 13 38.40 0.4000 A 33 TYR CD1 C 13 133.23 0.4000 A 33 TYR CE1 C 13 118.45 0.4000 A 33 TYR N N 15 117.73 0.4000 A 34 SER H H 1 7.72 0.0300 A 34 SER HA H 1 4.92 0.0300 A 34 SER HBy H 1 3.57 0.0300 A 34 SER HBx H 1 3.39 0.0300 A 34 SER C C 13 174.25 0.4000 A 34 SER CA C 13 60.79 0.4000 A 34 SER CB C 13 63.49 0.4000 A 34 SER N N 15 116.50 0.4000 A 35 THR H H 1 8.02 0.0300 A 35 THR HA H 1 4.73 0.0300 A 35 THR HB H 1 4.30 0.0300 A 35 THR HG2% H 1 1.24 0.0300 A 35 THR C C 13 173.44 0.4000 A 35 THR CA C 13 59.19 0.4000 A 35 THR CB C 13 71.28 0.4000 A 35 THR CG2 C 13 23.95 0.4000 A 35 THR N N 15 113.53 0.4000 A 36 TRP H H 1 8.48 0.0300 A 36 TRP HA H 1 4.90 0.0300 A 36 TRP HBy H 1 2.86 0.0300 A 36 TRP HBx H 1 2.65 0.0300 A 36 TRP HD1 H 1 7.11 0.0300 A 36 TRP HE1 H 1 9.94 0.0300 A 36 TRP HE3 H 1 6.84 0.0300 A 36 TRP HH2 H 1 6.64 0.0300 A 36 TRP HZ2 H 1 7.32 0.0300 A 36 TRP HZ3 H 1 6.56 0.0300 A 36 TRP C C 13 176.89 0.4000 A 36 TRP CA C 13 56.32 0.4000 A 36 TRP CB C 13 29.27 0.4000 A 36 TRP CD1 C 13 127.64 0.4000 A 36 TRP CE3 C 13 120.02 0.4000 A 36 TRP CH2 C 13 122.84 0.4000 A 36 TRP CZ2 C 13 114.62 0.4000 A 36 TRP CZ3 C 13 121.77 0.4000 A 36 TRP N N 15 122.87 0.4000 A 36 TRP NE1 N 15 129.39 0.4000 A 37 GLU H H 1 9.71 0.0300 A 37 GLU HA H 1 5.38 0.0300 A 37 GLU HBy H 1 2.21 0.0300 A 37 GLU HBx H 1 1.62 0.0300 A 37 GLU HGx H 1 2.54 0.0300 A 37 GLU HGy H 1 2.54 0.0300 A 37 GLU CA C 13 51.50 0.4000 A 37 GLU CB C 13 31.41 0.4000 A 37 GLU CG C 13 34.22 0.4000 A 37 GLU N N 15 124.20 0.4000 A 38 PRO HA H 1 4.75 0.0300 A 38 PRO HBy H 1 2.27 0.0300 A 38 PRO HBx H 1 2.02 0.0300 A 38 PRO HDy H 1 3.60 0.0300 A 38 PRO HDx H 1 3.44 0.0300 A 38 PRO HGy H 1 1.60 0.0300 A 38 PRO HGx H 1 1.09 0.0300 A 38 PRO C C 13 178.10 0.4000 A 38 PRO CA C 13 62.06 0.4000 A 38 PRO CB C 13 32.44 0.4000 A 38 PRO CD C 13 50.26 0.4000 A 38 PRO CG C 13 26.02 0.4000 A 39 GLU H H 1 8.23 0.0300 A 39 GLU HA H 1 4.03 0.0300 A 39 GLU HBx H 1 2.00 0.0300 A 39 GLU HBy H 1 2.27 0.0300 A 39 GLU HGy H 1 2.40 0.0300 A 39 GLU HGx H 1 2.30 0.0300 A 39 GLU C C 13 178.12 0.4000 A 39 GLU CA C 13 60.21 0.4000 A 39 GLU CB C 13 30.10 0.4000 A 39 GLU CG C 13 35.65 0.4000 A 39 GLU N N 15 120.46 0.4000 A 40 GLU H H 1 9.77 0.0300 A 40 GLU HA H 1 4.28 0.0300 A 40 GLU HBx H 1 2.12 0.0300 A 40 GLU HBy H 1 2.12 0.0300 A 40 GLU HGy H 1 2.38 0.0300 A 40 GLU HGx H 1 2.23 0.0300 A 40 GLU C C 13 177.72 0.4000 A 40 GLU CA C 13 58.74 0.4000 A 40 GLU CB C 13 28.46 0.4000 A 40 GLU CG C 13 36.00 0.4000 A 40 GLU N N 15 118.43 0.4000 A 41 HIS H H 1 8.50 0.0300 A 41 HIS HA H 1 4.64 0.0300 A 41 HIS HBy H 1 3.91 0.0300 A 41 HIS HBx H 1 3.55 0.0300 A 41 HIS C C 13 175.41 0.4000 A 41 HIS CA C 13 55.70 0.4000 A 41 HIS CB C 13 29.56 0.4000 A 41 HIS N N 15 118.07 0.4000 A 42 ILE H H 1 7.92 0.0300 A 42 ILE HA H 1 3.97 0.0300 A 42 ILE HB H 1 2.30 0.0300 A 42 ILE HD1% H 1 0.44 0.0300 A 42 ILE HG1x H 1 1.09 0.0300 A 42 ILE HG1y H 1 1.09 0.0300 A 42 ILE HG2% H 1 0.73 0.0300 A 42 ILE CA C 13 60.35 0.4000 A 42 ILE CB C 13 34.19 0.4000 A 42 ILE CD1 C 13 9.79 0.4000 A 42 ILE CG1 C 13 26.93 0.4000 A 42 ILE CG2 C 13 19.27 0.4000 A 42 ILE N N 15 120.02 0.4000 A 43 LEU HA H 1 4.30 0.0300 A 43 LEU HBy H 1 1.78 0.0300 A 43 LEU HBx H 1 1.43 0.0300 A 43 LEU HDx% H 1 0.81 0.0300 A 43 LEU HDy% H 1 0.76 0.0300 A 43 LEU HG H 1 1.70 0.0300 A 43 LEU CA C 13 56.20 0.4000 A 43 LEU CB C 13 40.70 0.4000 A 43 LEU CD1 C 13 25.84 0.4000 A 43 LEU CD2 C 13 22.09 0.4000 A 43 LEU CG C 13 27.20 0.4000 A 44 ASP HA H 1 5.18 0.0300 A 44 ASP HBx H 1 2.82 0.0300 A 44 ASP HBy H 1 2.82 0.0300 A 44 ASP CA C 13 49.98 0.4000 A 44 ASP CB C 13 42.33 0.4000 A 45 PRO HA H 1 4.26 0.0300 A 45 PRO HBy H 1 2.37 0.0300 A 45 PRO HBx H 1 1.96 0.0300 A 45 PRO HDx H 1 3.92 0.0300 A 45 PRO HDy H 1 4.03 0.0300 A 45 PRO HGx H 1 2.01 0.0300 A 45 PRO HGy H 1 2.01 0.0300 A 45 PRO C C 13 177.72 0.4000 A 45 PRO CA C 13 64.18 0.4000 A 45 PRO CB C 13 32.31 0.4000 A 45 PRO CD C 13 51.37 0.4000 A 45 PRO CG C 13 27.00 0.4000 A 46 ARG H H 1 8.34 0.0300 A 46 ARG HA H 1 4.01 0.0300 A 46 ARG HBy H 1 1.90 0.0300 A 46 ARG HBx H 1 1.83 0.0300 A 46 ARG HDy H 1 3.22 0.0300 A 46 ARG HDx H 1 3.19 0.0300 A 46 ARG HGx H 1 1.70 0.0300 A 46 ARG HGy H 1 1.70 0.0300 A 46 ARG C C 13 179.30 0.4000 A 46 ARG CA C 13 58.63 0.4000 A 46 ARG CB C 13 29.36 0.4000 A 46 ARG CD C 13 43.10 0.4000 A 46 ARG CG C 13 26.96 0.4000 A 46 ARG N N 15 118.40 0.4000 A 47 LEU H H 1 7.74 0.0300 A 47 LEU HA H 1 3.95 0.0300 A 47 LEU HBy H 1 1.77 0.0300 A 47 LEU HBx H 1 1.11 0.0300 A 47 LEU HDx% H 1 0.77 0.0300 A 47 LEU HDy% H 1 0.69 0.0300 A 47 LEU HG H 1 1.61 0.0300 A 47 LEU C C 13 179.02 0.4000 A 47 LEU CA C 13 57.17 0.4000 A 47 LEU CB C 13 42.79 0.4000 A 47 LEU CD1 C 13 26.26 0.4000 A 47 LEU CD2 C 13 23.04 0.4000 A 47 LEU CG C 13 26.94 0.4000 A 47 LEU N N 15 117.85 0.4000 A 48 VAL H H 1 6.77 0.0300 A 48 VAL HA H 1 3.47 0.0300 A 48 VAL HB H 1 2.07 0.0300 A 48 VAL HGx% H 1 0.73 0.0300 A 48 VAL HGy% H 1 0.60 0.0300 A 48 VAL C C 13 177.36 0.4000 A 48 VAL CA C 13 64.76 0.4000 A 48 VAL CB C 13 31.94 0.4000 A 48 VAL CG1 C 13 21.53 0.4000 A 48 VAL CG2 C 13 21.44 0.4000 A 48 VAL N N 15 116.53 0.4000 A 49 MET H H 1 7.61 0.0300 A 49 MET HA H 1 4.09 0.0300 A 49 MET HBy H 1 2.07 0.0300 A 49 MET HBx H 1 1.94 0.0300 A 49 MET HGy H 1 2.56 0.0300 A 49 MET HGx H 1 2.51 0.0300 A 49 MET C C 13 177.32 0.4000 A 49 MET CA C 13 58.49 0.4000 A 49 MET CB C 13 32.83 0.4000 A 49 MET CG C 13 31.92 0.4000 A 49 MET N N 15 119.72 0.4000 A 50 ALA H H 1 7.88 0.0300 A 50 ALA HA H 1 4.11 0.0300 A 50 ALA HB% H 1 1.34 0.0300 A 50 ALA C C 13 179.01 0.4000 A 50 ALA CA C 13 53.97 0.4000 A 50 ALA CB C 13 18.35 0.4000 A 50 ALA N N 15 119.40 0.4000 A 51 TYR H H 1 7.20 0.0300 A 51 TYR HA H 1 4.23 0.0300 A 51 TYR HBx H 1 2.99 0.0300 A 51 TYR HBy H 1 2.99 0.0300 A 51 TYR HD1 H 1 6.98 0.0300 A 51 TYR HD2 H 1 6.98 0.0300 A 51 TYR HE1 H 1 6.65 0.0300 A 51 TYR HE2 H 1 6.65 0.0300 A 51 TYR C C 13 176.61 0.4000 A 51 TYR CA C 13 60.36 0.4000 A 51 TYR CB C 13 38.44 0.4000 A 51 TYR CD1 C 13 133.09 0.4000 A 51 TYR CE1 C 13 118.15 0.4000 A 51 TYR N N 15 118.57 0.4000 A 52 GLU H H 1 8.08 0.0300 A 52 GLU HA H 1 3.86 0.0300 A 52 GLU HBy H 1 1.97 0.0300 A 52 GLU HBx H 1 1.92 0.0300 A 52 GLU HGy H 1 2.43 0.0300 A 52 GLU HGx H 1 2.29 0.0300 A 52 GLU C C 13 177.31 0.4000 A 52 GLU CA C 13 57.50 0.4000 A 52 GLU CB C 13 30.05 0.4000 A 52 GLU CG C 13 36.41 0.4000 A 52 GLU N N 15 120.20 0.4000 A 53 GLU H H 1 7.89 0.0300 A 53 GLU HA H 1 4.10 0.0300 A 53 GLU HBx H 1 1.96 0.0300 A 53 GLU HBy H 1 1.96 0.0300 A 53 GLU HGy H 1 2.29 0.0300 A 53 GLU HGx H 1 2.20 0.0300 A 53 GLU C C 13 176.63 0.4000 A 53 GLU CA C 13 57.01 0.4000 A 53 GLU CB C 13 29.88 0.4000 A 53 GLU CG C 13 36.33 0.4000 A 53 GLU N N 15 119.14 0.4000 A 54 LYS H H 1 7.64 0.0300 A 54 LYS HA H 1 4.23 0.0300 A 54 LYS HBy H 1 1.78 0.0300 A 54 LYS HBx H 1 1.72 0.0300 A 54 LYS HDx H 1 1.60 0.0300 A 54 LYS HDy H 1 1.60 0.0300 A 54 LYS HEx H 1 2.93 0.0300 A 54 LYS HEy H 1 2.93 0.0300 A 54 LYS HGy H 1 1.38 0.0300 A 54 LYS HGx H 1 1.35 0.0300 A 54 LYS C C 13 176.38 0.4000 A 54 LYS CA C 13 56.26 0.4000 A 54 LYS CB C 13 33.16 0.4000 A 54 LYS CD C 13 29.00 0.4000 A 54 LYS CE C 13 42.13 0.4000 A 54 LYS CG C 13 24.51 0.4000 A 54 LYS N N 15 120.73 0.4000 A 55 GLU H H 1 8.13 0.0300 A 55 GLU HA H 1 4.20 0.0300 A 55 GLU HBy H 1 1.99 0.0300 A 55 GLU HBx H 1 1.78 0.0300 A 55 GLU HGy H 1 2.18 0.0300 A 55 GLU HGx H 1 2.14 0.0300 A 55 GLU C C 13 175.55 0.4000 A 55 GLU CA C 13 56.46 0.4000 A 55 GLU CB C 13 30.46 0.4000 A 55 GLU CG C 13 36.19 0.4000 A 55 GLU N N 15 121.71 0.4000 A 56 GLU H H 1 7.88 0.0300 A 56 GLU HA H 1 4.06 0.0300 A 56 GLU HBy H 1 1.98 0.0300 A 56 GLU HBx H 1 1.84 0.0300 A 56 GLU HGx H 1 2.14 0.0300 A 56 GLU HGy H 1 2.14 0.0300 A 56 GLU CA C 13 58.00 0.4000 A 56 GLU CB C 13 31.24 0.4000 A 56 GLU CG C 13 36.71 0.4000 A 56 GLU N N 15 126.98 0.4000 B 3 THR HA H 1 3.99 0.0300 B 3 THR HG2% H 1 1.20 0.0300 B 5 GLN HA H 1 4.28 0.0300 B 5 GLN HBy H 1 1.88 0.0300 B 5 GLN HBx H 1 1.86 0.0300 B 5 GLN HE2x H 1 6.74 0.0300 B 5 GLN HGy H 1 2.27 0.0300 B 5 GLN HGx H 1 1.97 0.0300 B 6 THR HA H 1 4.07 0.0300 B 6 THR HB H 1 4.18 0.0300 B 6 THR HG2% H 1 1.08 0.0300 B 7 ALA HA H 1 3.89 0.0300 B 7 ALA HB% H 1 1.35 0.0300 B 8 ARG HA H 1 4.30 0.0300 B 8 ARG HBy H 1 1.75 0.0300 B 8 ARG HBx H 1 1.67 0.0300 B 8 ARG HDx H 1 3.09 0.0300 B 8 ARG HDy H 1 3.09 0.0300 B 8 ARG HGx H 1 1.54 0.0300 B 8 ARG HGy H 1 1.54 0.0300 B 9 M3L HA H 1 4.22 0.0300 B 9 M3L HDx H 1 1.56 0.0300 B 9 M3L HDy H 1 1.56 0.0300 B 9 M3L HEx H 1 2.87 0.0300 B 9 M3L HEy H 1 2.87 0.0300 B 10 SER HA H 1 4.43 0.0300 B 10 SER HBx H 1 3.77 0.0300 B 10 SER HBy H 1 3.79 0.0300 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 5 PHE HD% A 5 PHE HZ 1.0 1.8 5.0 2 2 A 26 TRP HD1 A 35 THR HG2% 1.0 1.8 5.0 3 3 A 26 TRP HD1 A 25 LYS HA 1.0 1.8 5.0 4 4 A 26 TRP HD1 A 26 TRP HA 1.0 1.8 5.0 5 5 A 26 TRP HD1 A 34 SER HA 1.0 1.8 3.5 6 6 A 35 THR HG2% A 26 TRP HZ2 1.0 1.8 5.0 7 7 A 26 TRP HZ2 A 24 VAL HB 1.0 1.8 5.0 8 8 A 26 TRP HBx A 26 TRP HE3 1.0 1.8 5.0 9 9 A 26 TRP HE3 A 7 VAL HA 1.0 1.8 5.0 10 10 A 26 TRP HE3 B 7 ALA HB% 1.0 1.8 6.0 11 11 A 26 TRP HA A 26 TRP HE3 1.0 1.8 5.0 12 12 A 12 LYS HBx A 36 TRP HZ2 1.0 1.8 5.0 13 13 A 36 TRP HZ2 A 12 LYS HBy 1.0 1.8 5.0 14 14 A 36 TRP HZ2 A 12 LYS HDx 1.0 1.8 5.0 15 15 A 36 TRP HZ2 A 23 LEU HDx% 1.0 1.8 5.0 16 16 A 36 TRP HBy A 36 TRP HD1 1.0 1.8 5.0 17 17 A 12 LYS HBx A 36 TRP HH2 1.0 1.8 5.0 18 18 A 36 TRP HH2 A 12 LYS HDx 1.0 1.8 5.0 19 19 A 12 LYS HBy A 36 TRP HH2 1.0 1.8 5.0 20 20 A 36 TRP HA A 36 TRP HE3 1.0 1.8 5.0 21 21 A 36 TRP HE3 A 36 TRP HBx 1.0 1.8 5.0 22 22 A 36 TRP HE3 A 21 GLU HBy 1.0 1.8 5.0 23 23 A 36 TRP HE3 A 21 GLU HBx 1.0 1.8 5.0 24 24 A 29 TRP HA A 29 TRP HE3 1.0 1.8 5.0 25 25 A 36 TRP HZ2 A 23 LEU HA 1.0 1.8 6.0 26 26 A 22 TYR HD% A 13 LYS HDx 1.0 1.8 5.0 27 26 A 13 LYS HDy A 22 TYR HD% 1.0 1.8 5.0 28 27 A 22 TYR HD% A 13 LYS HBy 1.0 1.8 5.0 29 28 A 22 TYR HD% A 42 ILE HD1% 1.0 1.8 5.0 30 29 A 22 TYR HD% A 42 ILE HG1x 1.0 1.8 5.0 31 29 A 22 TYR HD% A 42 ILE HG1y 1.0 1.8 5.0 32 30 A 22 TYR HD% A 48 VAL HGx% 1.0 1.8 5.0 33 31 A 22 TYR HD% A 48 VAL HGy% 1.0 1.8 5.0 34 32 A 22 TYR HD% A 13 LYS HGx 1.0 1.8 5.0 35 33 A 22 TYR HD% A 10 ILE HD1% 1.0 1.8 5.0 36 34 A 22 TYR HE% A 42 ILE HG1x 1.0 1.8 5.0 37 34 A 42 ILE HG1y A 22 TYR HE% 1.0 1.8 5.0 38 35 A 13 LYS HGx A 22 TYR HE% 1.0 1.8 5.0 39 36 A 22 TYR HE% A 48 VAL HGx% 1.0 1.8 5.0 40 37 A 22 TYR HE% A 48 VAL HGy% 1.0 1.8 5.0 41 38 A 22 TYR HE% A 39 GLU HBy 1.0 1.8 5.0 42 39 A 22 TYR HE% A 39 GLU HBx 1.0 1.8 5.0 43 40 A 22 TYR HE% A 13 LYS HDx 1.0 1.8 3.5 44 40 A 13 LYS HDy A 22 TYR HE% 1.0 1.8 3.5 45 41 A 13 LYS HBy A 22 TYR HE% 1.0 1.8 5.0 46 42 A 51 TYR HA A 51 TYR HE% 1.0 1.8 5.0 47 43 A 51 TYR HE% A 10 ILE HB 1.0 1.8 5.0 48 44 A 13 LYS HBy A 51 TYR HE% 1.0 1.8 5.0 49 45 A 51 TYR HE% A 10 ILE HG2% 1.0 1.8 5.0 50 46 A 10 ILE HG2% A 51 TYR HD% 1.0 1.8 5.0 51 47 A 51 TYR HD% A 10 ILE HG1y 1.0 1.8 5.0 52 48 A 10 ILE HB A 51 TYR HD% 1.0 