data_nef_c17071_2l11 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 17072 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 PHE middle . . 4 A 4 VAL middle . . 5 A 5 VAL middle . . 6 A 6 GLU middle . . 7 A 7 LYS middle . . 8 A 8 VAL middle . . 9 A 9 LEU middle . . 10 A 10 ASP middle . . 11 A 11 ARG middle . . 12 A 12 ARG middle . . 13 A 13 VAL middle . . 14 A 14 VAL middle . . 15 A 15 ASN middle . . 16 A 16 GLY middle . false 17 A 17 LYS middle . . 18 A 18 VAL middle . . 19 A 19 GLU middle . . 20 A 20 TYR middle . . 21 A 21 PHE middle . . 22 A 22 LEU middle . . 23 A 23 LYS middle . . 24 A 24 TRP middle . . 25 A 25 LYS middle . . 26 A 26 GLY middle . false 27 A 27 PHE middle . . 28 A 28 THR middle . . 29 A 29 ASP middle . . 30 A 30 ALA middle . . 31 A 31 ASP middle . . 32 A 32 ASN middle . . 33 A 33 THR middle . . 34 A 34 TRP middle . . 35 A 35 GLU middle . . 36 A 36 PRO middle . false 37 A 37 GLU middle . . 38 A 38 GLU middle . . 39 A 39 ASN middle . . 40 A 40 LEU middle . . 41 A 41 ASP middle . . 42 A 42 CYS middle . . 43 A 43 PRO middle . false 44 A 44 GLU middle . . 45 A 45 LEU middle . . 46 A 46 ILE middle . . 47 A 47 GLU middle . . 48 A 48 ALA middle . . 49 A 49 PHE middle . . 50 A 50 LEU middle . . 51 A 51 ASN middle . . 52 A 52 SER middle . . 53 A 53 GLN middle . . 54 A 54 LYS end . . 55 B 1 ALA start . . 56 B 2 ARG middle . . 57 B 3 THR middle . . 58 B 4 LYS middle . . 59 B 5 GLN middle . . 60 B 6 THR middle . . 61 B 7 ALA middle . . 62 B 8 ARG middle -OXT . 63 B 9 M3L middle -H2,-OXT . 64 B 10 SER middle -H2 . 65 B 11 THR middle . . 66 B 12 GLY middle . false 67 B 13 GLY middle . false 68 B 14 LYS middle . . 69 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 1 GLY HAy H 1 3.80 0.0300 A 1 GLY HAx H 1 3.70 0.0300 A 1 GLY C C 13 171.93 0.4000 A 1 GLY CA C 13 44.94 0.4000 A 2 GLU H H 1 7.73 0.0300 A 2 GLU HA H 1 4.68 0.0300 A 2 GLU HBx H 1 1.74 0.0300 A 2 GLU HBy H 1 1.74 0.0300 A 2 GLU HGy H 1 2.01 0.0300 A 2 GLU HGx H 1 1.97 0.0300 A 2 GLU C C 13 175.16 0.4000 A 2 GLU CA C 13 55.64 0.4000 A 2 GLU CB C 13 31.69 0.4000 A 2 GLU CG C 13 36.38 0.4000 A 2 GLU N N 15 119.39 0.4000 A 3 PHE H H 1 8.72 0.0300 A 3 PHE HA H 1 4.83 0.0300 A 3 PHE HBy H 1 3.23 0.0300 A 3 PHE HBx H 1 2.91 0.0300 A 3 PHE HD1 H 1 7.07 0.0300 A 3 PHE HD2 H 1 7.07 0.0300 A 3 PHE HE1 H 1 7.13 0.0300 A 3 PHE HE2 H 1 7.13 0.0300 A 3 PHE HZ H 1 7.19 0.0300 A 3 PHE C C 13 174.70 0.4000 A 3 PHE CA C 13 56.64 0.4000 A 3 PHE CB C 13 42.99 0.4000 A 3 PHE CD1 C 13 132.15 0.4000 A 3 PHE CE1 C 13 129.74 0.4000 A 3 PHE CZ C 13 131.29 0.4000 A 3 PHE N N 15 120.83 0.4000 A 4 VAL H H 1 8.78 0.0300 A 4 VAL HA H 1 4.29 0.0300 A 4 VAL HB H 1 2.07 0.0300 A 4 VAL HGx% H 1 1.01 0.0300 A 4 VAL HGy% H 1 1.04 0.0300 A 4 VAL C C 13 176.55 0.4000 A 4 VAL CA C 13 63.43 0.4000 A 4 VAL CB C 13 32.53 0.4000 A 4 VAL CG1 C 13 22.07 0.4000 A 4 VAL CG2 C 13 22.72 0.4000 A 4 VAL N N 15 121.30 0.4000 A 5 VAL H H 1 8.73 0.0300 A 5 VAL HA H 1 3.65 0.0300 A 5 VAL HB H 1 1.39 0.0300 A 5 VAL HGx% H 1 0.54 0.0300 A 5 VAL HGy% H 1 0.38 0.0300 A 5 VAL C C 13 173.34 0.4000 A 5 VAL CA C 13 62.47 0.4000 A 5 VAL CB C 13 33.79 0.4000 A 5 VAL CG1 C 13 23.79 0.4000 A 5 VAL CG2 C 13 22.70 0.4000 A 5 VAL N N 15 132.09 0.4000 A 6 GLU H H 1 9.15 0.0300 A 6 GLU HA H 1 4.23 0.0300 A 6 GLU HBx H 1 1.59 0.0300 A 6 GLU HBy H 1 1.59 0.0300 A 6 GLU HGy H 1 2.14 0.0300 A 6 GLU HGx H 1 1.95 0.0300 A 6 GLU C C 13 175.59 0.4000 A 6 GLU CA C 13 57.22 0.4000 A 6 GLU CB C 13 32.17 0.4000 A 6 GLU CG C 13 36.27 0.4000 A 6 GLU N N 15 126.13 0.4000 A 7 LYS H H 1 7.51 0.0300 A 7 LYS HA H 1 4.15 0.0300 A 7 LYS HBx H 1 1.49 0.0300 A 7 LYS HBy H 1 1.49 0.0300 A 7 LYS HDx H 1 1.54 0.0300 A 7 LYS HDy H 1 1.54 0.0300 A 7 LYS HEx H 1 2.91 0.0300 A 7 LYS HEy H 1 2.91 0.0300 A 7 LYS HGy H 1 1.23 0.0300 A 7 LYS HGx H 1 1.18 0.0300 A 7 LYS C C 13 172.69 0.4000 A 7 LYS CA C 13 56.29 0.4000 A 7 LYS CB C 13 37.23 0.4000 A 7 LYS CD C 13 29.49 0.4000 A 7 LYS CE C 13 42.21 0.4000 A 7 LYS CG C 13 25.16 0.4000 A 7 LYS N N 15 115.77 0.4000 A 8 VAL H H 1 8.31 0.0300 A 8 VAL HA H 1 3.79 0.0300 A 8 VAL HB H 1 1.64 0.0300 A 8 VAL HGx% H 1 0.32 0.0300 A 8 VAL HGy% H 1 0.29 0.0300 A 8 VAL C C 13 174.65 0.4000 A 8 VAL CA C 13 62.06 0.4000 A 8 VAL CB C 13 31.88 0.4000 A 8 VAL CG1 C 13 21.20 0.4000 A 8 VAL CG2 C 13 22.25 0.4000 A 8 VAL N N 15 124.14 0.4000 A 9 LEU H H 1 8.81 0.0300 A 9 LEU HA H 1 4.30 0.0300 A 9 LEU HBy H 1 1.46 0.0300 A 9 LEU HBx H 1 1.39 0.0300 A 9 LEU HDx% H 1 0.40 0.0300 A 9 LEU HDy% H 1 0.65 0.0300 A 9 LEU HG H 1 1.14 0.0300 A 9 LEU C C 13 176.53 0.4000 A 9 LEU CA C 13 55.65 0.4000 A 9 LEU CB C 13 44.98 0.4000 A 9 LEU CD1 C 13 26.59 0.4000 A 9 LEU CD2 C 13 23.02 0.4000 A 9 LEU CG C 13 27.00 0.4000 A 9 LEU N N 15 124.38 0.4000 A 10 ASP H H 1 7.19 0.0300 A 10 ASP HA H 1 4.76 0.0300 A 10 ASP HBy H 1 2.56 0.0300 A 10 ASP HBx H 1 2.37 0.0300 A 10 ASP C C 13 172.99 0.4000 A 10 ASP CA C 13 52.79 0.4000 A 10 ASP CB C 13 42.97 0.4000 A 10 ASP N N 15 114.36 0.4000 A 11 ARG H H 1 9.41 0.0300 A 11 ARG HA H 1 5.20 0.0300 A 11 ARG HBy H 1 1.68 0.0300 A 11 ARG HBx H 1 1.50 0.0300 A 11 ARG HDy H 1 3.14 0.0300 A 11 ARG HDx H 1 3.05 0.0300 A 11 ARG HGy H 1 1.20 0.0300 A 11 ARG HGx H 1 0.75 0.0300 A 11 ARG C C 13 173.63 0.4000 A 11 ARG CA C 13 55.05 0.4000 A 11 ARG CB C 13 35.57 0.4000 A 11 ARG CD C 13 43.89 0.4000 A 11 ARG CG C 13 27.04 0.4000 A 11 ARG N N 15 122.42 0.4000 A 12 ARG H H 1 9.25 0.0300 A 12 ARG HA H 1 4.69 0.0300 A 12 ARG HBy H 1 1.44 0.0300 A 12 ARG HBx H 1 1.22 0.0300 A 12 ARG HDx H 1 1.89 0.0300 A 12 ARG HDy H 1 1.89 0.0300 A 12 ARG HGy H 1 1.01 0.0300 A 12 ARG HGx H 1 0.66 0.0300 A 12 ARG C C 13 171.85 0.4000 A 12 ARG CA C 13 54.09 0.4000 A 12 ARG CB C 13 32.63 0.4000 A 12 ARG CD C 13 42.08 0.4000 A 12 ARG CG C 13 24.99 0.4000 A 12 ARG N N 15 124.46 0.4000 A 13 VAL H H 1 8.17 0.0300 A 13 VAL HA H 1 4.70 0.0300 A 13 VAL HB H 1 1.73 0.0300 A 13 VAL HGx% H 1 0.72 0.0300 A 13 VAL HGy% H 1 0.58 0.0300 A 13 VAL C C 13 176.14 0.4000 A 13 VAL CA C 13 60.88 0.4000 A 13 VAL CB C 13 32.82 0.4000 A 13 VAL CG1 C 13 20.87 0.4000 A 13 VAL CG2 C 13 20.76 0.4000 A 13 VAL N N 15 119.74 0.4000 A 14 VAL H H 1 8.85 0.0300 A 14 VAL HA H 1 4.08 0.0300 A 14 VAL HB H 1 1.67 0.0300 A 14 VAL HGx% H 1 0.65 0.0300 A 14 VAL HGy% H 1 0.47 0.0300 A 14 VAL CA C 13 60.79 0.4000 A 14 VAL CB C 13 33.97 0.4000 A 14 VAL CG1 C 13 20.70 0.4000 A 14 VAL CG2 C 13 19.91 0.4000 A 14 VAL N N 15 127.23 0.4000 A 15 ASN HA H 1 4.26 0.0300 A 15 ASN HBy H 1 2.96 0.0300 A 15 ASN HBx H 1 2.63 0.0300 A 15 ASN HD2x H 1 6.80 0.0300 A 15 ASN HD2y H 1 7.57 0.0300 A 15 ASN C C 13 175.23 0.4000 A 15 ASN CA C 13 54.11 0.4000 A 15 ASN CB C 13 37.37 0.4000 A 15 ASN ND2 N 15 113.25 0.4000 A 16 GLY H H 1 8.23 0.0300 A 16 GLY HAy H 1 4.04 0.0300 A 16 GLY HAx H 1 3.38 0.0300 A 16 GLY C C 13 173.36 0.4000 A 16 GLY CA C 13 45.35 0.4000 A 16 GLY N N 15 102.40 0.4000 A 17 LYS H H 1 7.72 0.0300 A 17 LYS HA H 1 4.55 0.0300 A 17 LYS HBy H 1 2.01 0.0300 A 17 LYS HBx H 1 1.77 0.0300 A 17 LYS HDx H 1 1.71 0.0300 A 17 LYS HDy H 1 1.71 0.0300 A 17 LYS HEx H 1 3.02 0.0300 A 17 LYS HEy H 1 3.02 0.0300 A 17 LYS HGy H 1 1.45 0.0300 A 17 LYS HGx H 1 1.34 0.0300 A 17 LYS C C 13 174.61 0.4000 A 17 LYS CA C 13 54.61 0.4000 A 17 LYS CB C 13 33.27 0.4000 A 17 LYS CD C 13 28.48 0.4000 A 17 LYS CE C 13 41.87 0.4000 A 17 LYS CG C 13 24.28 0.4000 A 17 LYS N N 15 121.79 0.4000 A 18 VAL H H 1 8.62 0.0300 A 18 VAL HA H 1 4.27 0.0300 A 18 VAL HB H 1 1.87 0.0300 A 18 VAL HGx% H 1 0.87 0.0300 A 18 VAL HGy% H 1 0.50 0.0300 A 18 VAL C C 13 176.08 0.4000 A 18 VAL CA C 13 62.71 0.4000 A 18 VAL CB C 13 32.16 0.4000 A 18 VAL CG1 C 13 21.98 0.4000 A 18 VAL CG2 C 13 22.40 0.4000 A 18 VAL N N 15 124.38 0.4000 A 19 GLU H H 1 9.02 0.0300 A 19 GLU HA H 1 5.15 0.0300 A 19 GLU HBy H 1 1.93 0.0300 A 19 GLU HBx H 1 1.66 0.0300 A 19 GLU HGy H 1 2.04 0.0300 A 19 GLU HGx H 1 1.82 0.0300 A 19 GLU C C 13 174.56 0.4000 A 19 GLU CA C 13 54.10 0.4000 A 19 GLU CB C 13 35.55 0.4000 A 19 GLU CG C 13 35.95 0.4000 A 19 GLU N N 15 126.36 0.4000 A 20 TYR H H 1 9.16 0.0300 A 20 TYR HA H 1 5.25 0.0300 A 20 TYR HBy H 1 2.66 0.0300 A 20 TYR HBx H 1 2.32 0.0300 A 20 TYR HD1 H 1 6.73 0.0300 A 20 TYR HD2 H 1 6.73 0.0300 A 20 TYR HE1 H 1 6.58 0.0300 A 20 TYR HE2 H 1 6.58 0.0300 A 20 TYR C C 13 173.23 0.4000 A 20 TYR CA C 13 57.03 0.4000 A 20 TYR CB C 13 43.28 0.4000 A 20 TYR CD1 C 13 133.17 0.4000 A 20 TYR CE1 C 13 117.67 0.4000 A 20 TYR N N 15 117.47 0.4000 A 21 PHE H H 1 7.66 0.0300 A 21 PHE HA H 1 4.38 0.0300 A 21 PHE HBy H 1 1.76 0.0300 A 21 PHE HBx H 1 -0.14 0.0300 A 21 PHE HD1 H 1 7.11 0.0300 A 21 PHE HD2 H 1 7.11 0.0300 A 21 PHE HE1 H 1 6.87 0.0300 A 21 PHE HE2 H 1 6.87 0.0300 A 21 PHE C C 13 173.71 0.4000 A 21 PHE CA C 13 54.42 0.4000 A 21 PHE CB C 13 38.41 0.4000 A 21 PHE CD1 C 13 129.87 0.4000 A 21 PHE CE1 C 13 129.86 0.4000 A 21 PHE N N 15 125.53 0.4000 A 22 LEU H H 1 8.53 0.0300 A 22 LEU HA H 1 4.11 0.0300 A 22 LEU HBy H 1 0.74 0.0300 A 22 LEU HBx H 1 -0.16 0.0300 A 22 LEU HDx% H 1 0.21 0.0300 A 22 LEU HDy% H 1 0.09 0.0300 A 22 LEU HG H 1 1.28 0.0300 A 22 LEU C C 13 173.60 0.4000 A 22 LEU CA C 13 53.84 0.4000 A 22 LEU CB C 13 42.93 0.4000 A 22 LEU CD1 C 13 24.93 0.4000 A 22 LEU CD2 C 13 25.42 0.4000 A 22 LEU CG C 13 26.17 0.4000 A 22 LEU N N 15 127.52 0.4000 A 23 LYS H H 1 7.37 0.0300 A 23 LYS HA H 1 4.31 0.0300 A 23 LYS HBy H 1 1.46 0.0300 A 23 LYS HBx H 1 1.31 0.0300 A 23 LYS HDy H 1 1.81 0.0300 A 23 LYS HDx H 1 1.58 0.0300 A 23 LYS HEy H 1 2.91 0.0300 A 23 LYS HEx H 1 2.82 0.0300 A 23 LYS HGx H 1 1.18 0.0300 A 23 LYS HGy H 1 1.18 0.0300 A 23 LYS C C 13 175.79 0.4000 A 23 LYS CA C 13 53.28 0.4000 A 23 LYS CB C 13 34.44 0.4000 A 23 LYS CD C 13 28.83 0.4000 A 23 LYS CE C 13 43.50 0.4000 A 23 LYS CG C 13 25.13 0.4000 A 23 LYS N N 15 117.99 0.4000 A 24 TRP H H 1 9.14 0.0300 A 24 TRP HA H 1 4.54 0.0300 A 24 TRP HBy H 1 3.07 0.0300 A 24 TRP HBx H 1 2.74 0.0300 A 24 TRP HD1 H 1 7.33 0.0300 A 24 TRP HE1 H 1 10.25 0.0300 A 24 TRP HE3 H 1 6.61 0.0300 A 24 TRP HH2 H 1 7.00 0.0300 A 24 TRP HZ2 H 1 7.38 0.0300 A 24 TRP HZ3 H 1 7.24 0.0300 A 24 TRP C C 13 176.46 0.4000 A 24 TRP CA C 13 56.03 0.4000 A 24 TRP CB C 13 30.19 0.4000 A 24 TRP CD1 C 13 129.57 0.4000 A 24 TRP CE3 C 13 124.37 0.4000 A 24 TRP CH2 C 13 123.73 0.4000 A 24 TRP CZ2 C 13 114.91 0.4000 A 24 TRP CZ3 C 13 119.45 0.4000 A 24 TRP N N 15 131.75 0.4000 A 24 TRP NE1 N 15 130.02 0.4000 A 25 LYS H H 1 8.39 0.0300 A 25 LYS HA H 1 4.23 0.0300 A 25 LYS HBy H 1 1.86 0.0300 A 25 LYS HBx H 1 1.36 0.0300 A 25 LYS HDy H 1 1.68 0.0300 A 25 LYS HDx H 1 1.59 0.0300 A 25 LYS HEx H 1 2.94 0.0300 A 25 LYS HEy H 1 2.94 0.0300 A 25 LYS HGx H 1 1.40 0.0300 A 25 LYS HGy H 1 1.40 0.0300 A 25 LYS CA C 13 57.95 0.4000 A 25 LYS CB C 13 33.01 0.4000 A 25 LYS CD C 13 29.48 0.4000 A 25 LYS CE C 13 42.17 0.4000 A 25 LYS CG C 13 24.72 0.4000 A 25 LYS N N 15 125.67 0.4000 A 26 GLY HAy H 1 4.04 0.0300 A 26 GLY HAx H 1 3.55 0.0300 A 26 GLY C C 13 173.23 0.4000 A 26 GLY CA C 13 45.14 0.4000 A 27 PHE H H 1 7.73 0.0300 A 27 PHE HA H 1 4.73 0.0300 A 27 PHE HBy H 1 3.51 0.0300 A 27 PHE HBx H 1 2.84 0.0300 A 27 PHE HD1 H 1 7.16 0.0300 A 27 PHE HD2 H 1 7.16 0.0300 A 27 PHE HE1 H 1 7.19 0.0300 A 27 PHE HE2 H 1 7.19 0.0300 A 27 PHE HZ H 1 7.29 0.0300 A 27 PHE C C 13 174.90 0.4000 A 27 PHE CA C 13 56.76 0.4000 A 27 PHE CB C 13 40.93 0.4000 A 27 PHE CD1 C 13 132.51 0.4000 A 27 PHE CE1 C 13 130.39 0.4000 A 27 PHE CZ C 13 131.48 0.4000 A 27 PHE N N 15 118.66 0.4000 A 28 THR H H 1 9.09 0.0300 A 28 THR HA H 1 4.66 0.0300 A 28 THR HB H 1 4.60 0.0300 A 28 THR HG2% H 1 1.27 0.0300 A 28 THR C C 13 176.13 0.4000 A 28 THR CA C 13 61.10 0.4000 A 28 THR CB C 13 71.71 0.4000 A 28 THR CG2 C 13 21.43 0.4000 A 28 THR N N 15 111.40 0.4000 A 29 ASP H H 1 8.64 0.0300 A 29 ASP HA H 1 4.60 0.0300 A 29 ASP HBy H 1 2.54 0.0300 A 29 ASP HBx H 1 2.48 0.0300 A 29 ASP C C 13 178.10 0.4000 A 29 ASP CA C 13 55.86 0.4000 A 29 ASP CB C 13 40.90 0.4000 A 29 ASP N N 15 