data_nef_c16408_2km0 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 PDB 2K0Q 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 1 44 MET SD 2 1 CU1 CU 1 38 MET SD 2 1 CU1 CU 1 54 MET SD 2 1 CU1 CU 1 28 MET SD 2 1 CU1 CU 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 VAL start . . 2 A 2 ASP middle . . 3 A 3 MET middle . . 4 A 4 SER middle . . 5 A 5 ASN middle . . 6 A 6 VAL middle . . 7 A 7 VAL middle . . 8 A 8 LYS middle . . 9 A 9 THR middle . . 10 A 10 TYR middle . . 11 A 11 ASP middle . . 12 A 12 LEU middle . . 13 A 13 GLN middle . . 14 A 14 ASP middle . . 15 A 15 GLY middle . false 16 A 16 SER middle . . 17 A 17 LYS middle . . 18 A 18 VAL middle . . 19 A 19 HIS middle . . 20 A 20 VAL middle . . 21 A 21 PHE middle . . 22 A 22 LYS middle . . 23 A 23 ASP middle . . 24 A 24 GLY middle . false 25 A 25 LYS middle . . 26 A 26 MET middle . . 27 A 27 GLY middle . false 28 A 28 MET middle . . 29 A 29 GLU middle . . 30 A 30 ASN middle . . 31 A 31 LYS middle . . 32 A 32 PHE middle . . 33 A 33 GLY middle . false 34 A 34 LYS middle . . 35 A 35 SER middle . . 36 A 36 MET middle . . 37 A 37 ASN middle . . 38 A 38 MET middle . . 39 A 39 PRO middle . false 40 A 40 GLU middle . . 41 A 41 GLY middle . false 42 A 42 LYS middle . . 43 A 43 VAL middle . . 44 A 44 MET middle . . 45 A 45 GLU middle . . 46 A 46 THR middle . . 47 A 47 ARG middle . . 48 A 48 ASP middle . . 49 A 49 GLY middle . false 50 A 50 THR middle . . 51 A 51 LYS middle . . 52 A 52 ILE middle . . 53 A 53 ILE middle . . 54 A 54 MET middle . . 55 A 55 LYS middle . . 56 A 56 GLY middle . false 57 A 57 ASN middle . . 58 A 58 GLU middle . . 59 A 59 ILE middle . . 60 A 60 PHE middle . . 61 A 61 ARG middle . . 62 A 62 LEU middle . . 63 A 63 ASP middle . . 64 A 64 GLU middle . . 65 A 65 ALA middle . . 66 A 66 LEU middle . . 67 A 67 ARG middle . . 68 A 68 LYS middle . . 69 A 69 GLY middle . false 70 A 70 HIS middle . . 71 A 71 SER middle . . 72 A 72 GLU middle . . 73 A 73 GLY middle . false 74 A 74 GLY end . false 75 B 1 CU1 . . . 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 VAL HA H 1 3.73 0.02 A 1 VAL HB H 1 2.04 0.02 A 1 VAL HGx% H 1 0.81 0.02 A 1 VAL HGy% H 1 0.81 0.02 A 1 VAL C C 13 177.46 0.15 A 1 VAL CA C 13 60.98 0.15 A 1 VAL CB C 13 32.66 0.15 A 1 VAL CG1 C 13 20.04 0.15 A 1 VAL CG2 C 13 20.48 0.15 A 2 ASP HA H 1 4.65 0.02 A 2 ASP HBx H 1 2.61 0.02 A 2 ASP HBy H 1 2.84 0.02 A 2 ASP C C 13 176.40 0.15 A 2 ASP CA C 13 53.83 0.15 A 2 ASP CB C 13 40.90 0.15 A 3 MET H H 1 8.66 0.02 A 3 MET HA H 1 4.48 0.02 A 3 MET HBx H 1 1.91 0.02 A 3 MET HBy H 1 2.12 0.02 A 3 MET HE% H 1 1.80 0.02 A 3 MET HGx H 1 2.42 0.02 A 3 MET HGy H 1 2.62 0.02 A 3 MET C C 13 178.16 0.15 A 3 MET CA C 13 55.00 0.15 A 3 MET CB C 13 31.11 0.15 A 3 MET CE C 13 16.37 0.15 A 3 MET CG C 13 32.04 0.15 A 3 MET N N 15 123.73 0.15 A 4 SER H H 1 8.55 0.02 A 4 SER HA H 1 4.21 0.02 A 4 SER HBx H 1 3.89 0.02 A 4 SER HBy H 1 3.89 0.02 A 4 SER C C 13 174.98 0.15 A 4 SER CA C 13 61.22 0.15 A 4 SER CB C 13 63.13 0.15 A 4 SER N N 15 117.33 0.15 A 5 ASN H H 1 8.37 0.02 A 5 ASN HA H 1 4.89 0.02 A 5 ASN HBx H 1 2.85 0.02 A 5 ASN HBy H 1 3.17 0.02 A 5 ASN HD2y H 1 7.54 0.02 A 5 ASN HD2x H 1 6.92 0.02 A 5 ASN C C 13 174.13 0.15 A 5 ASN CA C 13 53.13 0.15 A 5 ASN CB C 13 39.54 0.15 A 5 ASN N N 15 118.09 0.15 A 5 ASN ND2 N 15 113.06 0.15 A 6 VAL H H 1 7.57 0.02 A 6 VAL HA H 1 3.72 0.02 A 6 VAL HB H 1 1.89 0.02 A 6 VAL HGx% H 1 0.43 0.02 A 6 VAL HGy% H 1 0.71 0.02 A 6 VAL C C 13 176.33 0.15 A 6 VAL CA C 13 63.45 0.15 A 6 VAL CB C 13 32.76 0.15 A 6 VAL CG1 C 13 22.85 0.15 A 6 VAL CG2 C 13 22.09 0.15 A 6 VAL N N 15 121.34 0.15 A 7 VAL H H 1 9.08 0.02 A 7 VAL HA H 1 4.24 0.02 A 7 VAL HB H 1 2.00 0.02 A 7 VAL HGx% H 1 0.79 0.02 A 7 VAL HGy% H 1 0.85 0.02 A 7 VAL C C 13 175.72 0.15 A 7 VAL CA C 13 62.35 0.15 A 7 VAL CB C 13 32.81 0.15 A 7 VAL CGx C 13 20.08 0.15 A 7 VAL CGy C 13 21.56 0.15 A 7 VAL N N 15 123.95 0.15 A 8 LYS H H 1 7.49 0.02 A 8 LYS HA H 1 4.36 0.02 A 8 LYS HBx H 1 1.45 0.02 A 8 LYS HBy H 1 1.65 0.02 A 8 LYS HDx H 1 1.52 0.02 A 8 LYS HDy H 1 1.52 0.02 A 8 LYS HEx H 1 2.59 0.02 A 8 LYS HEy H 1 2.70 0.02 A 8 LYS HGx H 1 0.93 0.02 A 8 LYS HGy H 1 0.99 0.02 A 8 LYS C C 13 172.82 0.15 A 8 LYS CA C 13 55.51 0.15 A 8 LYS CB C 13 36.19 0.15 A 8 LYS CD C 13 28.81 0.15 A 8 LYS CE C 13 42.11 0.15 A 8 LYS CG C 13 24.69 0.15 A 8 LYS N N 15 121.14 0.15 A 9 THR H H 1 8.10 0.02 A 9 THR HA H 1 5.11 0.02 A 9 THR HB H 1 3.52 0.02 A 9 THR HG2% H 1 0.92 0.02 A 9 THR C C 13 173.75 0.15 A 9 THR CA C 13 62.10 0.15 A 9 THR CB C 13 71.60 0.15 A 9 THR CG2 C 13 22.21 0.15 A 9 THR N N 15 121.14 0.15 A 10 TYR H H 1 9.10 0.02 A 10 TYR HA H 1 4.77 0.02 A 10 TYR HBx H 1 2.59 0.02 A 10 TYR HBy H 1 2.63 0.02 A 10 TYR HDx H 1 6.97 0.02 A 10 TYR HDy H 1 6.97 0.02 A 10 TYR HEx H 1 6.68 0.02 A 10 TYR HEy H 1 6.68 0.02 A 10 TYR C C 13 174.55 0.15 A 10 TYR CA C 13 56.54 0.15 A 10 TYR CB C 13 40.43 0.15 A 10 TYR N N 15 123.83 0.15 A 11 ASP H H 1 8.79 0.02 A 11 ASP HA H 1 4.79 0.02 A 11 ASP HBx H 1 2.50 0.02 A 11 ASP HBy H 1 2.67 0.02 A 11 ASP C C 13 176.07 0.15 A 11 ASP CA C 13 54.46 0.15 A 11 ASP CB C 13 41.95 0.15 A 11 ASP N N 15 123.14 0.15 A 12 LEU H H 1 8.61 0.02 A 12 LEU HA H 1 4.75 0.02 A 12 LEU HBx H 1 1.54 0.02 A 12 LEU HBy H 1 1.89 0.02 A 12 LEU HDx% H 1 0.51 0.02 A 12 LEU HDy% H 1 0.79 0.02 A 12 LEU HG H 1 1.57 0.02 A 12 LEU C C 13 179.14 0.15 A 12 LEU CA C 13 53.87 0.15 A 12 LEU CB C 13 41.03 0.15 A 12 LEU CDx C 13 23.11 0.15 A 12 LEU CDy C 13 26.32 0.15 A 12 LEU CG C 13 27.72 0.15 A 12 LEU N N 15 121.89 0.15 A 13 GLN H H 1 8.38 0.02 A 13 GLN HA H 1 3.97 0.02 A 13 GLN HBx H 1 1.94 0.02 A 13 GLN HBy H 1 2.00 0.02 A 13 GLN HE2y H 1 7.30 0.02 A 13 GLN HE2x H 1 6.70 0.02 A 13 GLN HGx H 1 2.29 0.02 A 13 GLN HGy H 1 2.35 0.02 A 13 GLN C C 13 175.89 0.15 A 13 GLN CA C 13 58.80 0.15 A 13 GLN CB C 13 28.47 0.15 A 13 GLN CG C 13 33.17 0.15 A 13 GLN N N 15 119.77 0.15 A 13 GLN NE2 N 15 110.75 0.15 A 14 ASP H H 1 7.89 0.02 A 14 ASP HA H 1 4.50 0.02 A 14 ASP HBx H 1 2.59 0.02 A 14 ASP HBy H 1 3.04 0.02 A 14 ASP C C 13 177.11 0.15 A 14 ASP CA C 13 53.47 0.15 A 14 ASP CB C 13 40.04 0.15 A 14 ASP N N 15 115.48 0.15 A 15 GLY H H 1 7.86 0.02 A 15 GLY HAx H 1 3.74 0.02 A 15 GLY HAy H 1 4.29 0.02 A 15 GLY C C 13 174.35 0.15 A 15 GLY CA C 13 45.25 0.15 A 15 GLY N N 15 108.07 0.15 A 16 SER H H 1 7.90 0.02 A 16 SER HA H 1 4.38 0.02 A 16 SER HBx H 1 3.89 0.02 A 16 SER HBy H 1 4.12 0.02 A 16 SER C C 13 171.99 0.15 A 16 SER CA C 13 58.74 0.15 A 16 SER CB C 13 64.53 0.15 A 16 SER N N 15 115.86 0.15 A 17 LYS H H 1 8.97 0.02 A 17 LYS HA H 1 5.21 0.02 A 17 LYS HBx H 1 1.23 0.02 A 17 LYS HBy H 1 1.23 0.02 A 17 LYS HDx H 1 1.43 0.02 A 17 LYS HDy H 1 1.46 0.02 A 17 LYS HEx H 1 2.90 0.02 A 17 LYS HEy H 1 2.90 0.02 A 17 LYS HGx H 1 1.23 0.02 A 17 LYS HGy H 1 1.37 0.02 A 17 LYS C C 13 175.58 0.15 A 17 LYS CA C 13 55.11 0.15 A 17 LYS CB C 13 37.82 0.15 A 17 LYS CD C 13 29.84 0.15 A 17 LYS CE C 13 42.23 0.15 A 17 LYS CG C 13 25.16 0.15 A 17 LYS N N 15 117.35 0.15 A 18 VAL H H 1 8.53 0.02 A 18 VAL HA H 1 4.93 0.02 A 18 VAL HB H 1 1.88 0.02 A 18 VAL HGx% H 1 1.01 0.02 A 18 VAL HGy% H 1 0.93 0.02 A 18 VAL C C 13 171.58 0.15 A 18 VAL CA C 13 58.64 0.15 A 18 VAL CB C 13 35.10 0.15 A 18 VAL CGx C 13 20.56 0.15 A 18 VAL CGy C 13 23.51 0.15 A 18 VAL N N 15 116.99 0.15 A 19 HIS H H 1 8.95 0.02 A 19 HIS HA H 1 5.13 0.02 A 19 HIS HBx H 1 2.45 0.02 A 19 HIS HBy H 1 2.61 0.02 A 19 HIS HD2 H 1 6.77 0.02 A 19 HIS HE1 H 1 7.81 0.02 A 19 HIS C C 13 174.37 0.15 A 19 HIS CA C 13 54.36 0.15 A 19 HIS CB C 13 32.97 0.15 A 19 HIS N N 15 127.84 0.15 A 20 VAL H H 1 9.29 0.02 A 20 VAL HA H 1 4.46 0.02 A 20 VAL HB H 1 2.08 0.02 A 20 VAL HGx% H 1 1.07 0.02 A 20 VAL HGy% H 1 1.06 0.02 A 20 VAL C C 13 175.81 0.15 A 20 VAL CA C 13 61.99 0.15 A 20 VAL CB C 13 32.73 0.15 A 20 VAL CG1 C 13 21.05 0.15 A 20 VAL CG2 C 13 20.91 0.15 A 20 VAL N N 15 123.22 0.15 A 21 PHE H H 1 9.07 0.02 A 21 PHE HA H 1 5.22 0.02 A 21 PHE HBx H 1 3.11 0.02 A 21 PHE HBy H 1 3.37 0.02 A 21 PHE HDx H 1 7.15 0.02 A 21 PHE HDy H 1 7.15 0.02 A 21 PHE HEx H 1 7.12 0.02 A 21 PHE HEy H 1 7.12 0.02 A 21 PHE HZ H 1 7.04 0.02 A 21 PHE C C 13 178.59 0.15 A 21 PHE CA C 13 58.08 0.15 A 21 PHE CB C 13 40.81 0.15 A 21 PHE N N 15 125.78 0.15 A 22 LYS H H 1 8.71 0.02 A 22 LYS HA H 1 3.96 0.02 A 22 LYS HBx H 1 1.93 0.02 A 22 LYS HBy H 1 1.93 0.02 A 22 LYS HDx H 1 1.73 0.02 A 22 LYS HDy H 1 1.73 0.02 A 22 LYS HEx H 1 2.98 0.02 A 22 LYS HEy H 1 2.98 0.02 A 22 LYS HGx H 1 1.46 0.02 A 22 LYS HGy H 1 1.51 0.02 A 22 LYS C C 13 176.47 0.15 A 22 LYS CA C 13 59.93 0.15 A 22 LYS CB C 13 32.90 0.15 A 22 LYS CD C 13 29.65 0.15 A 22 LYS CE C 13 42.18 0.15 A 22 LYS CG C 13 25.76 0.15 A 22 LYS N N 15 121.89 0.15 A 23 ASP H H 1 8.13 0.02 A 23 ASP HA H 1 4.54 0.02 A 23 ASP HBx H 1 2.67 0.02 A 23 ASP HBy H 1 3.10 0.02 A 23 ASP C C 13 176.94 0.15 A 23 ASP CA C 13 53.34 0.15 A 23 ASP CB C 13 39.67 0.15 A 23 ASP N N 15 115.40 0.15 A 24 GLY H H 1 8.29 0.02 A 24 GLY HAx H 1 3.62 0.02 A 24 GLY HAy H 1 4.30 0.02 A 24 GLY C C 13 174.17 0.15 A 24 GLY CA C 13 45.28 0.15 A 24 GLY N N 15 108.91 0.15 A 25 LYS H H 1 7.59 0.02 A 25 LYS HA H 1 4.39 0.02 A 25 LYS HBx H 1 1.85 0.02 A 25 LYS HBy H 1 2.03 0.02 A 25 LYS HDx H 1 1.57 0.02 A 25 LYS HDy H 1 1.57 0.02 A 25 LYS HEx H 1 2.90 0.02 A 25 LYS HEy H 1 2.90 0.02 A 25 LYS HGx H 1 1.17 0.02 A 25 LYS HGy H 1 1.36 0.02 A 25 LYS C C 13 175.18 0.15 A 25 LYS CA C 13 56.44 0.15 A 25 LYS CB C 13 33.05 0.15 A 25 LYS CD C 13 29.10 0.15 A 25 LYS CE C 13 42.38 0.15 A 25 LYS CG C 13 26.67 0.15 A 25 LYS N N 15 118.14 0.15 A 26 MET H H 1 8.48 0.02 A 26 MET HA H 1 5.95 0.02 A 26 MET HBx H 1 1.82 0.02 A 26 MET HBy H 1 1.82 0.02 A 26 MET HE% H 1 2.14 0.02 A 26 MET HGx H 1 2.72 0.02 A 26 MET HGy H 1 2.79 0.02 A 26 MET C C 13 175.74 0.15 A 26 MET CA C 13 55.16 0.15 A 26 MET CB C 13 37.57 0.15 A 26 MET CE C 13 18.57 0.15 A 26 MET CG C 13 34.58 0.15 A 26 MET N N 15 115.87 0.15 A 27 GLY H H 1 9.05 0.02 A 27 GLY HAx H 1 3.81 0.02 A 27 GLY HAy H 1 4.93 0.02 A 27 GLY C C 13 172.24 0.15 A 27 GLY CA C 13 44.71 0.15 A 27 GLY N N 15 106.72 0.15 A 28 MET H H 1 8.95 0.02 A 28 MET HA H 1 5.43 0.02 A 28 MET HBx H 1 2.10 0.02 A 28 MET HBy H 1 2.53 0.02 A 28 MET HE% H 1 2.17 0.02 A 28 MET HGx H 1 2.73 0.02 A 28 MET HGy H 1 2.83 0.02 A 28 MET C C 13 175.09 0.15 A 28 MET CA C 13 53.59 0.15 A 28 MET CB C 13 34.04 0.15 A 28 MET CE C 13 20.22 0.15 A 28 MET CG C 13 36.12 0.15 A 28 MET N N 15 119.55 0.15 A 29 GLU H H 1 8.66 0.02 A 29 GLU HA H 1 5.04 0.02 A 29 GLU HBx H 1 1.80 0.02 A 29 GLU HBy H 1 1.88 0.02 A 29 GLU HGx H 1 2.04 0.02 A 29 GLU HGy H 1 2.35 0.02 A 29 GLU C C 13 175.05 0.15 A 29 GLU CA C 13 54.25 0.15 A 29 GLU CB C 13 34.62 0.15 A 29 GLU CG C 13 36.34 0.15 A 29 GLU N N 15 120.93 0.15 A 30 ASN H H 1 9.16 0.02 A 30 ASN HA H 1 4.71 0.02 A 30 ASN HBx H 1 3.14 0.02 A 30 ASN HBy H 1 3.58 0.02 A 30 ASN HD2y H 1 7.86 0.02 A 30 ASN HD2x H 1 7.30 0.02 A 30 ASN C C 13 177.07 0.15 A 30 ASN CA C 13 51.39 0.15 A 30 ASN CB C 13 39.14 0.15 A 30 ASN N N 15 121.25 0.15 A 30 ASN ND2 N 15 112.44 0.15 A 31 LYS H H 1 8.53 0.02 A 31 LYS HA H 1 3.97 0.02 A 31 LYS HBx H 1 1.27 0.02 A 31 LYS HBy H 1 1.61 0.02 A 31 LYS HDx H 1 1.42 0.02 A 31 LYS HDy H 1 1.42 0.02 A 31 LYS HEx H 1 2.73 0.02 A 31 LYS HEy H 1 2.73 0.02 A 31 LYS HGx H 1 0.20 0.02 A 31 LYS HGy H 1 0.83 0.02 A 31 LYS C C 13 175.74 0.15 A 31 LYS CA C 13 58.33 0.15 A 31 LYS CB C 13 31.67 0.15 A 31 LYS CD C 13 29.40 0.15 A 31 LYS CE C 13 41.91 0.15 A 31 LYS CG C 13 22.96 0.15 A 31 LYS N N 15 116.99 0.15 A 32 PHE H H 1 7.47 0.02 A 32 PHE HA H 1 4.77 0.02 A 32 PHE HBx H 1 2.83 0.02 A 32 PHE HBy H 1 3.56 0.02 A 32 PHE HDx H 1 7.21 0.02 A 32 PHE HDy H 1 7.21 0.02 A 32 PHE HEx H 1 7.36 0.02 A 32 PHE HEy H 1 7.36 0.02 A 32 PHE HZ H 1 7.30 0.02 A 32 PHE C C 13 176.09 0.15 A 32 PHE CA C 13 56.68 0.15 A 32 PHE CB C 13 39.12 0.15 A 32 PHE N N 15 117.78 0.15 A 33 GLY H H 1 8.16 0.02 A 33 GLY HAx H 1 4.20 0.02 A 33 GLY HAy H 1 4.20 0.02 A 33 GLY C C 13 174.09 0.15 A 33 GLY CA C 13 45.68 0.15 A 33 GLY N N 15 108.13 0.15 A 34 LYS H H 1 7.69 0.02 A 34 LYS HA H 1 4.65 0.02 A 34 LYS HBx H 1 1.76 0.02 A 34 LYS HBy H 1 1.95 0.02 A 34 LYS HDx H 1 1.66 0.02 A 34 LYS HDy H 1 1.66 0.02 A 34 LYS HEx H 1 2.99 0.02 A 34 LYS HEy H 1 2.99 0.02 A 34 LYS HGx H 1 1.41 0.02 A 34 LYS HGy H 1 1.52 0.02 A 34 LYS C C 13 176.10 0.15 A 34 LYS CA C 13 53.63 0.15 A 34 LYS CB C 13 33.57 0.15 A 34 LYS CD C 13 28.48 0.15 A 34 LYS CE C 13 42.39 0.15 A 34 LYS CG C 13 24.80 0.15 A 34 LYS N N 15 119.15 0.15 A 35 SER H H 1 8.67 0.02 A 35 SER HA H 1 4.78 0.02 A 35 SER HBx H 1 3.84 0.02 A 35 SER HBy H 1 3.84 0.02 A 35 SER C C 13 173.71 0.15 A 35 SER CA C 13 59.35 0.15 A 35 SER