data_nef_c34184_6eqy 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6EQY stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 2 ALA start . . 2 A 3 MET middle . . 3 A 4 GLY middle . false 4 A 5 SER middle . . 5 A 6 GLU middle . . 6 A 7 THR middle . . 7 A 8 ALA middle . . 8 A 9 SER middle . . 9 A 10 GLY middle . false 10 A 11 VAL middle . . 11 A 12 ASP middle . . 12 A 13 VAL middle . . 13 A 14 GLY middle . false 14 A 15 GLY middle . false 15 A 16 GLN middle . . 16 A 17 HIS middle . . 17 A 18 GLU middle . . 18 A 19 TRP middle . . 19 A 20 GLY middle . false 20 A 21 GLU middle . . 21 A 22 LEU middle . . 22 A 23 VAL middle . . 23 A 24 GLN middle . . 24 A 25 LEU middle . . 25 A 26 ASP middle . . 26 A 27 PRO middle . false 27 A 28 GLN middle . . 28 A 29 THR middle . . 29 A 30 VAL middle . . 30 A 31 GLY middle . false 31 A 32 VAL middle . . 32 A 33 ILE middle . . 33 A 34 VAL middle . . 34 A 35 ARG middle . . 35 A 36 LEU middle . . 36 A 37 GLU middle . . 37 A 38 ARG middle . . 38 A 39 GLU middle . . 39 A 40 THR middle . . 40 A 41 PHE middle . . 41 A 42 GLN middle . . 42 A 43 VAL middle . . 43 A 44 LEU middle . . 44 A 45 ASN middle . . 45 A 46 MET middle . . 46 A 47 TYR middle . . 47 A 48 GLY middle . false 48 A 49 LYS middle . . 49 A 50 VAL middle . . 50 A 51 VAL middle . . 51 A 52 THR middle . . 52 A 53 VAL middle . . 53 A 54 ARG middle . . 54 A 55 HIS middle . . 55 A 56 GLN middle . . 56 A 57 ALA middle . . 57 A 58 VAL middle . . 58 A 59 THR middle . . 59 A 60 ARG middle . . 60 A 61 LYS middle . . 61 A 62 LYS middle . . 62 A 63 ASP middle . . 63 A 64 ASN middle . . 64 A 65 ARG middle . . 65 A 66 PHE middle . . 66 A 67 ALA middle . . 67 A 68 VAL middle . . 68 A 69 ALA middle . . 69 A 70 LEU middle . . 70 A 71 ASP middle . . 71 A 72 SER middle . . 72 A 73 GLU middle . . 73 A 74 GLN middle . . 74 A 75 ASN middle . . 75 A 76 ASN middle . . 76 A 77 ILE middle . . 77 A 78 HIS middle . . 78 A 79 VAL middle . . 79 A 80 LYS middle . . 80 A 81 ASP middle . . 81 A 82 ILE middle . . 82 A 83 VAL middle . . 83 A 84 LYS middle . . 84 A 85 VAL middle . . 85 A 86 ILE middle . . 86 A 87 ASP middle . . 87 A 88 GLY middle . false 88 A 89 PRO middle . false 89 A 90 HIS middle . . 90 A 91 SER middle . . 91 A 92 GLY middle . false 92 A 93 ARG middle . . 93 A 94 GLU middle . . 94 A 95 GLY middle . false 95 A 96 GLU middle . . 96 A 97 ILE middle . . 97 A 98 ARG middle . . 98 A 99 HIS middle . . 99 A 100 LEU middle . . 100 A 101 PHE middle . . 101 A 102 ARG middle . . 102 A 103 SER middle . . 103 A 104 PHE middle . . 104 A 105 ALA middle . . 105 A 106 PHE middle . . 106 A 107 LEU middle . . 107 A 108 HIS middle . . 108 A 109 CYS middle . . 109 A 110 LYS middle . . 110 A 111 LYS middle . . 111 A 112 LEU middle . . 112 A 113 VAL middle . . 113 A 114 GLU middle . . 114 A 115 ASN middle . . 115 A 116 GLY middle . false 116 A 117 GLY middle . false 117 A 118 MET middle . . 118 A 119 PHE middle . . 119 A 120 VAL middle . . 120 A 121 CYS middle . . 121 A 122 LYS middle . . 122 A 123 THR middle . . 123 A 124 ARG middle . . 124 A 125 HIS middle . . 125 A 126 LEU middle . . 126 A 127 VAL middle . . 127 A 128 LEU middle . . 128 A 129 ALA middle . . 129 A 130 GLY end . false stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 3 MET HA H 1 4.50 0.03 A 3 MET HBy H 1 2.12 0.03 A 3 MET HBx H 1 2.05 0.03 A 3 MET HE% H 1 2.10 0.03 A 3 MET CA C 13 55.68 0.20 A 3 MET CB C 13 32.12 0.20 A 3 MET CE C 13 16.89 0.20 A 3 MET CG C 13 32.12 0.20 A 4 GLY H H 1 8.53 0.03 A 4 GLY HAx H 1 4.03 0.03 A 4 GLY HAy H 1 4.03 0.03 A 4 GLY C C 13 174.33 0.20 A 4 GLY CA C 13 45.40 0.20 A 4 GLY N N 15 110.88 0.20 A 5 SER H H 1 8.25 0.03 A 5 SER HA H 1 3.89 0.03 A 5 SER HBx H 1 4.48 0.03 A 5 SER HBy H 1 4.48 0.03 A 5 SER C C 13 174.86 0.20 A 5 SER CA C 13 58.49 0.20 A 5 SER CB C 13 63.99 0.20 A 5 SER N N 15 115.70 0.20 A 6 GLU H H 1 8.70 0.03 A 6 GLU HA H 1 4.37 0.03 A 6 GLU HBy H 1 2.11 0.03 A 6 GLU HBx H 1 1.98 0.03 A 6 GLU HGy H 1 2.32 0.03 A 6 GLU HGx H 1 2.28 0.03 A 6 GLU C C 13 176.85 0.20 A 6 GLU CA C 13 57.03 0.20 A 6 GLU CB C 13 30.10 0.20 A 6 GLU CG C 13 36.28 0.20 A 6 GLU N N 15 122.96 0.20 A 7 THR H H 1 8.17 0.03 A 7 THR HA H 1 4.33 0.03 A 7 THR HB H 1 4.22 0.03 A 7 THR HG2% H 1 1.21 0.03 A 7 THR C C 13 174.46 0.20 A 7 THR CA C 13 61.91 0.20 A 7 THR CB C 13 69.88 0.20 A 7 THR CG2 C 13 21.63 0.20 A 7 THR N N 15 114.86 0.20 A 8 ALA H H 1 8.34 0.03 A 8 ALA HA H 1 4.39 0.03 A 8 ALA HB% H 1 1.42 0.03 A 8 ALA C C 13 177.74 0.20 A 8 ALA CA C 13 52.63 0.20 A 8 ALA CB C 13 19.26 0.20 A 8 ALA N N 15 126.83 0.20 A 9 SER H H 1 8.35 0.03 A 9 SER HA H 1 4.46 0.03 A 9 SER HBx H 1 3.89 0.03 A 9 SER HBy H 1 3.89 0.03 A 9 SER C C 13 175.15 0.20 A 9 SER CA C 13 58.53 0.20 A 9 SER CB C 13 64.00 0.20 A 9 SER N N 15 115.25 0.20 A 10 GLY H H 1 8.40 0.03 A 10 GLY HAx H 1 4.02 0.03 A 10 GLY HAy H 1 4.02 0.03 A 10 GLY C C 13 174.11 0.20 A 10 GLY CA C 13 45.44 0.20 A 10 GLY N N 15 110.93 0.20 A 11 VAL H H 1 7.93 0.03 A 11 VAL HA H 1 4.13 0.03 A 11 VAL HB H 1 2.07 0.03 A 11 VAL HGx% H 1 0.90 0.03 A 11 VAL HGy% H 1 0.90 0.03 A 11 VAL C C 13 175.79 0.20 A 11 VAL CA C 13 62.20 0.20 A 11 VAL CB C 13 32.91 0.20 A 11 VAL CGx C 13 20.92 0.20 A 11 VAL CGy C 13 20.92 0.20 A 11 VAL N N 15 118.71 0.20 A 12 ASP H H 1 8.48 0.03 A 12 ASP HA H 1 4.67 0.03 A 12 ASP HBy H 1 2.76 0.03 A 12 ASP HBx H 1 2.61 0.03 A 12 ASP C C 13 176.53 0.20 A 12 ASP CA C 13 54.20 0.20 A 12 ASP CB C 13 41.25 0.20 A 12 ASP N N 15 124.13 0.20 A 13 VAL H H 1 8.17 0.03 A 13 VAL HA H 1 4.15 0.03 A 13 VAL HB H 1 2.18 0.03 A 13 VAL HGx% H 1 0.92 0.03 A 13 VAL HGy% H 1 0.92 0.03 A 13 VAL C C 13 177.01 0.20 A 13 VAL CA C 13 62.55 0.20 A 13 VAL CB C 13 32.36 0.20 A 13 VAL CGx C 13 20.14 0.20 A 13 VAL CGy C 13 21.32 0.20 A 13 VAL N N 15 120.38 0.20 A 14 GLY H H 1 8.52 0.03 A 14 GLY HAx H 1 3.94 0.03 A 14 GLY HAy H 1 3.94 0.03 A 14 GLY C C 13 174.80 0.20 A 14 GLY CA C 13 45.58 0.20 A 14 GLY N N 15 111.60 0.20 A 15 GLY H H 1 8.21 0.03 A 15 GLY HAx H 1 3.90 0.03 A 15 GLY HAy H 1 3.90 0.03 A 15 GLY C C 13 174.06 0.20 A 15 GLY CA C 13 45.30 0.20 A 15 GLY N N 15 108.41 0.20 A 16 GLN H H 1 8.17 0.03 A 16 GLN HA H 1 4.26 0.03 A 16 GLN HBy H 1 2.03 0.03 A 16 GLN HBx H 1 1.88 0.03 A 16 GLN HGx H 1 2.28 0.03 A 16 GLN HGy H 1 2.28 0.03 A 16 GLN C C 13 175.66 0.20 A 16 GLN CA C 13 55.69 0.20 A 16 GLN CB C 13 29.50 0.20 A 16 GLN CG C 13 35.74 0.20 A 16 GLN N N 15 119.28 0.20 A 17 HIS H H 1 8.22 0.03 A 17 HIS HA H 1 4.89 0.03 A 17 HIS HBx H 1 2.44 0.03 A 17 HIS HBy H 1 2.59 0.03 A 17 HIS HD2 H 1 7.09 0.03 A 17 HIS C C 13 174.11 0.20 A 17 HIS CA C 13 55.66 0.20 A 17 HIS CB C 13 31.69 0.20 A 17 HIS N N 15 119.76 0.20 A 18 GLU H H 1 8.13 0.03 A 18 GLU HA H 1 4.63 0.03 A 18 GLU HBy H 1 2.09 0.03 A 18 GLU HBx H 1 1.87 0.03 A 18 GLU HGx H 1 2.18 0.03 A 18 GLU HGy H 1 2.18 0.03 A 18 GLU C C 13 174.70 0.20 A 18 GLU CA C 13 54.26 0.20 A 18 GLU CB C 13 33.45 0.20 A 18 GLU CG C 13 36.04 0.20 A 18 GLU N N 15 118.21 0.20 A 19 TRP H H 1 8.87 0.03 A 19 TRP HA H 1 3.44 0.03 A 19 TRP HBy H 1 3.20 0.03 A 19 TRP HBx H 1 3.09 0.03 A 19 TRP HD1 H 1 6.93 0.03 A 19 TRP HE1 H 1 9.50 0.03 A 19 TRP HE3 H 1 7.28 0.03 A 19 TRP HH2 H 1 7.00 0.03 A 19 TRP HZ2 H 1 7.76 0.03 A 19 TRP HZ3 H 1 6.87 0.03 A 19 TRP C C 13 178.11 0.20 A 19 TRP CA C 13 61.74 0.20 A 19 TRP CB C 13 28.90 0.20 A 19 TRP CD1 C 13 126.19 0.20 A 19 TRP CH2 C 13 124.89 0.20 A 19 TRP CZ2 C 13 114.65 0.20 A 19 TRP CZ3 C 13 121.68 0.20 A 19 TRP N N 15 121.09 0.20 A 19 TRP NE1 N 15 128.33 0.20 A 20 GLY H H 1 8.05 0.03 A 20 GLY HAx H 1 2.40 0.03 A 20 GLY HAy H 1 3.52 0.03 A 20 GLY C C 13 172.75 0.20 A 20 GLY CA C 13 45.53 0.20 A 20 GLY N N 15 116.47 0.20 A 21 GLU H H 1 7.13 0.03 A 21 GLU HA H 1 4.11 0.03 A 21 GLU HBy H 1 2.11 0.03 A 21 GLU HBx H 1 1.83 0.03 A 21 GLU HGy H 1 2.17 0.03 A 21 GLU HGx H 1 2.08 0.03 A 21 GLU C C 13 174.20 0.20 A 21 GLU CA C 13 55.94 0.20 A 21 GLU CB C 13 31.68 0.20 A 21 GLU CG C 13 35.24 0.20 A 21 GLU N N 15 121.00 0.20 A 22 LEU H H 1 8.11 0.03 A 22 LEU HA H 1 4.15 0.03 A 22 LEU HBx H 1 -0.43 0.03 A 22 LEU HBy H 1 1.48 0.03 A 22 LEU HDx% H 1 0.52 0.03 A 22 LEU HDy% H 1 -0.05 0.03 A 22 LEU HG H 1 0.81 0.03 A 22 LEU C C 13 175.83 0.20 A 22 LEU CA C 13 53.90 0.20 A 22 LEU CB C 13 41.74 0.20 A 22 LEU CDy C 13 26.21 0.20 A 22 LEU CDx C 13 23.49 0.20 A 22 LEU CG C 13 26.50 0.20 A 22 LEU N N 15 126.02 0.20 A 23 VAL H H 1 8.96 0.03 A 23 VAL HA H 1 4.85 0.03 A 23 VAL HB H 1 1.70 0.03 A 23 VAL HGx% H 1 0.48 0.03 A 23 VAL HGy% H 1 0.25 0.03 A 23 VAL C C 13 173.93 0.20 A 23 VAL CA C 13 58.02 0.20 A 23 VAL CB C 13 35.70 0.20 A 23 VAL CGy C 13 22.35 0.20 A 23 VAL CGx C 13 18.25 0.20 A 23 VAL N N 15 118.14 0.20 A 24 GLN H H 1 8.93 0.03 A 24 GLN HA H 1 4.33 0.03 A 24 GLN HBy H 1 2.05 0.03 A 24 GLN HBx H 1 1.77 0.03 A 24 GLN HE21 H 1 7.60 0.03 A 24 GLN HE22 H 1 6.67 0.03 A 24 GLN HGx H 1 2.17 0.03 A 24 GLN HGy H 1 2.17 0.03 A 24 GLN C C 13 176.16 0.20 A 24 GLN CA C 13 55.10 0.20 A 24 GLN CB C 13 29.87 0.20 A 24 GLN CG C 13 33.72 0.20 A 24 GLN N N 15 121.31 0.20 A 24 GLN NE2 N 15 112.40 0.20 A 25 LEU H H 1 8.51 0.03 A 25 LEU HA H 1 4.39 0.03 A 25 LEU HBy H 1 1.62 0.03 A 25 LEU HBx H 1 1.29 0.03 A 25 LEU HDx% H 1 0.73 0.03 A 25 LEU HDy% H 1 0.68 0.03 A 25 LEU HG H 1 1.27 0.03 A 25 LEU C C 13 176.20 0.20 A 25 LEU CA C 13 56.45 0.20 A 25 LEU CB C 13 43.45 0.20 A 25 LEU CDx C 13 23.94 0.20 A 25 LEU CDy C 13 25.60 0.20 A 25 LEU CG C 13 28.00 0.20 A 25 LEU N N 15 128.04 0.20 A 26 ASP H H 1 8.36 0.03 A 26 ASP HA H 1 4.73 0.03 A 26 ASP HBy H 1 3.16 0.03 A 26 ASP HBx H 1 3.00 0.03 A 26 ASP CA C 13 53.19 0.20 A 26 ASP CB C 13 39.42 0.20 A 26 ASP N N 15 117.08 0.20 A 27 PRO HA H 1 4.28 0.03 A 27 PRO HBy H 1 2.46 0.03 A 27 PRO HBx H 1 1.92 0.03 A 27 PRO HDy H 1 3.87 0.03 A 27 PRO HDx H 1 3.67 0.03 A 27 PRO HGy H 1 2.19 0.03 A 27 PRO HGx H 1 1.93 0.03 A 27 PRO C C 13 176.59 0.20 A 27 PRO CA C 13 66.38 0.20 A 27 PRO CB C 13 32.06 0.20 A 27 PRO CD C 13 50.87 0.20 A 27 PRO CG C 13 28.13 0.20 A 28 GLN H H 1 8.17 0.03 A 28 GLN HA H 1 4.70 0.03 A 28 GLN HBx H 1 2.05 0.03 A 28 GLN HBy H 1 2.38 0.03 A 28 GLN HGx H 1 2.40 0.03 A 28 GLN HGy H 1 2.40 0.03 A 28 GLN C C 13 176.12 0.20 A 28 GLN CA C 13 55.53 0.20 A 28 GLN CB C 13 31.16 0.20 A 28 GLN CG C 13 34.18 0.20 A 28 GLN N N 15 111.85 0.20 A 29 THR H H 1 7.74 0.03 A 29 THR HA H 1 4.72 0.03 A 29 THR HB H 1 3.74 0.03 A 29 THR HG2% H 1 1.33 0.03 A 29 THR C C 13 173.49 0.20 A 29 THR CA C 13 63.65 0.20 A 29 THR CB C 13 69.83 0.20 A 29 THR CG2 C 13 21.43 0.20 A 29 THR N N 15 116.41 0.20 A 30 VAL H H 1 7.37 0.03 A 30 VAL HA H 1 5.17 0.03 A 30 VAL HB H 1 1.77 0.03 A 30 VAL HGx% H 1 0.12 0.03 A 30 VAL HGy% H 1 0.34 0.03 