data_nef_c15642_2k06 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 SER middle . . 3 A 3 GLU middle . . 4 A 4 ALA middle . . 5 A 5 PRO middle . false 6 A 6 LYS middle . . 7 A 7 LYS middle . . 8 A 8 ARG middle . . 9 A 9 TRP middle . . 10 A 10 TYR middle . . 11 A 11 VAL middle . . 12 A 12 VAL middle . . 13 A 13 GLN middle . . 14 A 14 ALA middle . . 15 A 15 PHE middle . . 16 A 16 SER middle . . 17 A 17 GLY middle . false 18 A 18 PHE middle . . 19 A 19 GLU middle . . 20 A 20 GLY middle . false 21 A 21 ARG middle . . 22 A 22 VAL middle . . 23 A 23 ALA middle . . 24 A 24 THR middle . . 25 A 25 SER middle . . 26 A 26 LEU middle . . 27 A 27 ARG middle . . 28 A 28 GLU middle . . 29 A 29 HIS middle . . 30 A 30 ILE middle . . 31 A 31 LYS middle . . 32 A 32 LEU middle . . 33 A 33 HIS middle . . 34 A 34 ASN middle . . 35 A 35 MET middle . . 36 A 36 GLU middle . . 37 A 37 ASP middle . . 38 A 38 LEU middle . . 39 A 39 PHE middle . . 40 A 40 GLY middle . false 41 A 41 GLU middle . . 42 A 42 VAL middle . . 43 A 43 MET middle . . 44 A 44 VAL middle . . 45 A 45 PRO middle . false 46 A 46 THR middle . . 47 A 47 GLU middle . . 48 A 48 GLU middle . . 49 A 49 VAL middle . . 50 A 50 VAL middle . . 51 A 51 GLU middle . . 52 A 52 ILE middle . . 53 A 53 ARG middle . . 54 A 54 GLY middle . false 55 A 55 GLY middle . false 56 A 56 GLN middle . . 57 A 57 ARG middle . . 58 A 58 ARG middle . . 59 A 59 LYS middle . . 60 A 60 SER middle . . 61 A 61 GLU middle . . 62 A 62 ARG middle . . 63 A 63 LYS middle . . 64 A 64 PHE middle . . 65 A 65 PHE middle . . 66 A 66 PRO middle . false 67 A 67 GLY middle . false 68 A 68 TYR middle . . 69 A 69 VAL middle . . 70 A 70 LEU middle . . 71 A 71 VAL middle . . 72 A 72 GLN middle . . 73 A 73 MET middle . . 74 A 74 VAL middle . . 75 A 75 MET middle . . 76 A 76 ASN middle . . 77 A 77 ASP middle . . 78 A 78 ALA middle . . 79 A 79 SER middle . . 80 A 80 TRP middle . . 81 A 81 HIS middle . . 82 A 82 LEU middle . . 83 A 83 VAL middle . . 84 A 84 ARG middle . . 85 A 85 SER middle . . 86 A 86 VAL middle . . 87 A 87 PRO middle . false 88 A 88 ARG middle . . 89 A 89 VAL middle . . 90 A 90 MET middle . . 91 A 91 GLY middle . false 92 A 92 PHE middle . . 93 A 93 ILE middle . . 94 A 94 GLY middle . false 95 A 95 GLY middle . false 96 A 96 THR middle . . 97 A 97 SER middle . . 98 A 98 ASP middle . . 99 A 99 ARG middle . . 100 A 100 PRO middle . false 101 A 101 ALA middle . . 102 A 102 PRO middle . false 103 A 103 ILE middle . . 104 A 104 SER middle . . 105 A 105 ASP middle . . 106 A 106 LYS middle . . 107 A 107 GLU middle . . 108 A 108 VAL middle . . 109 A 109 ASP middle . . 110 A 110 ALA middle . . 111 A 111 ILE middle . . 112 A 112 MET middle . . 113 A 113 ASN middle . . 114 A 114 ARG middle . . 115 A 115 LEU middle . . 116 A 116 GLN middle . . 117 A 117 GLN middle . . 118 A 118 VAL middle . . 119 A 119 GLY middle . false 120 A 120 ASP middle . . 121 A 121 LYS middle . . 122 A 122 PRO middle . false 123 A 123 ARG end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET C C 13 175.21 . A 2 SER H H 1 7.89 . A 2 SER HA H 1 4.27 . A 2 SER C C 13 173.96 . A 2 SER CA C 13 60.80 . A 2 SER N N 15 111.94 . A 3 GLU H H 1 8.01 . A 3 GLU HA H 1 4.36 . A 3 GLU C C 13 175.71 . A 3 GLU CA C 13 56.31 . A 3 GLU N N 15 121.28 . A 4 ALA H H 1 8.54 . A 4 ALA HA H 1 4.56 . A 4 ALA CA C 13 50.63 . A 4 ALA N N 15 127.84 . A 5 PRO HA H 1 4.42 . A 5 PRO C C 13 174.24 . A 5 PRO CA C 13 62.84 . A 6 LYS H H 1 8.32 . A 6 LYS HA H 1 4.29 . A 6 LYS C C 13 176.10 . A 6 LYS CA C 13 55.54 . A 6 LYS N N 15 121.91 . A 7 LYS H H 1 8.45 . A 7 LYS HA H 1 3.94 . A 7 LYS C C 13 175.70 . A 7 LYS CA C 13 56.44 . A 7 LYS N N 15 122.25 . A 8 ARG H H 1 8.21 . A 8 ARG HA H 1 4.67 . A 8 ARG C C 13 173.76 . A 8 ARG CA C 13 53.42 . A 8 ARG N N 15 122.56 . A 9 TRP H H 1 8.61 . A 9 TRP HA H 1 4.91 . A 9 TRP HBx H 1 2.67 . A 9 TRP HBy H 1 3.05 . A 9 TRP HD1 H 1 7.32 . A 9 TRP HE1 H 1 10.17 . A 9 TRP HE3 H 1 7.30 . A 9 TRP HH2 H 1 6.94 . A 9 TRP HZ2 H 1 7.35 . A 9 TRP HZ3 H 1 6.81 . A 9 TRP C C 13 174.61 . A 9 TRP CA C 13 57.63 . A 9 TRP CB C 13 31.02 . A 9 TRP CD1 C 13 127.60 . A 9 TRP CE3 C 13 120.10 . A 9 TRP CH2 C 13 124.90 . A 9 TRP CZ2 C 13 114.40 . A 9 TRP CZ3 C 13 122.20 . A 9 TRP N N 15 120.54 . A 9 TRP NE1 N 15 128.60 . A 10 TYR H H 1 9.26 . A 10 TYR HA H 1 4.82 . A 10 TYR HBx H 1 2.86 . A 10 TYR HBy H 1 3.29 . A 10 TYR HD1 H 1 7.06 . A 10 TYR HD2 H 1 7.06 . A 10 TYR HE1 H 1 6.58 . A 10 TYR HE2 H 1 6.58 . A 10 TYR C C 13 174.34 . A 10 TYR CA C 13 57.05 . A 10 TYR CB C 13 41.92 . A 10 TYR CD1 C 13 134.20 . A 10 TYR CD2 C 13 134.20 . A 10 TYR CE1 C 13 117.50 . A 10 TYR CE2 C 13 117.50 . A 10 TYR N N 15 118.99 . A 11 VAL H H 1 9.45 . A 11 VAL HA H 1 4.47 . A 11 VAL HB H 1 2.16 . A 11 VAL HGx% H 1 0.29 . A 11 VAL HGy% H 1 0.81 . A 11 VAL C C 13 175.03 . A 11 VAL CA C 13 62.32 . A 11 VAL CB C 13 32.40 . A 11 VAL CGy C 13 22.50 . A 11 VAL CGx C 13 21.17 . A 11 VAL N N 15 120.93 . A 12 VAL H H 1 9.32 . A 12 VAL HA H 1 3.94 . A 12 VAL HB H 1 1.91 . A 12 VAL HGx% H 1 0.45 . A 12 VAL HGy% H 1 0.52 . A 12 VAL C C 13 173.87 . A 12 VAL CA C 13 61.33 . A 12 VAL CB C 13 33.50 . A 12 VAL CGx C 13 21.90 . A 12 VAL CGy C 13 23.40 . A 12 VAL N N 15 128.86 . A 13 GLN H H 1 8.83 . A 13 GLN HA H 1 4.71 . A 13 GLN HBx H 1 1.90 . A 13 GLN HBy H 1 1.90 . A 13 GLN HE21 H 1 7.57 . A 13 GLN HE22 H 1 6.79 . A 13 GLN HGx H 1 2.33 . A 13 GLN HGy H 1 2.33 . A 13 GLN C C 13 174.23 . A 13 GLN CA C 13 54.80 . A 13 GLN CB C 13 29.45 . A 13 GLN N N 15 126.05 . A 13 GLN NE2 N 15 110.60 . A 14 ALA H H 1 9.42 . A 14 ALA HA H 1 5.15 . A 14 ALA HB% H 1 1.24 . A 14 ALA C C 13 176.40 . A 14 ALA CA C 13 49.66 . A 14 ALA CB C 13 22.84 . A 14 ALA N N 15 131.62 . A 15 PHE H H 1 8.07 . A 15 PHE HA H 1 4.41 . A 15 PHE HBx H 1 2.79 . A 15 PHE HBy H 1 3.19 . A 15 PHE HD1 H 1 7.11 . A 15 PHE HD2 H 1 7.11 . A 15 PHE C C 13 176.13 . A 15 PHE CA C 13 58.55 . A 15 PHE CB C 13 39.78 . A 15 PHE CD1 C 13 131.50 . A 15 PHE CDx C 13 131.50 . A 15 PHE CDy C 13 131.50 . A 15 PHE N N 15 119.68 . A 16 SER H H 1 8.37 . A 16 SER HA H 1 4.14 . A 16 SER HBx H 1 3.85 . A 16 SER HBy H 1 3.85 . A 16 SER C C 13 175.82 . A 16 SER CA C 13 60.57 . A 16 SER CB C 13 63.03 . A 16 SER N N 15 119.70 . A 17 GLY H H 1 9.13 . A 17 GLY HAx H 1 3.64 . A 17 GLY HAy H 1 4.20 . A 17 GLY C C 13 175.52 . A 17 GLY CA C 13 45.26 . A 17 GLY N N 15 115.85 . A 18 PHE H H 1 8.48 . A 18 PHE HA H 1 4.74 . A 18 PHE HBx H 1 3.03 . A 18 PHE HBy H 1 3.46 . A 18 PHE HD1 H 1 7.11 . A 18 PHE HD2 H 1 7.11 . A 18 PHE C C 13 175.43 . A 18 PHE CA C 13 58.24 . A 18 PHE CB C 13 39.01 . A 18 PHE CD1 C 13 131.86 . A 18 PHE CD2 C 13 131.86 . A 18 PHE N N 15 118.55 . A 19 GLU H H 1 10.69 . A 19 GLU HA H 1 3.49 . A 19 GLU HBx H 1 2.06 . A 19 GLU HBy H 1 2.06 . A 19 GLU HGx H 1 2.80 . A 19 GLU HGy H 1 2.80 . A 19 GLU C C 13 177.65 . A 19 GLU CA C 13 62.28 . A 19 GLU CB C 13 28.38 . A 19 GLU CG C 13 36.58 . A 19 GLU N N 15 123.47 . A 20 GLY H H 1 8.74 . A 20 GLY HAx H 1 3.84 . A 20 GLY HAy H 1 3.94 . A 20 GLY C C 13 176.86 . A 20 GLY CA C 13 47.14 . A 20 GLY N N 15 105.48 . A 21 ARG H H 1 7.69 . A 21 ARG HA H 1 4.18 . A 21 ARG HBx H 1 2.05 . A 21 ARG HBy H 1 2.12 . A 21 ARG HDx H 1 3.23 . A 21 ARG HDy H 1 3.30 . A 21 ARG HGx H 1 1.82 . A 21 ARG HGy H 1 1.93 . A 21 ARG C C 13 179.49 . A 21 ARG CA C 13 58.66 . A 21 ARG CB C 13 30.10 . A 21 ARG CD C 13 43.29 . A 21 ARG CG C 13 27.39 . A 21 ARG N N 15 123.12 . A 22 VAL H H 1 8.98 . A 22 VAL HA H 1 3.56 . A 22 VAL HB H 1 2.15 . A 22 VAL HGx% H 1 0.65 . A 22 VAL HGy% H 1 1.13 . A 22 VAL C C 13 177.32 . A 22 VAL CA C 13 66.96 . A 22 VAL CB C 13 31.05 . A 22 VAL CGx C 13 21.68 . A 22 VAL CGy C 13 25.03 . A 22 VAL N N 15 122.76 . A 23 ALA H H 1 8.28 . A 23 ALA HA H 1 3.85 . A 23 ALA HB% H 1 1.46 . A 23 ALA C C 13 179.34 . A 23 ALA CA C 13 56.26 . A 23 ALA CB C 13 18.26 . A 23 ALA N N 15 122.12 . A 24 THR H H 1 8.02 . A 24 THR HA H 1 3.92 . A 24 THR HB H 1 4.26 . A 24 THR HG2% H 1 1.29 . A 24 THR C C 13 176.94 . A 24 THR CA C 13 66.82 . A 24 THR CB C 13 68.93 . A 24 THR CG2 C 13 22.06 . A 24 THR N N 15 113.41 . A 25 SER H H 1 8.57 . A 25 SER HA H 1 4.40 . A 25 SER HBx H 1 3.82 . A 25 SER HBy H 1 3.98 . A 25 SER C C 13 177.61 . A 25 SER CA C 13 61.92 . A 25 SER CB C 13 63.54 . A 25 SER N N 15 118.26 . A 26 LEU H H 1 9.43 . A 26 LEU HA H 1 3.90 . A 26 LEU HBy H 1 1.81 . A 26 LEU HBx H 1 1.61 . A 26 LEU HDx% H 1 0.80 . A 26 LEU HDy% H 1 0.67 . A 26 LEU HG H 1 1.46 . A 26 LEU C C 13 177.71 . A 26 LEU CA C 13 58.91 . A 26 LEU CB C 13 41.30 . A 26 LEU CDy C 13 26.50 . A 26 LEU CDx C 13 25.00 . A 26 LEU CG C 13 27.50 . A 26 LEU N N 15 124.12 . A 27 ARG H H 1 7.79 . A 27 ARG HA H 1 3.88 . A 27 ARG HBx H 1 1.99 . A 27 ARG HBy H 1 2.10 . A 27 ARG HDx H 1 