119.77 0.4000 A 30 ALA H H 1 7.79 0.0300 A 30 ALA HA H 1 4.08 0.0300 A 30 ALA HB% H 1 1.30 0.0300 A 30 ALA C C 13 178.39 0.4000 A 30 ALA CA C 13 54.10 0.4000 A 30 ALA CB C 13 18.32 0.4000 A 30 ALA N N 15 121.87 0.4000 A 31 ASP H H 1 7.61 0.0300 A 31 ASP HA H 1 4.65 0.0300 A 31 ASP HBy H 1 2.74 0.0300 A 31 ASP HBx H 1 2.56 0.0300 A 31 ASP C C 13 173.94 0.4000 A 31 ASP CA C 13 54.10 0.4000 A 31 ASP CB C 13 42.73 0.4000 A 31 ASP N N 15 116.24 0.4000 A 32 ASN H H 1 7.11 0.0300 A 32 ASN HA H 1 4.64 0.0300 A 32 ASN HBy H 1 2.19 0.0300 A 32 ASN HBx H 1 1.29 0.0300 A 32 ASN HD2x H 1 6.79 0.0300 A 32 ASN HD2y H 1 7.37 0.0300 A 32 ASN C C 13 176.72 0.4000 A 32 ASN CA C 13 54.14 0.4000 A 32 ASN CB C 13 38.32 0.4000 A 32 ASN N N 15 118.98 0.4000 A 32 ASN ND2 N 15 112.15 0.4000 A 33 THR H H 1 7.40 0.0300 A 33 THR HA H 1 4.90 0.0300 A 33 THR HB H 1 4.34 0.0300 A 33 THR HG2% H 1 1.19 0.0300 A 33 THR C C 13 173.24 0.4000 A 33 THR CA C 13 59.52 0.4000 A 33 THR CB C 13 72.14 0.4000 A 33 THR CG2 C 13 24.08 0.4000 A 33 THR N N 15 109.79 0.4000 A 34 TRP H H 1 8.59 0.0300 A 34 TRP HA H 1 5.27 0.0300 A 34 TRP HBy H 1 2.96 0.0300 A 34 TRP HBx H 1 2.90 0.0300 A 34 TRP HD1 H 1 7.14 0.0300 A 34 TRP HE1 H 1 9.40 0.0300 A 34 TRP HE3 H 1 6.51 0.0300 A 34 TRP HH2 H 1 6.54 0.0300 A 34 TRP HZ2 H 1 6.82 0.0300 A 34 TRP HZ3 H 1 6.93 0.0300 A 34 TRP C C 13 177.23 0.4000 A 34 TRP CA C 13 56.26 0.4000 A 34 TRP CB C 13 30.94 0.4000 A 34 TRP CD1 C 13 127.73 0.4000 A 34 TRP CE3 C 13 121.49 0.4000 A 34 TRP CH2 C 13 122.92 0.4000 A 34 TRP CZ2 C 13 114.48 0.4000 A 34 TRP CZ3 C 13 120.30 0.4000 A 34 TRP N N 15 120.86 0.4000 A 34 TRP NE1 N 15 130.76 0.4000 A 35 GLU H H 1 9.55 0.0300 A 35 GLU HA H 1 5.49 0.0300 A 35 GLU HBy H 1 2.15 0.0300 A 35 GLU HBx H 1 1.54 0.0300 A 35 GLU HGy H 1 2.50 0.0300 A 35 GLU HGx H 1 2.36 0.0300 A 35 GLU CA C 13 51.61 0.4000 A 35 GLU CB C 13 32.15 0.4000 A 35 GLU CG C 13 34.29 0.4000 A 35 GLU N N 15 121.66 0.4000 A 36 PRO HA H 1 4.86 0.0300 A 36 PRO HBy H 1 2.45 0.0300 A 36 PRO HBx H 1 2.20 0.0300 A 36 PRO HDx H 1 3.89 0.0300 A 36 PRO HDy H 1 4.09 0.0300 A 36 PRO HGy H 1 2.08 0.0300 A 36 PRO HGx H 1 1.93 0.0300 A 36 PRO C C 13 178.28 0.4000 A 36 PRO CA C 13 62.34 0.4000 A 36 PRO CB C 13 32.72 0.4000 A 36 PRO CD C 13 50.90 0.4000 A 36 PRO CG C 13 27.38 0.4000 A 37 GLU H H 1 8.49 0.0300 A 37 GLU HA H 1 4.08 0.0300 A 37 GLU HBx H 1 2.10 0.0300 A 37 GLU HBy H 1 2.30 0.0300 A 37 GLU HGy H 1 2.45 0.0300 A 37 GLU HGx H 1 2.32 0.0300 A 37 GLU C C 13 177.73 0.4000 A 37 GLU CA C 13 60.36 0.4000 A 37 GLU CB C 13 30.29 0.4000 A 37 GLU CG C 13 35.93 0.4000 A 37 GLU N N 15 121.30 0.4000 A 38 GLU H H 1 9.75 0.0300 A 38 GLU HA H 1 4.31 0.0300 A 38 GLU HBx H 1 2.12 0.0300 A 38 GLU HBy H 1 2.12 0.0300 A 38 GLU HGx H 1 2.32 0.0300 A 38 GLU HGy H 1 2.32 0.0300 A 38 GLU C C 13 176.63 0.4000 A 38 GLU CA C 13 58.57 0.4000 A 38 GLU CB C 13 28.38 0.4000 A 38 GLU CG C 13 35.68 0.4000 A 38 GLU N N 15 118.33 0.4000 A 39 ASN H H 1 8.31 0.0300 A 39 ASN HA H 1 4.68 0.0300 A 39 ASN HBx H 1 3.18 0.0300 A 39 ASN HBy H 1 3.62 0.0300 A 39 ASN HD2x H 1 6.95 0.0300 A 39 ASN HD2y H 1 7.42 0.0300 A 39 ASN C C 13 175.80 0.4000 A 39 ASN CA C 13 53.23 0.4000 A 39 ASN CB C 13 37.76 0.4000 A 39 ASN N N 15 119.48 0.4000 A 39 ASN ND2 N 15 110.07 0.4000 A 40 LEU H H 1 7.82 0.0300 A 40 LEU HA H 1 4.27 0.0300 A 40 LEU HBx H 1 1.92 0.0300 A 40 LEU HBy H 1 1.92 0.0300 A 40 LEU HDx% H 1 0.80 0.0300 A 40 LEU HDy% H 1 0.50 0.0300 A 40 LEU HG H 1 1.71 0.0300 A 40 LEU C C 13 175.51 0.4000 A 40 LEU CA C 13 57.15 0.4000 A 40 LEU CB C 13 42.09 0.4000 A 40 LEU CD1 C 13 26.10 0.4000 A 40 LEU CD2 C 13 26.26 0.4000 A 40 LEU CG C 13 29.44 0.4000 A 40 LEU N N 15 122.73 0.4000 A 41 ASP H H 1 8.74 0.0300 A 41 ASP HA H 1 4.97 0.0300 A 41 ASP HBy H 1 2.82 0.0300 A 41 ASP HBx H 1 2.30 0.0300 A 41 ASP C C 13 174.75 0.4000 A 41 ASP CA C 13 53.28 0.4000 A 41 ASP CB C 13 40.70 0.4000 A 41 ASP N N 15 125.29 0.4000 A 42 CYS H H 1 7.87 0.0300 A 42 CYS HA H 1 5.13 0.0300 A 42 CYS HBy H 1 2.98 0.0300 A 42 CYS HBx H 1 2.36 0.0300 A 42 CYS CA C 13 53.09 0.4000 A 42 CYS CB C 13 28.98 0.4000 A 42 CYS N N 15 113.54 0.4000 A 43 PRO HA H 1 4.12 0.0300 A 43 PRO HBy H 1 2.25 0.0300 A 43 PRO HBx H 1 2.00 0.0300 A 43 PRO HDy H 1 3.64 0.0300 A 43 PRO HDx H 1 3.54 0.0300 A 43 PRO HGx H 1 2.05 0.0300 A 43 PRO HGy H 1 2.14 0.0300 A 43 PRO C C 13 179.63 0.4000 A 43 PRO CA C 13 65.49 0.4000 A 43 PRO CB C 13 31.30 0.4000 A 43 PRO CD C 13 50.65 0.4000 A 43 PRO CG C 13 27.65 0.4000 A 44 GLU H H 1 8.35 0.0300 A 44 GLU HA H 1 4.07 0.0300 A 44 GLU HBx H 1 1.87 0.0300 A 44 GLU HBy H 1 1.87 0.0300 A 44 GLU HGx H 1 2.26 0.0300 A 44 GLU HGy H 1 2.26 0.0300 A 44 GLU C C 13 179.93 0.4000 A 44 GLU CA C 13 59.91 0.4000 A 44 GLU CB C 13 28.97 0.4000 A 44 GLU CG C 13 37.28 0.4000 A 44 GLU N N 15 118.43 0.4000 A 45 LEU H H 1 7.23 0.0300 A 45 LEU HA H 1 4.16 0.0300 A 45 LEU HBy H 1 1.68 0.0300 A 45 LEU HBx H 1 1.36 0.0300 A 45 LEU HDx% H 1 0.58 0.0300 A 45 LEU HDy% H 1 0.75 0.0300 A 45 LEU HG H 1 1.69 0.0300 A 45 LEU C C 13 180.81 0.4000 A 45 LEU CA C 13 56.77 0.4000 A 45 LEU CB C 13 41.58 0.4000 A 45 LEU CD1 C 13 27.13 0.4000 A 45 LEU CD2 C 13 21.65 0.4000 A 45 LEU CG C 13 26.67 0.4000 A 45 LEU N N 15 118.61 0.4000 A 46 ILE H H 1 7.68 0.0300 A 46 ILE HA H 1 3.38 0.0300 A 46 ILE HB H 1 1.72 0.0300 A 46 ILE HD1% H 1 0.40 0.0300 A 46 ILE HG1y H 1 1.29 0.0300 A 46 ILE HG1x H 1 0.15 0.0300 A 46 ILE HG2% H 1 0.79 0.0300 A 46 ILE C C 13 177.23 0.4000 A 46 ILE CA C 13 65.59 0.4000 A 46 ILE CB C 13 38.06 0.4000 A 46 ILE CD1 C 13 13.06 0.4000 A 46 ILE CG1 C 13 28.51 0.4000 A 46 ILE CG2 C 13 17.15 0.4000 A 46 ILE N N 15 122.17 0.4000 A 47 GLU H H 1 7.99 0.0300 A 47 GLU HA H 1 3.89 0.0300 A 47 GLU HBy H 1 2.02 0.0300 A 47 GLU HBx H 1 1.98 0.0300 A 47 GLU HGy H 1 2.26 0.0300 A 47 GLU HGx H 1 2.18 0.0300 A 47 GLU C C 13 178.32 0.4000 A 47 GLU CA C 13 59.75 0.4000 A 47 GLU CB C 13 29.35 0.4000 A 47 GLU CG C 13 36.05 0.4000 A 47 GLU N N 15 119.73 0.4000 A 48 ALA H H 1 7.64 0.0300 A 48 ALA HA H 1 4.10 0.0300 A 48 ALA HB% H 1 1.47 0.0300 A 48 ALA C C 13 180.54 0.4000 A 48 ALA CA C 13 54.97 0.4000 A 48 ALA CB C 13 18.09 0.4000 A 48 ALA N N 15 119.45 0.4000 A 49 PHE H H 1 7.62 0.0300 A 49 PHE HA H 1 4.26 0.0300 A 49 PHE HBy H 1 3.32 0.0300 A 49 PHE HBx H 1 3.11 0.0300 A 49 PHE HD1 H 1 7.18 0.0300 A 49 PHE HD2 H 1 7.18 0.0300 A 49 PHE HE1 H 1 7.17 0.0300 A 49 PHE HE2 H 1 7.17 0.0300 A 49 PHE HZ H 1 7.11 0.0300 A 49 PHE C C 13 178.69 0.4000 A 49 PHE CA C 13 61.11 0.4000 A 49 PHE CB C 13 38.66 0.4000 A 49 PHE CD1 C 13 131.67 0.4000 A 49 PHE CE1 C 13 129.79 0.4000 A 49 PHE CZ C 13 131.45 0.4000 A 49 PHE N N 15 119.60 0.4000 A 50 LEU H H 1 8.85 0.0300 A 50 LEU HA H 1 3.64 0.0300 A 50 LEU HBy H 1 1.87 0.0300 A 50 LEU HBx H 1 1.37 0.0300 A 50 LEU HDx% H 1 0.91 0.0300 A 50 LEU HDy% H 1 0.98 0.0300 A 50 LEU HG H 1 2.02 0.0300 A 50 LEU C C 13 180.10 0.4000 A 50 LEU CA C 13 57.78 0.4000 A 50 LEU CB C 13 41.19 0.4000 A 50 LEU CD1 C 13 25.97 0.4000 A 50 LEU CD2 C 13 22.07 0.4000 A 50 LEU CG C 13 26.84 0.4000 A 50 LEU N N 15 122.17 0.4000 A 51 ASN H H 1 8.28 0.0300 A 51 ASN HA H 1 4.51 0.0300 A 51 ASN HBx H 1 2.77 0.0300 A 51 ASN HBy H 1 2.77 0.0300 A 51 ASN HD2x H 1 6.95 0.0300 A 51 ASN HD2y H 1 7.50 0.0300 A 51 ASN C C 13 176.30 0.4000 A 51 ASN CA C 13 54.58 0.4000 A 51 ASN CB C 13 38.36 0.4000 A 51 ASN N N 15 116.73 0.4000 A 51 ASN ND2 N 15 112.58 0.4000 A 52 SER H H 1 7.56 0.0300 A 52 SER HA H 1 4.35 0.0300 A 52 SER HBy H 1 3.93 0.0300 A 52 SER HBx H 1 3.76 0.0300 A 52 SER C C 13 174.26 0.4000 A 52 SER CA C 13 59.51 0.4000 A 52 SER CB C 13 63.77 0.4000 A 52 SER N N 15 114.93 0.4000 A 53 GLN H H 1 7.41 0.0300 A 53 GLN HA H 1 4.20 0.0300 A 53 GLN HBy H 1 2.06 0.0300 A 53 GLN HBx H 1 1.80 0.0300 A 53 GLN HE2x H 1 6.74 0.0300 A 53 GLN HE2y H 1 7.08 0.0300 A 53 GLN HGx H 1 2.01 0.0300 A 53 GLN HGy H 1 2.01 0.0300 A 53 GLN C C 13 174.95 0.4000 A 53 GLN CA C 13 55.42 0.4000 A 53 GLN CB C 13 29.12 0.4000 A 53 GLN CG C 13 33.68 0.4000 A 53 GLN N N 15 120.84 0.4000 A 53 GLN NE2 N 15 113.69 0.4000 A 54 LYS H H 1 7.56 0.0300 A 54 LYS HA H 1 4.05 0.0300 A 54 LYS HBy H 1 1.77 0.0300 A 54 LYS HBx H 1 1.66 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 2.92 0.0300 A 54 LYS HEy H 1 2.92 0.0300 A 54 LYS HGy H 1 1.37 0.0300 A 54 LYS HGx H 1 1.33 0.0300 A 54 LYS CA C 13 57.82 0.4000 A 54 LYS CB C 13 33.59 0.4000 A 54 LYS CD C 13 29.13 0.4000 A 54 LYS CE C 13 42.28 0.4000 A 54 LYS CG C 13 24.84 0.4000 A 54 LYS N N 15 126.96 0.4000 B 3 THR HA H 1 3.97 0.0300 B 3 THR HG2% H 1 1.17 0.0300 B 5 GLN HA H 1 4.26 0.0300 B 5 GLN HBy H 1 1.97 0.0300 B 5 GLN HBx H 1 1.94 0.0300 B 5 GLN HE2x H 1 6.71 0.0300 B 5 GLN HGy H 1 2.23 0.0300 B 5 GLN HGx H 1 2.00 0.0300 B 6 THR HA H 1 4.04 0.0300 B 6 THR HB H 1 4.15 0.0300 B 6 THR HG2% H 1 1.06 0.0300 B 7 ALA HA H 1 3.92 0.0300 B 7 ALA HB% H 1 1.34 0.0300 B 8 ARG HA H 1 4.28 0.0300 B 8 ARG HBy H 1 1.72 0.0300 B 8 ARG HBx H 1 1.65 0.0300 B 8 ARG HDx H 1 3.07 0.0300 B 8 ARG HDy H 1 3.07 0.0300 B 8 ARG HGx H 1 1.52 0.0300 B 8 ARG HGy H 1 1.52 0.0300 B 10 SER HA H 1 4.44 0.0300 B 10 SER HBy H 1 3.91 0.0300 B 10 SER HBx H 1 3.87 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 11 ARG HA A 20 TYR HD% 1.0 1.8 5.0 2 2 A 20 TYR HD% A 19 GLU HBx 1.0 1.8 6.0 3 3 A 20 TYR HD% A 40 LEU HBx 1.0 1.8 6.0 4 3 A 20 TYR HD% A 40 LEU HBy 1.0 1.8 6.0 5 4 A 20 TYR HD% A 11 ARG HBy 1.0 1.8 5.0 6 5 A 20 TYR HD% A 11 ARG HBx 1.0 1.8 5.0 7 6 A 20 TYR HD% A 40 LEU HDx% 1.0 1.8 5.0 8 7 A 20 TYR HD% A 40 LEU HDy% 1.0 1.8 5.0 9 8 A 40 LEU HDx% A 20 TYR HE% 1.0 1.8 5.0 10 9 A 20 TYR HE% A 11 ARG HBx 1.0 1.8 5.0 11 10 A 20 TYR HE% A 11 ARG HBy 1.0 1.8 5.0 12 11 A 20 TYR HE% A 37 GLU HBx 1.0 1.8 3.5 13 12 A 20 TYR HE% A 37 GLU HBy 1.0 1.8 5.0 14 13 A 20 TYR HE% A 11 ARG HDx 1.0 1.8 5.0 15 14 A 11 ARG HA A 20 TYR HE% 1.0 1.8 5.0 16 15 A 20 TYR HE% A 49 PHE HE% 1.0 1.8 5.0 17 16 A 34 TRP HZ3 A 12 ARG HDx 1.0 1.8 5.0 18 16 A 12 ARG HDy A 34 TRP HZ3 1.0 1.8 5.0 19 17 A 10 ASP HBx A 34 TRP HH2 1.0 1.8 5.0 20 18 A 5 VAL HB A 24 TRP HZ2 1.0 1.8 6.0 21 19 A 24 TRP HZ2 B 7 ALA HB% 1.0 1.8 6.0 22 20 A 24 TRP HZ2 A 35 GLU HGy 1.0 1.8 5.0 23 21 B 7 ALA HB% A 24 TRP HH2 1.0 1.8 5.0 24 22 A 20 TYR HE% A 20 TYR H 1.0 1.8 6.0 25 23 A 27 PHE HA A 27 PHE HD% 1.0 1.8 5.0 26 24 A 27 PHE HD% A 24 TRP HBx 1.0 1.8 5.0 27 25 A 27 PHE HD% A 24 TRP HBy 1.0 1.8 5.0 28 26 A 27 PHE HD% A 27 PHE HZ 1.0 1.8 5.0 29 27 A 49 PHE HZ A 50 LEU HA 1.0 1.8 6.0 30 28 A 3 PHE HA A 3 PHE HD% 1.0 1.8 5.0 31 29 A 27 PHE HD% A 24 TRP HD1 1.0 1.8 5.0 32 30 A 24 TRP HD1 A 33 THR HG2% 1.0 1.8 5.0 33 31 A 3 PHE HD% A 4 VAL H 1.0 1.8 5.0 34 32 A 49 PHE HZ A 53 GLN HGx 1.0 1.8 5.0 35 32 A 49 PHE HZ A 53 GLN HGy 1.0 1.8 5.0 36 33 A 21 PHE HE% A 34 TRP HD1 1.0 1.8 5.0 37 34 A 20 TYR HA A 34 TRP HE3 1.0 1.8 5.0 38 35 A 24 TRP HZ2 A 33 THR HG2% 1.0 1.8 5.0 39 36 A 24 TRP HZ2 A 33 THR HB 1.0 1.8 5.0 40 37 A 49 PHE HBx A 50 LEU HBy 1.0 1.8 6.0 41 38 A 49 PHE HBx A 50 LEU HG 1.0 1.8 6.0 42 39 A 49 PHE HBx A 53 GLN HGx 1.0 1.8 6.0 43 39 A 53 GLN HGy A 49 PHE HBx 1.0 1.8 6.0 44 40 A 20 TYR HD% A 19 GLU HA 1.0 1.8 5.0 45 41 A 19 GLU HA A 36 PRO HA 1.0 1.8 3.5 46 42 A 19 GLU HA A 19 GLU HGy 1.0 1.8 5.0 47 43 A 19 GLU HA A 19 GLU HGx 1.0 1.8 5.0 48 44 A 19 GLU HA A 18 VAL HGx% 1.0 1.8 5.0 49 45 A 40 LEU HDx% A 19 GLU HA 1.0 1.8 6.0 50 46 A 19 GLU HA A 20 TYR HBy 1.0 1.8 6.0 51 47 A 22 LEU HA A 23 LYS HBy 1.0 1.8 5.0 52 48 A 22 LEU HA A 9 LEU HG 1.0 1.8 5.0 53 49 A 22 LEU HA A 5 VAL HGy% 1.0 1.8 5.0 54 50 A 40 LEU HDx% A 37 GLU HA 1.0 1.8 3.5 55 51 A 37 GLU HA A 40 LEU HG 1.0 1.8 5.0 56 52 A 37 GLU HA A 40 LEU HBx 1.0 1.8 5.0 57 52 A 40 LEU HBy A 37 GLU HA 1.0 1.8 5.0 58 53 A 20 TYR HD% A 37 GLU HA 1.0 1.8 5.0 59 54 A 20 TYR HE% A 37 GLU HA 1.0 1.8 5.0 60 55 A 25 LYS HGy A 26 GLY HAx 1.0 1.8 5.0 61 55 A 26 GLY HAx A 25 LYS HGx 1.0 1.8 5.0 62 56 A 17 LYS H A 15 ASN HBx 1.0 1.8 5.0 63 57 A 36 PRO HA A 19 GLU HGx 1.0 1.8 5.0 64 58 A 34 TRP HZ3 A 19 GLU HBy 1.0 1.8 