A 30 VAL C C 13 174.82 0.20 A 30 VAL CA C 13 58.23 0.20 A 30 VAL CB C 13 34.45 0.20 A 30 VAL CGy C 13 20.20 0.20 A 30 VAL CGx C 13 19.60 0.20 A 30 VAL N N 15 119.47 0.20 A 31 GLY H H 1 8.48 0.03 A 31 GLY HAx H 1 3.28 0.03 A 31 GLY HAy H 1 4.43 0.03 A 31 GLY C C 13 169.50 0.20 A 31 GLY CA C 13 46.49 0.20 A 31 GLY N N 15 106.44 0.20 A 32 VAL H H 1 8.26 0.03 A 32 VAL HA H 1 5.05 0.03 A 32 VAL HB H 1 1.11 0.03 A 32 VAL HGx% H 1 0.04 0.03 A 32 VAL HGy% H 1 0.25 0.03 A 32 VAL C C 13 175.63 0.20 A 32 VAL CA C 13 57.39 0.20 A 32 VAL CB C 13 34.88 0.20 A 32 VAL CGy C 13 21.89 0.20 A 32 VAL CGx C 13 21.22 0.20 A 32 VAL N N 15 114.00 0.20 A 33 ILE H H 1 7.97 0.03 A 33 ILE HA H 1 3.67 0.03 A 33 ILE HB H 1 1.48 0.03 A 33 ILE HD1% H 1 -0.27 0.03 A 33 ILE HG1x H 1 0.09 0.03 A 33 ILE HG1y H 1 1.31 0.03 A 33 ILE HG2% H 1 0.46 0.03 A 33 ILE C C 13 175.91 0.20 A 33 ILE CA C 13 63.95 0.20 A 33 ILE CB C 13 38.09 0.20 A 33 ILE CD1 C 13 12.35 0.20 A 33 ILE CG2 C 13 17.65 0.20 A 33 ILE N N 15 124.92 0.20 A 34 VAL H H 1 8.80 0.03 A 34 VAL HA H 1 4.46 0.03 A 34 VAL HB H 1 2.48 0.03 A 34 VAL HGx% H 1 0.77 0.03 A 34 VAL HGy% H 1 0.68 0.03 A 34 VAL C C 13 176.80 0.20 A 34 VAL CA C 13 60.53 0.20 A 34 VAL CB C 13 33.28 0.20 A 34 VAL CGy C 13 23.25 0.20 A 34 VAL CGx C 13 18.40 0.20 A 34 VAL N N 15 118.72 0.20 A 35 ARG H H 1 7.77 0.03 A 35 ARG HA H 1 4.68 0.03 A 35 ARG HBy H 1 2.00 0.03 A 35 ARG HBx H 1 1.66 0.03 A 35 ARG HDx H 1 3.27 0.03 A 35 ARG HDy H 1 3.27 0.03 A 35 ARG HGy H 1 1.86 0.03 A 35 ARG HGx H 1 1.63 0.03 A 35 ARG C C 13 174.44 0.20 A 35 ARG CA C 13 58.16 0.20 A 35 ARG CB C 13 34.58 0.20 A 35 ARG CD C 13 43.62 0.20 A 35 ARG CG C 13 28.08 0.20 A 35 ARG N N 15 121.74 0.20 A 36 LEU H H 1 9.37 0.03 A 36 LEU HA H 1 4.94 0.03 A 36 LEU HBx H 1 1.90 0.03 A 36 LEU HBy H 1 1.90 0.03 A 36 LEU HDx% H 1 1.02 0.03 A 36 LEU HDy% H 1 0.85 0.03 A 36 LEU HG H 1 1.68 0.03 A 36 LEU C C 13 175.29 0.20 A 36 LEU CA C 13 56.66 0.20 A 36 LEU CB C 13 41.94 0.20 A 36 LEU CDy C 13 25.96 0.20 A 36 LEU CDx C 13 25.86 0.20 A 36 LEU CG C 13 28.98 0.20 A 36 LEU N N 15 129.12 0.20 A 37 GLU H H 1 7.92 0.03 A 37 GLU HA H 1 4.89 0.03 A 37 GLU HBx H 1 2.24 0.03 A 37 GLU HBy H 1 2.24 0.03 A 37 GLU HGx H 1 2.13 0.03 A 37 GLU HGy H 1 2.13 0.03 A 37 GLU C C 13 176.83 0.20 A 37 GLU CA C 13 54.55 0.20 A 37 GLU CB C 13 31.69 0.20 A 37 GLU CG C 13 37.43 0.20 A 37 GLU N N 15 121.85 0.20 A 38 ARG H H 1 8.58 0.03 A 38 ARG HA H 1 4.07 0.03 A 38 ARG HBy H 1 1.93 0.03 A 38 ARG HBx H 1 1.84 0.03 A 38 ARG HDy H 1 3.30 0.03 A 38 ARG HDx H 1 3.25 0.03 A 38 ARG HGy H 1 1.74 0.03 A 38 ARG HGx H 1 1.62 0.03 A 38 ARG CA C 13 60.45 0.20 A 38 ARG CB C 13 30.20 0.20 A 38 ARG CD C 13 43.21 0.20 A 38 ARG CG C 13 27.58 0.20 A 38 ARG N N 15 121.79 0.20 A 39 GLU H H 1 8.70 0.03 A 39 GLU HA H 1 3.98 0.03 A 39 GLU HBy H 1 2.03 0.03 A 39 GLU HBx H 1 1.81 0.03 A 39 GLU HGx H 1 2.08 0.03 A 39 GLU HGy H 1 2.08 0.03 A 39 GLU C C 13 175.82 0.20 A 39 GLU CA C 13 55.50 0.20 A 39 GLU CB C 13 32.19 0.20 A 39 GLU CG C 13 36.76 0.20 A 39 GLU N N 15 112.02 0.20 A 40 THR H H 1 6.74 0.03 A 40 THR HA H 1 4.81 0.03 A 40 THR HB H 1 4.07 0.03 A 40 THR HG2% H 1 0.81 0.03 A 40 THR C C 13 173.84 0.20 A 40 THR CA C 13 58.96 0.20 A 40 THR CB C 13 73.46 0.20 A 40 THR CG2 C 13 21.85 0.20 A 40 THR N N 15 108.21 0.20 A 41 PHE H H 1 9.31 0.03 A 41 PHE HA H 1 5.59 0.03 A 41 PHE HBx H 1 2.44 0.03 A 41 PHE HBy H 1 3.16 0.03 A 41 PHE HD1 H 1 7.05 0.03 A 41 PHE HD2 H 1 7.05 0.03 A 41 PHE HE1 H 1 6.90 0.03 A 41 PHE HE2 H 1 6.90 0.03 A 41 PHE HZ H 1 6.62 0.03 A 41 PHE C C 13 176.46 0.20 A 41 PHE CA C 13 54.97 0.20 A 41 PHE CB C 13 43.02 0.20 A 41 PHE CD1 C 13 130.62 0.20 A 41 PHE CD2 C 13 130.62 0.20 A 41 PHE CE1 C 13 130.79 0.20 A 41 PHE CE2 C 13 130.70 0.20 A 41 PHE CZ C 13 128.63 0.20 A 41 PHE N N 15 115.92 0.20 A 42 GLN H H 1 8.48 0.03 A 42 GLN HA H 1 5.24 0.03 A 42 GLN HBy H 1 1.90 0.03 A 42 GLN HBx H 1 1.77 0.03 A 42 GLN HGx H 1 2.28 0.03 A 42 GLN HGy H 1 2.28 0.03 A 42 GLN C C 13 176.11 0.20 A 42 GLN CA C 13 54.93 0.20 A 42 GLN CB C 13 29.68 0.20 A 42 GLN CG C 13 33.82 0.20 A 42 GLN N N 15 117.26 0.20 A 43 VAL H H 1 9.56 0.03 A 43 VAL HA H 1 4.55 0.03 A 43 VAL HB H 1 1.77 0.03 A 43 VAL HGx% H 1 0.36 0.03 A 43 VAL HGy% H 1 0.60 0.03 A 43 VAL C C 13 173.77 0.20 A 43 VAL CA C 13 59.93 0.20 A 43 VAL CB C 13 34.84 0.20 A 43 VAL CGx C 13 21.51 0.20 A 43 VAL CGy C 13 22.21 0.20 A 43 VAL N N 15 125.82 0.20 A 44 LEU H H 1 8.89 0.03 A 44 LEU HA H 1 4.70 0.03 A 44 LEU HBy H 1 1.88 0.03 A 44 LEU HBx H 1 1.12 0.03 A 44 LEU HDx% H 1 0.84 0.03 A 44 LEU HDy% H 1 0.84 0.03 A 44 LEU HG H 1 1.68 0.03 A 44 LEU C C 13 175.24 0.20 A 44 LEU CA C 13 53.42 0.20 A 44 LEU CB C 13 43.92 0.20 A 44 LEU CDx C 13 23.49 0.20 A 44 LEU CDy C 13 23.49 0.20 A 44 LEU CG C 13 27.06 0.20 A 44 LEU N N 15 129.57 0.20 A 45 ASN H H 1 9.57 0.03 A 45 ASN HA H 1 5.00 0.03 A 45 ASN HBy H 1 2.90 0.03 A 45 ASN HBx H 1 2.51 0.03 A 45 ASN CA C 13 51.57 0.20 A 45 ASN CB C 13 39.17 0.20 A 45 ASN N N 15 126.59 0.20 A 46 MET H H 1 7.45 0.03 A 46 MET HA H 1 3.72 0.03 A 46 MET HBx H 1 1.14 0.03 A 46 MET HBy H 1 1.14 0.03 A 46 MET HE% H 1 2.09 0.03 A 46 MET HGx H 1 0.46 0.03 A 46 MET HGy H 1 1.75 0.03 A 46 MET C C 13 171.53 0.20 A 46 MET CA C 13 57.35 0.20 A 46 MET CB C 13 30.83 0.20 A 46 MET CE C 13 19.64 0.20 A 46 MET CG C 13 29.12 0.20 A 46 MET N N 15 112.36 0.20 A 47 TYR H H 1 7.10 0.03 A 47 TYR HA H 1 4.59 0.03 A 47 TYR HBy H 1 3.40 0.03 A 47 TYR HBx H 1 2.74 0.03 A 47 TYR HD1 H 1 7.04 0.03 A 47 TYR HD2 H 1 7.04 0.03 A 47 TYR HE1 H 1 6.90 0.03 A 47 TYR HE2 H 1 6.90 0.03 A 47 TYR C C 13 176.84 0.20 A 47 TYR CA C 13 57.08 0.20 A 47 TYR CB C 13 37.83 0.20 A 47 TYR CD1 C 13 132.33 0.20 A 47 TYR CD2 C 13 132.33 0.20 A 47 TYR CE1 C 13 118.43 0.20 A 47 TYR CE2 C 13 118.43 0.20 A 47 TYR N N 15 115.69 0.20 A 48 GLY H H 1 8.35 0.03 A 48 GLY HAy H 1 4.39 0.03 A 48 GLY HAx H 1 3.57 0.03 A 48 GLY C C 13 173.52 0.20 A 48 GLY CA C 13 45.59 0.20 A 48 GLY N N 15 108.04 0.20 A 49 LYS H H 1 7.65 0.03 A 49 LYS HA H 1 4.59 0.03 A 49 LYS HBy H 1 1.77 0.03 A 49 LYS HBx H 1 1.69 0.03 A 49 LYS HDx H 1 1.63 0.03 A 49 LYS HDy H 1 1.63 0.03 A 49 LYS HEx H 1 2.98 0.03 A 49 LYS HEy H 1 2.98 0.03 A 49 LYS HGx H 1 1.30 0.03 A 49 LYS HGy H 1 1.44 0.03 A 49 LYS C C 13 174.91 0.20 A 49 LYS CA C 13 54.02 0.20 A 49 LYS CB C 13 33.91 0.20 A 49 LYS CD C 13 28.74 0.20 A 49 LYS CE C 13 42.36 0.20 A 49 LYS CG C 13 24.86 0.20 A 49 LYS N N 15 121.52 0.20 A 50 VAL H H 1 8.67 0.03 A 50 VAL HA H 1 4.93 0.03 A 50 VAL HB H 1 1.96 0.03 A 50 VAL HGx% H 1 0.76 0.03 A 50 VAL HGy% H 1 0.98 0.03 A 50 VAL C C 13 176.45 0.20 A 50 VAL CA C 13 61.94 0.20 A 50 VAL CB C 13 31.52 0.20 A 50 VAL CGx C 13 22.21 0.20 A 50 VAL CGy C 13 22.85 0.20 A 50 VAL N N 15 124.70 0.20 A 51 VAL H H 1 9.33 0.03 A 51 VAL HA H 1 4.67 0.03 A 51 VAL HB H 1 2.11 0.03 A 51 VAL HGx% H 1 0.84 0.03 A 51 VAL HGy% H 1 0.85 0.03 A 51 VAL C C 13 174.62 0.20 A 51 VAL CA C 13 59.21 0.20 A 51 VAL CB C 13 34.68 0.20 A 51 VAL CGx C 13 18.71 0.20 A 51 VAL CGy C 13 21.45 0.20 A 51 VAL N N 15 124.46 0.20 A 52 THR H H 1 8.69 0.03 A 52 THR HA H 1 5.13 0.03 A 52 THR HB H 1 3.96 0.03 A 52 THR HG2% H 1 1.22 0.03 A 52 THR C C 13 174.95 0.20 A 52 THR CA C 13 62.42 0.20 A 52 THR CB C 13 69.53 0.20 A 52 THR CG2 C 13 21.44 0.20 A 52 THR N N 15 120.78 0.20 A 53 VAL H H 1 8.79 0.03 A 53 VAL HA H 1 4.76 0.03 A 53 VAL HB H 1 2.07 0.03 A 53 VAL HGx% H 1 0.77 0.03 A 53 VAL HGy% H 1 0.84 0.03 A 53 VAL CA C 13 58.45 0.20 A 53 VAL CB C 13 35.48 0.20 A 53 VAL CGx C 13 20.09 0.20 A 53 VAL CGy C 13 22.07 0.20 A 53 VAL N N 15 120.94 0.20 A 54 ARG H H 1 8.73 0.03 A 54 ARG HA H 1 4.33 0.03 A 54 ARG HBy H 1 2.05 0.03 A 54 ARG HBx H 1 1.72 0.03 A 54 ARG HDx H 1 3.16 0.03 A 54 ARG HDy H 1 3.16 0.03 A 54 ARG HGx H 1 1.60 0.03 A 54 ARG HGy H 1 1.75 0.03 A 54 ARG C C 13 177.91 0.20 A 54 ARG CA C 13 56.62 0.20 A 54 ARG CB C 13 30.28 0.20 A 54 ARG CD C 13 42.94 0.20 A 54 ARG CG C 13 28.13 0.20 A 54 ARG N N 15 122.41 0.20 A 55 HIS H H 1 7.28 0.03 A 55 HIS HA H 1 3.96 0.03 A 55 HIS HBx H 1 2.87 0.03 A 55 HIS HBy H 1 2.87 0.03 A 55 HIS C C 13 177.53 0.20 A 55 HIS CA C 13 57.98 0.20 A 55 HIS CB C 13 31.17 0.20 A 55 HIS N N 15 118.37 0.20 A 56 GLN H H 1 8.51 0.03 A 56 GLN HA H 1 4.28 0.03 A 56 GLN HBx H 1 2.05 0.03 A 56 GLN HBy H 1 2.20 0.03 A 56 GLN HGx H 1 2.47 0.03 A 56 GLN HGy H 1 2.47 0.03 A 56 GLN C C 13 175.96 0.20 A 56 GLN CA C 13 57.36 0.20 A 56 GLN CB C 13 28.08 0.20 A 56 GLN CG C 13 34.21 0.20 A 56 GLN N N 15 111.98 0.20 A 57 ALA H H 1 7.80 0.03 A 57 ALA HA H 1 4.43 0.03 A 57 ALA HB% H 1 1.53 0.03 A 57 ALA C C 13 177.02 0.20 A 57 ALA CA C 13 52.47 0.20 A 57 ALA CB C 13 19.85 0.20 A 57 ALA N N 15 120.66 0.20 A 58 VAL H H 1 7.08 0.03 A 58 VAL HA H 1 4.83 0.03 A 58 VAL HB H 1 1.83 0.03 A 58 VAL HGx% H 1 0.77 0.03 A 58 VAL HGy% H 1 0.68 0.03 A 58 VAL CA C 13 59.03 0.20 A 58 VAL CB C 13 34.44 0.20 A 58 VAL CGy C 13 23.21 0.20 A 58 VAL CGx C 13 18.80 0.20 A 58 VAL N N 15 108.85 0.20 A 59 THR H H 1 7.56 0.03 A 59 THR HA H 1 4.00 0.03 A 59 THR HB H 1 4.65 0.03 A 59 THR HG2% H 1 1.22 0.03 A 59 THR C C 13 173.85 0.20 A 59 THR CA C 13 60.40 0.20 A 59 THR CB C 13 71.41 0.20 A 59 THR CG2 C 13 21.85 0.20 A 59 THR N N 15 113.56 0.20 A 60 ARG H H 1 9.06 0.03 A 60 ARG HA H 1 4.24 0.03 A 60 ARG HBx H 1 1.77 0.03 A 60 ARG HBy H 1 1.77 0.03 A 60 ARG HDx H 1 3.06 0.03 A 60 ARG HDy H 1 3.06 0.03 A 60 ARG HGx H 1 1.49 0.03 A 60 ARG HGy H 1 1.49 0.03 A 60 ARG C C 13 175.63 0.20 A 60 ARG CA C 13 57.57 0.20 A 60 ARG CB C 13 30.86 0.20 A 60 ARG CD C 13 43.45 0.20 A 60 ARG CG C 13 27.68 0.20 A 60 ARG N N 15 125.79 0.20 A 61 LYS H H 1 8.48 0.03 A 61 LYS HA H 1 4.42 0.03 A 61 LYS CA C 13 54.71 0.20 A 61 LYS CB C 13 33.33 0.20 A 61 LYS N N 15 127.28 0.20 A 63 ASP C C 13 175.27 0.20 A 63 ASP CA C 13 54.74 0.20 A 63 ASP CB C 13 39.42 0.20 A 64 ASN H H 1 8.61 0.03 A 64 ASN CA C 13 56.66 0.20 A 64 ASN N N 15 125.62 0.20 A 65 ARG C C 13 176.46 0.20 A 65 ARG CA C 13 57.39 0.20 A 65 ARG CB C 13 29.75 0.20 A 66 PHE H H 1 8.13 0.03 A 66 PHE HA H 1 4.74 0.03 A 66 PHE HBy H 1 3.39 0.03 A 66 PHE HBx H 1 2.96 0.03 A 66 PHE HD1 H 1 7.34 0.03 A 66 PHE HD2 H 1 7.34 0.03 A 66 PHE HE1 H 1 7.27 0.03 A 66 PHE HE2 H 1 7.27 0.03 A 66 PHE HZ H 1 7.13 0.03 A 66 PHE C C 13 175.16 0.20 A 66 PHE CA C 13 57.19 0.20 A 66 PHE CB C 13 38.29 0.20 A 66 PHE CD1 C 13 131.68 0.20 A 66 PHE CD2 C 13 131.68 0.20 A 66 PHE CE1 C 13 129.85 0.20 A 66 PHE CE2 C 13 129.85 0.20 A 66 PHE CZ C 13 129.24 0.20 A 66 PHE N N 15 118.77 0.20 A 67 ALA H H 1 7.38 0.03 A 67 ALA HA H 1 4.30 0.03 A 67 ALA HB% H 1 1.48 0.03 A 67 ALA C C 13 176.04 0.20 A 67 ALA CA C 13 53.01 0.20 A 67 ALA CB C 13 20.32 0.20 A 67 ALA N N 15 124.28 