3.21 . A 27 ARG HDy H 1 3.28 . A 27 ARG HGx H 1 1.67 . A 27 ARG HGy H 1 1.97 . A 27 ARG C C 13 179.38 . A 27 ARG CA C 13 60.51 . A 27 ARG CB C 13 29.67 . A 27 ARG CD C 13 43.63 . A 27 ARG CG C 13 28.49 . A 27 ARG N N 15 116.71 . A 28 GLU H H 1 7.90 . A 28 GLU HA H 1 4.07 . A 28 GLU HBx H 1 2.14 . A 28 GLU HBy H 1 2.37 . A 28 GLU HGx H 1 2.23 . A 28 GLU HGy H 1 2.50 . A 28 GLU C C 13 179.45 . A 28 GLU CA C 13 59.45 . A 28 GLU CB C 13 29.61 . A 28 GLU CG C 13 36.23 . A 28 GLU N N 15 118.34 . A 29 HIS H H 1 8.94 . A 29 HIS HA H 1 4.16 . A 29 HIS HBx H 1 2.93 . A 29 HIS HBy H 1 3.19 . A 29 HIS HD2 H 1 7.05 . A 29 HIS HE1 H 1 7.79 . A 29 HIS C C 13 177.75 . A 29 HIS CA C 13 61.26 . A 29 HIS CB C 13 29.87 . A 29 HIS CD2 C 13 122.60 . A 29 HIS N N 15 120.44 . A 30 ILE H H 1 8.58 . A 30 ILE HA H 1 3.16 . A 30 ILE HB H 1 1.61 . A 30 ILE HD1% H 1 0.19 . A 30 ILE HG1x H 1 -0.49 . A 30 ILE HG1y H 1 1.20 . A 30 ILE HG2% H 1 0.65 . A 30 ILE C C 13 177.23 . A 30 ILE CA C 13 66.46 . A 30 ILE CB C 13 38.63 . A 30 ILE CD1 C 13 14.81 . A 30 ILE CG1 C 13 28.97 . A 30 ILE CG2 C 13 17.40 . A 30 ILE N N 15 121.01 . A 31 LYS H H 1 7.02 . A 31 LYS HA H 1 4.17 . A 31 LYS HBx H 1 1.92 . A 31 LYS HBy H 1 1.92 . A 31 LYS HDx H 1 1.69 . A 31 LYS HDy H 1 1.69 . A 31 LYS HEx H 1 3.00 . A 31 LYS HEy H 1 3.00 . A 31 LYS HGx H 1 1.57 . A 31 LYS HGy H 1 1.57 . A 31 LYS C C 13 180.57 . A 31 LYS CA C 13 58.92 . A 31 LYS CB C 13 32.49 . A 31 LYS CD C 13 29.20 . A 31 LYS CE C 13 42.20 . A 31 LYS CG C 13 24.80 . A 31 LYS N N 15 117.40 . A 32 LEU H H 1 8.40 . A 32 LEU HA H 1 3.99 . A 32 LEU HBx H 1 1.41 . A 32 LEU HBy H 1 1.59 . A 32 LEU HDx% H 1 0.70 . A 32 LEU HDy% H 1 0.70 . A 32 LEU HG H 1 1.25 . A 32 LEU C C 13 178.23 . A 32 LEU CA C 13 57.70 . A 32 LEU CB C 13 42.54 . A 32 LEU CDx C 13 23.79 . A 32 LEU CDy C 13 25.30 . A 32 LEU CG C 13 26.65 . A 32 LEU N N 15 121.18 . A 33 HIS H H 1 7.62 . A 33 HIS HA H 1 4.60 . A 33 HIS HBx H 1 2.82 . A 33 HIS HBy H 1 3.54 . A 33 HIS HD2 H 1 7.15 . A 33 HIS HE1 H 1 8.08 . A 33 HIS C C 13 177.09 . A 33 HIS CA C 13 55.84 . A 33 HIS CB C 13 29.33 . A 33 HIS CD2 C 13 120.80 . A 33 HIS N N 15 112.22 . A 34 ASN H H 1 8.03 . A 34 ASN HA H 1 4.89 . A 34 ASN HBx H 1 2.85 . A 34 ASN HBy H 1 3.18 . A 34 ASN HD21 H 1 7.85 . A 34 ASN HD22 H 1 6.82 . A 34 ASN C C 13 175.91 . A 34 ASN CA C 13 54.53 . A 34 ASN CB C 13 37.38 . A 34 ASN N N 15 117.60 . A 34 ASN ND2 N 15 112.72 . A 35 MET H H 1 8.33 . A 35 MET HA H 1 4.94 . A 35 MET HBx H 1 1.70 . A 35 MET HBy H 1 1.80 . A 35 MET HE% H 1 2.17 . A 35 MET HGx H 1 2.73 . A 35 MET HGy H 1 2.77 . A 35 MET C C 13 176.88 . A 35 MET CA C 13 55.60 . A 35 MET CB C 13 33.79 . A 35 MET CE C 13 18.26 . A 35 MET CG C 13 33.82 . A 35 MET N N 15 116.19 . A 36 GLU H H 1 9.73 . A 36 GLU HA H 1 3.85 . A 36 GLU HBx H 1 2.04 . A 36 GLU HBy H 1 2.10 . A 36 GLU HGx H 1 2.26 . A 36 GLU HGy H 1 2.47 . A 36 GLU C C 13 178.29 . A 36 GLU CA C 13 61.28 . A 36 GLU CB C 13 29.27 . A 36 GLU CG C 13 37.66 . A 36 GLU N N 15 121.63 . A 37 ASP H H 1 8.85 . A 37 ASP HA H 1 4.47 . A 37 ASP HBx H 1 2.61 . A 37 ASP HBy H 1 2.67 . A 37 ASP C C 13 177.19 . A 37 ASP CA C 13 56.14 . A 37 ASP CB C 13 40.05 . A 37 ASP N N 15 114.39 . A 38 LEU H H 1 7.88 . A 38 LEU HA H 1 4.29 . A 38 LEU HBx H 1 1.53 . A 38 LEU HBy H 1 1.92 . A 38 LEU HDx% H 1 0.76 . A 38 LEU HDy% H 1 1.09 . A 38 LEU HG H 1 1.75 . A 38 LEU C C 13 175.09 . A 38 LEU CA C 13 54.67 . A 38 LEU CB C 13 42.94 . A 38 LEU CDx C 13 22.37 . A 38 LEU CDy C 13 26.40 . A 38 LEU CG C 13 26.73 . A 38 LEU N N 15 116.55 . A 39 PHE H H 1 7.50 . A 39 PHE HA H 1 4.97 . A 39 PHE HBx H 1 2.77 . A 39 PHE HBy H 1 3.09 . A 39 PHE HD1 H 1 7.42 . A 39 PHE HD2 H 1 7.42 . A 39 PHE HE1 H 1 7.20 . A 39 PHE HE2 H 1 7.20 . A 39 PHE HZ H 1 7.33 . A 39 PHE C C 13 175.38 . A 39 PHE CA C 13 57.58 . A 39 PHE CB C 13 44.99 . A 39 PHE CD1 C 13 133.20 . A 39 PHE CD2 C 13 133.20 . A 39 PHE CE1 C 13 130.70 . A 39 PHE CE2 C 13 139.70 . A 39 PHE CZ C 13 129.50 . A 39 PHE N N 15 115.37 . A 40 GLY H H 1 8.68 . A 40 GLY HAx H 1 3.37 . A 40 GLY HAy H 1 4.55 . A 40 GLY C C 13 173.09 . A 40 GLY CA C 13 44.18 . A 40 GLY N N 15 110.93 . A 41 GLU H H 1 8.32 . A 41 GLU HA H 1 4.28 . A 41 GLU HBx H 1 2.01 . A 41 GLU HBy H 1 2.17 . A 41 GLU HGx H 1 2.36 . A 41 GLU HGy H 1 2.48 . A 41 GLU C C 13 173.90 . A 41 GLU CA C 13 56.90 . A 41 GLU CB C 13 32.11 . A 41 GLU CG C 13 