CB C 13 63.93 0.15 A 35 SER N N 15 117.86 0.15 A 36 MET H H 1 7.70 0.02 A 36 MET HA H 1 4.76 0.02 A 36 MET HBx H 1 1.94 0.02 A 36 MET HBy H 1 1.94 0.02 A 36 MET HE% H 1 2.09 0.02 A 36 MET HGx H 1 2.32 0.02 A 36 MET HGy H 1 2.41 0.02 A 36 MET C C 13 173.58 0.15 A 36 MET CA C 13 54.15 0.15 A 36 MET CB C 13 36.43 0.15 A 36 MET CE C 13 17.52 0.15 A 36 MET CG C 13 31.64 0.15 A 36 MET N N 15 119.39 0.15 A 37 ASN H H 1 8.81 0.02 A 37 ASN HA H 1 4.85 0.02 A 37 ASN HBx H 1 2.64 0.02 A 37 ASN HBy H 1 2.65 0.02 A 37 ASN HD2y H 1 7.61 0.02 A 37 ASN HD2x H 1 6.94 0.02 A 37 ASN C C 13 174.82 0.15 A 37 ASN CA C 13 53.04 0.15 A 37 ASN CB C 13 40.89 0.15 A 37 ASN N N 15 121.86 0.15 A 37 ASN ND2 N 15 113.41 0.15 A 38 MET H H 1 8.43 0.02 A 38 MET HA H 1 4.77 0.02 A 38 MET HBx H 1 1.72 0.02 A 38 MET HBy H 1 2.49 0.02 A 38 MET HE% H 1 2.31 0.02 A 38 MET HGx H 1 2.74 0.02 A 38 MET HGy H 1 2.79 0.02 A 38 MET CA C 13 53.15 0.15 A 38 MET CB C 13 38.98 0.15 A 38 MET CE C 13 21.76 0.15 A 38 MET CG C 13 32.67 0.15 A 38 MET N N 15 122.70 0.15 A 39 PRO HA H 1 4.35 0.02 A 39 PRO HBx H 1 1.80 0.02 A 39 PRO HBy H 1 2.35 0.02 A 39 PRO HDx H 1 3.53 0.02 A 39 PRO HDy H 1 3.77 0.02 A 39 PRO HGx H 1 1.98 0.02 A 39 PRO HGy H 1 1.98 0.02 A 39 PRO C C 13 175.59 0.15 A 39 PRO CA C 13 62.98 0.15 A 39 PRO CB C 13 32.70 0.15 A 39 PRO CD C 13 51.66 0.15 A 39 PRO CG C 13 27.52 0.15 A 40 GLU H H 1 8.37 0.02 A 40 GLU HA H 1 3.65 0.02 A 40 GLU HBx H 1 1.93 0.02 A 40 GLU HBy H 1 1.98 0.02 A 40 GLU HGx H 1 2.20 0.02 A 40 GLU HGy H 1 2.39 0.02 A 40 GLU C C 13 177.79 0.15 A 40 GLU CA C 13 57.65 0.15 A 40 GLU CB C 13 30.05 0.15 A 40 GLU CG C 13 36.59 0.15 A 40 GLU N N 15 121.01 0.15 A 41 GLY H H 1 9.13 0.02 A 41 GLY HAx H 1 3.46 0.02 A 41 GLY HAy H 1 4.42 0.02 A 41 GLY C C 13 173.90 0.15 A 41 GLY CA C 13 45.00 0.15 A 41 GLY N N 15 112.17 0.15 A 42 LYS H H 1 6.95 0.02 A 42 LYS HA H 1 4.25 0.02 A 42 LYS HBx H 1 1.77 0.02 A 42 LYS HBy H 1 1.83 0.02 A 42 LYS HDx H 1 1.66 0.02 A 42 LYS HDy H 1 1.66 0.02 A 42 LYS HEx H 1 2.98 0.02 A 42 LYS HEy H 1 2.98 0.02 A 42 LYS HGx H 1 1.45 0.02 A 42 LYS HGy H 1 1.45 0.02 A 42 LYS C C 13 175.68 0.15 A 42 LYS CA C 13 55.58 0.15 A 42 LYS CB C 13 33.02 0.15 A 42 LYS CD C 13 28.48 0.15 A 42 LYS CE C 13 42.22 0.15 A 42 LYS CG C 13 25.17 0.15 A 42 LYS N N 15 120.15 0.15 A 43 VAL H H 1 8.55 0.02 A 43 VAL HA H 1 3.97 0.02 A 43 VAL HB H 1 1.94 0.02 A 43 VAL HGx% H 1 0.77 0.02 A 43 VAL HGy% H 1 0.95 0.02 A 43 VAL C C 13 175.82 0.15 A 43 VAL CA C 13 63.87 0.15 A 43 VAL CB C 13 32.28 0.15 A 43 VAL CG1 C 13 21.95 0.15 A 43 VAL CG2 C 13 22.12 0.15 A 43 VAL N N 15 124.68 0.15 A 44 MET H H 1 8.95 0.02 A 44 MET HA H 1 4.55 0.02 A 44 MET HBx H 1 1.92 0.02 A 44 MET HBy H 1 2.05 0.02 A 44 MET HE% H 1 2.11 0.02 A 44 MET HGx H 1 2.54 0.02 A 44 MET HGy H 1 2.54 0.02 A 44 MET C C 13 173.45 0.15 A 44 MET CA C 13 53.63 0.15 A 44 MET CB C 13 34.07 0.15 A 44 MET CE C 13 20.55 0.15 A 44 MET CG C 13 34.77 0.15 A 44 MET N N 15 127.22 0.15 A 45 GLU H H 1 8.69 0.02 A 45 GLU HA H 1 5.12 0.02 A 45 GLU HBx H 1 1.75 0.02 A 45 GLU HBy H 1 1.88 0.02 A 45 GLU HGx H 1 1.94 0.02 A 45 GLU HGy H 1 2.27 0.02 A 45 GLU C C 13 176.29 0.15 A 45 GLU CA C 13 54.87 0.15 A 45 GLU CB C 13 32.15 0.15 A 45 GLU CG C 13 36.69 0.15 A 45 GLU N N 15 122.60 0.15 A 46 THR H H 1 9.06 0.02 A 46 THR HA H 1 4.77 0.02 A 46 THR HB H 1 4.86 0.02 A 46 THR HG2% H 1 1.00 0.02 A 46 THR C C 13 176.66 0.15 A 46 THR CA C 13 61.26 0.15 A 46 THR CB C 13 70.40 0.15 A 46 THR CG2 C 13 21.70 0.15 A 46 THR N N 15 116.56 0.15 A 47 ARG H H 1 8.61 0.02 A 47 ARG HA H 1 4.02 0.02 A 47 ARG HBx H 1 1.80 0.02 A 47 ARG HBy H 1 1.87 0.02 A 47 ARG HDx H 1 3.20 0.02 A 47 ARG HDy H 1 3.20 0.02 A 47 ARG HGx H 1 1.52 0.02 A 47 ARG HGy H 1 1.57 0.02 A 47 ARG C C 13 176.48 0.15 A 47 ARG CA C 13 59.33 0.15 A 47 ARG CB C 13 29.90 0.15 A 47 ARG CD C 13 43.34 0.15 A 47 ARG CG C 13 27.73 0.15 A 47 ARG N N 15 119.63 0.15 A 48 ASP H H 1 7.88 0.02 A 48 ASP HA H 1 4.72 0.02 A 48 ASP HBx H 1 2.64 0.02 A 48 ASP HBy H 1 2.93 0.02 A 48 ASP C C 13 176.48 0.15 A 48 ASP CA C 13 53.38 0.15 A 48 ASP CB C 13 40.77 0.15 A 48 ASP N N 15 114.55 0.15 A 49 GLY H H 1 7.82 0.02 A 49 GLY HAx H 1 3.76 0.02 A 49 GLY HAy H 1 4.23 0.02 A 49 GLY C C 13 174.56 0.15 A 49 GLY CA C 13 45.49 0.15 A 49 GLY N N 15 107.97 0.15 A 50 THR H H 1 7.78 0.02 A 50 THR HA H 1 4.10 0.02 A 50 THR HB H 1 4.17 0.02 A 50 THR HG1 H 1 5.53 0.02 A 50 THR HG2% H 1 1.04 0.02 A 50 THR C C 13 173.33 0.15 A 50 THR CA C 13 63.51 0.15 A 50 THR CB C 13 68.86 0.15 A 50 THR CG2 C 13 21.45 0.15 A 50 THR N N 15 118.50 0.15 A 51 LYS H H 1 8.56 0.02 A 51 LYS HA H 1 5.02 0.02 A 51 LYS HBx H 1 1.45 0.02 A 51 LYS HBy H 1 1.72 0.02 A 51 LYS HDx H 1 1.54 0.02 A 51 LYS HDy H 1 1.54 0.02 A 51 LYS HEx H 1 2.90 0.02 A 51 LYS HEy H 1 2.90 0.02 A 51 LYS HGx H 1 1.22 0.02 A 51 LYS HGy H 1 1.46 0.02 A 51 LYS C C 13 176.00 0.15 A 51 LYS CA C 13 55.23 0.15 A 51 LYS CB C 13 33.57 0.15 A 51 LYS CD C 13 29.05 0.15 A 51 LYS CE C 13 42.28 0.15 A 51 LYS CG C 13 25.64 0.15 A 51 LYS N N 15 125.29 0.15 A 52 ILE H H 1 8.88 0.02 A 52 ILE HA H 1 4.19 0.02 A 52 ILE HB H 1 1.22 0.02 A 52 ILE HD1% H 1 -0.07 0.02 A 52 ILE HG12 H 1 0.58 0.02 A 52 ILE HG13 H 1 0.84 0.02 A 52 ILE HG21 H 1 0.53 0.02 A 52 ILE HG22 H 1 0.53 0.02 A 52 ILE HG23 H 1 0.53 0.02 A 52 ILE C C 13 174.77 0.15 A 52 ILE CA C 13 59.45 0.15 A 52 ILE CB C 13 41.77 0.15 A 52 ILE CD1 C 13 12.74 0.15 A 52 ILE CG1 C 13 26.61 0.15 A 52 ILE CG2 C 13 17.51 0.15 A 52 ILE N N 15 123.63 0.15 A 53 ILE H H 1 8.55 0.02 A 53 ILE HA H 1 4.05 0.02 A 53 ILE HB H 1 1.69 0.02 A 53 ILE HD1% H 1 0.76 0.02 A 53 ILE HG12 H 1 1.12 0.02 A 53 ILE HG13 H 1 1.48 0.02 A 53 ILE HG21 H 1 0.76 0.02 A 53 ILE HG22 H 1 0.76 0.02 A 53 ILE HG23 H 1 0.76 0.02 A 53 ILE C C 13 176.36 0.15 A 53 ILE CA C 13 60.63 0.15 A 53 ILE CB C 13 37.66 0.15 A 53 ILE CD1 C 13 12.43 0.15 A 53 ILE CG1 C 13 28.36 0.15 A 53 ILE CG2 C 13 17.84 0.15 A 53 ILE N N 15 128.18 0.15 A 54 MET H H 1 8.88 0.02 A 54 MET HA H 1 4.25 0.02 A 54 MET HBx H 1 1.82 0.02 A 54 MET HBy H 1 2.60 0.02 A 54 MET HE% H 1 2.38 0.02 A 54 MET HGx H 1 2.68 0.02 A 54 MET HGy H 1 3.08 0.02 A 54 MET CA C 13 56.42 0.15 A 54 MET CB C 13 31.64 0.15 A 54 MET CE C 13 22.09 0.15 A 54 MET CG C 13 35.47 0.15 A 54 MET N N 15 126.15 0.15 A 57 ASN H H 1 8.75 0.02 A 57 ASN HA H 1 4.95 0.02 A 57 ASN HBx H 1 2.65 0.02 A 57 ASN HBy H 1 3.03 0.02 A 57 ASN HD2y H 1 7.47 0.02 A 57 ASN HD2x H 1 7.18 0.02 A 57 ASN CA C 13 53.58 0.15 A 57 ASN CB C 13 39.34 0.15 A 57 ASN N N 15 123.47 0.15 A 57 ASN ND2 N 15 112.18 0.15 A 58 GLU H H 1 8.57 0.02 A 58 GLU HA H 1 4.74 0.02 A 58 GLU HBx H 1 1.47 0.02 A 58 GLU HBy H 1 1.61 0.02 A 58 GLU HGx H 1 1.76 0.02 A 58 GLU HGy H 1 2.10 0.02 A 58 GLU CA C 13 55.20 0.15 A 58 GLU CB C 13 24.90 0.15 A 58 GLU CG C 13 34.16 0.15 A 58 GLU N N 15 116.31 0.15 A 59 ILE H H 1 7.99 0.02 A 59 ILE HA H 1 3.97 0.02 A 59 ILE HB H 1 1.72 0.02 A 59 ILE HD1% H 1 0.76 0.02 A 59 ILE HG12 H 1 1.06 0.02 A 59 ILE HG13 H 1 1.34 0.02 A 59 ILE HG21 H 1 0.78 0.02 A 59 ILE HG22 H 1 0.78 0.02 A 59 ILE HG23 H 1 0.78 0.02 A 59 ILE CA C 13 62.11 0.15 A 59 ILE CB C 13 38.46 0.15 A 59 ILE CD1 C 13 12.88 0.15 A 59 ILE CG1 C 13 27.27 0.15 A 59 ILE CG2 C 13 17.55 0.15 A 59 ILE N N 15 122.32 0.15 A 60 PHE H H 1 8.21 0.02 A 60 PHE HA H 1 4.57 0.02 A 60 PHE HBx H 1 3.00 0.02 A 60 PHE HBy H 1 3.10 0.02 A 60 PHE HDx H 1 7.22 0.02 A 60 PHE HDy H 1 7.22 0.02 A 60 PHE HEx H 1 7.26 0.02 A 60 PHE HEy H 1 7.26 0.02 A 60 PHE HZ H 1 7.19 0.02 A 60 PHE CA C 13 58.40 0.15 A 60 PHE CB C 13 39.32 0.15 A 60 PHE N N 15 123.01 0.15 A 61 ARG H H 1 8.04 0.02 A 61 ARG HA H 1 4.22 0.02 A 61 ARG HBx H 1 1.61 0.02 A 61 ARG HBy H 1 1.66 0.02 A 61 ARG HDx H 1 2.71 0.02 A 61 ARG HDy H 1 2.92 0.02 A 61 ARG HGx H 1 1.44 0.02 A 61 ARG HGy H 1 1.52 0.02 A 61 ARG CA C 13 56.82 0.15 A 61 ARG CB C 13 31.37 0.15 A 61 ARG CD C 13 43.30 0.15 A 61 ARG CG C 13 27.02 0.15 A 61 ARG N N 15 121.62 0.15 A 62 LEU H H 1 8.16 0.02 A 62 LEU HA H 1 4.27 0.02 A 62 LEU HBx H 1 1.62 0.02 A 62 LEU HBy H 1 1.66 0.02 A 62 LEU HDx% H 1 0.86 0.02 A 62 LEU HDy% H 1 0.84 0.02 A 62 LEU HG H 1 1.63 0.02 A 62 LEU C C 13 177.13 0.15 A 62 LEU CA C 13 55.77 0.15 A 62 LEU CB C 13 42.28 0.15 A 62 LEU CD1 C 13 24.87 0.15 A 62 LEU CD2 C 13 24.49 0.15 A 62 LEU CG C 13 27.08 0.15 A 62 LEU N N 15 122.40 0.15 A 63 ASP H H 1 8.29 0.02 A 63 ASP HA H 1 4.49 0.02 A 63 ASP HBx H 1 2.67 0.02 A 63 ASP HBy H 1 2.68 0.02 A 63 ASP C C 13 177.26 0.15 A 63 ASP CA C 13 55.46 0.15 A 63 ASP CB C 13 40.96 0.15 A 63 ASP N N 15 120.46 0.15 A 64 GLU H H 1 8.14 0.02 A 64 GLU HA H 1 4.07 0.02 A 64 GLU HBx H 1 1.97 0.02 A 64 GLU HBy H 1 2.01 0.02 A 64 GLU HGx H 1 2.21 0.02 A 64 GLU HGy H 1 2.24 0.02 A 64 GLU C C 13 177.31 0.15 A 64 GLU CA C 13 58.08 0.15 A 64 GLU CB C 13 30.06 0.15 A 64 GLU CG C 13 36.43 0.15 A 64 GLU N N 15 121.00 0.15 A 65 ALA H H 1 8.12 0.02 A 65 ALA HA H 1 4.18 0.02 A 65 ALA HB% H 1 1.42 0.02 A 65 ALA C C 13 178.89 0.15 A 65 ALA CA C 13 53.84 0.15 A 65 ALA CB C 13 18.75 0.15 A 65 ALA N N 15 122.79 0.15 A 66 LEU H H 1 8.05 0.02 A 66 LEU HA H 1 4.22 0.02 A 66 LEU HBx H 1 1.56 0.02 A 66 LEU HBy H 1 1.72 0.02 A 66 LEU HDx% H 1 0.81 0.02 A 66 LEU HDy% H 1 0.87 0.02 A 66 LEU HG H 1 1.63 0.02 A 66 LEU C C 13 178.01 0.15 A 66 LEU CA C 13 55.77 0.15 A 66 LEU CB C 13 42.13 0.15 A 66 LEU CD1 C 13 23.11 0.15 A 66 LEU CD2 C 13 25.19 0.15 A 66 LEU CG C 13 26.97 0.15 A 66 LEU N N 15 118.68 0.15 A 67 ARG H H 1 7.88 0.02 A 67 ARG HA H 1 4.21 0.02 A 67 ARG HBx H 1 1.80 0.02 A 67 ARG HBy H 1 1.85 0.02 A 67 ARG HDx H 1 3.17 0.02 A 67 ARG HDy H 1 3.17 0.02 A 67 ARG HGx H 1 1.58 0.02 A 67 ARG HGy H 1 1.66 0.02 A 67 ARG CA C 13 56.74 0.15 A 67 ARG CB C 13 30.63 0.15 A 67 ARG CD C 13 43.48 0.15 A 67 ARG CG C 13 27.39 0.15 A 67 ARG N N 15 120.14 0.15 A 68 LYS H H 1 8.11 0.02 A 68 LYS N N 15 121.55 0.15 A 69 GLY H H 1 8.36 0.02 A 69 GLY N N 15 109.61 0.15 A 70 HIS H H 1 8.26 0.02 A 70 HIS HA H 1 4.69 0.02 A 70 HIS HBx H 1 3.14 0.02 A 70 HIS HBy H 1 3.24 0.02 A 70 HIS HD2 H 1 7.24 0.02 A 70 HIS HE1 H 1 8.50 0.02 A 70 HIS CA C 13 55.98 0.15 A 70 HIS CB C 13 29.94 0.15 A 70 HIS N N 15 118.88 0.15 A 71 SER HA H 1 4.46 0.02 A 71 SER HBx H 1 3.85 0.02 A 71 SER HBy H 1 3.85 0.02 A 71 SER C C 13 174.49 0.15 A 71 SER CA C 13 58.44 0.15 A 71 SER CB C 13 63.91 0.15 A 72 GLU H H 1 8.59 0.02 A 72 GLU HA H 1 4.32 0.02 A 72 GLU HBx H 1 1.94 0.02 A 72 GLU HBy H 1 2.09 0.02 A 72 GLU HGx H 1 2.27 0.02 A 72 GLU HGy H 1 2.27 0.02 A 72 GLU C C 13 176.87 0.15 A 72 GLU CA C 13 56.92 0.15 A 72 GLU CB C 13 30.16 0.15 A 72 GLU CG C 13 36.31 0.15 A 72 GLU N N 15 122.98 0.15 A 73 GLY H H 1 8.40 0.02 A 73 GLY HAx H 1 3.92 0.02 A 73 GLY HAy H 1 3.99 0.02 A 73 GLY C C 13 173.68 0.15 A 73 GLY CA C 13 45.38 0.15 A 73 GLY N N 15 110.17 0.15 A 74 GLY H H 1 7.91 0.02 A 74 GLY HAx H 1 3.75 0.02 A 74 GLY HAy H 1 3.75 0.02 A 74 GLY CA C 13 46.09 0.15 A 74 GLY N N 15 115.23 0.15 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 52 ILE HA A 53 ILE H 1.0 0.0 2.99 2 2 A 53 ILE H A 43 VAL HA 1.0 0.0 5.50 3 3 A 53 ILE H A 44 MET HE% 1.0 0.0 5.50 4 4 A 53 ILE H A 53 ILE HB 1.0 0.0 3.21 5 5 A 53 ILE H A 53 ILE HG12 1.0 0.0 4.68 6 6 A 53 ILE H A 52 ILE HB 1.0 0.0 4.92 7 7 A 53 ILE H A 53 ILE HG13 1.0 0.0 4.13 8 8 A 53 ILE H A 53 ILE HD1% 1.0 0.0 4.23 9 9 A 53 ILE H A 52 ILE HG21 1.0 0.0 3.95 10 10 A 53 ILE H A 52 ILE HD1% 1.0 0.0 5.50 11 11 A 53 ILE H A 52 ILE HG12 1.0 0.0 5.50 12 12 A 18 VAL H A 19 HIS H 1.0 0.0 5.28 13 13 A 19 HIS H A 28 MET HA 1.0 0.0 4.53 14 14 A 19 HIS H A 18 VAL HA 1.0 0.0 3.14 15 15 A 19 HIS H A 20 VAL HA 1.0 0.0 5.50 16 16 A 19 HIS H A 19 HIS HBx 1.0 0.0 3.74 17 17 A 19 HIS H A 28 MET HE% 1.0 0.0 5.50 18 18 A 19 HIS H A 18 VAL HGy% 1.0 0.0 3.93 19 19 A 19 HIS H A 20 VAL H 1.0 0.0 5.50 20 20 A 19 HIS H A 27 GLY HAy 1.0 0.0 5.50 21 21 A 19 HIS H A 18 VAL HGx% 1.0 0.0 4.98 22 22 A 19 HIS H A 18 VAL HB 1.0 0.0 4.41 23 23 A 44 MET H A 45 GLU H 1.0 0.0 5.21 24 24 A 44 MET H A 53 ILE HA 1.0 0.0 4.16 25 25 A 43 VAL HA A 44 MET H 1.0 0.0 2.93 26 26 A 44 MET H A 44 MET HGx 1.0 0.0 3.92 27 26 A 44 MET H A 44 MET HGy 1.0 0.0 3.92 28 27 A 44 MET H A 44 MET HBx 1.0 0.0 3.65 29 28 A 44 MET H A 44 MET HBy 1.0 0.0 3.89 30 29 A 52 ILE HB A 44 MET H 1.0 0.0 4.72 31 30 A 44 MET H A 43 VAL HGx% 1.0 0.0 3.76 32 31 A 52 ILE HG21 A 44 MET H 1.0 0.0 5.49 33 32 A 40 GLU HA A 54 MET H 1.0 0.0 5.50 34 33 A 54 MET H A 43 VAL HGy% 1.0 0.0 5.50 35 34 A 52 ILE HG21 A 54 MET H 1.0 0.0 5.50 36 35 A 54 MET H A 41 GLY H 1.0 0.0 4.54 37 36 A 44 MET HE% A 54 MET H 1.0 0.0 4.26 38 37 A 53 ILE HB A 54 MET H 1.0 0.0 4.73 39 38 A 53 ILE HG12 A 54 MET H 1.0 0.0 5.20 40 39 A 54 MET H A 53 ILE HG21 1.0 0.0 3.74 41 40 A 53 ILE H A 54 MET H 1.0 0.0 5.17 42 41 A 