1.8 5.0 53 49 A 51 TYR HD% A 52 GLU HGx 1.0 1.8 5.0 54 50 A 51 TYR HD% A 52 GLU HGy 1.0 1.8 5.0 55 51 A 51 TYR HD% A 52 GLU HA 1.0 1.8 5.0 56 52 A 51 TYR HD% A 48 VAL HA 1.0 1.8 5.0 57 53 A 51 TYR HA A 51 TYR HD% 1.0 1.8 3.5 58 54 A 33 TYR HE% A 32 LYS HEx 1.0 1.8 5.0 59 54 A 32 LYS HEy A 33 TYR HE% 1.0 1.8 5.0 60 55 A 33 TYR HE% A 30 PRO HGx 1.0 1.8 5.0 61 55 A 33 TYR HE% A 30 PRO HGy 1.0 1.8 5.0 62 56 A 33 TYR HE% A 32 LYS HDx 1.0 1.8 5.0 63 56 A 33 TYR HE% A 32 LYS HDy 1.0 1.8 5.0 64 57 A 33 TYR HD% A 30 PRO HGx 1.0 1.8 3.5 65 57 A 30 PRO HGy A 33 TYR HD% 1.0 1.8 3.5 66 58 A 33 TYR HD% A 30 PRO HDx 1.0 1.8 3.5 67 58 A 33 TYR HD% A 30 PRO HDy 1.0 1.8 3.5 68 59 A 33 TYR HD% A 33 TYR HA 1.0 1.8 5.0 69 60 A 33 TYR HD% A 32 LYS HGx 1.0 1.8 5.0 70 61 A 33 TYR HD% A 32 LYS HGy 1.0 1.8 5.0 71 62 A 22 TYR HD% A 13 LYS HA 1.0 1.8 5.0 72 63 A 51 TYR HE% A 52 GLU HBx 1.0 1.8 6.0 73 64 A 26 TRP HD1 A 25 LYS HDx 1.0 1.8 6.0 74 65 A 26 TRP HD1 A 25 LYS HDy 1.0 1.8 6.0 75 66 A 36 TRP HD1 A 36 TRP HA 1.0 1.8 5.0 76 67 A 35 THR HG2% A 36 TRP HD1 1.0 1.8 6.0 77 68 A 26 TRP HBy A 29 TRP HD1 1.0 1.8 5.0 78 69 A 10 ILE HG2% A 22 TYR HA 1.0 1.8 5.0 79 70 A 29 TRP HA A 30 PRO HGx 1.0 1.8 5.0 80 70 A 29 TRP HA A 30 PRO HGy 1.0 1.8 5.0 81 71 A 29 TRP HA A 30 PRO HBx 1.0 1.8 5.0 82 72 A 30 PRO HDy A 29 TRP HBx 1.0 1.8 5.0 83 72 A 29 TRP HBx A 30 PRO HDx 1.0 1.8 5.0 84 73 A 30 PRO HA A 31 PRO HDx 1.0 1.8 3.5 85 73 A 30 PRO HA A 31 PRO HDy 1.0 1.8 3.5 86 74 A 30 PRO HBy A 31 PRO HDx 1.0 1.8 3.5 87 74 A 31 PRO HDy A 30 PRO HBy 1.0 1.8 3.5 88 75 A 30 PRO HDy A 29 TRP HBy 1.0 1.8 5.0 89 75 A 29 TRP HBy A 30 PRO HDx 1.0 1.8 5.0 90 76 A 29 TRP HA A 30 PRO HDx 1.0 1.8 3.5 91 76 A 29 TRP HA A 30 PRO HDy 1.0 1.8 3.5 92 77 A 33 TYR HE% A 30 PRO HDx 1.0 1.8 5.0 93 77 A 33 TYR HE% A 30 PRO HDy 1.0 1.8 5.0 94 78 A 29 TRP HE3 A 30 PRO HDx 1.0 1.8 5.0 95 78 A 29 TRP HE3 A 30 PRO HDy 1.0 1.8 5.0 96 79 A 44 ASP HA A 45 PRO HGx 1.0 1.8 5.0 97 79 A 44 ASP HA A 45 PRO HGy 1.0 1.8 5.0 98 80 A 44 ASP HA A 42 ILE HG2% 1.0 1.8 5.0 99 81 A 24 VAL HGy% A 37 GLU HA 1.0 1.8 6.0 100 82 A 22 TYR HA A 11 ARG H 1.0 1.8 6.0 101 83 A 22 TYR HA A 24 VAL H 1.0 1.8 6.0 102 84 A 22 TYR HD% A 22 TYR HA 1.0 1.8 5.0 103 85 A 22 TYR HA A 36 TRP HZ3 1.0 1.8 5.0 104 86 A 36 TRP HE3 A 22 TYR HA 1.0 1.8 5.0 105 87 A 22 TYR HA A 14 ARG HGy 1.0 1.8 6.0 106 88 A 20 VAL HA A 15 VAL HGx% 1.0 1.8 5.0 107 89 A 20 VAL HA A 20 VAL HGy% 1.0 1.8 3.5 108 90 A 20 VAL HA A 15 VAL HB 1.0 1.8 5.0 109 91 A 21 GLU HA A 21 GLU HGy 1.0 1.8 5.0 110 92 A 21 GLU HA A 21 GLU HGx 1.0 1.8 5.0 111 93 A 17 LYS HA A 17 LYS HGx 1.0 1.8 3.5 112 93 A 17 LYS HA A 17 LYS HGy 1.0 1.8 3.5 113 94 A 17 LYS HEy A 17 LYS HGx 1.0 1.8 5.0 114 94 A 17 LYS HEx A 17 LYS HGx 1.0 1.8 5.0 115 94 A 17 LYS HGy A 17 LYS HEx 1.0 1.8 5.0 116 94 A 17 LYS HGy A 17 LYS HEy 1.0 1.8 5.0 117 95 A 45 PRO HBy A 46 ARG HA 1.0 1.8 5.0 118 96 A 45 PRO HA A 48 VAL H 1.0 1.8 5.0 119 97 A 45 PRO HA A 49 MET H 1.0 1.8 5.0 120 98 A 42 ILE HG2% A 45 PRO HA 1.0 1.8 5.0 121 99 A 44 ASP HA A 45 PRO HDy 1.0 1.8 3.5 122 100 A 46 ARG H A 45 PRO HDy 1.0 1.8 5.0 123 101 A 23 LEU HA A 24 VAL H 1.0 1.8 3.5 124 102 A 23 LEU HA A 24 VAL HGy% 1.0 1.8 5.0 125 103 A 12 LYS HBy A 23 LEU HBy 1.0 1.8 5.0 126 104 A 11 ARG H A 23 LEU HDx% 1.0 1.8 6.0 127 105 A 23 LEU HA A 23 LEU HDx% 1.0 1.8 5.0 128 106 A 23 LEU HDx% A 34 SER HBx 1.0 1.8 5.0 129 107 A 11 ARG HBx A 23 LEU HDx% 1.0 1.8 5.0 130 108 A 23 LEU HBy A 23 LEU HDx% 1.0 1.8 5.0 131 109 A 23 LEU HDx% A 23 LEU HBx 1.0 1.8 5.0 132 110 A 36 TRP HZ2 A 23 LEU HDy% 1.0 1.8 5.0 133 111 A 23 LEU HA A 23 LEU HDy% 1.0 1.8 5.0 134 112 A 23 LEU HDy% A 34 SER HBx 1.0 1.8 5.0 135 113 A 23 LEU HBy A 23 LEU HDy% 1.0 1.8 5.0 136 114 A 11 ARG HBx A 23 LEU HDy% 1.0 1.8 5.0 137 115 A 23 LEU HBx A 23 LEU HDy% 1.0 1.8 5.0 138 116 A 3 GLN HA A 4 VAL HGx% 1.0 1.8 5.0 139 117 A 3 GLN HA A 4 VAL HGy% 1.0 1.8 5.0 140 118 A 3 GLN HA A 5 PHE HE% 1.0 1.8 5.0 141 119 A 3 GLN HA A 4 VAL H 1.0 1.8 3.5 142 120 A 33 TYR HD% A 29 TRP HBy 1.0 1.8 6.0 143 121 A 33 TYR HD% A 29 TRP HBx 1.0 1.8 6.0 144 122 A 44 ASP HA A 45 PRO HDx 1.0 1.8 3.5 145 123 A 24 VAL HGy% A 37 GLU HBx 1.0 1.8 5.0 146 124 A 33 TYR HD% A 30 PRO HBy 1.0 1.8 5.0 147 125 A 33 TYR HE% A 30 PRO HBy 1.0 1.8 6.0 148 126 A 30 PRO HBx A 31 PRO HDx 1.0 1.8 5.0 149 126 A 30 PRO HBx A 31 PRO HDy 1.0 1.8 5.0 150 127 A 30 PRO HGx A 32 LYS HEx 1.0 1.8 5.0 151 127 A 30 PRO HGy A 32 LYS HEx 1.0 1.8 5.0 152 127 A 32 LYS HEy A 30 PRO HGx 1.0 1.8 5.0 153 127 A 32 LYS HEy A 30 PRO HGy 1.0 1.8 5.0 154 128 A 16 ARG HA A 16 ARG HGy 1.0 1.8 5.0 155 129 A 16 ARG HA A 16 ARG HGx 1.0 1.8 5.0 156 130 A 16 ARG HDy A 16 ARG HBx 1.0 1.8 5.0 157 131 A 16 ARG HBy A 16 ARG HDy 1.0 1.8 5.0 158 132 A 16 ARG HA A 16 ARG HDy 1.0 1.8 5.0 159 133 A 16 ARG HA A 16 ARG HDx 1.0 1.8 5.0 160 134 A 16 ARG HBx A 16 ARG HDx 1.0 1.8 5.0 161 135 A 16 ARG HBy A 16 ARG HDx 1.0 1.8 5.0 162 136 A 47 LEU HG A 42 ILE HG1x 1.0 1.8 5.0 163 136 A 42 ILE HG1y A 47 LEU HG 1.0 1.8 5.0 164 137 A 10 ILE HD1% A 42 ILE HG1x 1.0 1.8 5.0 165 137 A 42 ILE HG1y A 10 ILE HD1% 1.0 1.8 5.0 166 138 A 56 GLU HA A 56 GLU HGx 1.0 1.8 5.0 167 138 A 56 GLU HA A 56 GLU HGy 1.0 1.8 5.0 168 139 A 56 GLU H A 56 GLU HGx 1.0 1.8 5.0 169 139 A 56 GLU HGy A 56 GLU H 1.0 1.8 5.0 170 140 A 8 GLU HBy A 27 LYS HA 1.0 1.8 5.0 171 141 A 27 LYS HA A 27 LYS HDy 1.0 1.8 5.0 172 142 A 27 LYS HA A 27 LYS HGx 1.0 1.8 5.0 173 142 A 27 LYS HA A 27 LYS HGy 1.0 1.8 5.0 174 143 A 27 LYS HA A 27 LYS HEx 1.0 1.8 6.0 175 143 A 27 LYS HA A 27 LYS HEy 1.0 1.8 6.0 176 144 A 54 LYS HA A 54 LYS HEx 1.0 1.8 6.0 177 144 A 54 LYS HA A 54 LYS HEy 1.0 1.8 6.0 178 145 A 27 LYS HEx A 27 LYS HGx 1.0 1.8 3.5 179 145 A 27 LYS HEy A 27 LYS HGx 1.0 1.8 3.5 180 145 A 27 LYS HGy A 27 LYS HEx 1.0 1.8 3.5 181 145 A 27 LYS HGy A 27 LYS HEy 1.0 1.8 3.5 182 146 A 27 LYS HA A 27 LYS HDx 1.0 1.8 5.0 183 147 A 5 PHE HA A 6 ALA HB% 1.0 1.8 5.0 184 148 A 42 ILE HG2% A 44 ASP HBx 1.0 1.8 5.0 185 148 A 42 ILE HG2% A 44 ASP HBy 1.0 1.8 5.0 186 149 A 13 LYS HGx A 13 LYS HEy 1.0 1.8 5.0 187 150 A 22 TYR HD% A 13 LYS HEy 1.0 1.8 6.0 188 151 A 39 GLU HA A 41 HIS H 1.0 1.8 5.0 189 152 A 39 GLU HA A 42 ILE H 1.0 1.8 5.0 190 153 A 22 TYR HD% A 39 GLU HA 1.0 1.8 5.0 191 154 A 22 TYR HE% A 39 GLU HA 1.0 1.8 5.0 192 155 A 39 GLU HA A 42 ILE HG1x 1.0 1.8 5.0 193 155 A 42 ILE HG1y A 39 GLU HA 1.0 1.8 5.0 194 156 A 42 ILE HD1% A 39 GLU HA 1.0 1.8 5.0 195 157 A 20 VAL HB A 39 GLU HGy 1.0 1.8 5.0 196 158 A 39 GLU H A 39 GLU HGx 1.0 1.8 5.0 197 159 A 20 VAL HB A 39 GLU HGx 1.0 1.8 5.0 198 160 A 26 TRP HZ2 A 37 GLU HGx 1.0 1.8 5.0 199 160 A 26 TRP HZ2 A 37 GLU HGy 1.0 1.8 5.0 200 161 A 26 TRP HH2 A 37 GLU HGx 1.0 1.8 6.0 201 161 A 37 GLU HGy A 26 TRP HH2 1.0 1.8 6.0 202 162 A 31 PRO HA A 25 LYS HDy 1.0 1.8 5.0 203 163 A 31 PRO HA A 25 LYS HDx 1.0 1.8 5.0 204 164 A 31 PRO HA A 25 LYS HGx 1.0 1.8 6.0 205 164 A 31 PRO HA A 25 LYS HGy 1.0 1.8 6.0 206 165 A 31 PRO HA A 25 LYS HEx 1.0 1.8 5.0 207 166 A 31 PRO HA A 33 TYR H 1.0 1.8 5.0 208 167 A 30 PRO HA A 31 PRO HGx 1.0 1.8 5.0 209 168 A 30 PRO HA A 31 PRO HGy 1.0 1.8 5.0 210 169 A 30 PRO HBy A 33 TYR H 1.0 1.8 5.0 211 170 A 26 TRP HA A 7 VAL HA 1.0 1.8 5.0 212 171 A 24 VAL HGx% A 7 VAL HGy% 1.0 1.8 5.0 213 172 A 7 VAL HA A 7 VAL HGy% 1.0 1.8 5.0 214 173 A 7 VAL HA A 7 VAL HGx% 1.0 1.8 5.0 215 174 A 24 VAL HGx% A 7 VAL HGx% 1.0 1.8 5.0 216 175 A 7 VAL HB A 47 LEU HDy% 1.0 1.8 5.0 217 176 A 42 ILE HA A 43 LEU HG 1.0 1.8 5.0 218 177 A 47 LEU HDy% A 42 ILE HA 1.0 1.8 5.0 219 178 A 42 ILE HD1% A 42 ILE HA 1.0 1.8 3.5 220 179 A 42 ILE HD1% A 22 TYR HBx 1.0 1.8 5.0 221 180 A 42 ILE HD1% A 22 TYR HBy 1.0 1.8 5.0 222 181 A 42 ILE HD1% A 47 LEU HG 1.0 1.8 3.5 223 182 A 42 ILE HD1% A 10 ILE HD1% 1.0 1.8 3.5 224 183 A 42 ILE HD1% A 24 VAL HGx% 1.0 1.8 5.0 225 184 A 10 ILE HD1% A 42 ILE HG2% 1.0 1.8 5.0 226 185 A 42 ILE HD1% A 42 ILE HG2% 1.0 1.8 3.5 227 186 A 42 ILE HG2% A 42 ILE HG1x 1.0 1.8 3.5 228 186 A 42 ILE HG1y A 42 ILE HG2% 1.0 1.8 3.5 229 187 B 7 ALA HB% A 42 ILE HG2% 1.0 1.8 5.0 230 188 A 42 ILE HG2% A 47 LEU HG 1.0 1.8 5.0 231 189 A 42 ILE HG2% A 47 LEU HBy 1.0 1.8 5.0 232 190 A 42 ILE HG2% A 48 VAL HB 1.0 1.8 5.0 233 191 A 42 ILE HG2% A 42 ILE HA 1.0 1.8 3.5 234 192 A 22 TYR HD% A 42 ILE HG2% 1.0 1.8 6.0 235 193 A 42 ILE HG2% A 49 MET H 1.0 1.8 6.0 236 194 A 4 VAL HA A 4 VAL HGy% 1.0 1.8 5.0 237 195 B 6 THR HA A 4 VAL HGy% 1.0 1.8 6.0 238 196 A 4 VAL HA A 4 VAL HGx% 1.0 1.8 5.0 239 197 A 47 LEU H A 46 ARG HGx 1.0 1.8 5.0 240 197 A 46 ARG HGy A 47 LEU H 1.0 1.8 5.0 241 198 A 46 ARG HGy A 46 ARG HBy 1.0 1.8 3.5 242 198 A 46 ARG HBy A 46 ARG HGx 1.0 1.8 3.5 243 199 A 43 LEU HA A 43 LEU HDx% 1.0 1.8 5.0 244 200 A 11 ARG HA A 11 ARG HGx 1.0 1.8 5.0 245 201 A 43 LEU HG A 43 LEU HA 1.0 1.8 5.0 246 202 A 43 LEU HA A 43 LEU HDy% 1.0 1.8 5.0 247 203 A 47 LEU HA A 50 ALA HB% 1.0 1.8 5.0 248 204 A 49 MET HBy A 50 ALA HA 1.0 1.8 5.0 249 205 A 52 GLU HA A 52 GLU HGx 1.0 1.8 5.0 250 206 A 52 GLU HA A 52 GLU HGy 1.0 1.8 5.0 251 207 A 53 GLU HA A 53 GLU HGy 1.0 1.8 5.0 252 208 A 13 LYS H A 14 ARG HBx 1.0 1.8 5.0 253 209 A 36 TRP HH2 A 14 ARG HBx 1.0 1.8 5.0 254 210 A 14 ARG HBy A 14 ARG HDx 1.0 1.8 5.0 255 210 A 14 ARG HBy A 14 ARG HDy 1.0 1.8 5.0 256 211 A 14 ARG HBx A 14 ARG HDx 1.0 1.8 5.0 257 211 A 14 ARG HBx A 14 ARG HDy 1.0 1.8 5.0 258 212 A 36 TRP HZ3 A 14 ARG HGy 1.0 1.8 5.0 259 213 A 48 VAL HA A 51 TYR HBx 1.0 1.8 5.0 260 213 A 48 VAL HA A 51 TYR HBy 1.0 1.8 5.0 261 214 A 10 ILE HG1y A 48 VAL HA 1.0 1.8 5.0 262 215 A 10 ILE HG2% A 48 VAL HA 1.0 1.8 5.0 263 216 A 45 PRO HA A 48 VAL HB 1.0 1.8 6.0 264 217 A 49 MET H A 48 VAL HGx% 1.0 1.8 5.0 265 218 B 6 THR HA A 4 VAL HGx% 1.0 1.8 6.0 266 219 A 48 VAL HA A 48 VAL HGx% 1.0 1.8 3.5 267 220 A 48 VAL H A 48 VAL HGx% 1.0 1.8 5.0 268 221 A 10 ILE HD1% A 48 VAL HGx% 1.0 1.8 5.0 269 222 A 48 VAL HA A 48 VAL HGy% 1.0 1.8 3.5 270 223 A 48 VAL H A 48 VAL HGy% 1.0 1.8 5.0 271 224 A 49 MET H A 49 MET HBx 1.0 1.8 5.0 272 225 A 49 MET HA A 49 MET HGy 1.0 1.8 5.0 273 226 A 49 MET HA A 53 GLU H 1.0 1.8 6.0 274 227 A 49 MET HA A 49 MET HGx 1.0 1.8 5.0 275 228 A 49 MET H A 49 MET HGy 1.0 1.8 5.0 276 229 A 45 PRO HA A 49 MET HBy 1.0 1.8 5.0 277 230 A 10 ILE HG2% A 9 SER HBy 1.0 1.8 6.0 278 231 A 10 ILE HG2% A 9 SER HBx 1.0 1.8 6.0 279 232 A 8 GLU HBx A 9 SER HA 1.0 1.8 5.0 280 233 A 9 SER HA A 25 LYS H 1.0 1.8 6.0 281 234 A 37 GLU HA A 38 PRO HDx 1.0 1.8 5.0 282 235 A 37 GLU HBx A 38 PRO HDx 1.0 1.8 5.0 283 236 A 37 GLU HBx A 38 PRO HDy 1.0 1.8 5.0 284 237 A 37 GLU HA A 38 PRO HDy 1.0 1.8 5.0 285 238 A 36 TRP HH2 A 12 LYS HGx 1.0 1.8 5.0 286 239 A 12 LYS HGx A 12 LYS H 1.0 1.8 6.0 287 240 A 20 VAL HB A 38 PRO HA 1.0 1.8 6.0 288 241 A 8 GLU HBy A 8 GLU H 1.0 1.8 5.0 289 242 A 8 GLU HBy A 9 SER H 1.0 1.8 5.0 290 243 A 8 GLU HBy A 25 LYS HBx 1.0 1.8 6.0 291 244 A 8 GLU HBy A 25 LYS HGx 1.0 1.8 6.0 292 244 A 8 GLU HBy A 25 LYS HGy 1.0 1.8 6.0 293 245 A 8 GLU HA A 27 LYS HGx 1.0 1.8 6.0 294 245 A 27 LYS HGy A 8 