36.67 . A 41 GLU N N 15 126.73 . A 42 VAL H H 1 8.10 . A 42 VAL HA H 1 5.16 . A 42 VAL HB H 1 1.98 . A 42 VAL HGx% H 1 1.02 . A 42 VAL HGy% H 1 0.97 . A 42 VAL C C 13 176.34 . A 42 VAL CA C 13 61.20 . A 42 VAL CB C 13 34.77 . A 42 VAL CGx C 13 21.05 . A 42 VAL CGy C 13 21.67 . A 42 VAL N N 15 119.36 . A 43 MET H H 1 9.87 . A 43 MET HA H 1 5.07 . A 43 MET HBx H 1 2.02 . A 43 MET HBy H 1 2.10 . A 43 MET HE% H 1 1.79 . A 43 MET HGx H 1 2.52 . A 43 MET HGy H 1 2.57 . A 43 MET C C 13 173.89 . A 43 MET CA C 13 54.74 . A 43 MET CB C 13 37.50 . A 43 MET CE C 13 17.70 . A 43 MET CG C 13 31.78 . A 43 MET N N 15 125.72 . A 44 VAL H H 1 8.80 . A 44 VAL HA H 1 4.72 . A 44 VAL HB H 1 2.12 . A 44 VAL HGx% H 1 1.00 . A 44 VAL HGy% H 1 0.94 . A 44 VAL CA C 13 59.09 . A 44 VAL CB C 13 33.71 . A 44 VAL CGy C 13 22.00 . A 44 VAL CGx C 13 21.20 . A 44 VAL N N 15 122.34 . A 45 PRO HA H 1 4.48 . A 45 PRO HBx H 1 1.87 . A 45 PRO HBy H 1 2.29 . A 45 PRO HDx H 1 3.63 . A 45 PRO HDy H 1 3.81 . A 45 PRO HGx H 1 2.02 . A 45 PRO HGy H 1 2.02 . A 45 PRO C C 13 177.08 . A 45 PRO CA C 13 63.24 . A 45 PRO CB C 13 32.17 . A 45 PRO CD C 13 50.69 . A 45 PRO CG C 13 27.58 . A 46 THR H H 1 8.20 . A 46 THR HA H 1 4.29 . A 46 THR HB H 1 4.30 . A 46 THR HG2% H 1 1.24 . A 46 THR C C 13 174.60 . A 46 THR CA C 13 62.10 . A 46 THR CB C 13 69.99 . A 46 THR CG2 C 13 21.79 . A 46 THR N N 15 113.41 . A 47 GLU H H 1 8.38 . A 47 GLU HA H 1 4.40 . A 47 GLU HBx H 1 1.90 . A 47 GLU HBy H 1 1.90 . A 47 GLU C C 13 175.97 . A 47 GLU CA C 13 55.20 . A 47 GLU CB C 13 32.30 . A 47 GLU N N 15 122.83 . A 48 GLU H H 1 8.40 . A 48 GLU HA H 1 4.28 . A 48 GLU HBx H 1 2.00 . A 48 GLU HBy H 1 2.17 . A 48 GLU HGx H 1 2.36 . A 48 GLU HGy H 1 2.48 . A 48 GLU C C 13 175.75 . A 48 GLU CA C 13 55.19 . A 48 GLU CB C 13 31.98 . A 48 GLU CG C 13 36.67 . A 48 GLU N N 15 121.95 . A 49 VAL H H 1 8.24 . A 49 VAL HA H 1 4.17 . A 49 VAL HB H 1 2.04 . A 49 VAL HGx% H 1 0.90 . A 49 VAL C C 13 174.61 . A 49 VAL CA C 13 62.28 . A 49 VAL CB C 13 32.93 . A 49 VAL CGx C 13 21.00 . A 49 VAL N N 15 123.99 . A 50 VAL H H 1 8.23 . A 50 VAL HA H 1 4.22 . A 50 VAL HB H 1 2.01 . A 50 VAL HGx% H 1 0.90 . A 50 VAL C C 13 175.77 . A 50 VAL CA C 13 62.17 . A 50 VAL CB C 13 33.11 . A 50 VAL CGx C 13 21.00 . A 50 VAL N N 15 123.96 . A 51 GLU H H 1 8.57 . A 51 GLU HA H 1 4.38 . A 51 GLU HBx H 1 1.90 . A 51 GLU HBy H 1 1.98 . A 51 GLU HGx H 1 2.17 . A 51 GLU HGy H 1 2.24 . A 51 GLU C C 13 175.92 . A 51 GLU CA C 13 56.05 . A 51 GLU CB C 13 31.08 . A 51 GLU CG C 13 36.40 . A 51 GLU N N 15 125.07 . A 52 ILE H H 1 8.32 . A 52 ILE HA H 1 4.29 . A 52 ILE HB H 1 1.84 . A 52 ILE HD1% H 1 0.80 . A 52 ILE HG1x H 1 1.12 . A 52 ILE HG1y H 1 1.45 . A 52 ILE HG2% H 1 0.82 . A 52 ILE C C 13 176.33 . A 52 ILE CA C 13 60.94 . A 52 ILE CB C 13 38.51 . A 52 ILE CD1 C 13 12.83 . A 52 ILE CG1 C 13 27.45 . A 52 ILE CG2 C 13 17.48 . A 52 ILE N N 15 122.76 . A 53 ARG H H 1 8.50 . A 53 ARG HA H 1 4.43 . A 53 ARG HBx H 1 1.75 . A 53 ARG HBy H 1 1.75 . A 53 ARG HDx H 1 3.20 . A 53 ARG HDy H 1 3.20 . A 53 ARG HGx H 1 1.62 . A 53 ARG HGy H 1 1.62 . A 53 ARG C C 13 176.95 . A 53 ARG CA C 13 56.15 . A 53 ARG CB C 13 30.20 . A 53 ARG CD C 13 43.30 . A 53 ARG CG C 13 27.20 . A 53 ARG N N 15 125.25 . A 54 GLY H H 1 8.76 . A 54 GLY HAx H 1 3.92 . A 54 GLY HAy H 1 4.01 . A 54 GLY C C 13 175.11 . A 54 GLY CA C 13 46.03 . A 54 GLY N N 15 112.51 . A 55 GLY H H 1 8.35 . A 55 GLY HAx H 1 3.98 . A 55 GLY HAy H 1 3.98 . A 55 GLY C C 13 173.92 . A 55 GLY CA C 13 45.20 . A 55 GLY N N 15 107.94 . A 56 GLN H H 1 8.10 . A 56 GLN HA H 1 4.42 . A 56 GLN HBx H 1 1.98 . A 56 GLN HBy H 1 2.01 . A 56 GLN HGx H 1 2.36 . A 56 GLN HGy H 1 2.39 . A 56 GLN C C 13 175.57 . A 56 GLN CA C 13 55.42 . A 56 GLN CB C 13 30.10 . A 56 GLN CG C 13 33.90 . A 56 GLN N N 15 119.35 . A 57 ARG H H 1 8.52 . A 57 ARG HA H 1 4.40 . A 57 ARG HBx H 1 1.77 . A 57 ARG HBy H 1 1.77 . A 57 ARG HDx H 1 3.20 . A 57 ARG HDy H 1 3.20 . A 57 ARG HGx H 1 1.60 . A 57 ARG HGy H 1 1.60 . A 57 ARG C C 13 176.21 . A 57 ARG CA C 13 56.44 . A 57 ARG CB C 13 30.93 . A 57 ARG CD C 13 43.40 . A 57 ARG CG C 13 27.10 . A 57 ARG N N 15 122.61 . A 58 ARG H H 1 8.63 . A 58 ARG HA H 1 4.43 . A 58 ARG HBx H 1 1.75 . A 58 ARG HBy H 1 1.86 . A 58 ARG HDx H 1 3.18 . A 58 ARG HDy H 1 3.18 . A 58 ARG HGx H 1 1.63 . A 58 ARG HGy H 1 1.67 . A 58 ARG C C 13 175.95 . A 58 ARG CA