54 MET H A 42 LYS H 1.0 0.0 4.58 43 42 A 53 ILE HA A 54 MET H 1.0 0.0 2.91 44 43 A 54 MET H A 41 GLY HAy 1.0 0.0 5.50 45 44 A 54 MET H A 54 MET HBx 1.0 0.0 3.53 46 45 A 54 MET H A 54 MET HBy 1.0 0.0 3.35 47 46 A 53 ILE HG13 A 54 MET H 1.0 0.0 5.34 48 47 A 20 VAL H A 21 PHE H 1.0 0.0 5.35 49 48 A 21 PHE H A 22 LYS H 1.0 0.0 5.50 50 49 A 21 PHE H A 21 PHE HD% 1.0 0.0 3.83 51 50 A 21 PHE H A 26 MET HA 1.0 0.0 4.34 52 51 A 20 VAL HA A 21 PHE H 1.0 0.0 3.01 53 52 A 21 PHE H A 6 VAL HA 1.0 0.0 5.50 54 53 A 21 PHE H A 21 PHE HBx 1.0 0.0 3.95 55 54 A 21 PHE H A 26 MET HGx 1.0 0.0 5.50 56 55 A 21 PHE H A 26 MET HGy 1.0 0.0 5.19 57 56 A 21 PHE H A 20 VAL HB 1.0 0.0 4.92 58 57 A 21 PHE H A 20 VAL HGx% 1.0 0.0 3.77 59 58 A 21 PHE H A 7 VAL HGx% 1.0 0.0 5.50 60 59 A 51 LYS H A 52 ILE H 1.0 0.0 5.04 61 60 A 51 LYS H A 45 GLU HA 1.0 0.0 5.50 62 61 A 51 LYS H A 50 THR HB 1.0 0.0 4.23 63 62 A 51 LYS H A 50 THR HA 1.0 0.0 2.81 64 63 A 51 LYS H A 51 LYS HEx 1.0 0.0 5.50 65 63 A 51 LYS H A 51 LYS HEy 1.0 0.0 5.50 66 64 A 51 LYS H A 51 LYS HBx 1.0 0.0 3.25 67 65 A 51 LYS H A 51 LYS HDx 1.0 0.0 4.77 68 65 A 51 LYS H A 51 LYS HDy 1.0 0.0 4.77 69 66 A 51 LYS H A 51 LYS HBy 1.0 0.0 3.40 70 67 A 51 LYS H A 51 LYS HGy 1.0 0.0 4.28 71 68 A 51 LYS H A 50 THR HG2% 1.0 0.0 3.62 72 69 A 52 ILE HD1% A 51 LYS H 1.0 0.0 5.50 73 70 A 44 MET H A 43 VAL H 1.0 0.0 5.10 74 71 A 42 LYS H A 43 VAL H 1.0 0.0 4.92 75 72 A 43 VAL H A 42 LYS HA 1.0 0.0 2.77 76 73 A 43 VAL H A 43 VAL HB 1.0 0.0 2.98 77 74 A 43 VAL H A 42 LYS HBx 1.0 0.0 3.81 78 75 A 43 VAL HGy% A 43 VAL H 1.0 0.0 3.41 79 76 A 43 VAL HGx% A 43 VAL H 1.0 0.0 4.17 80 77 A 10 TYR H A 10 TYR HD% 1.0 0.0 4.27 81 78 A 10 TYR H A 9 THR HA 1.0 0.0 3.20 82 79 A 10 TYR H A 10 TYR HBy 1.0 0.0 3.97 83 80 A 18 VAL HGx% A 10 TYR H 1.0 0.0 4.45 84 81 A 10 TYR H A 9 THR HG2% 1.0 0.0 4.03 85 82 A 10 TYR H A 9 THR H 1.0 0.0 5.50 86 83 A 10 TYR H A 9 THR HB 1.0 0.0 5.15 87 84 A 18 VAL HB A 10 TYR H 1.0 0.0 5.50 88 85 A 6 VAL HGy% A 7 VAL H 1.0 0.0 5.50 89 86 A 2 ASP HA A 3 MET H 1.0 0.0 3.02 90 87 A 3 MET H A 2 ASP HBx 1.0 0.0 5.00 91 88 A 3 MET H A 3 MET HGx 1.0 0.0 3.94 92 89 A 3 MET H A 3 MET HGy 1.0 0.0 3.72 93 90 A 3 MET H A 3 MET HBx 1.0 0.0 4.09 94 91 A 3 MET H A 3 MET HBy 1.0 0.0 3.51 95 92 A 52 ILE HD1% A 52 ILE H 1.0 0.0 5.30 96 93 A 53 ILE H A 52 ILE H 1.0 0.0 4.34 97 94 A 52 ILE H A 45 GLU HA 1.0 0.0 4.14 98 95 A 52 ILE H A 51 LYS HA 1.0 0.0 2.83 99 96 A 53 ILE HA A 52 ILE H 1.0 0.0 5.22 100 97 A 43 VAL HA A 52 ILE H 1.0 0.0 5.11 101 98 A 44 MET HBx A 52 ILE H 1.0 0.0 5.23 102 99 A 44 MET HBy A 52 ILE H 1.0 0.0 5.50 103 100 A 52 ILE H A 51 LYS HBx 1.0 0.0 4.59 104 101 A 52 ILE H A 51 LYS HDx 1.0 0.0 5.50 105 101 A 52 ILE H A 51 LYS HDy 1.0 0.0 5.50 106 102 A 52 ILE H A 51 LYS HBy 1.0 0.0 3.87 107 103 A 52 ILE HB A 52 ILE H 1.0 0.0 3.47 108 104 A 52 ILE H A 46 THR HG2% 1.0 0.0 5.50 109 105 A 52 ILE H A 52 ILE HG12 1.0 0.0 4.36 110 106 A 53 ILE HD1% A 52 ILE H 1.0 0.0 4.45 111 107 A 52 ILE HG21 A 52 ILE H 1.0 0.0 4.57 112 108 A 3 MET H A 1 VAL HGx% 1.0 0.0 5.50 113 109 A 3 MET H A 4 SER HBx 1.0 0.0 5.50 114 109 A 3 MET H A 4 SER HBy 1.0 0.0 5.50 115 110 A 52 ILE H A 46 THR H 1.0 0.0 4.71 116 111 A 10 TYR H A 11 ASP H 1.0 0.0 5.50 117 112 A 20 VAL H A 8 LYS HA 1.0 0.0 5.50 118 113 A 18 VAL HGy% A 20 VAL H 1.0 0.0 5.37 119 114 A 20 VAL H A 8 LYS H 1.0 0.0 4.42 120 115 A 20 VAL H A 19 HIS HA 1.0 0.0 3.18 121 116 A 19 HIS HBx A 20 VAL H 1.0 0.0 4.94 122 117 A 20 VAL H A 19 HIS HBy 1.0 0.0 4.41 123 118 A 20 VAL H A 20 VAL HB 1.0 0.0 3.65 124 119 A 20 VAL H A 8 LYS HBy 1.0 0.0 5.28 125 120 A 20 VAL H A 20 VAL HGy% 1.0 0.0 3.87 126 121 A 20 VAL H A 7 VAL HGx% 1.0 0.0 5.50 127 122 A 20 VAL H A 6 VAL HGy% 1.0 0.0 4.32 128 123 A 20 VAL H A 6 VAL HGx% 1.0 0.0 5.50 129 124 A 11 ASP H A 47 ARG H 1.0 0.0 4.48 130 125 A 10 TYR HD% A 11 ASP H 1.0 0.0 4.65 131 126 A 11 ASP H A 17 LYS HA 1.0 0.0 5.50 132 127 A 11 ASP H A 46 THR HB 1.0 0.0 4.89 133 128 A 11 ASP H A 10 TYR HA 1.0 0.0 3.11 134 129 A 11 ASP H A 10 TYR HBx 1.0 0.0 3.43 135 130 A 11 ASP H A 11 ASP HBy 1.0 0.0 3.18 136 131 A 46 THR HG2% A 11 ASP H 1.0 0.0 4.89 137 132 A 9 THR HG2% A 11 ASP H 1.0 0.0 5.21 138 133 A 11 ASP H A 12 LEU HDx% 1.0 0.0 5.50 139 134 A 57 ASN H A 58 GLU HA 1.0 0.0 5.39 140 135 A 72 GLU H A 73 GLY H 1.0 0.0 5.50 141 136 A 72 GLU H A 71 SER HBx 1.0 0.0 5.01 142 136 A 72 GLU H A 71 SER HBy 1.0 0.0 5.01 143 137 A 72 GLU H A 72 GLU HGx 1.0 0.0 5.50 144 137 A 72 GLU H A 72 GLU HGy 1.0 0.0 5.50 145 138 A 60 PHE H A 61 ARG H 1.0 0.0 4.59 146 139 A 60 PHE H A 60 PHE HD% 1.0 0.0 5.32 147 140 A 60 PHE H A 60 PHE HBy 1.0 0.0 4.06 148 141 A 60 PHE H A 59 ILE HB 1.0 0.0 4.65 149 142 A 60 PHE H A 59 ILE HG12 1.0 0.0 5.50 150 143 A 60 PHE H A 59 ILE HG21 1.0 0.0 4.73 151 144 A 37 ASN HA A 38 MET H 1.0 0.0 3.33 152 145 A 65 ALA H A 66 LEU H 1.0 0.0 3.26 153 146 A 65 ALA H A 67 ARG H 1.0 0.0 5.26 154 147 A 65 ALA H A 63 ASP HA 1.0 0.0 5.09 155 148 A 65 ALA H A 64 GLU HGy 1.0 0.0 5.34 156 149 A 65 ALA H A 64 GLU HBx 1.0 0.0 4.06 157 150 A 65 ALA H A 65 ALA HB% 1.0 0.0 3.45 158 151 A 45 GLU H A 44 MET HA 1.0 0.0 2.89 159 152 A 45 GLU H A 44 MET HGx 1.0 0.0 4.56 160 152 A 45 GLU H A 44 MET HGy 1.0 0.0 4.56 161 153 A 45 GLU H A 45 GLU HGx 1.0 0.0 5.34 162 154 A 45 GLU H A 44 MET HBx 1.0 0.0 4.53 163 155 A 45 GLU H A 45 GLU HBx 1.0 0.0 3.31 164 156 A 45 GLU H A 45 GLU HBy 1.0 0.0 3.37 165 157 A 45 GLU H A 46 THR HG2% 1.0 0.0 5.50 166 158 A 45 GLU H A 43 VAL HGx% 1.0 0.0 4.51 167 159 A 45 GLU H A 12 LEU HDx% 1.0 0.0 4.38 168 160 A 45 GLU H A 52 ILE H 1.0 0.0 5.26 169 161 A 45 GLU H A 13 GLN H 1.0 0.0 5.06 170 162 A 45 GLU H A 51 LYS HA 1.0 0.0 5.42 171 163 A 62 LEU H A 62 LEU HDy% 1.0 0.0 5.50 172 164 A 57 ASN H A 59 ILE H 1.0 0.0 5.50 173 165 A 59 ILE H A 57 ASN HA 1.0 0.0 5.50 174 166 A 59 ILE HB A 59 ILE H 1.0 0.0 3.74 175 167 A 59 ILE H A 58 GLU HBx 1.0 0.0 4.67 176 168 A 59 ILE HG12 A 59 ILE H 1.0 0.0 4.49 177 169 A 59 ILE H A 59 ILE HG13 1.0 0.0 4.33 178 170 A 59 ILE HG21 A 59 ILE H 1.0 0.0 4.52 179 171 A 22 LYS H A 21 PHE HD% 1.0 0.0 5.08 180 172 A 22 LYS H A 5 ASN HA 1.0 0.0 5.50 181 173 A 22 LYS H A 6 VAL HA 1.0 0.0 4.84 182 174 A 22 LYS H A 21 PHE HBx 1.0 0.0 3.62 183 175 A 22 LYS H A 21 PHE HBy 1.0 0.0 4.16 184 176 A 22 LYS H A 5 ASN HBy 1.0 0.0 5.50 185 177 A 22 LYS H A 22 LYS HBx 1.0 0.0 3.35 186 177 A 22 LYS H A 22 LYS HBy 1.0 0.0 3.35 187 178 A 22 LYS H A 22 LYS HGx 1.0 0.0 4.22 188 179 A 22 LYS H A 7 VAL HGy% 1.0 0.0 5.30 189 180 A 22 LYS H A 7 VAL HGx% 1.0 0.0 4.97 190 181 A 36 MET HA A 37 ASN H 1.0 0.0 3.56 191 182 A 37 ASN H A 36 MET HBx 1.0 0.0 5.31 192 182 A 37 ASN H A 36 MET HBy 1.0 0.0 5.31 193 183 A 12 LEU H A 17 LYS H 1.0 0.0 5.50 194 184 A 11 ASP H A 12 LEU H 1.0 0.0 4.81 195 185 A 13 GLN H A 12 LEU H 1.0 0.0 5.05 196 186 A 12 LEU H A 11 ASP HA 1.0 0.0 3.04 197 187 A 18 VAL HGx% A 12 LEU H 1.0 0.0 5.50 198 188 A 17 LYS HA A 12 LEU H 1.0 0.0 3.62 199 189 A 12 LEU H A 11 ASP HBx 1.0 0.0 3.96 200 190 A 11 ASP HBy A 12 LEU H 1.0 0.0 4.57 201 191 A 12 LEU H A 12 LEU HBx 1.0 0.0 3.36 202 192 A 12 LEU H A 12 LEU HBy 1.0 0.0 3.50 203 193 A 12 LEU H A 17 LYS HGx 1.0 0.0 4.80 204 194 A 12 LEU H A 17 LYS HBx 1.0 0.0 4.56 205 194 A 12 LEU H A 17 LYS HBy 1.0 0.0 4.56 206 195 A 9 THR HG2% A 12 LEU H 1.0 0.0 5.50 207 196 A 12 LEU H A 12 LEU HDy% 1.0 0.0 4.58 208 197 A 12 LEU HDx% A 12 LEU H 1.0 0.0 4.37 209 198 A 61 ARG H A 60 PHE HBx 1.0 0.0 5.08 210 199 A 61 ARG H A 60 PHE HBy 1.0 0.0 5.30 211 200 A 61 ARG H A 61 ARG HGx 1.0 0.0 4.90 212 201 A 61 ARG H A 61 ARG HGy 1.0 0.0 5.50 213 202 A 17 LYS H A 30 ASN H 1.0 0.0 5.50 214 203 A 30 ASN H A 29 GLU H 1.0 0.0 5.50 215 204 A 67 ARG H A 68 LYS H 1.0 0.0 4.23 216 205 A 68 LYS H A 67 ARG HA 1.0 0.0 3.52 217 206 A 3 MET HA A 6 VAL H 1.0 0.0 4.88 218 207 A 6 VAL H A 4 SER HA 1.0 0.0 5.07 219 208 A 6 VAL H A 5 ASN HBx 1.0 0.0 5.41 220 209 A 5 ASN HBy A 6 VAL H 1.0 0.0 5.09 221 210 A 3 MET HBx A 6 VAL H 1.0 0.0 5.50 222 211 A 6 VAL H A 6 VAL HB 1.0 0.0 3.21 223 212 A 6 VAL H A 3 MET HE% 1.0 0.0 5.50 224 213 A 6 VAL HGy% A 6 VAL H 1.0 0.0 4.72 225 214 A 6 VAL HGx% A 6 VAL H 1.0 0.0 4.05 226 215 A 30 ASN H A 33 GLY H 1.0 0.0 5.01 227 216 A 30 ASN H A 34 LYS H 1.0 0.0 4.15 228 217 A 30 ASN H A 29 GLU HA 1.0 0.0 3.20 229 218 A 30 ASN H A 30 ASN HBy 1.0 0.0 4.05 230 219 A 30 ASN H A 29 GLU HGx 1.0 0.0 4.72 231 220 A 30 ASN H A 29 GLU HGy 1.0 0.0 4.90 232 221 A 30 ASN H A 36 MET HBx 1.0 0.0 4.70 233 221 A 36 MET HBy A 30 ASN H 1.0 0.0 4.70 234 222 A 30 ASN H A 29 GLU HBx 1.0 0.0 4.73 235 223 A 30 ASN H A 29 GLU HBy 1.0 0.0 4.55 236 224 A 30 ASN H A 31 LYS H 1.0 0.0 5.50 237 225 A 18 VAL H A 29 GLU H 1.0 0.0 5.50 238 226 A 41 GLY H A 40 GLU H 1.0 0.0 4.86 239 227 A 40 GLU H A 39 PRO HA 1.0 0.0 2.82 240 228 A 40 GLU H A 39 PRO HDx 1.0 0.0 5.50 241 229 A 40 GLU H A 39 PRO HBx 1.0 0.0 3.76 242 230 A 40 GLU H A 40 GLU HGy 1.0 0.0 4.55 243 231 A 40 GLU H A 40 GLU HBx 1.0 0.0 3.16 244 232 A 40 GLU H A 39 PRO HBy 1.0 0.0 3.98 245 233 A 64 GLU HGy A 64 GLU H 1.0 0.0 4.48 246 234 A 64 GLU H A 64 GLU HBy 1.0 0.0 3.55 247 235 A 9 THR H A 8 LYS H 1.0 0.0 5.07 248 236 A 9 THR H A 8 LYS HA 1.0 0.0 2.83 249 237 A 9 THR H A 9 THR HB 1.0 0.0 3.22 250 238 A 9 THR H A 8 LYS HEy 1.0 0.0 5.50 251 239 A 9 THR H A 8 LYS HBx 1.0 0.0 4.24 252 240 A 9 THR H A 8 LYS HDx 1.0 0.0 4.23 253 240 A 9 THR H A 8 LYS HDy 1.0 0.0 4.23 254 241 A 9 THR H A 8 LYS HBy 1.0 0.0 4.12 255 242 A 9 THR H A 8 LYS HGy 1.0 0.0 3.79 256 243 A 7 VAL HGx% A 9 THR H 1.0 0.0 5.50 257 244 A 9 THR H A 6 VAL HGy% 1.0 0.0 5.40 258 245 A 7 VAL H A 8 LYS H 1.0 0.0 4.36 259 246 A 20 VAL HB A 8 LYS H 1.0 0.0 4.73 260 247 A 8 LYS H A 7 VAL HGy% 1.0 0.0 5.50 261 248 A 6 VAL HGy% A 8 LYS H 1.0 0.0 4.51 262 249 A 6 VAL HA A 8 LYS H 1.0 0.0 5.50 263 250 A 8 LYS H A 7 VAL HB 1.0 0.0 4.89 264 251 A 7 VAL HGx% A 8 LYS H 1.0 0.0 5.07 265 252 A 17 LYS H A 29 GLU H 1.0 0.0 3.90 266 253 A 28 MET HA A 29 GLU H 1.0 0.0 3.31 267 254 A 18 VAL HA A 29 GLU H 1.0 0.0 4.78 268 255 A 29 GLU H A 16 SER HBx 1.0 0.0 5.50 269 256 A 29 GLU H A 16 SER HBy 1.0 0.0 5.47 270 257 A 29 GLU H A 28 MET HGx 1.0 0.0 5.50 271 258 A 29 GLU H A 28 MET HGy 1.0 0.0 5.50 272 259 A 29 GLU H A 28 MET HBx 1.0 0.0 5.06 273 260 A 29 GLU H A 29 GLU HGx 1.0 0.0 5.50 274 261 A 28 MET HE% A 29 GLU H 1.0 0.0 5.02 275 262 A 29 GLU H A 36 MET HE% 1.0 0.0 4.37 276 263 A 29 GLU H A 29 GLU HBx 1.0 0.0 4.05 277 264 A 29 GLU H A 17 LYS HBx 1.0 0.0 4.55 278 264 A 17 LYS HBy A 29 GLU H 1.0 0.0 4.55 279 265 A 18 VAL HGy% A 29 GLU H 1.0 0.0 5.50 280 266 A 12 LEU HDy% A 29 GLU H 1.0 0.0 5.50 281 267 A 64 GLU H A 63 ASP H 1.0 0.0 3.93 282 268 A 8 LYS H A 20 VAL HGy% 1.0 0.0 5.50 283 269 A 62 LEU H A 63 ASP H 1.0 0.0 3.51 284 270 A 63 ASP H A 62 LEU HA 1.0 0.0 3.45 285 271 A 63 ASP H A 63 ASP HBy 1.0 0.0 3.99 286 272 A 63 ASP H A 62 LEU HDy% 1.0 0.0 4.90 287 273 A 67 ARG H A 67 ARG HBy 1.0 0.0 3.62 288 274 A 67 ARG H A 66 LEU HBx 1.0 0.0 4.27 289 275 A 67 ARG H A 67 ARG HGx 1.0 0.0 4.36 290 276 A 67 ARG H A 66 LEU HDx% 1.0 0.0 5.50 291 277 A 66 LEU H A 67 ARG H 1.0 0.0 3.68 292 278 A 67 ARG H A 64 GLU HA 1.0 0.0 5.06 293 279 A 67 ARG H A 67 ARG HDx 1.0 0.0 5.50 294 279 A 67 ARG H A 67 ARG HDy 1.0 0.0 5.50 295 280 A 67 ARG H A 66 LEU HBy 1.0 0.0 4.26 296 281 A 67 ARG H A 66 LEU HDy% 1.0 0.0 5.50 297 282 A 41 GLY H A 42 LYS H 1.0 0.0 3.74 298 283 A 40 GLU HA A 42 LYS H 1.0 0.0 4.37 299 284 A 42 LYS H A 54 MET HBx 1.0 0.0 3.72 300 285 A 42 LYS H A 42 LYS HBy 1.0 0.0 3.30 301 286 A 42 LYS H A 42 LYS HDx 1.0 0.0 4.96 302 286 A 42 LYS H A 42 LYS HDy 1.0 0.0 4.96 303 287 A 42 LYS H A 42 LYS HGx 1.0 0.0 3.81 304 287 A 42 LYS H A 42 LYS HGy 1.0 0.0 3.81 305 288 A 43 VAL HGy% A 42 LYS H 1.0 0.0 5.50 306 289 A 53 ILE HG21 A 42 LYS H 1.0 0.0 5.04 307 290 A 47 ARG H A 48 ASP HA 1.0 0.0 5.31 308 291 A 46 THR HG2% A 13 GLN H 1.0 0.0 5.50 309 292 A 13 GLN H A 12 LEU HA 1.0 0.0 3.09 310 293 A 13 GLN H A 13 GLN HGy 1.0 0.0 3.97 311 294 A 13 GLN H A 13 GLN HBy 1.0 0.0 3.11 312 295 A 13 GLN H A 12 LEU HDy% 1.0 0.0 4.83 313 296 A 12 LEU HDx% A 13 GLN H 1.0 0.0 4.12 314 297 A 28 MET HE% A 28 MET H 1.0 0.0 5.50 315 298 A 18 VAL HGy% A 28 MET H 1.0 0.0 5.50 316 299 A 28 MET H A 62 LEU HDy% 1.0 0.0 5.41 317 300 A 28 MET H A 27 GLY HAx 1.0 0.0 3.49 318 301 A 28 MET HGx A 28 MET H 1.0 0.0 4.51 319 302 A 28 MET HGy A 28 MET H 1.0 0.0 4.81 320 303 A 28 MET HBx A 28 MET H 1.0 0.0 4.02 321 304 A 28 MET H A 54 MET HE% 1.0 0.0 5.13 322 305 A 28 MET H A 62 LEU HBx 1.0 0.0 5.50 323 306 A 28 MET H A 62 LEU HBy 1.0 0.0 5.50 324 307 A 46 THR H A 47 ARG H 1.0 0.0 5.50 325 308 A 47 ARG H A 13 GLN H 1.0 0.0 5.00 326 309 A 47 ARG H A 46 THR HB 1.0 0.0 2.95 327 310 A 47 ARG H A 46 THR HA 1.0 0.0 