GLU HA 1.0 1.8 6.0 295 246 A 8 GLU HA A 8 GLU HGy 1.0 1.8 5.0 296 247 A 8 GLU HA A 8 GLU HGx 1.0 1.8 5.0 297 248 A 8 GLU HA A 27 LYS HEx 1.0 1.8 6.0 298 248 A 27 LYS HEy A 8 GLU HA 1.0 1.8 6.0 299 249 A 27 LYS HGy A 28 GLY HAx 1.0 1.8 6.0 300 249 A 27 LYS HGx A 28 GLY HAx 1.0 1.8 6.0 301 250 A 27 LYS HGy A 28 GLY HAy 1.0 1.8 6.0 302 250 A 28 GLY HAy A 27 LYS HGx 1.0 1.8 6.0 303 251 A 53 GLU HA A 53 GLU HGx 1.0 1.8 5.0 304 252 A 56 GLU H A 54 LYS HBy 1.0 1.8 6.0 305 253 A 56 GLU H A 54 LYS HBx 1.0 1.8 6.0 306 254 A 55 GLU H A 54 LYS HBx 1.0 1.8 5.0 307 255 A 19 LYS HGx A 19 LYS HEx 1.0 1.8 5.0 308 255 A 19 LYS HGx A 19 LYS HEy 1.0 1.8 5.0 309 256 A 54 LYS HA A 54 LYS HDx 1.0 1.8 5.0 310 256 A 54 LYS HA A 54 LYS HDy 1.0 1.8 5.0 311 257 A 12 LYS HBx A 23 LEU HBx 1.0 1.8 5.0 312 258 A 12 LYS HBx A 23 LEU HBy 1.0 1.8 5.0 313 259 A 12 LYS HBy A 12 LYS HEx 1.0 1.8 5.0 314 259 A 12 LYS HBy A 12 LYS HEy 1.0 1.8 5.0 315 260 A 12 LYS HGx A 12 LYS HEx 1.0 1.8 5.0 316 260 A 12 LYS HGx A 12 LYS HEy 1.0 1.8 5.0 317 261 A 12 LYS HGy A 12 LYS HEx 1.0 1.8 5.0 318 261 A 12 LYS HEy A 12 LYS HGy 1.0 1.8 5.0 319 262 A 13 LYS H A 12 LYS HGy 1.0 1.8 5.0 320 263 A 12 LYS HGy A 12 LYS HA 1.0 1.8 5.0 321 264 A 36 TRP HZ2 A 12 LYS HDy 1.0 1.8 5.0 322 265 A 36 TRP HH2 A 12 LYS HDy 1.0 1.8 5.0 323 266 A 35 THR HB A 37 GLU HGx 1.0 1.8 5.0 324 266 A 37 GLU HGy A 35 THR HB 1.0 1.8 5.0 325 267 A 25 LYS H A 10 ILE HA 1.0 1.8 5.0 326 268 A 10 ILE HA A 24 VAL HA 1.0 1.8 5.0 327 269 A 10 ILE HA A 10 ILE HG1x 1.0 1.8 5.0 328 270 A 10 ILE HG1y A 10 ILE HA 1.0 1.8 5.0 329 271 A 10 ILE HG2% A 10 ILE HA 1.0 1.8 3.5 330 272 A 10 ILE HD1% A 22 TYR HE% 1.0 1.8 6.0 331 273 A 10 ILE HD1% A 10 ILE HA 1.0 1.8 5.0 332 274 A 10 ILE HD1% A 48 VAL HA 1.0 1.8 5.0 333 275 A 10 ILE HD1% A 22 TYR HBx 1.0 1.8 5.0 334 276 A 10 ILE HD1% A 10 ILE HB 1.0 1.8 5.0 335 277 A 10 ILE HD1% A 22 TYR HBy 1.0 1.8 5.0 336 278 A 10 ILE HD1% A 48 VAL HGy% 1.0 1.8 5.0 337 279 A 10 ILE HD1% A 10 ILE HG2% 1.0 1.8 3.5 338 280 A 10 ILE HG2% A 22 TYR HBy 1.0 1.8 5.0 339 281 A 10 ILE HG2% A 51 TYR HBx 1.0 1.8 5.0 340 281 A 10 ILE HG2% A 51 TYR HBy 1.0 1.8 5.0 341 282 A 22 TYR HD% A 10 ILE HG2% 1.0 1.8 3.5 342 283 A 22 TYR HE% A 10 ILE HG2% 1.0 1.8 5.0 343 284 A 10 ILE HG2% A 10 ILE HG1x 1.0 1.8 5.0 344 285 A 10 ILE HG2% A 10 ILE HG1y 1.0 1.8 5.0 345 286 A 10 ILE HG1y A 47 LEU HG 1.0 1.8 5.0 346 287 A 10 ILE HG1y A 47 LEU HA 1.0 1.8 6.0 347 288 A 51 TYR HE% A 10 ILE HG1y 1.0 1.8 6.0 348 289 A 51 TYR HE% A 13 LYS HBx 1.0 1.8 5.0 349 290 A 22 TYR HE% A 13 LYS HBx 1.0 1.8 5.0 350 291 A 13 LYS HBx A 13 LYS HEy 1.0 1.8 6.0 351 292 A 13 LYS HBx A 13 LYS HEx 1.0 1.8 6.0 352 293 A 13 LYS HA A 23 LEU H 1.0 1.8 5.0 353 294 A 13 LYS HA A 36 TRP HZ3 1.0 1.8 5.0 354 295 A 13 LYS HA A 13 LYS HGy 1.0 1.8 5.0 355 296 A 13 LYS HGx A 13 LYS HA 1.0 1.8 5.0 356 297 A 10 ILE HG2% A 13 LYS HA 1.0 1.8 5.0 357 298 A 10 ILE HG2% A 13 LYS HDx 1.0 1.8 5.0 358 298 A 13 LYS HDy A 10 ILE HG2% 1.0 1.8 5.0 359 299 A 13 LYS HBy A 13 LYS HDx 1.0 1.8 5.0 360 299 A 13 LYS HDy A 13 LYS HBy 1.0 1.8 5.0 361 300 A 13 LYS HA A 13 LYS HDx 1.0 1.8 5.0 362 300 A 13 LYS HDy A 13 LYS HA 1.0 1.8 5.0 363 301 A 51 TYR HD% A 13 LYS HDx 1.0 1.8 6.0 364 301 A 13 LYS HDy A 51 TYR HD% 1.0 1.8 6.0 365 302 A 51 TYR HE% A 13 LYS HDx 1.0 1.8 5.0 366 302 A 13 LYS HDy A 51 TYR HE% 1.0 1.8 5.0 367 303 A 13 LYS HGy A 14 ARG H 1.0 1.8 5.0 368 304 A 22 TYR HE% A 13 LYS HGy 1.0 1.8 5.0 369 305 A 45 PRO HA A 44 ASP HBx 1.0 1.8 6.0 370 305 A 45 PRO HA A 44 ASP HBy 1.0 1.8 6.0 371 306 B 5 GLN HA A 44 ASP HBx 1.0 1.8 6.0 372 306 A 44 ASP HBy B 5 GLN HA 1.0 1.8 6.0 373 307 A 13 LYS HGy A 13 LYS HEy 1.0 1.8 5.0 374 308 A 13 LYS HGx A 13 LYS HEx 1.0 1.8 5.0 375 309 A 13 LYS HGy A 13 LYS HEx 1.0 1.8 5.0 376 310 A 36 TRP HA A 24 VAL H 1.0 1.8 5.0 377 311 A 36 TRP HA A 23 LEU HA 1.0 1.8 3.5 378 312 A 36 TRP HA A 37 GLU HBy 1.0 1.8 5.0 379 313 A 36 TRP HA A 24 VAL HGy% 1.0 1.8 5.0 380 314 A 35 THR HG2% A 36 TRP HBy 1.0 1.8 6.0 381 315 A 19 LYS HBx A 19 LYS HEx 1.0 1.8 5.0 382 315 A 19 LYS HEy A 19 LYS HBx 1.0 1.8 5.0 383 316 A 19 LYS HBx A 19 LYS H 1.0 1.8 5.0 384 317 A 16 ARG H A 19 LYS HBy 1.0 1.8 5.0 385 318 A 4 VAL HB A 5 PHE H 1.0 1.8 5.0 386 319 A 3 GLN HA A 4 VAL HB 1.0 1.8 6.0 387 320 A 4 VAL HB B 6 THR HB 1.0 1.8 6.0 388 321 A 19 LYS HBy A 19 LYS HEx 1.0 1.8 5.0 389 321 A 19 LYS HEy A 19 LYS HBy 1.0 1.8 5.0 390 322 A 18 GLY HAx A 19 LYS HGy 1.0 1.8 5.0 391 323 A 19 LYS HGy A 19 LYS HA 1.0 1.8 5.0 392 324 A 19 LYS HGx A 19 LYS H 1.0 1.8 5.0 393 325 A 19 LYS H A 19 LYS HDx 1.0 1.8 5.0 394 325 A 19 LYS H A 19 LYS HDy 1.0 1.8 5.0 395 326 A 20 VAL H A 19 LYS HDx 1.0 1.8 5.0 396 326 A 19 LYS HDy A 20 VAL H 1.0 1.8 5.0 397 327 A 12 LYS HBx A 12 LYS HEx 1.0 1.8 5.0 398 327 A 12 LYS HBx A 12 LYS HEy 1.0 1.8 5.0 399 328 A 23 LEU HG A 34 SER HBx 1.0 1.8 5.0 400 329 A 11 ARG HBx A 34 SER HBx 1.0 1.8 6.0 401 330 A 25 LYS HGy A 34 SER HBx 1.0 1.8 6.0 402 330 A 25 LYS HGx A 34 SER HBx 1.0 1.8 6.0 403 331 A 25 LYS HA A 34 SER HBx 1.0 1.8 5.0 404 332 A 25 LYS HA A 34 SER HBy 1.0 1.8 5.0 405 333 A 11 ARG HBx A 34 SER HBy 1.0 1.8 6.0 406 334 A 34 SER HBy A 25 LYS HGx 1.0 1.8 6.0 407 334 A 25 LYS HGy A 34 SER HBy 1.0 1.8 6.0 408 335 A 23 LEU HG A 34 SER HBy 1.0 1.8 5.0 409 336 A 23 LEU HDx% A 34 SER HBy 1.0 1.8 5.0 410 337 A 34 SER HBy A 23 LEU HDy% 1.0 1.8 5.0 411 338 A 35 THR HG2% A 34 SER HA 1.0 1.8 5.0 412 339 A 25 LYS HA A 34 SER HA 1.0 1.8 5.0 413 340 A 34 SER HA A 26 TRP HE1 1.0 1.8 5.0 414 341 A 24 VAL HB A 23 LEU HA 1.0 1.8 6.0 415 342 A 24 VAL HB A 37 GLU HGx 1.0 1.8 5.0 416 342 A 24 VAL HB A 37 GLU HGy 1.0 1.8 5.0 417 343 A 36 TRP HA A 24 VAL HA 1.0 1.8 6.0 418 344 A 24 VAL HGy% A 24 VAL H 1.0 1.8 5.0 419 345 A 24 VAL HGy% A 25 LYS H 1.0 1.8 5.0 420 346 A 26 TRP HZ2 A 24 VAL HGy% 1.0 1.8 5.0 421 347 A 24 VAL HGy% A 24 VAL HA 1.0 1.8 5.0 422 348 A 24 VAL HGy% A 37 GLU HGx 1.0 1.8 5.0 423 348 A 24 VAL HGy% A 37 GLU HGy 1.0 1.8 5.0 424 349 A 24 VAL HGy% A 22 TYR HBy 1.0 1.8 5.0 425 350 A 24 VAL HGy% A 37 GLU HBy 1.0 1.8 5.0 426 351 A 10 ILE HG2% A 22 TYR HBx 1.0 1.8 3.5 427 352 A 22 TYR HBy A 37 GLU HBy 1.0 1.8 6.0 428 353 A 22 TYR HBy A 37 GLU H 1.0 1.8 6.0 429 354 A 40 GLU H A 40 GLU HGx 1.0 1.8 5.0 430 355 A 15 VAL HB A 19 LYS H 1.0 1.8 6.0 431 356 A 15 VAL HA A 15 VAL HGy% 1.0 1.8 3.5 432 357 A 20 VAL HA A 15 VAL HGy% 1.0 1.8 5.0 433 358 A 15 VAL HA A 15 VAL HGx% 1.0 1.8 3.5 434 359 A 19 LYS HA A 19 LYS HDx 1.0 1.8 5.0 435 359 A 19 LYS HA A 19 LYS HDy 1.0 1.8 5.0 436 360 A 25 LYS HA A 25 LYS HDy 1.0 1.8 5.0 437 361 A 25 LYS HBx A 11 ARG HBy 1.0 1.8 5.0 438 362 A 25 LYS HBx A 25 LYS HEx 1.0 1.8 6.0 439 363 A 25 LYS HBx A 25 LYS HEy 1.0 1.8 6.0 440 364 A 25 LYS HBx A 24 VAL HA 1.0 1.8 6.0 441 365 A 11 ARG HA A 25 LYS HBx 1.0 1.8 5.0 442 366 A 9 SER H A 25 LYS HBy 1.0 1.8 5.0 443 367 A 31 PRO HDy A 25 LYS HEx 1.0 1.8 5.0 444 367 A 25 LYS HEx A 31 PRO HDx 1.0 1.8 5.0 445 368 A 31 PRO HA A 25 LYS HEy 1.0 1.8 5.0 446 369 A 31 PRO HDy A 25 LYS HEy 1.0 1.8 5.0 447 369 A 25 LYS HEy A 31 PRO HDx 1.0 1.8 5.0 448 370 A 12 LYS HGy A 11 ARG HDy 1.0 1.8 5.0 449 371 A 25 LYS HA A 25 LYS HDx 1.0 1.8 5.0 450 372 A 20 VAL HA A 15 VAL HA 1.0 1.8 3.5 451 373 A 20 VAL HB A 19 LYS HA 1.0 1.8 5.0 452 374 A 21 GLU H A 20 VAL HGx% 1.0 1.8 5.0 453 375 A 20 VAL HA A 20 VAL HGx% 1.0 1.8 3.5 454 376 A 51 TYR HA A 50 ALA HB% 1.0 1.8 5.0 455 377 A 10 ILE HB A 51 TYR HBx 1.0 1.8 5.0 456 377 A 10 ILE HB A 51 TYR HBy 1.0 1.8 5.0 457 378 A 10 ILE HD1% A 51 TYR HBx 1.0 1.8 5.0 458 378 A 10 ILE HD1% A 51 TYR HBy 1.0 1.8 5.0 459 379 A 10 ILE HG1y A 51 TYR HBx 1.0 1.8 5.0 460 379 A 10 ILE HG1y A 51 TYR HBy 1.0 1.8 5.0 461 380 A 47 LEU HA A 47 LEU HDx% 1.0 1.8 3.5 462 381 A 47 LEU HG A 47 LEU HA 1.0 1.8 5.0 463 382 A 47 LEU H A 47 LEU HDx% 1.0 1.8 5.0 464 383 A 9 SER HA A 47 LEU HDx% 1.0 1.8 5.0 465 384 A 10 ILE HD1% A 47 LEU HDy% 1.0 1.8 5.0 466 385 A 42 ILE HD1% A 47 LEU HDy% 1.0 1.8 3.5 467 386 A 47 LEU HDy% A 47 LEU HBx 1.0 1.8 3.5 468 387 A 47 LEU HDy% A 47 LEU HBy 1.0 1.8 3.5 469 388 A 47 LEU HDy% A 44 ASP HBx 1.0 1.8 5.0 470 388 A 44 ASP HBy A 47 LEU HDy% 1.0 1.8 5.0 471 389 A 47 LEU HDy% A 47 LEU H 1.0 1.8 5.0 472 390 A 42 ILE HG2% A 47 LEU HBx 1.0 1.8 5.0 473 391 A 11 ARG HBx A 23 LEU HG 1.0 1.8 5.0 474 392 A 12 LYS HBy A 11 ARG HBx 1.0 1.8 5.0 475 393 A 11 ARG HBx A 25 LYS HBy 1.0 1.8 5.0 476 394 A 11 ARG HBx A 25 LYS H 1.0 1.8 6.0 477 395 A 25 LYS HGy A 25 LYS HEx 1.0 1.8 5.0 478 395 A 25 LYS HEx A 25 LYS HGx 1.0 1.8 5.0 479 396 A 12 LYS HGy A 11 ARG HDx 1.0 1.8 5.0 480 397 A 11 ARG HA A 11 ARG HDx 1.0 1.8 5.0 481 398 A 11 ARG HA A 11 ARG HDy 1.0 1.8 5.0 482 399 A 25 LYS HGy A 25 LYS HEy 1.0 1.8 5.0 483 399 A 25 LYS HEy A 25 LYS HGx 1.0 1.8 5.0 484 400 A 25 LYS HGy A 11 ARG HGy 1.0 1.8 5.0 485 400 A 11 ARG HGy A 25 LYS HGx 1.0 1.8 5.0 486 401 A 11 ARG HA A 11 ARG HGy 1.0 1.8 5.0 487 402 A 11 ARG H A 11 ARG HGy 1.0 1.8 5.0 488 403 A 25 LYS H A 11 ARG HGx 1.0 1.8 6.0 489 404 A 25 LYS H A 11 ARG HGy 1.0 1.8 6.0 490 405 A 25 LYS HGy A 11 ARG HGx 1.0 1.8 5.0 491 405 A 11 ARG HGx A 25 LYS HGx 1.0 1.8 5.0 492 406 A 21 GLU HA A 22 TYR HBy 1.0 1.8 5.0 493 407 A 36 TRP HBx A 21 GLU HA 1.0 1.8 6.0 494 408 A 21 GLU HA A 39 GLU H 1.0 1.8 5.0 495 409 A 22 TYR HD% A 21 GLU HA 1.0 1.8 5.0 496 410 A 36 TRP HE3 A 21 GLU HA 1.0 1.8 5.0 497 411 A 21 GLU HA A 37 GLU H 1.0 1.8 5.0 498 412 A 14 ARG HGy A 21 GLU HBy 1.0 1.8 5.0 499 413 A 14 ARG HGy A 21 GLU HBx 1.0 1.8 5.0 500 414 A 31 PRO HBy A 32 LYS HA 1.0 1.8 5.0 501 415 A 22 TYR HD% A 13 LYS HEx 1.0 1.8 6.0 502 416 A 33 TYR HD% A 32 LYS HEx 1.0 1.8 5.0 503 416 A 32 LYS HEy A 33 TYR HD% 1.0 1.8 5.0 504 417 A 30 PRO HBy A 32 LYS HEx 1.0 1.8 5.0 505 417 A 32 LYS HEy A 30 PRO HBy 1.0 1.8 5.0 506 418 A 32 LYS HGy A 32 LYS HEx 1.0 1.8 5.0 507 418 A 32 LYS HEy A 32 LYS HGy 1.0 1.8 5.0 508 419 A 32 LYS HEx A 32 LYS HGx 1.0 1.8 5.0 509 419 A 32 LYS HEy A 32 LYS HGx 1.0 1.8 5.0 510 420 A 46 ARG HA A 49 MET HBx 1.0 1.8 5.0 511 421 A 46 ARG HA A 49 MET HBy 1.0 1.8 3.5 512 422 A 46 ARG HA A 46 ARG HGx 1.0 1.8 3.5 513 422 A 46 ARG HA A 46 ARG HGy 1.0 1.8 3.5 514 423 A 46 ARG HA A 49 MET HGy 1.0 1.8 6.0 515 424 A 46 ARG HA A 49 MET HGx 1.0 1.8 6.0 516 425 A 49 MET HA A 52 GLU HBy 1.0 1.8 5.0 517 426 A 46 ARG H A 46 ARG HBx 1.0 1.8 5.0 518 427 A 45 PRO HGy A 46 ARG HGx 1.0 1.8 5.0 519 427 A 45 PRO HGx A 46 ARG HGx 1.0 1.8 5.0 520 427 A 46 ARG HGy A 45 PRO HGx 1.0 1.8 5.0 521 427 A 45 PRO HGy A 46 ARG HGy 1.0 1.8 5.0 522 428 A 46 ARG HGy A 46 ARG HBx 1.0 1.8 3.5 523 428 A 46 ARG HBx A 46 ARG HGx 1.0 1.8 3.5 524 429 A 40 GLU HA A 40 GLU HBx 1.0 1.8 3.5 525 429 A 40 GLU HA A 40 GLU HBy 1.0 1.8 3.5 526 430 A 12 LYS HBy A 23 LEU HBx 1.0 1.8 5.0 527 431 A 26 TRP HBx A 29 TRP HD1 1.0 1.8 5.0 528 432 A 29 TRP HE3 A 33 TYR HBy 1.0 1.8 5.0 529 433 A 29 TRP HE3 A 33 TYR HBx 1.0 1.8 5.0 530 434 A 3 GLN HA A 3 GLN HGx 1.0 1.8 5.0 531 435 A 5 PHE HE% A 3 GLN HGx 1.0 1.8 5.0 532 436 A 5 PHE HE% A 3 GLN HGy 1.0 1.8 5.0 533 437 A 3 GLN