0.20 A 68 VAL H H 1 8.05 0.03 A 68 VAL HA H 1 4.68 0.03 A 68 VAL HB H 1 1.92 0.03 A 68 VAL HGx% H 1 0.82 0.03 A 68 VAL HGy% H 1 0.82 0.03 A 68 VAL C C 13 173.91 0.20 A 68 VAL CA C 13 60.12 0.20 A 68 VAL CB C 13 34.87 0.20 A 68 VAL CGx C 13 20.75 0.20 A 68 VAL CGy C 13 20.75 0.20 A 68 VAL N N 15 118.65 0.20 A 69 ALA H H 1 8.30 0.03 A 69 ALA HA H 1 4.63 0.03 A 69 ALA HB% H 1 1.31 0.03 A 69 ALA C C 13 174.18 0.20 A 69 ALA CA C 13 50.50 0.20 A 69 ALA CB C 13 23.18 0.20 A 69 ALA N N 15 128.17 0.20 A 70 LEU H H 1 8.00 0.03 A 70 LEU HA H 1 5.28 0.03 A 70 LEU HBy H 1 1.62 0.03 A 70 LEU HBx H 1 1.20 0.03 A 70 LEU HDx% H 1 0.64 0.03 A 70 LEU HDy% H 1 0.82 0.03 A 70 LEU HG H 1 1.49 0.03 A 70 LEU C C 13 177.43 0.20 A 70 LEU CA C 13 53.09 0.20 A 70 LEU CB C 13 45.23 0.20 A 70 LEU CDx C 13 23.91 0.20 A 70 LEU CDy C 13 25.64 0.20 A 70 LEU CG C 13 26.95 0.20 A 70 LEU N N 15 119.32 0.20 A 71 ASP H H 1 8.44 0.03 A 71 ASP HA H 1 4.81 0.03 A 71 ASP HBx H 1 2.51 0.03 A 71 ASP HBy H 1 3.20 0.03 A 71 ASP CA C 13 51.85 0.20 A 71 ASP CB C 13 41.13 0.20 A 71 ASP N N 15 121.02 0.20 A 72 SER H H 1 8.36 0.03 A 72 SER HA H 1 4.22 0.03 A 72 SER HBy H 1 4.09 0.03 A 72 SER HBx H 1 3.99 0.03 A 72 SER C C 13 175.52 0.20 A 72 SER CA C 13 61.47 0.20 A 72 SER CB C 13 64.41 0.20 A 72 SER N N 15 110.65 0.20 A 73 GLU H H 1 8.39 0.03 A 73 GLU HA H 1 4.55 0.03 A 73 GLU HBy H 1 2.35 0.03 A 73 GLU HBx H 1 1.79 0.03 A 73 GLU HGx H 1 1.79 0.03 A 73 GLU HGy H 1 2.32 0.03 A 73 GLU C C 13 175.38 0.20 A 73 GLU CA C 13 55.19 0.20 A 73 GLU CB C 13 29.80 0.20 A 73 GLU CG C 13 36.18 0.20 A 73 GLU N N 15 122.50 0.20 A 74 GLN H H 1 8.03 0.03 A 74 GLN HA H 1 3.61 0.03 A 74 GLN HBy H 1 2.44 0.03 A 74 GLN HBx H 1 2.33 0.03 A 74 GLN HGy H 1 2.32 0.03 A 74 GLN HGx H 1 2.20 0.03 A 74 GLN C C 13 175.17 0.20 A 74 GLN CA C 13 57.80 0.20 A 74 GLN CB C 13 25.48 0.20 A 74 GLN CG C 13 34.31 0.20 A 74 GLN N N 15 111.31 0.20 A 75 ASN H H 1 9.14 0.03 A 75 ASN HA H 1 4.76 0.03 A 75 ASN HBy H 1 2.81 0.03 A 75 ASN HBx H 1 2.42 0.03 A 75 ASN HD21 H 1 7.55 0.03 A 75 ASN HD22 H 1 9.54 0.03 A 75 ASN C C 13 175.76 0.20 A 75 ASN CA C 13 52.86 0.20 A 75 ASN CB C 13 39.11 0.20 A 75 ASN N N 15 118.07 0.20 A 75 ASN ND2 N 15 122.37 0.20 A 76 ASN H H 1 8.62 0.03 A 76 ASN HA H 1 5.02 0.03 A 76 ASN HBy H 1 2.72 0.03 A 76 ASN HBx H 1 2.18 0.03 A 76 ASN HD21 H 1 6.89 0.03 A 76 ASN HD22 H 1 7.33 0.03 A 76 ASN C C 13 174.99 0.20 A 76 ASN CA C 13 53.50 0.20 A 76 ASN CB C 13 38.86 0.20 A 76 ASN N N 15 119.68 0.20 A 76 ASN ND2 N 15 111.38 0.20 A 77 ILE H H 1 8.64 0.03 A 77 ILE HA H 1 4.76 0.03 A 77 ILE HB H 1 1.66 0.03 A 77 ILE HD1% H 1 0.55 0.03 A 77 ILE HG1y H 1 1.12 0.03 A 77 ILE HG1x H 1 0.80 0.03 A 77 ILE HG2% H 1 0.82 0.03 A 77 ILE C C 13 173.35 0.20 A 77 ILE CA C 13 59.50 0.20 A 77 ILE CB C 13 41.03 0.20 A 77 ILE CD1 C 13 13.47 0.20 A 77 ILE CG2 C 13 19.65 0.20 A 77 ILE N N 15 116.72 0.20 A 78 HIS H H 1 9.06 0.03 A 78 HIS HA H 1 4.87 0.03 A 78 HIS HBy H 1 3.48 0.03 A 78 HIS HBx H 1 2.79 0.03 A 78 HIS HD2 H 1 7.33 0.03 A 78 HIS CA C 13 53.71 0.20 A 78 HIS CB C 13 32.26 0.20 A 78 HIS N N 15 117.24 0.20 A 79 VAL H H 1 8.79 0.03 A 79 VAL HA H 1 3.26 0.03 A 79 VAL HB H 1 1.94 0.03 A 79 VAL HGx% H 1 0.94 0.03 A 79 VAL HGy% H 1 0.96 0.03 A 79 VAL C C 13 176.97 0.20 A 79 VAL CA C 13 66.28 0.20 A 79 VAL CB C 13 31.47 0.20 A 79 VAL CGx C 13 21.72 0.20 A 79 VAL CGy C 13 22.88 0.20 A 79 VAL N N 15 121.36 0.20 A 80 LYS H H 1 8.89 0.03 A 80 LYS HA H 1 3.85 0.03 A 80 LYS HBy H 1 2.46 0.03 A 80 LYS HBx H 1 2.09 0.03 A 80 LYS HDx H 1 1.67 0.03 A 80 LYS HDy H 1 1.67 0.03 A 80 LYS HEx H 1 2.98 0.03 A 80 LYS HEy H 1 2.98 0.03 A 80 LYS HGx H 1 1.51 0.03 A 80 LYS HGy H 1 1.51 0.03 A 80 LYS C C 13 176.19 0.20 A 80 LYS CA C 13 60.22 0.20 A 80 LYS CB C 13 30.90 0.20 A 80 LYS CD C 13 28.93 0.20 A 80 LYS CE C 13 42.33 0.20 A 80 LYS CG C 13 26.40 0.20 A 80 LYS N N 15 119.82 0.20 A 81 ASP H H 1 8.03 0.03 A 81 ASP HA H 1 4.76 0.03 A 81 ASP HBy H 1 2.98 0.03 A 81 ASP HBx H 1 2.53 0.03 A 81 ASP C C 13 175.26 0.20 A 81 ASP CA C 13 55.82 0.20 A 81 ASP CB C 13 41.22 0.20 A 81 ASP N N 15 119.83 0.20 A 82 ILE H H 1 8.51 0.03 A 82 ILE HA H 1 4.89 0.03 A 82 ILE HB H 1 1.88 0.03 A 82 ILE HD1% H 1 0.88 0.03 A 82 ILE HG1y H 1 1.60 0.03 A 82 ILE HG1x H 1 1.47 0.03 A 82 ILE HG2% H 1 0.88 0.03 A 82 ILE C C 13 176.41 0.20 A 82 ILE CA C 13 59.29 0.20 A 82 ILE CB C 13 36.90 0.20 A 82 ILE CD1 C 13 11.03 0.20 A 82 ILE CG2 C 13 17.53 0.20 A 82 ILE N N 15 120.48 0.20 A 83 VAL H H 1 8.95 0.03 A 83 VAL HA H 1 5.20 0.03 A 83 VAL HB H 1 2.07 0.03 A 83 VAL HGx% H 1 0.76 0.03 A 83 VAL HGy% H 1 0.85 0.03 A 83 VAL C C 13 174.03 0.20 A 83 VAL CA C 13 58.19 0.20 A 83 VAL CB C 13 35.74 0.20 A 83 VAL CGx C 13 20.64 0.20 A 83 VAL CGy C 13 22.13 0.20 A 83 VAL N N 15 117.37 0.20 A 84 LYS H H 1 9.08 0.03 A 84 LYS HA H 1 4.96 0.03 A 84 LYS HBy H 1 1.81 0.03 A 84 LYS HBx H 1 1.64 0.03 A 84 LYS HDx H 1 1.64 0.03 A 84 LYS HDy H 1 1.64 0.03 A 84 LYS HEx H 1 2.89 0.03 A 84 LYS HEy H 1 2.89 0.03 A 84 LYS HGx H 1 1.38 0.03 A 84 LYS HGy H 1 1.38 0.03 A 84 LYS C C 13 175.28 0.20 A 84 LYS CA C 13 54.45 0.20 A 84 LYS CB C 13 35.13 0.20 A 84 LYS CD C 13 29.41 0.20 A 84 LYS CE C 13 41.99 0.20 A 84 LYS CG C 13 25.39 0.20 A 84 LYS N N 15 119.10 0.20 A 85 VAL H H 1 8.72 0.03 A 85 VAL HA H 1 4.67 0.03 A 85 VAL HB H 1 2.31 0.03 A 85 VAL HGx% H 1 1.26 0.03 A 85 VAL HGy% H 1 0.95 0.03 A 85 VAL C C 13 178.79 0.20 A 85 VAL CA C 13 62.06 0.20 A 85 VAL CB C 13 31.25 0.20 A 85 VAL CGy C 13 23.72 0.20 A 85 VAL CGx C 13 20.89 0.20 A 85 VAL N N 15 123.55 0.20 A 86 ILE H H 1 9.06 0.03 A 86 ILE HA H 1 4.70 0.03 A 86 ILE HB H 1 2.33 0.03 A 86 ILE HD1% H 1 0.82 0.03 A 86 ILE HG1x H 1 1.07 0.03 A 86 ILE HG1y H 1 1.07 0.03 A 86 ILE HG2% H 1 0.82 0.03 A 86 ILE C C 13 174.99 0.20 A 86 ILE CA C 13 60.42 0.20 A 86 ILE CB C 13 39.43 0.20 A 86 ILE CD1 C 13 14.53 0.20 A 86 ILE CG2 C 13 20.93 0.20 A 86 ILE N N 15 120.94 0.20 A 87 ASP H H 1 7.73 0.03 A 87 ASP HA H 1 4.72 0.03 A 87 ASP HBx H 1 1.92 0.03 A 87 ASP HBy H 1 2.57 0.03 A 87 ASP C C 13 174.95 0.20 A 87 ASP CA C 13 52.60 0.20 A 87 ASP CB C 13 42.88 0.20 A 87 ASP N N 15 117.60 0.20 A 88 GLY H H 1 8.65 0.03 A 88 GLY CA C 13 45.38 0.20 A 88 GLY N N 15 105.87 0.20 A 89 PRO HA H 1 4.22 0.03 A 89 PRO HBy H 1 2.22 0.03 A 89 PRO HBx H 1 1.42 0.03 A 89 PRO HDy H 1 3.89 0.03 A 89 PRO HDx H 1 3.60 0.03 A 89 PRO HGy H 1 2.05 0.03 A 89 PRO HGx H 1 1.92 0.03 A 89 PRO C C 13 177.96 0.20 A 89 PRO CA C 13 64.56 0.20 A 89 PRO CB C 13 32.02 0.20 A 89 PRO CD C 13 49.76 0.20 A 89 PRO CG C 13 27.28 0.20 A 90 HIS H H 1 8.96 0.03 A 90 HIS HA H 1 4.72 0.03 A 90 HIS HBx H 1 2.94 0.03 A 90 HIS HBy H 1 2.94 0.03 A 90 HIS C C 13 173.84 0.20 A 90 HIS CA C 13 55.18 0.20 A 90 HIS CB C 13 30.47 0.20 A 90 HIS N N 15 116.21 0.20 A 91 SER H H 1 7.18 0.03 A 91 SER HA H 1 3.48 0.03 A 91 SER HBx H 1 3.63 0.03 A 91 SER HBy H 1 3.63 0.03 A 91 SER C C 13 175.64 0.20 A 91 SER CA C 13 60.58 0.20 A 91 SER CB C 13 63.32 0.20 A 91 SER N N 15 113.28 0.20 A 92 GLY H H 1 8.80 0.03 A 92 GLY HAy H 1 4.51 0.03 A 92 GLY HAx H 1 3.68 0.03 A 92 GLY C C 13 175.12 0.20 A 92 GLY CA C 13 44.95 0.20 A 92 GLY N N 15 115.26 0.20 A 93 ARG H H 1 8.06 0.03 A 93 ARG HA H 1 4.43 0.03 A 93 ARG HBx H 1 1.89 0.03 A 93 ARG HBy H 1 1.89 0.03 A 93 ARG HDy H 1 2.54 0.03 A 93 ARG HDx H 1 2.36 0.03 A 93 ARG HGx H 1 1.63 0.03 A 93 ARG HGy H 1 1.63 0.03 A 93 ARG C C 13 174.25 0.20 A 93 ARG CA C 13 56.67 0.20 A 93 ARG CB C 13 31.86 0.20 A 93 ARG CD C 13 42.90 0.20 A 93 ARG CG C 13 28.17 0.20 A 93 ARG N N 15 119.65 0.20 A 94 GLU H H 1 8.35 0.03 A 94 GLU HA H 1 5.35 0.03 A 94 GLU HBx H 1 2.05 0.03 A 94 GLU HBy H 1 2.05 0.03 A 94 GLU HGx H 1 2.14 0.03 A 94 GLU HGy H 1 2.19 0.03 A 94 GLU C C 13 175.77 0.20 A 94 GLU CA C 13 54.69 0.20 A 94 GLU CB C 13 33.35 0.20 A 94 GLU CG C 13 36.64 0.20 A 94 GLU N N 15 119.33 0.20 A 95 GLY H H 1 8.78 0.03 A 95 GLY HAy H 1 4.43 0.03 A 95 GLY HAx H 1 3.98 0.03 A 95 GLY C C 13 174.63 0.20 A 95 GLY CA C 13 45.74 0.20 A 95 GLY N N 15 106.32 0.20 A 96 GLU H H 1 8.64 0.03 A 96 GLU HA H 1 5.13 0.03 A 96 GLU HBx H 1 2.05 0.03 A 96 GLU HBy H 1 2.05 0.03 A 96 GLU HGx H 1 1.92 0.03 A 96 GLU HGy H 1 1.92 0.03 A 96 GLU C C 13 177.42 0.20 A 96 GLU CA C 13 53.38 0.20 A 96 GLU CB C 13 33.14 0.20 A 96 GLU CG C 13 36.83 0.20 A 96 GLU N N 15 119.40 0.20 A 97 ILE H H 1 9.08 0.03 A 97 ILE HA H 1 3.78 0.03 A 97 ILE HB H 1 2.12 0.03 A 97 ILE HD1% H 1 0.77 0.03 A 97 ILE HG1x H 1 0.67 0.03 A 97 ILE HG1y H 1 1.81 0.03 A 97 ILE HG2% H 1 0.64 0.03 A 97 ILE C C 13 176.70 0.20 A 97 ILE CA C 13 63.85 0.20 A 97 ILE CB C 13 36.91 0.20 A 97 ILE CD1 C 13 14.21 0.20 A 97 ILE CG2 C 13 18.65 0.20 A 97 ILE N N 15 125.06 0.20 A 98 ARG H H 1 9.58 0.03 A 98 ARG HA H 1 4.37 0.03 A 98 ARG HBx H 1 1.51 0.03 A 98 ARG HBy H 1 1.51 0.03 A 98 ARG HDx H 1 3.10 0.03 A 98 ARG HDy H 1 3.10 0.03 A 98 ARG HGy H 1 1.55 0.03 A 98 ARG HGx H 1 1.49 0.03 A 98 ARG C C 13 174.82 0.20 A 98 ARG CA C 13 55.53 0.20 A 98 ARG CB C 13 31.19 0.20 A 98 ARG CD C 13 41.55 0.20 A 98 ARG CG C 13 27.25 0.20 A 98 ARG N N 15 130.76 0.20 A 99 HIS H H 1 7.68 0.03 A 99 HIS HA H 1 4.89 0.03 A 99 HIS HBy H 1 2.94 0.03 A 99 HIS HBx H 1 2.61 0.03 A 99 HIS HD2 H 1 6.21 0.03 A 99 HIS C C 13 173.67 0.20 A 99 HIS CA C 13 55.42 0.20 A 99 HIS CB C 13 36.95 0.20 A 99 HIS N N 15 111.18 0.20 A 100 LEU H H 1 9.07 0.03 A 100 LEU HA H 1 4.98 0.03 A 100 LEU HBx H 1 1.46 0.03 A 100 LEU HBy H 1 1.46 0.03 A 100 LEU HDx% H 1 0.67 0.03 A 100 LEU HDy% H 1 0.63 0.03 A 100 LEU HG H 1 1.26 0.03 A 100 LEU C C 13 174.84 0.20 A 100 LEU CA C 13 54.01 0.20 A 100 LEU CB C 13 45.90 0.20 A 100 LEU CDx C 13 24.51 0.20 A 100 LEU CDy C 13 25.82 0.20 A 100 LEU CG C 13 26.67 0.20 A 100 LEU N N 15 124.30 0.20 A 101 PHE H H 1 8.65 0.03 A 101 PHE HA H 1 4.55 0.03 A 101 PHE HBx H 1 2.83 0.03 A 101 PHE HBy H 1 2.83 0.03 A 101 PHE HD1 H 1 7.28 0.03 A 101 PHE HD2 H 1 7.28 0.03 A 101 PHE HE1 H 1 7.17 0.03 A 101 PHE HE2 H 1 7.17 0.03 A 101 PHE C C 13 173.04 0.20 A 101 PHE CA C 13 57.84 0.20 A 101 PHE CB C 13 41.94 0.20 A 101 PHE CD1 C 13 132.90 0.20 A 101 PHE CD2 C 13 132.90 0.20 A 101 PHE CE1 C 13 132.41 0.20 A 101 PHE CE2 C 13 132.41 0.20 A 101 PHE N N 15 122.05 0.20 A 102 ARG H H 1 8.43 0.03 A 102 ARG CA C 13 58.91 0.20 A 102 ARG N N 15 123.33 0.20 A 103 SER HA H 1 4.50 0.03 A 103 SER HBx H 1 3.78 0.03 A 103 SER HBy H 1 3.78 0.03 A 103 SER C C 13 173.63 0.20 A 103 SER CA C 13 58.41 0.20 A 103 SER CB C 13 63.19 0.20 A 104 PHE H H 1 8.56 0.03 A 104 PHE HA H 1 4.94 0.03 A 104 PHE HBy H 1 3.07 0.03 A 104 PHE HBx H 1 2.59 0.03 A 104 PHE HD1 H 1 7.15 0.03 A 104 PHE HD2 H 1 7.15 0.03 A 104 PHE C C 13 172.99 0.20 A 104 PHE CA C 13 57.79 0.20 A 104 PHE CB C 13 