C 13 55.45 . A 58 ARG CB C 13 31.30 . A 58 ARG CD C 13 43.42 . A 58 ARG CG C 13 27.20 . A 58 ARG N N 15 123.32 . A 59 LYS H H 1 8.56 . A 59 LYS HA H 1 4.41 . A 59 LYS HBx H 1 1.77 . A 59 LYS HBy H 1 1.84 . A 59 LYS HDx H 1 1.68 . A 59 LYS HDy H 1 1.73 . A 59 LYS HEx H 1 3.00 . A 59 LYS HEy H 1 3.00 . A 59 LYS HGx H 1 1.41 . A 59 LYS HGy H 1 1.47 . A 59 LYS C C 13 176.59 . A 59 LYS CA C 13 56.72 . A 59 LYS CB C 13 33.15 . A 59 LYS CD C 13 29.00 . A 59 LYS CE C 13 42.10 . A 59 LYS CG C 13 24.73 . A 59 LYS N N 15 123.38 . A 60 SER H H 1 8.45 . A 60 SER HA H 1 4.48 . A 60 SER HBx H 1 3.81 . A 60 SER HBy H 1 3.86 . A 60 SER C C 13 174.28 . A 60 SER CA C 13 58.14 . A 60 SER CB C 13 64.16 . A 60 SER N N 15 117.32 . A 61 GLU H H 1 8.55 . A 61 GLU HA H 1 4.40 . A 61 GLU HBx H 1 1.92 . A 61 GLU HBy H 1 2.05 . A 61 GLU HGx H 1 2.18 . A 61 GLU HGy H 1 2.25 . A 61 GLU C C 13 176.15 . A 61 GLU CA C 13 56.30 . A 61 GLU CB C 13 30.79 . A 61 GLU CG C 13 36.35 . A 61 GLU N N 15 122.81 . A 62 ARG H H 1 8.31 . A 62 ARG HA H 1 4.34 . A 62 ARG HBx H 1 1.92 . A 62 ARG HBy H 1 1.99 . A 62 ARG C C 13 176.14 . A 62 ARG CA C 13 56.23 . A 62 ARG CB C 13 30.78 . A 62 ARG N N 15 122.08 . A 63 LYS H H 1 8.47 . A 63 LYS HA H 1 4.30 . A 63 LYS HBx H 1 1.78 . A 63 LYS HBy H 1 1.78 . A 63 LYS C C 13 175.49 . A 63 LYS CA C 13 56.20 . A 63 LYS CB C 13 30.73 . A 63 LYS N N 15 123.45 . A 64 PHE H H 1 8.20 . A 64 PHE HA H 1 4.45 . A 64 PHE HBx H 1 2.75 . A 64 PHE HBy H 1 2.75 . A 64 PHE HD1 H 1 7.08 . A 64 PHE HD2 H 1 7.08 . A 64 PHE C C 13 174.25 . A 64 PHE CA C 13 57.43 . A 64 PHE CB C 13 40.33 . A 64 PHE CD1 C 13 131.50 . A 64 PHE CD2 C 13 131.50 . A 64 PHE N N 15 121.74 . A 65 PHE H H 1 8.13 . A 65 PHE HA H 1 4.44 . A 65 PHE HBx H 1 2.53 . A 65 PHE HBy H 1 2.53 . A 65 PHE HD1 H 1 6.92 . A 65 PHE HD2 H 1 6.92 . A 65 PHE HE1 H 1 7.24 . A 65 PHE HE2 H 1 7.24 . A 65 PHE HZ H 1 7.19 . A 65 PHE CA C 13 55.65 . A 65 PHE CB C 13 38.90 . A 65 PHE CD1 C 13 132.20 . A 65 PHE CD2 C 13 132.20 . A 65 PHE CE1 C 13 131.20 . A 65 PHE CE2 C 13 131.20 . A 65 PHE N N 15 120.91 . A 66 PRO C C 13 176.78 . A 67 GLY H H 1 9.97 . A 67 GLY HAx H 1 3.82 . A 67 GLY HAy H 1 4.40 . A 67 GLY C C 13 173.67 . A 67 GLY CA C 13 45.90 . A 67 GLY N N 15 111.55 . A 68 TYR H H 1 7.65 . A 68 TYR HA H 1 5.00 . A 68 TYR HBx H 1 2.68 . A 68 TYR HBy H 1 3.27 . A 68 TYR HD1 H 1 6.81 . A 68 TYR HD2 H 1 6.81 . A 68 TYR HE1 H 1 6.73 . A 68 TYR HE2 H 1 6.73 . A 68 TYR C C 13 175.22 . A 68 TYR CA C 13 57.94 . A 68 TYR CD1 C 13 131.95 . A 68 TYR CD2 C 13 131.95 . A 68 TYR CE1 C 13 118.30 . A 68 TYR CE2 C 13 118.30 . A 68 TYR N N 15 118.80 . A 69 VAL H H 1 9.09 . A 69 VAL HA H 1 4.33 . A 69 VAL HB H 1 1.92 . A 69 VAL HGx% H 1 0.89 . A 69 VAL HGy% H 1 0.79 . A 69 VAL C C 13 174.25 . A 69 VAL CA C 13 62.12 . A 69 VAL CB C 13 35.24 . A 69 VAL CGy C 13 21.65 . A 69 VAL CGx C 13 21.63 . A 69 VAL N N 15 119.30 . A 70 LEU H H 1 9.19 . A 70 LEU HA H 1 5.46 . A 70 LEU HBx H 1 1.76 . A 70 LEU HBy H 1 1.99 . A 70 LEU HDx% H 1 0.82 . A 70 LEU HDy% H 1 0.74 . A 70 LEU HG H 1 1.69 . A 70 LEU C C 13 176.13 . A 70 LEU CA C 13 54.12 . A 70 LEU CB C 13 43.33 . A 70 LEU CDx C 13 25.35 . A 70 LEU CDy C 13 26.11 . A 70 LEU CG C 13 28.48 . A 70 LEU N N 15 126.71 . A 71 VAL H H 1 9.35 . A 71 VAL HA H 1 5.04 . A 71 VAL HB H 1 2.10 . A 71 VAL HGx% H 1 1.18 . A 71 VAL HGy% H 1 1.02 . A 71 VAL C C 13 173.67 . A 71 VAL CA C 13 61.09 . A 71 VAL CB C 13 35.80 . A 71 VAL CGx C 13 22.13 . A 71 VAL CGy C 13 22.80 . A 71 VAL N N 15 121.92 . A 72 GLN H H 1 8.39 . A 72 GLN HA H 1 4.61 . A 72 GLN HBx H 1 0.08 . A 72 GLN HBy H 1 1.53 . A 72 GLN HE21 H 1 6.82 . A 72 GLN HE22 H 1 6.89 . A 72 GLN HGy H 1 0.79 . A 72 GLN HGx H 1 0.52 . A 72 GLN C C 13 175.92 . A 72 GLN CA C 13 53.81 . A 72 GLN CB C 13 28.85 . A 72 GLN CG C 13 33.28 . A 72 GLN N N 15 130.76 . A 72 GLN NE2 N 15 112.15 . A 73 MET H H 1 9.75 . A 73 MET HA H 1 5.06 . A 73 MET HBx H 1 1.35 . A 73 MET HBy H 1 1.88 . A 73 MET HE% H 1 1.80 . A 73 MET HGx H 1 2.55 . A 73 MET HGy H 1 2.55 . A 73 MET C C 13 175.50 . A 73 MET CA C 13 55.52 . A 73 MET CB C 13 35.35 . A 73 MET CE C 13 17.80 . A 73 MET CG C 13 31.12 . A 73 MET N N 15 121.07 . A 74 VAL H H 1 8.53 . A 74 VAL HA H 1 3.97 . A 74 VAL HB H 1 1.96 . A 74 VAL HGx% H 1 0.79 . A 74 VAL HGy% H 1 0.78 . A 74 VAL C C 13 174.90 . A 74 VAL CA C 13 62.15 . A 74 VAL CB C 13 32.48 . A 74 VAL