HA A 3 GLN HGy 1.0 1.8 5.0 534 438 A 24 VAL HB A 35 THR H 1.0 1.8 5.0 535 439 A 35 THR HG2% A 35 THR H 1.0 1.8 5.0 536 440 A 16 ARG H A 15 VAL HA 1.0 1.8 3.5 537 441 A 11 ARG H A 10 ILE HA 1.0 1.8 3.5 538 442 A 7 VAL HB A 9 SER H 1.0 1.8 5.0 539 443 A 8 GLU HBx A 9 SER H 1.0 1.8 3.5 540 444 A 34 SER HA A 35 THR H 1.0 1.8 3.5 541 445 A 12 LYS H A 10 ILE HA 1.0 1.8 5.0 542 446 A 12 LYS H A 11 ARG HBy 1.0 1.8 5.0 543 447 A 11 ARG HBx A 12 LYS H 1.0 1.8 5.0 544 448 A 12 LYS H A 12 LYS HGy 1.0 1.8 5.0 545 449 A 12 LYS HBy A 12 LYS H 1.0 1.8 5.0 546 450 A 12 LYS H A 23 LEU HBy 1.0 1.8 5.0 547 451 A 34 SER H A 33 TYR HBx 1.0 1.8 5.0 548 452 A 34 SER H A 33 TYR HBy 1.0 1.8 5.0 549 453 A 33 TYR HA A 34 SER H 1.0 1.8 3.5 550 454 A 31 PRO HA A 34 SER H 1.0 1.8 5.0 551 455 A 32 LYS HA A 34 SER H 1.0 1.8 5.0 552 456 A 34 SER H A 34 SER HBy 1.0 1.8 5.0 553 457 A 34 SER H A 34 SER HBx 1.0 1.8 5.0 554 458 A 33 TYR H A 34 SER H 1.0 1.8 3.5 555 459 A 35 THR HG2% A 34 SER H 1.0 1.8 6.0 556 460 A 48 VAL H A 48 VAL HB 1.0 1.8 3.5 557 461 A 42 ILE HG2% A 48 VAL H 1.0 1.8 5.0 558 462 A 48 VAL H A 47 LEU HBy 1.0 1.8 5.0 559 463 A 22 TYR HD% A 22 TYR H 1.0 1.8 5.0 560 464 A 36 TRP HE3 A 22 TYR H 1.0 1.8 5.0 561 465 A 21 GLU HA A 22 TYR H 1.0 1.8 3.5 562 466 A 22 TYR HBx A 22 TYR H 1.0 1.8 5.0 563 467 A 22 TYR HBy A 22 TYR H 1.0 1.8 5.0 564 468 A 22 TYR H A 21 GLU HBy 1.0 1.8 5.0 565 469 A 22 TYR H A 21 GLU HBx 1.0 1.8 5.0 566 470 A 24 VAL HGy% A 22 TYR H 1.0 1.8 5.0 567 471 A 33 TYR H A 32 LYS HGx 1.0 1.8 5.0 568 472 A 33 TYR H A 32 LYS HGy 1.0 1.8 5.0 569 473 A 33 TYR H A 32 LYS HBx 1.0 1.8 5.0 570 474 A 33 TYR H A 32 LYS HBy 1.0 1.8 5.0 571 475 A 33 TYR H A 30 PRO HGx 1.0 1.8 5.0 572 475 A 30 PRO HGy A 33 TYR H 1.0 1.8 5.0 573 476 A 47 LEU H A 47 LEU HBy 1.0 1.8 5.0 574 477 A 47 LEU H A 47 LEU HBx 1.0 1.8 5.0 575 478 A 42 ILE HG2% A 47 LEU H 1.0 1.8 5.0 576 479 A 47 LEU H A 44 ASP HBx 1.0 1.8 5.0 577 479 A 44 ASP HBy A 47 LEU H 1.0 1.8 5.0 578 480 A 45 PRO HA A 47 LEU H 1.0 1.8 5.0 579 481 A 48 VAL H A 47 LEU H 1.0 1.8 3.5 580 482 A 41 HIS H A 42 ILE HG1x 1.0 1.8 5.0 581 482 A 42 ILE HG1y A 41 HIS H 1.0 1.8 5.0 582 483 A 37 GLU HBx A 41 HIS H 1.0 1.8 6.0 583 484 A 41 HIS H A 38 PRO HBy 1.0 1.8 6.0 584 485 A 41 HIS H A 40 GLU HBx 1.0 1.8 5.0 585 485 A 41 HIS H A 40 GLU HBy 1.0 1.8 5.0 586 486 A 22 TYR HD% A 41 HIS H 1.0 1.8 6.0 587 487 A 44 ASP HA A 46 ARG H 1.0 1.8 5.0 588 488 A 46 ARG H A 45 PRO HDx 1.0 1.8 5.0 589 489 A 46 ARG H A 46 ARG HBy 1.0 1.8 5.0 590 490 A 46 ARG H A 46 ARG HGx 1.0 1.8 3.5 591 490 A 46 ARG H A 46 ARG HGy 1.0 1.8 3.5 592 491 A 46 ARG H A 45 PRO HGx 1.0 1.8 5.0 593 491 A 45 PRO HGy A 46 ARG H 1.0 1.8 5.0 594 492 A 40 GLU H A 40 GLU HBx 1.0 1.8 3.5 595 492 A 40 GLU H A 40 GLU HBy 1.0 1.8 3.5 596 493 A 40 GLU H A 38 PRO HBx 1.0 1.8 5.0 597 494 A 40 GLU H A 39 GLU HGy 1.0 1.8 5.0 598 495 A 40 GLU H A 40 GLU HGy 1.0 1.8 5.0 599 496 A 40 GLU H A 38 PRO HBy 1.0 1.8 5.0 600 497 A 40 GLU H A 39 GLU HGx 1.0 1.8 5.0 601 498 A 41 HIS H A 40 GLU H 1.0 1.8 5.0 602 499 A 39 GLU H A 40 GLU H 1.0 1.8 5.0 603 500 A 50 ALA H A 51 TYR H 1.0 1.8 5.0 604 501 A 51 TYR H A 51 TYR HBx 1.0 1.8 3.5 605 501 A 51 TYR HBy A 51 TYR H 1.0 1.8 3.5 606 502 A 48 VAL HA A 51 TYR H 1.0 1.8 5.0 607 503 A 47 LEU HA A 51 TYR H 1.0 1.8 6.0 608 504 A 50 ALA HB% A 51 TYR H 1.0 1.8 5.0 609 505 A 10 ILE HG1y A 51 TYR H 1.0 1.8 5.0 610 506 A 49 MET HBy A 50 ALA H 1.0 1.8 3.5 611 507 A 53 GLU H A 52 GLU HBy 1.0 1.8 5.0 612 508 A 53 GLU H A 53 GLU HBx 1.0 1.8 5.0 613 508 A 53 GLU H A 53 GLU HBy 1.0 1.8 5.0 614 509 A 14 ARG H A 15 VAL H 1.0 1.8 5.0 615 510 A 15 VAL HB A 15 VAL H 1.0 1.8 3.5 616 511 A 14 ARG HBy A 15 VAL H 1.0 1.8 3.5 617 512 A 15 VAL H A 14 ARG HDx 1.0 1.8 6.0 618 512 A 14 ARG HDy A 15 VAL H 1.0 1.8 6.0 619 513 A 14 ARG HGy A 15 VAL H 1.0 1.8 5.0 620 514 A 14 ARG HBx A 15 VAL H 1.0 1.8 5.0 621 515 A 15 VAL H A 15 VAL HGy% 1.0 1.8 5.0 622 516 A 15 VAL H A 14 ARG HGx 1.0 1.8 5.0 623 517 A 15 VAL H A 15 VAL HGx% 1.0 1.8 5.0 624 518 A 49 MET H A 48 VAL HGy% 1.0 1.8 5.0 625 519 A 49 MET H A 48 VAL HB 1.0 1.8 5.0 626 520 A 49 MET H A 49 MET HBy 1.0 1.8 3.5 627 521 A 49 MET H A 49 MET HGx 1.0 1.8 5.0 628 522 A 46 ARG HA A 49 MET H 1.0 1.8 5.0 629 523 A 48 VAL H A 49 MET H 1.0 1.8 3.5 630 524 A 49 MET H A 50 ALA H 1.0 1.8 5.0 631 525 A 48 VAL H A 50 ALA H 1.0 1.8 6.0 632 526 A 49 MET HBx A 50 ALA H 1.0 1.8 5.0 633 527 A 50 ALA HB% A 50 ALA H 1.0 1.8 3.5 634 528 A 42 ILE H A 40 GLU HA 1.0 1.8 5.0 635 529 A 42 ILE H A 42 ILE HB 1.0 1.8 3.5 636 530 A 42 ILE H A 42 ILE HG1x 1.0 1.8 5.0 637 530 A 42 ILE HG1y A 42 ILE H 1.0 1.8 5.0 638 531 A 42 ILE HG2% A 42 ILE H 1.0 1.8 5.0 639 532 A 42 ILE HD1% A 42 ILE H 1.0 1.8 5.0 640 533 A 41 HIS H A 42 ILE H 1.0 1.8 3.5 641 534 A 17 LYS HA A 19 LYS H 1.0 1.8 5.0 642 535 A 19 LYS H A 19 LYS HBy 1.0 1.8 3.5 643 536 A 19 LYS H A 19 LYS HGy 1.0 1.8 5.0 644 537 A 19 LYS H A 18 GLY H 1.0 1.8 3.5 645 538 A 19 LYS H A 20 VAL H 1.0 1.8 5.0 646 539 A 19 LYS H A 16 ARG H 1.0 1.8 3.5 647 540 A 14 ARG H A 21 GLU H 1.0 1.8 5.0 648 541 A 36 TRP HZ3 A 14 ARG H 1.0 1.8 5.0 649 542 A 13 LYS HA A 14 ARG H 1.0 1.8 3.5 650 543 A 20 VAL HA A 14 ARG H 1.0 1.8 6.0 651 544 A 14 ARG HGy A 14 ARG H 1.0 1.8 3.5 652 545 A 13 LYS HGx A 14 ARG H 1.0 1.8 5.0 653 546 A 14 ARG HBx A 14 ARG H 1.0 1.8 5.0 654 547 A 14 ARG HBy A 14 ARG H 1.0 1.8 5.0 655 548 A 13 LYS HBy A 14 ARG H 1.0 1.8 5.0 656 549 A 13 LYS HBx A 14 ARG H 1.0 1.8 5.0 657 550 A 14 ARG H A 13 LYS HDx 1.0 1.8 6.0 658 550 A 13 LYS HDy A 14 ARG H 1.0 1.8 6.0 659 551 A 14 ARG H A 14 ARG HGx 1.0 1.8 5.0 660 552 A 24 VAL HGy% A 37 GLU H 1.0 1.8 5.0 661 553 A 37 GLU HBy A 37 GLU H 1.0 1.8 5.0 662 554 A 37 GLU HBx A 37 GLU H 1.0 1.8 5.0 663 555 A 36 TRP HBx A 37 GLU H 1.0 1.8 5.0 664 556 A 37 GLU H A 37 GLU HGx 1.0 1.8 5.0 665 556 A 37 GLU HGy A 37 GLU H 1.0 1.8 5.0 666 557 A 36 TRP HBy A 37 GLU H 1.0 1.8 5.0 667 558 A 23 LEU HA A 37 GLU H 1.0 1.8 5.0 668 559 A 36 TRP HA A 37 GLU H 1.0 1.8 3.5 669 560 A 36 TRP HE3 A 37 GLU H 1.0 1.8 5.0 670 561 A 23 LEU H A 37 GLU H 1.0 1.8 6.0 671 562 A 37 GLU H A 36 TRP H 1.0 1.8 5.0 672 563 A 24 VAL H A 37 GLU H 1.0 1.8 5.0 673 564 A 15 VAL HB A 16 ARG H 1.0 1.8 5.0 674 565 A 16 ARG H A 16 ARG HBy 1.0 1.8 5.0 675 566 A 16 ARG H A 16 ARG HGy 1.0 1.8 5.0 676 567 A 16 ARG H A 16 ARG HBx 1.0 1.8 5.0 677 568 A 7 VAL HA A 8 GLU H 1.0 1.8 3.5 678 569 A 26 TRP HA A 8 GLU H 1.0 1.8 5.0 679 570 A 8 GLU HBx A 8 GLU H 1.0 1.8 5.0 680 571 A 7 VAL HB A 8 GLU H 1.0 1.8 5.0 681 572 A 8 GLU H A 7 VAL HGy% 1.0 1.8 5.0 682 573 A 8 GLU H A 7 VAL HGx% 1.0 1.8 5.0 683 574 A 20 VAL HB A 21 GLU H 1.0 1.8 5.0 684 575 A 21 GLU H A 20 VAL HGy% 1.0 1.8 5.0 685 576 A 14 ARG HGy A 21 GLU H 1.0 1.8 5.0 686 577 A 20 VAL HA A 21 GLU H 1.0 1.8 3.5 687 578 A 15 VAL HA A 21 GLU H 1.0 1.8 5.0 688 579 A 13 LYS HA A 21 GLU H 1.0 1.8 6.0 689 580 A 22 TYR HA A 21 GLU H 1.0 1.8 6.0 690 581 A 22 TYR HE% A 21 GLU H 1.0 1.8 5.0 691 582 A 52 GLU H A 51 TYR HBx 1.0 1.8 3.5 692 582 A 51 TYR HBy A 52 GLU H 1.0 1.8 3.5 693 583 A 18 GLY H A 17 LYS HGx 1.0 1.8 5.0 694 583 A 17 LYS HGy A 18 GLY H 1.0 1.8 5.0 695 584 A 18 GLY H A 17 LYS HBx 1.0 1.8 6.0 696 585 A 19 LYS HBy A 18 GLY H 1.0 1.8 6.0 697 586 A 18 GLY H A 17 LYS HBy 1.0 1.8 6.0 698 587 A 17 LYS HA A 18 GLY H 1.0 1.8 3.5 699 588 A 40 GLU H A 38 PRO HGx 1.0 1.8 6.0 700 589 A 40 GLU H A 42 ILE HG1x 1.0 1.8 6.0 701 589 A 42 ILE HG1y A 40 GLU H 1.0 1.8 6.0 702 590 A 40 GLU H A 38 PRO HGy 1.0 1.8 6.0 703 591 A 10 ILE HD1% A 51 TYR H 1.0 1.8 6.0 704 592 A 49 MET HBy A 51 TYR H 1.0 1.8 6.0 705 593 A 52 GLU HBy A 51 TYR H 1.0 1.8 6.0 706 594 A 51 TYR HD% A 51 TYR H 1.0 1.8 5.0 707 595 A 49 MET H A 51 TYR H 1.0 1.8 5.0 708 596 A 20 VAL HA A 15 VAL H 1.0 1.8 6.0 709 597 A 49 MET H A 50 ALA HB% 1.0 1.8 5.0 710 598 A 49 MET H A 10 ILE HG1x 1.0 1.8 6.0 711 599 A 10 ILE HD1% A 10 ILE H 1.0 1.8 5.0 712 600 A 10 ILE HG2% A 10 ILE H 1.0 1.8 5.0 713 601 A 10 ILE HG1y A 10 ILE H 1.0 1.8 5.0 714 602 A 10 ILE HG1x A 10 ILE H 1.0 1.8 5.0 715 603 A 10 ILE HB A 10 ILE H 1.0 1.8 3.5 716 604 A 10 ILE H A 51 TYR HBx 1.0 1.8 5.0 717 604 A 51 TYR HBy A 10 ILE H 1.0 1.8 5.0 718 605 A 10 ILE H A 9 SER HBy 1.0 1.8 5.0 719 606 A 10 ILE H A 9 SER HBx 1.0 1.8 5.0 720 607 A 9 SER HA A 10 ILE H 1.0 1.8 3.5 721 608 A 51 TYR HE% A 10 ILE H 1.0 1.8 6.0 722 609 A 11 ARG H A 10 ILE H 1.0 1.8 5.0 723 610 A 39 GLU H A 38 PRO HBy 1.0 1.8 5.0 724 611 A 39 GLU H A 39 GLU HGy 1.0 1.8 5.0 725 612 A 39 GLU H A 38 PRO HBx 1.0 1.8 5.0 726 613 A 20 VAL HB A 39 GLU H 1.0 1.8 5.0 727 614 A 24 VAL HGx% A 9 SER H 1.0 1.8 5.0 728 615 A 9 SER H A 47 LEU HDx% 1.0 1.8 5.0 729 616 A 9 SER H A 25 LYS HBx 1.0 1.8 5.0 730 617 A 25 LYS HA A 9 SER H 1.0 1.8 6.0 731 618 A 26 TRP HA A 9 SER H 1.0 1.8 6.0 732 619 A 25 LYS H A 9 SER H 1.0 1.8 5.0 733 620 A 9 SER H A 10 ILE H 1.0 1.8 5.0 734 621 A 8 GLU H A 9 SER H 1.0 1.8 3.5 735 622 A 53 GLU H A 54 LYS H 1.0 1.8 5.0 736 623 A 29 TRP HD1 A 29 TRP H 1.0 1.8 5.0 737 624 A 29 TRP HE3 A 29 TRP H 1.0 1.8 6.0 738 625 A 53 GLU HA A 54 LYS H 1.0 1.8 3.5 739 626 A 29 TRP H A 30 PRO HDx 1.0 1.8 5.0 740 626 A 30 PRO HDy A 29 TRP H 1.0 1.8 5.0 741 627 A 29 TRP H A 29 TRP HBy 1.0 1.8 5.0 742 628 A 29 TRP H A 29 TRP HBx 1.0 1.8 5.0 743 629 A 26 TRP HBy A 29 TRP H 1.0 1.8 5.0 744 630 A 26 TRP HBx A 29 TRP H 1.0 1.8 5.0 745 631 A 54 LYS H A 54 LYS HGy 1.0 1.8 5.0 746 632 A 54 LYS H A 54 LYS HGx 1.0 1.8 5.0 747 633 A 54 LYS H A 53 GLU HBx 1.0 1.8 5.0 748 633 A 53 GLU HBy A 54 LYS H 1.0 1.8 5.0 749 634 A 54 LYS H A 54 LYS HEx 1.0 1.8 5.0 750 634 A 54 LYS HEy A 54 LYS H 1.0 1.8 5.0 751 635 A 55 GLU H A 55 GLU HGy 1.0 1.8 5.0 752 636 A 55 GLU H A 55 GLU HGx 1.0 1.8 5.0 753 637 A 55 GLU H A 54 LYS HDx 1.0 1.8 5.0 754 637 A 55 GLU H A 54 LYS HDy 1.0 1.8 5.0 755 638 A 55 GLU H A 54 LYS HBy 1.0 1.8 5.0 756 639 A 54 LYS HA A 55 GLU H 1.0 1.8 3.5 757 640 A 55 GLU H A 54 LYS H 1.0 1.8 5.0 758 641 A 56 GLU H A 55 GLU H 1.0 1.8 5.0 759 642 A 13 LYS H A 14 ARG H 1.0 1.8 5.0 760 643 A 36 TRP HH2 A 13 LYS H 1.0 1.8 5.0 761 644 A 13 LYS H A 12 LYS H 1.0 1.8 5.0 762 645 A 13 LYS HBy A 13 LYS H 1.0 1.8 5.0 763 646 A 12 LYS HBy A 13 LYS H 1.0 1.8 5.0 764 647 A 13 LYS H A 12 LYS HGx 1.0 1.8 5.0 765 648 A 13 LYS H A 13 LYS HBx 1.0 1.8 3.5 766 649 A 12 LYS HBx A 13 LYS H 1.0 1.8 3.5 767 650 A 13 LYS H A 14 ARG HDx 1.0 1.8 5.0 768 650 A 13 LYS H A 14 ARG HDy 1.0 1.8 5.0 769 651 A 13 LYS H A 13 LYS HGy 1.0 1.8 5.0 770 652 A 13 LYS HGx A 13 LYS H 1.0 1.8 5.0 771 653 A 35 THR HG2% A 36 TRP H 1.0 1.8 5.0 772 654 A 37 GLU HBy A 36 TRP H 1.0 1.8 6.0 773 655 A 36 TRP HBy A 36 TRP H 1.0 1.8 3.5 774 656 A 36 TRP HBx A 36 TRP H 1.0 1.8 5.0 775 657 A 23 LEU HA A 36 TRP H 1.0 1.8 6.0 776 658 A 35 THR HB A 36 TRP H 1.0 1.8 3.5 777 659 A 36 TRP HD1 A 36 TRP H 1.0 1.8 5.0 778 660 A 35 THR H A 36 TRP H 1.0 1.8 5.0 779 661 A 36 TRP H A 36 TRP HE1 1.0 1.8 6.0 780 662 A 11 ARG H A 24 VAL HA 1.0 1.8 5.0 781 663 A 10 ILE HB A 11 ARG H 1.0 1.8 5.0 782 664 A 11 ARG H A 