3.20 328 311 A 47 ARG H A 47 ARG HDx 1.0 0.0 4.99 329 311 A 47 ARG H A 47 ARG HDy 1.0 0.0 4.99 330 312 A 47 ARG H A 10 TYR HBx 1.0 0.0 4.92 331 313 A 47 ARG H A 11 ASP HBy 1.0 0.0 5.19 332 314 A 47 ARG H A 47 ARG HBx 1.0 0.0 3.60 333 315 A 47 ARG H A 47 ARG HBy 1.0 0.0 3.28 334 316 A 47 ARG H A 47 ARG HGy 1.0 0.0 3.68 335 317 A 46 THR HG2% A 47 ARG H 1.0 0.0 4.34 336 318 A 47 ARG H A 12 LEU HDx% 1.0 0.0 4.70 337 319 A 29 GLU HA A 36 MET H 1.0 0.0 4.23 338 320 A 36 MET H A 35 SER HA 1.0 0.0 3.30 339 321 A 36 MET H A 36 MET HGx 1.0 0.0 4.89 340 322 A 36 MET H A 36 MET HGy 1.0 0.0 4.51 341 323 A 34 LYS H A 30 ASN HD2x 1.0 0.0 5.25 342 324 A 34 LYS H A 32 PHE HBx 1.0 0.0 4.80 343 325 A 34 LYS H A 30 ASN HBy 1.0 0.0 5.50 344 326 A 34 LYS H A 32 PHE HBy 1.0 0.0 4.41 345 327 A 29 GLU HGy A 36 MET H 1.0 0.0 5.42 346 328 A 36 MET H A 36 MET HBx 1.0 0.0 3.49 347 328 A 36 MET HBy A 36 MET H 1.0 0.0 3.49 348 329 A 34 LYS H A 34 LYS HBy 1.0 0.0 3.28 349 330 A 34 LYS H A 34 LYS HDx 1.0 0.0 4.92 350 330 A 34 LYS H A 34 LYS HDy 1.0 0.0 4.92 351 331 A 34 LYS H A 30 ASN HD2y 1.0 0.0 4.86 352 332 A 66 LEU H A 66 LEU HBy 1.0 0.0 4.06 353 333 A 66 LEU H A 65 ALA HB% 1.0 0.0 4.22 354 334 A 66 LEU H A 66 LEU HDy% 1.0 0.0 4.99 355 335 A 66 LEU H A 66 LEU HDx% 1.0 0.0 5.24 356 336 A 66 LEU H A 63 ASP HA 1.0 0.0 5.12 357 337 A 66 LEU H A 64 GLU HA 1.0 0.0 5.50 358 338 A 66 LEU H A 63 ASP HBy 1.0 0.0 5.50 359 339 A 66 LEU H A 66 LEU HBx 1.0 0.0 3.48 360 340 A 50 THR H A 50 THR HG1 1.0 0.0 3.82 361 341 A 48 ASP HA A 50 THR H 1.0 0.0 5.32 362 342 A 50 THR H A 47 ARG HA 1.0 0.0 5.50 363 343 A 50 THR H A 45 GLU HGy 1.0 0.0 5.50 364 344 A 45 GLU HBx A 50 THR H 1.0 0.0 5.50 365 345 A 46 THR H A 50 THR H 1.0 0.0 3.85 366 346 A 45 GLU HA A 50 THR H 1.0 0.0 4.98 367 347 A 46 THR HB A 50 THR H 1.0 0.0 4.50 368 348 A 50 THR HB A 50 THR H 1.0 0.0 3.08 369 349 A 50 THR H A 48 ASP HBx 1.0 0.0 5.11 370 350 A 46 THR HG2% A 50 THR H 1.0 0.0 4.03 371 351 A 51 LYS H A 50 THR H 1.0 0.0 4.80 372 352 A 50 THR H A 48 ASP HBy 1.0 0.0 5.37 373 353 A 3 MET HA A 5 ASN H 1.0 0.0 5.26 374 354 A 6 VAL HB A 5 ASN H 1.0 0.0 4.95 375 355 A 21 PHE H A 25 LYS H 1.0 0.0 4.82 376 356 A 25 LYS H A 23 ASP HA 1.0 0.0 5.49 377 357 A 20 VAL HA A 25 LYS H 1.0 0.0 5.45 378 358 A 21 PHE HBx A 25 LYS H 1.0 0.0 4.65 379 359 A 25 LYS H A 23 ASP HBx 1.0 0.0 4.61 380 360 A 25 LYS H A 23 ASP HBy 1.0 0.0 5.50 381 361 A 25 LYS H A 25 LYS HBx 1.0 0.0 3.34 382 362 A 25 LYS H A 25 LYS HBy 1.0 0.0 3.97 383 363 A 25 LYS H A 25 LYS HDx 1.0 0.0 4.83 384 363 A 25 LYS H A 25 LYS HDy 1.0 0.0 4.83 385 364 A 25 LYS H A 25 LYS HGx 1.0 0.0 3.68 386 365 A 25 LYS H A 25 LYS HGy 1.0 0.0 4.16 387 366 A 25 LYS H A 20 VAL HGx% 1.0 0.0 5.49 388 367 A 34 LYS H A 35 SER H 1.0 0.0 4.66 389 368 A 35 SER H A 34 LYS HA 1.0 0.0 2.87 390 369 A 35 SER H A 34 LYS HBx 1.0 0.0 3.56 391 370 A 34 LYS HBy A 35 SER H 1.0 0.0 4.16 392 371 A 35 SER H A 34 LYS HDx 1.0 0.0 4.62 393 371 A 34 LYS HDy A 35 SER H 1.0 0.0 4.62 394 372 A 35 SER H A 34 LYS HGx 1.0 0.0 5.23 395 373 A 35 SER H A 34 LYS HGy 1.0 0.0 5.08 396 374 A 6 VAL H A 5 ASN H 1.0 0.0 3.66 397 375 A 5 ASN H A 5 ASN HD2x 1.0 0.0 5.50 398 376 A 5 ASN H A 4 SER HBx 1.0 0.0 4.31 399 376 A 4 SER HBy A 5 ASN H 1.0 0.0 4.31 400 377 A 5 ASN HBy A 5 ASN H 1.0 0.0 3.80 401 378 A 6 VAL HGx% A 5 ASN H 1.0 0.0 5.45 402 379 A 3 MET H A 5 ASN H 1.0 0.0 4.46 403 380 A 30 ASN H A 32 PHE H 1.0 0.0 5.50 404 381 A 30 ASN HD2x A 32 PHE H 1.0 0.0 4.52 405 382 A 32 PHE H A 31 LYS HBx 1.0 0.0 4.89 406 383 A 31 LYS H A 32 PHE H 1.0 0.0 3.82 407 384 A 34 LYS H A 32 PHE H 1.0 0.0 4.09 408 385 A 32 PHE H A 32 PHE HD% 1.0 0.0 4.19 409 386 A 32 PHE H A 30 ASN HA 1.0 0.0 4.99 410 387 A 32 PHE H A 33 GLY HAx 1.0 0.0 4.48 411 387 A 32 PHE H A 33 GLY HAy 1.0 0.0 4.48 412 388 A 32 PHE H A 30 ASN HBx 1.0 0.0 3.71 413 389 A 30 ASN HBy A 32 PHE H 1.0 0.0 5.12 414 390 A 32 PHE H A 31 LYS HDx 1.0 0.0 5.27 415 390 A 32 PHE H A 31 LYS HDy 1.0 0.0 5.27 416 391 A 32 PHE H A 31 LYS HBy 1.0 0.0 4.68 417 392 A 32 PHE H A 31 LYS HGx 1.0 0.0 4.33 418 393 A 32 PHE H A 31 LYS HGy 1.0 0.0 4.38 419 394 A 30 ASN HD2y A 32 PHE H 1.0 0.0 5.50 420 395 A 17 LYS H A 31 LYS H 1.0 0.0 5.50 421 396 A 3 MET H A 4 SER H 1.0 0.0 3.47 422 397 A 5 ASN H A 4 SER H 1.0 0.0 3.90 423 398 A 2 ASP HA A 4 SER H 1.0 0.0 4.59 424 399 A 4 SER H A 4 SER HBx 1.0 0.0 3.28 425 399 A 4 SER HBy A 4 SER H 1.0 0.0 3.28 426 400 A 2 ASP HBx A 4 SER H 1.0 0.0 5.00 427 401 A 4 SER H A 2 ASP HBy 1.0 0.0 5.33 428 402 A 3 MET HBx A 4 SER H 1.0 0.0 4.99 429 403 A 3 MET HBy A 4 SER H 1.0 0.0 4.62 430 404 A 6 VAL H A 4 SER H 1.0 0.0 5.25 431 405 A 3 MET HGy A 4 SER H 1.0 0.0 5.50 432 406 A 28 MET HA A 17 LYS H 1.0 0.0 5.41 433 407 A 17 LYS H A 30 ASN HA 1.0 0.0 4.83 434 408 A 17 LYS H A 16 SER HA 1.0 0.0 3.32 435 409 A 17 LYS H A 16 SER HBx 1.0 0.0 3.51 436 410 A 17 LYS H A 16 SER HBy 1.0 0.0 3.62 437 411 A 28 MET HE% A 17 LYS H 1.0 0.0 5.50 438 412 A 17 LYS H A 12 LEU HBx 1.0 0.0 4.68 439 413 A 17 LYS H A 29 GLU HBy 1.0 0.0 5.49 440 414 A 17 LYS H A 17 LYS HGx 1.0 0.0 5.50 441 415 A 17 LYS H A 17 LYS HBx 1.0 0.0 3.58 442 415 A 17 LYS H A 17 LYS HBy 1.0 0.0 3.58 443 416 A 17 LYS H A 12 LEU HDy% 1.0 0.0 5.42 444 417 A 18 VAL H A 10 TYR H 1.0 0.0 4.18 445 418 A 33 GLY H A 31 LYS H 1.0 0.0 5.02 446 419 A 31 LYS H A 30 ASN HD2y 1.0 0.0 5.16 447 420 A 31 LYS H A 30 ASN HA 1.0 0.0 3.39 448 421 A 31 LYS H A 16 SER HA 1.0 0.0 4.63 449 422 A 31 LYS H A 16 SER HBy 1.0 0.0 4.57 450 423 A 31 LYS H A 30 ASN HBx 1.0 0.0 3.24 451 424 A 30 ASN HBy A 31 LYS H 1.0 0.0 3.75 452 425 A 31 LYS H A 31 LYS HBx 1.0 0.0 3.81 453 426 A 31 LYS H A 31 LYS HDx 1.0 0.0 4.68 454 426 A 31 LYS H A 31 LYS HDy 1.0 0.0 4.68 455 427 A 31 LYS H A 31 LYS HBy 1.0 0.0 3.27 456 428 A 31 LYS H A 31 LYS HGx 1.0 0.0 3.58 457 429 A 31 LYS H A 31 LYS HGy 1.0 0.0 4.41 458 430 A 18 VAL H A 10 TYR HD% 1.0 0.0 5.50 459 431 A 18 VAL H A 17 LYS HA 1.0 0.0 3.16 460 432 A 18 VAL H A 10 TYR HBy 1.0 0.0 4.48 461 433 A 18 VAL H A 18 VAL HB 1.0 0.0 4.09 462 434 A 18 VAL H A 18 VAL HGx% 1.0 0.0 3.66 463 435 A 18 VAL H A 9 THR HG2% 1.0 0.0 4.22 464 436 A 18 VAL H A 12 LEU HDx% 1.0 0.0 5.11 465 437 A 45 GLU H A 46 THR H 1.0 0.0 4.78 466 438 A 46 THR H A 13 GLN H 1.0 0.0 5.50 467 439 A 46 THR H A 50 THR HG1 1.0 0.0 5.02 468 440 A 45 GLU HA A 46 THR H 1.0 0.0 2.69 469 441 A 51 LYS HA A 46 THR H 1.0 0.0 3.99 470 442 A 50 THR HB A 46 THR H 1.0 0.0 4.52 471 443 A 50 THR HA A 46 THR H 1.0 0.0 5.50 472 444 A 46 THR H A 49 GLY HAy 1.0 0.0 5.26 473 445 A 46 THR H A 45 GLU HGx 1.0 0.0 4.27 474 446 A 46 THR H A 45 GLU HGy 1.0 0.0 4.23 475 447 A 46 THR H A 45 GLU HBx 1.0 0.0 4.23 476 448 A 46 THR H A 45 GLU HBy 1.0 0.0 4.44 477 449 A 52 ILE HB A 46 THR H 1.0 0.0 5.42 478 450 A 46 THR HG2% A 46 THR H 1.0 0.0 3.24 479 451 A 46 THR H A 12 LEU HDx% 1.0 0.0 4.66 480 452 A 52 ILE HD1% A 46 THR H 1.0 0.0 5.50 481 453 A 57 ASN H A 58 GLU H 1.0 0.0 4.90 482 454 A 58 GLU H A 57 ASN HD2y 1.0 0.0 5.50 483 455 A 58 GLU H A 59 ILE HA 1.0 0.0 4.44 484 456 A 58 GLU H A 57 ASN HBx 1.0 0.0 4.72 485 457 A 58 GLU H A 57 ASN HBy 1.0 0.0 4.83 486 458 A 59 ILE HB A 58 GLU H 1.0 0.0 5.50 487 459 A 31 LYS H A 16 SER H 1.0 0.0 5.50 488 460 A 25 LYS H A 26 MET H 1.0 0.0 5.46 489 461 A 26 MET H A 21 PHE HE% 1.0 0.0 5.50 490 462 A 20 VAL HA A 26 MET H 1.0 0.0 5.00 491 463 A 26 MET H A 25 LYS HA 1.0 0.0 3.21 492 464 A 26 MET HGx A 26 MET H 1.0 0.0 4.19 493 465 A 26 MET HGy A 26 MET H 1.0 0.0 4.61 494 466 A 54 MET HE% A 26 MET H 1.0 0.0 5.39 495 467 A 25 LYS HBx A 26 MET H 1.0 0.0 4.18 496 468 A 25 LYS HBy A 26 MET H 1.0 0.0 3.15 497 469 A 26 MET H A 25 LYS HDx 1.0 0.0 5.50 498 469 A 25 LYS HDy A 26 MET H 1.0 0.0 5.50 499 470 A 25 LYS HGy A 26 MET H 1.0 0.0 5.32 500 471 A 18 VAL HGy% A 26 MET H 1.0 0.0 5.50 501 472 A 17 LYS H A 16 SER H 1.0 0.0 4.96 502 473 A 12 LEU H A 16 SER H 1.0 0.0 4.78 503 474 A 16 SER HBx A 16 SER H 1.0 0.0 3.70 504 475 A 16 SER HBy A 16 SER H 1.0 0.0 3.63 505 476 A 12 LEU HDy% A 16 SER H 1.0 0.0 4.81 506 477 A 13 GLN H A 14 ASP H 1.0 0.0 3.67 507 478 A 14 ASP H A 15 GLY H 1.0 0.0 2.51 508 479 A 14 ASP H A 14 ASP HBx 1.0 0.0 4.00 509 480 A 14 ASP H A 14 ASP HBy 1.0 0.0 3.64 510 481 A 14 ASP H A 13 GLN HGx 1.0 0.0 5.32 511 482 A 13 GLN HGy A 14 ASP H 1.0 0.0 5.22 512 483 A 14 ASP H A 13 GLN HBx 1.0 0.0 3.90 513 484 A 12 LEU HBx A 16 SER H 1.0 0.0 3.61 514 485 A 12 LEU HBy A 14 ASP H 1.0 0.0 3.62 515 486 A 12 LEU HDx% A 14 ASP H 1.0 0.0 5.39 516 487 A 22 LYS H A 23 ASP H 1.0 0.0 3.83 517 488 A 25 LYS H A 23 ASP H 1.0 0.0 4.41 518 489 A 21 PHE HD% A 23 ASP H 1.0 0.0 5.46 519 490 A 23 ASP H A 21 PHE HA 1.0 0.0 5.05 520 491 A 23 ASP H A 24 GLY HAy 1.0 0.0 5.13 521 492 A 21 PHE HBx A 23 ASP H 1.0 0.0 3.75 522 493 A 23 ASP HBx A 23 ASP H 1.0 0.0 3.63 523 494 A 23 ASP HBy A 23 ASP H 1.0 0.0 3.63 524 495 A 23 ASP H A 22 LYS HBx 1.0 0.0 3.62 525 495 A 22 LYS HBy A 23 ASP H 1.0 0.0 3.62 526 496 A 23 ASP H A 22 LYS HGy 1.0 0.0 5.25 527 497 A 23 ASP H A 20 VAL HGx% 1.0 0.0 5.50 528 498 A 46 THR HG2% A 48 ASP H 1.0 0.0 4.95 529 499 A 47 ARG H A 48 ASP H 1.0 0.0 3.74 530 500 A 50 THR HG1 A 48 ASP H 1.0 0.0 3.81 531 501 A 46 THR HB A 48 ASP H 1.0 0.0 3.66 532 502 A 49 GLY HAy A 48 ASP H 1.0 0.0 5.34 533 503 A 48 ASP HBx A 48 ASP H 1.0 0.0 4.15 534 504 A 48 ASP HBy A 48 ASP H 1.0 0.0 3.95 535 505 A 47 ARG HBx A 48 ASP H 1.0 0.0 4.29 536 506 A 47 ARG HBy A 48 ASP H 1.0 0.0 4.27 537 507 A 48 ASP H A 47 ARG HGy 1.0 0.0 5.17 538 508 A 36 MET HA A 37 ASN HD2y 1.0 0.0 3.51 539 509 A 36 MET HA A 37 ASN HD2x 1.0 0.0 3.71 540 510 A 37 ASN HA A 37 ASN HD2x 1.0 0.0 5.50 541 511 A 5 ASN H A 5 ASN HD2y 1.0 0.0 5.50 542 512 A 5 ASN HA A 5 ASN HD2y 1.0 0.0 5.43 543 513 A 5 ASN HBy A 5 ASN HD2y 1.0 0.0 3.87 544 514 A 5 ASN HA A 5 ASN HD2x 1.0 0.0 5.50 545 515 A 30 ASN HD2y A 30 ASN HA 1.0 0.0 5.50 546 516 A 30 ASN HD2y A 32 PHE HD% 1.0 0.0 5.01 547 517 A 30 ASN HD2y A 34 LYS HBx 1.0 0.0 4.98 548 518 A 34 LYS HBy A 30 ASN HD2y 1.0 0.0 4.75 549 519 A 58 GLU HA A 57 ASN HD2y 1.0 0.0 5.27 550 520 A 57 ASN HA A 57 ASN HD2y 1.0 0.0 5.50 551 521 A 30 ASN HD2x A 32 PHE HD% 1.0 0.0 4.29 552 522 A 30 ASN HD2x A 32 PHE HBx 1.0 0.0 4.60 553 523 A 30 ASN HD2x A 32 PHE HBy 1.0 0.0 5.15 554 524 A 30 ASN HD2x A 34 LYS HBx 1.0 0.0 4.53 555 525 A 30 ASN HD2x A 34 LYS HBy 1.0 0.0 4.00 556 526 A 30 ASN HD2x A 34 LYS HDx 1.0 0.0 5.50 557 526 A 30 ASN HD2x A 34 LYS HDy 1.0 0.0 5.50 558 527 A 30 ASN HD2x A 34 LYS HGx 1.0 0.0 5.50 559 528 A 30 ASN HD2x A 34 LYS HGy 1.0 0.0 5.50 560 529 A 53 ILE HG21 A 57 ASN HD2x 1.0 0.0 5.50 561 530 A 41 GLY H A 42 LYS HGx 1.0 0.0 5.50 562 530 A 41 GLY H A 42 LYS HGy 1.0 0.0 5.50 563 531 A 41 GLY H A 54 MET HA 1.0 0.0 5.18 564 532 A 40 GLU HA A 41 GLY H 1.0 0.0 2.97 565 533 A 41 GLY H A 54 MET HBx 1.0 0.0 4.01 566 534 A 41 GLY H A 40 GLU HGx 1.0 0.0 5.22 567 535 A 41 GLY H A 40 GLU HGy 1.0 0.0 4.75 568 536 A 41 GLY H A 40 GLU HBx 1.0 0.0 4.48 569 537 A 41 GLY H A 40 GLU HBy 1.0 0.0 4.40 570 538 A 41 GLY H A 54 MET HBy 1.0 0.0 4.46 571 539 A 41 GLY H A 53 ILE HG21 1.0 0.0 4.13 572 540 A 13 GLN HE2y A 49 GLY H 1.0 0.0 5.12 573 541 A 47 ARG HA A 13 GLN HE2y 1.0 0.0 5.25 574 542 A 49 GLY HAy A 13 GLN HE2y 1.0 0.0 5.50 575 543 A 47 ARG HA A 13 GLN HE2x 1.0 0.0 5.50 576 544 A 13 GLN HBy A 13 GLN HE2y 1.0 0.0 5.47 577 545 A 13 GLN H A 13 GLN HE2y 1.0 0.0 5.50 578 546 A 73 GLY H A 74 GLY H 1.0 0.0 5.50 579 547 A 21 PHE H A 24 GLY H 1.0 0.0 5.11 580 548 A 23 ASP H A 24 GLY H 1.0 0.0 3.34 581 549 A 25 LYS H A 24 GLY H 1.0 0.0 3.52 582 550 A 25 LYS HA A 24 GLY H 1.0 0.0 5.34 583 551 A 24 GLY H A 22 LYS HA 1.0 0.0 4.33 584 552 A 21 PHE HBx A 24 GLY H 1.0 0.0 5.05 585 553 A 23 ASP HBx A 24 GLY H 1.0 0.0 4.51 586 554 A 23 ASP HBy A 24 GLY H 1.0 0.0 5.34 587 555 A 25 LYS HBx A 24 GLY H 1.0 0.0 5.49 588 556 A 24 GLY H A 22 LYS HBx 1.0 0.0 5.42 589 556 A 22 LYS HBy A 24 GLY H 1.0 0.0 5.42 590 557 A 22 LYS H A 24 GLY H 1.0 0.0 5.36 591 558 A 33 GLY H A 29 GLU HGy 1.0 0.0 5.38 592 559 A 33 GLY H A 34 LYS HBy 1.0 0.0 5.29 593 560 A 33 GLY H A 34 LYS H 1.0 0.0 3.25 594 561 A 33 GLY H A 32 PHE H 1.0 0.0 3.14 595 562 A 33 GLY H A 34 LYS HA 1.0 0.0 5.27 596 563 A 33 GLY H A 33 GLY HAx 1.0 0.0 2.89 597 563 A 33 GLY H A 33 GLY HAy 1.0 0.0 2.89 598 564 A 33 GLY H A 32 PHE HBx 1.0 0.0 4.78 599 565 A 33 GLY H A 29 GLU HGx 1.0 0.0 4.84 600 566 A 12 LEU HDx% A 15 GLY H 1.0 0.0 5.50 601 567 A 33 GLY H A 29 GLU HBx 1.0 0.0 5.50 602 568 A 33 GLY H A 31 LYS HDx 1.0 0.0 5.43 603 568 A 33 GLY H A 31 LYS HDy 1.0 0.0 5.43 604 569 A 33 GLY H A 30 ASN HD2y 1.0 0.0 5.27 605 570 A 33 GLY H A 32 PHE HD% 1.0 0.0 5.50 606 571 A 33 GLY H A 32 PHE HBy 1.0 0.0 4.64 607 572 A 33 GLY H A 34 LYS HBx 1.0 0.0 5.50 608 573 A 33 GLY