CGy C 13 21.63 . A 74 VAL CGx C 13 21.60 . A 74 VAL N N 15 124.12 . A 75 MET H H 1 8.60 . A 75 MET HA H 1 4.36 . A 75 MET HBx H 1 1.92 . A 75 MET HBy H 1 1.92 . A 75 MET HE% H 1 0.68 . A 75 MET HGx H 1 2.34 . A 75 MET HGy H 1 2.34 . A 75 MET C C 13 173.48 . A 75 MET CA C 13 53.83 . A 75 MET CB C 13 29.96 . A 75 MET CE C 13 15.30 . A 75 MET CG C 13 31.96 . A 75 MET N N 15 128.25 . A 76 ASN H H 1 8.41 . A 76 ASN HA H 1 4.54 . A 76 ASN HBx H 1 2.99 . A 76 ASN HBy H 1 3.18 . A 76 ASN HD21 H 1 7.49 . A 76 ASN HD22 H 1 5.88 . A 76 ASN C C 13 173.95 . A 76 ASN CA C 13 51.72 . A 76 ASN CB C 13 38.43 . A 76 ASN N N 15 127.50 . A 76 ASN ND2 N 15 108.57 . A 77 ASP H H 1 8.47 . A 77 ASP HA H 1 4.41 . A 77 ASP HBx H 1 2.67 . A 77 ASP HBy H 1 2.71 . A 77 ASP C C 13 178.53 . A 77 ASP CA C 13 58.73 . A 77 ASP CB C 13 40.94 . A 77 ASP N N 15 117.09 . A 78 ALA H H 1 8.16 . A 78 ALA HA H 1 4.35 . A 78 ALA HB% H 1 1.52 . A 78 ALA C C 13 181.25 . A 78 ALA CA C 13 55.19 . A 78 ALA CB C 13 18.26 . A 78 ALA N N 15 122.50 . A 79 SER H H 1 9.32 . A 79 SER HA H 1 4.29 . A 79 SER HBx H 1 3.77 . A 79 SER HBy H 1 3.94 . A 79 SER C C 13 176.57 . A 79 SER CA C 13 61.08 . A 79 SER CB C 13 62.20 . A 79 SER N N 15 119.28 . A 80 TRP H H 1 8.90 . A 80 TRP HA H 1 4.02 . A 80 TRP HBx H 1 3.40 . A 80 TRP HBy H 1 3.40 . A 80 TRP HD1 H 1 6.71 . A 80 TRP HE1 H 1 9.95 . A 80 TRP HE3 H 1 6.82 . A 80 TRP HH2 H 1 7.14 . A 80 TRP HZ2 H 1 7.46 . A 80 TRP HZ3 H 1 6.73 . A 80 TRP C C 13 178.21 . A 80 TRP CA C 13 62.49 . A 80 TRP CB C 13 29.80 . A 80 TRP CD1 C 13 126.80 . A 80 TRP CE3 C 13 131.40 . A 80 TRP CH2 C 13 124.80 . A 80 TRP CZ2 C 13 114.50 . A 80 TRP CZ3 C 13 121.90 . A 80 TRP N N 15 125.87 . A 80 TRP NE1 N 15 127.31 . A 81 HIS H H 1 8.19 . A 81 HIS HA H 1 3.93 . A 81 HIS HBx H 1 3.31 . A 81 HIS HBy H 1 3.42 . A 81 HIS HD2 H 1 7.42 . A 81 HIS HE1 H 1 8.09 . A 81 HIS C C 13 177.74 . A 81 HIS CA C 13 61.02 . A 81 HIS CB C 13 28.91 . A 81 HIS CD2 C 13 121.08 . A 81 HIS N N 15 114.08 . A 82 LEU H H 1 8.08 . A 82 LEU HA H 1 3.90 . A 82 LEU HBx H 1 1.60 . A 82 LEU HBy H 1 1.81 . A 82 LEU HDx% H 1 0.80 . A 82 LEU HDy% H 1 0.68 . A 82 LEU HG H 1 1.44 . A 82 LEU C C 13 180.33 . A 82 LEU CA C 13 58.59 . A 82 LEU CB C 13 41.35 . A 82 LEU CDy C 13 26.68 . A 82 LEU CDx C 13 25.27 . A 82 LEU CG C 13 27.22 . A 82 LEU N N 15 121.32 . A 83 VAL H H 1 8.00 . A 83 VAL HA H 1 3.21 . A 83 VAL HB H 1 2.05 . A 83 VAL HGx% H 1 0.47 . A 83 VAL HGy% H 1 1.33 . A 83 VAL C C 13 177.06 . A 83 VAL CA C 13 67.43 . A 83 VAL CB C 13 31.68 . A 83 VAL CGx C 13 22.92 . A 83 VAL CGy C 13 23.53 . A 83 VAL N N 15 118.85 . A 84 ARG H H 1 7.54 . A 84 ARG HA H 1 3.59 . A 84 ARG HBx H 1 1.21 . A 84 ARG HBy H 1 1.52 . A 84 ARG HDx H 1 2.26 . A 84 ARG HDy H 1 2.39 . A 84 ARG HGx H 1 0.50 . A 84 ARG HGy H 1 0.76 . A 84 ARG C C 13 177.24 . A 84 ARG CA C 13 56.05 . A 84 ARG CB C 13 28.19 . A 84 ARG CD C 13 40.59 . A 84 ARG CG C 13 25.49 . A 84 ARG N N 15 111.46 . A 85 SER H H 1 7.53 . A 85 SER HA H 1 4.28 . A 85 SER HBx H 1 3.88 . A 85 SER HBy H 1 4.00 . A 85 SER C C 13 173.93 . A 85 SER CA C 13 59.22 . A 85 SER CB C 13 63.83 . A 85 SER N N 15 113.66 . A 86 VAL H H 1 7.23 . A 86 VAL HA H 1 3.48 . A 86 VAL HB H 1 2.12 . A 86 VAL HGx% H 1 0.82 . A 86 VAL HGy% H 1 0.55 . A 86 VAL CA C 13 61.30 . A 86 VAL CB C 13 31.78 . A 86 VAL CGx C 13 20.90 . A 86 VAL CGy C 13 22.79 . A 86 VAL N N 15 128.12 . A 87 PRO HA H 1 4.14 . A 87 PRO HBx H 1 1.75 . A 87 PRO HBy H 1 2.23 . A 87 PRO HDx H 1 3.44 . A 87 PRO HDy H 1 3.97 . A 87 PRO HGx H 1 2.00 . A 87 PRO HGy H 1 2.12 . A 87 PRO C C 13 176.40 . A 87 PRO CA C 13 64.10 . A 87 PRO CB C 13 31.71 . A 87 PRO CD C 13 51.28 . A 87 PRO CG C 13 28.01 . A 88 ARG H H 1 8.32 . A 88 ARG HA H 1 3.03 . A 88 ARG HBx H 1 0.91 . A 88 ARG HBy H 1 1.02 . A 88 ARG HDx H 1 2.02 . A 88 ARG HDy H 1 2.21 . A 88 ARG HGx H 1 1.33 . A 88 ARG HGy H 1 1.33 . A 88 ARG C C 13 174.63 . A 88 ARG CA C 13 57.62 . A 88 ARG CB C 13 26.96 . A 88 ARG CD C 13 43.12 . A 88 ARG CG C 13 26.25 . A 88 ARG N N 15 111.36 . A 89 VAL H H 1 7.39 . A 89 VAL HA H 1 3.91 . A 89 VAL HB H 1 2.11 . A 89 VAL HGx% H 1 0.73 . A 89 VAL HGy% H 1 0.52 . A 89 VAL C C 13 177.37 . A 89 VAL CA C 13 64.17 . A 89 VAL CB C 13 32.07 . A 89 VAL CGy C 13 24.19 . A 89 VAL CGx C 13 21.34 . A 89 VAL N N 15 117.90 . A 90 MET H H 1 9.29 . A 90 MET HA H 1 4.34 . A 90 MET HBy H 1 2.05 . A 90 MET