41.10 0.20 A 104 PHE CD1 C 13 132.65 0.20 A 104 PHE CD2 C 13 132.65 0.20 A 104 PHE N N 15 120.96 0.20 A 105 ALA H H 1 9.00 0.03 A 105 ALA HA H 1 5.05 0.03 A 105 ALA HB% H 1 0.98 0.03 A 105 ALA C C 13 174.60 0.20 A 105 ALA CA C 13 50.04 0.20 A 105 ALA CB C 13 22.79 0.20 A 105 ALA N N 15 121.61 0.20 A 106 PHE H H 1 8.91 0.03 A 106 PHE HA H 1 4.83 0.03 A 106 PHE HBy H 1 2.90 0.03 A 106 PHE HBx H 1 2.74 0.03 A 106 PHE HD1 H 1 6.86 0.03 A 106 PHE HD2 H 1 6.86 0.03 A 106 PHE HE1 H 1 6.89 0.03 A 106 PHE HE2 H 1 6.89 0.03 A 106 PHE HZ H 1 6.56 0.03 A 106 PHE C C 13 174.53 0.20 A 106 PHE CA C 13 57.20 0.20 A 106 PHE CB C 13 40.00 0.20 A 106 PHE CD1 C 13 132.41 0.20 A 106 PHE CD2 C 13 132.41 0.20 A 106 PHE CE1 C 13 130.90 0.20 A 106 PHE CE2 C 13 130.90 0.20 A 106 PHE CZ C 13 128.00 0.20 A 106 PHE N N 15 119.51 0.20 A 107 LEU H H 1 9.16 0.03 A 107 LEU HA H 1 5.00 0.03 A 107 LEU HBx H 1 -0.03 0.03 A 107 LEU HBy H 1 0.54 0.03 A 107 LEU HDx% H 1 0.34 0.03 A 107 LEU HDy% H 1 0.38 0.03 A 107 LEU HG H 1 1.00 0.03 A 107 LEU C C 13 173.59 0.20 A 107 LEU CA C 13 53.50 0.20 A 107 LEU CB C 13 45.18 0.20 A 107 LEU CDx C 13 26.92 0.20 A 107 LEU CDy C 13 27.89 0.20 A 107 LEU CG C 13 27.89 0.20 A 107 LEU N N 15 127.06 0.20 A 108 HIS H H 1 8.71 0.03 A 108 HIS HA H 1 5.52 0.03 A 108 HIS HBy H 1 3.05 0.03 A 108 HIS HBx H 1 2.96 0.03 A 108 HIS HD2 H 1 7.18 0.03 A 108 HIS C C 13 175.12 0.20 A 108 HIS CA C 13 55.79 0.20 A 108 HIS CB C 13 35.45 0.20 A 108 HIS N N 15 116.91 0.20 A 109 CYS H H 1 9.11 0.03 A 109 CYS HA H 1 4.89 0.03 A 109 CYS HBy H 1 3.50 0.03 A 109 CYS HBx H 1 2.74 0.03 A 109 CYS C C 13 174.69 0.20 A 109 CYS CA C 13 57.27 0.20 A 109 CYS CB C 13 29.59 0.20 A 109 CYS N N 15 128.74 0.20 A 110 LYS H H 1 8.89 0.03 A 110 LYS HA H 1 4.07 0.03 A 110 LYS HBx H 1 1.92 0.03 A 110 LYS HBy H 1 1.92 0.03 A 110 LYS HDx H 1 1.75 0.03 A 110 LYS HDy H 1 1.75 0.03 A 110 LYS HEx H 1 3.05 0.03 A 110 LYS HEy H 1 3.05 0.03 A 110 LYS HGx H 1 1.60 0.03 A 110 LYS HGy H 1 1.60 0.03 A 110 LYS C C 13 176.88 0.20 A 110 LYS CA C 13 58.93 0.20 A 110 LYS CB C 13 32.71 0.20 A 110 LYS CD C 13 32.96 0.20 A 110 LYS CE C 13 42.11 0.20 A 110 LYS CG C 13 25.36 0.20 A 110 LYS N N 15 126.97 0.20 A 111 LYS H H 1 7.90 0.03 A 111 LYS HA H 1 4.28 0.03 A 111 LYS HBy H 1 2.01 0.03 A 111 LYS HBx H 1 1.68 0.03 A 111 LYS HDx H 1 1.66 0.03 A 111 LYS HDy H 1 1.66 0.03 A 111 LYS HEx H 1 3.00 0.03 A 111 LYS HEy H 1 3.00 0.03 A 111 LYS HGx H 1 1.46 0.03 A 111 LYS HGy H 1 1.46 0.03 A 111 LYS C C 13 175.77 0.20 A 111 LYS CA C 13 56.33 0.20 A 111 LYS CB C 13 32.84 0.20 A 111 LYS CD C 13 29.10 0.20 A 111 LYS CE C 13 42.08 0.20 A 111 LYS CG C 13 25.36 0.20 A 111 LYS N N 15 116.99 0.20 A 112 LEU H H 1 7.37 0.03 A 112 LEU HA H 1 4.50 0.03 A 112 LEU HBx H 1 1.35 0.03 A 112 LEU HBy H 1 1.87 0.03 A 112 LEU HDx% H 1 0.74 0.03 A 112 LEU HDy% H 1 0.65 0.03 A 112 LEU HG H 1 1.59 0.03 A 112 LEU C C 13 175.57 0.20 A 112 LEU CA C 13 54.10 0.20 A 112 LEU CB C 13 43.56 0.20 A 112 LEU CDy C 13 24.76 0.20 A 112 LEU CDx C 13 24.58 0.20 A 112 LEU CG C 13 26.79 0.20 A 112 LEU N N 15 122.74 0.20 A 113 VAL H H 1 8.34 0.03 A 113 VAL HA H 1 3.89 0.03 A 113 VAL HB H 1 2.07 0.03 A 113 VAL HGx% H 1 0.97 0.03 A 113 VAL HGy% H 1 0.97 0.03 A 113 VAL C C 13 177.69 0.20 A 113 VAL CA C 13 64.22 0.20 A 113 VAL CB C 13 32.33 0.20 A 113 VAL CGx C 13 21.30 0.20 A 113 VAL CGy C 13 21.30 0.20 A 113 VAL N N 15 123.55 0.20 A 114 GLU H H 1 7.93 0.03 A 114 GLU HA H 1 4.22 0.03 A 114 GLU HBx H 1 2.03 0.03 A 114 GLU HBy H 1 2.03 0.03 A 114 GLU HGy H 1 3.30 0.03 A 114 GLU HGx H 1 2.30 0.03 A 114 GLU C C 13 177.24 0.20 A 114 GLU CA C 13 57.21 0.20 A 114 GLU CB C 13 30.18 0.20 A 114 GLU CG C 13 36.28 0.20 A 114 GLU N N 15 120.93 0.20 A 115 ASN H H 1 9.37 0.03 A 115 ASN HA H 1 4.55 0.03 A 115 ASN HBy H 1 3.55 0.03 A 115 ASN HBx H 1 2.98 0.03 A 115 ASN HD21 H 1 6.81 0.03 A 115 ASN HD22 H 1 8.17 0.03 A 115 ASN C C 13 175.79 0.20 A 115 ASN CA C 13 54.68 0.20 A 115 ASN CB C 13 37.55 0.20 A 115 ASN N N 15 118.86 0.20 A 115 ASN ND2 N 15 114.52 0.20 A 116 GLY H H 1 8.31 0.03 A 116 GLY HAx H 1 4.05 0.03 A 116 GLY HAy H 1 4.30 0.03 A 116 GLY C C 13 174.81 0.20 A 116 GLY CA C 13 47.17 0.20 A 116 GLY N N 15 103.97 0.20 A 117 GLY H H 1 8.11 0.03 A 117 GLY HAx H 1 3.96 0.03 A 117 GLY HAy H 1 4.40 0.03 A 117 GLY C C 13 169.81 0.20 A 117 GLY CA C 13 46.10 0.20 A 117 GLY N N 15 107.74 0.20 A 118 MET H H 1 7.61 0.03 A 118 MET HA H 1 5.89 0.03 A 118 MET HBy H 1 2.33 0.03 A 118 MET HBx H 1 1.98 0.03 A 118 MET HE% H 1 1.74 0.03 A 118 MET HGy H 1 2.77 0.03 A 118 MET HGx H 1 2.47 0.03 A 118 MET C C 13 176.18 0.20 A 118 MET CA C 13 53.35 0.20 A 118 MET CB C 13 33.20 0.20 A 118 MET CE C 13 16.32 0.20 A 118 MET CG C 13 31.91 0.20 A 118 MET N N 15 118.70 0.20 A 119 PHE H H 1 9.28 0.03 A 119 PHE HA H 1 4.76 0.03 A 119 PHE HBy H 1 2.88 0.03 A 119 PHE HBx H 1 2.50 0.03 A 119 PHE HD1 H 1 6.74 0.03 A 119 PHE HD2 H 1 6.74 0.03 A 119 PHE HE1 H 1 6.89 0.03 A 119 PHE HE2 H 1 6.89 0.03 A 119 PHE HZ H 1 6.63 0.03 A 119 PHE CA C 13 56.28 0.20 A 119 PHE CB C 13 39.43 0.20 A 119 PHE CD1 C 13 133.18 0.20 A 119 PHE CD2 C 13 133.18 0.20 A 119 PHE CE1 C 13 130.83 0.20 A 119 PHE CE2 C 13 130.83 0.20 A 119 PHE CZ C 13 128.60 0.20 A 119 PHE N N 15 118.74 0.20 A 120 VAL H H 1 8.60 0.03 A 120 VAL HA H 1 5.11 0.03 A 120 VAL HB H 1 1.46 0.03 A 120 VAL HGx% H 1 0.25 0.03 A 120 VAL HGy% H 1 0.75 0.03 A 120 VAL C C 13 173.92 0.20 A 120 VAL CA C 13 59.01 0.20 A 120 VAL CB C 13 34.95 0.20 A 120 VAL CGy C 13 20.93 0.20 A 120 VAL CGx C 13 18.80 0.20 A 120 VAL N N 15 120.07 0.20 A 121 CYS H H 1 8.52 0.03 A 121 CYS HA H 1 5.07 0.03 A 121 CYS HBy H 1 3.09 0.03 A 121 CYS HBx H 1 2.66 0.03 A 121 CYS C C 13 173.58 0.20 A 121 CYS CA C 13 56.74 0.20 A 121 CYS CB C 13 32.92 0.20 A 121 CYS N N 15 122.21 0.20 A 122 LYS H H 1 8.92 0.03 A 122 LYS HA H 1 4.40 0.03 A 122 LYS HBx H 1 1.89 0.03 A 122 LYS HBy H 1 1.89 0.03 A 122 LYS C C 13 179.47 0.20 A 122 LYS CA C 13 56.76 0.20 A 122 LYS CB C 13 31.79 0.20 A 122 LYS N N 15 121.93 0.20 A 123 THR H H 1 8.53 0.03 A 123 THR HA H 1 3.63 0.03 A 123 THR HB H 1 4.32 0.03 A 123 THR HG2% H 1 0.84 0.03 A 123 THR C C 13 176.70 0.20 A 123 THR CA C 13 65.69 0.20 A 123 THR CB C 13 66.55 0.20 A 123 THR CG2 C 13 23.44 0.20 A 123 THR N N 15 116.27 0.20 A 124 ARG H H 1 7.74 0.03 A 124 ARG HA H 1 4.09 0.03 A 124 ARG HBy H 1 1.85 0.03 A 124 ARG HBx H 1 1.68 0.03 A 124 ARG HDx H 1 3.03 0.03 A 124 ARG HDy H 1 3.03 0.03 A 124 ARG HGy H 1 1.41 0.03 A 124 ARG HGx H 1 1.14 0.03 A 124 ARG C C 13 175.51 0.20 A 124 ARG CA C 13 56.97 0.20 A 124 ARG CB C 13 29.01 0.20 A 124 ARG CD C 13 43.21 0.20 A 124 ARG CG C 13 26.58 0.20 A 124 ARG N N 15 115.65 0.20 A 125 HIS H H 1 7.72 0.03 A 125 HIS HA H 1 4.87 0.03 A 125 HIS HBy H 1 3.65 0.03 A 125 HIS HBx H 1 3.28 0.03 A 125 HIS HD2 H 1 6.78 0.03 A 125 HIS C C 13 173.66 0.20 A 125 HIS CA C 13 53.70 0.20 A 125 HIS CB C 13 31.43 0.20 A 125 HIS N N 15 118.47 0.20 A 126 LEU H H 1 7.55 0.03 A 126 LEU HA H 1 5.63 0.03 A 126 LEU HBy H 1 2.05 0.03 A 126 LEU HBx H 1 1.20 0.03 A 126 LEU HDx% H 1 0.81 0.03 A 126 LEU HDy% H 1 0.81 0.03 A 126 LEU HG H 1 0.82 0.03 A 126 LEU C C 13 178.27 0.20 A 126 LEU CA C 13 53.27 0.20 A 126 LEU CB C 13 45.46 0.20 A 126 LEU CDx C 13 24.76 0.20 A 126 LEU CDy C 13 24.76 0.20 A 126 LEU CG C 13 25.87 0.20 A 126 LEU N N 15 117.77 0.20 A 127 VAL H H 1 9.30 0.03 A 127 VAL HA H 1 4.67 0.03 A 127 VAL HB H 1 1.81 0.03 A 127 VAL HGx% H 1 0.97 0.03 A 127 VAL HGy% H 1 0.90 0.03 A 127 VAL C C 13 173.51 0.20 A 127 VAL CA C 13 61.23 0.20 A 127 VAL CB C 13 36.30 0.20 A 127 VAL CGy C 13 21.76 0.20 A 127 VAL CGx C 13 20.57 0.20 A 127 VAL N N 15 122.07 0.20 A 128 LEU H H 1 9.03 0.03 A 128 LEU HA H 1 4.26 0.03 A 128 LEU HBy H 1 1.75 0.03 A 128 LEU HBx H 1 1.46 0.03 A 128 LEU HDx% H 1 0.97 0.03 A 128 LEU HDy% H 1 1.07 0.03 A 128 LEU HG H 1 1.69 0.03 A 128 LEU C C 13 176.24 0.20 A 128 LEU CA C 13 57.04 0.20 A 128 LEU CB C 13 42.69 0.20 A 128 LEU CDy C 13 25.48 0.20 A 128 LEU CDx C 13 23.64 0.20 A 128 LEU CG C 13 27.07 0.20 A 128 LEU N N 15 129.33 0.20 A 129 ALA H H 1 8.86 0.03 A 129 ALA HA H 1 4.44 0.03 A 129 ALA HB% H 1 1.33 0.03 A 129 ALA C C 13 176.40 0.20 A 129 ALA CA C 13 52.33 0.20 A 129 ALA CB C 13 19.83 0.20 A 129 ALA N N 15 129.70 0.20 A 130 GLY H H 1 7.82 0.03 A 130 GLY HAx H 1 3.79 0.03 A 130 GLY HAy H 1 3.79 0.03 A 130 GLY CA C 13 46.35 0.20 A 130 GLY N N 15 114.46 0.20 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 33 ILE HD1% A 17 HIS HD2 1.0 0.0 6.0 2 2 A 32 VAL HGx% A 106 PHE HD% 1.0 0.0 4.0 3 3 A 36 LEU H A 41 PHE HD% 1.0 0.0 6.0 4 4 A 106 PHE HD% A 32 VAL HGy% 1.0 0.0 4.0 5 5 A 32 VAL HGy% A 106 PHE HE% 1.0 0.0 6.0 6 6 A 19 TRP HD1 A 36 LEU HDx% 1.0 0.0 3.0 7 7 A 19 TRP HD1 A 36 LEU HG 1.0 0.0 6.0 8 8 A 36 LEU H A 19 TRP HD1 1.0 0.0 4.0 9 9 A 19 TRP HD1 A 35 ARG H 1.0 0.0 6.0 10 10 A 19 TRP HE1 A 34 VAL HGy% 1.0 0.0 6.0 11 11 A 19 TRP HZ2 A 34 VAL HA 1.0 0.0 4.0 12 12 A 47 TYR HE% A 29 THR HG2% 1.0 0.0 4.0 13 13 A 47 TYR HE% A 46 MET HGx 1.0 0.0 4.0 14 14 A 29 THR HG2% A 47 TYR HD% 1.0 0.0 6.0 15 15 A 47 TYR HD% A 46 MET HGy 1.0 0.0 6.0 16 16 A 47 TYR HD% A 46 MET HE% 1.0 0.0 6.0 17 17 A 29 THR HG2% A 46 MET HE% 1.0 0.0 3.0 18 18 A 97 ILE HD1% A 81 ASP H 1.0 0.0 6.0 19 19 A 97 ILE HD1% A 107 LEU HDy% 1.0 0.0 5.0 20 20 A 104 PHE HD% A 120 VAL HGy% 1.0 0.0 6.0 21 21 A 86 ILE H A 126 LEU HA 1.0 0.0 6.0 22 22 A 86 ILE H A 127 VAL H 1.0 0.0 6.0 23 23 A 85 VAL H A 94 GLU HA 1.0 0.0 6.0 24 24 A 85 VAL H A 93 ARG H 1.0 0.0 6.0 25 25 A 127 VAL H A 84 LYS H 1.0 0.0 3.0 26 26 A 126 LEU HA A 84 LYS H 1.0 0.0 5.0 27 27 A 83 VAL H A 95 GLY H 1.0 0.0 4.0 28 28 A 83 VAL H A 96 GLU HA 1.0 0.0 6.0 29 29 A 83 VAL H A 95 GLY H 1.0 0.0 6.0 30 30 A 119 PHE H A 108 HIS HA 1.0 0.0 6.0 31 31 A 119 PHE H A 107 LEU H 1.0 0.0 6.0 32 32 A 81 ASP H A 97 ILE H 1.0 0.0 4.0 33 33 A 97 ILE H A 82 ILE HA 1.0 0.0 6.0 34 34 A 95 GLY H A 84 LYS HA 1.0 0.0 6.0 35 35 A 85 VAL H A 95 GLY H 1.0 0.0 6.0 36 36 A 93 ARG H A 86 ILE HA 1.0 0.0 6.0 37 37 A 85 VAL H A 93 ARG H 1.0 0.0 6.0 38 38 A 107 LEU H A 121 CYS H 1.0 0.0 6.0 39 39 A 107 LEU H A 120 VAL HA 1.0 0.0 4.0 40 40 A 119 PHE H A 109 CYS H 1.0 0.0 6.0 41 41 A 109 CYS H A 117 GLY H 1.0 0.0 6.0 42 42 A 109 CYS H A 118 MET HA 1.0 0.0 6.0 43 43 A 69 ALA H A 77 ILE H 1.0 0.0 6.0 44 44 A 69 ALA H A 76 ASN HA 1.0 0.0 6.0 45 45 A 71 ASP H A 75 ASN H 1.0 0.0 6.0 46 46 A 71 ASP H A 74 GLN HA 1.0 0.0 6.0 47 47 A 75 ASN H A 73 GLU H 1.0 0.0 6.0 48 48 A 71 ASP H A 73 GLU H 1.0 0.0 6.0 49 49 A 73 GLU H A 72 SER HBx 1.0 0.0 6.0 50 50 A 53 VAL H A 41 PHE H 1.0 0.0 6.0 51 51 A 53 VAL H A 42 GLN HA 1.0 0.0 6.0 52 52 A 53 VAL H A 43 VAL H 1.0 0.0 6.0 53 53 A 43 