11 ARG HGx 1.0 1.8 5.0 783 665 A 11 ARG H A 11 ARG HBx 1.0 1.8 3.5 784 666 A 11 ARG H A 11 ARG HBy 1.0 1.8 5.0 785 667 A 10 ILE HG1y A 11 ARG H 1.0 1.8 6.0 786 668 A 10 ILE HG2% A 11 ARG H 1.0 1.8 3.5 787 669 A 11 ARG H A 23 LEU HG 1.0 1.8 6.0 788 670 A 10 ILE HD1% A 11 ARG H 1.0 1.8 5.0 789 671 A 11 ARG H A 23 LEU HDy% 1.0 1.8 6.0 790 672 A 14 ARG H A 14 ARG HDx 1.0 1.8 5.0 791 672 A 14 ARG HDy A 14 ARG H 1.0 1.8 5.0 792 673 A 21 GLU HA A 14 ARG H 1.0 1.8 6.0 793 674 A 22 TYR HD% A 14 ARG H 1.0 1.8 5.0 794 675 A 36 TRP HE3 A 14 ARG H 1.0 1.8 6.0 795 676 A 20 VAL H A 20 VAL HGx% 1.0 1.8 5.0 796 677 A 20 VAL H A 15 VAL HGx% 1.0 1.8 6.0 797 678 A 20 VAL H A 15 VAL HGy% 1.0 1.8 6.0 798 679 A 20 VAL H A 20 VAL HGy% 1.0 1.8 5.0 799 680 A 19 LYS HGy A 20 VAL H 1.0 1.8 5.0 800 681 A 19 LYS HGx A 20 VAL H 1.0 1.8 6.0 801 682 A 20 VAL HB A 20 VAL H 1.0 1.8 3.5 802 683 A 19 LYS HBx A 20 VAL H 1.0 1.8 5.0 803 684 A 19 LYS HA A 20 VAL H 1.0 1.8 2.7 804 685 A 20 VAL H A 21 GLU H 1.0 1.8 5.0 805 686 A 26 TRP HE1 A 35 THR H 1.0 1.8 5.0 806 687 A 24 VAL H A 35 THR H 1.0 1.8 5.0 807 688 A 35 THR H A 34 SER H 1.0 1.8 5.0 808 689 A 26 TRP HD1 A 35 THR H 1.0 1.8 5.0 809 690 A 25 LYS HA A 35 THR H 1.0 1.8 6.0 810 691 A 23 LEU HA A 35 THR H 1.0 1.8 6.0 811 692 A 23 LEU HG A 35 THR H 1.0 1.8 6.0 812 693 A 24 VAL HGy% A 35 THR H 1.0 1.8 5.0 813 694 A 26 TRP HBy A 35 THR H 1.0 1.8 6.0 814 695 A 24 VAL HGx% A 25 LYS H 1.0 1.8 5.0 815 696 A 10 ILE HD1% A 25 LYS H 1.0 1.8 6.0 816 697 A 25 LYS H A 7 VAL HGy% 1.0 1.8 6.0 817 698 A 10 ILE HG2% A 25 LYS H 1.0 1.8 6.0 818 699 A 25 LYS H A 7 VAL HGx% 1.0 1.8 6.0 819 700 A 25 LYS H A 47 LEU HDx% 1.0 1.8 6.0 820 701 A 25 LYS H A 25 LYS HBx 1.0 1.8 3.5 821 702 A 24 VAL HB A 25 LYS H 1.0 1.8 5.0 822 703 A 25 LYS H A 25 LYS HBy 1.0 1.8 3.5 823 704 A 25 LYS H A 24 VAL HA 1.0 1.8 3.5 824 705 A 11 ARG H A 25 LYS H 1.0 1.8 5.0 825 706 A 23 LEU H A 22 TYR H 1.0 1.8 5.0 826 707 A 11 ARG H A 23 LEU H 1.0 1.8 5.0 827 708 A 36 TRP HE3 A 23 LEU H 1.0 1.8 5.0 828 709 A 22 TYR HD% A 23 LEU H 1.0 1.8 5.0 829 710 A 36 TRP HZ3 A 23 LEU H 1.0 1.8 5.0 830 711 A 22 TYR HA A 23 LEU H 1.0 1.8 3.5 831 712 A 22 TYR HBx A 23 LEU H 1.0 1.8 5.0 832 713 A 22 TYR HBy A 23 LEU H 1.0 1.8 5.0 833 714 A 12 LYS HBx A 23 LEU H 1.0 1.8 5.0 834 715 A 12 LYS HBy A 23 LEU H 1.0 1.8 5.0 835 716 A 23 LEU H A 23 LEU HBy 1.0 1.8 5.0 836 717 A 11 ARG HBx A 23 LEU H 1.0 1.8 5.0 837 718 A 10 ILE HG2% A 23 LEU H 1.0 1.8 5.0 838 719 A 23 LEU H A 23 LEU HDx% 1.0 1.8 5.0 839 720 A 23 LEU H A 23 LEU HG 1.0 1.8 5.0 840 721 A 23 LEU H A 23 LEU HDy% 1.0 1.8 5.0 841 722 A 23 LEU H A 23 LEU HBx 1.0 1.8 5.0 842 723 A 56 GLU H A 56 GLU HBx 1.0 1.8 5.0 843 724 A 56 GLU H A 56 GLU HBy 1.0 1.8 5.0 844 725 A 56 GLU H A 55 GLU HA 1.0 1.8 3.5 845 726 A 16 ARG H A 18 GLY H 1.0 1.8 5.0 846 727 A 16 ARG H A 15 VAL H 1.0 1.8 5.0 847 728 A 16 ARG H A 20 VAL H 1.0 1.8 6.0 848 729 A 20 VAL HA A 16 ARG H 1.0 1.8 5.0 849 730 A 19 LYS HBx A 16 ARG H 1.0 1.8 5.0 850 731 A 16 ARG H A 15 VAL HGx% 1.0 1.8 5.0 851 732 A 16 ARG H A 15 VAL HGy% 1.0 1.8 5.0 852 733 A 16 ARG H A 16 ARG HGx 1.0 1.8 5.0 853 734 A 26 TRP H A 25 LYS HDy 1.0 1.8 5.0 854 735 A 26 TRP H A 25 LYS HDx 1.0 1.8 5.0 855 736 A 25 LYS HBx A 26 TRP H 1.0 1.8 6.0 856 737 A 26 TRP H A 25 LYS HGx 1.0 1.8 6.0 857 737 A 25 LYS HGy A 26 TRP H 1.0 1.8 6.0 858 738 A 26 TRP HBy A 26 TRP H 1.0 1.8 5.0 859 739 A 25 LYS HA A 26 TRP H 1.0 1.8 3.5 860 740 A 34 SER HA A 26 TRP H 1.0 1.8 5.0 861 741 A 26 TRP HD1 A 26 TRP H 1.0 1.8 5.0 862 742 A 25 LYS H A 26 TRP H 1.0 1.8 6.0 863 743 A 35 THR H A 26 TRP H 1.0 1.8 6.0 864 744 A 8 GLU H A 27 LYS HGx 1.0 1.8 6.0 865 744 A 27 LYS HGy A 8 GLU H 1.0 1.8 6.0 866 745 A 50 ALA HB% A 52 GLU H 1.0 1.8 6.0 867 746 A 52 GLU HBy A 52 GLU H 1.0 1.8 3.5 868 747 A 49 MET HBx A 52 GLU H 1.0 1.8 6.0 869 748 A 52 GLU H A 52 GLU HGx 1.0 1.8 5.0 870 749 A 52 GLU H A 52 GLU HGy 1.0 1.8 5.0 871 750 A 48 VAL HA A 52 GLU H 1.0 1.8 6.0 872 751 A 49 MET HA A 52 GLU H 1.0 1.8 5.0 873 752 A 51 TYR H A 52 GLU H 1.0 1.8 3.5 874 753 A 51 TYR HD% A 52 GLU H 1.0 1.8 5.0 875 754 A 53 GLU H A 52 GLU H 1.0 1.8 3.5 876 755 A 46 ARG HA A 48 VAL H 1.0 1.8 5.0 877 756 A 48 VAL H A 47 LEU HBx 1.0 1.8 5.0 878 757 A 12 LYS H A 23 LEU HBx 1.0 1.8 5.0 879 758 A 12 LYS H A 23 LEU HDy% 1.0 1.8 5.0 880 759 A 12 LYS H A 23 LEU HG 1.0 1.8 5.0 881 760 A 10 ILE HG2% A 12 LYS H 1.0 1.8 3.5 882 761 A 12 LYS H A 23 LEU HDx% 1.0 1.8 5.0 883 762 A 22 TYR HBx A 12 LYS H 1.0 1.8 6.0 884 763 A 23 LEU HA A 12 LYS H 1.0 1.8 5.0 885 764 A 13 LYS HA A 12 LYS H 1.0 1.8 6.0 886 765 A 22 TYR HA A 12 LYS H 1.0 1.8 6.0 887 766 A 36 TRP HH2 A 12 LYS H 1.0 1.8 6.0 888 767 A 51 TYR HE% A 12 LYS H 1.0 1.8 6.0 889 768 A 12 LYS H A 23 LEU H 1.0 1.8 3.5 890 769 A 11 ARG H A 12 LYS H 1.0 1.8 3.5 891 770 A 22 TYR HE% A 22 TYR H 1.0 1.8 6.0 892 771 A 36 TRP HZ3 A 22 TYR H 1.0 1.8 6.0 893 772 A 39 GLU H A 22 TYR H 1.0 1.8 6.0 894 773 A 37 GLU H A 22 TYR H 1.0 1.8 5.0 895 774 A 33 TYR HD% A 33 TYR H 1.0 1.8 5.0 896 775 A 33 TYR H A 32 LYS HA 1.0 1.8 5.0 897 776 A 33 TYR H A 30 PRO HDx 1.0 1.8 5.0 898 776 A 30 PRO HDy A 33 TYR H 1.0 1.8 5.0 899 777 A 33 TYR H A 31 PRO HDx 1.0 1.8 6.0 900 777 A 31 PRO HDy A 33 TYR H 1.0 1.8 6.0 901 778 A 33 TYR H A 33 TYR HBy 1.0 1.8 5.0 902 779 A 33 TYR H A 33 TYR HBx 1.0 1.8 5.0 903 780 A 47 LEU H A 45 PRO HGx 1.0 1.8 5.0 904 780 A 45 PRO HGy A 47 LEU H 1.0 1.8 5.0 905 781 A 46 ARG H A 47 LEU H 1.0 1.8 3.5 906 782 A 41 HIS H A 38 PRO HBx 1.0 1.8 6.0 907 783 A 5 PHE HD% A 5 PHE H 1.0 1.8 6.0 908 784 A 5 PHE H A 26 TRP HZ3 1.0 1.8 6.0 909 785 A 24 VAL H A 23 LEU HG 1.0 1.8 5.0 910 786 A 24 VAL HB A 24 VAL H 1.0 1.8 5.0 911 787 A 24 VAL H A 23 LEU H 1.0 1.8 6.0 912 788 A 24 VAL H A 25 LYS H 1.0 1.8 6.0 913 789 A 6 ALA H A 5 PHE HBy 1.0 1.8 5.0 914 790 A 6 ALA H A 5 PHE HBx 1.0 1.8 5.0 915 791 A 6 ALA HB% A 6 ALA H 1.0 1.8 3.5 916 792 A 33 TYR HE% A 33 TYR H 1.0 1.8 6.0 917 793 A 36 TRP HE1 A 23 LEU HDy% 1.0 1.8 5.0 918 794 A 36 TRP HE1 A 23 LEU HDx% 1.0 1.8 5.0 919 795 A 36 TRP HBy A 36 TRP HE1 1.0 1.8 5.0 920 796 A 35 THR HG2% A 26 TRP HE1 1.0 1.8 5.0 921 797 A 24 VAL HB A 26 TRP HE1 1.0 1.8 6.0 922 798 A 6 ALA HB% B 6 THR HG2% 1.0 1.8 5.0 923 799 B 6 THR HG2% A 4 VAL HGx% 1.0 1.8 5.0 924 800 B 7 ALA HB% A 43 LEU HDx% 1.0 1.8 5.0 925 801 B 8 ARG HDy A 43 LEU HDy% 1.0 1.8 6.0 926 801 A 43 LEU HDy% B 8 ARG HDx 1.0 1.8 6.0 927 802 A 47 LEU HDy% B 5 GLN HA 1.0 1.8 5.0 928 803 A 24 VAL HGx% A 8 GLU HBx 1.0 1.8 6.0 929 804 B 7 ALA HB% A 7 VAL HGx% 1.0 1.8 5.0 930 805 B 6 THR HA A 43 LEU HDx% 1.0 1.8 6.0 931 806 B 8 ARG HDy A 43 LEU HDx% 1.0 1.8 6.0 932 806 A 43 LEU HDx% B 8 ARG HDx 1.0 1.8 6.0 933 807 B 7 ALA HB% A 24 VAL HGx% 1.0 1.8 5.0 934 808 B 8 ARG HGy A 4 VAL HGx% 1.0 1.8 5.0 935 808 A 4 VAL HGx% B 8 ARG HGx 1.0 1.8 5.0 936 809 B 6 THR HA A 4 VAL HB 1.0 1.8 5.0 937 810 A 6 ALA HB% B 6 THR HA 1.0 1.8 6.0 938 811 B 6 THR HA A 43 LEU HDy% 1.0 1.8 6.0 939 812 B 6 THR HG2% A 4 VAL HGy% 1.0 1.8 5.0 940 813 B 8 ARG HGy A 4 VAL HGy% 1.0 1.8 5.0 941 813 A 4 VAL HGy% B 8 ARG HGx 1.0 1.8 5.0 942 814 A 4 VAL HB B 6 THR HG2% 1.0 1.8 5.0 943 815 B 7 ALA HB% A 7 VAL HGy% 1.0 1.8 5.0 944 816 B 7 ALA HB% A 10 ILE HD1% 1.0 1.8 5.0 945 817 B 7 ALA HB% A 24 VAL HGy% 1.0 1.8 5.0 946 818 B 7 ALA HB% A 42 ILE HA 1.0 1.8 5.0 947 819 B 7 ALA HB% A 42 ILE HD1% 1.0 1.8 3.5 948 820 A 47 LEU HDx% B 5 GLN HGy 1.0 1.8 5.0 949 821 A 47 LEU HDx% B 5 GLN HGx 1.0 1.8 5.0 950 822 A 47 LEU HDx% B 7 ALA HA 1.0 1.8 6.0 951 823 B 7 ALA HB% A 47 LEU HDy% 1.0 1.8 5.0 952 824 B 7 ALA HB% A 43 LEU HDy% 1.0 1.8 5.0 953 825 A 26 TRP HZ2 A 35 THR HB 1.0 1.8 5.0 954 826 A 26 TRP HZ2 A 35 THR H 1.0 1.8 5.0 955 827 A 26 TRP HZ2 B 7 ALA HB% 1.0 1.8 5.0 956 828 B 7 ALA HB% A 26 TRP HZ3 1.0 1.8 5.0 957 829 B 7 ALA HB% A 26 TRP HH2 1.0 1.8 3.5 958 830 A 6 ALA H B 6 THR HG2% 1.0 1.8 5.0 959 831 A 3 GLN HA A 4 VAL HGy% 1.0 1.8 5.0 960 831 A 3 GLN HA A 4 VAL HGx% 1.0 1.8 5.0 961 832 A 3 GLN HBx A 4 VAL HGy% 1.0 1.8 5.0 962 832 A 3 GLN HBy A 4 VAL HGy% 1.0 1.8 5.0 963 832 A 4 VAL HGx% A 3 GLN HBy 1.0 1.8 5.0 964 832 A 4 VAL HGx% A 3 GLN HBx 1.0 1.8 5.0 965 833 A 4 VAL H A 4 VAL HGy% 1.0 1.8 5.0 966 833 A 4 VAL H A 4 VAL HGx% 1.0 1.8 5.0 967 834 A 5 PHE H A 4 VAL HGy% 1.0 1.8 5.0 968 834 A 5 PHE H A 4 VAL HGx% 1.0 1.8 5.0 969 835 A 6 ALA H A 4 VAL HGy% 1.0 1.8 6.0 970 835 A 6 ALA H A 4 VAL HGx% 1.0 1.8 6.0 971 836 B 6 THR HA A 4 VAL HGy% 1.0 1.8 5.0 972 836 B 6 THR HA A 4 VAL HGx% 1.0 1.8 5.0 973 837 B 6 THR HB A 4 VAL HGy% 1.0 1.8 5.0 974 837 B 6 THR HB A 4 VAL HGx% 1.0 1.8 5.0 975 838 B 6 THR HG2% A 4 VAL HGy% 1.0 1.8 3.5 976 838 B 6 THR HG2% A 4 VAL HGx% 1.0 1.8 3.5 977 839 B 8 ARG HA A 4 VAL HGy% 1.0 1.8 5.0 978 839 A 4 VAL HGx% B 8 ARG HA 1.0 1.8 5.0 979 840 A 4 VAL HGy% B 8 ARG HGx 1.0 1.8 5.0 980 840 A 4 VAL HGx% B 8 ARG HGx 1.0 1.8 5.0 981 840 B 8 ARG HGy A 4 VAL HGy% 1.0 1.8 5.0 982 840 B 8 ARG HGy A 4 VAL HGx% 1.0 1.8 5.0 983 841 A 4 VAL HGx% B 8 ARG HDx 1.0 1.8 5.0 984 841 A 4 VAL HGy% B 8 ARG HDx 1.0 1.8 5.0 985 841 B 8 ARG HDy A 4 VAL HGy% 1.0 1.8 5.0 986 841 B 8 ARG HDy A 4 VAL HGx% 1.0 1.8 5.0 987 842 A 6 ALA H A 5 PHE HBx 1.0 1.8 5.0 988 842 A 6 ALA H A 5 PHE HBy 1.0 1.8 5.0 989 843 A 26 TRP HE3 A 5 PHE HBx 1.0 1.8 5.0 990 843 A 26 TRP HE3 A 5 PHE HBy 1.0 1.8 5.0 991 844 A 26 TRP HZ3 A 5 PHE HBx 1.0 1.8 3.5 992 844 A 26 TRP HZ3 A 5 PHE HBy 1.0 1.8 3.5 993 845 A 7 VAL HA A 27 LYS HBy 1.0 1.8 6.0 994 845 A 7 VAL HA A 27 LYS HBx 1.0 1.8 6.0 995 846 A 8 GLU H A 7 VAL HGy% 1.0 1.8 5.0 996 846 A 8 GLU H A 7 VAL HGx% 1.0 1.8 5.0 997 847 A 8 GLU HA A 7 VAL HGy% 1.0 1.8 5.0 998 847 A 8 GLU HA A 7 VAL HGx% 1.0 1.8 5.0 999 848 A 9 SER H A 7 VAL HGy% 1.0 1.8 5.0 1000 848 A 9 SER H A 7 VAL HGx% 1.0 1.8 5.0 1001 849 A 9 SER HA A 7 VAL HGy% 1.0 1.8 5.0 1002 849 A 9 SER HA A 7 VAL HGx% 1.0 1.8 5.0 1003 850 A 7 VAL HGy% A 9 SER HBx 1.0 1.8 5.0 1004 850 A 7 VAL HGx% A 9 SER HBx 1.0 1.8 5.0 1005 850 A 9 SER HBy A 7 VAL HGy% 1.0 1.8 5.0 1006 850 A 7 VAL HGx% A 9 SER HBy 1.0 1.8 5.0 1007 851 A 24 VAL HGx% A 7 VAL HGy% 1.0 1.8 3.5 1008 851 A 24 VAL HGx% A 7 VAL HGx% 1.0 1.8 3.5 1009 852 A 25 LYS H A 7 VAL HGy% 1.0 1.8 5.0 1010 852 A 25 LYS H A 7 VAL HGx% 1.0 1.8 5.0 1011 853 A 26 TRP HE3 A 7 VAL HGy% 1.0 1.8 5.0 1012 853 A 26 TRP HE3 A 7 VAL HGx% 1.0 1.8 5.0 1013 854 A 26 TRP HZ3 A 7 VAL HGy% 1.0 1.8 5.0 1014 854 A 26 TRP HZ3 A 7 VAL HGx% 1.0 1.8 5.0 1015 855 A 26 TRP HH2 A 7 VAL HGy% 1.0 1.8 5.0 1016 855 A 26 TRP HH2 A 7 VAL HGx% 1.0 1.8 5.0 1017 856 A 47 LEU HDx% A 7 VAL HGy% 1.0 1.8 3.5 1018 856 A 47 LEU HDx% A 7 VAL HGx% 1.0 1.8 3.5 1019 857 B 5 GLN HA A 7 VAL HGy% 1.0 1.8 6.0 1020 857 B 5 GLN HA A 7 VAL HGx% 1.0 1.8 6.0 1021 858 A 7 VAL HGx% B 5 GLN HGy 1.0 1.8 5.0 1022 858 A 7 VAL HGy% B 5 GLN HGy 1.0 1.8 5.0 1023 858 B 5 GLN HGx A 7 VAL HGy% 1.0 1.8 5.0 1024 858 A 7 VAL HGx% B 5 GLN HGx 1.0 1.8 5.0 1025 859 B 6 THR HB A 7 VAL HGy% 1.0 1.8 6.0 1026 859 B 6 THR HB A 7 VAL HGx% 1.0 1.8 6.0 1027 860 B 6 THR HG2% A 7 VAL HGy% 