6.0 65 59 A 49 PHE HE% A 11 ARG HBy 1.0 1.8 5.0 66 60 A 19 GLU HBx A 12 ARG HGx 1.0 1.8 6.0 67 61 A 19 GLU HBx A 36 PRO HA 1.0 1.8 5.0 68 62 A 19 GLU HBx A 34 TRP HZ3 1.0 1.8 6.0 69 63 A 36 PRO HA A 19 GLU HGy 1.0 1.8 5.0 70 64 A 6 GLU HA A 6 GLU HGx 1.0 1.8 5.0 71 65 A 42 CYS HA A 43 PRO HDx 1.0 1.8 5.0 72 66 A 43 PRO HDx A 41 ASP HA 1.0 1.8 5.0 73 67 A 43 PRO HDx A 42 CYS H 1.0 1.8 5.0 74 68 A 43 PRO HDx A 44 GLU H 1.0 1.8 5.0 75 69 A 42 CYS H A 43 PRO HDy 1.0 1.8 5.0 76 70 A 44 GLU H A 43 PRO HDy 1.0 1.8 5.0 77 71 A 41 ASP HA A 43 PRO HDy 1.0 1.8 6.0 78 72 A 43 PRO HA A 46 ILE HB 1.0 1.8 3.5 79 73 A 43 PRO HA A 46 ILE HG1x 1.0 1.8 5.0 80 74 A 43 PRO HA A 46 ILE HG2% 1.0 1.8 5.0 81 75 A 43 PRO HA A 46 ILE HD1% 1.0 1.8 5.0 82 76 A 43 PRO HA A 46 ILE HG1y 1.0 1.8 6.0 83 77 A 44 GLU H A 43 PRO HGx 1.0 1.8 5.0 84 78 A 44 GLU H A 43 PRO HGy 1.0 1.8 5.0 85 79 A 42 CYS HA B 5 GLN HBy 1.0 1.8 6.0 86 80 A 42 CYS HA B 5 GLN HBx 1.0 1.8 6.0 87 81 A 42 CYS HA A 43 PRO HDy 1.0 1.8 3.5 88 82 B 5 GLN HBy A 42 CYS HBy 1.0 1.8 6.0 89 83 A 42 CYS HBy B 5 GLN HBx 1.0 1.8 6.0 90 84 A 5 VAL HGy% A 42 CYS HBy 1.0 1.8 6.0 91 85 A 46 ILE HD1% A 42 CYS HBy 1.0 1.8 6.0 92 86 A 5 VAL HGy% A 42 CYS HBx 1.0 1.8 6.0 93 87 A 46 ILE HD1% A 42 CYS HBx 1.0 1.8 6.0 94 88 A 42 CYS HBx B 5 GLN HBy 1.0 1.8 6.0 95 89 A 42 CYS HBx B 5 GLN HBx 1.0 1.8 6.0 96 90 A 19 GLU HBx A 35 GLU HA 1.0 1.8 5.0 97 91 A 35 GLU HA A 36 PRO HGx 1.0 1.8 6.0 98 92 A 40 LEU HDy% A 35 GLU HGy 1.0 1.8 6.0 99 93 A 5 VAL HGx% A 35 GLU HGy 1.0 1.8 6.0 100 94 A 35 GLU H A 35 GLU HGx 1.0 1.8 5.0 101 95 A 24 TRP HZ2 A 35 GLU HGx 1.0 1.8 5.0 102 96 A 5 VAL HGx% A 35 GLU HGx 1.0 1.8 6.0 103 97 A 40 LEU HDy% A 35 GLU HGx 1.0 1.8 6.0 104 98 A 40 LEU HDx% A 35 GLU HBy 1.0 1.8 5.0 105 99 A 40 LEU HDy% A 35 GLU HBy 1.0 1.8 5.0 106 100 A 35 GLU HBy A 34 TRP HBx 1.0 1.8 6.0 107 101 A 24 TRP HZ2 A 35 GLU HBy 1.0 1.8 6.0 108 102 A 40 LEU HDy% A 35 GLU HBx 1.0 1.8 5.0 109 103 A 40 LEU HDx% A 35 GLU HBx 1.0 1.8 6.0 110 104 A 35 GLU HBx A 22 LEU HG 1.0 1.8 6.0 111 105 A 36 PRO HGx A 35 GLU HBx 1.0 1.8 6.0 112 106 A 35 GLU HBx A 39 ASN HBx 1.0 1.8 5.0 113 107 A 35 GLU HBx A 39 ASN HBy 1.0 1.8 5.0 114 108 A 35 GLU HBx A 36 PRO HDy 1.0 1.8 5.0 115 109 A 14 VAL HA A 14 VAL HGy% 1.0 1.8 3.5 116 110 A 14 VAL HA A 14 VAL HGx% 1.0 1.8 3.5 117 111 A 14 VAL H A 14 VAL HGx% 1.0 1.8 5.0 118 112 A 25 LYS HGy A 4 VAL HGx% 1.0 1.8 6.0 119 112 A 4 VAL HGx% A 25 LYS HGx 1.0 1.8 6.0 120 113 A 25 LYS HGy A 4 VAL HGy% 1.0 1.8 6.0 121 113 A 4 VAL HGy% A 25 LYS HGx 1.0 1.8 6.0 122 114 A 54 LYS H A 54 LYS HGy 1.0 1.8 5.0 123 115 A 54 LYS H A 54 LYS HGx 1.0 1.8 5.0 124 116 A 25 LYS HA A 25 LYS HGx 1.0 1.8 5.0 125 116 A 25 LYS HGy A 25 LYS HA 1.0 1.8 5.0 126 117 A 25 LYS HA A 6 GLU HBx 1.0 1.8 5.0 127 117 A 25 LYS HA A 6 GLU HBy 1.0 1.8 5.0 128 118 A 25 LYS HEy A 25 LYS HGx 1.0 1.8 3.5 129 118 A 25 LYS HEx A 25 LYS HGx 1.0 1.8 3.5 130 118 A 25 LYS HGy A 25 LYS HEx 1.0 1.8 3.5 131 118 A 25 LYS HGy A 25 LYS HEy 1.0 1.8 3.5 132 119 A 25 LYS HEy A 4 VAL HGx% 1.0 1.8 5.0 133 119 A 4 VAL HGx% A 25 LYS HEx 1.0 1.8 5.0 134 120 A 25 LYS H A 25 LYS HBy 1.0 1.8 5.0 135 121 A 25 LYS HBy A 4 VAL HGx% 1.0 1.8 5.0 136 122 A 4 VAL HGy% A 25 LYS HBy 1.0 1.8 5.0 137 123 A 25 LYS HEy A 25 LYS HBy 1.0 1.8 5.0 138 123 A 25 LYS HBy A 25 LYS HEx 1.0 1.8 5.0 139 124 A 4 VAL HGx% A 25 LYS HBx 1.0 1.8 5.0 140 125 A 4 VAL HGy% A 25 LYS HBx 1.0 1.8 5.0 141 126 A 25 LYS HEy A 25 LYS HBx 1.0 1.8 5.0 142 126 A 25 LYS HBx A 25 LYS HEx 1.0 1.8 5.0 143 127 A 25 LYS H A 25 LYS HBx 1.0 1.8 5.0 144 128 A 24 TRP HZ2 A 22 LEU HBy 1.0 1.8 5.0 145 129 A 22 LEU HBy A 22 LEU HDy% 1.0 1.8 5.0 146 130 A 22 LEU HBy A 22 LEU HDx% 1.0 1.8 5.0 147 131 A 5 VAL HGy% A 22 LEU HBy 1.0 1.8 5.0 148 132 A 5 VAL HGy% A 22 LEU HBx 1.0 1.8 5.0 149 133 A 22 LEU HA A 22 LEU HDx% 1.0 1.8 5.0 150 134 A 40 LEU HDy% A 22 LEU HDx% 1.0 1.8 5.0 151 135 A 22 LEU HBx A 22 LEU HDx% 1.0 1.8 5.0 152 136 A 22 LEU HBx A 22 LEU HDy% 1.0 1.8 5.0 153 137 A 5 VAL HGy% A 22 LEU HDy% 1.0 1.8 5.0 154 138 A 40 LEU HDy% A 22 LEU HDy% 1.0 1.8 5.0 155 139 A 22 LEU HA A 22 LEU HDy% 1.0 1.8 5.0 156 140 A 36 PRO HA A 37 GLU HA 1.0 1.8 5.0 157 141 A 37 GLU HBx A 37 GLU H 1.0 1.8 5.0 158 142 A 37 GLU HBx A 38 GLU H 1.0 1.8 5.0 159 143 A 20 TYR HD% A 37 GLU HBx 1.0 1.8 5.0 160 144 A 37 GLU HBx A 18 VAL HB 1.0 1.8 5.0 161 145 A 40 LEU HDx% A 37 GLU HBx 1.0 1.8 5.0 162 146 A 37 GLU HBx A 46 ILE HG2% 1.0 1.8 5.0 163 147 A 37 GLU HBy A 18 VAL HB 1.0 1.8 5.0 164 148 A 20 TYR HD% A 37 GLU HBy 1.0 1.8 5.0 165 149 A 37 GLU HBy A 38 GLU H 1.0 1.8 5.0 166 150 A 20 TYR HE% A 37 GLU HGy 1.0 1.8 5.0 167 151 A 36 PRO HGx A 38 GLU HGx 1.0 1.8 5.0 168 151 A 36 PRO HGx A 38 GLU HGy 1.0 1.8 5.0 169 152 A 40 LEU HDy% A 38 GLU HGx 1.0 1.8 6.0 170 152 A 40 LEU HDy% A 38 GLU HGy 1.0 1.8 6.0 171 153 A 20 TYR HE% A 37 GLU HGx 1.0 1.8 5.0 172 154 A 44 GLU HA A 47 GLU H 1.0 1.8 5.0 173 155 A 44 GLU HA A 46 ILE H 1.0 1.8 6.0 174 156 A 44 GLU HA A 48 ALA H 1.0 1.8 6.0 175 157 A 44 GLU H A 44 GLU HBx 1.0 1.8 5.0 176 157 A 44 GLU H A 44 GLU HBy 1.0 1.8 5.0 177 158 A 44 GLU HA A 44 GLU HGx 1.0 1.8 3.5 178 158 A 44 GLU HA A 44 GLU HGy 1.0 1.8 3.5 179 159 A 44 GLU HBx A 44 GLU HGx 1.0 1.8 3.5 180 159 A 44 GLU HBy A 44 GLU HGx 1.0 1.8 3.5 181 159 A 44 GLU HGy A 44 GLU HBx 1.0 1.8 3.5 182 159 A 44 GLU HBy A 44 GLU HGy 1.0 1.8 3.5 183 160 A 44 GLU H A 44 GLU HGx 1.0 1.8 5.0 184 160 A 44 GLU H A 44 GLU HGy 1.0 1.8 5.0 185 161 A 25 LYS HGx A 26 GLY HAy 1.0 1.8 5.0 186 161 A 25 LYS HGy A 26 GLY HAy 1.0 1.8 5.0 187 162 A 10 ASP HBy A 21 PHE HBy 1.0 1.8 5.0 188 163 A 10 ASP HBy A 9 LEU HBy 1.0 1.8 5.0 189 164 A 5 VAL HGy% A 22 LEU HDx% 1.0 1.8 5.0 190 165 A 7 LYS HA A 45 LEU HBx 1.0 1.8 5.0 191 166 A 46 ILE HG2% A 47 GLU HA 1.0 1.8 5.0 192 167 A 47 GLU HA A 50 LEU HBx 1.0 1.8 5.0 193 168 A 46 ILE HB A 47 GLU HA 1.0 1.8 5.0 194 169 A 47 GLU HA A 47 GLU HGy 1.0 1.8 5.0 195 170 A 50 LEU HBy A 47 GLU HA 1.0 1.8 5.0 196 171 A 47 GLU HA A 47 GLU HGx 1.0 1.8 5.0 197 172 A 47 GLU HA A 50 LEU H 1.0 1.8 5.0 198 173 A 47 GLU H A 47 GLU HGy 1.0 1.8 5.0 199 174 A 48 ALA HA A 47 GLU HGy 1.0 1.8 5.0 200 175 A 48 ALA HA A 47 GLU HGx 1.0 1.8 5.0 201 176 A 44 GLU HA A 47 GLU HBx 1.0 1.8 5.0 202 177 A 38 GLU HBx A 38 GLU HGx 1.0 1.8 2.7 203 177 A 38 GLU HBy A 38 GLU HGx 1.0 1.8 2.7 204 177 A 38 GLU HGy A 38 GLU HBx 1.0 1.8 2.7 205 177 A 38 GLU HGy A 38 GLU HBy 1.0 1.8 2.7 206 178 A 38 GLU HA A 40 LEU H 1.0 1.8 5.0 207 179 A 38 GLU HA A 38 GLU HGx 1.0 1.8 3.5 208 179 A 38 GLU HGy A 38 GLU HA 1.0 1.8 3.5 209 180 A 38 GLU HA A 38 GLU HBx 1.0 1.8 3.5 210 180 A 38 GLU HBy A 38 GLU HA 1.0 1.8 3.5 211 181 A 38 GLU HA A 40 LEU HBx 1.0 1.8 6.0 212 181 A 40 LEU HBy A 38 GLU HA 1.0 1.8 6.0 213 182 A 37 GLU HA A 38 GLU HA 1.0 1.8 5.0 214 183 A 49 PHE HBx A 46 ILE HA 1.0 1.8 5.0 215 184 A 46 ILE HG1y A 46 ILE HA 1.0 1.8 5.0 216 185 A 46 ILE HG2% A 46 ILE HA 1.0 1.8 3.5 217 186 A 46 ILE HG1x A 46 ILE HA 1.0 1.8 5.0 218 187 A 46 ILE HB A 47 GLU HBy 1.0 1.8 5.0 219 188 A 46 ILE HG1x A 46 ILE HG2% 1.0 1.8 5.0 220 189 A 20 TYR HD% A 46 ILE HD1% 1.0 1.8 5.0 221 190 A 20 TYR HE% A 46 ILE HD1% 1.0 1.8 5.0 222 191 A 46 ILE HG2% A 46 ILE HD1% 1.0 1.8 3.5 223 192 A 46 ILE HD1% A 40 LEU HBx 1.0 1.8 5.0 224 192 A 40 LEU HBy A 46 ILE HD1% 1.0 1.8 5.0 225 193 A 46 ILE HB A 46 ILE HD1% 1.0 1.8 3.5 226 194 A 37 GLU HBx A 46 ILE HD1% 1.0 1.8 5.0 227 195 A 46 ILE HD1% A 46 ILE HA 1.0 1.8 5.0 228 196 A 12 ARG HGx A 12 ARG HDx 1.0 1.8 3.5 229 196 A 12 ARG HDy A 12 ARG HGx 1.0 1.8 3.5 230 197 A 12 ARG HBy A 12 ARG HDx 1.0 1.8 5.0 231 197 A 12 ARG HDy A 12 ARG HBy 1.0 1.8 5.0 232 198 A 12 ARG HBx A 12 ARG HDx 1.0 1.8 5.0 233 198 A 12 ARG HDy A 12 ARG HBx 1.0 1.8 5.0 234 199 A 34 TRP HBy A 12 ARG HDx 1.0 1.8 6.0 235 199 A 12 ARG HDy A 34 TRP HBy 1.0 1.8 6.0 236 200 A 34 TRP HBx A 12 ARG HDx 1.0 1.8 6.0 237 200 A 12 ARG HDy A 34 TRP HBx 1.0 1.8 6.0 238 201 A 12 ARG HA A 12 ARG HDx 1.0 1.8 5.0 239 201 A 12 ARG HDy A 12 ARG HA 1.0 1.8 5.0 240 202 A 12 ARG HGx A 12 ARG H 1.0 1.8 5.0 241 203 A 12 ARG HGx A 13 VAL HA 1.0 1.8 5.0 242 204 A 19 GLU HBy A 12 ARG HGx 1.0 1.8 5.0 243 205 A 34 TRP HE3 A 12 ARG HGy 1.0 1.8 5.0 244 206 A 19 GLU HBy A 12 ARG HGy 1.0 1.8 5.0 245 207 A 33 THR HG2% A 33 THR HA 1.0 1.8 3.5 246 208 A 37 GLU H A 36 PRO HBx 1.0 1.8 5.0 247 209 A 38 GLU H A 36 PRO HBx 1.0 1.8 5.0 248 210 A 35 GLU HBy A 36 PRO HDy 1.0 1.8 5.0 249 211 A 35 GLU HA A 36 PRO HDy 1.0 1.8 3.5 250 212 A 35 GLU HA A 36 PRO HDx 1.0 1.8 3.5 251 213 A 35 GLU HBx A 36 PRO HDx 1.0 1.8 5.0 252 214 A 35 GLU HBy A 36 PRO HDx 1.0 1.8 5.0 253 215 A 24 TRP HZ3 A 3 PHE HBy 1.0 1.8 5.0 254 216 A 21 PHE HA A 34 TRP HA 1.0 1.8 3.5 255 217 A 35 GLU HA A 34 TRP HA 1.0 1.8 5.0 256 218 A 20 TYR H A 34 TRP HA 1.0 1.8 5.0 257 219 A 45 LEU HBy A 45 LEU HDy% 1.0 1.8 5.0 258 220 A 46 ILE HG1y A 45 LEU HBy 1.0 1.8 6.0 259 221 A 45 LEU HBy A 44 GLU HGx 1.0 1.8 6.0 260 221 A 44 GLU HGy A 45 LEU HBy 1.0 1.8 6.0 261 222 A 46 ILE H A 45 LEU HBx 1.0 1.8 5.0 262 223 A 45 LEU HBx A 46 ILE HA 1.0 1.8 6.0 263 224 A 5 VAL HGy% A 7 LYS HA 1.0 1.8 5.0 264 225 A 45 LEU HA A 48 ALA HB% 1.0 1.8 3.5 265 226 A 45 LEU HA A 45 LEU HG 1.0 1.8 5.0 266 227 A 48 ALA H A 45 LEU HA 1.0 1.8 5.0 267 228 A 45 LEU HBy A 45 LEU HDx% 1.0 1.8 5.0 268 229 A 45 LEU HBx A 45 LEU HDx% 1.0 1.8 3.5 269 230 A 45 LEU HBx A 45 LEU HDy% 1.0 1.8 3.5 270 231 A 45 LEU HG A 44 GLU HBx 1.0 1.8 6.0 271 231 A 44 GLU HBy A 45 LEU HG 1.0 1.8 6.0 272 232 A 45 LEU HG A 44 GLU HGx 1.0 1.8 6.0 273 232 A 44 GLU HGy A 45 LEU HG 1.0 1.8 6.0 274 233 A 7 LYS HA A 45 LEU HG 1.0 1.8 6.0 275 234 A 46 ILE H A 45 LEU HG 1.0 1.8 6.0 276 235 A 21 PHE HE% A 32 ASN HBy 1.0 1.8 5.0 277 236 A 9 LEU HDx% A 32 ASN HBy 1.0 1.8 6.0 278 237 A 9 LEU HDx% A 32 ASN HBx 1.0 1.8 6.0 279 238 A 21 PHE HE% A 32 ASN HBx 1.0 1.8 5.0 280 239 A 48 ALA HB% A 49 PHE HA 1.0 1.8 5.0 281 240 A 49 PHE HA A 53 GLN HGx 1.0 1.8 5.0 282 240 A 53 GLN HGy A 49 PHE HA 1.0 1.8 5.0 283 241 A 49 PHE HA A 8 VAL HB 1.0 1.8 6.0 284 242 A 49 PHE HA A 8 VAL HGx% 1.0 1.8 6.0 285 243 A 49 PHE HA A 8 VAL HGy% 1.0 1.8 6.0 286 244 A 50 LEU HG A 49 PHE HBy 1.0 1.8 6.0 287 245 A 8 VAL HB A 49 PHE HBy 1.0 1.8 5.0 288 246 A 49 PHE HBy A 8 VAL HGx% 1.0 1.8 5.0 289 247 A 49 PHE HBx A 8 VAL HGx% 1.0 1.8 5.0 290 248 A 49 PHE HBx A 8 VAL HB 1.0 1.8 5.0 291 249 A 34 TRP HH2 A 10 ASP HBy 1.0 1.8 5.0 292 250 A 10 ASP HBx A 21 PHE HBy 1.0 1.8 5.0 293 251 A 10 ASP HBx A 9 LEU HBy 1.0 1.8 6.0 294 252 A 7 LYS HA A 7 LYS HGy 1.0 1.8 5.0 295 253 A 6 GLU H A 7 LYS HBx 1.0 1.8 6.0 296 253 A 6 GLU H A 7 LYS HBy 1.0 1.8 6.0 297 254 A 7 LYS HBy A 7 LYS HEx 1.0 1.8 5.0 298 254 A 7 LYS HBx A 7 LYS HEx 1.0 1.8 5.0 299 254 A 7 LYS HEy A 7 LYS HBx 1.0 1.8 5.0 300 254 A 7 LYS HBy A 7 LYS HEy 1.0 1.8 5.0 301 255 A 7 LYS HBy A 6 GLU HGx 1.0 1.8 5.0 302 255 A 6 GLU HGx A 7 LYS HBx 1.0 1.8 5.0 303 256 A 7 LYS HBy A 6 GLU HGy 1.0 1.8 5.0 304 256 A 6 GLU HGy A 7 LYS HBx 1.0 1.8 5.0 305 257 A 9 LEU HDy% A 7 LYS HBx 1.0 1.8 5.0 306 257 A 7 LYS HBy A 9 LEU HDy% 1.0 1.8 5.0 307 258 A 5 VAL HGy% A 7 LYS HBx 1.0 1.8 5.0 308 258 A 5 VAL HGy% A 7 LYS HBy 1.0 1.8 5.0 309 259 A 7 LYS HGy A 9 LEU HDy% 1.0 1.8 5.0 310 260 A 9 LEU HDy% A 7 LYS HGx 1.0 1.8 5.0 311 261 A 9 LEU HDy% A 23 LYS HGx 1.0 1.8 5.0 312 261 A 9 LEU HDy% A 23 LYS HGy 1.0 1.8 5.0 313 262 A 7 LYS HGy A 7 LYS HEx 1.0 1.8 5.0 314 262 A 7 LYS HGy A 7 LYS HEy 1.0 1.8 5.0 315 263 A 7 LYS HGy A 8 VAL H 1.0 1.8 5.0 316 264 A 7 LYS HGx A 7 LYS H 1.0 1.8 5.0 317 265 A 7 LYS HA A 7 LYS HGx 1.0 1.8 5.0 318 266 A 7 LYS HGx A 7 LYS HEx 1.0 1.8 5.0 319 266 A 7 LYS HEy A 7 LYS HGx 1.0 1.8 5.0 320 267 A 9 LEU HDy% A 7 LYS HDx 1.0 1.8 5.0 321 267 A 9 LEU HDy% A 7 LYS HDy 1.0 1.8 5.0 322 268 A 5 VAL HGy% A 7 LYS HDx 1.0 1.8 6.0 323 268 A 5 VAL HGy% A 7 LYS HDy 1.0 1.8 6.0 324 269 A 9 LEU HDx% A 7 LYS HDx 1.0 1.8 6.0 325 269 A 9 LEU HDx% A 7 LYS HDy 1.0 1.8 6.0 326 270 A 7 LYS HA A 7 LYS HDx 1.0 1.8 5.0 327 270 A 7 LYS HA A 7 LYS HDy 1.0 1.8 5.0 328 271 A 8 VAL H A 