VAL H A 51 VAL H 1.0 0.0 6.0 54 54 A 51 VAL H A 45 ASN H 1.0 0.0 6.0 55 55 A 51 VAL H A 44 LEU HA 1.0 0.0 6.0 56 56 A 45 ASN H A 49 LYS H 1.0 0.0 6.0 57 57 A 49 LYS H A 47 TYR H 1.0 0.0 6.0 58 58 A 47 TYR H A 48 GLY H 1.0 0.0 3.0 59 59 A 49 LYS H A 48 GLY H 1.0 0.0 3.0 60 60 A 43 VAL H A 42 GLN H 1.0 0.0 6.0 61 61 A 42 GLN H A 35 ARG HA 1.0 0.0 6.0 62 62 A 35 ARG H A 42 GLN H 1.0 0.0 6.0 63 63 A 44 LEU H A 32 VAL H 1.0 0.0 6.0 64 64 A 44 LEU H A 33 ILE HA 1.0 0.0 6.0 65 65 A 46 MET H A 31 GLY HAy 1.0 0.0 6.0 66 66 A 46 MET H A 31 GLY HAx 1.0 0.0 6.0 67 67 A 46 MET H A 30 VAL H 1.0 0.0 6.0 68 68 A 31 GLY H A 23 VAL H 1.0 0.0 6.0 69 69 A 31 GLY H A 24 GLN HA 1.0 0.0 6.0 70 70 A 31 GLY H A 25 LEU H 1.0 0.0 6.0 71 71 A 33 ILE H A 21 GLU H 1.0 0.0 6.0 72 72 A 33 ILE H A 22 LEU HA 1.0 0.0 6.0 73 73 A 29 THR H A 26 ASP H 1.0 0.0 4.0 74 74 A 58 VAL H A 57 ALA H 1.0 0.0 3.0 75 75 A 58 VAL H A 56 GLN H 1.0 0.0 6.0 76 76 A 58 VAL H A 59 THR H 1.0 0.0 6.0 77 77 A 57 ALA H A 56 GLN H 1.0 0.0 4.0 78 78 A 57 ALA H A 54 ARG H 1.0 0.0 6.0 79 79 A 57 ALA H A 58 VAL HGy% 1.0 0.0 5.0 80 80 A 57 ALA H A 58 VAL HGy% 1.0 0.0 6.0 81 81 A 86 ILE H A 85 VAL HA 1.0 0.0 3.0 82 82 A 91 SER H A 90 HIS H 1.0 0.0 3.0 83 83 A 128 LEU H A 127 VAL HA 1.0 0.0 3.0 84 84 A 22 LEU H A 21 GLU HA 1.0 0.0 3.0 85 85 A 33 ILE H A 22 LEU H 1.0 0.0 6.0 86 86 A 24 GLN HA A 25 LEU H 1.0 0.0 3.0 87 87 A 25 LEU H A 30 VAL HA 1.0 0.0 4.0 88 88 A 25 LEU H A 30 VAL HGy% 1.0 0.0 6.0 89 89 A 26 ASP H A 25 LEU HDx% 1.0 0.0 6.0 90 90 A 26 ASP H A 25 LEU HBy 1.0 0.0 5.0 91 91 A 29 THR H A 28 GLN H 1.0 0.0 3.0 92 92 A 29 THR H A 28 GLN HBy 1.0 0.0 6.0 93 93 A 31 GLY H A 23 VAL H 1.0 0.0 4.0 94 94 A 31 GLY H A 30 VAL HGy% 1.0 0.0 6.0 95 95 A 31 GLY H A 30 VAL HGx% 1.0 0.0 5.0 96 96 A 126 LEU HA A 85 VAL HA 1.0 0.0 3.0 97 97 A 76 ASN HA A 70 LEU HA 1.0 0.0 4.0 98 98 A 42 GLN HA A 52 THR HA 1.0 0.0 3.0 99 99 A 96 GLU HA A 82 ILE HA 1.0 0.0 3.0 100 100 A 42 GLN HA A 52 THR HA 1.0 0.0 3.0 101 101 A 31 GLY HAx A 45 ASN HA 1.0 0.0 3.0 102 102 A 101 PHE H A 106 PHE H 1.0 0.0 6.0 103 103 A 101 PHE H A 104 PHE H 1.0 0.0 4.0 104 104 A 99 HIS H A 107 LEU HA 1.0 0.0 5.0 105 105 A 121 CYS HA A 122 LYS H 1.0 0.0 3.0 106 106 A 121 CYS H A 120 VAL HA 1.0 0.0 3.0 107 107 A 107 LEU HA A 98 ARG H 1.0 0.0 6.0 108 108 A 97 ILE HD1% A 79 VAL HA 1.0 0.0 6.0 109 109 A 19 TRP HA A 20 GLY H 1.0 0.0 3.0 110 110 A 128 LEU HA A 83 VAL HA 1.0 0.0 4.0 111 111 A 104 PHE HA A 105 ALA H 1.0 0.0 3.0 112 112 A 107 LEU HA A 98 ARG HA 1.0 0.0 6.0 113 113 A 106 PHE HD% A 118 MET HE% 1.0 0.0 4.0 114 114 A 96 GLU HA A 82 ILE HA 1.0 0.0 3.0 115 115 A 76 ASN HA A 70 LEU HA 1.0 0.0 4.0 116 116 A 121 CYS H A 105 ALA H 1.0 0.0 4.0 117 117 A 124 ARG H A 123 THR H 1.0 0.0 3.0 118 118 A 78 HIS HA A 68 VAL HA 1.0 0.0 3.0 119 119 A 91 SER HA A 87 ASP H 1.0 0.0 5.0 120 120 A 36 LEU H A 34 VAL HA 1.0 0.0 6.0 121 121 A 36 LEU H A 42 GLN H 1.0 0.0 6.0 122 122 A 36 LEU H A 35 ARG HA 1.0 0.0 3.0 123 123 A 36 LEU H A 35 ARG H 1.0 0.0 5.0 124 124 A 36 LEU H A 37 GLU H 1.0 0.0 5.0 125 125 A 41 PHE H A 40 THR H 1.0 0.0 5.0 126 126 A 40 THR H A 38 ARG H 1.0 0.0 5.0 127 127 A 37 GLU H A 40 THR H 1.0 0.0 5.0 128 128 A 40 THR H A 38 ARG H 1.0 0.0 4.0 129 129 A 33 ILE HA A 43 VAL HA 1.0 0.0 3.0 130 130 A 44 LEU H A 43 VAL HA 1.0 0.0 3.0 131 131 A 43 VAL HA A 34 VAL H 1.0 0.0 4.0 132 132 A 45 ASN H A 50 VAL HA 1.0 0.0 5.0 133 133 A 44 LEU HA A 50 VAL HA 1.0 0.0 3.0 134 134 A 51 VAL H A 50 VAL HA 1.0 0.0 3.0 135 135 A 43 VAL H A 50 VAL HA 1.0 0.0 6.0 136 136 A 41 PHE H A 55 HIS H 1.0 0.0 5.0 137 137 A 56 GLN H A 55 HIS H 1.0 0.0 4.0 138 138 A 57 ALA H A 55 HIS H 1.0 0.0 5.0 139 139 A 24 GLN HA A 30 VAL HA 1.0 0.0 3.0 140 140 A 25 LEU H A 29 THR H 1.0 0.0 5.0 141 141 A 43 VAL H A 52 THR HA 1.0 0.0 4.0 142 142 A 43 VAL H A 51 VAL H 1.0 0.0 4.0 143 143 A 32 VAL HGy% A 44 LEU H 1.0 0.0 4.0 144 144 A 45 ASN H A 50 VAL HA 1.0 0.0 4.0 145 145 A 51 VAL H A 45 ASN H 1.0 0.0 5.0 146 146 A 47 TYR H A 48 GLY H 1.0 0.0 3.0 147 147 A 49 LYS H A 47 TYR H 1.0 0.0 4.0 148 148 A 71 ASP H A 77 ILE HD1% 1.0 0.0 5.0 149 149 A 71 ASP H A 74 GLN HA 1.0 0.0 5.0 150 150 A 73 GLU H A 74 GLN H 1.0 0.0 3.0 151 151 A 21 GLU H A 19 TRP HA 1.0 0.0 4.0 152 152 A 31 GLY H A 23 VAL H 1.0 0.0 4.0 153 153 A 23 VAL H A 32 VAL HA 1.0 0.0 4.0 154 154 A 44 LEU H A 32 VAL H 1.0 0.0 4.0 155 155 A 43 VAL HA A 34 VAL H 1.0 0.0 3.0 156 156 A 37 GLU H A 41 PHE HA 1.0 0.0 4.0 157 157 A 40 THR H A 39 GLU H 1.0 0.0 3.0 158 158 A 53 VAL H A 41 PHE H 1.0 0.0 4.0 159 159 A 41 PHE H A 52 THR HA 1.0 0.0 6.0 160 160 A 106 PHE H A 99 HIS H 1.0 0.0 4.0 161 161 A 119 PHE H A 107 LEU H 1.0 0.0 3.0 162 162 A 107 LEU H A 120 VAL HA 1.0 0.0 4.0 163 163 A 119 PHE HE% A 107 LEU HDx% 1.0 0.0 6.0 164 164 A 119 PHE HD% A 107 LEU HDx% 1.0 0.0 6.0 165 165 A 109 CYS H A 119 PHE HD% 1.0 0.0 5.0 166 166 A 119 PHE HD% A 109 CYS HBy 1.0 0.0 5.0 167 167 A 119 PHE H A 107 LEU HBy 1.0 0.0 5.0 168 168 A 119 PHE H A 108 HIS HA 1.0 0.0 4.0 169 169 A 121 CYS H A 107 LEU HDx% 1.0 0.0 4.0 170 170 A 120 VAL HGy% A 30 VAL HGx% 1.0 0.0 3.0 171 171 A 24 GLN HA A 30 VAL HGy% 1.0 0.0 3.0 172 172 A 32 VAL HGx% A 22 LEU HA 1.0 0.0 4.0 173 173 A 32 VAL HGx% A 118 MET HE% 1.0 0.0 3.0 174 174 A 32 VAL HGx% A 22 LEU HDy% 1.0 0.0 4.0 175 175 A 22 LEU HA A 32 VAL HA 1.0 0.0 3.0 176 176 A 23 VAL H A 22 LEU HA 1.0 0.0 3.0 177 177 A 42 GLN HA A 43 VAL H 1.0 0.0 3.0 178 178 A 43 VAL H A 51 VAL H 1.0 0.0 4.0 179 179 A 45 ASN H A 44 LEU HA 1.0 0.0 3.0 180 180 A 45 ASN H A 49 LYS H 1.0 0.0 4.0 181 181 A 51 VAL H A 45 ASN H 1.0 0.0 5.0 182 182 A 45 ASN H A 43 VAL HGx% 1.0 0.0 5.5 183 183 A 31 GLY H A 23 VAL H 1.0 0.0 3.0 184 184 A 25 LEU H A 26 ASP H 1.0 0.0 3.0 185 185 A 25 LEU H A 29 THR HB 1.0 0.0 6.0 186 186 A 30 VAL H A 46 MET HGy 1.0 0.0 5.0 187 186 A 30 VAL H A 46 MET HGx 1.0 0.0 5.0 188 187 A 31 GLY H A 30 VAL HA 1.0 0.0 3.0 189 188 A 31 GLY H A 30 VAL HB 1.0 0.0 3.0 190 189 A 44 LEU H A 32 VAL H 1.0 0.0 3.0 191 190 A 32 VAL H A 43 VAL HGx% 1.0 0.0 3.0 192 191 A 33 ILE H A 32 VAL HA 1.0 0.0 3.0 193 192 A 33 ILE HA A 34 VAL H 1.0 0.0 3.0 194 193 A 35 ARG H A 34 VAL H 1.0 0.0 3.0 195 194 A 35 ARG H A 41 PHE HA 1.0 0.0 6.0 196 195 A 35 ARG H A 42 GLN H 1.0 0.0 5.0 197 196 A 35 ARG H A 33 ILE HG2% 1.0 0.0 3.0 198 197 A 41 PHE HD% A 37 GLU H 1.0 0.0 4.0 199 198 A 41 PHE H A 40 THR HG2% 1.0 0.0 3.0 200 199 A 41 PHE H A 52 THR HG2% 1.0 0.0 4.0 201 200 A 53 VAL H A 41 PHE H 1.0 0.0 3.0 202 201 A 42 GLN H A 41 PHE HA 1.0 0.0 3.0 203 202 A 42 GLN H A 37 GLU H 1.0 0.0 5.0 204 203 A 42 GLN H A 33 ILE HG2% 1.0 0.0 5.0 205 204 A 108 HIS HA A 118 MET HA 1.0 0.0 3.0 206 205 A 118 MET HA A 119 PHE HD% 1.0 0.0 4.0 207 206 A 118 MET HA A 44 LEU HDx% 1.0 0.0 4.0 208 206 A 118 MET HA A 44 LEU HDy% 1.0 0.0 4.0 209 207 A 109 CYS H A 118 MET HA 1.0 0.0 4.0 210 208 A 119 PHE H A 118 MET HA 1.0 0.0 3.0 211 209 A 117 GLY H A 116 GLY H 1.0 0.0 3.0 212 210 A 94 GLU H A 93 ARG HA 1.0 0.0 3.0 213 211 A 85 VAL H A 94 GLU HA 1.0 0.0 3.0 214 212 A 94 GLU HA A 95 GLY H 1.0 0.0 3.0 215 213 A 94 GLU HA A 84 LYS HA 1.0 0.0 3.0 216 214 A 85 VAL H A 84 LYS HA 1.0 0.0 3.0 217 215 A 85 VAL H A 85 VAL HB 1.0 0.0 3.0 218 216 A 84 LYS H A 83 VAL HA 1.0 0.0 3.0 219 217 A 127 VAL H A 84 LYS H 1.0 0.0 4.0 220 218 A 84 LYS H A 129 ALA H 1.0 0.0 5.0 221 219 A 87 ASP H A 85 VAL HGy% 1.0 0.0 3.0 222 220 A 85 VAL HGy% A 92 GLY H 1.0 0.0 4.0 223 221 A 85 VAL HGy% A 91 SER HBx 1.0 0.0 4.0 224 221 A 85 VAL HGy% A 91 SER HBy 1.0 0.0 4.0 225 222 A 91 SER HA A 85 VAL HGy% 1.0 0.0 4.0 226 223 A 93 ARG H A 85 VAL HGy% 1.0 0.0 5.0 227 224 A 93 ARG H A 92 GLY H 1.0 0.0 3.0 228 225 A 91 SER H A 90 HIS H 1.0 0.0 3.0 229 226 A 91 SER H A 85 VAL HGy% 1.0 0.0 5.0 230 227 A 81 ASP H A 80 LYS H 1.0 0.0 4.0 231 228 A 80 LYS H A 78 HIS H 1.0 0.0 5.0 232 229 A 80 LYS H A 97 ILE HG2% 1.0 0.0 4.0 233 230 A 78 HIS HA A 79 VAL H 1.0 0.0 3.0 234 231 A 77 ILE HD1% A 71 ASP HBy 1.0 0.0 4.0 235 232 A 77 ILE HD1% A 71 ASP HBx 1.0 0.0 5.0 236 233 A 77 ILE HD1% A 69 ALA HB% 1.0 0.0 4.0 237 234 A 125 HIS H A 126 LEU H 1.0 0.0 3.0 238 235 A 127 VAL H A 84 LYS H 1.0 0.0 3.0 239 236 A 126 LEU HA A 127 VAL H 1.0 0.0 3.0 240 237 A 127 VAL H A 83 VAL HA 1.0 0.0 5.0 241 238 A 86 ILE H A 126 LEU HA 1.0 0.0 4.0 242 239 A 84 LYS H A 128 LEU HA 1.0 0.0 4.0 243 240 A 95 GLY H A 107 LEU HDx% 1.0 0.0 5.0 244 240 A 95 GLY H A 107 LEU HDy% 1.0 0.0 5.0 245 241 A 95 GLY H A 84 LYS HA 1.0 0.0 3.0 246 242 A 83 VAL H A 95 GLY H 1.0 0.0 4.0 247 243 A 99 HIS H A 98 ARG H 1.0 0.0 3.0 248 244 A 106 PHE H A 100 LEU HA 1.0 0.0 3.0 249 245 A 106 PHE H A 105 ALA HA 1.0 0.0 3.0 250 246 A 100 LEU HA A 105 ALA HB% 1.0 0.0 4.0 251 247 A 83 VAL HA A 129 ALA H 1.0 0.0 3.0 252 248 A 86 ILE H A 87 ASP H 1.0 0.0 3.0 253 249 A 86 ILE H A 91 SER HBx 1.0 0.0 5.0 254 249 A 86 ILE H A 91 SER HBy 1.0 0.0 5.0 255 250 A 91 SER H A 90 HIS H 1.0 0.0 3.0 256 251 A 90 HIS H A 85 VAL HGy% 1.0 0.0 5.0 257 252 A 91 SER H A 89 PRO HA 1.0 0.0 5.0 258 253 A 92 GLY H A 85 VAL HGx% 1.0 0.0 5.0 259 254 A 85 VAL HB A 92 GLY H 1.0 0.0 5.0 260 255 A 93 ARG H A 85 VAL HB 1.0 0.0 4.0 261 256 A 116 GLY H A 115 ASN H 1.0 0.0 4.0 262 257 A 116 GLY H A 115 ASN H 1.0 0.0 3.0 263 258 A 115 ASN H A 114 GLU HBx 1.0 0.0 4.0 264 258 A 115 ASN H A 114 GLU HBy 1.0 0.0 4.0 265 259 A 115 ASN H A 114 GLU HGx 1.0 0.0 5.0 266 260 A 115 ASN H A 114 GLU HA 1.0 0.0 4.0 267 261 A 114 GLU H A 113 VAL H 1.0 0.0 3.0 268 262 A 114 GLU H A 112 LEU HDy% 1.0 0.0 4.0 269 263 A 114 GLU H A 113 VAL HGx% 1.0 0.0 4.0 270 263 A 114 GLU H A 113 VAL HGy% 1.0 0.0 4.0 271 264 A 114 GLU H A 112 LEU HG 1.0 0.0 5.0 272 265 A 114 GLU H A 113 VAL HA 1.0 0.0 5.0 273 266 A 114 GLU H A 112 LEU HA 1.0 0.0 6.0 274 267 A 113 VAL H A 112 LEU H 1.0 0.0 5.0 275 268 A 113 VAL H A 112 LEU HA 1.0 0.0 3.0 276 269 A 113 VAL H A 112 LEU HDx% 1.0 0.0 6.0 277 270 A 113 VAL H A 112 LEU HDy% 1.0 0.0 5.0 278 271 A 113 VAL H A 112 LEU HBy 1.0 0.0 6.0 279 272 A 113 VAL H A 112 LEU HG 1.0 0.0 6.0 280 273 A 112 LEU H A 111 LYS H 1.0 0.0 3.0 281 274 A 112 LEU H A 111 LYS HDx 1.0 0.0 5.0 282 274 A 112 LEU H A 111 LYS HDy 1.0 0.0 5.0 283 275 A 112 LEU HA A 112 LEU H 1.0 0.0 4.0 284 276 A 111 LYS H A 110 LYS H 1.0 0.0 6.0 285 277 A 109 CYS H A 110 LYS H 1.0 0.0 6.0 286 278 A 110 LYS H A 109 CYS HA 1.0 0.0 3.0 287 279 A 90 HIS H A 89 PRO HA 1.0 0.0 4.0 288 280 A 90 HIS H A 91 SER HBx 1.0 0.0 4.0 289 280 A 90 HIS H A 91 SER HBy 1.0 0.0 4.0 290 281 A 88 GLY H A 87 ASP HBy 1.0 0.0 4.0 291 282 A 88 GLY H A 87 ASP HBx 1.0 0.0 5.0 292 283 A 88 GLY H A 89 PRO HDx 1.0 0.0 5.0 293 284 A 121 CYS H A 122 LYS H 1.0 0.0 6.0 294 285 A 122 LYS H A 121 CYS HBx 1.0 0.0 5.0 295 286 A 122 LYS H A 121 