1.0 1.8 5.0 1028 860 B 6 THR HG2% A 7 VAL HGx% 1.0 1.8 5.0 1029 861 B 7 ALA HB% A 7 VAL HGy% 1.0 1.8 2.7 1030 861 B 7 ALA HB% A 7 VAL HGx% 1.0 1.8 2.7 1031 862 A 8 GLU H A 27 LYS HBy 1.0 1.8 5.0 1032 862 A 8 GLU H A 27 LYS HBx 1.0 1.8 5.0 1033 863 A 8 GLU HA A 8 GLU HGy 1.0 1.8 3.5 1034 863 A 8 GLU HA A 8 GLU HGx 1.0 1.8 3.5 1035 864 A 8 GLU HA A 27 LYS HBy 1.0 1.8 5.0 1036 864 A 8 GLU HA A 27 LYS HBx 1.0 1.8 5.0 1037 865 A 8 GLU HBy A 27 LYS HBy 1.0 1.8 5.0 1038 865 A 8 GLU HBy A 27 LYS HBx 1.0 1.8 5.0 1039 866 A 8 GLU HBx A 9 SER HBx 1.0 1.8 5.0 1040 866 A 8 GLU HBx A 9 SER HBy 1.0 1.8 5.0 1041 867 A 9 SER H A 8 GLU HGy 1.0 1.8 3.5 1042 867 A 9 SER H A 8 GLU HGx 1.0 1.8 3.5 1043 868 A 9 SER HA A 8 GLU HGy 1.0 1.8 5.0 1044 868 A 9 SER HA A 8 GLU HGx 1.0 1.8 5.0 1045 869 A 8 GLU HGy A 9 SER HBx 1.0 1.8 5.0 1046 869 A 8 GLU HGx A 9 SER HBx 1.0 1.8 5.0 1047 869 A 9 SER HBy A 8 GLU HGy 1.0 1.8 5.0 1048 869 A 9 SER HBy A 8 GLU HGx 1.0 1.8 5.0 1049 870 A 8 GLU HGx A 27 LYS HBy 1.0 1.8 6.0 1050 870 A 8 GLU HGy A 27 LYS HBy 1.0 1.8 6.0 1051 870 A 27 LYS HBx A 8 GLU HGy 1.0 1.8 6.0 1052 870 A 27 LYS HBx A 8 GLU HGx 1.0 1.8 6.0 1053 871 A 9 SER H A 9 SER HBx 1.0 1.8 5.0 1054 871 A 9 SER H A 9 SER HBy 1.0 1.8 5.0 1055 872 A 10 ILE H A 9 SER HBx 1.0 1.8 3.5 1056 872 A 10 ILE H A 9 SER HBy 1.0 1.8 3.5 1057 873 A 25 LYS HBx A 9 SER HBx 1.0 1.8 6.0 1058 873 A 25 LYS HBx A 9 SER HBy 1.0 1.8 6.0 1059 874 A 10 ILE HB A 48 VAL HGy% 1.0 1.8 5.0 1060 874 A 10 ILE HB A 48 VAL HGx% 1.0 1.8 5.0 1061 875 A 10 ILE HG2% A 48 VAL HGy% 1.0 1.8 5.0 1062 875 A 10 ILE HG2% A 48 VAL HGx% 1.0 1.8 5.0 1063 876 A 10 ILE HG1x A 48 VAL HGy% 1.0 1.8 3.5 1064 876 A 10 ILE HG1x A 48 VAL HGx% 1.0 1.8 3.5 1065 877 A 10 ILE HD1% A 47 LEU HBx 1.0 1.8 5.0 1066 877 A 10 ILE HD1% A 47 LEU HBy 1.0 1.8 5.0 1067 878 A 11 ARG H A 11 ARG HGx 1.0 1.8 5.0 1068 878 A 11 ARG H A 11 ARG HGy 1.0 1.8 5.0 1069 879 A 11 ARG H A 11 ARG HDx 1.0 1.8 6.0 1070 879 A 11 ARG H A 11 ARG HDy 1.0 1.8 6.0 1071 880 A 11 ARG H A 23 LEU HBx 1.0 1.8 5.0 1072 880 A 11 ARG H A 23 LEU HBy 1.0 1.8 5.0 1073 881 A 11 ARG H A 23 LEU HDy% 1.0 1.8 5.0 1074 881 A 11 ARG H A 23 LEU HDx% 1.0 1.8 5.0 1075 882 A 11 ARG HA A 11 ARG HGx 1.0 1.8 3.5 1076 882 A 11 ARG HA A 11 ARG HGy 1.0 1.8 3.5 1077 883 A 11 ARG HA A 11 ARG HDx 1.0 1.8 5.0 1078 883 A 11 ARG HA A 11 ARG HDy 1.0 1.8 5.0 1079 884 A 11 ARG HBy A 23 LEU HBx 1.0 1.8 5.0 1080 884 A 11 ARG HBy A 23 LEU HBy 1.0 1.8 5.0 1081 885 A 11 ARG HBy A 23 LEU HDy% 1.0 1.8 5.0 1082 885 A 11 ARG HBy A 23 LEU HDx% 1.0 1.8 5.0 1083 886 A 11 ARG HBx A 11 ARG HDx 1.0 1.8 5.0 1084 886 A 11 ARG HBx A 11 ARG HDy 1.0 1.8 5.0 1085 887 A 11 ARG HBx A 23 LEU HBx 1.0 1.8 5.0 1086 887 A 11 ARG HBx A 23 LEU HBy 1.0 1.8 5.0 1087 888 A 11 ARG HBx A 23 LEU HDy% 1.0 1.8 5.0 1088 888 A 11 ARG HBx A 23 LEU HDx% 1.0 1.8 5.0 1089 889 A 11 ARG HGx A 23 LEU HDy% 1.0 1.8 5.0 1090 889 A 11 ARG HGy A 23 LEU HDy% 1.0 1.8 5.0 1091 889 A 23 LEU HDx% A 11 ARG HGx 1.0 1.8 5.0 1092 889 A 11 ARG HGy A 23 LEU HDx% 1.0 1.8 5.0 1093 890 A 25 LYS H A 11 ARG HGx 1.0 1.8 5.0 1094 890 A 25 LYS H A 11 ARG HGy 1.0 1.8 5.0 1095 891 A 12 LYS HGy A 11 ARG HDx 1.0 1.8 5.0 1096 891 A 12 LYS HGy A 11 ARG HDy 1.0 1.8 5.0 1097 892 A 11 ARG HDy A 12 LYS HDx 1.0 1.8 5.0 1098 892 A 11 ARG HDx A 12 LYS HDx 1.0 1.8 5.0 1099 892 A 12 LYS HDy A 11 ARG HDx 1.0 1.8 5.0 1100 892 A 11 ARG HDy A 12 LYS HDy 1.0 1.8 5.0 1101 893 A 23 LEU HG A 11 ARG HDx 1.0 1.8 6.0 1102 893 A 23 LEU HG A 11 ARG HDy 1.0 1.8 6.0 1103 894 A 11 ARG HDy A 23 LEU HDy% 1.0 1.8 5.0 1104 894 A 11 ARG HDx A 23 LEU HDy% 1.0 1.8 5.0 1105 894 A 23 LEU HDx% A 11 ARG HDx 1.0 1.8 5.0 1106 894 A 11 ARG HDy A 23 LEU HDx% 1.0 1.8 5.0 1107 895 A 12 LYS H A 23 LEU HBx 1.0 1.8 3.5 1108 895 A 12 LYS H A 23 LEU HBy 1.0 1.8 3.5 1109 896 A 12 LYS H A 23 LEU HDy% 1.0 1.8 5.0 1110 896 A 12 LYS H A 23 LEU HDx% 1.0 1.8 5.0 1111 897 A 12 LYS HBy A 12 LYS HDx 1.0 1.8 5.0 1112 897 A 12 LYS HBy A 12 LYS HDy 1.0 1.8 5.0 1113 898 A 12 LYS HBy A 23 LEU HBx 1.0 1.8 5.0 1114 898 A 12 LYS HBy A 23 LEU HBy 1.0 1.8 5.0 1115 899 A 12 LYS HBy A 23 LEU HDy% 1.0 1.8 5.0 1116 899 A 12 LYS HBy A 23 LEU HDx% 1.0 1.8 5.0 1117 900 A 12 LYS HBx A 23 LEU HBx 1.0 1.8 5.0 1118 900 A 12 LYS HBx A 23 LEU HBy 1.0 1.8 5.0 1119 901 A 12 LYS HBx A 23 LEU HDy% 1.0 1.8 5.0 1120 901 A 12 LYS HBx A 23 LEU HDx% 1.0 1.8 5.0 1121 902 A 12 LYS HGx A 23 LEU HDy% 1.0 1.8 5.0 1122 902 A 12 LYS HGx A 23 LEU HDx% 1.0 1.8 5.0 1123 903 A 12 LYS HGy A 23 LEU HDy% 1.0 1.8 5.0 1124 903 A 12 LYS HGy A 23 LEU HDx% 1.0 1.8 5.0 1125 904 A 12 LYS HDx A 23 LEU HDy% 1.0 1.8 5.0 1126 904 A 23 LEU HDx% A 12 LYS HDx 1.0 1.8 5.0 1127 904 A 23 LEU HDx% A 12 LYS HDy 1.0 1.8 5.0 1128 904 A 12 LYS HDy A 23 LEU HDy% 1.0 1.8 5.0 1129 905 A 36 TRP HZ2 A 12 LYS HDx 1.0 1.8 5.0 1130 905 A 36 TRP HZ2 A 12 LYS HDy 1.0 1.8 5.0 1131 906 A 36 TRP HH2 A 12 LYS HDx 1.0 1.8 5.0 1132 906 A 36 TRP HH2 A 12 LYS HDy 1.0 1.8 5.0 1133 907 A 12 LYS HEx A 23 LEU HDy% 1.0 1.8 5.0 1134 907 A 12 LYS HEy A 23 LEU HDy% 1.0 1.8 5.0 1135 907 A 23 LEU HDx% A 12 LYS HEx 1.0 1.8 5.0 1136 907 A 12 LYS HEy A 23 LEU HDx% 1.0 1.8 5.0 1137 908 A 13 LYS HBy A 13 LYS HEx 1.0 1.8 5.0 1138 908 A 13 LYS HBy A 13 LYS HEy 1.0 1.8 5.0 1139 909 A 13 LYS HGy A 13 LYS HEx 1.0 1.8 3.5 1140 909 A 13 LYS HGy A 13 LYS HEy 1.0 1.8 3.5 1141 910 A 13 LYS HGy A 20 VAL HGy% 1.0 1.8 6.0 1142 910 A 13 LYS HGy A 20 VAL HGx% 1.0 1.8 6.0 1143 911 A 13 LYS HGx A 13 LYS HEx 1.0 1.8 3.5 1144 911 A 13 LYS HGx A 13 LYS HEy 1.0 1.8 3.5 1145 912 A 13 LYS HGx A 20 VAL HGy% 1.0 1.8 5.0 1146 912 A 13 LYS HGx A 20 VAL HGx% 1.0 1.8 5.0 1147 913 A 13 LYS HDx A 20 VAL HGy% 1.0 1.8 5.0 1148 913 A 13 LYS HDy A 20 VAL HGy% 1.0 1.8 5.0 1149 913 A 20 VAL HGx% A 13 LYS HDx 1.0 1.8 5.0 1150 913 A 13 LYS HDy A 20 VAL HGx% 1.0 1.8 5.0 1151 914 A 13 LYS HEx A 20 VAL HGy% 1.0 1.8 3.5 1152 914 A 13 LYS HEy A 20 VAL HGy% 1.0 1.8 3.5 1153 914 A 20 VAL HGx% A 13 LYS HEx 1.0 1.8 3.5 1154 914 A 13 LYS HEy A 20 VAL HGx% 1.0 1.8 3.5 1155 915 A 22 TYR HD% A 13 LYS HEx 1.0 1.8 5.0 1156 915 A 22 TYR HD% A 13 LYS HEy 1.0 1.8 5.0 1157 916 A 22 TYR HE% A 13 LYS HEx 1.0 1.8 5.0 1158 916 A 22 TYR HE% A 13 LYS HEy 1.0 1.8 5.0 1159 917 A 13 LYS HEy A 48 VAL HGy% 1.0 1.8 6.0 1160 917 A 13 LYS HEx A 48 VAL HGy% 1.0 1.8 6.0 1161 917 A 48 VAL HGx% A 13 LYS HEx 1.0 1.8 6.0 1162 917 A 48 VAL HGx% A 13 LYS HEy 1.0 1.8 6.0 1163 918 A 14 ARG H A 15 VAL HGy% 1.0 1.8 6.0 1164 918 A 14 ARG H A 15 VAL HGx% 1.0 1.8 6.0 1165 919 A 14 ARG H A 20 VAL HGy% 1.0 1.8 5.0 1166 919 A 14 ARG H A 20 VAL HGx% 1.0 1.8 5.0 1167 920 A 14 ARG H A 21 GLU HBy 1.0 1.8 6.0 1168 920 A 14 ARG H A 21 GLU HBx 1.0 1.8 6.0 1169 921 A 14 ARG HGy A 21 GLU HBy 1.0 1.8 5.0 1170 921 A 14 ARG HGy A 21 GLU HBx 1.0 1.8 5.0 1171 922 A 14 ARG HGx A 21 GLU HBy 1.0 1.8 5.0 1172 922 A 14 ARG HGx A 21 GLU HBx 1.0 1.8 5.0 1173 923 A 15 VAL H A 15 VAL HGy% 1.0 1.8 3.5 1174 923 A 15 VAL H A 15 VAL HGx% 1.0 1.8 3.5 1175 924 A 15 VAL HA A 20 VAL HGy% 1.0 1.8 5.0 1176 924 A 15 VAL HA A 20 VAL HGx% 1.0 1.8 5.0 1177 925 A 16 ARG H A 15 VAL HGy% 1.0 1.8 3.5 1178 925 A 16 ARG H A 15 VAL HGx% 1.0 1.8 3.5 1179 926 A 18 GLY H A 15 VAL HGy% 1.0 1.8 5.0 1180 926 A 18 GLY H A 15 VAL HGx% 1.0 1.8 5.0 1181 927 A 18 GLY HAy A 15 VAL HGy% 1.0 1.8 5.0 1182 927 A 15 VAL HGx% A 18 GLY HAy 1.0 1.8 5.0 1183 928 A 18 GLY HAx A 15 VAL HGy% 1.0 1.8 5.0 1184 928 A 18 GLY HAx A 15 VAL HGx% 1.0 1.8 5.0 1185 929 A 19 LYS H A 15 VAL HGy% 1.0 1.8 3.5 1186 929 A 19 LYS H A 15 VAL HGx% 1.0 1.8 3.5 1187 930 A 20 VAL H A 15 VAL HGy% 1.0 1.8 5.0 1188 930 A 20 VAL H A 15 VAL HGx% 1.0 1.8 5.0 1189 931 A 20 VAL HA A 15 VAL HGy% 1.0 1.8 5.0 1190 931 A 20 VAL HA A 15 VAL HGx% 1.0 1.8 5.0 1191 932 A 15 VAL HGy% A 20 VAL HGy% 1.0 1.8 5.0 1192 932 A 20 VAL HGx% A 15 VAL HGy% 1.0 1.8 5.0 1193 932 A 20 VAL HGx% A 15 VAL HGx% 1.0 1.8 5.0 1194 932 A 15 VAL HGx% A 20 VAL HGy% 1.0 1.8 5.0 1195 933 A 21 GLU H A 15 VAL HGy% 1.0 1.8 5.0 1196 933 A 21 GLU H A 15 VAL HGx% 1.0 1.8 5.0 1197 934 A 16 ARG H A 16 ARG HBx 1.0 1.8 3.5 1198 934 A 16 ARG H A 16 ARG HBy 1.0 1.8 3.5 1199 935 A 16 ARG H A 16 ARG HGx 1.0 1.8 5.0 1200 935 A 16 ARG H A 16 ARG HGy 1.0 1.8 5.0 1201 936 A 16 ARG H A 20 VAL HGy% 1.0 1.8 6.0 1202 936 A 16 ARG H A 20 VAL HGx% 1.0 1.8 6.0 1203 937 A 16 ARG H A 21 GLU HGy 1.0 1.8 5.0 1204 937 A 16 ARG H A 21 GLU HGx 1.0 1.8 5.0 1205 938 A 16 ARG HA A 16 ARG HGx 1.0 1.8 3.5 1206 938 A 16 ARG HA A 16 ARG HGy 1.0 1.8 3.5 1207 939 A 16 ARG HA A 16 ARG HDx 1.0 1.8 5.0 1208 939 A 16 ARG HA A 16 ARG HDy 1.0 1.8 5.0 1209 940 A 19 LYS H A 16 ARG HBx 1.0 1.8 6.0 1210 940 A 19 LYS H A 16 ARG HBy 1.0 1.8 6.0 1211 941 A 17 LYS HBx A 17 LYS HEx 1.0 1.8 5.0 1212 941 A 17 LYS HBy A 17 LYS HEx 1.0 1.8 5.0 1213 941 A 17 LYS HEy A 17 LYS HBx 1.0 1.8 5.0 1214 941 A 17 LYS HEy A 17 LYS HBy 1.0 1.8 5.0 1215 942 A 18 GLY HAx A 17 LYS HBx 1.0 1.8 5.0 1216 942 A 18 GLY HAx A 17 LYS HBy 1.0 1.8 5.0 1217 943 A 19 LYS H A 17 LYS HBx 1.0 1.8 5.0 1218 943 A 19 LYS H A 17 LYS HBy 1.0 1.8 5.0 1219 944 A 19 LYS H A 20 VAL HGy% 1.0 1.8 6.0 1220 944 A 19 LYS H A 20 VAL HGx% 1.0 1.8 6.0 1221 945 A 19 LYS HA A 20 VAL HGy% 1.0 1.8 5.0 1222 945 A 19 LYS HA A 20 VAL HGx% 1.0 1.8 5.0 1223 946 A 20 VAL H A 20 VAL HGy% 1.0 1.8 3.5 1224 946 A 20 VAL H A 20 VAL HGx% 1.0 1.8 3.5 1225 947 A 20 VAL H A 39 GLU HGy 1.0 1.8 6.0 1226 947 A 20 VAL H A 39 GLU HGx 1.0 1.8 6.0 1227 948 A 20 VAL HA A 20 VAL HGy% 1.0 1.8 3.5 1228 948 A 20 VAL HA A 20 VAL HGx% 1.0 1.8 3.5 1229 949 A 20 VAL HA A 21 GLU HGy 1.0 1.8 5.0 1230 949 A 20 VAL HA A 21 GLU HGx 1.0 1.8 5.0 1231 950 A 20 VAL HB A 38 PRO HBx 1.0 1.8 5.0 1232 950 A 20 VAL HB A 38 PRO HBy 1.0 1.8 5.0 1233 951 A 20 VAL HB A 39 GLU HBx 1.0 1.8 5.0 1234 951 A 20 VAL HB A 39 GLU HBy 1.0 1.8 5.0 1235 952 A 20 VAL HB A 39 GLU HGy 1.0 1.8 5.0 1236 952 A 20 VAL HB A 39 GLU HGx 1.0 1.8 5.0 1237 953 A 21 GLU H A 20 VAL HGy% 1.0 1.8 3.5 1238 953 A 21 GLU H A 20 VAL HGx% 1.0 1.8 3.5 1239 954 A 21 GLU HA A 20 VAL HGy% 1.0 1.8 5.0 1240 954 A 21 GLU HA A 20 VAL HGx% 1.0 1.8 5.0 1241 955 A 22 TYR H A 20 VAL HGy% 1.0 1.8 5.0 1242 955 A 22 TYR H A 20 VAL HGx% 1.0 1.8 5.0 1243 956 A 22 TYR HD% A 20 VAL HGy% 1.0 1.8 5.0 1244 956 A 22 TYR HD% A 20 VAL HGx% 1.0 1.8 5.0 1245 957 A 22 TYR HE% A 20 VAL HGy% 1.0 1.8 3.5 1246 957 A 22 TYR HE% A 20 VAL HGx% 1.0 1.8 3.5 1247 958 A 39 GLU H A 20 VAL HGy% 1.0 1.8 5.0 1248 958 A 39 GLU H A 20 VAL HGx% 1.0 1.8 5.0 1249 959 A 20 VAL HGx% A 39 GLU HBx 1.0 1.8 5.0 1250 959 A 20 VAL HGy% A 39 GLU HBx 1.0 1.8 5.0 1251 959 A 39 GLU HBy A 20 VAL HGy% 1.0 1.8 5.0 1252 959 A 20 VAL HGx% A 39 GLU HBy 1.0 1.8 5.0 1253 960 A 20 VAL HGx% A 39 GLU HGy 1.0 1.8 6.0 1254 960 A 20 VAL HGy% A 39 GLU HGy 1.0 1.8 6.0 1255 960 A 39 GLU HGx A 20 VAL HGy% 1.0 1.8 6.0 1256 960 A 20 VAL HGx% A 39 GLU HGx 1.0 1.8 6.0 1257 961 A 21 GLU H A 21 GLU HBy 1.0 1.8 3.5 1258 961 A 21 GLU H A 21 GLU HBx 1.0 1.8 3.5 1259 962 A 21 GLU H A 21 GLU HGy 1.0 1.8 5.0 1260 962 A 21 GLU H A 21 GLU HGx 1.0 