7 LYS HDx 1.0 1.8 5.0 329 271 A 8 VAL H A 7 LYS HDy 1.0 1.8 5.0 330 272 A 50 LEU HA A 51 ASN HA 1.0 1.8 5.0 331 273 A 17 LYS HA A 17 LYS HEx 1.0 1.8 5.0 332 273 A 17 LYS HA A 17 LYS HEy 1.0 1.8 5.0 333 274 A 17 LYS HA A 17 LYS HGx 1.0 1.8 5.0 334 275 A 50 LEU HA A 53 GLN HGx 1.0 1.8 5.0 335 275 A 50 LEU HA A 53 GLN HGy 1.0 1.8 5.0 336 276 A 53 GLN HA A 53 GLN HGx 1.0 1.8 5.0 337 276 A 53 GLN HGy A 53 GLN HA 1.0 1.8 5.0 338 277 A 14 VAL H A 17 LYS HBx 1.0 1.8 5.0 339 278 A 17 LYS HBx A 17 LYS HEx 1.0 1.8 5.0 340 278 A 17 LYS HEy A 17 LYS HBx 1.0 1.8 5.0 341 279 A 17 LYS HBy A 17 LYS HEx 1.0 1.8 5.0 342 279 A 17 LYS HEy A 17 LYS HBy 1.0 1.8 5.0 343 280 A 17 LYS HA A 17 LYS HDx 1.0 1.8 5.0 344 280 A 17 LYS HA A 17 LYS HDy 1.0 1.8 5.0 345 281 A 17 LYS HBy A 17 LYS HDx 1.0 1.8 5.0 346 281 A 17 LYS HBy A 17 LYS HDy 1.0 1.8 5.0 347 282 A 17 LYS HA A 17 LYS HGy 1.0 1.8 5.0 348 283 A 9 LEU HDy% A 8 VAL HA 1.0 1.8 5.0 349 284 A 9 LEU HG A 8 VAL HA 1.0 1.8 5.0 350 285 A 8 VAL HA A 7 LYS HBx 1.0 1.8 6.0 351 285 A 7 LYS HBy A 8 VAL HA 1.0 1.8 6.0 352 286 A 9 LEU HBy A 8 VAL HA 1.0 1.8 6.0 353 287 A 22 LEU HA A 8 VAL HA 1.0 1.8 5.0 354 288 A 8 VAL HB A 49 PHE H 1.0 1.8 5.0 355 289 A 7 LYS HA A 8 VAL HB 1.0 1.8 6.0 356 290 A 20 TYR HBy A 8 VAL HGy% 1.0 1.8 5.0 357 291 A 49 PHE HBx A 8 VAL HGy% 1.0 1.8 5.0 358 292 A 49 PHE HBy A 8 VAL HGy% 1.0 1.8 5.0 359 293 A 8 VAL HA A 8 VAL HGy% 1.0 1.8 3.5 360 294 A 49 PHE HD% A 8 VAL HGy% 1.0 1.8 5.0 361 295 A 8 VAL H A 8 VAL HGy% 1.0 1.8 5.0 362 296 A 9 LEU H A 8 VAL HGx% 1.0 1.8 5.0 363 297 A 49 PHE HD% A 8 VAL HGx% 1.0 1.8 5.0 364 298 A 8 VAL HA A 8 VAL HGx% 1.0 1.8 3.5 365 299 A 20 TYR HBx A 8 VAL HGx% 1.0 1.8 5.0 366 300 A 11 ARG HA A 12 ARG HGy 1.0 1.8 5.0 367 301 A 11 ARG HA A 34 TRP HZ3 1.0 1.8 5.0 368 302 A 11 ARG HA A 34 TRP HH2 1.0 1.8 5.0 369 303 A 11 ARG HA A 21 PHE H 1.0 1.8 5.0 370 304 A 11 ARG HA A 19 GLU H 1.0 1.8 6.0 371 305 A 49 PHE HE% A 11 ARG HBx 1.0 1.8 5.0 372 306 A 20 TYR HE% A 11 ARG HDy 1.0 1.8 5.0 373 307 A 49 PHE HE% A 11 ARG HDy 1.0 1.8 5.0 374 308 A 49 PHE HE% A 11 ARG HDx 1.0 1.8 5.0 375 309 A 11 ARG HBy A 11 ARG HDy 1.0 1.8 5.0 376 310 A 11 ARG HDy A 11 ARG HBx 1.0 1.8 5.0 377 311 A 18 VAL HGx% A 11 ARG HDy 1.0 1.8 5.0 378 312 A 11 ARG HBy A 11 ARG HDx 1.0 1.8 5.0 379 313 A 11 ARG HBx A 11 ARG HDx 1.0 1.8 5.0 380 314 A 18 VAL HGx% A 11 ARG HGx 1.0 1.8 5.0 381 315 A 40 LEU HG A 40 LEU HA 1.0 1.8 5.0 382 316 B 7 ALA HB% A 40 LEU HA 1.0 1.8 5.0 383 317 A 40 LEU HDx% A 40 LEU HBx 1.0 1.8 3.5 384 317 A 40 LEU HBy A 40 LEU HDx% 1.0 1.8 3.5 385 318 A 40 LEU HDy% B 7 ALA HB% 1.0 1.8 5.0 386 319 A 40 LEU HDy% A 40 LEU HBx 1.0 1.8 3.5 387 319 A 40 LEU HBy A 40 LEU HDy% 1.0 1.8 3.5 388 320 A 40 LEU HDy% A 39 ASN HBx 1.0 1.8 5.0 389 321 A 40 LEU HDy% A 39 ASN HBy 1.0 1.8 5.0 390 322 A 40 LEU HDy% A 40 LEU HA 1.0 1.8 5.0 391 323 A 40 LEU HDy% A 37 GLU HA 1.0 1.8 5.0 392 324 A 40 LEU HDx% A 40 LEU HA 1.0 1.8 5.0 393 325 A 20 TYR HA A 12 ARG H 1.0 1.8 5.0 394 326 A 20 TYR HA A 11 ARG H 1.0 1.8 5.0 395 327 A 20 TYR HD% A 20 TYR HA 1.0 1.8 5.0 396 328 A 40 LEU HDy% A 20 TYR HBx 1.0 1.8 6.0 397 329 A 40 LEU HDx% A 20 TYR HBx 1.0 1.8 5.0 398 330 A 20 TYR HBx A 8 VAL HGy% 1.0 1.8 5.0 399 331 A 40 LEU HDx% A 20 TYR HBy 1.0 1.8 5.0 400 332 A 40 LEU HDy% A 20 TYR HBy 1.0 1.8 5.0 401 333 A 20 TYR HBy A 8 VAL HGx% 1.0 1.8 5.0 402 334 A 24 TRP HBy A 27 PHE HBy 1.0 1.8 6.0 403 335 A 27 PHE HBy A 24 TRP HBx 1.0 1.8 6.0 404 336 A 23 LYS HDy A 24 TRP HA 1.0 1.8 5.0 405 337 A 24 TRP HA A 5 VAL HA 1.0 1.8 5.0 406 338 B 7 ALA HB% A 5 VAL HGx% 1.0 1.8 3.5 407 339 A 5 VAL HGx% A 42 CYS HBx 1.0 1.8 6.0 408 340 A 5 VAL HGx% A 42 CYS HBy 1.0 1.8 6.0 409 341 A 5 VAL HGx% A 5 VAL HA 1.0 1.8 3.5 410 342 A 5 VAL HGx% A 4 VAL HA 1.0 1.8 5.0 411 343 A 5 VAL HGx% A 7 LYS HA 1.0 1.8 5.0 412 344 A 5 VAL HGx% A 24 TRP HA 1.0 1.8 6.0 413 345 A 24 TRP HH2 A 5 VAL HGx% 1.0 1.8 5.0 414 346 A 5 VAL HGx% A 24 TRP HZ3 1.0 1.8 5.0 415 347 A 5 VAL HGx% A 5 VAL H 1.0 1.8 3.5 416 348 A 5 VAL HGy% A 8 VAL H 1.0 1.8 5.0 417 349 A 5 VAL HGy% A 24 TRP HA 1.0 1.8 5.0 418 350 A 5 VAL HGy% A 8 VAL HA 1.0 1.8 5.0 419 351 A 5 VAL HGy% A 5 VAL HA 1.0 1.8 3.5 420 352 A 18 VAL HA A 18 VAL HGy% 1.0 1.8 3.5 421 353 A 18 VAL HGx% A 18 VAL HA 1.0 1.8 3.5 422 354 A 18 VAL HA A 13 VAL HB 1.0 1.8 6.0 423 355 A 18 VAL HA A 17 LYS HDx 1.0 1.8 6.0 424 355 A 17 LYS HDy A 18 VAL HA 1.0 1.8 6.0 425 356 A 17 LYS HBy A 18 VAL HA 1.0 1.8 6.0 426 357 A 14 VAL H A 18 VAL HA 1.0 1.8 5.0 427 358 A 18 VAL HB A 17 LYS HA 1.0 1.8 6.0 428 359 A 18 VAL HB A 37 GLU HGy 1.0 1.8 5.0 429 360 A 18 VAL HB A 37 GLU HGx 1.0 1.8 5.0 430 361 A 18 VAL HB A 17 LYS HGx 1.0 1.8 5.0 431 362 A 18 VAL HGx% A 11 ARG HGy 1.0 1.8 5.0 432 363 A 37 GLU HBy A 18 VAL HGx% 1.0 1.8 5.0 433 364 A 37 GLU HBx A 18 VAL HGx% 1.0 1.8 5.0 434 365 A 18 VAL HGx% A 11 ARG HDx 1.0 1.8 5.0 435 366 A 20 TYR HD% A 18 VAL HGx% 1.0 1.8 5.0 436 367 A 20 TYR HE% A 18 VAL HGx% 1.0 1.8 5.0 437 368 A 19 GLU H A 18 VAL HGy% 1.0 1.8 5.0 438 369 A 17 LYS HA A 18 VAL HGy% 1.0 1.8 5.0 439 370 A 54 LYS H A 53 GLN HA 1.0 1.8 5.0 440 371 A 10 ASP HBx A 21 PHE HA 1.0 1.8 6.0 441 372 A 10 ASP HBy A 21 PHE HBx 1.0 1.8 5.0 442 373 A 10 ASP HBx A 21 PHE HBx 1.0 1.8 5.0 443 374 A 14 VAL H A 13 VAL HB 1.0 1.8 6.0 444 375 A 13 VAL H A 13 VAL HGx% 1.0 1.8 5.0 445 376 A 13 VAL HA A 13 VAL HGx% 1.0 1.8 3.5 446 377 A 18 VAL HA A 13 VAL HGx% 1.0 1.8 6.0 447 378 A 13 VAL HA A 13 VAL HGy% 1.0 1.8 3.5 448 379 A 18 VAL HA A 13 VAL HGy% 1.0 1.8 6.0 449 380 A 23 LYS HDy A 23 LYS HA 1.0 1.8 5.0 450 381 A 23 LYS HA A 23 LYS HDx 1.0 1.8 5.0 451 382 A 23 LYS HA A 23 LYS HGx 1.0 1.8 5.0 452 382 A 23 LYS HGy A 23 LYS HA 1.0 1.8 5.0 453 383 A 9 LEU HDx% A 23 LYS HA 1.0 1.8 5.0 454 384 A 23 LYS HBy A 9 LEU HG 1.0 1.8 5.0 455 385 A 23 LYS HBy A 9 LEU HDy% 1.0 1.8 5.0 456 386 A 23 LYS HBy A 7 LYS H 1.0 1.8 5.0 457 387 A 6 GLU H A 23 LYS HBx 1.0 1.8 5.0 458 388 A 9 LEU HDy% A 23 LYS HBx 1.0 1.8 5.0 459 389 A 5 VAL HGy% A 23 LYS HBx 1.0 1.8 5.0 460 390 A 9 LEU HDx% A 23 LYS HBx 1.0 1.8 5.0 461 391 A 23 LYS HGy A 23 LYS HEy 1.0 1.8 5.0 462 391 A 23 LYS HEy A 23 LYS HGx 1.0 1.8 5.0 463 392 A 23 LYS HGy A 23 LYS HEx 1.0 1.8 5.0 464 392 A 23 LYS HEx A 23 LYS HGx 1.0 1.8 5.0 465 393 A 28 THR HA A 28 THR HG2% 1.0 1.8 3.5 466 394 A 9 LEU HG A 9 LEU HA 1.0 1.8 5.0 467 395 A 9 LEU HDx% A 9 LEU HA 1.0 1.8 5.0 468 396 A 9 LEU HBy A 9 LEU HDy% 1.0 1.8 5.0 469 397 A 9 LEU HBy A 9 LEU HDx% 1.0 1.8 5.0 470 398 A 9 LEU H A 9 LEU HBx 1.0 1.8 5.0 471 399 A 9 LEU HDy% A 9 LEU HBx 1.0 1.8 5.0 472 400 A 9 LEU HDy% A 9 LEU HA 1.0 1.8 3.5 473 401 A 9 LEU HDy% A 7 LYS HEx 1.0 1.8 5.0 474 401 A 7 LYS HEy A 9 LEU HDy% 1.0 1.8 5.0 475 402 A 23 LYS HBy A 9 LEU HDx% 1.0 1.8 5.0 476 403 A 9 LEU HDx% A 9 LEU HBx 1.0 1.8 3.5 477 404 A 9 LEU HDx% A 23 LYS HGx 1.0 1.8 5.0 478 404 A 9 LEU HDx% A 23 LYS HGy 1.0 1.8 5.0 479 405 A 21 PHE HE% A 9 LEU HDx% 1.0 1.8 5.0 480 406 A 4 VAL HA A 5 VAL H 1.0 1.8 3.5 481 407 A 4 VAL HA A 4 VAL HGx% 1.0 1.8 3.5 482 408 A 5 VAL HB A 4 VAL HA 1.0 1.8 5.0 483 409 A 5 VAL H A 4 VAL HB 1.0 1.8 5.0 484 410 A 4 VAL H A 4 VAL HGx% 1.0 1.8 5.0 485 411 A 25 LYS HEy A 4 VAL HGy% 1.0 1.8 5.0 486 411 A 4 VAL HGy% A 25 LYS HEx 1.0 1.8 5.0 487 412 A 4 VAL HA A 4 VAL HGy% 1.0 1.8 3.5 488 413 A 4 VAL H A 4 VAL HGy% 1.0 1.8 5.0 489 414 A 48 ALA HA A 51 ASN HBx 1.0 1.8 3.5 490 414 A 48 ALA HA A 51 ASN HBy 1.0 1.8 3.5 491 415 A 48 ALA HB% A 51 ASN HBx 1.0 1.8 5.0 492 415 A 48 ALA HB% A 51 ASN HBy 1.0 1.8 5.0 493 416 A 5 VAL HGy% A 6 GLU HA 1.0 1.8 5.0 494 417 A 46 ILE HD1% A 40 LEU HA 1.0 1.8 6.0 495 418 A 7 LYS HGy A 6 GLU HBx 1.0 1.8 5.0 496 418 A 6 GLU HBy A 7 LYS HGy 1.0 1.8 5.0 497 419 A 6 GLU HA A 6 GLU HGy 1.0 1.8 5.0 498 420 A 50 LEU HA A 50 LEU HG 1.0 1.8 5.0 499 421 A 50 LEU HA A 53 GLN HE2x 1.0 1.8 5.0 500 422 A 50 LEU H A 50 LEU HDy% 1.0 1.8 5.0 501 423 A 53 GLN HE2x A 50 LEU HDy% 1.0 1.8 6.0 502 424 A 50 LEU HA A 50 LEU HDy% 1.0 1.8 5.0 503 425 A 50 LEU HBx A 50 LEU HDy% 1.0 1.8 3.5 504 426 A 50 LEU HBx A 50 LEU HDx% 1.0 1.8 3.5 505 427 A 50 LEU HA A 50 LEU HDx% 1.0 1.8 5.0 506 428 A 50 LEU HG A 53 GLN HE2x 1.0 1.8 5.0 507 429 A 50 LEU HG A 46 ILE HG2% 1.0 1.8 5.0 508 430 A 24 TRP HZ3 A 3 PHE HBx 1.0 1.8 5.0 509 431 A 34 TRP HA A 12 ARG HDx 1.0 1.8 6.0 510 431 A 12 ARG HDy A 34 TRP HA 1.0 1.8 6.0 511 432 A 19 GLU HBx A 34 TRP HA 1.0 1.8 6.0 512 433 A 53 GLN HE2x A 50 LEU HDx% 1.0 1.8 6.0 513 434 A 24 TRP HBy A 27 PHE HBx 1.0 1.8 6.0 514 435 A 24 TRP HBx A 27 PHE HBx 1.0 1.8 6.0 515 436 A 53 GLN HA A 53 GLN HE2x 1.0 1.8 6.0 516 437 A 13 VAL HA A 16 GLY HAy 1.0 1.8 6.0 517 438 A 25 LYS HA A 27 PHE H 1.0 1.8 5.0 518 439 A 27 PHE HD% A 27 PHE H 1.0 1.8 5.0 519 440 A 27 PHE H A 28 THR H 1.0 1.8 5.0 520 441 A 15 ASN HA A 16 GLY H 1.0 1.8 3.5 521 442 A 20 TYR H A 36 PRO HA 1.0 1.8 5.0 522 443 A 20 TYR H A 20 TYR HBx 1.0 1.8 5.0 523 444 A 20 TYR H A 20 TYR HBy 1.0 1.8 3.5 524 445 A 6 GLU H A 23 LYS H 1.0 1.8 5.0 525 446 A 23 LYS H A 24 TRP H 1.0 1.8 5.0 526 447 A 23 LYS HBy A 23 LYS H 1.0 1.8 3.5 527 448 A 23 LYS HBx A 23 LYS H 1.0 1.8 3.5 528 449 A 9 LEU HG A 23 LYS H 1.0 1.8 5.0 529 450 A 23 LYS HDy A 23 LYS H 1.0 1.8 5.0 530 451 A 8 VAL HA A 23 LYS H 1.0 1.8 5.0 531 452 A 36 PRO HGx A 39 ASN H 1.0 1.8 5.0 532 453 A 39 ASN H A 38 GLU HBx 1.0 1.8 5.0 533 453 A 38 GLU HBy A 39 ASN H 1.0 1.8 5.0 534 454 A 39 ASN H A 38 GLU HGx 1.0 1.8 5.0 535 454 A 38 GLU HGy A 39 ASN H 1.0 1.8 5.0 536 455 A 40 LEU HDy% A 39 ASN H 1.0 1.8 5.0 537 456 A 39 ASN H A 39 ASN HBx 1.0 1.8 5.0 538 457 A 39 ASN H A 39 ASN HBy 1.0 1.8 5.0 539 458 A 37 GLU HA A 39 ASN H 1.0 1.8 5.0 540 459 A 17 LYS H A 16 GLY HAx 1.0 1.8 5.0 541 460 A 17 LYS H A 16 GLY H 1.0 1.8 3.5 542 461 A 50 LEU H A 49 PHE H 1.0 1.8 3.5 543 462 A 50 LEU H A 53 GLN HE2x 1.0 1.8 5.0 544 463 A 50 LEU H A 49 PHE HBy 1.0 1.8 5.0 545 464 A 49 PHE HBx A 50 LEU H 1.0 1.8 3.5 546 465 A 50 LEU HG A 50 LEU H 1.0 1.8 3.5 547 466 A 50 LEU HBy A 50 LEU H 1.0 1.8 3.5 548 467 A 50 LEU H A 50 LEU HDx% 1.0 1.8 5.0 549 468 A 20 TYR HD% A 20 TYR H 1.0 1.8 5.0 550 469 A 34 TRP HZ3 A 20 TYR H 1.0 1.8 5.0 551 470 A 20 TYR H A 19 GLU HA 1.0 1.8 3.5 552 471 A 20 TYR H A 22 LEU H 1.0 1.8 6.0 553 472 A 19 GLU HBx A 20 TYR H 1.0 1.8 5.0 554 473 A 20 TYR H A 19 GLU HBy 1.0 1.8 5.0 555 474 A 40 LEU HDx% A 20 TYR H 1.0 1.8 5.0 556 475 A 40 LEU HDy% A 20 TYR H 1.0 1.8 5.0 557 476 A 22 LEU HA A 23 LYS H 1.0 1.8 2.7 558 477 A 22 LEU HBy A 23 LYS H 1.0 1.8 5.0 559 478 A 5 VAL HGy% A 23 LYS H 1.0 1.8 5.0 560 479 A 22 LEU HBx A 23 LYS H 1.0 1.8 5.0 561 480 A 40 LEU HDx% A 38 GLU H 1.0 1.8 6.0 562 481 A 40 LEU HDy% A 38 GLU H 1.0 1.8 6.0 563 482 A 38 GLU H A 38 GLU HBx 1.0 1.8 3.5 564 482 A 38 GLU H A 38 GLU HBy 1.0 1.8 3.5 565 483 A 38 GLU H A 38 GLU HGx 1.0 1.8 5.0 566 483 A 38 GLU H A 38 GLU HGy 1.0 1.8 5.0 567 484 A 38 GLU H A 36 PRO HBy 1.0 1.8 5.0 568 485 A 40 LEU HG A 38 GLU H 1.0 1.8 6.0 569 486 A 36 PRO HGx A 38 GLU H 1.0 1.8 5.0 570 487 A 36 PRO HA A 38 GLU H 1.0 1.8 5.0 571 488 A 32 ASN H A 31 ASP HBx 1.0 1.8 5.0 572 489 A 32 ASN H A 31 ASP HBy 1.0 1.8 5.0 573 490 A 32 ASN H A 32 ASN HBy 1.0 1.8 5.0 574 491 A 32 ASN H A 30 ALA HA 1.0 1.8 5.0 575 492 A 32 ASN H A 31 ASP H 1.0 1.8 3.5 576 493 A 14 VAL H A 13 VAL HGy% 1.0 1.8 5.0 577 494 A 14 VAL H A 13 VAL HGx% 1.0 1.8 5.0 578 495 A 14 VAL H A 14 VAL HB 1.0 1.8 3.5 579 496 A 27 PHE H A 25 LYS HGx 1.0 1.8 6.0 580 496 A 25 LYS HGy A 27 PHE H 1.0 1.8 6.0 581 497 A 2 GLU H A 2 GLU HBx 1.0 1.8 5.0 582 497 A 2 GLU H A 2 GLU HBy 1.0 1.8 5.0 583 498 A 2 GLU H A 2 GLU HGy 1.0 1.8 6.0 584 499 A 2 GLU H A 2 GLU HGx 1.0 1.8 6.0 585 500 A 23 LYS H A 22 LEU H 1.0 1.8 5.0 586 501 A 44 GLU H A 45 LEU H 1.0 1.8 5.0 587 502 A 43 PRO HDy A 45 LEU H 1.0 1.8 5.0 588 503 A 45 LEU H A 44 GLU HBx 1.0 1.8 5.0 589 503 A 44 GLU HBy A 45 LEU H 1.0 1.8 5.0 590 504 A 45 LEU HBy A 45 LEU H 1.0 1.8 3.5 591 505 A 45 LEU HG A 45 LEU H 1.0 1.8 5.0 592 506 A 45 LEU HBx A 45 LEU H 1.0 1.8 5.0 593 507 A 45 LEU H A 45 LEU HDy% 1.0 1.8 5.0 