CYS HBy 1.0 0.0 4.0 296 287 A 105 ALA H A 123 THR H 1.0 0.0 4.0 297 288 A 124 ARG H A 124 ARG HA 1.0 0.0 3.0 298 289 A 124 ARG H A 123 THR HG2% 1.0 0.0 6.0 299 290 A 125 HIS H A 124 ARG HA 1.0 0.0 4.0 300 291 A 128 LEU HA A 129 ALA H 1.0 0.0 3.0 301 292 A 129 ALA H A 83 VAL HGy% 1.0 0.0 4.0 302 293 A 123 THR H A 123 THR HG2% 1.0 0.0 3.0 303 294 A 104 PHE HA A 123 THR H 1.0 0.0 4.0 304 295 A 112 LEU H A 111 LYS HA 1.0 0.0 5.0 305 296 A 112 LEU H A 110 LYS H 1.0 0.0 5.0 306 297 A 122 LYS H A 123 THR H 1.0 0.0 5.0 307 298 A 122 LYS H A 124 ARG H 1.0 0.0 5.0 308 299 A 122 LYS H A 125 HIS H 1.0 0.0 6.0 309 300 A 104 PHE HD% A 123 THR H 1.0 0.0 6.0 310 301 A 91 SER H A 90 HIS HA 1.0 0.0 4.0 311 302 A 91 SER H A 92 GLY H 1.0 0.0 5.0 312 303 A 91 SER H A 88 GLY H 1.0 0.0 6.0 313 304 A 93 ARG H A 91 SER H 1.0 0.0 6.0 314 305 A 91 SER H A 87 ASP H 1.0 0.0 6.0 315 306 A 86 ILE H A 92 GLY H 1.0 0.0 6.0 316 307 A 85 VAL H A 92 GLY H 1.0 0.0 5.0 317 308 A 92 GLY H A 86 ILE HD1% 1.0 0.0 5.0 318 309 A 91 SER HA A 92 GLY H 1.0 0.0 3.0 319 310 A 98 ARG H A 108 HIS H 1.0 0.0 5.0 320 311 A 97 ILE H A 108 HIS H 1.0 0.0 5.0 321 312 A 107 LEU HA A 108 HIS H 1.0 0.0 3.0 322 313 A 107 LEU HBy A 108 HIS H 1.0 0.0 5.0 323 314 A 108 HIS H A 107 LEU HDx% 1.0 0.0 5.0 324 315 A 110 LYS H A 110 LYS HA 1.0 0.0 3.0 325 316 A 112 LEU H A 111 LYS HA 1.0 0.0 4.0 326 317 A 88 GLY H A 91 SER HBx 1.0 0.0 4.0 327 317 A 91 SER HBy A 88 GLY H 1.0 0.0 4.0 328 318 A 102 ARG H A 101 PHE HA 1.0 0.0 3.0 329 319 A 102 ARG H A 102 ARG HA 1.0 0.0 3.0 330 320 A 119 PHE HE% A 107 LEU HDx% 1.0 0.0 4.0 331 321 A 119 PHE HD% A 107 LEU HDx% 1.0 0.0 5.0 332 322 A 119 PHE HZ A 107 LEU HDx% 1.0 0.0 5.0 333 323 A 97 ILE HG2% A 107 LEU HDx% 1.0 0.0 5.0 334 324 A 119 PHE HA A 107 LEU HDx% 1.0 0.0 5.0 335 325 A 98 ARG H A 107 LEU HDy% 1.0 0.0 5.0 336 326 A 97 ILE H A 107 LEU HDy% 1.0 0.0 4.0 337 327 A 107 LEU HDy% A 83 VAL HGy% 1.0 0.0 4.0 338 328 A 107 LEU HDy% A 97 ILE HA 1.0 0.0 3.0 339 329 A 107 LEU HDy% A 97 ILE HG1x 1.0 0.0 5.0 340 330 A 119 PHE HE% A 107 LEU HDy% 1.0 0.0 6.0 341 331 A 119 PHE HD% A 107 LEU HDy% 1.0 0.0 6.0 342 332 A 107 LEU HDy% A 119 PHE HZ 1.0 0.0 6.0 343 333 A 111 LYS H A 110 LYS H 1.0 0.0 5.0 344 334 A 111 LYS H A 111 LYS HA 1.0 0.0 3.0 345 335 A 124 ARG H A 123 THR HA 1.0 0.0 4.0 346 336 A 96 GLU H A 95 GLY HAx 1.0 0.0 3.0 347 337 A 96 GLU H A 95 GLY HAy 1.0 0.0 3.0 348 338 A 96 GLU HA A 97 ILE H 1.0 0.0 3.0 349 339 A 107 LEU H A 106 PHE HA 1.0 0.0 3.0 350 340 A 106 PHE HD% A 107 LEU H 1.0 0.0 5.0 351 341 A 107 LEU H A 120 VAL HGx% 1.0 0.0 5.0 352 342 A 32 VAL HGx% A 99 HIS HD2 1.0 0.0 3.0 353 343 A 32 VAL HGy% A 99 HIS HD2 1.0 0.0 3.0 354 344 A 99 HIS HD2 A 32 VAL HB 1.0 0.0 6.0 355 345 A 106 PHE HD% A 99 HIS HD2 1.0 0.0 5.0 356 346 A 99 HIS HD2 A 106 PHE HBx 1.0 0.0 5.0 357 347 A 106 PHE HD% A 32 VAL HB 1.0 0.0 6.0 358 348 A 32 VAL HGx% A 106 PHE HD% 1.0 0.0 5.0 359 349 A 32 VAL HGy% A 118 MET HE% 1.0 0.0 3.0 360 350 A 118 MET HE% A 32 VAL HB 1.0 0.0 5.0 361 351 A 19 TRP HZ2 A 118 MET HE% 1.0 0.0 6.0 362 352 A 118 MET HE% A 19 TRP HE3 1.0 0.0 5.0 363 353 A 118 MET HE% A 99 HIS HD2 1.0 0.0 6.0 364 354 A 118 MET HE% A 20 GLY HAy 1.0 0.0 5.0 365 355 A 77 ILE HD1% A 69 ALA HB% 1.0 0.0 4.0 366 356 A 108 HIS HA A 109 CYS H 1.0 0.0 3.0 367 357 A 98 ARG H A 97 ILE HA 1.0 0.0 3.0 368 358 A 97 ILE H A 98 ARG H 1.0 0.0 6.0 369 359 A 99 HIS H A 100 LEU H 1.0 0.0 5.0 370 360 A 106 PHE HD% A 99 HIS H 1.0 0.0 6.0 371 361 A 99 HIS H A 98 ARG HA 1.0 0.0 6.0 372 362 A 99 HIS H A 97 ILE HA 1.0 0.0 5.0 373 363 A 118 MET H A 108 HIS HD2 1.0 0.0 6.0 374 364 A 32 VAL HGx% A 20 GLY H 1.0 0.0 5.0 375 365 A 20 GLY H A 33 ILE HG2% 1.0 0.0 4.0 376 366 A 36 LEU HDx% A 20 GLY H 1.0 0.0 6.0 377 367 A 20 GLY H A 33 ILE HB 1.0 0.0 5.0 378 368 A 23 VAL H A 22 LEU HDy% 1.0 0.0 4.0 379 369 A 31 GLY H A 22 LEU HDy% 1.0 0.0 6.0 380 370 A 106 PHE HD% A 22 LEU HDy% 1.0 0.0 5.0 381 371 A 32 VAL HGy% A 22 LEU HDy% 1.0 0.0 5.0 382 372 A 30 VAL HGx% A 22 LEU HDy% 1.0 0.0 4.0 383 373 A 31 GLY H A 23 VAL HGx% 1.0 0.0 4.0 384 374 A 43 VAL HGx% A 23 VAL HGx% 1.0 0.0 4.0 385 375 A 45 ASN H A 44 LEU HDx% 1.0 0.0 5.0 386 376 A 18 GLU H A 19 TRP H 1.0 0.0 5.0 387 377 A 17 HIS HD2 A 18 GLU H 1.0 0.0 5.0 388 378 A 33 ILE HD1% A 18 GLU H 1.0 0.0 4.0 389 379 A 18 GLU H A 17 HIS HA 1.0 0.0 3.0 390 380 A 18 GLU H A 17 HIS HBy 1.0 0.0 3.0 391 381 A 18 GLU H A 17 HIS HBx 1.0 0.0 3.0 392 382 A 17 HIS H A 16 GLN H 1.0 0.0 3.0 393 383 A 33 ILE HD1% A 17 HIS H 1.0 0.0 6.0 394 384 A 17 HIS H A 16 GLN HBx 1.0 0.0 4.0 395 385 A 17 HIS H A 16 GLN HBy 1.0 0.0 4.0 396 386 A 19 TRP HZ2 A 116 GLY H 1.0 0.0 6.0 397 387 A 19 TRP HZ2 A 108 HIS HD2 1.0 0.0 5.0 398 388 A 19 TRP HZ2 A 116 GLY HAy 1.0 0.0 3.0 399 389 A 19 TRP HZ2 A 116 GLY HAx 1.0 0.0 3.0 400 390 A 19 TRP HZ2 A 34 VAL HB 1.0 0.0 5.0 401 391 A 34 VAL HGy% A 19 TRP HZ2 1.0 0.0 6.0 402 392 A 20 GLY H A 19 TRP HE3 1.0 0.0 5.0 403 393 A 19 TRP HD1 A 20 GLY H 1.0 0.0 6.0 404 394 A 19 TRP HD1 A 34 VAL HA 1.0 0.0 4.0 405 395 A 19 TRP HD1 A 35 ARG HA 1.0 0.0 6.0 406 396 A 118 MET HE% A 19 TRP HH2 1.0 0.0 5.0 407 397 A 98 ARG H A 118 MET HE% 1.0 0.0 6.0 408 398 A 119 PHE H A 118 MET HE% 1.0 0.0 5.0 409 399 A 118 MET HE% A 99 HIS HD2 1.0 0.0 6.0 410 400 A 100 LEU H A 79 VAL HGx% 1.0 0.0 6.0 411 401 A 80 LYS H A 79 VAL HGx% 1.0 0.0 5.0 412 402 A 33 ILE HD1% A 22 LEU H 1.0 0.0 6.0 413 403 A 33 ILE HD1% A 21 GLU H 1.0 0.0 5.0 414 404 A 33 ILE HD1% A 41 PHE HD% 1.0 0.0 6.0 415 405 A 33 ILE HD1% A 17 HIS HBy 1.0 0.0 4.0 416 406 A 33 ILE HD1% A 17 HIS HBx 1.0 0.0 5.0 417 407 A 33 ILE HD1% A 21 GLU HBx 1.0 0.0 4.0 418 408 A 33 ILE HD1% A 21 GLU HBy 1.0 0.0 5.0 419 409 A 33 ILE HD1% A 23 VAL HGx% 1.0 0.0 5.0 420 410 A 33 ILE HD1% A 23 VAL HGy% 1.0 0.0 3.0 421 411 A 33 ILE HD1% A 43 VAL HGy% 1.0 0.0 5.0 422 412 A 24 GLN H A 23 VAL HA 1.0 0.0 3.0 423 413 A 59 THR H A 24 GLN H 1.0 0.0 4.0 424 414 A 23 VAL HGx% A 24 GLN H 1.0 0.0 5.0 425 415 A 23 VAL HGy% A 24 GLN H 1.0 0.0 4.0 426 416 A 59 THR H A 58 VAL HA 1.0 0.0 5.0 427 417 A 59 THR H A 58 VAL HGx% 1.0 0.0 3.0 428 418 A 59 THR H A 58 VAL HGy% 1.0 0.0 5.0 429 419 A 59 THR H A 58 VAL HB 1.0 0.0 3.0 430 420 A 28 GLN H A 27 PRO HA 1.0 0.0 5.0 431 421 A 54 ARG H A 53 VAL HA 1.0 0.0 3.0 432 422 A 54 ARG H A 40 THR HG2% 1.0 0.0 4.0 433 423 A 55 HIS H A 54 ARG HA 1.0 0.0 3.0 434 424 A 96 GLU HA A 97 ILE H 1.0 0.0 3.0 435 425 A 83 VAL H A 96 GLU HA 1.0 0.0 5.0 436 426 A 117 GLY H A 118 MET H 1.0 0.0 3.0 437 427 A 119 PHE H A 118 MET HA 1.0 0.0 6.0 438 428 A 119 PHE H A 118 MET HA 1.0 0.0 5.0 439 429 A 109 CYS H A 119 PHE HD% 1.0 0.0 5.0 440 430 A 109 CYS H A 119 PHE HE% 1.0 0.0 4.0 441 431 A 109 CYS H A 108 HIS HD2 1.0 0.0 3.0 442 432 A 93 ARG H A 94 GLU H 1.0 0.0 5.0 443 433 A 129 ALA H A 130 GLY H 1.0 0.0 5.0 444 434 A 18 GLU H A 17 HIS HA 1.0 0.0 3.0 445 435 A 19 TRP H A 18 GLU HA 1.0 0.0 3.0 446 436 A 36 LEU HDx% A 19 TRP H 1.0 0.0 4.0 447 437 A 19 TRP H A 36 LEU HDy% 1.0 0.0 5.0 448 438 A 24 GLN H A 59 THR HA 1.0 0.0 5.0 449 439 A 24 GLN H A 59 THR HG2% 1.0 0.0 5.0 450 440 A 68 VAL H A 67 ALA HA 1.0 0.0 3.0 451 441 A 77 ILE H A 76 ASN HA 1.0 0.0 3.0 452 442 A 106 PHE HE% A 32 VAL H 1.0 0.0 5.0 453 443 A 32 VAL H A 106 PHE HZ 1.0 0.0 6.0 454 444 A 38 ARG H A 38 ARG HA 1.0 0.0 3.0 455 445 A 41 PHE H A 40 THR HB 1.0 0.0 3.0 456 446 A 48 GLY H A 120 VAL HGx% 1.0 0.0 4.0 457 447 A 120 VAL HGy% A 48 GLY H 1.0 0.0 6.0 458 448 A 48 GLY H A 44 LEU HDx% 1.0 0.0 5.0 459 448 A 48 GLY H A 44 LEU HDy% 1.0 0.0 5.0 460 449 A 60 ARG H A 59 THR HB 1.0 0.0 3.0 461 450 A 79 VAL HA A 80 LYS H 1.0 0.0 4.0 462 451 A 81 ASP H A 82 ILE H 1.0 0.0 5.0 463 452 A 33 ILE HG2% A 19 TRP H 1.0 0.0 5.0 464 453 A 19 TRP HE3 A 19 TRP H 1.0 0.0 5.0 465 454 A 19 TRP HD1 A 19 TRP H 1.0 0.0 5.0 466 455 A 20 GLY H A 33 ILE HB 1.0 0.0 4.0 467 456 A 21 GLU H A 33 ILE HB 1.0 0.0 3.0 468 457 A 33 ILE H A 21 GLU H 1.0 0.0 4.0 469 458 A 33 ILE H A 20 GLY H 1.0 0.0 5.0 470 459 A 33 ILE H A 43 VAL HGx% 1.0 0.0 5.0 471 460 A 31 GLY H A 23 VAL H 1.0 0.0 3.0 472 461 A 23 VAL H A 32 VAL HA 1.0 0.0 3.0 473 462 A 23 VAL H A 33 ILE H 1.0 0.0 5.0 474 463 A 23 VAL H A 22 LEU HDx% 1.0 0.0 3.0 475 464 A 32 VAL HGx% A 23 VAL H 1.0 0.0 5.0 476 465 A 24 GLN H A 59 THR HG2% 1.0 0.0 4.0 477 466 A 30 VAL HGy% A 24 GLN H 1.0 0.0 5.0 478 467 A 24 GLN H A 58 VAL HGx% 1.0 0.0 6.0 479 468 A 26 ASP H A 28 GLN H 1.0 0.0 5.0 480 469 A 26 ASP H A 30 VAL HA 1.0 0.0 5.0 481 470 A 30 VAL H A 29 THR HA 1.0 0.0 3.0 482 471 A 29 THR HG2% A 30 VAL H 1.0 0.0 3.0 483 472 A 41 PHE HA A 36 LEU HA 1.0 0.0 5.0 484 473 A 36 LEU HDx% A 19 TRP HBx 1.0 0.0 4.0 485 474 A 36 LEU HDx% A 19 TRP HBy 1.0 0.0 4.0 486 475 A 36 LEU HDx% A 19 TRP HA 1.0 0.0 4.0 487 476 A 19 TRP HA A 33 ILE HG2% 1.0 0.0 4.0 488 477 A 36 LEU HDx% A 19 TRP HE1 1.0 0.0 5.0 489 478 A 19 TRP HE1 A 34 VAL HA 1.0 0.0 4.0 490 479 A 19 TRP HE1 A 34 VAL HB 1.0 0.0 4.0 491 480 A 19 TRP HE1 A 34 VAL HGx% 1.0 0.0 5.0 492 481 A 19 TRP HE1 A 34 VAL HGy% 1.0 0.0 4.0 493 482 A 19 TRP HE1 A 116 GLY HAy 1.0 0.0 5.0 494 483 A 19 TRP HE1 A 116 GLY HAx 1.0 0.0 5.0 495 484 A 108 HIS HD2 A 19 TRP HH2 1.0 0.0 4.0 496 485 A 116 GLY HAx A 19 TRP HH2 1.0 0.0 5.0 497 486 A 19 TRP HH2 A 108 HIS HBy 1.0 0.0 5.0 498 487 A 19 TRP HH2 A 118 MET HGx 1.0 0.0 5.0 499 488 A 19 TRP HH2 A 118 MET HGy 1.0 0.0 5.0 500 489 A 118 MET HA A 108 HIS HD2 1.0 0.0 4.0 501 490 A 108 HIS HD2 A 118 MET HGx 1.0 0.0 5.0 502 491 A 108 HIS HD2 A 118 MET HGy 1.0 0.0 5.0 503 492 A 108 HIS HD2 A 117 GLY HAy 1.0 0.0 4.0 504 493 A 108 HIS HD2 A 117 GLY HAx 1.0 0.0 5.0 505 494 A 117 GLY H A 112 LEU HDx% 1.0 0.0 5.0 506 495 A 117 GLY H A 112 LEU HDy% 1.0 0.0 6.0 507 496 A 117 GLY H A 112 LEU HBy 1.0 0.0 5.0 508 497 A 117 GLY H A 112 LEU HBx 1.0 0.0 5.0 509 498 A 117 GLY H A 112 LEU HG 1.0 0.0 5.0 510 499 A 117 GLY H A 115 ASN HBx 1.0 0.0 5.0 511 500 A 117 GLY H A 108 HIS HD2 1.0 0.0 5.0 512 501 A 117 GLY H A 50 VAL HGy% 1.0 0.0 6.0 513 502 A 32 VAL HGx% A 106 PHE HBx 1.0 0.0 4.0 514 503 A 32 VAL HGx% A 106 PHE HBy 1.0 0.0 5.0 515 504 A 32 VAL HGx% A 22 LEU HA 1.0 0.0 3.0 516 505 A 32 VAL HGx% A 20 GLY HAy 1.0 0.0 4.0 517 506 A 32 VAL HGx% A 20 GLY HAx 1.0 0.0 5.0 518 507 A 99 HIS HE1 A 22 LEU HBx 1.0 0.0 5.0 519 508 A 20 GLY H A 99 HIS HE1 1.0 0.0 5.0 520 509 A 31 GLY HAy A 106 PHE HZ 1.0 0.0 5.0 521 510 A 31 GLY HAx A 106 PHE HZ 1.0 0.0 5.0 522 511 A 120 VAL HGy% A 106 PHE HZ 1.0 0.0 5.0 523 512 A 109 CYS H A 112 LEU H 1.0 0.0 5.0 524 513 A 109 CYS HBy A 112 LEU H 1.0 0.0 4.0 525 514 A 112 LEU H A 110 LYS HA 1.0 0.0 4.0 526 515 A 112 LEU H A 117 GLY HAy 1.0 0.0 5.0 527 516 A 112 LEU H A 117 GLY HAx 1.0 0.0 5.0 528 517 A 113 VAL H A 113 VAL