HBx H 1 1.42 . A 90 MET HE% H 1 1.84 . A 90 MET HGx H 1 2.12 . A 90 MET HGy H 1 2.16 . A 90 MET C C 13 175.80 . A 90 MET CA C 13 56.44 . A 90 MET CB C 13 34.16 . A 90 MET CE C 13 16.50 . A 90 MET CG C 13 31.79 . A 90 MET N N 15 128.20 . A 91 GLY H H 1 7.13 . A 91 GLY HAx H 1 3.34 . A 91 GLY HAy H 1 4.41 . A 91 GLY C C 13 170.92 . A 91 GLY CA C 13 44.44 . A 91 GLY N N 15 104.32 . A 92 PHE H H 1 8.79 . A 92 PHE HA H 1 5.27 . A 92 PHE HBx H 1 3.04 . A 92 PHE HBy H 1 3.20 . A 92 PHE HD1 H 1 7.32 . A 92 PHE HD2 H 1 7.32 . A 92 PHE HE1 H 1 6.82 . A 92 PHE HE2 H 1 6.82 . A 92 PHE HZ H 1 6.76 . A 92 PHE C C 13 176.23 . A 92 PHE CA C 13 57.48 . A 92 PHE CB C 13 42.19 . A 92 PHE CD1 C 13 132.40 . A 92 PHE CD2 C 13 132.40 . A 92 PHE CE1 C 13 131.20 . A 92 PHE CE2 C 13 131.20 . A 92 PHE N N 15 118.77 . A 93 ILE H H 1 8.80 . A 93 ILE HA H 1 4.31 . A 93 ILE HB H 1 1.61 . A 93 ILE HD1% H 1 0.63 . A 93 ILE HG1x H 1 1.03 . A 93 ILE HG1y H 1 1.20 . A 93 ILE HG2% H 1 0.89 . A 93 ILE C C 13 176.38 . A 93 ILE CA C 13 60.48 . A 93 ILE CB C 13 38.01 . A 93 ILE CD1 C 13 11.49 . A 93 ILE CG1 C 13 27.36 . A 93 ILE CG2 C 13 16.80 . A 93 ILE N N 15 122.30 . A 94 GLY H H 1 8.64 . A 94 GLY HAx H 1 3.83 . A 94 GLY HAy H 1 4.60 . A 94 GLY C C 13 175.08 . A 94 GLY CA C 13 44.53 . A 94 GLY N N 15 116.55 . A 95 GLY H H 1 8.90 . A 95 GLY HAx H 1 3.97 . A 95 GLY HAy H 1 4.37 . A 95 GLY C C 13 174.56 . A 95 GLY CA C 13 45.64 . A 95 GLY N N 15 112.96 . A 96 THR H H 1 7.83 . A 96 THR HA H 1 4.72 . A 96 THR HB H 1 4.54 . A 96 THR HG2% H 1 1.21 . A 96 THR C C 13 176.26 . A 96 THR CA C 13 60.36 . A 96 THR CB C 13 70.96 . A 96 THR CG2 C 13 21.60 . A 96 THR N N 15 113.35 . A 97 SER H H 1 8.85 . A 97 SER HA H 1 4.31 . A 97 SER HBx H 1 4.05 . A 97 SER HBy H 1 4.05 . A 97 SER C C 13 175.57 . A 97 SER CA C 13 60.85 . A 97 SER CB C 13 63.00 . A 97 SER N N 15 116.42 . A 98 ASP H H 1 8.36 . A 98 ASP HA H 1 4.31 . A 98 ASP HBx H 1 2.38 . A 98 ASP HBy H 1 2.43 . A 98 ASP C C 13 175.38 . A 98 ASP CA C 13 54.19 . A 98 ASP CB C 13 40.74 . A 98 ASP N N 15 116.32 . A 99 ARG H H 1 7.45 . A 99 ARG HA H 1 4.35 . A 99 ARG HBx H 1 1.56 . A 99 ARG HBy H 1 1.61 . A 99 ARG HDx H 1 2.97 . A 99 ARG HDy H 1 3.00 . A 99 ARG HGx H 1 1.30 . A 99 ARG HGy H 1 1.35 . A 99 ARG CA C 13 52.92 . A 99 ARG CB C 13 30.34 . A 99 ARG CD C 13 43.26 . A 99 ARG CG C 13 26.63 . A 99 ARG N N 15 119.96 . A 100 PRO HA H 1 4.75 . A 100 PRO HBx H 1 1.57 . A 100 PRO HBy H 1 2.11 . A 100 PRO HDx H 1 3.07 . A 100 PRO HDy H 1 3.23 . A 100 PRO HGy H 1 1.34 . A 100 PRO HGx H 1 0.96 . A 100 PRO C C 13 175.22 . A 100 PRO CA C 13 62.68 . A 100 PRO CB C 13 32.82 . A 100 PRO CD C 13 49.84 . A 100 PRO CG C 13 27.51 . A 101 ALA H H 1 7.21 . A 101 ALA HA H 1 5.03 . A 101 ALA HB% H 1 1.37 . A 101 ALA CA C 13 48.57 . A 101 ALA CB C 13 19.66 . A 101 ALA N N 15 124.49 . A 102 PRO HA H 1 4.44 . A 102 PRO HBx H 1 1.82 . A 102 PRO HBy H 1 2.28 . A 102 PRO HDx H 1 3.62 . A 102 PRO HDy H 1 3.81 . A 102 PRO HGx H 1 2.01 . A 102 PRO HGy H 1 2.01 . A 102 PRO C C 13 177.20 . A 102 PRO CA C 13 62.19 . A 102 PRO CB C 13 32.31 . A 102 PRO CD C 13 50.50 . A 102 PRO CG C 13 27.44 . A 103 ILE H H 1 8.55 . A 103 ILE HA H 1 4.63 . A 103 ILE HB H 1 1.79 . A 103 ILE HD1% H 1 0.55 . A 103 ILE HG1x H 1 0.82 . A 103 ILE HG1y H 1 1.34 . A 103 ILE HG2% H 1 0.83 . A 103 ILE C C 13 175.46 . A 103 ILE CA C 13 59.73 . A 103 ILE CB C 13 40.14 . A 103 ILE CD1 C 13 14.47 . A 103 ILE CG1 C 13 26.06 . A 103 ILE CG2 C 13 17.85 . A 103 ILE N N 15 115.67 . A 104 SER H H 1 8.73 . A 104 SER HA H 1 4.50 . A 104 SER HBx H 1 4.04 . A 104 SER HBy H 1 4.34 . A 104 SER C C 13 174.84 . A 104 SER CA C 13 58.01 . A 104 SER CB C 13 65.47 . A 104 SER N N 15 119.17 . A 105 ASP H H 1 8.83 . A 105 ASP HA H 1 4.20 . A 105 ASP HBx H 1 2.68 . A 105 ASP HBy H 1 2.81 . A 105 ASP C C 13 178.52 . A 105 ASP CA C 13 57.87 . A 105 ASP CB C 13 40.04 . A 105 ASP N N 15 121.64 . A 106 LYS H H 1 8.13 . A 106 LYS HA H 1 4.10 . A 106 LYS HBx H 1 1.77 . A 106 LYS HBy H 1 1.77 . A 106 LYS HDx H 1 1.68 . A 106 LYS HDy H 1 1.72 . A 106 LYS HEx H 1 3.01 . A 106 LYS HEy H 1 3.01 . A 106 LYS HGx H 1 1.45 . A 106 LYS HGy H 1 1.57 . A 106 LYS C C 13 179.40 . A 106 LYS CA C 13 58.98 . A 106 LYS CB C 13 32.33 . A 106 LYS CD C 13 29.10 . A 106 LYS CE C 13 42.22 . A 106 LYS CG C 13 24.99 . A 106 LYS N N 15 118.30 . A 107 GLU H H 1 7.67 . A 107 GLU HA H 