594 508 A 45 LEU H A 45 LEU HDx% 1.0 1.8 5.0 595 509 A 23 LYS HA A 32 ASN H 1.0 1.8 6.0 596 510 A 32 ASN H A 32 ASN HBx 1.0 1.8 5.0 597 511 A 23 LYS HDx A 32 ASN H 1.0 1.8 6.0 598 512 A 33 THR HG2% A 32 ASN H 1.0 1.8 5.0 599 513 A 46 ILE HG2% A 48 ALA H 1.0 1.8 6.0 600 514 A 46 ILE HG2% A 49 PHE H 1.0 1.8 6.0 601 515 A 48 ALA H A 48 ALA HB% 1.0 1.8 3.5 602 516 A 48 ALA HB% A 49 PHE H 1.0 1.8 3.5 603 517 A 46 ILE HB A 48 ALA H 1.0 1.8 6.0 604 518 A 48 ALA H A 47 GLU HBx 1.0 1.8 3.5 605 519 A 48 ALA H A 47 GLU HGx 1.0 1.8 5.0 606 520 A 48 ALA H A 47 GLU HGy 1.0 1.8 5.0 607 521 A 47 GLU H A 48 ALA H 1.0 1.8 3.5 608 522 A 49 PHE H A 51 ASN H 1.0 1.8 5.0 609 523 A 38 GLU H A 39 ASN H 1.0 1.8 5.0 610 524 A 46 ILE HG1y A 47 GLU H 1.0 1.8 6.0 611 525 A 46 ILE HD1% A 47 GLU H 1.0 1.8 5.0 612 526 A 46 ILE HG2% A 47 GLU H 1.0 1.8 5.0 613 527 A 47 GLU H A 48 ALA HB% 1.0 1.8 5.0 614 528 A 46 ILE HG1x A 47 GLU H 1.0 1.8 5.0 615 529 A 47 GLU H A 47 GLU HGx 1.0 1.8 5.0 616 530 A 47 GLU H A 47 GLU HBx 1.0 1.8 3.5 617 531 A 47 GLU H A 47 GLU HBy 1.0 1.8 3.5 618 532 A 46 ILE HB A 47 GLU H 1.0 1.8 3.5 619 533 A 43 PRO HA A 47 GLU H 1.0 1.8 5.0 620 534 A 47 GLU H A 45 LEU H 1.0 1.8 5.0 621 535 A 47 GLU H A 46 ILE H 1.0 1.8 3.5 622 536 A 47 GLU H A 50 LEU H 1.0 1.8 6.0 623 537 A 13 VAL H A 13 VAL HGy% 1.0 1.8 5.0 624 538 A 12 ARG HGx A 13 VAL H 1.0 1.8 3.5 625 539 A 12 ARG HGy A 13 VAL H 1.0 1.8 5.0 626 540 A 12 ARG HBy A 13 VAL H 1.0 1.8 3.5 627 541 A 12 ARG HBx A 13 VAL H 1.0 1.8 5.0 628 542 A 13 VAL HB A 13 VAL H 1.0 1.8 3.5 629 543 A 13 VAL H A 12 ARG HDx 1.0 1.8 5.0 630 543 A 12 ARG HDy A 13 VAL H 1.0 1.8 5.0 631 544 A 12 ARG HA A 13 VAL H 1.0 1.8 2.7 632 545 A 14 VAL H A 13 VAL H 1.0 1.8 5.0 633 546 A 12 ARG H A 13 VAL H 1.0 1.8 5.0 634 547 A 53 GLN H A 53 GLN HGx 1.0 1.8 3.5 635 547 A 53 GLN HGy A 53 GLN H 1.0 1.8 3.5 636 548 A 50 LEU HA A 53 GLN H 1.0 1.8 5.0 637 549 A 53 GLN H A 52 SER H 1.0 1.8 3.5 638 550 A 54 LYS H A 53 GLN H 1.0 1.8 3.5 639 551 A 35 GLU H A 34 TRP H 1.0 1.8 5.0 640 552 A 34 TRP H A 24 TRP HE1 1.0 1.8 6.0 641 553 A 34 TRP HD1 A 34 TRP H 1.0 1.8 5.0 642 554 A 34 TRP H A 33 THR H 1.0 1.8 5.0 643 555 A 21 PHE HE% A 34 TRP H 1.0 1.8 5.0 644 556 A 33 THR HA A 34 TRP H 1.0 1.8 3.5 645 557 A 33 THR HB A 34 TRP H 1.0 1.8 3.5 646 558 A 34 TRP HBy A 34 TRP H 1.0 1.8 3.5 647 559 A 33 THR HG2% A 34 TRP H 1.0 1.8 5.0 648 560 A 19 GLU HA A 37 GLU H 1.0 1.8 3.5 649 561 A 36 PRO HA A 37 GLU H 1.0 1.8 3.5 650 562 A 37 GLU H A 18 VAL HB 1.0 1.8 5.0 651 563 A 37 GLU HBy A 37 GLU H 1.0 1.8 3.5 652 564 A 37 GLU H A 36 PRO HBy 1.0 1.8 5.0 653 565 A 18 VAL HGx% A 37 GLU H 1.0 1.8 5.0 654 566 A 40 LEU HDx% A 37 GLU H 1.0 1.8 6.0 655 567 A 40 LEU HDy% A 37 GLU H 1.0 1.8 6.0 656 568 A 37 GLU H A 17 LYS HGx 1.0 1.8 6.0 657 569 A 37 GLU H A 17 LYS HDx 1.0 1.8 6.0 658 569 A 37 GLU H A 17 LYS HDy 1.0 1.8 6.0 659 570 A 40 LEU HG A 37 GLU H 1.0 1.8 6.0 660 571 A 37 GLU H A 38 GLU H 1.0 1.8 5.0 661 572 A 20 TYR H A 37 GLU H 1.0 1.8 6.0 662 573 A 3 PHE HA A 4 VAL H 1.0 1.8 3.5 663 574 A 4 VAL H A 24 TRP HZ3 1.0 1.8 6.0 664 575 A 4 VAL H A 3 PHE HBx 1.0 1.8 5.0 665 576 A 4 VAL H A 3 PHE HBy 1.0 1.8 5.0 666 577 A 4 VAL H A 4 VAL HB 1.0 1.8 5.0 667 578 A 35 GLU H A 34 TRP HBx 1.0 1.8 5.0 668 579 A 35 GLU H A 21 PHE HA 1.0 1.8 5.0 669 580 A 35 GLU H A 34 TRP HA 1.0 1.8 3.5 670 581 A 34 TRP HZ3 A 35 GLU H 1.0 1.8 6.0 671 582 A 20 TYR H A 35 GLU H 1.0 1.8 5.0 672 583 A 35 GLU H A 35 GLU HBy 1.0 1.8 3.5 673 584 A 19 GLU HBx A 35 GLU H 1.0 1.8 5.0 674 585 A 35 GLU H A 35 GLU HBx 1.0 1.8 5.0 675 586 A 20 TYR HBy A 35 GLU H 1.0 1.8 5.0 676 587 A 35 GLU H A 35 GLU HGy 1.0 1.8 5.0 677 588 A 35 GLU H A 20 TYR HBx 1.0 1.8 6.0 678 589 A 35 GLU H A 22 LEU HG 1.0 1.8 6.0 679 590 A 40 LEU HDy% A 35 GLU H 1.0 1.8 5.0 680 591 A 35 GLU H A 22 LEU HDx% 1.0 1.8 5.0 681 592 A 35 GLU H A 22 LEU HDy% 1.0 1.8 5.0 682 593 A 17 LYS H A 17 LYS HGy 1.0 1.8 3.5 683 594 A 17 LYS H A 17 LYS HGx 1.0 1.8 5.0 684 595 A 17 LYS H A 17 LYS HBx 1.0 1.8 3.5 685 596 A 17 LYS H A 17 LYS HBy 1.0 1.8 5.0 686 597 A 17 LYS H A 15 ASN HBy 1.0 1.8 5.0 687 598 A 17 LYS H A 17 LYS HEx 1.0 1.8 6.0 688 598 A 17 LYS H A 17 LYS HEy 1.0 1.8 6.0 689 599 A 17 LYS H A 15 ASN HA 1.0 1.8 5.0 690 600 A 46 ILE HG1y A 46 ILE H 1.0 1.8 5.0 691 601 A 46 ILE HD1% A 46 ILE H 1.0 1.8 5.0 692 602 A 46 ILE HG2% A 46 ILE H 1.0 1.8 5.0 693 603 A 46 ILE HG1x A 46 ILE H 1.0 1.8 3.5 694 604 A 46 ILE H A 45 LEU HBy 1.0 1.8 3.5 695 605 A 46 ILE HB A 46 ILE H 1.0 1.8 3.5 696 606 A 43 PRO HA A 46 ILE H 1.0 1.8 5.0 697 607 A 46 ILE H A 45 LEU H 1.0 1.8 3.5 698 608 A 44 GLU H A 46 ILE H 1.0 1.8 5.0 699 609 A 24 TRP HE1 A 33 THR H 1.0 1.8 3.5 700 610 A 22 LEU H A 33 THR H 1.0 1.8 5.0 701 611 A 33 THR H A 32 ASN HA 1.0 1.8 3.5 702 612 A 23 LYS HA A 33 THR H 1.0 1.8 5.0 703 613 A 33 THR HG2% A 33 THR H 1.0 1.8 3.5 704 614 A 22 LEU HBy A 33 THR H 1.0 1.8 5.0 705 615 A 5 VAL HGy% A 33 THR H 1.0 1.8 6.0 706 616 A 9 LEU HDx% A 33 THR H 1.0 1.8 6.0 707 617 A 22 LEU HBx A 33 THR H 1.0 1.8 6.0 708 618 A 50 LEU HBx A 50 LEU H 1.0 1.8 5.0 709 619 A 46 ILE HG2% A 50 LEU H 1.0 1.8 5.0 710 620 A 50 LEU H A 51 ASN HBx 1.0 1.8 5.0 711 620 A 50 LEU H A 51 ASN HBy 1.0 1.8 5.0 712 621 A 50 LEU H A 48 ALA HA 1.0 1.8 6.0 713 622 A 11 ARG H A 10 ASP H 1.0 1.8 5.0 714 623 A 49 PHE HE% A 11 ARG H 1.0 1.8 6.0 715 624 A 34 TRP HH2 A 11 ARG H 1.0 1.8 5.0 716 625 A 11 ARG H A 10 ASP HA 1.0 1.8 3.5 717 626 A 11 ARG H A 11 ARG HDy 1.0 1.8 6.0 718 627 A 11 ARG H A 11 ARG HDx 1.0 1.8 6.0 719 628 A 10 ASP HBy A 11 ARG H 1.0 1.8 5.0 720 629 A 10 ASP HBx A 11 ARG H 1.0 1.8 5.0 721 630 A 11 ARG H A 11 ARG HBy 1.0 1.8 5.0 722 631 A 11 ARG H A 11 ARG HBx 1.0 1.8 5.0 723 632 A 11 ARG H A 11 ARG HGy 1.0 1.8 6.0 724 633 A 12 ARG HBx A 11 ARG H 1.0 1.8 6.0 725 634 A 11 ARG H A 11 ARG HGx 1.0 1.8 6.0 726 635 A 21 PHE H A 11 ARG H 1.0 1.8 5.0 727 636 A 40 LEU H A 38 GLU HGx 1.0 1.8 5.0 728 636 A 38 GLU HGy A 40 LEU H 1.0 1.8 5.0 729 637 A 35 GLU HBx A 40 LEU H 1.0 1.8 5.0 730 638 A 40 LEU H A 36 PRO HGy 1.0 1.8 6.0 731 639 A 40 LEU H A 40 LEU HBx 1.0 1.8 3.5 732 639 A 40 LEU HBy A 40 LEU H 1.0 1.8 3.5 733 640 A 40 LEU HG A 40 LEU H 1.0 1.8 5.0 734 641 A 40 LEU HDy% A 40 LEU H 1.0 1.8 3.5 735 642 A 40 LEU HDx% A 40 LEU H 1.0 1.8 5.0 736 643 A 40 LEU H A 36 PRO HDx 1.0 1.8 6.0 737 644 A 37 GLU HA A 40 LEU H 1.0 1.8 5.0 738 645 A 40 LEU H A 39 ASN H 1.0 1.8 3.5 739 646 A 40 LEU H A 41 ASP H 1.0 1.8 5.0 740 647 A 38 GLU H A 40 LEU H 1.0 1.8 5.0 741 648 A 8 VAL H A 8 VAL HGx% 1.0 1.8 5.0 742 649 A 8 VAL H A 45 LEU HDx% 1.0 1.8 6.0 743 650 A 8 VAL H A 45 LEU HDy% 1.0 1.8 6.0 744 651 A 8 VAL HB A 8 VAL H 1.0 1.8 3.5 745 652 A 8 VAL H A 7 LYS HBx 1.0 1.8 3.5 746 652 A 7 LYS HBy A 8 VAL H 1.0 1.8 3.5 747 653 A 45 LEU HBx A 8 VAL H 1.0 1.8 5.0 748 654 A 7 LYS HGx A 8 VAL H 1.0 1.8 5.0 749 655 A 46 ILE HA A 8 VAL H 1.0 1.8 6.0 750 656 A 49 PHE HBy A 8 VAL H 1.0 1.8 6.0 751 657 A 7 LYS HA A 8 VAL H 1.0 1.8 2.7 752 658 A 17 LYS H A 18 VAL H 1.0 1.8 5.0 753 659 A 17 LYS HA A 18 VAL H 1.0 1.8 2.7 754 660 A 18 VAL H A 17 LYS HEx 1.0 1.8 5.0 755 660 A 17 LYS HEy A 18 VAL H 1.0 1.8 5.0 756 661 A 17 LYS HBy A 18 VAL H 1.0 1.8 3.5 757 662 A 18 VAL HB A 18 VAL H 1.0 1.8 3.5 758 663 A 17 LYS HBx A 18 VAL H 1.0 1.8 5.0 759 664 A 17 LYS HGy A 18 VAL H 1.0 1.8 5.0 760 665 A 17 LYS HGx A 18 VAL H 1.0 1.8 5.0 761 666 A 18 VAL HGy% A 18 VAL H 1.0 1.8 3.5 762 667 A 18 VAL HGx% A 18 VAL H 1.0 1.8 5.0 763 668 A 18 VAL H A 37 GLU HGy 1.0 1.8 5.0 764 669 A 18 VAL H A 37 GLU HGx 1.0 1.8 5.0 765 670 A 9 LEU H A 8 VAL HGy% 1.0 1.8 5.0 766 671 A 9 LEU HDx% A 9 LEU H 1.0 1.8 5.0 767 672 A 9 LEU HDy% A 9 LEU H 1.0 1.8 5.0 768 673 A 9 LEU HBy A 9 LEU H 1.0 1.8 3.5 769 674 A 8 VAL HB A 9 LEU H 1.0 1.8 5.0 770 675 A 22 LEU HA A 9 LEU H 1.0 1.8 5.0 771 676 A 8 VAL HA A 9 LEU H 1.0 1.8 3.5 772 677 A 9 LEU H A 23 LYS H 1.0 1.8 6.0 773 678 A 8 VAL H A 9 LEU H 1.0 1.8 5.0 774 679 A 9 LEU HG A 9 LEU H 1.0 1.8 3.5 775 680 A 20 TYR HBy A 9 LEU H 1.0 1.8 6.0 776 681 A 9 LEU H A 20 TYR HBx 1.0 1.8 6.0 777 682 A 20 TYR HD% A 9 LEU H 1.0 1.8 6.0 778 683 A 12 ARG H A 12 ARG HDx 1.0 1.8 5.0 779 683 A 12 ARG HDy A 12 ARG H 1.0 1.8 5.0 780 684 A 12 ARG H A 11 ARG HBy 1.0 1.8 5.0 781 685 A 19 GLU HBy A 12 ARG H 1.0 1.8 5.0 782 686 A 12 ARG H A 11 ARG HBx 1.0 1.8 5.0 783 687 A 12 ARG H A 11 ARG HGy 1.0 1.8 5.0 784 688 A 12 ARG H A 12 ARG HGy 1.0 1.8 5.0 785 689 A 12 ARG H A 11 ARG HGx 1.0 1.8 5.0 786 690 A 18 VAL HGx% A 12 ARG H 1.0 1.8 5.0 787 691 A 12 ARG H A 11 ARG HDy 1.0 1.8 6.0 788 692 A 12 ARG H A 11 ARG HDx 1.0 1.8 6.0 789 693 A 12 ARG H A 18 VAL HA 1.0 1.8 5.0 790 694 A 11 ARG HA A 12 ARG H 1.0 1.8 3.5 791 695 A 34 TRP HE3 A 12 ARG H 1.0 1.8 5.0 792 696 A 34 TRP HH2 A 12 ARG H 1.0 1.8 5.0 793 697 A 12 ARG H A 19 GLU H 1.0 1.8 5.0 794 698 A 40 LEU HA A 41 ASP H 1.0 1.8 3.5 795 699 A 41 ASP H A 41 ASP HBy 1.0 1.8 5.0 796 700 A 41 ASP H A 41 ASP HBx 1.0 1.8 5.0 797 701 A 41 ASP H A 40 LEU HBx 1.0 1.8 5.0 798 701 A 40 LEU HBy A 41 ASP H 1.0 1.8 5.0 799 702 A 40 LEU HG A 41 ASP H 1.0 1.8 6.0 800 703 A 5 VAL HGx% A 41 ASP H 1.0 1.8 5.0 801 704 A 40 LEU HDy% A 41 ASP H 1.0 1.8 6.0 802 705 A 42 CYS H A 41 ASP H 1.0 1.8 5.0 803 706 A 20 TYR H A 21 PHE H 1.0 1.8 5.0 804 707 A 9 LEU H A 21 PHE H 1.0 1.8 5.0 805 708 A 34 TRP HZ3 A 21 PHE H 1.0 1.8 5.0 806 709 A 20 TYR HD% A 21 PHE H 1.0 1.8 5.0 807 710 A 34 TRP HE3 A 21 PHE H 1.0 1.8 5.0 808 711 A 34 TRP HH2 A 21 PHE H 1.0 1.8 5.0 809 712 A 20 TYR HA A 21 PHE H 1.0 1.8 3.5 810 713 A 10 ASP HBx A 21 PHE H 1.0 1.8 5.0 811 714 A 20 TYR HBy A 21 PHE H 1.0 1.8 5.0 812 715 A 20 TYR HBx A 21 PHE H 1.0 1.8 5.0 813 716 A 21 PHE H A 21 PHE HBy 1.0 1.8 3.5 814 717 A 21 PHE H A 21 PHE HBx 1.0 1.8 3.5 815 718 A 27 PHE HD% A 28 THR H 1.0 1.8 5.0 816 719 A 27 PHE HA A 28 THR H 1.0 1.8 3.5 817 720 A 28 THR H A 27 PHE HBy 1.0 1.8 5.0 818 721 A 28 THR H A 27 PHE HBx 1.0 1.8 5.0 819 722 A 28 THR H A 31 ASP HBy 1.0 1.8 5.0 820 723 A 28 THR H A 31 ASP HBx 1.0 1.8 5.0 821 724 A 28 THR HG2% A 28 THR H 1.0 1.8 3.5 822 725 A 25 LYS H A 25 LYS HGx 1.0 1.8 5.0 823 725 A 25 LYS HGy A 25 LYS H 1.0 1.8 5.0 824 726 A 25 LYS H A 6 GLU HBx 1.0 1.8 6.0 825 726 A 6 GLU HBy A 25 LYS H 1.0 1.8 6.0 826 727 A 25 LYS H A 5 VAL HA 1.0 1.8 5.0 827 728 A 6 GLU H A 5 VAL HA 1.0 1.8 3.5 828 729 A 6 GLU H A 24 TRP HA 1.0 1.8 5.0 829 730 A 5 VAL HGx% A 6 GLU H 1.0 1.8 5.0 830 731 A 5 VAL HGy% A 6 GLU H 1.0 1.8 3.5 831 732 A 6 GLU H A 6 GLU HBx 1.0 1.8 3.5 832 732 A 6 GLU HBy A 6 GLU H 1.0 1.8 3.5 833 733 A 5 VAL HB A 6 GLU H 1.0 1.8 5.0 834 734 A 6 GLU H A 23 LYS HGx 1.0 1.8 6.0 835 734 A 6 GLU H A 23 LYS HGy 1.0 1.8 6.0 836 735 A 25 LYS H A 6 GLU H 1.0 1.8 5.0 837 736 A 19 GLU H A 11 ARG HGy 1.0 1.8 5.0 838 737 A 12 ARG HGy A 19 GLU H 1.0 1.8 5.0 839 738 A 19 GLU H A 11 ARG HGx 1.0 1.8 5.0 840 739 A 18 VAL HGx% A 19 GLU H 1.0 1.8 3.5 841 740 A 19 GLU HBx A 19 GLU H 1.0 1.8 5.0 842 741 A 19 GLU HBy A 19 GLU H 1.0 1.8 5.0 843 742 A 17 LYS HGy A 19 GLU H 1.0 1.8 5.0 844 743 A 19 GLU H A 18 VAL HA 1.0 1.8 3.5 845 744 A 19 GLU H A 18 VAL H 1.0 1.8 5.0 846 745 A 54 LYS H A 53 GLN HBx 1.0 1.8 5.0 847 746 A 54 LYS H A 53 GLN HBy 1.0 1.8 5.0 848 747 A 54 LYS H A 53 GLN HGx 1.0 1.8 5.0 849 747 A 53 GLN HGy A 54 LYS H 1.0 1.8 5.0 850 748 A 54 LYS H A 51 ASN HA 1.0 1.8 5.0 851 749 A 22 LEU HBx A 22 LEU H 1.0 1.8 5.0 852 750 A 22 LEU H A 22 LEU HDx% 1.0 1.8 5.0 853 751 A 22 LEU H A 22 LEU HDy% 1.0 1.8 5.0 854 752 A 22 LEU HBy A 22 LEU H 1.0 1.8 3.5 855 753 A 22 LEU HG A 22 LEU H 1.0 1.8 5.0 856 754 A 20 TYR HBy A 22 LEU H 1.0 1.8 6.0 857 755 A 21 PHE HA A 22 LEU H 1.0 1.8 3.5 858 756 A 33 THR HA A 22 LEU H 1.0 1.8 6.0 859 757 A 34 TRP HA A 22 LEU H 1.0 1.8 5.0 860 758 A 21 PHE H A 22 LEU H 1.0 1.8 5.0 861 759 A 14 VAL H A 14 VAL HGy% 1.0 1.8 5.0 862 760 A 17 LYS H A 14 VAL H 1.0 1.8 5.0 863 761 A 14 VAL H A 16 GLY H 1.0 1.8 5.0 864 762 A 24 TRP HD1 A 24 TRP H 1.0 1.8 5.0 865 763 A 23 LYS HA A 24 TRP H 1.0 1.8 3.5 866 764 A 24 TRP H A 24 TRP HBy 1.0 1.8 