HB 1.0 0.0 3.0 529 518 A 114 GLU H A 112 LEU HA 1.0 0.0 4.0 530 519 A 114 GLU H A 112 LEU HDy% 1.0 0.0 4.0 531 520 A 114 GLU H A 112 LEU HDx% 1.0 0.0 5.0 532 521 A 117 GLY H A 115 ASN HBy 1.0 0.0 5.0 533 522 A 41 PHE HA A 33 ILE HG2% 1.0 0.0 5.0 534 523 A 41 PHE HA A 43 VAL HGy% 1.0 0.0 5.0 535 524 A 36 LEU H A 33 ILE HG2% 1.0 0.0 5.0 536 525 A 41 PHE HD% A 36 LEU HA 1.0 0.0 4.0 537 526 A 36 LEU HA A 41 PHE HE% 1.0 0.0 5.0 538 527 A 33 ILE HD1% A 36 LEU HDx% 1.0 0.0 5.0 539 528 A 33 ILE HD1% A 36 LEU HDy% 1.0 0.0 5.0 540 529 A 33 ILE HG2% A 36 LEU HDy% 1.0 0.0 4.0 541 530 A 36 LEU HDx% A 33 ILE HG2% 1.0 0.0 4.0 542 531 A 104 PHE HA A 123 THR H 1.0 0.0 3.3 543 532 A 123 THR H A 103 SER HA 1.0 0.0 5.0 544 533 A 123 THR H A 103 SER HBx 1.0 0.0 5.0 545 533 A 123 THR H A 103 SER HBy 1.0 0.0 5.0 546 534 A 125 HIS HD2 A 125 HIS HA 1.0 0.0 4.0 547 535 A 125 HIS H A 125 HIS HD2 1.0 0.0 4.0 548 536 A 87 ASP HBy A 125 HIS HD2 1.0 0.0 4.0 549 537 A 87 ASP HBx A 125 HIS HD2 1.0 0.0 4.0 550 538 A 42 GLN H A 36 LEU HA 1.0 0.0 5.0 551 539 A 35 ARG H A 42 GLN H 1.0 0.0 4.0 552 540 A 26 ASP H A 30 VAL HGy% 1.0 0.0 5.0 553 541 A 26 ASP H A 29 THR HB 1.0 0.0 5.0 554 542 A 26 ASP H A 24 GLN HGx 1.0 0.0 4.0 555 542 A 26 ASP H A 24 GLN HGy 1.0 0.0 4.0 556 543 A 29 THR H A 26 ASP H 1.0 0.0 3.0 557 544 A 126 LEU H A 124 ARG HA 1.0 0.0 5.0 558 545 A 81 ASP H A 97 ILE HG2% 1.0 0.0 3.0 559 546 A 81 ASP H A 79 VAL HA 1.0 0.0 5.0 560 547 A 79 VAL HA A 97 ILE HG2% 1.0 0.0 4.0 561 548 A 26 ASP H A 29 THR HB 1.0 0.0 3.0 562 549 A 50 VAL HGy% A 115 ASN HD21 1.0 0.0 4.0 563 550 A 50 VAL HGy% A 115 ASN HD22 1.0 0.0 4.0 564 551 A 115 ASN HD21 A 44 LEU HDx% 1.0 0.0 5.0 565 551 A 44 LEU HDy% A 115 ASN HD21 1.0 0.0 5.0 566 552 A 115 ASN HD22 A 44 LEU HDx% 1.0 0.0 5.0 567 552 A 44 LEU HDy% A 115 ASN HD22 1.0 0.0 5.0 568 553 A 97 ILE HD1% A 81 ASP H 1.0 0.0 5.0 569 554 A 97 ILE HD1% A 80 LYS H 1.0 0.0 5.0 570 555 A 97 ILE HG2% A 79 VAL H 1.0 0.0 4.0 571 556 A 77 ILE H A 70 LEU HA 1.0 0.0 5.0 572 557 A 75 ASN H A 74 GLN H 1.0 0.0 3.0 573 558 A 74 GLN HA A 70 LEU HDx% 1.0 0.0 5.0 574 559 A 74 GLN HA A 70 LEU HDy% 1.0 0.0 5.0 575 560 A 128 LEU H A 75 ASN HD21 1.0 0.0 5.0 576 561 A 128 LEU H A 75 ASN HD22 1.0 0.0 5.0 577 562 A 75 ASN HD21 A 128 LEU HDy% 1.0 0.0 5.0 578 563 A 75 ASN HD22 A 128 LEU HDy% 1.0 0.0 5.0 579 564 A 78 HIS H A 77 ILE HG2% 1.0 0.0 3.0 580 565 A 69 ALA HB% A 70 LEU H 1.0 0.0 3.0 581 566 A 69 ALA HB% A 100 LEU HDx% 1.0 0.0 3.0 582 566 A 69 ALA HB% A 100 LEU HDy% 1.0 0.0 3.0 583 567 A 69 ALA HB% A 77 ILE HB 1.0 0.0 4.0 584 568 A 69 ALA H A 77 ILE H 1.0 0.0 4.0 585 569 A 77 ILE H A 70 LEU HDx% 1.0 0.0 4.0 586 570 A 71 ASP H A 70 LEU HDx% 1.0 0.0 4.0 587 571 A 76 ASN HA A 70 LEU HDx% 1.0 0.0 4.0 588 572 A 70 LEU HDx% A 74 GLN HBy 1.0 0.0 5.0 589 572 A 70 LEU HDx% A 74 GLN HBx 1.0 0.0 5.0 590 573 A 70 LEU HDx% A 74 GLN HGy 1.0 0.0 5.0 591 573 A 70 LEU HDx% A 74 GLN HGx 1.0 0.0 5.0 592 574 A 77 ILE HD1% A 123 THR HA 1.0 0.0 5.0 593 575 A 77 ILE HD1% A 123 THR HB 1.0 0.0 5.0 594 576 A 77 ILE HD1% A 123 THR HG2% 1.0 0.0 5.0 595 577 A 82 ILE H A 81 ASP HA 1.0 0.0 3.0 596 578 A 81 ASP H A 97 ILE HB 1.0 0.0 3.0 597 579 A 70 LEU HDx% A 76 ASN HD21 1.0 0.0 5.0 598 580 A 70 LEU HDx% A 76 ASN HD22 1.0 0.0 5.0 599 581 A 115 ASN HD21 A 44 LEU HDx% 1.0 0.0 5.0 600 581 A 44 LEU HDy% A 115 ASN HD21 1.0 0.0 5.0 601 582 A 115 ASN HD22 A 44 LEU HDx% 1.0 0.0 5.0 602 582 A 44 LEU HDy% A 115 ASN HD22 1.0 0.0 5.0 603 583 A 44 LEU H A 43 VAL HGx% 1.0 0.0 3.0 604 584 A 45 ASN HA A 43 VAL HGx% 1.0 0.0 4.0 605 585 A 31 GLY HAy A 43 VAL HGx% 1.0 0.0 4.0 606 586 A 31 GLY HAx A 43 VAL HGx% 1.0 0.0 4.0 607 587 A 120 VAL HGy% A 105 ALA H 1.0 0.0 4.0 608 588 A 105 ALA H A 123 THR HG2% 1.0 0.0 4.0 609 589 A 105 ALA H A 120 VAL HB 1.0 0.0 5.0 610 590 A 106 PHE H A 99 HIS HBy 1.0 0.0 3.0 611 591 A 107 LEU H A 107 LEU HBy 1.0 0.0 3.0 612 592 A 107 LEU H A 118 MET HE% 1.0 0.0 5.0 613 593 A 107 LEU H A 120 VAL HB 1.0 0.0 5.0 614 594 A 109 CYS H A 112 LEU HBx 1.0 0.0 5.0 615 595 A 118 MET H A 115 ASN HBx 1.0 0.0 5.0 616 596 A 118 MET H A 115 ASN HBy 1.0 0.0 5.0 617 597 A 34 VAL HGy% A 118 MET H 1.0 0.0 5.0 618 598 A 112 LEU HDx% A 118 MET H 1.0 0.0 5.0 619 599 A 106 PHE HZ A 46 MET HA 1.0 0.0 4.0 620 600 A 46 MET H A 106 PHE HZ 1.0 0.0 4.0 621 601 A 30 VAL HGx% A 106 PHE HZ 1.0 0.0 4.0 622 602 A 41 PHE HD% A 33 ILE HG2% 1.0 0.0 4.0 623 603 A 41 PHE HD% A 55 HIS HA 1.0 0.0 4.0 624 604 A 41 PHE HD% A 36 LEU HBx 1.0 0.0 5.0 625 604 A 41 PHE HD% A 36 LEU HBy 1.0 0.0 5.0 626 605 A 41 PHE HD% A 36 LEU HG 1.0 0.0 4.0 627 606 A 41 PHE HD% A 58 VAL HGx% 1.0 0.0 4.0 628 607 A 41 PHE HD% A 36 LEU HDy% 1.0 0.0 4.0 629 608 A 41 PHE HD% A 43 VAL HGy% 1.0 0.0 5.0 630 609 A 69 ALA H A 68 VAL HA 1.0 0.0 3.0 631 610 A 69 ALA H A 77 ILE H 1.0 0.0 4.0 632 611 A 69 ALA H A 68 VAL HB 1.0 0.0 4.0 633 612 A 69 ALA H A 77 ILE HD1% 1.0 0.0 5.0 634 613 A 79 VAL H A 100 LEU HDx% 1.0 0.0 4.0 635 613 A 79 VAL H A 100 LEU HDy% 1.0 0.0 4.0 636 614 A 45 ASN H A 48 GLY H 1.0 0.0 5.0 637 615 A 96 GLU HA A 82 ILE H 1.0 0.0 5.0 638 616 A 82 ILE H A 82 ILE HB 1.0 0.0 3.0 639 617 A 82 ILE H A 128 LEU HDx% 1.0 0.0 5.0 640 618 A 83 VAL H A 82 ILE HA 1.0 0.0 3.0 641 619 A 83 VAL H A 97 ILE H 1.0 0.0 4.0 642 620 A 83 VAL H A 107 LEU HDy% 1.0 0.0 5.0 643 621 A 84 LYS H A 129 ALA HA 1.0 0.0 6.0 644 622 A 84 LYS H A 129 ALA HB% 1.0 0.0 4.0 645 623 A 87 ASP H A 125 HIS HBx 1.0 0.0 4.0 646 624 A 87 ASP H A 86 ILE HB 1.0 0.0 4.0 647 625 A 125 HIS HD2 A 124 ARG HGy 1.0 0.0 4.0 648 625 A 125 HIS HD2 A 124 ARG HGx 1.0 0.0 4.0 649 626 A 55 HIS H A 40 THR HA 1.0 0.0 5.0 650 627 A 55 HIS H A 40 THR HG2% 1.0 0.0 4.0 651 628 A 106 PHE HE% A 22 LEU HDy% 1.0 0.0 4.0 652 629 A 106 PHE HE% A 120 VAL HGy% 1.0 0.0 4.0 653 630 A 47 TYR HD% A 30 VAL HGx% 1.0 0.0 6.0 654 631 A 119 PHE HE% A 85 VAL HGx% 1.0 0.0 4.0 655 632 A 85 VAL HGx% A 119 PHE HZ 1.0 0.0 5.0 656 633 A 33 ILE HD1% A 17 HIS HD2 1.0 0.0 4.0 657 634 A 17 HIS HD2 A 41 PHE HZ 1.0 0.0 4.0 658 635 A 17 HIS HBy A 41 PHE HZ 1.0 0.0 5.0 659 636 A 17 HIS HBx A 41 PHE HZ 1.0 0.0 5.0 660 637 A 33 ILE HD1% A 41 PHE HZ 1.0 0.0 6.0 661 638 A 55 HIS HA A 41 PHE HZ 1.0 0.0 6.0 662 639 A 48 GLY H A 44 LEU HG 1.0 0.0 5.0 663 640 A 77 ILE HD1% A 71 ASP HBy 1.0 0.0 3.0 664 641 A 77 ILE HD1% A 105 ALA HB% 1.0 0.0 5.0 665 642 A 67 ALA HB% A 100 LEU HDx% 1.0 0.0 4.0 666 642 A 100 LEU HDy% A 67 ALA HB% 1.0 0.0 4.0 667 643 A 100 LEU H A 67 ALA HB% 1.0 0.0 6.0 668 644 A 30 VAL HGy% A 24 GLN HE21 1.0 0.0 5.0 669 645 A 30 VAL HGy% A 24 GLN HE22 1.0 0.0 5.0 670 646 A 26 ASP H A 24 GLN HE21 1.0 0.0 5.0 671 647 A 27 PRO HA A 24 GLN HE21 1.0 0.0 4.0 672 648 A 27 PRO HA A 24 GLN HE22 1.0 0.0 5.0 673 649 A 26 ASP H A 30 VAL HA 1.0 0.0 4.0 674 650 A 57 ALA H A 55 HIS HA 1.0 0.0 5.0 675 651 A 58 VAL H A 56 GLN HA 1.0 0.0 5.0 676 652 A 58 VAL H A 56 GLN HA 1.0 0.0 4.0 677 653 A 59 THR H A 23 VAL HGx% 1.0 0.0 5.0 678 654 A 59 THR H A 23 VAL HGy% 1.0 0.0 5.0 679 655 A 59 THR H A 23 VAL HB 1.0 0.0 3.0 680 656 A 61 LYS H A 60 ARG HA 1.0 0.0 3.0 681 657 A 23 VAL HGy% A 61 LYS H 1.0 0.0 5.0 682 658 A 67 ALA HB% A 79 VAL HGy% 1.0 0.0 4.0 683 658 A 67 ALA HB% A 79 VAL HGx% 1.0 0.0 4.0 684 659 A 116 GLY H A 113 VAL HGx% 1.0 0.0 6.0 685 659 A 116 GLY H A 113 VAL HGy% 1.0 0.0 6.0 686 660 A 116 GLY H A 114 GLU HBx 1.0 0.0 5.0 687 660 A 116 GLY H A 114 GLU HBy 1.0 0.0 5.0 688 661 A 54 ARG H A 57 ALA HB% 1.0 0.0 3.0 689 662 A 53 VAL HA A 57 ALA HB% 1.0 0.0 4.0 690 663 A 57 ALA HB% A 53 VAL HB 1.0 0.0 3.0 691 664 A 100 LEU H A 67 ALA HB% 1.0 0.0 5.0 692 665 A 121 CYS H A 120 VAL HB 1.0 0.0 4.0 693 666 A 107 LEU H A 121 CYS H 1.0 0.0 5.0 694 667 A 105 ALA HB% A 123 THR HG2% 1.0 0.0 3.0 695 668 A 69 ALA HB% A 123 THR HG2% 1.0 0.0 4.0 696 669 A 93 ARG H A 85 VAL HB 1.0 0.0 3.0 697 670 A 93 ARG H A 91 SER HA 1.0 0.0 4.0 698 671 A 86 ILE H A 126 LEU HA 1.0 0.0 4.0 699 672 A 73 GLU H A 75 ASN HD21 1.0 0.0 6.0 700 673 A 73 GLU H A 75 ASN HD22 1.0 0.0 6.0 701 674 A 71 ASP H A 70 LEU HA 1.0 0.0 3.0 702 675 A 71 ASP H A 75 ASN H 1.0 0.0 3.0 703 676 A 120 VAL HGx% A 48 GLY HAx 1.0 0.0 4.0 704 677 A 120 VAL HGx% A 48 GLY HAy 1.0 0.0 4.0 705 678 A 120 VAL HGx% A 46 MET HA 1.0 0.0 4.0 706 679 A 67 ALA H A 66 PHE H 1.0 0.0 3.0 707 680 A 46 MET HE% A 29 THR HA 1.0 0.0 3.0 708 681 A 47 TYR HE% A 46 MET HE% 1.0 0.0 3.0 709 682 A 120 VAL HGy% A 46 MET HA 1.0 0.0 3.0 710 683 A 32 VAL HGy% A 22 LEU HA 1.0 0.0 4.0 711 684 A 32 VAL HGy% A 106 PHE HBx 1.0 0.0 4.0 712 685 A 32 VAL HGy% A 106 PHE HBy 1.0 0.0 4.0 713 686 A 42 GLN H A 34 VAL HGx% 1.0 0.0 5.0 714 687 A 43 VAL HA A 34 VAL HGx% 1.0 0.0 4.0 715 688 A 34 VAL HGx% A 118 MET HBy 1.0 0.0 4.0 716 689 A 104 PHE HD% A 104 PHE H 1.0 0.0 3.0 717 690 A 104 PHE H A 123 THR HG2% 1.0 0.0 4.0 718 691 A 120 VAL HGy% A 104 PHE H 1.0 0.0 6.0 719 692 A 102 ARG H A 100 LEU HDx% 1.0 0.0 6.0 720 692 A 102 ARG H A 100 LEU HDy% 1.0 0.0 6.0 721 693 A 76 ASN HA A 69 ALA HB% 1.0 0.0 6.0 722 694 A 69 ALA HB% A 67 ALA HA 1.0 0.0 6.0 723 695 A 69 ALA HB% A 102 ARG HA 1.0 0.0 6.0 724 696 A 78 HIS H A 69 ALA HB% 1.0 0.0 6.0 725 697 A 97 ILE HD1% A 81 ASP HBx 1.0 0.0 4.0 726 698 A 97 ILE HD1% A 81 ASP HBy 1.0 0.0 4.0 727 699 A 97 ILE HD1% A 81 ASP H 1.0 0.0 4.0 728 700 A 97 ILE HD1% A 107 LEU HDy% 1.0 0.0 4.