1.8 5.0 1261 963 A 21 GLU HA A 21 GLU HGy 1.0 1.8 5.0 1262 963 A 21 GLU HA A 21 GLU HGx 1.0 1.8 5.0 1263 964 A 21 GLU HA A 38 PRO HBx 1.0 1.8 5.0 1264 964 A 21 GLU HA A 38 PRO HBy 1.0 1.8 5.0 1265 965 A 22 TYR H A 21 GLU HBy 1.0 1.8 3.5 1266 965 A 22 TYR H A 21 GLU HBx 1.0 1.8 3.5 1267 966 A 36 TRP HBx A 21 GLU HBy 1.0 1.8 5.0 1268 966 A 36 TRP HBx A 21 GLU HBx 1.0 1.8 5.0 1269 967 A 36 TRP HE3 A 21 GLU HBy 1.0 1.8 5.0 1270 967 A 36 TRP HE3 A 21 GLU HBx 1.0 1.8 5.0 1271 968 A 37 GLU H A 21 GLU HBy 1.0 1.8 5.0 1272 968 A 37 GLU H A 21 GLU HBx 1.0 1.8 5.0 1273 969 A 38 PRO HA A 21 GLU HBy 1.0 1.8 6.0 1274 969 A 38 PRO HA A 21 GLU HBx 1.0 1.8 6.0 1275 970 A 22 TYR HA A 23 LEU HBx 1.0 1.8 5.0 1276 970 A 22 TYR HA A 23 LEU HBy 1.0 1.8 5.0 1277 971 A 22 TYR HBx A 48 VAL HGy% 1.0 1.8 6.0 1278 971 A 22 TYR HBx A 48 VAL HGx% 1.0 1.8 6.0 1279 972 A 22 TYR HD% A 39 GLU HBx 1.0 1.8 5.0 1280 972 A 22 TYR HD% A 39 GLU HBy 1.0 1.8 5.0 1281 973 A 22 TYR HD% A 39 GLU HGy 1.0 1.8 6.0 1282 973 A 22 TYR HD% A 39 GLU HGx 1.0 1.8 6.0 1283 974 A 22 TYR HD% A 48 VAL HGy% 1.0 1.8 5.0 1284 974 A 22 TYR HD% A 48 VAL HGx% 1.0 1.8 5.0 1285 975 A 22 TYR HE% A 39 GLU HBx 1.0 1.8 3.5 1286 975 A 22 TYR HE% A 39 GLU HBy 1.0 1.8 3.5 1287 976 A 22 TYR HE% A 39 GLU HGy 1.0 1.8 5.0 1288 976 A 22 TYR HE% A 39 GLU HGx 1.0 1.8 5.0 1289 977 A 22 TYR HE% A 48 VAL HGy% 1.0 1.8 3.5 1290 977 A 22 TYR HE% A 48 VAL HGx% 1.0 1.8 3.5 1291 978 A 23 LEU H A 23 LEU HBx 1.0 1.8 3.5 1292 978 A 23 LEU H A 23 LEU HBy 1.0 1.8 3.5 1293 979 A 23 LEU H A 23 LEU HDy% 1.0 1.8 5.0 1294 979 A 23 LEU H A 23 LEU HDx% 1.0 1.8 5.0 1295 980 A 23 LEU HA A 23 LEU HDy% 1.0 1.8 3.5 1296 980 A 23 LEU HA A 23 LEU HDx% 1.0 1.8 3.5 1297 981 A 23 LEU HBy A 23 LEU HDy% 1.0 1.8 3.5 1298 981 A 23 LEU HDx% A 23 LEU HBx 1.0 1.8 3.5 1299 981 A 23 LEU HBy A 23 LEU HDx% 1.0 1.8 3.5 1300 981 A 23 LEU HBx A 23 LEU HDy% 1.0 1.8 3.5 1301 982 A 23 LEU HG A 34 SER HBx 1.0 1.8 5.0 1302 982 A 23 LEU HG A 34 SER HBy 1.0 1.8 5.0 1303 983 A 24 VAL H A 23 LEU HDy% 1.0 1.8 5.0 1304 983 A 24 VAL H A 23 LEU HDx% 1.0 1.8 5.0 1305 984 A 34 SER H A 23 LEU HDy% 1.0 1.8 5.0 1306 984 A 34 SER H A 23 LEU HDx% 1.0 1.8 5.0 1307 985 A 34 SER HA A 23 LEU HDy% 1.0 1.8 5.0 1308 985 A 34 SER HA A 23 LEU HDx% 1.0 1.8 5.0 1309 986 A 23 LEU HDy% A 34 SER HBx 1.0 1.8 3.5 1310 986 A 23 LEU HDx% A 34 SER HBx 1.0 1.8 3.5 1311 986 A 34 SER HBy A 23 LEU HDy% 1.0 1.8 3.5 1312 986 A 23 LEU HDx% A 34 SER HBy 1.0 1.8 3.5 1313 987 A 35 THR H A 23 LEU HDy% 1.0 1.8 5.0 1314 987 A 35 THR H A 23 LEU HDx% 1.0 1.8 5.0 1315 988 A 36 TRP H A 23 LEU HDy% 1.0 1.8 5.0 1316 988 A 36 TRP H A 23 LEU HDx% 1.0 1.8 5.0 1317 989 A 36 TRP HA A 23 LEU HDy% 1.0 1.8 5.0 1318 989 A 36 TRP HA A 23 LEU HDx% 1.0 1.8 5.0 1319 990 A 36 TRP HD1 A 23 LEU HDy% 1.0 1.8 5.0 1320 990 A 36 TRP HD1 A 23 LEU HDx% 1.0 1.8 5.0 1321 991 A 36 TRP HE1 A 23 LEU HDy% 1.0 1.8 5.0 1322 991 A 36 TRP HE1 A 23 LEU HDx% 1.0 1.8 5.0 1323 992 A 36 TRP HZ2 A 23 LEU HDy% 1.0 1.8 5.0 1324 992 A 36 TRP HZ2 A 23 LEU HDx% 1.0 1.8 5.0 1325 993 A 36 TRP HH2 A 23 LEU HDy% 1.0 1.8 5.0 1326 993 A 36 TRP HH2 A 23 LEU HDx% 1.0 1.8 5.0 1327 994 A 37 GLU H A 23 LEU HDy% 1.0 1.8 6.0 1328 994 A 37 GLU H A 23 LEU HDx% 1.0 1.8 6.0 1329 995 A 25 LYS H A 25 LYS HDx 1.0 1.8 6.0 1330 995 A 25 LYS H A 25 LYS HDy 1.0 1.8 6.0 1331 996 A 25 LYS HA A 25 LYS HDx 1.0 1.8 5.0 1332 996 A 25 LYS HA A 25 LYS HDy 1.0 1.8 5.0 1333 997 A 25 LYS HBx A 25 LYS HEx 1.0 1.8 5.0 1334 997 A 25 LYS HBx A 25 LYS HEy 1.0 1.8 5.0 1335 998 A 25 LYS HEx A 25 LYS HGx 1.0 1.8 5.0 1336 998 A 25 LYS HEy A 25 LYS HGx 1.0 1.8 5.0 1337 998 A 25 LYS HGy A 25 LYS HEx 1.0 1.8 5.0 1338 998 A 25 LYS HGy A 25 LYS HEy 1.0 1.8 5.0 1339 999 A 26 TRP H A 25 LYS HDx 1.0 1.8 5.0 1340 999 A 26 TRP H A 25 LYS HDy 1.0 1.8 5.0 1341 1000 A 26 TRP HD1 A 25 LYS HDx 1.0 1.8 5.0 1342 1000 A 26 TRP HD1 A 25 LYS HDy 1.0 1.8 5.0 1343 1001 A 31 PRO HA A 25 LYS HDx 1.0 1.8 5.0 1344 1001 A 31 PRO HA A 25 LYS HDy 1.0 1.8 5.0 1345 1002 A 30 PRO HA A 25 LYS HEx 1.0 1.8 5.0 1346 1002 A 30 PRO HA A 25 LYS HEy 1.0 1.8 5.0 1347 1003 A 25 LYS HEx A 31 PRO HGx 1.0 1.8 5.0 1348 1003 A 25 LYS HEy A 31 PRO HGx 1.0 1.8 5.0 1349 1003 A 31 PRO HGy A 25 LYS HEx 1.0 1.8 5.0 1350 1003 A 25 LYS HEy A 31 PRO HGy 1.0 1.8 5.0 1351 1004 A 25 LYS HEx A 31 PRO HDx 1.0 1.8 5.0 1352 1004 A 25 LYS HEy A 31 PRO HDx 1.0 1.8 5.0 1353 1004 A 31 PRO HDy A 25 LYS HEx 1.0 1.8 5.0 1354 1004 A 31 PRO HDy A 25 LYS HEy 1.0 1.8 5.0 1355 1005 A 26 TRP HD1 A 29 TRP HBx 1.0 1.8 5.0 1356 1005 A 26 TRP HD1 A 29 TRP HBy 1.0 1.8 5.0 1357 1006 A 27 LYS HA A 27 LYS HDx 1.0 1.8 5.0 1358 1006 A 27 LYS HA A 27 LYS HDy 1.0 1.8 5.0 1359 1007 A 27 LYS HBy A 27 LYS HDx 1.0 1.8 3.5 1360 1007 A 27 LYS HBx A 27 LYS HDx 1.0 1.8 3.5 1361 1007 A 27 LYS HDy A 27 LYS HBy 1.0 1.8 3.5 1362 1007 A 27 LYS HBx A 27 LYS HDy 1.0 1.8 3.5 1363 1008 A 27 LYS HGy A 28 GLY HAx 1.0 1.8 5.0 1364 1008 A 27 LYS HGx A 28 GLY HAx 1.0 1.8 5.0 1365 1008 A 28 GLY HAy A 27 LYS HGx 1.0 1.8 5.0 1366 1008 A 27 LYS HGy A 28 GLY HAy 1.0 1.8 5.0 1367 1009 A 29 TRP H A 29 TRP HBx 1.0 1.8 3.5 1368 1009 A 29 TRP H A 29 TRP HBy 1.0 1.8 3.5 1369 1010 A 29 TRP HE3 A 29 TRP HBx 1.0 1.8 5.0 1370 1010 A 29 TRP HE3 A 29 TRP HBy 1.0 1.8 5.0 1371 1011 A 29 TRP HBx A 30 PRO HDx 1.0 1.8 5.0 1372 1011 A 29 TRP HBy A 30 PRO HDx 1.0 1.8 5.0 1373 1011 A 30 PRO HDy A 29 TRP HBx 1.0 1.8 5.0 1374 1011 A 30 PRO HDy A 29 TRP HBy 1.0 1.8 5.0 1375 1012 A 33 TYR HD% A 29 TRP HBx 1.0 1.8 5.0 1376 1012 A 33 TYR HD% A 29 TRP HBy 1.0 1.8 5.0 1377 1013 A 30 PRO HBy A 32 LYS HGx 1.0 1.8 5.0 1378 1013 A 30 PRO HBy A 32 LYS HGy 1.0 1.8 5.0 1379 1014 A 30 PRO HGx A 32 LYS HGx 1.0 1.8 6.0 1380 1014 A 30 PRO HGy A 32 LYS HGx 1.0 1.8 6.0 1381 1014 A 32 LYS HGy A 30 PRO HGx 1.0 1.8 6.0 1382 1014 A 30 PRO HGy A 32 LYS HGy 1.0 1.8 6.0 1383 1015 A 30 PRO HDx A 33 TYR HBx 1.0 1.8 5.0 1384 1015 A 30 PRO HDy A 33 TYR HBx 1.0 1.8 5.0 1385 1015 A 33 TYR HBy A 30 PRO HDx 1.0 1.8 5.0 1386 1015 A 30 PRO HDy A 33 TYR HBy 1.0 1.8 5.0 1387 1016 A 32 LYS HBx A 32 LYS HDx 1.0 1.8 5.0 1388 1016 A 32 LYS HBy A 32 LYS HDx 1.0 1.8 5.0 1389 1016 A 32 LYS HDy A 32 LYS HBx 1.0 1.8 5.0 1390 1016 A 32 LYS HDy A 32 LYS HBy 1.0 1.8 5.0 1391 1017 A 33 TYR H A 32 LYS HBx 1.0 1.8 5.0 1392 1017 A 33 TYR H A 32 LYS HBy 1.0 1.8 5.0 1393 1018 A 32 LYS HEx A 32 LYS HGx 1.0 1.8 3.5 1394 1018 A 32 LYS HEy A 32 LYS HGx 1.0 1.8 3.5 1395 1018 A 32 LYS HGy A 32 LYS HEx 1.0 1.8 3.5 1396 1018 A 32 LYS HEy A 32 LYS HGy 1.0 1.8 3.5 1397 1019 A 33 TYR HD% A 32 LYS HGx 1.0 1.8 5.0 1398 1019 A 33 TYR HD% A 32 LYS HGy 1.0 1.8 5.0 1399 1020 A 34 SER H A 32 LYS HGx 1.0 1.8 6.0 1400 1020 A 34 SER H A 32 LYS HGy 1.0 1.8 6.0 1401 1021 A 33 TYR H A 33 TYR HBx 1.0 1.8 3.5 1402 1021 A 33 TYR H A 33 TYR HBy 1.0 1.8 3.5 1403 1022 A 33 TYR H A 34 SER HBx 1.0 1.8 5.0 1404 1022 A 33 TYR H A 34 SER HBy 1.0 1.8 5.0 1405 1023 A 34 SER H A 33 TYR HBx 1.0 1.8 5.0 1406 1023 A 34 SER H A 33 TYR HBy 1.0 1.8 5.0 1407 1024 A 34 SER H A 34 SER HBx 1.0 1.8 3.5 1408 1024 A 34 SER H A 34 SER HBy 1.0 1.8 3.5 1409 1025 A 35 THR H A 34 SER HBx 1.0 1.8 5.0 1410 1025 A 35 THR H A 34 SER HBy 1.0 1.8 5.0 1411 1026 A 35 THR HG2% A 34 SER HBx 1.0 1.8 6.0 1412 1026 A 35 THR HG2% A 34 SER HBy 1.0 1.8 6.0 1413 1027 A 37 GLU H A 38 PRO HDy 1.0 1.8 5.0 1414 1027 A 37 GLU H A 38 PRO HDx 1.0 1.8 5.0 1415 1028 A 37 GLU HA A 38 PRO HGx 1.0 1.8 5.0 1416 1028 A 37 GLU HA A 38 PRO HGy 1.0 1.8 5.0 1417 1029 A 37 GLU HA A 38 PRO HDy 1.0 1.8 3.5 1418 1029 A 37 GLU HA A 38 PRO HDx 1.0 1.8 3.5 1419 1030 A 37 GLU HBy A 38 PRO HDy 1.0 1.8 5.0 1420 1030 A 37 GLU HBy A 38 PRO HDx 1.0 1.8 5.0 1421 1031 A 37 GLU HBy A 41 HIS HBy 1.0 1.8 5.0 1422 1031 A 37 GLU HBy A 41 HIS HBx 1.0 1.8 5.0 1423 1032 A 37 GLU HBx A 38 PRO HDy 1.0 1.8 5.0 1424 1032 A 37 GLU HBx A 38 PRO HDx 1.0 1.8 5.0 1425 1033 A 37 GLU HBx A 41 HIS HBy 1.0 1.8 5.0 1426 1033 A 37 GLU HBx A 41 HIS HBx 1.0 1.8 5.0 1427 1034 A 40 GLU H A 38 PRO HBx 1.0 1.8 5.0 1428 1034 A 40 GLU H A 38 PRO HBy 1.0 1.8 5.0 1429 1035 A 40 GLU H A 38 PRO HGx 1.0 1.8 5.0 1430 1035 A 40 GLU H A 38 PRO HGy 1.0 1.8 5.0 1431 1036 A 41 HIS H A 38 PRO HGx 1.0 1.8 5.0 1432 1036 A 41 HIS H A 38 PRO HGy 1.0 1.8 5.0 1433 1037 A 38 PRO HGx A 41 HIS HBy 1.0 1.8 6.0 1434 1037 A 38 PRO HGy A 41 HIS HBy 1.0 1.8 6.0 1435 1037 A 41 HIS HBx A 38 PRO HGx 1.0 1.8 6.0 1436 1037 A 38 PRO HGy A 41 HIS HBx 1.0 1.8 6.0 1437 1038 A 39 GLU H A 39 GLU HBx 1.0 1.8 5.0 1438 1038 A 39 GLU H A 39 GLU HBy 1.0 1.8 5.0 1439 1039 A 39 GLU H A 39 GLU HGy 1.0 1.8 5.0 1440 1039 A 39 GLU H A 39 GLU HGx 1.0 1.8 5.0 1441 1040 A 39 GLU HA A 48 VAL HGy% 1.0 1.8 5.0 1442 1040 A 39 GLU HA A 48 VAL HGx% 1.0 1.8 5.0 1443 1041 A 41 HIS H A 39 GLU HBx 1.0 1.8 6.0 1444 1041 A 41 HIS H A 39 GLU HBy 1.0 1.8 6.0 1445 1042 A 40 GLU HA A 39 GLU HGy 1.0 1.8 5.0 1446 1042 A 40 GLU HA A 39 GLU HGx 1.0 1.8 5.0 1447 1043 A 40 GLU H A 40 GLU HGy 1.0 1.8 5.0 1448 1043 A 40 GLU H A 40 GLU HGx 1.0 1.8 5.0 1449 1044 A 40 GLU HA A 40 GLU HGy 1.0 1.8 3.5 1450 1044 A 40 GLU HA A 40 GLU HGx 1.0 1.8 3.5 1451 1045 A 41 HIS H A 40 GLU HGy 1.0 1.8 6.0 1452 1045 A 41 HIS H A 40 GLU HGx 1.0 1.8 6.0 1453 1046 A 41 HIS H A 41 HIS HBy 1.0 1.8 5.0 1454 1046 A 41 HIS H A 41 HIS HBx 1.0 1.8 5.0 1455 1047 A 42 ILE H A 41 HIS HBy 1.0 1.8 5.0 1456 1047 A 42 ILE H A 41 HIS HBx 1.0 1.8 5.0 1457 1048 A 42 ILE HA A 43 LEU HBy 1.0 1.8 6.0 1458 1048 A 42 ILE HA A 43 LEU HBx 1.0 1.8 6.0 1459 1049 A 42 ILE HA A 47 LEU HBx 1.0 1.8 6.0 1460 1049 A 42 ILE HA A 47 LEU HBy 1.0 1.8 6.0 1461 1050 A 42 ILE HB A 48 VAL HGy% 1.0 1.8 5.0 1462 1050 A 42 ILE HB A 48 VAL HGx% 1.0 1.8 5.0 1463 1051 A 42 ILE HG2% A 47 LEU HBx 1.0 1.8 3.5 1464 1051 A 42 ILE HG2% A 47 LEU HBy 1.0 1.8 3.5 1465 1052 A 42 ILE HG2% A 48 VAL HGy% 1.0 1.8 3.5 1466 1052 A 42 ILE HG2% A 48 VAL HGx% 1.0 1.8 3.5 1467 1053 A 42 ILE HG1y A 48 VAL HGy% 1.0 1.8 5.0 1468 1053 A 42 ILE HG1x A 48 VAL HGy% 1.0 1.8 5.0 1469 1053 A 48 VAL HGx% A 42 ILE HG1x 1.0 1.8 5.0 1470 1053 A 42 ILE HG1y A 48 VAL HGx% 1.0 1.8 5.0 1471 1054 A 42 ILE HD1% A 47 LEU HBx 1.0 1.8 5.0 1472 1054 A 42 ILE HD1% A 47 LEU HBy 1.0 1.8 5.0 1473 1055 A 43 LEU HA A 43 LEU HDy% 1.0 1.8 3.5 1474 1055 A 43 LEU HA A 43 LEU HDx% 1.0 1.8 3.5 1475 1056 A 43 LEU HBx A 43 LEU HDy% 1.0 1.8 3.5 1476 1056 A 43 LEU HBy A 43 LEU HDy% 1.0 1.8 3.5 1477 1056 A 43 LEU HDx% A 43 LEU HBy 1.0 1.8 3.5 1478 1056 A 43 LEU HBx A 43 LEU HDx% 1.0 1.8 3.5 1479 1057 B 6 THR HA A 43 LEU HDy% 1.0 1.8 5.0 1480 1057 B 6 THR HA A 43 LEU HDx% 1.0 1.8 5.0 1481 1058 B 6 THR HB A 43 LEU HDy% 1.0 1.8 5.0 1482 1058 B 6 THR HB A 43 LEU HDx% 1.0 1.8 5.0 1483 1059 B 6 THR HG2% A 43 LEU HDy% 1.0 1.8 5.0 1484 1059 B 6 THR HG2% A 43 LEU HDx% 1.0 1.8 5.0 1485 1060 A 43 LEU HDx% B 8 ARG HGx 1.0 1.8 5.0 1486 1060 A 43 LEU HDy% B 8 ARG HGx 1.0 1.8 5.0 1487 1060 B 8 ARG HGy A 43 LEU HDy% 1.0 1.8 5.0 1488 1060 B 8 ARG HGy A 43 LEU HDx% 1.0 1.8 5.0 1489 1061 A 43 LEU HDx% B 8 ARG HDx 1.0 1.8 5.0 1490 1061 A 43 LEU HDy% B 8 ARG HDx 