5.0 867 765 A 24 TRP H A 24 TRP HBx 1.0 1.8 5.0 868 766 A 23 LYS HDy A 24 TRP H 1.0 1.8 5.0 869 767 A 23 LYS HDx A 24 TRP H 1.0 1.8 5.0 870 768 A 23 LYS HBy A 24 TRP H 1.0 1.8 5.0 871 769 A 23 LYS HBx A 24 TRP H 1.0 1.8 5.0 872 770 A 24 TRP H A 23 LYS HGx 1.0 1.8 5.0 873 770 A 23 LYS HGy A 24 TRP H 1.0 1.8 5.0 874 771 A 42 CYS H A 5 VAL HGx% 1.0 1.8 6.0 875 772 A 40 LEU HDx% A 42 CYS H 1.0 1.8 6.0 876 773 A 42 CYS H A 46 ILE HD1% 1.0 1.8 5.0 877 774 A 42 CYS H A 40 LEU HBx 1.0 1.8 5.0 878 774 A 40 LEU HBy A 42 CYS H 1.0 1.8 5.0 879 775 A 42 CYS H A 45 LEU HBy 1.0 1.8 6.0 880 776 A 42 CYS H A 41 ASP HBx 1.0 1.8 6.0 881 777 A 42 CYS H A 41 ASP HBy 1.0 1.8 6.0 882 778 A 42 CYS H A 40 LEU HA 1.0 1.8 5.0 883 779 A 42 CYS H A 43 PRO HA 1.0 1.8 6.0 884 780 A 41 ASP HA A 42 CYS H 1.0 1.8 3.5 885 781 A 9 LEU H A 10 ASP H 1.0 1.8 3.5 886 782 A 21 PHE H A 10 ASP H 1.0 1.8 3.5 887 783 A 20 TYR HA A 10 ASP H 1.0 1.8 5.0 888 784 A 20 TYR HD% A 10 ASP H 1.0 1.8 5.0 889 785 A 8 VAL HA A 10 ASP H 1.0 1.8 5.0 890 786 A 22 LEU HA A 10 ASP H 1.0 1.8 6.0 891 787 A 10 ASP HBy A 10 ASP H 1.0 1.8 5.0 892 788 A 20 TYR HBx A 10 ASP H 1.0 1.8 5.0 893 789 A 10 ASP HBx A 10 ASP H 1.0 1.8 5.0 894 790 A 10 ASP H A 21 PHE HBy 1.0 1.8 5.0 895 791 A 9 LEU HBy A 10 ASP H 1.0 1.8 5.0 896 792 A 9 LEU HG A 10 ASP H 1.0 1.8 5.0 897 793 A 9 LEU HDy% A 10 ASP H 1.0 1.8 5.0 898 794 A 10 ASP H A 21 PHE HBx 1.0 1.8 5.0 899 795 A 2 GLU HA A 3 PHE H 1.0 1.8 3.5 900 796 A 3 PHE HD% A 3 PHE H 1.0 1.8 5.0 901 797 A 4 VAL HA A 3 PHE H 1.0 1.8 6.0 902 798 A 3 PHE H A 2 GLU HBx 1.0 1.8 5.0 903 798 A 2 GLU HBy A 3 PHE H 1.0 1.8 5.0 904 799 A 30 ALA H A 30 ALA HB% 1.0 1.8 3.5 905 800 A 30 ALA H A 29 ASP HBy 1.0 1.8 6.0 906 801 A 30 ALA H A 29 ASP HBx 1.0 1.8 6.0 907 802 A 5 VAL HB A 5 VAL H 1.0 1.8 5.0 908 803 A 5 VAL H A 4 VAL HGx% 1.0 1.8 5.0 909 804 A 5 VAL HGy% A 5 VAL H 1.0 1.8 5.0 910 805 A 49 PHE HBy A 49 PHE H 1.0 1.8 3.5 911 806 A 49 PHE HBx A 49 PHE H 1.0 1.8 3.5 912 807 A 50 LEU HBy A 48 ALA H 1.0 1.8 6.0 913 808 A 50 LEU HBy A 49 PHE H 1.0 1.8 6.0 914 809 A 52 SER H A 53 GLN HGx 1.0 1.8 5.0 915 809 A 53 GLN HGy A 52 SER H 1.0 1.8 5.0 916 810 A 52 SER H A 51 ASN HBx 1.0 1.8 3.5 917 810 A 51 ASN HBy A 52 SER H 1.0 1.8 3.5 918 811 A 51 ASN HA A 52 SER H 1.0 1.8 5.0 919 812 A 48 ALA HA A 52 SER H 1.0 1.8 5.0 920 813 A 8 VAL H A 7 LYS H 1.0 1.8 5.0 921 814 A 6 GLU H A 7 LYS H 1.0 1.8 3.5 922 815 A 7 LYS H A 5 VAL HA 1.0 1.8 5.0 923 816 A 7 LYS H A 6 GLU HGy 1.0 1.8 5.0 924 817 A 7 LYS H A 6 GLU HGx 1.0 1.8 5.0 925 818 A 7 LYS H A 7 LYS HBx 1.0 1.8 3.5 926 818 A 7 LYS HBy A 7 LYS H 1.0 1.8 3.5 927 819 A 7 LYS H A 6 GLU HBx 1.0 1.8 3.5 928 819 A 6 GLU HBy A 7 LYS H 1.0 1.8 3.5 929 820 A 7 LYS H A 23 LYS HBx 1.0 1.8 5.0 930 821 A 7 LYS HGy A 7 LYS H 1.0 1.8 5.0 931 822 A 5 VAL HGy% A 7 LYS H 1.0 1.8 3.5 932 823 A 31 ASP H A 30 ALA HB% 1.0 1.8 3.5 933 824 A 31 ASP H A 31 ASP HBy 1.0 1.8 3.5 934 825 A 31 ASP H A 31 ASP HBx 1.0 1.8 3.5 935 826 A 31 ASP H A 30 ALA H 1.0 1.8 3.5 936 827 A 28 THR H A 31 ASP H 1.0 1.8 5.0 937 828 A 51 ASN H A 52 SER H 1.0 1.8 3.5 938 829 A 50 LEU H A 51 ASN H 1.0 1.8 3.5 939 830 A 48 ALA HA A 51 ASN H 1.0 1.8 5.0 940 831 A 47 GLU HA A 51 ASN H 1.0 1.8 5.0 941 832 A 51 ASN H A 51 ASN HBx 1.0 1.8 3.5 942 832 A 51 ASN HBy A 51 ASN H 1.0 1.8 3.5 943 833 A 50 LEU HBy A 51 ASN H 1.0 1.8 3.5 944 834 A 50 LEU HBx A 51 ASN H 1.0 1.8 5.0 945 835 A 51 ASN H A 50 LEU HDx% 1.0 1.8 6.0 946 836 A 51 ASN H A 50 LEU HDy% 1.0 1.8 6.0 947 837 A 48 ALA HB% A 51 ASN H 1.0 1.8 5.0 948 838 A 33 THR HG2% A 24 TRP HE1 1.0 1.8 3.5 949 839 A 22 LEU HBy A 24 TRP HE1 1.0 1.8 5.0 950 840 A 33 THR HB A 24 TRP HE1 1.0 1.8 5.0 951 841 A 24 TRP H A 24 TRP HE1 1.0 1.8 6.0 952 842 A 15 ASN HA A 15 ASN HD2y 1.0 1.8 6.0 953 843 A 51 ASN HA A 51 ASN HD2y 1.0 1.8 6.0 954 844 A 51 ASN HD2y A 51 ASN HBx 1.0 1.8 5.0 955 844 A 51 ASN HBy A 51 ASN HD2y 1.0 1.8 5.0 956 845 A 51 ASN HD2x A 51 ASN HBx 1.0 1.8 5.0 957 845 A 51 ASN HBy A 51 ASN HD2x 1.0 1.8 5.0 958 846 A 51 ASN HA A 51 ASN HD2x 1.0 1.8 6.0 959 847 A 49 PHE HA A 53 GLN HE2x 1.0 1.8 6.0 960 848 A 5 VAL H A 4 VAL HGy% 1.0 1.8 5.0 961 849 B 7 ALA HB% A 40 LEU H 1.0 1.8 5.0 962 850 A 19 GLU HA A 35 GLU H 1.0 1.8 5.0 963 851 B 7 ALA HB% A 41 ASP H 1.0 1.8 3.5 964 852 A 36 PRO HDx A 39 ASN HD2y 1.0 1.8 5.0 965 853 A 39 ASN HD2y B 10 SER HA 1.0 1.8 5.0 966 854 A 45 LEU H A 44 GLU HGx 1.0 1.8 5.0 967 854 A 44 GLU HGy A 45 LEU H 1.0 1.8 5.0 968 855 A 36 PRO HDx A 39 ASN HD2x 1.0 1.8 5.0 969 856 A 37 GLU H A 18 VAL H 1.0 1.8 5.0 970 857 B 10 SER HA A 39 ASN HD2x 1.0 1.8 5.0 971 858 A 2 GLU H A 2 GLU HGy 1.0 1.8 5.0 972 858 A 2 GLU H A 2 GLU HGx 1.0 1.8 5.0 973 859 A 4 VAL H A 3 PHE HBx 1.0 1.8 5.0 974 859 A 4 VAL H A 3 PHE HBy 1.0 1.8 5.0 975 860 A 24 TRP HZ3 A 3 PHE HBx 1.0 1.8 5.0 976 860 A 24 TRP HZ3 A 3 PHE HBy 1.0 1.8 5.0 977 861 A 24 TRP HH2 A 3 PHE HBx 1.0 1.8 5.0 978 861 A 24 TRP HH2 A 3 PHE HBy 1.0 1.8 5.0 979 862 A 4 VAL H A 4 VAL HGx% 1.0 1.8 3.5 980 862 A 4 VAL H A 4 VAL HGy% 1.0 1.8 3.5 981 863 A 4 VAL H A 25 LYS HBx 1.0 1.8 6.0 982 863 A 4 VAL H A 25 LYS HBy 1.0 1.8 6.0 983 864 A 4 VAL HA A 4 VAL HGx% 1.0 1.8 3.5 984 864 A 4 VAL HA A 4 VAL HGy% 1.0 1.8 3.5 985 865 A 4 VAL HB A 25 LYS HBx 1.0 1.8 5.0 986 865 A 4 VAL HB A 25 LYS HBy 1.0 1.8 5.0 987 866 A 4 VAL HGx% A 25 LYS HBx 1.0 1.8 3.5 988 866 A 4 VAL HGy% A 25 LYS HBx 1.0 1.8 3.5 989 866 A 25 LYS HBy A 4 VAL HGx% 1.0 1.8 3.5 990 866 A 4 VAL HGy% A 25 LYS HBy 1.0 1.8 3.5 991 867 A 4 VAL HGx% A 25 LYS HDy 1.0 1.8 5.0 992 867 A 4 VAL HGy% A 25 LYS HDy 1.0 1.8 5.0 993 867 A 25 LYS HDx A 4 VAL HGx% 1.0 1.8 5.0 994 867 A 4 VAL HGy% A 25 LYS HDx 1.0 1.8 5.0 995 868 A 5 VAL HB A 24 TRP HBx 1.0 1.8 6.0 996 868 A 5 VAL HB A 24 TRP HBy 1.0 1.8 6.0 997 869 A 5 VAL HGx% A 22 LEU HDx% 1.0 1.8 3.5 998 869 A 5 VAL HGx% A 22 LEU HDy% 1.0 1.8 3.5 999 870 A 5 VAL HGy% A 22 LEU HDx% 1.0 1.8 3.5 1000 870 A 5 VAL HGy% A 22 LEU HDy% 1.0 1.8 3.5 1001 871 A 5 VAL HGy% A 45 LEU HDx% 1.0 1.8 3.5 1002 871 A 5 VAL HGy% A 45 LEU HDy% 1.0 1.8 3.5 1003 872 A 6 GLU H A 25 LYS HBx 1.0 1.8 5.0 1004 872 A 6 GLU H A 25 LYS HBy 1.0 1.8 5.0 1005 873 A 6 GLU HA A 6 GLU HGy 1.0 1.8 3.5 1006 873 A 6 GLU HA A 6 GLU HGx 1.0 1.8 3.5 1007 874 A 6 GLU HA A 25 LYS HDy 1.0 1.8 6.0 1008 874 A 6 GLU HA A 25 LYS HDx 1.0 1.8 6.0 1009 875 A 6 GLU HA A 45 LEU HDx% 1.0 1.8 5.0 1010 875 A 6 GLU HA A 45 LEU HDy% 1.0 1.8 5.0 1011 876 A 6 GLU HBy A 25 LYS HBx 1.0 1.8 5.0 1012 876 A 6 GLU HBx A 25 LYS HBx 1.0 1.8 5.0 1013 876 A 25 LYS HBy A 6 GLU HBx 1.0 1.8 5.0 1014 876 A 6 GLU HBy A 25 LYS HBy 1.0 1.8 5.0 1015 877 A 7 LYS H A 6 GLU HGy 1.0 1.8 5.0 1016 877 A 7 LYS H A 6 GLU HGx 1.0 1.8 5.0 1017 878 A 6 GLU HGx A 7 LYS HBx 1.0 1.8 5.0 1018 878 A 7 LYS HBy A 6 GLU HGy 1.0 1.8 5.0 1019 878 A 7 LYS HBy A 6 GLU HGx 1.0 1.8 5.0 1020 878 A 6 GLU HGy A 7 LYS HBx 1.0 1.8 5.0 1021 879 A 7 LYS H A 45 LEU HDx% 1.0 1.8 5.0 1022 879 A 7 LYS H A 45 LEU HDy% 1.0 1.8 5.0 1023 880 A 7 LYS HA A 8 VAL HGx% 1.0 1.8 5.0 1024 880 A 7 LYS HA A 8 VAL HGy% 1.0 1.8 5.0 1025 881 A 7 LYS HA A 45 LEU HDx% 1.0 1.8 5.0 1026 881 A 7 LYS HA A 45 LEU HDy% 1.0 1.8 5.0 1027 882 A 8 VAL H A 8 VAL HGx% 1.0 1.8 3.5 1028 882 A 8 VAL H A 8 VAL HGy% 1.0 1.8 3.5 1029 883 A 8 VAL H A 45 LEU HDx% 1.0 1.8 5.0 1030 883 A 8 VAL H A 45 LEU HDy% 1.0 1.8 5.0 1031 884 A 8 VAL HA A 8 VAL HGx% 1.0 1.8 3.5 1032 884 A 8 VAL HA A 8 VAL HGy% 1.0 1.8 3.5 1033 885 A 8 VAL HA A 22 LEU HDx% 1.0 1.8 5.0 1034 885 A 8 VAL HA A 22 LEU HDy% 1.0 1.8 5.0 1035 886 A 9 LEU H A 8 VAL HGx% 1.0 1.8 3.5 1036 886 A 9 LEU H A 8 VAL HGy% 1.0 1.8 3.5 1037 887 A 9 LEU HA A 8 VAL HGx% 1.0 1.8 5.0 1038 887 A 9 LEU HA A 8 VAL HGy% 1.0 1.8 5.0 1039 888 A 10 ASP H A 8 VAL HGx% 1.0 1.8 3.5 1040 888 A 10 ASP H A 8 VAL HGy% 1.0 1.8 3.5 1041 889 A 11 ARG HA A 8 VAL HGx% 1.0 1.8 5.0 1042 889 A 11 ARG HA A 8 VAL HGy% 1.0 1.8 5.0 1043 890 A 20 TYR HA A 8 VAL HGx% 1.0 1.8 5.0 1044 890 A 20 TYR HA A 8 VAL HGy% 1.0 1.8 5.0 1045 891 A 20 TYR HBy A 8 VAL HGx% 1.0 1.8 5.0 1046 891 A 20 TYR HBy A 8 VAL HGy% 1.0 1.8 5.0 1047 892 A 20 TYR HBx A 8 VAL HGx% 1.0 1.8 3.5 1048 892 A 20 TYR HBx A 8 VAL HGy% 1.0 1.8 3.5 1049 893 A 20 TYR HD% A 8 VAL HGx% 1.0 1.8 3.5 1050 893 A 20 TYR HD% A 8 VAL HGy% 1.0 1.8 3.5 1051 894 A 20 TYR HE% A 8 VAL HGx% 1.0 1.8 5.0 1052 894 A 20 TYR HE% A 8 VAL HGy% 1.0 1.8 5.0 1053 895 A 21 PHE H A 8 VAL HGx% 1.0 1.8 5.0 1054 895 A 21 PHE H A 8 VAL HGy% 1.0 1.8 5.0 1055 896 A 22 LEU H A 8 VAL HGx% 1.0 1.8 6.0 1056 896 A 22 LEU H A 8 VAL HGy% 1.0 1.8 6.0 1057 897 A 22 LEU HA A 8 VAL HGx% 1.0 1.8 5.0 1058 897 A 22 LEU HA A 8 VAL HGy% 1.0 1.8 5.0 1059 898 A 45 LEU H A 8 VAL HGx% 1.0 1.8 6.0 1060 898 A 45 LEU H A 8 VAL HGy% 1.0 1.8 6.0 1061 899 A 45 LEU HBy A 8 VAL HGx% 1.0 1.8 5.0 1062 899 A 45 LEU HBy A 8 VAL HGy% 1.0 1.8 5.0 1063 900 A 45 LEU HBx A 8 VAL HGx% 1.0 1.8 3.5 1064 900 A 45 LEU HBx A 8 VAL HGy% 1.0 1.8 3.5 1065 901 A 45 LEU HG A 8 VAL HGx% 1.0 1.8 6.0 1066 901 A 45 LEU HG A 8 VAL HGy% 1.0 1.8 6.0 1067 902 A 8 VAL HGx% A 45 LEU HDx% 1.0 1.8 5.0 1068 902 A 8 VAL HGy% A 45 LEU HDx% 1.0 1.8 5.0 1069 902 A 45 LEU HDy% A 8 VAL HGx% 1.0 1.8 5.0 1070 902 A 45 LEU HDy% A 8 VAL HGy% 1.0 1.8 5.0 1071 903 A 46 ILE H A 8 VAL HGx% 1.0 1.8 5.0 1072 903 A 46 ILE H A 8 VAL HGy% 1.0 1.8 5.0 1073 904 A 46 ILE HA A 8 VAL HGx% 1.0 1.8 3.5 1074 904 A 46 ILE HA A 8 VAL HGy% 1.0 1.8 3.5 1075 905 A 46 ILE HG2% A 8 VAL HGx% 1.0 1.8 5.0 1076 905 A 46 ILE HG2% A 8 VAL HGy% 1.0 1.8 5.0 1077 906 A 47 GLU H A 8 VAL HGx% 1.0 1.8 6.0 1078 906 A 47 GLU H A 8 VAL HGy% 1.0 1.8 6.0 1079 907 A 49 PHE H A 8 VAL HGx% 1.0 1.8 5.0 1080 907 A 49 PHE H A 8 VAL HGy% 1.0 1.8 5.0 1081 908 A 49 PHE HBy A 8 VAL HGx% 1.0 1.8 3.5 1082 908 A 49 PHE HBy A 8 VAL HGy% 1.0 1.8 3.5 1083 909 A 49 PHE HD% A 8 VAL HGx% 1.0 1.8 5.0 1084 909 A 49 PHE HD% A 8 VAL HGy% 1.0 1.8 5.0 1085 910 A 9 LEU H A 21 PHE HBx 1.0 1.8 5.0 1086 910 A 9 LEU H A 21 PHE HBy 1.0 1.8 5.0 1087 911 A 9 LEU H A 22 LEU HDx% 1.0 1.8 5.0 1088 911 A 9 LEU H A 22 LEU HDy% 1.0 1.8 5.0 1089 912 A 9 LEU HBy A 21 PHE HBx 1.0 1.8 5.0 1090 912 A 9 LEU HBy A 21 PHE HBy 1.0 1.8 5.0 1091 913 A 9 LEU HBx A 21 PHE HBx 1.0 1.8 5.0 1092 913 A 9 LEU HBx A 21 PHE HBy 1.0 1.8 5.0 1093 914 A 9 LEU HDx% A 32 ASN HBx 1.0 1.8 5.0 1094 914 A 9 LEU HDx% A 32 ASN HBy 1.0 1.8 5.0 1095 915 A 10 ASP H A 21 PHE HBx 1.0 1.8 3.5 1096 915 A 10 ASP H A 21 PHE HBy 1.0 1.8 3.5 1097 916 A 10 ASP HBy A 21 PHE HBx 1.0 1.8 5.0 1098 916 A 10 ASP HBy A 21 PHE HBy 1.0 1.8 5.0 1099 917 A 11 ARG H A 11 ARG HBx 1.0 1.8 3.5 1100 917 A 11 ARG H A 11 ARG HBy 1.0 1.8 3.5 1101 918 A 11 ARG H A 11 ARG HDx 1.0 1.8 5.0 1102 918 A 11 ARG H A 11 ARG HDy 1.0 1.8 5.0 1103 919 A 11 ARG HA A 11 ARG HGx 1.0 1.8 5.0 1104 919 A 11 ARG HA A 11 ARG HGy 1.0 1.8 5.0 1105 920 A 11 ARG HBx A 11 ARG HDx 1.0 1.8 3.5 1106 920 A 11 ARG HBy A 11 ARG HDx 1.0 1.8 3.5 1107 920 A 11 ARG HDy A 11 ARG HBx 1.0 1.8 3.5 1108 920 A 11 ARG HBy A 11 ARG HDy 1.0 1.8 3.5 1109 921 A 12 ARG H A 11 ARG HBx 1.0 1.8 5.0 1110 921 A 12 ARG H A 11 ARG HBy 1.0 1.8 5.0 1111 922 A 20 TYR HD% A 11 ARG HBx 1.0 1.8 5.0 1112 922 A 20 TYR HD% A 11 ARG HBy 1.0 1.8 5.0 1113 923 A 20 TYR HE% A 11 ARG HBx 1.0 1.8 5.0 1114 923 A 20 TYR HE% A 11 ARG HBy 1.0 1.8 5.0 1115 924 A 34 TRP HZ3 A 11 ARG HBx 1.0 1.8 6.0 1116 924 A 34 TRP HZ3 A 11 ARG HBy 1.0 1.8 6.0 1117 925 A 49 PHE HE% A 11 ARG HBx 1.0 1.8 5.0 1118 925 A 49 PHE HE% A 11 ARG HBy 1.0 1.8 5.0 1119 926 A 12 ARG H A 11 ARG HGx 1.0 1.8 3.5 1120 926 A 12 ARG H A 11 ARG HGy 1.0 1.8 3.5 1121 927 A 19 GLU H A 11 ARG HGx 1.0 1.8 5.0 1122 927 A 19 GLU H A 11 ARG HGy 1.0 1.8 5.0 1123 928 A 20 TYR HE% A 11 ARG HGx 1.0 1.8 5.0 1124 928 A 20 TYR HE% A 11 ARG HGy 1.0 1.8 5.0 1125 929 A 12 ARG H A 11 ARG HDx 1.0 1.8 5.0 1126 929 A 12 ARG H A 11 ARG HDy 1.0 1.8 5.0 1127 930 A 18 VAL HGx% A 11 ARG HDx 1.0 1.8 5.0 1128 930 A 18 VAL HGx% A 11 ARG HDy 1.0 1.8 5.0 1129 931 A 20 TYR HE% A 11 ARG HDx 1.0 1.8 3.5 1130 931 A 20 TYR HE% A 11 ARG HDy 1.0 1.8 3.5 1131 932 