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 84 LYS H A 127 VAL O 1.0 0.0 2.3 2 2 A 127 VAL O A 84 LYS N 1.0 0.0 3.3 3 3 A 127 VAL H A 84 LYS O 1.0 0.0 2.3 4 4 A 84 LYS O A 127 VAL N 1.0 0.0 3.3 5 5 A 81 ASP H A 97 ILE O 1.0 0.0 2.3 6 6 A 97 ILE O A 81 ASP N 1.0 0.0 3.3 7 7 A 97 ILE H A 81 ASP O 1.0 0.0 2.3 8 8 A 81 ASP O A 97 ILE N 1.0 0.0 3.3 9 9 A 83 VAL H A 95 GLY O 1.0 0.0 2.3 10 10 A 95 GLY O A 83 VAL N 1.0 0.0 3.3 11 11 A 95 GLY H A 83 VAL O 1.0 0.0 2.3 12 12 A 83 VAL O A 95 GLY N 1.0 0.0 3.3 13 13 A 85 VAL H A 93 ARG O 1.0 0.0 2.3 14 14 A 93 ARG O A 85 VAL N 1.0 0.0 3.3 15 15 A 93 ARG H A 85 VAL O 1.0 0.0 2.3 16 16 A 85 VAL O A 93 ARG N 1.0 0.0 3.3 17 17 A 119 PHE H A 107 LEU O 1.0 0.0 2.3 18 18 A 107 LEU O A 119 PHE N 1.0 0.0 3.3 19 19 A 107 LEU H A 119 PHE O 1.0 0.0 2.3 20 20 A 119 PHE O A 107 LEU N 1.0 0.0 3.3 21 21 A 101 PHE H A 104 PHE O 1.0 0.0 2.3 22 22 A 104 PHE O A 101 PHE N 1.0 0.0 3.3 23 23 A 104 PHE H A 101 PHE O 1.0 0.0 2.3 24 24 A 101 PHE O A 104 PHE N 1.0 0.0 3.3 25 25 A 106 PHE H A 99 HIS O 1.0 0.0 2.3 26 26 A 99 HIS O A 106 PHE N 1.0 0.0 3.3 27 27 A 99 HIS H A 106 PHE O 1.0 0.0 2.3 28 28 A 106 PHE O A 99 HIS N 1.0 0.0 3.3 29 29 A 105 ALA H A 121 CYS O 1.0 0.0 2.3 30 30 A 121 CYS O A 105 ALA N 1.0 0.0 3.3 31 31 A 121 CYS H A 105 ALA O 1.0 0.0 2.3 32 32 A 105 ALA O A 121 CYS N 1.0 0.0 3.3 33 33 A 71 ASP H A 75 ASN O 1.0 0.0 2.3 34 34 A 75 ASN O A 71 ASP N 1.0 0.0 3.3 35 35 A 75 ASN H A 71 ASP O 1.0 0.0 2.3 36 36 A 71 ASP O A 75 ASN N 1.0 0.0 3.3 37 37 A 69 ALA H A 77 ILE O 1.0 0.0 2.3 38 38 A 77 ILE O A 69 ALA N 1.0 0.0 3.3 39 39 A 77 ILE H A 69 ALA O 1.0 0.0 2.3 40 40 A 69 ALA O A 77 ILE N 1.0 0.0 3.3 41 41 A 53 VAL H A 41 PHE O 1.0 0.0 2.3 42 42 A 41 PHE O A 53 VAL N 1.0 0.0 3.3 43 43 A 41 PHE H A 53 VAL O 1.0 0.0 2.3 44 44 A 53 VAL O A 41 PHE N 1.0 0.0 3.3 45 45 A 51 VAL H A 43 VAL O 1.0 0.0 2.3 46 46 A 43 VAL O A 51 VAL N 1.0 0.0 3.3 47 47 A 43 VAL H A 51 VAL O 1.0 0.0 2.3 48 48 A 51 VAL O A 43 VAL N 1.0 0.0 3.3 49 49 A 49 LYS H A 45 ASN O 1.0 0.0 2.3 50 50 A 45 ASN O A 49 LYS N 1.0 0.0 3.3 51 51 A 45 ASN H A 49 LYS O 1.0 0.0 2.3 52 52 A 49 LYS O A 45 ASN N 1.0 0.0 3.3 53 53 A 44 LEU H A 32 VAL O 1.0 0.0 2.3 54 54 A 32 VAL O A 44 LEU N 1.0 0.0 3.3 55 55 A 32 VAL H A 44 LEU O 1.0 0.0 2.3 56 56 A 44 LEU O A 32 VAL N 1.0 0.0 3.3 57 57 A 31 GLY H A 23 VAL O 1.0 0.0 2.3 58 58 A 23 VAL O A 31 GLY N 1.0 0.0 3.3 59 59 A 23 VAL H A 31 GLY O 1.0 0.0 2.3 60 60 A 31 GLY O A 23 VAL N 1.0 0.0 3.3 61 61 A 33 ILE H A 21 GLU O 1.0 0.0 2.3 62 62 A 21 GLU O A 33 ILE N 1.0 0.0 3.3 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 17 HIS C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -164.69 -51.17 PHI 2 2 A 19 TRP C A 20 GLY N A 20 GLY CA A 20 GLY C 1.0 67.82 113.06 PHI 3 3 A 22 LEU C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -165.73 -65.37 PHI 4 4 A 23 VAL C A 24 GLN N A 24 GLN CA A 24 GLN C 1.0 -165.38 -50.46 PHI 5 5 A 29 THR C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -164.33 -106.05 PHI 6 6 A 31 GLY C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -152.73 -91.21 PHI 7 7 A 36 LEU C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -150.29 -43.53 PHI 8 8 A 39 GLU C A 40 THR N A 40 THR CA A 40 THR C 1.0 -166.62 -95.70 PHI 9 9 A 40 THR C A 41 PHE N A 41 PHE CA A 41 PHE C 1.0 -156.17 -99.01 PHI 10 10 A 41 PHE C A 42 GLN N A 42 GLN CA A 42 GLN C 1.0 -146.06 -75.02 PHI 11 11 A 42 GLN C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -154.14 -103.34 PHI 12 12 A 43 VAL C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -146.02 -79.78 PHI 13 13 A 44 LEU C A 45 ASN N A 45 ASN CA A 45 ASN C 1.0 -164.11 -42.47 PHI 14 14 A 47 TYR C A 48 GLY N A 48 GLY CA A 48 GLY C 1.0 57.28 113.12 PHI 15 15 A 48 GLY C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -136.91 -68.15 PHI 16 16 A 49 LYS C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -135.94 -70.18 PHI 17 17 A 50 VAL C A 51 VAL N A 51 VAL CA A 51 VAL C 1.0 -153.22 -84.82 PHI 18 18 A 51 VAL C A 52 THR N A 52 THR CA A 52 THR C 1.0 -116.66 -57.02 PHI 19 19 A 52 THR C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -155.98 -93.30 PHI 20 20 A 54 ARG C A 55 HIS N A 55 HIS CA A 55 HIS C 1.0 -88.35 -36.23 PHI 21 21 A 55 HIS C A 56 GLN N A 56 GLN CA A 56 GLN C 1.0 -86.11 -52.31 PHI 22 22 A 57 ALA C A 58 VAL N A 58 VAL CA A 58 VAL C 1.0 -167.82 -73.58 PHI 23 23 A 58 VAL C A 59 THR N A 59 THR CA A 59 THR C 1.0 -163.06 -52.06 PHI 24 24 A 60 ARG C A 61 LYS N A 61 LYS CA A 61 LYS C 1.0 -144.20 -44.68 PHI 25 25 A 64 ASN C A 65 ARG N A 65 ARG CA A 65 ARG C 1.0 -94.42 -45.38 PHI 26 26 A 67 ALA C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -160.05 -80.93 PHI 27 27 A 68 VAL C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -181.43 -105.31 PHI 28 28 A 69 ALA C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -145.46 -85.42 PHI 29 29 A 70 LEU C A 71 ASP N A 71 ASP CA A 71 ASP C 1.0 -112.09 -60.73 PHI 30 30 A 72 SER C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -121.44 -69.64 PHI 31 31 A 73 GLU C A 74 GLN N A 74 GLN CA A 74 GLN C 1.0 45.05 78.85 PHI 32 32 A 77 ILE C A 78 HIS N A 78 HIS CA A 78 HIS C 1.0 -146.78 -56.18 PHI 33 33 A 78 HIS C A 79 VAL N A 79 VAL CA A 79 VAL C 1.0 -68.92 -48.84 PHI 34 34 A 82 ILE C A 83 VAL N A 83 VAL CA A 83 VAL C 1.0 -148.92 -119.92 PHI 35 35 A 83 VAL C A 84 LYS N A 84 LYS CA A 84 LYS C 1.0 -175.26 -86.70 PHI 36 36 A 86 ILE C A 87 ASP N A 87 ASP CA A 87 ASP C 1.0 -184.51 -63.83 PHI 37 37 A 89 PRO C A 90 HIS N A 90 HIS CA A 90 HIS C 1.0 -86.65 -49.49 PHI 38 38 A 91 SER C A 92 GLY N A 92 GLY CA A 92 GLY C 1.0 86.97 104.85 PHI 39 39 A 92 GLY C A 93 ARG N A 93 ARG CA A 93 ARG C 1.0 -151.84 -27.52 PHI 40 40 A 93 ARG C A 94 GLU N A 94 GLU CA A 94 GLU C 1.0 -171.70 -100.34 PHI 41 41 A 96 GLU C A 97 ILE N A 97 ILE CA A 97 ILE C 1.0 -89.83 -53.19 PHI 42 42 A 98 ARG C A 99 HIS N A 99 HIS CA A 99 HIS C 1.0 -179.43 -113.11 PHI 43 43 A 99 HIS C A 100 LEU N A 100 LEU CA A 100 LEU C 1.0 -160.79 -87.67 PHI 44 44 A 100 LEU C A 101 PHE N A 101 PHE CA A 101 PHE C 1.0 -184.78 -68.74 PHI 45 45 A 104 PHE C A 105 ALA N A 105 ALA CA A 105 ALA C 1.0 -166.14 -102.86 PHI 46 46 A 105 ALA C A 106 PHE N A 106 PHE CA A 106 PHE C 1.0 -144.76 -72.00 PHI 47 47 A 106 PHE C A 107 LEU N A 107 LEU CA A 107 LEU C 1.0 -165.72 -72.16 PHI 48 48 A 107 LEU C A 108 HIS N A 108 HIS CA A 108 HIS C 1.0 -175.71 -98.07 PHI 49 49 A 108 HIS C A 109 CYS N A 109 CYS CA A 109 CYS C 1.0 -159.72 -51.80 PHI 50 50 A 113 VAL C A 114 GLU N A 114 GLU CA A 114 GLU C 1.0 -101.31 -37.51 PHI 51 51 A 118 MET C A 119 PHE N A 119 PHE CA A 119 PHE C 1.0 -174.82 -78.78 PHI 52 52 A 119 PHE C A 120 VAL N A 120 VAL CA A 120 VAL C 1.0 -151.75 -87.71 PHI 53 53 A 120 VAL C A 121 CYS N A 121 CYS CA A 121 CYS C 1.0 -163.47 -98.47 PHI 54 54 A 122 LYS C A 123 THR N A 123 THR CA A 123 THR C 1.0 -86.04 -42.36 PHI 55 55 A 123 THR C A 124 ARG N A 124 ARG CA A 124 ARG C 1.0 -94.06 -51.66 PHI 56 56 A 125 HIS C A 126 LEU N A 126 LEU CA A 126 LEU C 1.0 -149.08 -82.56 PHI 57 57 A 126 LEU C A 127 VAL N A 127 VAL CA A 127 VAL C 1.0 -166.09 -112.65 PHI 58 58 A 127 VAL C A 128 LEU N A 128 LEU CA A 128 LEU C 1.0 -105.79 -63.07 PHI 59 59 A 18 GLU N A 18 GLU CA A 18 GLU C A 19 TRP N 1.0 138.70 177.74 PSI 60 60 A 20 GLY N A 20 GLY CA A 20 GLY C A 21 GLU N 1.0 -29.96 7.00 PSI 61 61 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 GLN N 1.0 109.41 192.61 PSI 62 62 A 24 GLN N A 24 GLN CA A 24 GLN C A 25 LEU N 1.0 101.23 168.75 PSI 63 63 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 GLY N 1.0 118.18 187.38 PSI 64 64 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 ILE N 1.0 124.96 165.84 PSI 65 65 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 ARG N 1.0 151.10 186.90 PSI 66 66 A 40 THR N A 40 THR CA A 40 THR C A 41 PHE N 1.0 131.04 177.32 PSI 67 67 A 41 PHE N A 41 PHE CA A 41 PHE C A 42 GLN N 1.0 112.29 171.89 PSI 68 68 A 42 GLN N A 42 GLN CA A 42 GLN C A 43 VAL N 1.0 103.19 164.95 PSI 69 69 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 LEU N 1.0 108.77 156.41 PSI 70 70 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 ASN N 1.0 101.59 150.47 PSI 71 71 A 45 ASN N A 45 ASN CA A 45 ASN C A 46 MET N 1.0 100.56 205.92 PSI 72 72 A 48 GLY N A 48 GLY CA A 48 GLY C A 49 LYS N 1.0 -23.18 46.46 PSI 73 73 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 VAL N 1.0 95.91 180.95 PSI 74 74 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 VAL N 1.0 98.06 147.82 PSI 75 75 A 51 VAL N A 51 VAL CA A 51 VAL C A 52 THR N 1.0 103.54 180.42 PSI 76 76 A 52 THR N A 52 THR CA A 52 THR C A 53 VAL N 1.0 87.93 167.49 PSI 77 77 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 ARG N 1.0 131.55 185.23 PSI 78 78 A 55 HIS N A 55 HIS CA A 55 HIS C A 56 GLN N 1.0 -55.91 -20.43 PSI 79 79 A 56 GLN N A 56 GLN CA A 56 GLN C A 57 ALA N 1.0 -59.40 13.08 PSI 80 80 A 58 VAL N A 58 VAL CA A 58 VAL C A 59 THR N 1.0 141.20 170.96 PSI 81 81 A 59 THR N A 59 THR CA A 59 THR C A 60 ARG N 1.0 104.62 181.34 PSI 82 82 A 61 LYS N A 61 LYS CA A 61 LYS C A 62 LYS N 1.0 88.62 169.86 PSI 83 83 A 65 ARG N A 65 ARG CA A 65 ARG C A 66 PHE N 1.0 -59.56 13.72 PSI 84 84 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 ALA N 1.0 113.73 163.21 PSI 85 85 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 LEU N 1.0 112.67 183.15 PSI 86 86 A 70 LEU N A 70 LEU CA A 70 LEU C A 71 ASP N 1.0 107.00 159.84 PSI 87 87 A 71 ASP N A 71 ASP CA A 71 ASP C A 72 SER N 1.0 121.82 210.58 PSI 88 88 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 GLN N 1.0 -7.52 26.96 PSI 89 89 A 74 GLN N A 74 GLN CA A 74 GLN C A 75 ASN N 1.0 -4.40 64.32 PSI 90 90 A 78 HIS N A 78 HIS CA A 78 HIS C A 79 VAL N 1.0 127.53 188.49 PSI 91 91 A 79 VAL N A 79 VAL CA A 79 VAL C A 80 LYS N 1.0 -52.06 -25.38 PSI 92 92 A 83 VAL N A 83 VAL CA A 83 VAL C A 84 LYS N 1.0 137.87 189.71 PSI 93 93 A 84 LYS N A 84 LYS CA A 84 LYS C A 85 VAL N 1.0 101.81 169.01 PSI 94 94 A 87 ASP N A 87 ASP CA A 87 ASP C A 88 GLY N 1.0 136.01 172.89 PSI 95 95 A 90 HIS N A 90 HIS CA A 90 HIS C A 91 SER N 1.0 -57.26 -15.22 PSI 96 96 A 92 GLY N A 92 GLY CA A 92 GLY C A 93 ARG N 1.0 -29.68 0.28 PSI 97 97 A 93 ARG N A 93 ARG CA A 93 ARG C A 94 GLU N 1.0 123.02 170.58 PSI 98 98 A 94 GLU N A 94 GLU CA A 94 GLU C A 95 GLY N 1.0 125.09 177.57 PSI 99 99 A 97 ILE N A 97 ILE CA A 97 ILE C A 98 ARG N 1.0 108.83 154.75 PSI 100 100 A 99 HIS N A 99 HIS CA A 99 HIS C A 100 LEU N 1.0 126.50 176.38 PSI 101 101 A 100 LEU N A 100 LEU CA A 100 LEU C A 101 PHE N 1.0 92.75 187.91 PSI 102 102 A 101 PHE N A 101 PHE CA A 101 PHE C A 102 ARG N 1.0 102.02 171.98 PSI 103 103 A 105 ALA N A 105 ALA CA A 105 ALA C A 106 PHE N 1.0 126.78 171.30 PSI 104 104 A 106 PHE N A 106 PHE CA A 106 PHE C A 107 LEU N 1.0 99.77 151.13 PSI 105 105 A 107 LEU N A 107 LEU CA A 107 LEU C A 108 HIS N 1.0 112.39 175.07 PSI 106 106 A 108 HIS N A 108 HIS CA A 108 HIS C A 109 CYS N 1.0 107.08 181.60 PSI 107 107 A 109 CYS N A 109 CYS CA A 109 CYS C A 110 LYS N 1.0 82.80 172.76 PSI 108 108 A 114 GLU N A 114 GLU CA A 114 GLU C A 115 ASN N 1.0 -55.91 -6.47 PSI 109 109 A 119 PHE N A 119 PHE CA A 119 PHE C A 120 VAL N 1.0 112.54 185.26 PSI 110 110 A 120 VAL N A 120 VAL CA A 120 VAL C A 121 CYS N 1.0 102.82 177.94 PSI 111 111 A 121 CYS N A 121 CYS CA A 121 CYS C A 122 LYS N 1.0 121.08 174.92 PSI 112 112 A 123 THR N A 123 THR CA A 123 THR C A 124 ARG N 1.0 -53.33 -28.69 PSI 113 113 A 124 ARG N A 124 ARG CA A 124 ARG C A 125 HIS N 1.0 -47.80 18.40 PSI 114 114 A 126 LEU N A 126 LEU CA A 126 LEU C A 127 VAL N 1.0 119.44 170.92 PSI 115 115 A 127 VAL N A 127 VAL CA A 127 VAL C A 128 LEU N 1.0 96.65 173.81 PSI 116 116 A 128 LEU N A 128 LEU CA A 128 LEU C A 129 ALA N 1.0 110.47 149.35 PSI 117 117 A 23 VAL C A 23 VAL CA A 23 VAL CB A 23 VAL CG2 1.0 150.00 210.00 . 118 118 A 30 VAL C A 30 VAL CA A 30 VAL CB A 30 VAL CG2 1.0 150.00 210.00 . 119 119 A 30 VAL N A 30 VAL CA A 30 VAL CB A 30 VAL HB 1.0 150.00 210.00 . 120 120 A 43 VAL C A 43 VAL CA A 43 VAL CB A 43 VAL CG2 1.0 150.00 210.00 . stop_ save_