H A 31 LYS HGx 1.0 0.0 5.50 609 574 A 12 LEU H A 15 GLY H 1.0 0.0 4.91 610 575 A 13 GLN H A 15 GLY H 1.0 0.0 5.05 611 576 A 12 LEU HA A 15 GLY H 1.0 0.0 5.03 612 577 A 16 SER HA A 15 GLY H 1.0 0.0 5.23 613 578 A 15 GLY H A 13 GLN HA 1.0 0.0 4.25 614 579 A 15 GLY H A 14 ASP HBx 1.0 0.0 5.24 615 580 A 15 GLY H A 14 ASP HBy 1.0 0.0 5.20 616 581 A 15 GLY H A 13 GLN HBx 1.0 0.0 5.50 617 582 A 12 LEU HBx A 15 GLY H 1.0 0.0 4.51 618 583 A 12 LEU HBy A 15 GLY H 1.0 0.0 4.62 619 584 A 46 THR H A 49 GLY H 1.0 0.0 4.61 620 585 A 47 ARG H A 49 GLY H 1.0 0.0 4.94 621 586 A 50 THR HG1 A 49 GLY H 1.0 0.0 4.73 622 587 A 46 THR HB A 49 GLY H 1.0 0.0 4.67 623 588 A 50 THR HA A 49 GLY H 1.0 0.0 5.50 624 589 A 47 ARG HA A 49 GLY H 1.0 0.0 4.31 625 590 A 48 ASP HBx A 49 GLY H 1.0 0.0 4.83 626 591 A 48 ASP HBy A 49 GLY H 1.0 0.0 5.12 627 592 A 45 GLU HGx A 49 GLY H 1.0 0.0 4.75 628 593 A 45 GLU HGy A 49 GLY H 1.0 0.0 5.35 629 594 A 47 ARG HBx A 49 GLY H 1.0 0.0 5.31 630 595 A 46 THR HG2% A 49 GLY H 1.0 0.0 5.19 631 596 A 19 HIS H A 27 GLY H 1.0 0.0 3.74 632 597 A 26 MET H A 27 GLY H 1.0 0.0 5.50 633 598 A 21 PHE HE% A 27 GLY H 1.0 0.0 4.92 634 599 A 26 MET HA A 27 GLY H 1.0 0.0 3.33 635 600 A 20 VAL HA A 27 GLY H 1.0 0.0 4.89 636 601 A 26 MET HGy A 27 GLY H 1.0 0.0 5.05 637 602 A 19 HIS HBx A 27 GLY H 1.0 0.0 4.49 638 603 A 19 HIS HBy A 27 GLY H 1.0 0.0 5.50 639 604 A 27 GLY H A 26 MET HBx 1.0 0.0 3.98 640 604 A 27 GLY H A 26 MET HBy 1.0 0.0 3.98 641 605 A 27 GLY H A 20 VAL HGy% 1.0 0.0 5.50 642 606 A 18 VAL HGx% A 27 GLY H 1.0 0.0 5.50 643 607 A 18 VAL HGy% A 27 GLY H 1.0 0.0 4.40 644 608 A 27 GLY H A 62 LEU HDy% 1.0 0.0 5.50 645 609 A 26 MET HGx A 27 GLY H 1.0 0.0 5.50 646 610 A 65 ALA HB% A 66 LEU HG 1.0 0.0 4.47 647 611 A 65 ALA HB% A 66 LEU HDx% 1.0 0.0 4.75 648 611 A 65 ALA HB% A 66 LEU HDy% 1.0 0.0 4.75 649 612 A 10 TYR HD% A 26 MET HE% 1.0 0.0 5.50 650 613 A 26 MET HE% A 10 TYR HE% 1.0 0.0 4.98 651 614 A 58 GLU HA A 26 MET HE% 1.0 0.0 4.84 652 615 A 20 VAL HA A 26 MET HE% 1.0 0.0 5.00 653 616 A 54 MET HA A 26 MET HE% 1.0 0.0 4.18 654 617 A 26 MET HGx A 26 MET HE% 1.0 0.0 3.11 655 618 A 54 MET HE% A 26 MET HE% 1.0 0.0 4.76 656 619 A 26 MET HE% A 58 GLU HGy 1.0 0.0 3.30 657 620 A 26 MET HE% A 58 GLU HBx 1.0 0.0 3.65 658 621 A 26 MET HE% A 58 GLU HBy 1.0 0.0 3.72 659 622 A 18 VAL HGy% A 26 MET HE% 1.0 0.0 4.48 660 623 A 52 ILE HG21 A 26 MET HE% 1.0 0.0 3.08 661 624 A 52 ILE HD1% A 26 MET HE% 1.0 0.0 4.52 662 625 A 53 ILE HG21 A 41 GLY HAy 1.0 0.0 3.48 663 626 A 60 PHE HBy A 59 ILE HG21 1.0 0.0 5.50 664 627 A 53 ILE HG21 A 54 MET HBy 1.0 0.0 4.97 665 628 A 53 ILE HG12 A 53 ILE HG21 1.0 0.0 3.91 666 629 A 53 ILE HG13 A 53 ILE HG21 1.0 0.0 3.70 667 630 A 59 ILE HG21 A 59 ILE HA 1.0 0.0 3.95 668 631 A 28 MET HA A 36 MET HE% 1.0 0.0 5.46 669 632 A 36 MET HE% A 30 ASN HA 1.0 0.0 4.52 670 633 A 36 MET HE% A 16 SER HA 1.0 0.0 5.38 671 634 A 16 SER HBx A 36 MET HE% 1.0 0.0 4.19 672 635 A 16 SER HBy A 36 MET HE% 1.0 0.0 4.05 673 636 A 36 MET HE% A 30 ASN HBx 1.0 0.0 4.25 674 637 A 30 ASN HBy A 36 MET HE% 1.0 0.0 4.03 675 638 A 36 MET HE% A 36 MET HGx 1.0 0.0 3.47 676 639 A 36 MET HE% A 38 MET HE% 1.0 0.0 3.40 677 640 A 28 MET HE% A 36 MET HE% 1.0 0.0 2.71 678 641 A 36 MET HE% A 36 MET HBx 1.0 0.0 2.50 679 641 A 36 MET HBy A 36 MET HE% 1.0 0.0 2.50 680 642 A 29 GLU HBy A 36 MET HE% 1.0 0.0 4.52 681 643 A 36 MET HE% A 38 MET HBy 1.0 0.0 4.99 682 644 A 52 ILE HG21 A 10 TYR HD% 1.0 0.0 5.50 683 645 A 52 ILE HG21 A 10 TYR HE% 1.0 0.0 5.50 684 646 A 52 ILE HG21 A 53 ILE HA 1.0 0.0 5.50 685 647 A 52 ILE HG21 A 18 VAL HGx% 1.0 0.0 4.22 686 648 A 52 ILE HG21 A 52 ILE HG13 1.0 0.0 2.46 687 649 A 16 SER HBx A 30 ASN HA 1.0 0.0 4.37 688 650 A 12 LEU HBx A 16 SER HBx 1.0 0.0 4.78 689 651 A 12 LEU HBy A 16 SER HBx 1.0 0.0 5.04 690 652 A 12 LEU HDy% A 16 SER HBx 1.0 0.0 4.69 691 653 A 16 SER HBy A 30 ASN HBx 1.0 0.0 5.50 692 654 A 16 SER HBy A 17 LYS HBx 1.0 0.0 5.44 693 654 A 17 LYS HBy A 16 SER HBy 1.0 0.0 5.44 694 655 A 12 LEU HBx A 16 SER HBy 1.0 0.0 5.27 695 656 A 16 SER HBy A 12 LEU HG 1.0 0.0 5.50 696 657 A 3 MET HA A 3 MET HE% 1.0 0.0 4.20 697 658 A 3 MET HGx A 3 MET HE% 1.0 0.0 3.65 698 659 A 3 MET HGy A 3 MET HE% 1.0 0.0 4.17 699 660 A 6 VAL HB A 3 MET HE% 1.0 0.0 2.46 700 661 A 3 MET HE% A 1 VAL HGy% 1.0 0.0 4.64 701 661 A 3 MET HE% A 1 VAL HGx% 1.0 0.0 4.64 702 662 A 6 VAL HGy% A 3 MET HE% 1.0 0.0 4.16 703 663 A 6 VAL HGx% A 3 MET HE% 1.0 0.0 4.44 704 664 A 72 GLU HA A 71 SER HBx 1.0 0.0 5.10 705 664 A 71 SER HBy A 72 GLU HA 1.0 0.0 5.10 706 665 A 43 VAL HA A 42 LYS HA 1.0 0.0 4.51 707 666 A 43 VAL HA A 42 LYS HBx 1.0 0.0 4.90 708 667 A 43 VAL HA A 44 MET HGx 1.0 0.0 4.52 709 667 A 43 VAL HA A 44 MET HGy 1.0 0.0 4.52 710 668 A 43 VAL HA A 44 MET HBx 1.0 0.0 5.24 711 669 A 43 VAL HA A 53 ILE HG13 1.0 0.0 4.70 712 670 A 43 VAL HA A 43 VAL HGx% 1.0 0.0 3.38 713 671 A 50 THR HA A 51 LYS HA 1.0 0.0 5.47 714 672 A 50 THR HA A 49 GLY HAy 1.0 0.0 5.50 715 673 A 50 THR HA A 51 LYS HBx 1.0 0.0 4.59 716 674 A 50 THR HA A 51 LYS HGy 1.0 0.0 5.41 717 675 A 50 THR HA A 50 THR HG2% 1.0 0.0 3.42 718 676 A 21 PHE HD% A 6 VAL HA 1.0 0.0 5.00 719 677 A 6 VAL HA A 6 VAL HGx% 1.0 0.0 4.19 720 678 A 3 MET HA A 4 SER HBx 1.0 0.0 5.30 721 678 A 4 SER HBy A 3 MET HA 1.0 0.0 5.30 722 679 A 3 MET HBy A 4 SER HBx 1.0 0.0 5.50 723 679 A 3 MET HBy A 4 SER HBy 1.0 0.0 5.50 724 680 A 1 VAL HGy% A 4 SER HBx 1.0 0.0 5.50 725 680 A 1 VAL HGx% A 4 SER HBx 1.0 0.0 5.50 726 680 A 4 SER HBy A 1 VAL HGy% 1.0 0.0 5.50 727 680 A 4 SER HBy A 1 VAL HGx% 1.0 0.0 5.50 728 681 A 6 VAL HA A 7 VAL HA 1.0 0.0 5.50 729 682 A 7 VAL HA A 22 LYS HGy 1.0 0.0 5.50 730 683 A 7 VAL HGy% A 7 VAL HA 1.0 0.0 3.55 731 684 A 10 TYR HD% A 9 THR HA 1.0 0.0 4.92 732 685 A 9 THR HA A 10 TYR HA 1.0 0.0 5.06 733 686 A 9 THR HA A 9 THR HG2% 1.0 0.0 3.71 734 687 A 20 VAL HA A 21 PHE HD% 1.0 0.0 4.71 735 688 A 20 VAL HA A 19 HIS HA 1.0 0.0 5.50 736 689 A 20 VAL HA A 26 MET HGy 1.0 0.0 3.96 737 690 A 20 VAL HA A 20 VAL HGx% 1.0 0.0 3.32 738 691 A 20 VAL HA A 26 MET HBx 1.0 0.0 5.22 739 691 A 20 VAL HA A 26 MET HBy 1.0 0.0 5.22 740 692 A 59 ILE HA A 60 PHE HA 1.0 0.0 5.12 741 693 A 4 SER HA A 4 SER HBx 1.0 0.0 2.91 742 693 A 4 SER HBy A 4 SER HA 1.0 0.0 2.91 743 694 A 3 MET HA A 4 SER HA 1.0 0.0 4.84 744 695 A 3 MET HBy A 4 SER HA 1.0 0.0 5.48 745 696 A 2 ASP HA A 1 VAL HA 1.0 0.0 5.42 746 697 A 2 ASP HBx A 1 VAL HA 1.0 0.0 5.50 747 698 A 1 VAL HA A 1 VAL HGy% 1.0 0.0 3.47 748 698 A 1 VAL HGx% A 1 VAL HA 1.0 0.0 3.47 749 699 A 53 ILE HA A 54 MET HBx 1.0 0.0 4.76 750 700 A 44 MET HE% A 53 ILE HA 1.0 0.0 4.89 751 701 A 53 ILE HG12 A 53 ILE HA 1.0 0.0 4.13 752 702 A 53 ILE HG13 A 53 ILE HA 1.0 0.0 3.97 753 703 A 53 ILE HA A 43 VAL HGy% 1.0 0.0 4.65 754 704 A 53 ILE HA A 53 ILE HG21 1.0 0.0 3.41 755 705 A 53 ILE HA A 41 GLY HAy 1.0 0.0 5.50 756 706 A 53 ILE HD1% A 52 ILE HG21 1.0 0.0 4.31 757 707 A 52 ILE HD1% A 10 TYR HE% 1.0 0.0 5.02 758 708 A 52 ILE HD1% A 46 THR HA 1.0 0.0 5.50 759 709 A 52 ILE HA A 52 ILE HD1% 1.0 0.0 4.59 760 710 A 52 ILE HD1% A 10 TYR HBy 1.0 0.0 4.62 761 711 A 52 ILE HB A 52 ILE HD1% 1.0 0.0 4.09 762 712 A 52 ILE HD1% A 46 THR HG2% 1.0 0.0 3.69 763 713 A 52 ILE HG21 A 52 ILE HD1% 1.0 0.0 3.65 764 714 A 53 ILE HB A 53 ILE HD1% 1.0 0.0 3.73 765 715 A 59 ILE HG21 A 59 ILE HD1% 1.0 0.0 2.60 766 716 A 52 ILE HD1% A 10 TYR HD% 1.0 0.0 4.67 767 717 A 53 ILE HD1% A 43 VAL HGy% 1.0 0.0 5.19 768 718 A 53 ILE HD1% A 53 ILE HA 1.0 0.0 4.24 769 719 A 52 ILE HB A 53 ILE HD1% 1.0 0.0 5.50 770 720 A 21 PHE HBx A 22 LYS HA 1.0 0.0 5.21 771 721 A 21 PHE HBy A 22 LYS HA 1.0 0.0 5.50 772 722 A 22 LYS HA A 22 LYS HEx 1.0 0.0 5.50 773 722 A 22 LYS HA A 22 LYS HEy 1.0 0.0 5.50 774 723 A 22 LYS HA A 22 LYS HBx 1.0 0.0 2.88 775 723 A 22 LYS HBy A 22 LYS HA 1.0 0.0 2.88 776 724 A 22 LYS HA A 22 LYS HDx 1.0 0.0 4.46 777 724 A 22 LYS HA A 22 LYS HDy 1.0 0.0 4.46 778 725 A 22 LYS HA A 22 LYS HGy 1.0 0.0 3.59 779 726 A 7 VAL HGx% A 22 LYS HA 1.0 0.0 3.43 780 727 A 52 ILE HA A 44 MET HE% 1.0 0.0 5.29 781 728 A 52 ILE HA A 53 ILE HB 1.0 0.0 4.93 782 729 A 52 ILE HA A 51 LYS HBy 1.0 0.0 4.54 783 730 A 52 ILE HA A 50 THR HG2% 1.0 0.0 5.37 784 731 A 52 ILE HA A 52 ILE HG21 1.0 0.0 3.58 785 732 A 52 ILE HA A 51 LYS HA 1.0 0.0 5.13 786 733 A 46 THR HA A 47 ARG HA 1.0 0.0 4.87 787 734 A 13 GLN HGy A 47 ARG HA 1.0 0.0 4.05 788 735 A 47 ARG HA A 47 ARG HGy 1.0 0.0 3.40 789 735 A 47 ARG HA A 47 ARG HGx 1.0 0.0 3.40 790 736 A 13 GLN HA A 47 ARG HDx 1.0 0.0 4.35 791 736 A 47 ARG HDy A 13 GLN HA 1.0 0.0 4.35 792 737 A 18 VAL HA A 27 GLY HAy 1.0 0.0 5.50 793 738 A 18 VAL HA A 12 LEU HDy% 1.0 0.0 5.50 794 739 A 17 LYS HA A 16 SER HA 1.0 0.0 5.22 795 740 A 30 ASN HA A 16 SER HA 1.0 0.0 3.72 796 741 A 16 SER HA A 15 GLY HAy 1.0 0.0 5.05 797 742 A 30 ASN HBx A 16 SER HA 1.0 0.0 5.50 798 743 A 12 LEU HBx A 16 SER HA 1.0 0.0 5.45 799 744 A 16 SER HA A 17 LYS HBx 1.0 0.0 4.23 800 744 A 17 LYS HBy A 16 SER HA 1.0 0.0 4.23 801 745 A 12 LEU HDy% A 16 SER HA 1.0 0.0 5.41 802 746 A 12 LEU HA A 13 GLN HA 1.0 0.0 4.35 803 747 A 13 GLN HGy A 13 GLN HA 1.0 0.0 3.81 804 748 A 13 GLN HBx A 13 GLN HA 1.0 0.0 2.97 805 749 A 70 HIS HA A 71 SER HA 1.0 0.0 4.74 806 750 A 32 PHE HD% A 31 LYS HA 1.0 0.0 5.50 807 751 A 60 PHE HD% A 60 PHE HA 1.0 0.0 4.18 808 752 A 59 ILE HG21 A 60 PHE HA 1.0 0.0 5.38 809 753 A 13 GLN HA A 15 GLY HAy 1.0 0.0 5.32 810 754 A 30 ASN HBx A 31 LYS HA 1.0 0.0 5.31 811 755 A 31 LYS HA A 31 LYS HEx 1.0 0.0 5.44 812 755 A 31 LYS HA A 31 LYS HEy 1.0 0.0 5.44 813 756 A 31 LYS HBx A 31 LYS HA 1.0 0.0 2.86 814 757 A 31 LYS HA A 31 LYS HDx 1.0 0.0 4.03 815 757 A 31 LYS HDy A 31 LYS HA 1.0 0.0 4.03 816 758 A 31 LYS HBy A 31 LYS HA 1.0 0.0 2.96 817 759 A 31 LYS HGx A 31 LYS HA 1.0 0.0 4.20 818 760 A 31 LYS HGy A 31 LYS HA 1.0 0.0 4.24 819 761 A 21 PHE HD% A 21 PHE HA 1.0 0.0 4.46 820 762 A 6 VAL HA A 21 PHE HA 1.0 0.0 3.65 821 763 A 6 VAL HGx% A 21 PHE HA 1.0 0.0 5.50 822 764 A 65 ALA HB% A 64 GLU HA 1.0 0.0 5.50 823 765 A 64 GLU HA A 67 ARG HDx 1.0 0.0 4.93 824 765 A 64 GLU HA A 67 ARG HDy 1.0 0.0 4.93 825 766 A 64 GLU HA A 63 ASP HBy 1.0 0.0 5.28 826 766 A 64 GLU HA A 63 ASP HBx 1.0 0.0 5.28 827 767 A 64 GLU HA A 64 GLU HGx 1.0 0.0 3.80 828 768 A 67 ARG HGx A 64 GLU HA 1.0 0.0 4.69 829 769 A 63 ASP HA A 64 GLU HA 1.0 0.0 5.36 830 770 A 40 GLU HA A 41 GLY HAy 1.0 0.0 4.77 831 771 A 40 GLU HA A 54 MET HGx 1.0 0.0 4.42 832 772 A 40 GLU HA A 54 MET HBy 1.0 0.0 4.32 833 773 A 40 GLU HA A 53 ILE HG21 1.0 0.0 5.40 834 774 A 54 MET HA A 58 GLU HBy 1.0 0.0 3.81 835 775 A 25 LYS HA A 24 GLY HAy 1.0 0.0 5.50 836 776 A 26 MET HGx A 25 LYS HA 1.0 0.0 4.54 837 777 A 25 LYS HA A 25 LYS HDx 1.0 0.0 3.96 838 777 A 25 LYS HDy A 25 LYS HA 1.0 0.0 3.96 839 778 A 25 LYS HGx A 25 LYS HA 1.0 0.0 3.97 840 779 A 25 LYS HGy A 25 LYS HA 1.0 0.0 3.65 841 780 A 52 ILE HG21 A 54 MET HA 1.0 0.0 5.50 842 781 A 62 LEU HA A 62 LEU HDy% 1.0 0.0 3.46 843 782 A 62 LEU HA A 62 LEU HBy 1.0 0.0 2.86 844 783 A 9 THR HB A 8 LYS HA 1.0 0.0 4.47 845 784 A 8 LYS HA A 8 LYS HGy 1.0 0.0 3.77 846 785 A 6 VAL HGy% A 8 LYS HA 1.0 0.0 4.75 847 786 A 42 LYS HA A 42 LYS HGx 1.0 0.0 3.59 848 786 A 42 LYS HA A 42 LYS HGy 1.0 0.0 3.59 849 787 A 9 THR HA A 8 LYS HA 1.0 0.0 5.39 850 788 A 63 ASP HA A 66 LEU HDx% 1.0 0.0 4.66 851 788 A 63 ASP HA A 66 LEU HDy% 1.0 0.0 4.66 852 789 A 26 MET HA A 21 PHE HE% 1.0 0.0 4.58 853 790 A 26 MET HA A 27 GLY HAx 1.0 0.0 5.07 854 791 A 20 VAL HA A 26 MET HA 1.0 0.0 3.64 855 792 A 27 GLY HAy A 26 MET HA 1.0 0.0 5.38 856 793 A 26 MET HA A 26 MET HGy 1.0 0.0 3.68 857 794 A 26 MET HA A 20 VAL HGy% 1.0 0.0 4.48 858 795 A 18 VAL HGy% A 26 MET HA 1.0 0.0 4.81 859 796 A 17 LYS HA A 11 ASP HA 1.0 0.0 3.56 860 797 A 17 LYS HA A 11 ASP HBx 1.0 0.0 5.50 861 798 A 17 LYS HA A 12 LEU HBx 1.0 0.0 4.44 862 799 A 17 LYS HA A 17 LYS HGx 1.0 0.0 3.72 863 800 A 17 LYS HA A 12 LEU HDy% 1.0 0.0 4.87 864 801 A 17 LYS HA A 12 LEU HDx% 1.0 0.0 5.14 865 802 A 51 LYS HA A 51 LYS HGy 1.0 0.0 3.78 866 803 A 58 GLU HA A 59 ILE HG21 1.0 0.0 5.46 867 804 A 58 GLU HA A 58 GLU HGy 1.0 0.0 3.95 868 805 A 45 GLU HA A 51 LYS HEx 1.0 0.0 5.50 869 805 A 45 GLU HA A 51 LYS HEy 1.0 0.0 5.50 870 806 A 45 GLU HA A 51 LYS HGy 1.0 0.0 4.63 871 807 A 45 GLU HA A 12 LEU HDx% 1.0 0.0 5.27 872 808 A 3 MET HGy A 3 MET HA 1.0 0.0 4.11 873 809 A 3 MET HA A 6 VAL HB 1.0 0.0 3.34 874 810 A 6 VAL HGx% A 3 MET HA 1.0 0.0 3.80 875 811 A 45 GLU HA A 46 THR HG2% 1.0 0.0 4.45 876 812 A 20 VAL HB A 19 HIS HA 1.0 0.0 5.42 877 813 A 29 GLU HA A 29 GLU HGy 1.0 0.0 4.22 878 814 A 29 GLU HA A 62 LEU HDx% 1.0 0.0 5.19 879 815 A 29 GLU HA A 33 GLY HAx 1.0 0.0 5.50 880 815 A 29 GLU HA A 33 GLY HAy 1.0 0.0 5.50 881 816 A 29 GLU HA A 30 ASN HBy 1.0 