A 11 ARG HDx A 50 LEU HDx% 1.0 1.8 5.0 1132 932 A 11 ARG HDy A 50 LEU HDx% 1.0 1.8 5.0 1133 932 A 50 LEU HDy% A 11 ARG HDx 1.0 1.8 5.0 1134 932 A 11 ARG HDy A 50 LEU HDy% 1.0 1.8 5.0 1135 933 A 12 ARG HBy A 14 VAL HGx% 1.0 1.8 5.0 1136 933 A 12 ARG HBy A 14 VAL HGy% 1.0 1.8 5.0 1137 934 A 12 ARG HGy A 14 VAL HGx% 1.0 1.8 5.0 1138 934 A 12 ARG HGy A 14 VAL HGy% 1.0 1.8 5.0 1139 935 A 12 ARG HGx A 14 VAL HGx% 1.0 1.8 5.0 1140 935 A 12 ARG HGx A 14 VAL HGy% 1.0 1.8 5.0 1141 936 A 12 ARG HDy A 14 VAL HGx% 1.0 1.8 5.0 1142 936 A 12 ARG HDx A 14 VAL HGx% 1.0 1.8 5.0 1143 936 A 14 VAL HGy% A 12 ARG HDx 1.0 1.8 5.0 1144 936 A 12 ARG HDy A 14 VAL HGy% 1.0 1.8 5.0 1145 937 A 13 VAL H A 13 VAL HGx% 1.0 1.8 3.5 1146 937 A 13 VAL H A 13 VAL HGy% 1.0 1.8 3.5 1147 938 A 13 VAL H A 14 VAL HGx% 1.0 1.8 5.0 1148 938 A 13 VAL H A 14 VAL HGy% 1.0 1.8 5.0 1149 939 A 13 VAL HA A 13 VAL HGx% 1.0 1.8 3.5 1150 939 A 13 VAL HA A 13 VAL HGy% 1.0 1.8 3.5 1151 940 A 14 VAL H A 13 VAL HGx% 1.0 1.8 3.5 1152 940 A 14 VAL H A 13 VAL HGy% 1.0 1.8 3.5 1153 941 A 14 VAL HA A 13 VAL HGx% 1.0 1.8 5.0 1154 941 A 14 VAL HA A 13 VAL HGy% 1.0 1.8 5.0 1155 942 A 15 ASN HA A 13 VAL HGx% 1.0 1.8 5.0 1156 942 A 15 ASN HA A 13 VAL HGy% 1.0 1.8 5.0 1157 943 A 16 GLY H A 13 VAL HGx% 1.0 1.8 3.5 1158 943 A 16 GLY H A 13 VAL HGy% 1.0 1.8 3.5 1159 944 A 16 GLY HAy A 13 VAL HGx% 1.0 1.8 5.0 1160 944 A 16 GLY HAy A 13 VAL HGy% 1.0 1.8 5.0 1161 945 A 16 GLY HAx A 13 VAL HGx% 1.0 1.8 5.0 1162 945 A 16 GLY HAx A 13 VAL HGy% 1.0 1.8 5.0 1163 946 A 17 LYS H A 13 VAL HGx% 1.0 1.8 3.5 1164 946 A 17 LYS H A 13 VAL HGy% 1.0 1.8 3.5 1165 947 A 17 LYS HA A 13 VAL HGx% 1.0 1.8 5.0 1166 947 A 17 LYS HA A 13 VAL HGy% 1.0 1.8 5.0 1167 948 A 18 VAL H A 13 VAL HGx% 1.0 1.8 6.0 1168 948 A 18 VAL H A 13 VAL HGy% 1.0 1.8 6.0 1169 949 A 18 VAL HA A 13 VAL HGx% 1.0 1.8 5.0 1170 949 A 18 VAL HA A 13 VAL HGy% 1.0 1.8 5.0 1171 950 A 19 GLU H A 13 VAL HGx% 1.0 1.8 5.0 1172 950 A 19 GLU H A 13 VAL HGy% 1.0 1.8 5.0 1173 951 A 14 VAL H A 14 VAL HGx% 1.0 1.8 3.5 1174 951 A 14 VAL H A 14 VAL HGy% 1.0 1.8 3.5 1175 952 A 14 VAL H A 19 GLU HGy 1.0 1.8 5.0 1176 952 A 14 VAL H A 19 GLU HGx 1.0 1.8 5.0 1177 953 A 14 VAL HA A 15 ASN HBx 1.0 1.8 5.0 1178 953 A 14 VAL HA A 15 ASN HBy 1.0 1.8 5.0 1179 954 A 15 ASN HA A 14 VAL HGx% 1.0 1.8 6.0 1180 954 A 15 ASN HA A 14 VAL HGy% 1.0 1.8 6.0 1181 955 A 14 VAL HGx% A 15 ASN HBx 1.0 1.8 5.0 1182 955 A 15 ASN HBy A 14 VAL HGx% 1.0 1.8 5.0 1183 955 A 14 VAL HGy% A 15 ASN HBy 1.0 1.8 5.0 1184 955 A 14 VAL HGy% A 15 ASN HBx 1.0 1.8 5.0 1185 956 A 15 ASN HD2x A 14 VAL HGx% 1.0 1.8 5.0 1186 956 A 14 VAL HGy% A 15 ASN HD2x 1.0 1.8 5.0 1187 957 A 15 ASN HD2y A 14 VAL HGx% 1.0 1.8 6.0 1188 957 A 15 ASN HD2y A 14 VAL HGy% 1.0 1.8 6.0 1189 958 A 19 GLU HBy A 14 VAL HGx% 1.0 1.8 5.0 1190 958 A 19 GLU HBy A 14 VAL HGy% 1.0 1.8 5.0 1191 959 A 14 VAL HGx% A 19 GLU HGy 1.0 1.8 6.0 1192 959 A 14 VAL HGy% A 19 GLU HGy 1.0 1.8 6.0 1193 959 A 19 GLU HGx A 14 VAL HGx% 1.0 1.8 6.0 1194 959 A 14 VAL HGy% A 19 GLU HGx 1.0 1.8 6.0 1195 960 A 17 LYS HGy A 19 GLU HGy 1.0 1.8 5.0 1196 960 A 17 LYS HGy A 19 GLU HGx 1.0 1.8 5.0 1197 961 A 17 LYS HGx A 19 GLU HGy 1.0 1.8 5.0 1198 961 A 17 LYS HGx A 19 GLU HGx 1.0 1.8 5.0 1199 962 A 17 LYS HDx A 19 GLU HGy 1.0 1.8 5.0 1200 962 A 19 GLU HGx A 17 LYS HDx 1.0 1.8 5.0 1201 962 A 17 LYS HDy A 19 GLU HGx 1.0 1.8 5.0 1202 962 A 17 LYS HDy A 19 GLU HGy 1.0 1.8 5.0 1203 963 A 17 LYS HDy A 36 PRO HBx 1.0 1.8 5.0 1204 963 A 17 LYS HDx A 36 PRO HBx 1.0 1.8 5.0 1205 963 A 36 PRO HBy A 17 LYS HDx 1.0 1.8 5.0 1206 963 A 17 LYS HDy A 36 PRO HBy 1.0 1.8 5.0 1207 964 A 18 VAL HA A 19 GLU HGy 1.0 1.8 6.0 1208 964 A 18 VAL HA A 19 GLU HGx 1.0 1.8 6.0 1209 965 A 18 VAL HB A 37 GLU HGy 1.0 1.8 5.0 1210 965 A 18 VAL HB A 37 GLU HGx 1.0 1.8 5.0 1211 966 A 18 VAL HGx% A 37 GLU HGy 1.0 1.8 5.0 1212 966 A 18 VAL HGx% A 37 GLU HGx 1.0 1.8 5.0 1213 967 A 19 GLU H A 19 GLU HGy 1.0 1.8 5.0 1214 967 A 19 GLU H A 19 GLU HGx 1.0 1.8 5.0 1215 968 A 19 GLU HA A 19 GLU HGy 1.0 1.8 3.5 1216 968 A 19 GLU HA A 19 GLU HGx 1.0 1.8 3.5 1217 969 A 20 TYR H A 19 GLU HGy 1.0 1.8 5.0 1218 969 A 20 TYR H A 19 GLU HGx 1.0 1.8 5.0 1219 970 A 36 PRO HA A 19 GLU HGy 1.0 1.8 5.0 1220 970 A 36 PRO HA A 19 GLU HGx 1.0 1.8 5.0 1221 971 A 37 GLU H A 19 GLU HGy 1.0 1.8 5.0 1222 971 A 37 GLU H A 19 GLU HGx 1.0 1.8 5.0 1223 972 A 20 TYR HA A 21 PHE HBx 1.0 1.8 5.0 1224 972 A 20 TYR HA A 21 PHE HBy 1.0 1.8 5.0 1225 973 A 20 TYR HBy A 22 LEU HDx% 1.0 1.8 5.0 1226 973 A 20 TYR HBy A 22 LEU HDy% 1.0 1.8 5.0 1227 974 A 20 TYR HBx A 22 LEU HDx% 1.0 1.8 5.0 1228 974 A 20 TYR HBx A 22 LEU HDy% 1.0 1.8 5.0 1229 975 A 20 TYR HE% A 37 GLU HGy 1.0 1.8 5.0 1230 975 A 20 TYR HE% A 37 GLU HGx 1.0 1.8 5.0 1231 976 A 20 TYR HE% A 50 LEU HDx% 1.0 1.8 5.0 1232 976 A 20 TYR HE% A 50 LEU HDy% 1.0 1.8 5.0 1233 977 A 21 PHE HA A 22 LEU HDx% 1.0 1.8 5.0 1234 977 A 21 PHE HA A 22 LEU HDy% 1.0 1.8 5.0 1235 978 A 21 PHE HA A 35 GLU HGy 1.0 1.8 6.0 1236 978 A 21 PHE HA A 35 GLU HGx 1.0 1.8 6.0 1237 979 A 34 TRP HA A 21 PHE HBx 1.0 1.8 5.0 1238 979 A 34 TRP HA A 21 PHE HBy 1.0 1.8 5.0 1239 980 A 34 TRP HH2 A 21 PHE HBx 1.0 1.8 5.0 1240 980 A 34 TRP HH2 A 21 PHE HBy 1.0 1.8 5.0 1241 981 A 21 PHE HD% A 32 ASN HBx 1.0 1.8 5.0 1242 981 A 32 ASN HBy A 21 PHE HD% 1.0 1.8 5.0 1243 982 A 22 LEU H A 22 LEU HDx% 1.0 1.8 5.0 1244 982 A 22 LEU H A 22 LEU HDy% 1.0 1.8 5.0 1245 983 A 22 LEU H A 35 GLU HGy 1.0 1.8 6.0 1246 983 A 22 LEU H A 35 GLU HGx 1.0 1.8 6.0 1247 984 A 22 LEU HA A 22 LEU HDx% 1.0 1.8 3.5 1248 984 A 22 LEU HA A 22 LEU HDy% 1.0 1.8 3.5 1249 985 A 22 LEU HBx A 22 LEU HDx% 1.0 1.8 3.5 1250 985 A 22 LEU HBx A 22 LEU HDy% 1.0 1.8 3.5 1251 986 A 23 LYS H A 22 LEU HDx% 1.0 1.8 5.0 1252 986 A 23 LYS H A 22 LEU HDy% 1.0 1.8 5.0 1253 987 A 24 TRP HE3 A 22 LEU HDx% 1.0 1.8 5.0 1254 987 A 22 LEU HDy% A 24 TRP HE3 1.0 1.8 5.0 1255 988 A 24 TRP HZ2 A 22 LEU HDx% 1.0 1.8 5.0 1256 988 A 24 TRP HZ2 A 22 LEU HDy% 1.0 1.8 5.0 1257 989 A 33 THR H A 22 LEU HDx% 1.0 1.8 6.0 1258 989 A 33 THR H A 22 LEU HDy% 1.0 1.8 6.0 1259 990 A 34 TRP HA A 22 LEU HDx% 1.0 1.8 6.0 1260 990 A 34 TRP HA A 22 LEU HDy% 1.0 1.8 6.0 1261 991 A 35 GLU H A 22 LEU HDx% 1.0 1.8 5.0 1262 991 A 35 GLU H A 22 LEU HDy% 1.0 1.8 5.0 1263 992 A 35 GLU HBy A 22 LEU HDx% 1.0 1.8 5.0 1264 992 A 35 GLU HBy A 22 LEU HDy% 1.0 1.8 5.0 1265 993 A 35 GLU HBx A 22 LEU HDx% 1.0 1.8 5.0 1266 993 A 35 GLU HBx A 22 LEU HDy% 1.0 1.8 5.0 1267 994 A 22 LEU HDy% A 35 GLU HGy 1.0 1.8 3.5 1268 994 A 22 LEU HDx% A 35 GLU HGy 1.0 1.8 3.5 1269 994 A 35 GLU HGx A 22 LEU HDx% 1.0 1.8 3.5 1270 994 A 22 LEU HDy% A 35 GLU HGx 1.0 1.8 3.5 1271 995 A 40 LEU HG A 22 LEU HDx% 1.0 1.8 5.0 1272 995 A 40 LEU HG A 22 LEU HDy% 1.0 1.8 5.0 1273 996 A 40 LEU HDx% A 22 LEU HDx% 1.0 1.8 3.5 1274 996 A 40 LEU HDx% A 22 LEU HDy% 1.0 1.8 3.5 1275 997 A 40 LEU HDy% A 22 LEU HDx% 1.0 1.8 5.0 1276 997 A 40 LEU HDy% A 22 LEU HDy% 1.0 1.8 5.0 1277 998 B 7 ALA HB% A 22 LEU HDx% 1.0 1.8 3.5 1278 998 B 7 ALA HB% A 22 LEU HDy% 1.0 1.8 3.5 1279 999 A 23 LYS HA A 32 ASN HBx 1.0 1.8 5.0 1280 999 A 23 LYS HA A 32 ASN HBy 1.0 1.8 5.0 1281 1000 A 23 LYS HA A 32 ASN HD2y 1.0 1.8 5.0 1282 1000 A 23 LYS HA A 32 ASN HD2x 1.0 1.8 5.0 1283 1001 A 23 LYS HBx A 23 LYS HEy 1.0 1.8 5.0 1284 1001 A 23 LYS HBx A 23 LYS HEx 1.0 1.8 5.0 1285 1002 A 23 LYS HEx A 23 LYS HGx 1.0 1.8 3.5 1286 1002 A 23 LYS HEy A 23 LYS HGx 1.0 1.8 3.5 1287 1002 A 23 LYS HGy A 23 LYS HEy 1.0 1.8 3.5 1288 1002 A 23 LYS HGy A 23 LYS HEx 1.0 1.8 3.5 1289 1003 A 23 LYS HGx A 32 ASN HD2y 1.0 1.8 5.0 1290 1003 A 23 LYS HGy A 32 ASN HD2y 1.0 1.8 5.0 1291 1003 A 32 ASN HD2x A 23 LYS HGx 1.0 1.8 5.0 1292 1003 A 23 LYS HGy A 32 ASN HD2x 1.0 1.8 5.0 1293 1004 A 24 TRP H A 27 PHE HBx 1.0 1.8 5.0 1294 1004 A 24 TRP H A 27 PHE HBy 1.0 1.8 5.0 1295 1005 A 24 TRP HBx A 27 PHE HBx 1.0 1.8 3.5 1296 1005 A 24 TRP HBy A 27 PHE HBx 1.0 1.8 3.5 1297 1005 A 27 PHE HBy A 24 TRP HBx 1.0 1.8 3.5 1298 1005 A 24 TRP HBy A 27 PHE HBy 1.0 1.8 3.5 1299 1006 A 24 TRP HD1 A 31 ASP HBx 1.0 1.8 5.0 1300 1006 A 24 TRP HD1 A 31 ASP HBy 1.0 1.8 5.0 1301 1007 A 24 TRP HZ2 A 35 GLU HGy 1.0 1.8 5.0 1302 1007 A 24 TRP HZ2 A 35 GLU HGx 1.0 1.8 5.0 1303 1008 A 25 LYS HA A 25 LYS HDy 1.0 1.8 5.0 1304 1008 A 25 LYS HA A 25 LYS HDx 1.0 1.8 5.0 1305 1009 A 25 LYS HBy A 25 LYS HDy 1.0 1.8 3.5 1306 1009 A 25 LYS HBx A 25 LYS HDy 1.0 1.8 3.5 1307 1009 A 25 LYS HDx A 25 LYS HBx 1.0 1.8 3.5 1308 1009 A 25 LYS HBy A 25 LYS HDx 1.0 1.8 3.5 1309 1010 A 27 PHE H A 26 GLY HAy 1.0 1.8 3.5 1310 1010 A 27 PHE H A 26 GLY HAx 1.0 1.8 3.5 1311 1011 A 27 PHE H A 27 PHE HBx 1.0 1.8 3.5 1312 1011 A 27 PHE H A 27 PHE HBy 1.0 1.8 3.5 1313 1012 A 28 THR H A 27 PHE HBx 1.0 1.8 3.5 1314 1012 A 28 THR H A 27 PHE HBy 1.0 1.8 3.5 1315 1013 A 31 ASP H A 27 PHE HBx 1.0 1.8 5.0 1316 1013 A 31 ASP H A 27 PHE HBy 1.0 1.8 5.0 1317 1014 A 27 PHE HBy A 31 ASP HBx 1.0 1.8 3.5 1318 1014 A 27 PHE HBx A 31 ASP HBx 1.0 1.8 3.5 1319 1014 A 31 ASP HBy A 27 PHE HBx 1.0 1.8 3.5 1320 1014 A 27 PHE HBy A 31 ASP HBy 1.0 1.8 3.5 1321 1015 A 27 PHE HD% A 31 ASP HBx 1.0 1.8 5.0 1322 1015 A 27 PHE HD% A 31 ASP HBy 1.0 1.8 5.0 1323 1016 A 28 THR H A 31 ASP HBx 1.0 1.8 5.0 1324 1016 A 28 THR H A 31 ASP HBy 1.0 1.8 5.0 1325 1017 A 30 ALA HA A 32 ASN HBx 1.0 1.8 6.0 1326 1017 A 30 ALA HA A 32 ASN HBy 1.0 1.8 6.0 1327 1018 A 31 ASP H A 31 ASP HBx 1.0 1.8 3.5 1328 1018 A 31 ASP H A 31 ASP HBy 1.0 1.8 3.5 1329 1019 A 32 ASN H A 31 ASP HBx 1.0 1.8 5.0 1330 1019 A 32 ASN H A 31 ASP HBy 1.0 1.8 5.0 1331 1020 A 31 ASP HBy A 32 ASN HBx 1.0 1.8 6.0 1332 1020 A 32 ASN HBy A 31 ASP HBx 1.0 1.8 6.0 1333 1020 A 32 ASN HBy A 31 ASP HBy 1.0 1.8 6.0 1334 1020 A 31 ASP HBx A 32 ASN HBx 1.0 1.8 6.0 1335 1021 A 32 ASN H A 32 ASN HBx 1.0 1.8 3.5 1336 1021 A 32 ASN H A 32 ASN HBy 1.0 1.8 3.5 1337 1022 A 32 ASN HA A 32 ASN HD2y 1.0 1.8 5.0 1338 1022 A 32 ASN HA A 32 ASN HD2x 1.0 1.8 5.0 1339 1023 A 33 THR H A 32 ASN HBx 1.0 1.8 5.0 1340 1023 A 33 THR H A 32 ASN HBy 1.0 1.8 5.0 1341 1024 A 35 GLU H A 35 GLU HGy 1.0 1.8 5.0 1342 1024 A 35 GLU H A 35 GLU HGx 1.0 1.8 5.0 1343 1025 A 35 GLU HBy A 39 ASN HBy 1.0 1.8 6.0 1344 1025 A 35 GLU HBy A 39 ASN HBx 1.0 1.8 6.0 1345 1026 A 35 GLU HBy A 39 ASN HD2x 1.0 1.8 6.0 1346 1026 A 35 GLU HBy A 39 ASN HD2y 1.0 1.8 6.0 1347 1027 A 35 GLU HBx A 39 ASN HD2x 1.0 1.8 5.0 1348 1027 A 35 GLU HBx A 39 ASN HD2y 1.0 1.8 5.0 1349 1028 A 36 PRO HDx A 35 GLU HGy 1.0 1.8 5.0 1350 1028 A 36 PRO HDx A 35 GLU HGx 1.0 1.8 5.0 1351 1029 A 40 LEU HDy% A 35 GLU HGy 1.0 1.8 5.0 1352 1029 A 40 LEU HDy% A 35 GLU HGx 1.0 1.8 5.0 1353 1030 B 7 ALA HB% A 35 GLU HGy 1.0 1.8 6.0 1354 1030 B 7 ALA HB% A 35 GLU HGx 1.0 1.8 6.0 1355 1031 A 37 GLU H A 36 PRO HBx 1.0 1.8 5.0 1356 1031 A 37 GLU H A 36 PRO HBy 1.0 1.8 5.0 1357 1032 A 36 PRO HBy A 38 GLU HGx 1.0 1.8 3.5 1358 1032 A 36 PRO HBx A 38 GLU HGx 1.0 1.8 3.5 1359 1032 A 38 GLU HGy A 36 PRO HBx 1.0 1.8 3.5 1360 1032 A 38 GLU HGy A 36 PRO HBy 1.0 1.8 3.5 1361 1033 A 39 ASN H A 36 PRO HBx 1.0 1.8 5.0 1362 1033 A 39 ASN H A 36 PRO HBy 1.0 1.8 5.0 1363 1034 A 36 PRO HGx A 39 ASN HBy 1.0 1.8 5.0 1364 1034 A 36 PRO HGx A 39 ASN HBx 1.0 1.8 5.0 1365 1035 A 36 PRO HGx A 39 ASN HD2x 1.0 1.8 5.0 1366 1035 A 36 PRO HGx A 39 ASN HD2y 1.0 1.8 5.0 1367 1036 A 36 PRO HDx A 39 ASN HD2x 1.0 1.8 5.0 1368 1036 A 36 PRO HDx A 39 ASN HD2y 1.0 1.8 5.0 1369 1037 A 36 PRO HDy A 39 ASN HBy 1.0 1.8 5.0 1370 1037 A 36 PRO HDy A 39 ASN HBx 1.0 1.8 5.0 1371 1038 A 36 PRO HDy A 39 ASN HD2x 1.0 1.8 5.0 1372 1038 A 36 PRO HDy A 39 ASN HD2y 1.0 1.8 5.0 1373 1039 A 37 GLU H A 37 GLU HGy 1.0 1.8 3.5 1374 1039 A 37 GLU H A 37 GLU HGx 1.0 1.8 3.5 1375 1040 A 37 GLU HA A 37 GLU HGy 1.0 1.8 5.0 1376 1040 A 37 GLU HA A 37 GLU HGx 1.0 1.8 5.0 1377 1041 A 38 GLU H A 37 GLU HGy 1.0 1.8 3.5 1378 1041 A 38 GLU H A 37 GLU HGx 1.0 1.8 3.5 1379 1042 A 38 GLU HA A 37 GLU HGy 1.0 1.8 5.0 1380 1042 A 38 GLU HA A 37 GLU HGx 1.0 1.8 5.0 1381 1043 A 39 ASN H A 39 ASN HBy 1.0 1.8 3.5 1382 1043 A 39 ASN