1.0 1.8 5.0 1491 1061 B 8 ARG HDy A 43 LEU HDy% 1.0 1.8 5.0 1492 1061 B 8 ARG HDy A 43 LEU HDx% 1.0 1.8 5.0 1493 1062 A 44 ASP HA A 45 PRO HDx 1.0 1.8 3.5 1494 1062 A 44 ASP HA A 45 PRO HDy 1.0 1.8 3.5 1495 1063 A 44 ASP HBy A 45 PRO HDx 1.0 1.8 5.0 1496 1063 A 44 ASP HBx A 45 PRO HDx 1.0 1.8 5.0 1497 1063 A 45 PRO HDy A 44 ASP HBx 1.0 1.8 5.0 1498 1063 A 44 ASP HBy A 45 PRO HDy 1.0 1.8 5.0 1499 1064 A 44 ASP HBx A 46 ARG HBx 1.0 1.8 5.0 1500 1064 A 44 ASP HBy A 46 ARG HBx 1.0 1.8 5.0 1501 1064 A 46 ARG HBy A 44 ASP HBx 1.0 1.8 5.0 1502 1064 A 44 ASP HBy A 46 ARG HBy 1.0 1.8 5.0 1503 1065 A 45 PRO HA A 48 VAL HGy% 1.0 1.8 5.0 1504 1065 A 45 PRO HA A 48 VAL HGx% 1.0 1.8 5.0 1505 1066 A 45 PRO HBx A 48 VAL HGy% 1.0 1.8 6.0 1506 1066 A 48 VAL HGx% A 45 PRO HBx 1.0 1.8 6.0 1507 1067 A 46 ARG H A 45 PRO HDx 1.0 1.8 5.0 1508 1067 A 46 ARG H A 45 PRO HDy 1.0 1.8 5.0 1509 1068 A 46 ARG H A 46 ARG HBx 1.0 1.8 3.5 1510 1068 A 46 ARG H A 46 ARG HBy 1.0 1.8 3.5 1511 1069 A 46 ARG HA A 46 ARG HDy 1.0 1.8 5.0 1512 1069 A 46 ARG HA A 46 ARG HDx 1.0 1.8 5.0 1513 1070 A 46 ARG HA A 49 MET HGx 1.0 1.8 5.0 1514 1070 A 46 ARG HA A 49 MET HGy 1.0 1.8 5.0 1515 1071 A 46 ARG HBy A 46 ARG HDy 1.0 1.8 3.5 1516 1071 A 46 ARG HDx A 46 ARG HBx 1.0 1.8 3.5 1517 1071 A 46 ARG HBy A 46 ARG HDx 1.0 1.8 3.5 1518 1071 A 46 ARG HBx A 46 ARG HDy 1.0 1.8 3.5 1519 1072 A 47 LEU H A 46 ARG HBx 1.0 1.8 5.0 1520 1072 A 47 LEU H A 46 ARG HBy 1.0 1.8 5.0 1521 1073 A 47 LEU H A 47 LEU HBx 1.0 1.8 3.5 1522 1073 A 47 LEU H A 47 LEU HBy 1.0 1.8 3.5 1523 1074 A 47 LEU H A 48 VAL HGy% 1.0 1.8 5.0 1524 1074 A 47 LEU H A 48 VAL HGx% 1.0 1.8 5.0 1525 1075 A 47 LEU HDx% A 47 LEU HBx 1.0 1.8 3.5 1526 1075 A 47 LEU HDx% A 47 LEU HBy 1.0 1.8 3.5 1527 1076 A 48 VAL H A 47 LEU HBx 1.0 1.8 5.0 1528 1076 A 48 VAL H A 47 LEU HBy 1.0 1.8 5.0 1529 1077 A 49 MET H A 47 LEU HBx 1.0 1.8 6.0 1530 1077 A 49 MET H A 47 LEU HBy 1.0 1.8 6.0 1531 1078 A 47 LEU HDx% B 5 GLN HGy 1.0 1.8 3.5 1532 1078 A 47 LEU HDx% B 5 GLN HGx 1.0 1.8 3.5 1533 1079 A 47 LEU HDy% B 5 GLN HGy 1.0 1.8 5.0 1534 1079 A 47 LEU HDy% B 5 GLN HGx 1.0 1.8 5.0 1535 1080 A 48 VAL H A 48 VAL HGy% 1.0 1.8 3.5 1536 1080 A 48 VAL H A 48 VAL HGx% 1.0 1.8 3.5 1537 1081 A 48 VAL HB A 49 MET HGx 1.0 1.8 5.0 1538 1081 A 48 VAL HB A 49 MET HGy 1.0 1.8 5.0 1539 1082 A 49 MET HA A 48 VAL HGy% 1.0 1.8 5.0 1540 1082 A 49 MET HA A 48 VAL HGx% 1.0 1.8 5.0 1541 1083 A 51 TYR H A 48 VAL HGy% 1.0 1.8 6.0 1542 1083 A 51 TYR H A 48 VAL HGx% 1.0 1.8 6.0 1543 1084 A 51 TYR HD% A 48 VAL HGy% 1.0 1.8 5.0 1544 1084 A 51 TYR HD% A 48 VAL HGx% 1.0 1.8 5.0 1545 1085 A 52 GLU H A 48 VAL HGy% 1.0 1.8 5.0 1546 1085 A 52 GLU H A 48 VAL HGx% 1.0 1.8 5.0 1547 1086 A 48 VAL HGx% A 52 GLU HGy 1.0 1.8 5.0 1548 1086 A 48 VAL HGy% A 52 GLU HGy 1.0 1.8 5.0 1549 1086 A 52 GLU HGx A 48 VAL HGy% 1.0 1.8 5.0 1550 1086 A 48 VAL HGx% A 52 GLU HGx 1.0 1.8 5.0 1551 1087 A 49 MET HA A 49 MET HGx 1.0 1.8 5.0 1552 1087 A 49 MET HA A 49 MET HGy 1.0 1.8 5.0 1553 1088 A 51 TYR HD% A 52 GLU HGy 1.0 1.8 5.0 1554 1088 A 51 TYR HD% A 52 GLU HGx 1.0 1.8 5.0 1555 1089 A 51 TYR HE% A 52 GLU HGy 1.0 1.8 5.0 1556 1089 A 51 TYR HE% A 52 GLU HGx 1.0 1.8 5.0 1557 1090 A 52 GLU H A 52 GLU HGy 1.0 1.8 3.5 1558 1090 A 52 GLU H A 52 GLU HGx 1.0 1.8 3.5 1559 1091 A 52 GLU HA A 52 GLU HGy 1.0 1.8 3.5 1560 1091 A 52 GLU HA A 52 GLU HGx 1.0 1.8 3.5 1561 1092 A 53 GLU H A 52 GLU HGy 1.0 1.8 6.0 1562 1092 A 53 GLU H A 52 GLU HGx 1.0 1.8 6.0 1563 1093 A 53 GLU H A 53 GLU HGy 1.0 1.8 5.0 1564 1093 A 53 GLU H A 53 GLU HGx 1.0 1.8 5.0 1565 1094 A 53 GLU H A 54 LYS HBx 1.0 1.8 6.0 1566 1094 A 53 GLU H A 54 LYS HBy 1.0 1.8 6.0 1567 1095 A 53 GLU HA A 53 GLU HGy 1.0 1.8 3.5 1568 1095 A 53 GLU HA A 53 GLU HGx 1.0 1.8 3.5 1569 1096 A 54 LYS H A 54 LYS HBx 1.0 1.8 3.5 1570 1096 A 54 LYS H A 54 LYS HBy 1.0 1.8 3.5 1571 1097 A 54 LYS HA A 54 LYS HGx 1.0 1.8 5.0 1572 1097 A 54 LYS HA A 54 LYS HGy 1.0 1.8 5.0 1573 1098 A 56 GLU H A 54 LYS HBx 1.0 1.8 5.0 1574 1098 A 56 GLU H A 54 LYS HBy 1.0 1.8 5.0 1575 1099 A 55 GLU H A 55 GLU HGy 1.0 1.8 5.0 1576 1099 A 55 GLU H A 55 GLU HGx 1.0 1.8 5.0 1577 1100 A 55 GLU HBy A 55 GLU HGy 1.0 1.8 2.7 1578 1100 A 55 GLU HBx A 55 GLU HGy 1.0 1.8 2.7 1579 1100 A 55 GLU HGx A 55 GLU HBy 1.0 1.8 2.7 1580 1100 A 55 GLU HGx A 55 GLU HBx 1.0 1.8 2.7 1581 1101 A 56 GLU H A 56 GLU HBy 1.0 1.8 3.5 1582 1101 A 56 GLU H A 56 GLU HBx 1.0 1.8 3.5 1583 1102 B 5 GLN HA A 44 ASP HBx 1.0 1.8 3.5 1584 1102 A 44 ASP HBy B 5 GLN HA 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 41 HIS O B 8 ARG H 1.0 1.8 2.3 2 2 A 41 HIS O B 8 ARG N 1.0 2.7 3.3 3 3 B 6 THR O A 43 LEU H 1.0 1.8 2.3 4 4 B 6 THR O A 43 LEU N 1.0 2.7 3.3 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 VAL C A 5 PHE N A 5 PHE CA A 5 PHE C 1.0 -150.0 -104.6 PHI 2 2 A 5 PHE N A 5 PHE CA A 5 PHE C A 6 ALA N 1.0 133.3 180.8 PSI 3 3 A 5 PHE C A 6 ALA N A 6 ALA CA A 6 ALA C 1.0 -117.0 -61.0 PHI 4 4 A 6 ALA N A 6 ALA CA A 6 ALA C A 7 VAL N 1.0 104.0 152.0 PSI 5 5 A 6 ALA C A 7 VAL N A 7 VAL CA A 7 VAL C 1.0 -177.0 -49.0 PHI 6 6 A 7 VAL N A 7 VAL CA A 7 VAL C A 8 GLU N 1.0 117.0 153.0 PSI 7 7 A 8 GLU C A 9 SER N A 9 SER CA A 9 SER C 1.0 -191.4 -105.9 PHI 8 8 A 9 SER N A 9 SER CA A 9 SER C A 10 ILE N 1.0 125.4 201.3 PSI 9 9 A 9 SER C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -148.0 -68.0 PHI 10 10 A 10 ILE N A 10 ILE CA A 10 ILE C A 11 ARG N 1.0 106.0 154.0 PSI 11 11 A 11 ARG C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -169.4 -117.4 PHI 12 12 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 LYS N 1.0 118.9 179.6 PSI 13 13 A 12 LYS C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -155.0 -79.0 PHI 14 14 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 ARG N 1.0 108.0 168.0 PSI 15 15 A 13 LYS C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -194.9 -79.1 PHI 16 16 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 VAL N 1.0 111.2 184.5 PSI 17 17 A 14 ARG C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -144.0 -88.0 PHI 18 18 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 ARG N 1.0 117.0 145.0 PSI 19 19 A 15 VAL C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -178.0 -58.0 PHI 20 20 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 LYS N 1.0 98.0 170.0 PSI 21 21 A 16 ARG C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 42.0 66.0 PHI 22 22 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 GLY N 1.0 27.0 51.0 PSI 23 23 A 17 LYS C A 18 GLY N A 18 GLY CA A 18 GLY C 1.0 60.0 92.0 PHI 24 24 A 18 GLY N A 18 GLY CA A 18 GLY C A 19 LYS N 1.0 -17.0 27.0 PSI 25 25 A 18 GLY C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -131.9 -84.9 PHI 26 26 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 VAL N 1.0 112.6 155.7 PSI 27 27 A 19 LYS C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -128.9 -71.0 PHI 28 28 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 GLU N 1.0 111.4 148.4 PSI 29 29 A 20 VAL C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -167.7 -99.0 PHI 30 30 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 TYR N 1.0 138.9 181.0 PSI 31 31 A 21 GLU C A 22 TYR N A 22 TYR CA A 22 TYR C 1.0 -169.0 -85.0 PHI 32 32 A 22 TYR N A 22 TYR CA A 22 TYR C A 23 LEU N 1.0 108.0 164.0 PSI 33 33 A 23 LEU C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -129.0 -65.0 PHI 34 34 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 LYS N 1.0 109.0 149.0 PSI 35 35 A 24 VAL C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -127.5 -70.4 PHI 36 36 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 TRP N 1.0 103.2 139.5 PSI 37 37 A 25 LYS C A 26 TRP N A 26 TRP CA A 26 TRP C 1.0 -139.0 -55.0 PHI 38 38 A 26 TRP N A 26 TRP CA A 26 TRP C A 27 LYS N 1.0 80.0 156.0 PSI 39 39 A 28 GLY C A 29 TRP N A 29 TRP CA A 29 TRP C 1.0 -151.2 -51.5 PHI 40 40 A 29 TRP N A 29 TRP CA A 29 TRP C A 30 PRO N 1.0 70.6 177.9 PSI 41 41 A 31 PRO C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -90.0 -46.0 PHI 42 42 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 TYR N 1.0 -59.0 21.0 PSI 43 43 A 32 LYS C A 33 TYR N A 33 TYR CA A 33 TYR C 1.0 -119.0 -63.0 PHI 44 44 A 33 TYR N A 33 TYR CA A 33 TYR C A 34 SER N 1.0 -30.0 22.0 PSI 45 45 A 34 SER C A 35 THR N A 35 THR CA A 35 THR C 1.0 -158.5 -75.5 PHI 46 46 A 35 THR N A 35 THR CA A 35 THR C A 36 TRP N 1.0 123.6 172.2 PSI 47 47 A 36 TRP C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -145.0 -85.0 PHI 48 48 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 PRO N 1.0 84.0 196.0 PSI 49 49 A 38 PRO C A 39 GLU N A 39 GLU CA A 39 GLU C 1.0 -74.0 -38.0 PHI 50 50 A 39 GLU N A 39 GLU CA A 39 GLU C A 40 GLU N 1.0 -61.0 -9.0 PSI 51 51 A 39 GLU C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -82.1 -55.8 PHI 52 52 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 HIS N 1.0 -51.8 -2.2 PSI 53 53 A 43 LEU C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -150.0 -70.0 PHI 54 54 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 PRO N 1.0 78.0 182.0 PSI 55 55 A 45 PRO C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -70.0 -50.0 PHI 56 56 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 LEU N 1.0 -65.0 -17.0 PSI 57 57 A 46 ARG C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -77.0 -49.0 PHI 58 58 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 VAL N 1.0 -52.0 -28.0 PSI 59 59 A 47 LEU C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -89.1 -49.3 PHI 60 60 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 MET N 1.0 -53.0 -19.7 PSI 61 61 A 48 VAL C A 49 MET N A 49 MET CA A 49 MET C 1.0 -74.3 -49.7 PHI 62 62 A 49 MET N A 49 MET CA A 49 MET C A 50 ALA N 1.0 -53.5 -29.6 PSI 63 63 A 49 MET C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -76.8 -51.3 PHI 64 64 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 TYR N 1.0 -50.3 -30.3 PSI 65 65 A 50 ALA C A 51 TYR N A 51 TYR CA A 51 TYR C 1.0 -75.0 -55.0 PHI 66 66 A 51 TYR N A 51 TYR CA A 51 TYR C A 52 GLU N 1.0 -55.0 -31.0 PSI 67 67 A 51 TYR C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -102.5 -41.8 PHI 68 68 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 GLU N 1.0 -60.1 -7.4 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 2594.707 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 11160.714 3 1H 11198.208 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 6038.647 2 1H 11160.714 3 1H 11198.208 stop_ save_ save_spectral_peak_list_4 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_4 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 3000.000 2 1H 5499.794 3 1H 3266.500 stop_ save_ save_spectral_peak_list_5 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_5 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 3000.000 2 1H 5499.794 3 1H 2512.129 stop_ save_ save_spectral_peak_list_6 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_6 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 3000.000 2 1H 5499.794 3 1H 2512.129 stop_ save_