0.0 5.50 882 817 A 12 LEU HA A 47 ARG HA 1.0 0.0 5.50 883 818 A 34 LYS HA A 33 GLY HAx 1.0 0.0 4.52 884 818 A 34 LYS HA A 33 GLY HAy 1.0 0.0 4.52 885 819 A 34 LYS HA A 34 LYS HDx 1.0 0.0 3.63 886 819 A 34 LYS HDy A 34 LYS HA 1.0 0.0 3.63 887 820 A 34 LYS HA A 34 LYS HGy 1.0 0.0 4.16 888 821 A 2 ASP HA A 1 VAL HGy% 1.0 0.0 4.88 889 821 A 2 ASP HA A 1 VAL HGx% 1.0 0.0 4.88 890 822 A 28 MET HA A 18 VAL HA 1.0 0.0 3.56 891 823 A 28 MET HA A 18 VAL HB 1.0 0.0 4.50 892 824 A 28 MET HA A 18 VAL HGy% 1.0 0.0 4.87 893 825 A 34 LYS HA A 34 LYS HEx 1.0 0.0 5.36 894 825 A 34 LYS HA A 34 LYS HEy 1.0 0.0 5.36 895 826 A 44 MET HA A 44 MET HGx 1.0 0.0 3.23 896 826 A 44 MET HGy A 44 MET HA 1.0 0.0 3.23 897 827 A 43 VAL HGx% A 44 MET HA 1.0 0.0 4.32 898 828 A 44 MET HA A 45 GLU HBy 1.0 0.0 4.63 899 829 A 12 LEU HDx% A 44 MET HA 1.0 0.0 4.92 900 830 A 48 ASP HA A 49 GLY HAy 1.0 0.0 5.20 901 831 A 43 VAL HA A 44 MET HA 1.0 0.0 4.49 902 832 A 13 GLN HA A 14 ASP HA 1.0 0.0 4.96 903 833 A 14 ASP HBy A 14 ASP HA 1.0 0.0 2.96 904 834 A 14 ASP HA A 15 GLY HAx 1.0 0.0 4.46 905 835 A 14 ASP HBx A 14 ASP HA 1.0 0.0 2.88 906 836 A 5 ASN HA A 22 LYS HBx 1.0 0.0 4.88 907 836 A 5 ASN HA A 22 LYS HBy 1.0 0.0 4.88 908 837 A 23 ASP HA A 24 GLY HAy 1.0 0.0 5.17 909 838 A 23 ASP HA A 23 ASP HBx 1.0 0.0 2.89 910 839 A 5 ASN HA A 22 LYS HDx 1.0 0.0 4.83 911 839 A 5 ASN HA A 22 LYS HDy 1.0 0.0 4.83 912 840 A 5 ASN HA A 22 LYS HEx 1.0 0.0 4.32 913 840 A 5 ASN HA A 22 LYS HEy 1.0 0.0 4.32 914 841 A 5 ASN HA A 4 SER HA 1.0 0.0 5.40 915 842 A 39 PRO HDx A 38 MET HA 1.0 0.0 3.32 916 843 A 39 PRO HDx A 42 LYS HEx 1.0 0.0 5.38 917 843 A 39 PRO HDx A 42 LYS HEy 1.0 0.0 5.38 918 844 A 39 PRO HDx A 38 MET HGy 1.0 0.0 4.14 919 845 A 39 PRO HDx A 38 MET HBx 1.0 0.0 4.90 920 846 A 39 PRO HDx A 42 LYS HGx 1.0 0.0 4.76 921 846 A 39 PRO HDx A 42 LYS HGy 1.0 0.0 4.76 922 847 A 38 MET HA A 39 PRO HDy 1.0 0.0 3.62 923 848 A 39 PRO HDy A 42 LYS HEx 1.0 0.0 5.21 924 848 A 42 LYS HEy A 39 PRO HDy 1.0 0.0 5.21 925 849 A 38 MET HGy A 39 PRO HDy 1.0 0.0 3.88 926 850 A 38 MET HBx A 39 PRO HDy 1.0 0.0 5.45 927 851 A 39 PRO HDy A 42 LYS HGx 1.0 0.0 4.28 928 851 A 42 LYS HGy A 39 PRO HDy 1.0 0.0 4.28 929 852 A 16 SER HBy A 30 ASN HA 1.0 0.0 4.75 930 853 A 32 PHE HA A 33 GLY HAx 1.0 0.0 5.19 931 853 A 33 GLY HAy A 32 PHE HA 1.0 0.0 5.19 932 854 A 29 GLU HGx A 33 GLY HAx 1.0 0.0 4.03 933 854 A 29 GLU HGx A 33 GLY HAy 1.0 0.0 4.03 934 855 A 29 GLU HGy A 33 GLY HAx 1.0 0.0 4.04 935 855 A 29 GLU HGy A 33 GLY HAy 1.0 0.0 4.04 936 856 A 29 GLU HBx A 33 GLY HAx 1.0 0.0 4.12 937 856 A 29 GLU HBx A 33 GLY HAy 1.0 0.0 4.12 938 857 A 33 GLY HAx A 34 LYS HDx 1.0 0.0 5.50 939 857 A 33 GLY HAy A 34 LYS HDx 1.0 0.0 5.50 940 857 A 34 LYS HDy A 33 GLY HAx 1.0 0.0 5.50 941 857 A 34 LYS HDy A 33 GLY HAy 1.0 0.0 5.50 942 858 A 48 ASP HBx A 49 GLY HAx 1.0 0.0 5.50 943 859 A 45 GLU HGx A 49 GLY HAx 1.0 0.0 4.54 944 860 A 45 GLU HGx A 49 GLY HAy 1.0 0.0 4.24 945 861 A 45 GLU HGy A 49 GLY HAy 1.0 0.0 4.28 946 862 A 48 ASP HBx A 49 GLY HAy 1.0 0.0 5.50 947 863 A 23 ASP HA A 24 GLY HAx 1.0 0.0 4.75 948 864 A 73 GLY HAx A 74 GLY HAx 1.0 0.0 4.43 949 864 A 73 GLY HAx A 74 GLY HAy 1.0 0.0 4.43 950 865 A 40 GLU HGy A 41 GLY HAx 1.0 0.0 5.50 951 866 A 40 GLU HA A 41 GLY HAx 1.0 0.0 4.54 952 867 A 41 GLY HAy A 40 GLU HGy 1.0 0.0 5.50 953 868 A 53 ILE HG21 A 41 GLY HAx 1.0 0.0 3.78 954 869 A 27 GLY HAx A 54 MET HE% 1.0 0.0 4.67 955 870 A 27 GLY HAx A 62 LEU HDy% 1.0 0.0 5.50 956 871 A 27 GLY HAy A 54 MET HE% 1.0 0.0 5.32 957 872 A 27 GLY HAy A 26 MET HBx 1.0 0.0 5.50 958 872 A 27 GLY HAy A 26 MET HBy 1.0 0.0 5.50 959 873 A 27 GLY HAy A 62 LEU HDy% 1.0 0.0 4.77 960 874 A 47 ARG HA A 47 ARG HDx 1.0 0.0 4.10 961 874 A 47 ARG HDy A 47 ARG HA 1.0 0.0 4.10 962 875 A 11 ASP HBx A 47 ARG HDx 1.0 0.0 3.97 963 875 A 11 ASP HBx A 47 ARG HDy 1.0 0.0 3.97 964 876 A 11 ASP HBy A 47 ARG HDx 1.0 0.0 4.12 965 876 A 11 ASP HBy A 47 ARG HDy 1.0 0.0 4.12 966 877 A 47 ARG HBy A 47 ARG HDx 1.0 0.0 3.45 967 877 A 47 ARG HDy A 47 ARG HBy 1.0 0.0 3.45 968 878 A 67 ARG HBx A 67 ARG HDx 1.0 0.0 3.39 969 878 A 67 ARG HDy A 67 ARG HBx 1.0 0.0 3.39 970 879 A 67 ARG HA A 67 ARG HDx 1.0 0.0 4.49 971 879 A 67 ARG HA A 67 ARG HDy 1.0 0.0 4.49 972 880 A 25 LYS HA A 25 LYS HEx 1.0 0.0 5.48 973 880 A 25 LYS HA A 25 LYS HEy 1.0 0.0 5.48 974 881 A 38 MET HA A 42 LYS HEx 1.0 0.0 4.14 975 881 A 38 MET HA A 42 LYS HEy 1.0 0.0 4.14 976 882 A 22 LYS HBy A 22 LYS HEx 1.0 0.0 3.92 977 882 A 22 LYS HBx A 22 LYS HEx 1.0 0.0 3.92 978 882 A 22 LYS HEy A 22 LYS HBx 1.0 0.0 3.92 979 882 A 22 LYS HBy A 22 LYS HEy 1.0 0.0 3.92 980 883 A 42 LYS HEx A 42 LYS HGx 1.0 0.0 3.03 981 883 A 42 LYS HEy A 42 LYS HGx 1.0 0.0 3.03 982 883 A 42 LYS HGy A 42 LYS HEx 1.0 0.0 3.03 983 883 A 42 LYS HGy A 42 LYS HEy 1.0 0.0 3.03 984 884 A 42 LYS HA A 42 LYS HEx 1.0 0.0 4.53 985 884 A 42 LYS HA A 42 LYS HEy 1.0 0.0 4.53 986 885 A 42 LYS HDx A 42 LYS HEx 1.0 0.0 2.92 987 885 A 42 LYS HDy A 42 LYS HEx 1.0 0.0 2.92 988 885 A 42 LYS HEy A 42 LYS HDx 1.0 0.0 2.92 989 885 A 42 LYS HDy A 42 LYS HEy 1.0 0.0 2.92 990 886 A 51 LYS HBx A 51 LYS HEx 1.0 0.0 4.00 991 886 A 51 LYS HEy A 51 LYS HBx 1.0 0.0 4.00 992 887 A 11 ASP HA A 17 LYS HEx 1.0 0.0 4.55 993 887 A 11 ASP HA A 17 LYS HEy 1.0 0.0 4.55 994 888 A 31 LYS HA A 17 LYS HEx 1.0 0.0 5.16 995 888 A 31 LYS HA A 17 LYS HEy 1.0 0.0 5.16 996 889 A 51 LYS HGy A 51 LYS HEx 1.0 0.0 3.32 997 889 A 51 LYS HEy A 51 LYS HGy 1.0 0.0 3.32 998 890 A 9 THR HG2% A 17 LYS HEx 1.0 0.0 4.84 999 890 A 9 THR HG2% A 17 LYS HEy 1.0 0.0 4.84 1000 891 A 43 VAL HGx% A 51 LYS HEx 1.0 0.0 4.45 1001 891 A 43 VAL HGx% A 51 LYS HEy 1.0 0.0 4.45 1002 892 A 8 LYS HA A 8 LYS HEx 1.0 0.0 5.50 1003 893 A 62 LEU HBy A 62 LEU HDy% 1.0 0.0 3.63 1004 894 A 7 VAL HGx% A 22 LYS HEx 1.0 0.0 4.61 1005 894 A 7 VAL HGx% A 22 LYS HEy 1.0 0.0 4.61 1006 895 A 10 TYR HE% A 8 LYS HEx 1.0 0.0 4.96 1007 896 A 10 TYR HD% A 8 LYS HEy 1.0 0.0 5.50 1008 897 A 8 LYS HEy A 10 TYR HE% 1.0 0.0 5.17 1009 898 A 8 LYS HA A 8 LYS HEy 1.0 0.0 5.50 1010 899 A 63 ASP HA A 66 LEU HBx 1.0 0.0 4.97 1011 900 A 66 LEU HBx A 66 LEU HDx% 1.0 0.0 4.07 1012 900 A 66 LEU HBx A 66 LEU HDy% 1.0 0.0 4.07 1013 901 A 65 ALA HB% A 66 LEU HBx 1.0 0.0 5.18 1014 902 A 63 ASP HA A 66 LEU HBy 1.0 0.0 5.44 1015 903 A 65 ALA HB% A 66 LEU HBy 1.0 0.0 4.77 1016 904 A 66 LEU HBy A 66 LEU HDx% 1.0 0.0 3.97 1017 904 A 66 LEU HBy A 66 LEU HDy% 1.0 0.0 3.97 1018 905 A 31 LYS HGy A 31 LYS HEx 1.0 0.0 4.01 1019 905 A 31 LYS HGy A 31 LYS HEy 1.0 0.0 4.01 1020 906 A 32 PHE HZ A 31 LYS HEx 1.0 0.0 4.15 1021 906 A 31 LYS HEy A 32 PHE HZ 1.0 0.0 4.15 1022 907 A 31 LYS HBy A 31 LYS HEx 1.0 0.0 4.94 1023 907 A 31 LYS HBy A 31 LYS HEy 1.0 0.0 4.94 1024 908 A 31 LYS HGx A 31 LYS HEx 1.0 0.0 4.01 1025 908 A 31 LYS HGx A 31 LYS HEy 1.0 0.0 4.01 1026 909 A 11 ASP HBx A 47 ARG HBy 1.0 0.0 5.33 1027 910 A 11 ASP HBx A 47 ARG HGy 1.0 0.0 4.33 1028 910 A 11 ASP HBx A 47 ARG HGx 1.0 0.0 4.33 1029 911 A 11 ASP HBy A 47 ARG HBy 1.0 0.0 4.94 1030 912 A 11 ASP HBy A 47 ARG HGy 1.0 0.0 4.64 1031 912 A 11 ASP HBy A 47 ARG HGx 1.0 0.0 4.64 1032 913 A 52 ILE HB A 44 MET HGx 1.0 0.0 5.34 1033 913 A 52 ILE HB A 44 MET HGy 1.0 0.0 5.34 1034 914 A 52 ILE HB A 44 MET HBy 1.0 0.0 4.70 1035 915 A 52 ILE HB A 46 THR HG2% 1.0 0.0 5.13 1036 916 A 52 ILE HB A 51 LYS HA 1.0 0.0 5.50 1037 917 A 12 LEU HBx A 17 LYS HGx 1.0 0.0 5.50 1038 918 A 17 LYS HA A 12 LEU HBy 1.0 0.0 5.12 1039 919 A 12 LEU HBy A 12 LEU HDy% 1.0 0.0 3.98 1040 920 A 12 LEU HDx% A 12 LEU HBy 1.0 0.0 4.18 1041 921 A 21 PHE HBx A 22 LYS HBx 1.0 0.0 4.85 1042 921 A 21 PHE HBx A 22 LYS HBy 1.0 0.0 4.85 1043 922 A 20 VAL HA A 21 PHE HBy 1.0 0.0 5.50 1044 923 A 46 THR HB A 48 ASP HBx 1.0 0.0 5.50 1045 924 A 46 THR HG2% A 48 ASP HBx 1.0 0.0 5.50 1046 925 A 2 ASP HBx A 4 SER HA 1.0 0.0 5.15 1047 926 A 10 TYR HBx A 12 LEU HDy% 1.0 0.0 5.50 1048 927 A 46 THR HG2% A 10 TYR HBx 1.0 0.0 3.57 1049 928 A 10 TYR HBx A 12 LEU HDx% 1.0 0.0 4.68 1050 929 A 52 ILE HD1% A 10 TYR HBx 1.0 0.0 5.10 1051 930 A 12 LEU HBy A 14 ASP HBy 1.0 0.0 5.50 1052 931 A 14 ASP HBx A 13 GLN HBx 1.0 0.0 5.50 1053 932 A 21 PHE HD% A 5 ASN HBx 1.0 0.0 4.70 1054 933 A 21 PHE HD% A 5 ASN HBy 1.0 0.0 4.41 1055 934 A 5 ASN HBy A 22 LYS HBx 1.0 0.0 5.18 1056 934 A 5 ASN HBy A 22 LYS HBy 1.0 0.0 5.18 1057 935 A 5 ASN HBy A 22 LYS HEx 1.0 0.0 4.59 1058 935 A 5 ASN HBy A 22 LYS HEy 1.0 0.0 4.59 1059 936 A 23 ASP HBy A 25 LYS HA 1.0 0.0 5.50 1060 937 A 30 ASN HBy A 36 MET HBx 1.0 0.0 4.35 1061 937 A 36 MET HBy A 30 ASN HBy 1.0 0.0 4.35 1062 938 A 59 ILE HG21 A 60 PHE HBx 1.0 0.0 5.50 1063 939 A 32 PHE HBx A 34 LYS HEx 1.0 0.0 4.57 1064 939 A 32 PHE HBx A 34 LYS HEy 1.0 0.0 4.57 1065 940 A 32 PHE HBx A 34 LYS HBx 1.0 0.0 4.93 1066 941 A 30 ASN HBx A 31 LYS HGx 1.0 0.0 5.37 1067 942 A 32 PHE HBy A 31 LYS HDx 1.0 0.0 5.02 1068 942 A 32 PHE HBy A 31 LYS HDy 1.0 0.0 5.02 1069 943 A 38 MET HE% A 38 MET HBx 1.0 0.0 4.30 1070 944 A 36 MET HE% A 38 MET HBx 1.0 0.0 5.50 1071 945 A 38 MET HE% A 38 MET HBy 1.0 0.0 4.48 1072 946 A 18 VAL HA A 17 LYS HBx 1.0 0.0 5.50 1073 946 A 18 VAL HA A 17 LYS HBy 1.0 0.0 5.50 1074 947 A 11 ASP HA A 17 LYS HBx 1.0 0.0 4.48 1075 947 A 11 ASP HA A 17 LYS HBy 1.0 0.0 4.48 1076 948 A 12 LEU HBx A 17 LYS HBx 1.0 0.0 4.87 1077 948 A 12 LEU HBx A 17 LYS HBy 1.0 0.0 4.87 1078 949 A 17 LYS HBy A 17 LYS HEx 1.0 0.0 4.63 1079 949 A 17 LYS HBx A 17 LYS HEx 1.0 0.0 4.63 1080 949 A 17 LYS HEy A 17 LYS HBx 1.0 0.0 4.63 1081 949 A 17 LYS HBy A 17 LYS HEy 1.0 0.0 4.63 1082 950 A 9 THR HG2% A 17 LYS HBx 1.0 0.0 4.47 1083 950 A 9 THR HG2% A 17 LYS HBy 1.0 0.0 4.47 1084 951 A 54 MET HE% A 26 MET HBx 1.0 0.0 4.72 1085 951 A 54 MET HE% A 26 MET HBy 1.0 0.0 4.72 1086 952 A 26 MET HBy A 20 VAL HGy% 1.0 0.0 5.50 1087 952 A 20 VAL HGy% A 26 MET HBx 1.0 0.0 5.50 1088 953 A 18 VAL HGy% A 26 MET HBx 1.0 0.0 4.43 1089 953 A 18 VAL HGy% A 26 MET HBy 1.0 0.0 4.43 1090 954 A 25 LYS HA A 26 MET HBx 1.0 0.0 5.45 1091 954 A 25 LYS HA A 26 MET HBy 1.0 0.0 5.45 1092 955 A 26 MET HE% A 26 MET HBx 1.0 0.0 5.50 1093 955 A 26 MET HBy A 26 MET HE% 1.0 0.0 5.50 1094 956 A 26 MET HBx A 58 GLU HBx 1.0 0.0 5.40 1095 956 A 26 MET HBy A 58 GLU HBx 1.0 0.0 5.40 1096 957 A 45 GLU HGx A 51 LYS HGy 1.0 0.0 5.17 1097 958 A 43 VAL HGx% A 45 GLU HGx 1.0 0.0 5.50 1098 959 A 45 GLU HBx A 45 GLU HGy 1.0 0.0 2.40 1099 960 A 45 GLU HA A 45 GLU HGy 1.0 0.0 4.24 1100 961 A 45 GLU HGy A 51 LYS HGy 1.0 0.0 5.41 1101 962 A 29 GLU HGx A 62 LEU HDx% 1.0 0.0 5.50 1102 963 A 45 GLU HGx A 51 LYS HEx 1.0 0.0 5.37 1103 963 A 51 LYS HEy A 45 GLU HGx 1.0 0.0 5.37 1104 964 A 16 SER HBy A 36 MET HBx 1.0 0.0 5.50 1105 964 A 36 MET HBy A 16 SER HBy 1.0 0.0 5.50 1106 965 A 29 GLU HGy A 62 LEU HDx% 1.0 0.0 5.50 1107 966 A 28 MET HGx A 54 MET HE% 1.0 0.0 4.33 1108 967 A 28 MET HGx A 38 MET HBy 1.0 0.0 4.67 1109 968 A 18 VAL HGy% A 28 MET HGx 1.0 0.0 5.24 1110 969 A 18 VAL HA A 28 MET HGy 1.0 0.0 4.94 1111 970 A 12 LEU HDy% A 28 MET HGy 1.0 0.0 5.50 1112 971 A 28 MET HGy A 54 MET HE% 1.0 0.0 4.42 1113 972 A 28 MET HGy A 38 MET HBy 1.0 0.0 4.91 1114 973 A 72 GLU HBx A 72 GLU HGx 1.0 0.0 2.65 1115 973 A 72 GLU HGy A 72 GLU HBx 1.0 0.0 2.65 1116 974 A 8 LYS HBx A 10 TYR HE% 1.0 0.0 5.50 1117 975 A 7 VAL HGx% A 8 LYS HBx 1.0 0.0 5.50 1118 976 A 8 LYS HBy A 10 TYR HE% 1.0 0.0 5.25 1119 977 A 20 VAL HB A 8 LYS HBy 1.0 0.0 4.12 1120 978 A 58 GLU HA A 54 MET HGy 1.0 0.0 5.50 1121 979 A 40 GLU HA A 54 MET HGy 1.0 0.0 4.54 1122 980 A 18 VAL HB A 12 LEU HDx% 1.0 0.0 5.50 1123 981 A 18 VAL HB A 12 LEU HDy% 1.0 0.0 4.39 1124 982 A 18 VAL HB A 12 LEU HG 1.0 0.0 5.36 1125 983 A 18 VAL HB A 10 TYR HD% 1.0 0.0 5.50 1126 984 A 26 MET HGx A 54 MET HE% 1.0 0.0 5.50 1127 985 A 26 MET HA A 26 MET HGx 1.0 0.0 4.23 1128 986 A 20 VAL HA A 26 MET HGx 1.0 0.0 4.40 1129 987 A 26 MET HGx A 58 GLU HBx 1.0 0.0 5.50 1130 988 A 26 MET HGx A 20 VAL HGy% 1.0 0.0 4.22 1131 989 A 18 VAL HGy% A 26 MET HGx 1.0 0.0 5.18 1132 990 A 26 MET HGy A 26 MET HE% 1.0 0.0 4.04 1133 991 A 18 VAL HGy% A 26 MET HGy 1.0 0.0 4.95 1134 992 A 38 MET HGx A 44 MET HGx 1.0 0.0 5.50 1135 992 A 44 MET HGy A 38 MET HGx 1.0 0.0 5.50 1136 993 A 29 GLU HBy A 62 LEU HDx% 1.0 0.0 5.50 1137 994 A 29 GLU HBy A 17 LYS HBx 1.0 0.0 4.71 1138 994 A 17 LYS HBy A 29 GLU HBy 1.0 0.0 4.71 1139 995 A 59 ILE HA A 58 GLU HGx 1.0 0.0 5.50 1140 996 A 25 LYS HA A 58 GLU HGy 1.0 0.0 4.97 1141 997 A 25 LYS HA A 58 GLU HGx 1.0 0.0 5.44 1142 998 A 58 GLU HA A 58 GLU HGx 1.0 0.0 4.09 1143 999 A 44 MET HBy A 12 LEU HDy% 1.0 0.0 5.13 1144 1000 A 54 MET HA A 58 GLU HGy 1.0 0.0 5.24 1145 1001 A 44 MET HBx A 12 LEU HDx% 1.0 0.0 5.50 1146 1002 A 32 PHE HBx A 34 LYS HBy 1.0 0.0 5.50 1147 1003 A 34 LYS HBx A 32 PHE HD% 1.0 