H A 39 ASN HBx 1.0 1.8 3.5 1383 1044 A 39 ASN HD2x A 39 ASN HA 1.0 1.8 5.0 1384 1044 A 39 ASN HD2y A 39 ASN HA 1.0 1.8 5.0 1385 1045 A 40 LEU H A 39 ASN HBy 1.0 1.8 5.0 1386 1045 A 40 LEU H A 39 ASN HBx 1.0 1.8 5.0 1387 1046 A 40 LEU HA A 39 ASN HBy 1.0 1.8 5.0 1388 1046 A 40 LEU HA A 39 ASN HBx 1.0 1.8 5.0 1389 1047 A 40 LEU HDy% A 39 ASN HBy 1.0 1.8 5.0 1390 1047 A 40 LEU HDy% A 39 ASN HBx 1.0 1.8 5.0 1391 1048 A 39 ASN HD2x B 8 ARG HBx 1.0 1.8 3.5 1392 1048 A 39 ASN HD2x B 8 ARG HBy 1.0 1.8 3.5 1393 1048 A 39 ASN HD2y B 8 ARG HBx 1.0 1.8 3.5 1394 1048 A 39 ASN HD2y B 8 ARG HBy 1.0 1.8 3.5 1395 1049 A 39 ASN HD2x B 10 SER HBy 1.0 1.8 5.0 1396 1049 A 39 ASN HD2x B 10 SER HBx 1.0 1.8 5.0 1397 1049 A 39 ASN HD2y B 10 SER HBx 1.0 1.8 5.0 1398 1049 A 39 ASN HD2y B 10 SER HBy 1.0 1.8 5.0 1399 1050 A 42 CYS H A 41 ASP HBx 1.0 1.8 5.0 1400 1050 A 42 CYS H A 41 ASP HBy 1.0 1.8 5.0 1401 1051 A 45 LEU H A 42 CYS HBy 1.0 1.8 5.0 1402 1051 A 45 LEU H A 42 CYS HBx 1.0 1.8 5.0 1403 1052 A 45 LEU HBy A 42 CYS HBy 1.0 1.8 5.0 1404 1052 A 45 LEU HBy A 42 CYS HBx 1.0 1.8 5.0 1405 1053 A 45 LEU HBx A 42 CYS HBy 1.0 1.8 5.0 1406 1053 A 45 LEU HBx A 42 CYS HBx 1.0 1.8 5.0 1407 1054 A 45 LEU HG A 42 CYS HBy 1.0 1.8 5.0 1408 1054 A 45 LEU HG A 42 CYS HBx 1.0 1.8 5.0 1409 1055 A 42 CYS HBy A 45 LEU HDx% 1.0 1.8 3.5 1410 1055 A 42 CYS HBx A 45 LEU HDx% 1.0 1.8 3.5 1411 1055 A 45 LEU HDy% A 42 CYS HBy 1.0 1.8 3.5 1412 1055 A 45 LEU HDy% A 42 CYS HBx 1.0 1.8 3.5 1413 1056 A 46 ILE H A 42 CYS HBy 1.0 1.8 6.0 1414 1056 A 46 ILE H A 42 CYS HBx 1.0 1.8 6.0 1415 1057 A 42 CYS HBy B 5 GLN HBx 1.0 1.8 5.0 1416 1057 B 5 GLN HBy A 42 CYS HBy 1.0 1.8 5.0 1417 1057 A 42 CYS HBx B 5 GLN HBy 1.0 1.8 5.0 1418 1057 A 42 CYS HBx B 5 GLN HBx 1.0 1.8 5.0 1419 1058 A 44 GLU H A 43 PRO HGx 1.0 1.8 5.0 1420 1058 A 44 GLU H A 43 PRO HGy 1.0 1.8 5.0 1421 1059 A 44 GLU H A 45 LEU HDx% 1.0 1.8 6.0 1422 1059 A 44 GLU H A 45 LEU HDy% 1.0 1.8 6.0 1423 1060 A 44 GLU HGx A 45 LEU HDx% 1.0 1.8 5.0 1424 1060 A 44 GLU HGy A 45 LEU HDx% 1.0 1.8 5.0 1425 1060 A 45 LEU HDy% A 44 GLU HGx 1.0 1.8 5.0 1426 1060 A 44 GLU HGy A 45 LEU HDy% 1.0 1.8 5.0 1427 1061 A 45 LEU H A 45 LEU HDx% 1.0 1.8 5.0 1428 1061 A 45 LEU H A 45 LEU HDy% 1.0 1.8 5.0 1429 1062 A 45 LEU HA A 45 LEU HDx% 1.0 1.8 3.5 1430 1062 A 45 LEU HA A 45 LEU HDy% 1.0 1.8 3.5 1431 1063 A 45 LEU HBy B 5 GLN HGy 1.0 1.8 6.0 1432 1063 A 45 LEU HBy B 5 GLN HGx 1.0 1.8 6.0 1433 1064 A 45 LEU HG B 5 GLN HBx 1.0 1.8 6.0 1434 1064 A 45 LEU HG B 5 GLN HBy 1.0 1.8 6.0 1435 1065 A 45 LEU HG B 5 GLN HGy 1.0 1.8 6.0 1436 1065 A 45 LEU HG B 5 GLN HGx 1.0 1.8 6.0 1437 1066 A 48 ALA HB% A 45 LEU HDx% 1.0 1.8 5.0 1438 1066 A 48 ALA HB% A 45 LEU HDy% 1.0 1.8 5.0 1439 1067 A 45 LEU HDy% B 5 GLN HBx 1.0 1.8 5.0 1440 1067 A 45 LEU HDx% B 5 GLN HBx 1.0 1.8 5.0 1441 1067 B 5 GLN HBy A 45 LEU HDx% 1.0 1.8 5.0 1442 1067 A 45 LEU HDy% B 5 GLN HBy 1.0 1.8 5.0 1443 1068 A 47 GLU HA A 47 GLU HGy 1.0 1.8 3.5 1444 1068 A 47 GLU HA A 47 GLU HGx 1.0 1.8 3.5 1445 1069 A 47 GLU HA A 50 LEU HDx% 1.0 1.8 5.0 1446 1069 A 47 GLU HA A 50 LEU HDy% 1.0 1.8 5.0 1447 1070 A 47 GLU HBy A 51 ASN HD2x 1.0 1.8 6.0 1448 1070 A 47 GLU HBy A 51 ASN HD2y 1.0 1.8 6.0 1449 1071 A 47 GLU HBx A 47 GLU HGy 1.0 1.8 2.7 1450 1071 A 47 GLU HBx A 47 GLU HGx 1.0 1.8 2.7 1451 1072 A 47 GLU HBx A 51 ASN HD2x 1.0 1.8 6.0 1452 1072 A 47 GLU HBx A 51 ASN HD2y 1.0 1.8 6.0 1453 1073 A 48 ALA H A 47 GLU HGy 1.0 1.8 5.0 1454 1073 A 48 ALA H A 47 GLU HGx 1.0 1.8 5.0 1455 1074 A 48 ALA HA A 47 GLU HGy 1.0 1.8 5.0 1456 1074 A 48 ALA HA A 47 GLU HGx 1.0 1.8 5.0 1457 1075 A 50 LEU H A 47 GLU HGy 1.0 1.8 6.0 1458 1075 A 50 LEU H A 47 GLU HGx 1.0 1.8 6.0 1459 1076 A 47 GLU HGy A 50 LEU HDx% 1.0 1.8 6.0 1460 1076 A 47 GLU HGx A 50 LEU HDx% 1.0 1.8 6.0 1461 1076 A 50 LEU HDy% A 47 GLU HGy 1.0 1.8 6.0 1462 1076 A 50 LEU HDy% A 47 GLU HGx 1.0 1.8 6.0 1463 1077 A 51 ASN HD2x A 47 GLU HGy 1.0 1.8 5.0 1464 1077 A 51 ASN HD2y A 47 GLU HGy 1.0 1.8 5.0 1465 1077 A 51 ASN HD2y A 47 GLU HGx 1.0 1.8 5.0 1466 1077 A 51 ASN HD2x A 47 GLU HGx 1.0 1.8 5.0 1467 1078 A 48 ALA HA A 51 ASN HD2x 1.0 1.8 5.0 1468 1078 A 48 ALA HA A 51 ASN HD2y 1.0 1.8 5.0 1469 1079 A 49 PHE HBx A 50 LEU HDx% 1.0 1.8 5.0 1470 1079 A 49 PHE HBx A 50 LEU HDy% 1.0 1.8 5.0 1471 1080 A 49 PHE HE% A 50 LEU HDx% 1.0 1.8 5.0 1472 1080 A 49 PHE HE% A 50 LEU HDy% 1.0 1.8 5.0 1473 1081 A 49 PHE HZ A 50 LEU HDx% 1.0 1.8 5.0 1474 1081 A 49 PHE HZ A 50 LEU HDy% 1.0 1.8 5.0 1475 1082 A 50 LEU HA A 50 LEU HDx% 1.0 1.8 3.5 1476 1082 A 50 LEU HA A 50 LEU HDy% 1.0 1.8 3.5 1477 1083 A 50 LEU HBy A 50 LEU HDx% 1.0 1.8 3.5 1478 1083 A 50 LEU HBy A 50 LEU HDy% 1.0 1.8 3.5 1479 1084 A 51 ASN H A 50 LEU HDx% 1.0 1.8 5.0 1480 1084 A 51 ASN H A 50 LEU HDy% 1.0 1.8 5.0 1481 1085 A 53 GLN HE2x A 50 LEU HDx% 1.0 1.8 5.0 1482 1085 A 53 GLN HE2x A 50 LEU HDy% 1.0 1.8 5.0 1483 1086 A 51 ASN HA A 51 ASN HD2x 1.0 1.8 5.0 1484 1086 A 51 ASN HA A 51 ASN HD2y 1.0 1.8 5.0 1485 1087 A 51 ASN HD2x A 51 ASN HBx 1.0 1.8 3.5 1486 1087 A 51 ASN HBy A 51 ASN HD2x 1.0 1.8 3.5 1487 1087 A 51 ASN HD2y A 51 ASN HBx 1.0 1.8 3.5 1488 1087 A 51 ASN HBy A 51 ASN HD2y 1.0 1.8 3.5 1489 1088 A 52 SER H A 52 SER HBy 1.0 1.8 3.5 1490 1088 A 52 SER H A 52 SER HBx 1.0 1.8 3.5 1491 1089 A 53 GLN H A 52 SER HBy 1.0 1.8 5.0 1492 1089 A 53 GLN H A 52 SER HBx 1.0 1.8 5.0 1493 1090 A 53 GLN H A 53 GLN HBx 1.0 1.8 3.5 1494 1090 A 53 GLN H A 53 GLN HBy 1.0 1.8 3.5 1495 1091 A 53 GLN HE2x A 53 GLN HBx 1.0 1.8 5.0 1496 1091 A 53 GLN HE2x A 53 GLN HBy 1.0 1.8 5.0 1497 1092 A 54 LYS H A 53 GLN HBx 1.0 1.8 5.0 1498 1092 A 54 LYS H A 53 GLN HBy 1.0 1.8 5.0 1499 1093 A 54 LYS H A 54 LYS HBy 1.0 1.8 3.5 1500 1093 A 54 LYS H A 54 LYS HBx 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 35 GLU H A 20 TYR O 1.0 1.8 2.3 2 2 A 20 TYR O A 35 GLU N 1.0 2.7 3.3 3 3 A 20 TYR H A 35 GLU O 1.0 1.8 2.3 4 4 A 35 GLU O A 20 TYR N 1.0 2.7 3.3 5 5 A 22 LEU H A 33 THR O 1.0 1.8 2.3 6 6 A 33 THR O A 22 LEU N 1.0 2.7 3.3 7 7 A 41 ASP H B 6 THR O 1.0 1.8 2.3 8 8 B 6 THR O A 41 ASP N 1.0 2.7 3.3 9 9 A 3 PHE H B 7 ALA O 1.0 1.8 2.3 10 10 B 7 ALA O A 3 PHE N 1.0 2.7 3.3 11 11 A 3 PHE O B 7 ALA H 1.0 1.8 2.3 12 12 A 3 PHE O B 7 ALA N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 GLU C A 3 PHE N A 3 PHE CA A 3 PHE C 1.0 -158.9 -69.5 PHI 2 2 A 3 PHE N A 3 PHE CA A 3 PHE C A 4 VAL N 1.0 118.7 173.6 PSI 3 3 A 3 PHE C A 4 VAL N A 4 VAL CA A 4 VAL C 1.0 -119.2 -53.1 PHI 4 4 A 4 VAL N A 4 VAL CA A 4 VAL C A 5 VAL N 1.0 109.6 148.7 PSI 5 5 A 6 GLU C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -187.5 -90.2 PHI 6 6 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 VAL N 1.0 108.9 168.2 PSI 7 7 A 7 LYS C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -146.0 -52.0 PHI 8 8 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 LEU N 1.0 105.9 158.3 PSI 9 9 A 8 VAL C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -131.7 -70.8 PHI 10 10 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 ASP N 1.0 -54.4 0.2 PSI 11 11 A 9 LEU C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -164.8 -129.1 PHI 12 12 A 10 ASP N A 10 ASP CA A 10 ASP C A 11 ARG N 1.0 128.2 162.1 PSI 13 13 A 11 ARG C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -184.3 -77.0 PHI 14 14 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 VAL N 1.0 110.0 175.3 PSI 15 15 A 12 ARG C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -129.8 -86.3 PHI 16 16 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 VAL N 1.0 109.9 138.8 PSI 17 17 A 13 VAL C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -138.9 -78.6 PHI 18 18 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 ASN N 1.0 100.5 165.8 PSI 19 19 A 16 GLY C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -153.0 -78.8 PHI 20 20 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 VAL N 1.0 91.4 176.8 PSI 21 21 A 17 LYS C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -124.0 -83.1 PHI 22 22 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 GLU N 1.0 107.8 147.0 PSI 23 23 A 18 VAL C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -158.9 -106.2 PHI 24 24 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 TYR N 1.0 133.8 182.5 PSI 25 25 A 19 GLU C A 20 TYR N A 20 TYR CA A 20 TYR C 1.0 -158.1 -101.9 PHI 26 26 A 20 TYR N A 20 TYR CA A 20 TYR C A 21 PHE N 1.0 114.9 154.0 PSI 27 27 A 20 TYR C A 21 PHE N A 21 PHE CA A 21 PHE C 1.0 -131.7 -79.9 PHI 28 28 A 21 PHE N A 21 PHE CA A 21 PHE C A 22 LEU N 1.0 109.7 139.8 PSI 29 29 A 21 PHE C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -159.2 -50.9 PHI 30 30 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 LYS N 1.0 86.3 181.1 PSI 31 31 A 22 LEU C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -163.6 -69.1 PHI 32 32 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 TRP N 1.0 83.5 164.3 PSI 33 33 A 23 LYS C A 24 TRP N A 24 TRP CA A 24 TRP C 1.0 -130.7 -50.4 PHI 34 34 A 24 TRP N A 24 TRP CA A 24 TRP C A 25 LYS N 1.0 77.2 154.9 PSI 35 35 A 26 GLY C A 27 PHE N A 27 PHE CA A 27 PHE C 1.0 -139.2 -67.0 PHI 36 36 A 27 PHE N A 27 PHE CA A 27 PHE C A 28 THR N 1.0 137.3 170.1 PSI 37 37 A 27 PHE C A 28 THR N A 28 THR CA A 28 THR C 1.0 -129.9 -46.6 PHI 38 38 A 28 THR N A 28 THR CA A 28 THR C A 29 ASP N 1.0 151.7 185.0 PSI 39 39 A 28 THR C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -75.9 -43.6 PHI 40 40 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 ALA N 1.0 -57.3 -12.2 PSI 41 41 A 29 ASP C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -89.6 -49.6 PHI 42 42 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 ASP N 1.0 -47.2 -18.0 PSI 43 43 A 32 ASN C A 33 THR N A 33 THR CA A 33 THR C 1.0 -162.4 -94.2 PHI 44 44 A 33 THR N A 33 THR CA A 33 THR C A 34 TRP N 1.0 141.0 172.4 PSI 45 45 A 33 THR C A 34 TRP N A 34 TRP CA A 34 TRP C 1.0 -146.4 -77.4 PHI 46 46 A 34 TRP N A 34 TRP CA A 34 TRP C A 35 GLU N 1.0 110.3 161.7 PSI 47 47 A 34 TRP C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -152.6 -100.9 PHI 48 48 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 PRO N 1.0 93.8 181.0 PSI 49 49 A 37 GLU C A 38 GLU N A 38 GLU CA A 38 GLU C 1.0 -88.6 -46.2 PHI 50 50 A 38 GLU N A 38 GLU CA A 38 GLU C A 39 ASN N 1.0 -67.5 12.3 PSI 51 51 A 41 ASP C A 42 CYS N A 42 CYS CA A 42 CYS C 1.0 -151.6 -58.6 PHI 52 52 A 42 CYS N A 42 CYS CA A 42 CYS C A 43 PRO N 1.0 92.5 195.6 PSI 53 53 A 43 PRO C A 44 GLU N A 44 GLU CA A 44 GLU C 1.0 -76.8 -51.4 PHI 54 54 A 44 GLU N A 44 GLU CA A 44 GLU C A 45 LEU N 1.0 -56.0 -21.9 PSI 55 55 A 44 GLU C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -76.4 -56.4 PHI 56 56 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 ILE N 1.0 -52.9 -22.5 PSI 57 57 A 45 LEU C A 46 ILE N A 46 ILE CA A 46 ILE C 1.0 -73.6 -53.5 PHI 58 58 A 46 ILE N A 46 ILE CA A 46 ILE C A 47 GLU N 1.0 -54.6 -34.6 PSI 59 59 A 46 ILE C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -70.8 -47.3 PHI 60 60 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 ALA N 1.0 -54.0 -30.8 PSI 61 61 A 47 GLU C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -74.1 -48.6 PHI 62 62 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 PHE N 1.0 -55.7 -29.5 PSI 63 63 A 48 ALA C A 49 PHE N A 49 PHE CA A 49 PHE C 1.0 -82.3 -50.2 PHI 64 64 A 49 PHE N A 49 PHE CA A 49 PHE C A 50 LEU N 1.0 -56.3 -26.6 PSI 65 65 A 49 PHE C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -85.3 -47.7 PHI 66 66 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 ASN N 1.0 -47.4 -26.6 PSI 67 67 A 50 LEU C A 51 ASN N A 51 ASN CA A 51 ASN C 1.0 -81.4 -50.6 PHI 68 68 A 51 ASN N A 51 ASN CA A 51 ASN C A 52 SER N 1.0 -47.7 -12.7 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 11198.208 3 1H 11160.714 stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 201.215 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 5499.794 2 1H 8000.000 3 1H 3000.000 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 5499.794 2 1H 8000.000 3 1H 3000.000 stop_ save_