0.0 5.36 1148 1004 A 34 LYS HBy A 32 PHE HD% 1.0 0.0 5.07 1149 1005 A 51 LYS HBx A 51 LYS HDx 1.0 0.0 3.99 1150 1005 A 51 LYS HBx A 51 LYS HDy 1.0 0.0 3.99 1151 1006 A 43 VAL HGx% A 51 LYS HBx 1.0 0.0 4.64 1152 1007 A 50 THR HA A 51 LYS HBy 1.0 0.0 5.50 1153 1008 A 51 LYS HBy A 51 LYS HEx 1.0 0.0 5.26 1154 1008 A 51 LYS HEy A 51 LYS HBy 1.0 0.0 5.26 1155 1009 A 51 LYS HBy A 51 LYS HDx 1.0 0.0 3.71 1156 1009 A 51 LYS HDy A 51 LYS HBy 1.0 0.0 3.71 1157 1010 A 43 VAL HGy% A 51 LYS HBy 1.0 0.0 5.41 1158 1011 A 43 VAL HGx% A 51 LYS HBy 1.0 0.0 4.19 1159 1012 A 51 LYS HBy A 50 THR HG2% 1.0 0.0 5.50 1160 1013 A 13 GLN HGx A 13 GLN HA 1.0 0.0 3.99 1161 1014 A 13 GLN HGy A 47 ARG HGy 1.0 0.0 5.50 1162 1014 A 13 GLN HGy A 47 ARG HGx 1.0 0.0 5.50 1163 1015 A 12 LEU HA A 13 GLN HGy 1.0 0.0 5.30 1164 1016 A 25 LYS HBx A 25 LYS HEx 1.0 0.0 5.50 1165 1016 A 25 LYS HBx A 25 LYS HEy 1.0 0.0 5.50 1166 1017 A 26 MET HGx A 25 LYS HBy 1.0 0.0 4.55 1167 1018 A 19 HIS HBx A 6 VAL HGx% 1.0 0.0 5.24 1168 1019 A 19 HIS HBy A 6 VAL HGx% 1.0 0.0 4.63 1169 1020 A 38 MET HGx A 42 LYS HGx 1.0 0.0 4.93 1170 1020 A 42 LYS HGy A 38 MET HGx 1.0 0.0 4.93 1171 1021 A 39 PRO HBx A 42 LYS HEx 1.0 0.0 5.50 1172 1021 A 39 PRO HBx A 42 LYS HEy 1.0 0.0 5.50 1173 1022 A 39 PRO HBx A 42 LYS HGx 1.0 0.0 5.23 1174 1022 A 39 PRO HBx A 42 LYS HGy 1.0 0.0 5.23 1175 1023 A 18 VAL HGy% A 20 VAL HB 1.0 0.0 5.35 1176 1024 A 21 PHE HA A 22 LYS HBx 1.0 0.0 5.50 1177 1024 A 22 LYS HBy A 21 PHE HA 1.0 0.0 5.50 1178 1025 A 21 PHE HBy A 22 LYS HBx 1.0 0.0 5.22 1179 1025 A 21 PHE HBy A 22 LYS HBy 1.0 0.0 5.22 1180 1026 A 39 PRO HBy A 38 MET HA 1.0 0.0 5.50 1181 1027 A 42 LYS HBy A 42 LYS HEx 1.0 0.0 4.40 1182 1027 A 42 LYS HBy A 42 LYS HEy 1.0 0.0 4.40 1183 1028 A 38 MET HGx A 39 PRO HGx 1.0 0.0 5.50 1184 1028 A 38 MET HGx A 39 PRO HGy 1.0 0.0 5.50 1185 1029 A 39 PRO HDy A 38 MET HGx 1.0 0.0 4.45 1186 1030 A 38 MET HE% A 38 MET HGx 1.0 0.0 4.58 1187 1031 A 39 PRO HDx A 38 MET HGx 1.0 0.0 5.02 1188 1032 A 38 MET HA A 38 MET HGy 1.0 0.0 4.24 1189 1033 A 38 MET HGy A 42 LYS HGx 1.0 0.0 4.68 1190 1033 A 42 LYS HGy A 38 MET HGy 1.0 0.0 4.68 1191 1034 A 42 LYS HA A 43 VAL HB 1.0 0.0 4.87 1192 1035 A 45 GLU HBy A 51 LYS HEx 1.0 0.0 4.80 1193 1035 A 51 LYS HEy A 45 GLU HBy 1.0 0.0 4.80 1194 1036 A 2 ASP HA A 3 MET HGx 1.0 0.0 5.50 1195 1037 A 3 MET HGx A 1 VAL HGy% 1.0 0.0 5.50 1196 1037 A 3 MET HGx A 1 VAL HGx% 1.0 0.0 5.50 1197 1038 A 3 MET HGy A 1 VAL HGy% 1.0 0.0 5.50 1198 1038 A 3 MET HGy A 1 VAL HGx% 1.0 0.0 5.50 1199 1039 A 2 ASP HA A 3 MET HGy 1.0 0.0 5.50 1200 1040 A 40 GLU HA A 54 MET HBx 1.0 0.0 4.77 1201 1041 A 29 GLU HA A 36 MET HGx 1.0 0.0 5.12 1202 1042 A 30 ASN HBy A 36 MET HGx 1.0 0.0 4.92 1203 1043 A 29 GLU HA A 36 MET HGy 1.0 0.0 5.08 1204 1044 A 36 MET HE% A 36 MET HGy 1.0 0.0 4.11 1205 1045 A 30 ASN HBy A 36 MET HGy 1.0 0.0 5.16 1206 1046 A 44 MET HE% A 54 MET HBy 1.0 0.0 5.04 1207 1047 A 64 GLU HBx A 65 ALA HA 1.0 0.0 5.44 1208 1048 A 64 GLU HBy A 65 ALA HA 1.0 0.0 5.50 1209 1049 A 11 ASP HBx A 47 ARG HBx 1.0 0.0 5.50 1210 1050 A 9 THR HG2% A 17 LYS HDx 1.0 0.0 5.12 1211 1050 A 9 THR HG2% A 17 LYS HDy 1.0 0.0 5.12 1212 1051 A 17 LYS HA A 17 LYS HDx 1.0 0.0 5.32 1213 1051 A 17 LYS HA A 17 LYS HDy 1.0 0.0 5.32 1214 1052 A 11 ASP HA A 17 LYS HDx 1.0 0.0 5.37 1215 1052 A 11 ASP HA A 17 LYS HDy 1.0 0.0 5.37 1216 1053 A 17 LYS HGx A 17 LYS HDx 1.0 0.0 2.40 1217 1053 A 17 LYS HGx A 17 LYS HDy 1.0 0.0 2.40 1218 1054 A 17 LYS HBx A 17 LYS HDx 1.0 0.0 3.26 1219 1054 A 17 LYS HBy A 17 LYS HDx 1.0 0.0 3.26 1220 1054 A 17 LYS HDy A 17 LYS HBx 1.0 0.0 3.26 1221 1054 A 17 LYS HBy A 17 LYS HDy 1.0 0.0 3.26 1222 1055 A 7 VAL HGy% A 22 LYS HDx 1.0 0.0 5.50 1223 1055 A 7 VAL HGy% A 22 LYS HDy 1.0 0.0 5.50 1224 1056 A 8 LYS HBx A 8 LYS HDx 1.0 0.0 2.40 1225 1056 A 8 LYS HBx A 8 LYS HDy 1.0 0.0 2.40 1226 1057 A 32 PHE HZ A 31 LYS HDx 1.0 0.0 5.26 1227 1057 A 31 LYS HDy A 32 PHE HZ 1.0 0.0 5.26 1228 1058 A 31 LYS HBy A 31 LYS HDx 1.0 0.0 3.46 1229 1058 A 31 LYS HDy A 31 LYS HBy 1.0 0.0 3.46 1230 1059 A 25 LYS HBx A 25 LYS HDx 1.0 0.0 4.16 1231 1059 A 25 LYS HBx A 25 LYS HDy 1.0 0.0 4.16 1232 1060 A 51 LYS HDx A 51 LYS HGx 1.0 0.0 2.40 1233 1060 A 51 LYS HDy A 51 LYS HGx 1.0 0.0 2.40 1234 1061 A 43 VAL HA A 51 LYS HDx 1.0 0.0 4.91 1235 1061 A 43 VAL HA A 51 LYS HDy 1.0 0.0 4.91 1236 1062 A 51 LYS HA A 51 LYS HDx 1.0 0.0 5.14 1237 1062 A 51 LYS HDy A 51 LYS HA 1.0 0.0 5.14 1238 1063 A 43 VAL HGx% A 51 LYS HDx 1.0 0.0 4.53 1239 1063 A 43 VAL HGx% A 51 LYS HDy 1.0 0.0 4.53 1240 1064 A 10 TYR HE% A 8 LYS HDx 1.0 0.0 5.29 1241 1064 A 8 LYS HDy A 10 TYR HE% 1.0 0.0 5.29 1242 1065 A 8 LYS HA A 8 LYS HDx 1.0 0.0 4.17 1243 1065 A 8 LYS HA A 8 LYS HDy 1.0 0.0 4.17 1244 1066 A 12 LEU HA A 13 GLN HBy 1.0 0.0 5.19 1245 1067 A 42 LYS HA A 42 LYS HDx 1.0 0.0 3.89 1246 1067 A 42 LYS HA A 42 LYS HDy 1.0 0.0 3.89 1247 1068 A 39 PRO HDy A 42 LYS HDx 1.0 0.0 5.17 1248 1068 A 42 LYS HDy A 39 PRO HDy 1.0 0.0 5.17 1249 1069 A 34 LYS HBx A 34 LYS HDx 1.0 0.0 3.92 1250 1069 A 34 LYS HDy A 34 LYS HBx 1.0 0.0 3.92 1251 1070 A 34 LYS HGx A 34 LYS HDx 1.0 0.0 2.97 1252 1070 A 34 LYS HDy A 34 LYS HGx 1.0 0.0 2.97 1253 1071 A 53 ILE HG12 A 43 VAL HGy% 1.0 0.0 4.70 1254 1072 A 52 ILE HA A 53 ILE HG13 1.0 0.0 5.50 1255 1073 A 53 ILE HG13 A 43 VAL HGy% 1.0 0.0 4.71 1256 1074 A 14 ASP HBx A 12 LEU HG 1.0 0.0 5.50 1257 1075 A 17 LYS HA A 12 LEU HG 1.0 0.0 4.69 1258 1076 A 12 LEU HA A 12 LEU HG 1.0 0.0 4.22 1259 1077 A 38 MET HA A 39 PRO HGx 1.0 0.0 4.78 1260 1077 A 38 MET HA A 39 PRO HGy 1.0 0.0 4.78 1261 1078 A 39 PRO HGy A 42 LYS HEx 1.0 0.0 4.67 1262 1078 A 39 PRO HGx A 42 LYS HEx 1.0 0.0 4.67 1263 1078 A 42 LYS HEy A 39 PRO HGx 1.0 0.0 4.67 1264 1078 A 42 LYS HEy A 39 PRO HGy 1.0 0.0 4.67 1265 1079 A 38 MET HGy A 39 PRO HGx 1.0 0.0 5.50 1266 1079 A 38 MET HGy A 39 PRO HGy 1.0 0.0 5.50 1267 1080 A 38 MET HBx A 39 PRO HGx 1.0 0.0 5.50 1268 1080 A 38 MET HBx A 39 PRO HGy 1.0 0.0 5.50 1269 1081 A 39 PRO HGy A 42 LYS HGx 1.0 0.0 4.77 1270 1081 A 39 PRO HGx A 42 LYS HGx 1.0 0.0 4.77 1271 1081 A 42 LYS HGy A 39 PRO HGx 1.0 0.0 4.77 1272 1081 A 42 LYS HGy A 39 PRO HGy 1.0 0.0 4.77 1273 1082 A 61 ARG HGy A 25 LYS HBy 1.0 0.0 5.50 1274 1083 A 46 THR HG2% A 52 ILE HG12 1.0 0.0 4.34 1275 1084 A 44 MET HE% A 52 ILE HG13 1.0 0.0 5.50 1276 1085 A 50 THR HG2% A 52 ILE HG13 1.0 0.0 4.49 1277 1086 A 51 LYS HA A 52 ILE HG13 1.0 0.0 5.50 1278 1087 A 12 LEU HDy% A 12 LEU HA 1.0 0.0 4.98 1279 1088 A 44 MET HA A 12 LEU HDy% 1.0 0.0 5.50 1280 1089 A 12 LEU HDy% A 16 SER HBy 1.0 0.0 5.50 1281 1090 A 12 LEU HDy% A 44 MET HGx 1.0 0.0 4.96 1282 1090 A 44 MET HGy A 12 LEU HDy% 1.0 0.0 4.96 1283 1091 A 44 MET HBx A 12 LEU HDy% 1.0 0.0 4.59 1284 1092 A 12 LEU HBx A 12 LEU HDy% 1.0 0.0 3.50 1285 1093 A 7 VAL HGx% A 22 LYS HGy 1.0 0.0 4.36 1286 1094 A 43 VAL HGy% A 51 LYS HGx 1.0 0.0 5.50 1287 1095 A 43 VAL HGx% A 51 LYS HGy 1.0 0.0 4.97 1288 1096 A 11 ASP HA A 17 LYS HGx 1.0 0.0 4.81 1289 1097 A 11 ASP HA A 17 LYS HGy 1.0 0.0 4.98 1290 1098 A 63 ASP HA A 62 LEU HDx% 1.0 0.0 5.08 1291 1099 A 62 LEU HDy% A 1 VAL HGy% 1.0 0.0 2.61 1292 1099 A 1 VAL HGx% A 62 LEU HDy% 1.0 0.0 2.61 1293 1100 A 32 PHE HBx A 34 LYS HGx 1.0 0.0 5.50 1294 1101 A 10 TYR HE% A 8 LYS HGx 1.0 0.0 5.50 1295 1102 A 20 VAL HB A 8 LYS HGx 1.0 0.0 5.49 1296 1103 A 62 LEU HA A 62 LEU HDx% 1.0 0.0 3.93 1297 1104 A 9 THR HB A 10 TYR HA 1.0 0.0 5.05 1298 1105 A 18 VAL HGy% A 10 TYR HD% 1.0 0.0 5.50 1299 1106 A 18 VAL HA A 18 VAL HGy% 1.0 0.0 3.69 1300 1107 A 20 VAL HA A 18 VAL HGy% 1.0 0.0 5.50 1301 1108 A 18 VAL HGy% A 28 MET HGy 1.0 0.0 4.73 1302 1109 A 52 ILE HG21 A 18 VAL HGy% 1.0 0.0 4.84 1303 1110 A 52 ILE HD1% A 18 VAL HGy% 1.0 0.0 5.50 1304 1111 A 31 LYS HGx A 32 PHE HE% 1.0 0.0 5.50 1305 1112 A 10 TYR HD% A 12 LEU HDx% 1.0 0.0 5.50 1306 1113 A 12 LEU HDx% A 12 LEU HA 1.0 0.0 3.05 1307 1114 A 10 TYR HBy A 12 LEU HDx% 1.0 0.0 3.93 1308 1115 A 44 MET HBy A 12 LEU HDx% 1.0 0.0 3.85 1309 1116 A 46 THR HG2% A 12 LEU HDx% 1.0 0.0 3.43 1310 1117 A 46 THR HB A 12 LEU HDx% 1.0 0.0 4.73 1311 1118 A 32 PHE HD% A 31 LYS HGx 1.0 0.0 5.50 1312 1119 A 32 PHE HD% A 31 LYS HGy 1.0 0.0 5.50 1313 1120 A 31 LYS HGy A 32 PHE HE% 1.0 0.0 5.50 1314 1121 A 46 THR HB A 10 TYR HBx 1.0 0.0 4.19 1315 1122 A 28 MET HA A 54 MET HE% 1.0 0.0 5.16 1316 1123 A 54 MET HE% A 54 MET HGy 1.0 0.0 3.15 1317 1124 A 28 MET HBx A 54 MET HE% 1.0 0.0 2.93 1318 1125 A 43 VAL HGy% A 42 LYS HA 1.0 0.0 4.35 1319 1126 A 43 VAL HA A 43 VAL HGy% 1.0 0.0 3.46 1320 1127 A 9 THR HG2% A 17 LYS HGy 1.0 0.0 3.85 1321 1128 A 10 TYR HD% A 9 THR HG2% 1.0 0.0 5.50 1322 1129 A 9 THR HG2% A 10 TYR HA 1.0 0.0 4.52 1323 1130 A 6 VAL HGy% A 19 HIS HA 1.0 0.0 4.77 1324 1131 A 6 VAL HA A 6 VAL HGy% 1.0 0.0 4.08 1325 1132 A 19 HIS HBx A 6 VAL HGy% 1.0 0.0 4.69 1326 1133 A 6 VAL HGy% A 19 HIS HBy 1.0 0.0 4.10 1327 1134 A 9 THR HG2% A 6 VAL HGy% 1.0 0.0 4.16 1328 1135 A 54 MET HE% A 54 MET HA 1.0 0.0 4.88 1329 1136 A 54 MET HE% A 54 MET HGx 1.0 0.0 3.47 1330 1137 A 43 VAL HGx% A 51 LYS HA 1.0 0.0 4.61 1331 1138 A 43 VAL HGx% A 51 LYS HGx 1.0 0.0 3.73 1332 1139 A 43 VAL HGx% A 42 LYS HA 1.0 0.0 5.50 1333 1140 A 44 MET HA A 38 MET HE% 1.0 0.0 4.42 1334 1141 A 38 MET HE% A 39 PRO HDy 1.0 0.0 4.57 1335 1142 A 38 MET HE% A 42 LYS HEx 1.0 0.0 4.46 1336 1142 A 38 MET HE% A 42 LYS HEy 1.0 0.0 4.46 1337 1143 A 38 MET HE% A 38 MET HGy 1.0 0.0 3.08 1338 1144 A 38 MET HE% A 44 MET HGx 1.0 0.0 2.83 1339 1144 A 44 MET HGy A 38 MET HE% 1.0 0.0 2.83 1340 1145 A 38 MET HE% A 42 LYS HDx 1.0 0.0 3.39 1341 1145 A 42 LYS HDy A 38 MET HE% 1.0 0.0 3.39 1342 1146 A 38 MET HE% A 42 LYS HGx 1.0 0.0 3.94 1343 1146 A 42 LYS HGy A 38 MET HE% 1.0 0.0 3.94 1344 1147 A 51 LYS HA A 46 THR HG2% 1.0 0.0 5.34 1345 1148 A 46 THR HG2% A 45 GLU HBx 1.0 0.0 5.50 1346 1149 A 10 TYR HD% A 46 THR HG2% 1.0 0.0 4.16 1347 1150 A 46 THR HG2% A 10 TYR HE% 1.0 0.0 5.50 1348 1151 A 46 THR HG2% A 46 THR HA 1.0 0.0 3.53 1349 1152 A 7 VAL HGy% A 8 LYS HBx 1.0 0.0 4.95 1350 1153 A 7 VAL HGy% A 22 LYS HEx 1.0 0.0 5.50 1351 1153 A 7 VAL HGy% A 22 LYS HEy 1.0 0.0 5.50 1352 1154 A 44 MET HE% A 46 THR HG2% 1.0 0.0 5.50 1353 1155 A 50 THR HB A 46 THR HA 1.0 0.0 4.79 1354 1156 A 26 MET HA A 20 VAL HGx% 1.0 0.0 5.03 1355 1157 A 8 LYS HBy A 20 VAL HGx% 1.0 0.0 4.69 1356 1158 A 50 THR HB A 46 THR HG2% 1.0 0.0 3.58 1357 1159 A 52 ILE HD1% A 50 THR HB 1.0 0.0 5.50 1358 1160 A 10 TYR HD% A 20 VAL HGy% 1.0 0.0 4.15 1359 1161 A 10 TYR HE% A 20 VAL HGy% 1.0 0.0 3.71 1360 1162 A 19 HIS HA A 20 VAL HGy% 1.0 0.0 4.58 1361 1163 A 20 VAL HA A 20 VAL HGy% 1.0 0.0 3.69 1362 1164 A 26 MET HGy A 20 VAL HGy% 1.0 0.0 3.89 1363 1165 A 8 LYS HBy A 20 VAL HGy% 1.0 0.0 4.54 1364 1166 A 18 VAL HGx% A 10 TYR HE% 1.0 0.0 5.50 1365 1167 A 44 MET HE% A 44 MET HBx 1.0 0.0 2.40 1366 1168 A 44 MET HE% A 44 MET HA 1.0 0.0 4.67 1367 1169 A 44 MET HE% A 54 MET HGx 1.0 0.0 5.50 1368 1170 A 44 MET HE% A 44 MET HGx 1.0 0.0 3.24 1369 1170 A 44 MET HE% A 44 MET HGy 1.0 0.0 3.24 1370 1171 A 44 MET HE% A 52 ILE HB 1.0 0.0 3.20 1371 1172 A 44 MET HE% A 18 VAL HGy% 1.0 0.0 3.38 1372 1173 A 44 MET HE% A 12 LEU HDy% 1.0 0.0 4.05 1373 1174 A 44 MET HE% A 52 ILE HG21 1.0 0.0 3.19 1374 1175 A 44 MET HE% A 52 ILE HD1% 1.0 0.0 4.39 1375 1176 A 18 VAL HGx% A 10 TYR HD% 1.0 0.0 3.86 1376 1177 A 18 VAL HGx% A 17 LYS HA 1.0 0.0 5.50 1377 1178 A 18 VAL HGx% A 10 TYR HBy 1.0 0.0 3.44 1378 1179 A 44 MET HE% A 18 VAL HGx% 1.0 0.0 4.32 1379 1180 A 18 VAL HGx% A 12 LEU HG 1.0 0.0 4.98 1380 1181 A 18 VAL HGx% A 12 LEU HDy% 1.0 0.0 3.62 1381 1182 A 18 VAL HGx% A 12 LEU HDx% 1.0 0.0 3.86 1382 1183 A 52 ILE HD1% A 18 VAL HGx% 1.0 0.0 4.51 1383 1184 A 28 MET HE% A 17 LYS HA 1.0 0.0 5.50 1384 1185 A 18 VAL HA A 28 MET HE% 1.0 0.0 4.36 1385 1186 A 28 MET HE% A 16 SER HA 1.0 0.0 5.50 1386 1187 A 28 MET HE% A 16 SER HBx 1.0 0.0 4.24 1387 1188 A 28 MET HE% A 16 SER HBy 1.0 0.0 4.35 1388 1189 A 28 MET HE% A 28 MET HGx 1.0 0.0 3.70 1389 1190 A 28 MET HE% A 28 MET HGy 1.0 0.0 3.66 1390 1191 A 28 MET HE% A 12 LEU HG 1.0 0.0 5.19 1391 1192 A 28 MET HE% A 12 LEU HDy% 1.0 0.0 3.09 1392 1193 A 28 MET HE% A 12 LEU HDx% 1.0 0.0 4.87 1393 1194 A 28 MET HE% A 44 MET HA 1.0 0.0 5.50 1394 1195 A 7 VAL HGx% A 21 PHE HA 1.0 0.0 4.99 1395 1196 A 7 VAL HGx% A 7 VAL HA 1.0 0.0 4.05 1396 1197 A 19 HIS HE1 A 31 LYS HDx 1.0 0.0 6.00 1397 1197 A 31 LYS HDy A 19 HIS HE1 1.0 0.0 6.00 1398 1198 A 19 HIS HE1 A 1 VAL HGy% 1.0 0.0 6.00 1399 1198 A 1 VAL HGx% A 19 HIS HE1 1.0 0.0 6.00 1400 1199 A 32 PHE HE% A 31 LYS HEx 1.0 0.0 4.00 1401 1199 A 31 LYS HEy A 32 PHE HE% 1.0 0.0 4.00 1402 1200 A 32 PHE HE% A 31 LYS HDx 1.0 0.0 4.00 1403 1200 A 31 LYS HDy A 32 PHE HE% 1.0 0.0 4.00 1404 1201 A 31 LYS HGx A 32 PHE HE% 1.0 0.0 6.00 1405 1202 A 31 LYS HGy A 32 PHE HE% 1.0 0.0 6.00 1406 1203 A 32 PHE HZ A 31 LYS HEx 1.0 0.0 4.00 1407 1203 A 31 LYS HEy A 32 PHE HZ 1.0 0.0 4.00 1408 1204 A 32 PHE HZ A 31 LYS HDx 1.0 0.0 4.00 1409 1204 A 31 LYS HDy A 32 PHE HZ 1.0 0.0 4.00 1410 1205 A 32 PHE HD% A 31 LYS HEx 1.0 0.0 6.00 1411 1205 A 32 PHE HD% A 31 LYS HEy 1.0 0.0 6.00 1412 1206 A 32 PHE HD% A 31 LYS HDx 1.0 0.0 4.00 1413 1206 A 32 PHE HD% A 31 LYS HDy 1.0 0.0 4.00 1414 1207 A 60 PHE HE% A 62 LEU HDx% 1.0 0.0 6.00 1415 1207 A 60 PHE HE% A 62 LEU HDy% 1.0 0.0 6.00 1416 1208 A 60 PHE HE% A 66 LEU HDx% 1.0 0.0 6.00 1417 1209 A 21 PHE HD% A 19 HIS HD2 1.0 0.0 6.00 1418 1210 A 21 PHE HD% A 26 MET HA 1.0 0.0 3.50 1419 1211 A 21 PHE HD% A 5 ASN HA 1.0 0.0 6.00 1420 1212 A 20 VAL HA A 21 PHE HD% 1.0 0.0 4.00 1421 1213 A 21 PHE HD% A 6 VAL HA 1.0 0.0 4.00 1422 1214 A 21 PHE HD% A 5 ASN HBx 1.0 0.0 4.00 1423 1215 A 21 PHE HD% A 5 ASN HBy 1.0 0.0 4.00 1424 1216 A 21 PHE HD% A 19 HIS HBy 1.0 0.0 6.00 1425 1217 A 21 PHE HD% A 20 VAL HGy% 1.0 0.0 6.00 1426 1217 A 21 PHE HD% A 20 VAL HGx% 1.0 0.0 6.00 1427 1218 A 21 PHE HD% A 62 LEU HDy% 1.0 0.0 6.00 1428 1219 A 21 PHE HD% A 1 VAL HGy% 1.0 0.0 4.00 1429 1219 A 21 PHE HD% A 1 VAL HGx% 1.0 0.0 4.00 1430 1220 A 21 PHE HD% A 7 VAL HGx% 1.0 0.0 6.00 1431 1221 A 21 PHE HD% A 6 VAL HGy% 1.0 0.0 6.00 1432 1222 A 21 PHE HD% A 6 VAL HGx% 1.0 0.0 3.50 1433 1223 A 21 PHE HZ A 62 LEU HDx% 1.0 0.0 6.00 1434 1223 A 62 LEU HDy% A 21 PHE HZ 1.0 0.0 6.00 1435 1224 A 21 PHE HZ A 1 VAL HGy% 1.0 0.0 4.00 1436 1224 A 1 VAL HGx% A 21 PHE HZ 1.0 0.0 4.00 1437 1225 A 19 HIS HBy A 21 PHE HE% 1.0 0.0 6.00 1438 1226 A 21 PHE HE% A 20 VAL HGx% 1.0 0.0 6.00 1439 1227 A 21 PHE HE% A 62 LEU HDx% 1.0 0.0 6.00 1440 1228 A 21 PHE HE% A 62 LEU HDy% 1.0 0.0 6.00 1441 1229 A 21 PHE HE% A 1 VAL HGy% 1.0 0.0 4.00 1442 1229 A 21 PHE HE% A 1 VAL HGx% 1.0 0.0 4.00 1443 1230 A 6 VAL HGx% A 21 PHE HE% 1.0 0.0 4.00 1444 1231 A 10 TYR HD% A 9 THR HA 1.0 0.0 6.00 1445 1232 A 10 TYR HD% A 46 THR HB 1.0 0.0 4.00 1446 1233 A 18 VAL HGy% A 10 TYR HD% 1.0 0.0 4.00 1447 1234 A 52 ILE HD1% A 10 TYR HD% 1.0 0.0 3.50 1448 1235 A 52 ILE HD1% A 10 TYR HE% 1.0 0.0 3.50 1449 1236 A 52 ILE HG21 A 10 TYR HE% 1.0 0.0 4.00 1450 1237 A 18 VAL HGy% A 10 TYR HE% 1.0 0.0 4.00 1451 1238 A 8 LYS HBy A 10 TYR HE% 1.0 0.0 4.00 1452 1239 A 10 TYR HE% A 8 LYS HDx 1.0 0.0 4.00 1453 1239 A 8 LYS HDy A 10 TYR HE% 1.0 0.0 4.00 1454 1240 A 8 LYS HBx A 10 TYR HE% 1.0 0.0 6.00 1455 1241 A 26 MET HE% A 10 TYR HE% 1.0 0.0 4.00 1456 1242 A 8 LYS HA A 10 TYR HE% 1.0 0.0 6.00 1457 1243 A 9 THR HA A 10 TYR HE% 1.0 0.0 6.00 1458 1244 A 19 HIS HD2 A 1 VAL HGy% 1.0 0.0 3.50 1459 1244 A 1 VAL HGx% A 19 HIS HD2 1.0 0.0 3.50 1460 1245 A 6 VAL HGx% A 19 HIS HD2 1.0 0.0 6.00 1461 1246 A 6 VAL HGy% A 19 HIS HD2 1.0 0.0 6.00 1462 1247 A 9 THR HB A 19 HIS HE1 1.0 0.0 6.00 1463 1248 A 9 THR HG2% A 19 HIS HE1 1.0 0.0 3.50 1464 1249 A 18 VAL HA A 19 HIS HD2 1.0 0.0 6.00 1465 1250 A 6 VAL HGx% A 21 PHE HZ 1.0 0.0 6.00 1466 1251 A 19 HIS HBy A 21 PHE HZ 1.0 0.0 6.00 1467 1252 A 19 HIS HD2 A 21 PHE HZ 1.0 0.0 6.00 1468 1253 A 19 HIS HD2 A 21 PHE HZ 1.0 0.0 6.00 1469 1254 A 20 VAL HA A 21 PHE HZ 1.0 0.0 6.00 1470 1255 A 28 MET HA A 19 HIS HD2 1.0 0.0 6.00 1471 1256 A 29 GLU HA A 19 HIS HD2 1.0 0.0 6.00 1472 1257 A 29 GLU HBy A 19 HIS HD2 1.0 0.0 4.00 1473 1258 A 29 GLU HBy A 19 HIS HE1 1.0 0.0 4.00 1474 1259 A 29 GLU HBx A 19 HIS HD2 1.0 0.0 6.00 1475 1260 A 29 GLU HGy A 19 HIS HD2 1.0 0.0 6.00 1476 1261 A 29 GLU HGx A 19 HIS HD2 1.0 0.0 6.00 1477 1262 A 32 PHE HA A 32 PHE HZ 1.0 0.0 6.00 1478 1263 A 19 HIS HD2 A 62 LEU HDx% 1.0 0.0 4.00 1479 1264 A 62 LEU HDy% A 19 HIS HD2 1.0 0.0 4.00 1480 1265 A 62 LEU HA A 21 PHE HZ 1.0 0.0 6.00 1481 1266 A 21 PHE HZ A 62 LEU HDx% 1.0 0.0 6.00 1482 1267 A 60 PHE HZ A 66 LEU HDx% 1.0 0.0 6.00 1483 1268 A 71 SER HA A 70 HIS HE1 1.0 0.0 6.00 1484 1269 A 26 MET HE% A 58 GLU HBx 1.0 0.0 3.90 1485 1269 A 26 MET HE% A 58 GLU HBy 1.0 0.0 3.90 1486 1270 A 7 VAL HGx% A 22 LYS HGx 1.0 0.0 6.00 1487 1270 A 7 VAL HGx% A 22 LYS HGy 1.0 0.0 6.00 1488 1271 A 44 MET HE% A 52 ILE HG13 1.0 0.0 6.00 1489 1271 A 44 MET HE% A 52 ILE HG12 1.0 0.0 6.00 1490 1272 A 43 VAL HGx% A 51 LYS HGx 1.0 0.0 3.90 1491 1272 A 43 VAL HGx% A 51 LYS HGy 1.0 0.0 3.90 1492 1273 A 6 VAL HGx% A 3 MET HE% 1.0 0.0 6.00 1493 1274 A 6 VAL HGy% A 3 MET HE% 1.0 0.0 6.00 1494 1275 A 6 VAL HGy% A 3 MET HE% 1.0 0.0 6.00 1495 1276 A 9 THR HG2% A 17 LYS HGy 1.0 0.0 6.00 1496 1277 A 9 THR HG2% A 17 LYS HGx 1.0 0.0 6.00 1497 1278 A 18 VAL HGx% A 12 LEU HDx% 1.0 0.0 6.00 1498 1279 A 18 VAL HGx% A 12 LEU HDy% 1.0 0.0 6.00 1499 1280 A 18 VAL HGy% A 20 VAL HGx% 1.0 0.0 6.00 1500 1281 A 18 VAL HGy% A 20 VAL HGy% 1.0 0.0 6.00 1501 1282 A 7 VAL HGx% A 22 LYS HGy 1.0 0.0 6.00 1502 1283 A 7 VAL HGx% A 22 LYS HGx 1.0 0.0 6.00 1503 1284 A 28 MET HE% A 12 LEU HDy% 1.0 0.0 6.00 1504 1285 A 28 MET HE% A 12 LEU HDy% 1.0 0.0 6.00 1505 1286 A 28 MET HE% A 20 VAL HGx% 1.0 0.0 6.00 1506 1287 A 28 MET HE% A 36 MET HE% 1.0 0.0 6.00 1507 1288 A 12 LEU HDy% A 38 MET HE% 1.0 0.0 6.00 1508 1289 A 28 MET HE% A 38 MET HE% 1.0 0.0 6.00 1509 1290 A 36 MET HE% A 38 MET HE% 1.0 0.0 6.00 1510 1291 A 18 VAL HGy% A 26 MET HE% 1.0 0.0 6.00 1511 1292 A 26 MET HE% A 20 VAL HGx% 1.0 0.0 6.00 1512 1293 A 26 MET HE% A 20 VAL HGy% 1.0 0.0 6.00 1513 1294 A 54 MET HE% A 26 MET HE% 1.0 0.0 6.00 1514 1295 A 46 THR HG2% A 12 LEU HDx% 1.0 0.0 6.00 1515 1296 A 43 VAL HGx% A 51 LYS HBy 1.0 0.0 6.00 1516 1297 A 43 VAL HGx% A 51 LYS HGy 1.0 0.0 6.00 1517 1298 A 52 ILE HD1% A 12 LEU HDx% 1.0 0.0 6.00 1518 1299 A 52 ILE HD1% A 18 VAL HGx% 1.0 0.0 6.00 1519 1300 A 52 ILE HG21 A 18 VAL HGx% 1.0 0.0 6.00 1520 1301 A 52 ILE HG21 A 18 VAL HGy% 1.0 0.0 6.00 1521 1302 A 52 ILE HD1% A 20 VAL HGy% 1.0 0.0 6.00 1522 1303 A 52 ILE HG21 A 20 VAL HGy% 1.0 0.0 6.00 1523 1304 A 52 ILE HD1% A 26 MET HE% 1.0 0.0 6.00 1524 1305 A 52 ILE HG21 A 26 MET HE% 1.0 0.0 6.00 1525 1306 A 52 ILE HD1% A 46 THR HG2% 1.0 0.0 6.00 1526 1307 A 53 ILE HD1% A 43 VAL HGy% 1.0 0.0 6.00 1527 1308 A 43 VAL HGy% A 53 ILE HG21 1.0 0.0 6.00 1528 1309 A 44 MET HE% A 18 VAL HGy% 1.0 0.0 6.00 1529 1310 A 44 MET HE% A 26 MET HE% 1.0 0.0 6.00 1530 1311 A 44 MET HE% A 52 ILE HD1% 1.0 0.0 6.00 1531 1312 A 44 MET HE% A 52 ILE HG21 1.0 0.0 3.90 1532 1313 A 26 MET HE% A 58 GLU HBy 1.0 0.0 6.00 1533 1314 A 26 MET HE% A 58 GLU HBx 1.0 0.0 6.00 1534 1315 A 65 ALA HB% A 62 LEU HDx% 1.0 0.0 6.00 1535 1316 A 65 ALA HB% A 66 LEU HDx% 1.0 0.0 6.00 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 3 MET C A 4 SER N A 4 SER CA A 4 SER C 1.0 -98.0 -38.0 PHI 2 2 A 4 SER N A 4 SER CA A 4 SER C A 5 ASN N 1.0 -50.0 10.0 PSI 3 3 A 6 VAL C A 7 VAL N A 7 VAL CA A 7 VAL C 1.0 -122.0 -62.0 PHI 4 4 A 7 VAL N A 7 VAL CA A 7 VAL C A 8 LYS N 1.0 -58.0 2.0 PSI 5 5 A 7 VAL C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -169.0 -109.0 PHI 6 6 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 THR N 1.0 111.0 171.0 PSI 7 7 A 8 LYS C A 9 THR N A 9 THR CA A 9 THR C 1.0 -148.0 -88.0 PHI 8 8 A 9 THR N A 9 THR CA A 9 THR C A 10 TYR N 1.0 100.0 160.0 PSI 9 9 A 9 THR C A 10 TYR N A 10 TYR CA A 10 TYR C 1.0 -149.0 -89.0 PHI 10 10 A 10 TYR N A 10 TYR CA A 10 TYR C A 11 ASP N 1.0 105.0 165.0 PSI 11 11 A 12 LEU C A 13 GLN N A 13 GLN CA A 13 GLN C 1.0 -94.0 -34.0 PHI 12 12 A 13 GLN N A 13 GLN CA A 13 GLN C A 14 ASP N 1.0 -55.0 5.0 PSI 13 13 A 13 GLN C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -116.0 -56.0 PHI 14 14 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 GLY N 1.0 -28.0 32.0 PSI 15 15 A 14 ASP C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 63.0 123.0 PHI 16 16 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 SER N 1.0 -33.0 27.0 PSI 17 17 A 16 SER C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -164.0 -104.0 PHI 18 18 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 VAL N 1.0 129.0 189.0 PSI 19 19 A 17 LYS C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -165.0 -105.0 PHI 20 20 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 HIS N 1.0 105.0 165.0 PSI 21 21 A 18 VAL C A 19 HIS N A 19 HIS CA A 19 HIS C 1.0 -161.0 -101.0 PHI 22 22 A 19 HIS N A 19 HIS CA A 19 HIS C A 20 VAL N 1.0 102.0 162.0 PSI 23 23 A 19 HIS C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -141.0 -81.0 PHI 24 24 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 PHE N 1.0 89.0 149.0 PSI 25 25 A 20 VAL C A 21 PHE N A 21 PHE CA A 21 PHE C 1.0 -119.0 -59.0 PHI 26 26 A 21 PHE N A 21 PHE CA A 21 PHE C A 22 LYS N 1.0 124.0 184.0 PSI 27 27 A 21 PHE C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -91.0 -31.0 PHI 28 28 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 ASP N 1.0 -55.0 5.0 PSI 29 29 A 22 LYS C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -117.0 -57.0 PHI 30 30 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 GLY N 1.0 -25.0 35.0 PSI 31 31 A 23 ASP C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 61.0 121.0 PHI 32 32 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 LYS N 1.0 -30.0 30.0 PSI 33 33 A 25 LYS C A 26 MET N A 26 MET CA A 26 MET C 1.0 -159.0 -99.0 PHI 34 34 A 26 MET N A 26 MET CA A 26 MET C A 27 GLY N 1.0 120.0 180.0 PSI 35 35 A 27 GLY C A 28 MET N A 28 MET CA A 28 MET C 1.0 -137.0 -77.0 PHI 36 36 A 28 MET N A 28 MET CA A 28 MET C A 29 GLU N 1.0 102.0 162.0 PSI 37 37 A 28 MET C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -163.0 -103.0 PHI 38 38 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 ASN N 1.0 115.0 175.0 PSI 39 39 A 30 ASN C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -95.0 -35.0 PHI 40 40 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 PHE N 1.0 -42.0 18.0 PSI 41 41 A 33 GLY C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -139.0 -79.0 PHI 42 42 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 SER N 1.0 114.0 174.0 PSI 43 43 A 35 SER C A 36 MET N A 36 MET CA A 36 MET C 1.0 -163.0 -103.0 PHI 44 44 A 36 MET N A 36 MET CA A 36 MET C A 37 ASN N 1.0 108.0 168.0 PSI 45 45 A 36 MET C A 37 ASN N A 37 ASN CA A 37 ASN C 1.0 -151.0 -91.0 PHI 46 46 A 37 ASN N A 37 ASN CA A 37 ASN C A 38 MET N 1.0 106.0 166.0 PSI 47 47 A 37 ASN C A 38 MET N A 38 MET CA A 38 MET C 1.0 -155.0 -95.0 PHI 48 48 A 38 MET N A 38 MET CA A 38 MET C A 39 PRO N 1.0 111.0 171.0 PSI 49 49 A 41 GLY C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -107.0 -47.0 PHI 50 50 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 VAL N 1.0 102.0 162.0 PSI 51 51 A 43 VAL C A 44 MET N A 44 MET CA A 44 MET C 1.0 -147.0 -87.0 PHI 52 52 A 44 MET N A 44 MET CA A 44 MET C A 45 GLU N 1.0 105.0 165.0 PSI 53 53 A 44 MET C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -146.0 -86.0 PHI 54 54 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 THR N 1.0 103.0 163.0 PSI 55 55 A 45 GLU C A 46 THR N A 46 THR CA A 46 THR C 1.0 -119.0 -59.0 PHI 56 56 A 46 THR N A 46 THR CA A 46 THR C A 47 ARG N 1.0 145.0 205.0 PSI 57 57 A 46 THR C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -92.0 -32.0 PHI 58 58 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 ASP N 1.0 -52.0 8.0 PSI 59 59 A 47 ARG C A 48 ASP N A 48 ASP CA A 48 ASP C 1.0 -123.0 -63.0 PHI 60 60 A 48 ASP N A 48 ASP CA A 48 ASP C A 49 GLY N 1.0 -29.0 31.0 PSI 61 61 A 49 GLY C A 50 THR N A 50 THR CA A 50 THR C 1.0 -115.0 -55.0 PHI 62 62 A 50 THR N A 50 THR CA A 50 THR C A 51 LYS N 1.0 106.0 166.0 PSI 63 63 A 50 THR C A 51 LYS N A 51 LYS CA A 51 LYS C 1.0 -136.0 -76.0 PHI 64 64 A 51 LYS N A 51 LYS CA A 51 LYS C A 52 ILE N 1.0 96.0 156.0 PSI 65 65 A 51 LYS C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -151.0 -91.0 PHI 66 66 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 ILE N 1.0 101.0 161.0 PSI 67 67 A 52 ILE C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -122.0 -62.0 PHI 68 68 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 MET N 1.0 99.0 159.0 PSI 69 69 A 56 GLY C A 57 ASN N A 57 ASN CA A 57 ASN C 1.0 -116.0 -56.0 PHI 70 70 A 57 ASN N A 57 ASN CA A 57 ASN C A 58 GLU N 1.0 -47.0 13.0 PSI 71 71 A 59 ILE C A 60 PHE N A 60 PHE CA A 60 PHE C 1.0 -102.0 -42.0 PHI 72 72 A 60 PHE N A 60 PHE CA A 60 PHE C A 61 ARG N 1.0 -62.0 -2.0 PSI 73 73 A 63 ASP C A 64 GLU N A 64 GLU CA A 64 GLU C 1.0 -91.0 -31.0 PHI 74 74 A 64 GLU N A 64 GLU CA A 64 GLU C A 65 ALA N 1.0 -72.0 -12.0 PSI 75 75 A 64 GLU C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -92.0 -32.0 PHI 76 76 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 LEU N 1.0 -71.0 -11.0 PSI 77 77 A 65 ALA C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -104.0 -44.0 PHI 78 78 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 ARG N 1.0 -57.0 3.0 PSI stop_ save_