1 4.02 . A 107 GLU HBx H 1 1.97 . A 107 GLU HBy H 1 2.26 . A 107 GLU HGx H 1 2.24 . A 107 GLU HGy H 1 2.24 . A 107 GLU C C 13 178.75 . A 107 GLU CA C 13 59.21 . A 107 GLU CB C 13 29.78 . A 107 GLU CG C 13 37.65 . A 107 GLU N N 15 121.27 . A 108 VAL H H 1 7.79 . A 108 VAL HA H 1 3.05 . A 108 VAL HB H 1 1.67 . A 108 VAL HGx% H 1 -0.06 . A 108 VAL HGy% H 1 0.19 . A 108 VAL C C 13 177.55 . A 108 VAL CA C 13 67.08 . A 108 VAL CB C 13 31.22 . A 108 VAL CGx C 13 20.46 . A 108 VAL CGy C 13 22.66 . A 108 VAL N N 15 120.94 . A 109 ASP H H 1 7.84 . A 109 ASP HA H 1 4.11 . A 109 ASP HBy H 1 2.69 . A 109 ASP HBx H 1 2.53 . A 109 ASP C C 13 178.19 . A 109 ASP CA C 13 57.47 . A 109 ASP CB C 13 40.48 . A 109 ASP N N 15 118.78 . A 110 ALA H H 1 7.52 . A 110 ALA HA H 1 4.11 . A 110 ALA HB% H 1 1.46 . A 110 ALA C C 13 180.55 . A 110 ALA CA C 13 54.88 . A 110 ALA CB C 13 18.44 . A 110 ALA N N 15 120.64 . A 111 ILE H H 1 7.84 . A 111 ILE HA H 1 3.58 . A 111 ILE HB H 1 1.62 . A 111 ILE HD1% H 1 0.61 . A 111 ILE HG2% H 1 0.55 . A 111 ILE C C 13 177.47 . A 111 ILE CA C 13 64.62 . A 111 ILE CB C 13 38.60 . A 111 ILE CD1 C 13 13.88 . A 111 ILE CG2 C 13 17.29 . A 111 ILE N N 15 119.84 . A 112 MET H H 1 8.10 . A 112 MET HA H 1 4.40 . A 112 MET HBx H 1 1.92 . A 112 MET HBy H 1 2.06 . A 112 MET HE% H 1 1.90 . A 112 MET HGx H 1 2.25 . A 112 MET HGy H 1 2.25 . A 112 MET C C 13 177.71 . A 112 MET CA C 13 55.30 . A 112 MET CB C 13 30.51 . A 112 MET CE C 13 16.10 . A 112 MET CG C 13 36.27 . A 112 MET N N 15 115.18 . A 113 ASN H H 1 8.07 . A 113 ASN HA H 1 4.57 . A 113 ASN HBx H 1 2.71 . A 113 ASN HBy H 1 2.96 . A 113 ASN HD21 H 1 7.59 . A 113 ASN HD22 H 1 6.88 . A 113 ASN C C 13 175.53 . A 113 ASN CA C 13 54.42 . A 113 ASN CB C 13 38.35 . A 113 ASN N N 15 117.19 . A 113 ASN ND2 N 15 112.90 . A 114 ARG H H 1 8.07 . A 114 ARG HA H 1 4.28 . A 114 ARG HBx H 1 1.83 . A 114 ARG HBy H 1 1.83 . A 114 ARG HDx H 1 3.10 . A 114 ARG HDy H 1 3.10 . A 114 ARG HGx H 1 1.58 . A 114 ARG HGy H 1 1.58 . A 114 ARG C C 13 176.62 . A 114 ARG CA C 13 56.91 . A 114 ARG CB C 13 30.37 . A 114 ARG CD C 13 43.48 . A 114 ARG CG C 13 27.20 . A 114 ARG N N 15 118.36 . A 115 LEU H H 1 8.10 . A 115 LEU HA H 1 4.31 . A 115 LEU HBx H 1 1.56 . A 115 LEU HBy H 1 1.66 . A 115 LEU HDx% H 1 0.89 . A 115 LEU HDy% H 1 0.83 . A 115 LEU HG H 1 1.61 . A 115 LEU C C 13 177.44 . A 115 LEU CA C 13 55.44 . A 115 LEU CB C 13 42.25 . A 115 LEU CDy C 13 25.28 . A 115 LEU CDx C 13 23.51 . A 115 LEU CG C 13 26.96 . A 115 LEU N N 15 120.58 . A 116 GLN H H 1 8.18 . A 116 GLN HA H 1 4.36 . A 116 GLN HBx H 1 1.99 . A 116 GLN HBy H 1 2.09 . A 116 GLN HE21 H 1 6.80 . A 116 GLN HE22 H 1 7.50 . A 116 GLN HGx H 1 2.34 . A 116 GLN HGy H 1 2.36 . A 116 GLN C C 13 175.89 . A 116 GLN CA C 13 55.81 . A 116 GLN CB C 13 29.50 . A 116 GLN CG C 13 33.85 . A 116 GLN N N 15 119.77 . A 117 GLN H H 1 8.35 . A 117 GLN HA H 1 4.38 . A 117 GLN HBx H 1 2.00 . A 117 GLN HBy H 1 2.11 . A 117 GLN HE21 H 1 6.80 . A 117 GLN HE22 H 1 7.50 . A 117 GLN HGx H 1 2.36 . A 117 GLN HGy H 1 2.36 . A 117 GLN C C 13 176.13 . A 117 GLN CA C 13 55.81 . A 117 GLN CB C 13 29.50 . A 117 GLN CG C 13 33.85 . A 117 GLN N N 15 121.44 . A 118 VAL H H 1 8.24 . A 118 VAL HA H 1 4.12 . A 118 VAL HB H 1 2.08 . A 118 VAL HGx% H 1 0.90 . A 118 VAL HGy% H 1 0.90 . A 118 VAL C C 13 176.65 . A 118 VAL CA C 13 62.72 . A 118 VAL CB C 13 32.73 . A 118 VAL CGx C 13 20.90 . A 118 VAL CGy C 13 20.90 . A 118 VAL N N 15 121.25 . A 119 GLY H H 1 8.46 . A 119 GLY HAx H 1 3.99 . A 119 GLY HAy H 1 3.99 . A 119 GLY C C 13 173.77 . A 119 GLY CA C 13 45.26 . A 119 GLY N N 15 112.30 . A 120 ASP H H 1 8.23 . A 120 ASP HA H 1 4.58 . A 120 ASP HBx H 1 2.61 . A 120 ASP HBy H 1 2.65 . A 120 ASP C C 13 175.18 . A 120 ASP CA C 13 54.34 . A 120 ASP CB C 13 41.39 . A 120 ASP N N 15 120.42 . A 121 LYS H H 1 7.95 . A 121 LYS HA H 1 4.24 . A 121 LYS CA C 13 53.62 . A 121 LYS N N 15 119.11 . A 122 PRO HA H 1 4.41 . A 122 PRO C C 13 176.56 . A 122 PRO CA C 13 63.13 . A 123 ARG H H 1 8.40 . A 123 ARG HA H 1 4.62 . A 123 ARG CA C 13 53.83 . A 123 ARG N N 15 122.91 . 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 120 ASP H A 119 GLY HAx 1.0 0.0 4.0 2 1 A 120 ASP H A 119 GLY HAy 1.0 0.0 4.0 3 2 A 120 ASP H A 118 VAL HB 1.0 0.0 5.0 4 3 A 120 ASP H A 118 VAL HGx% 1.0 0.0 6.0 5 3 A 120 ASP H A 118 VAL HGy% 1.0 0.0 6.0 6 4 A 118 VAL HB A 120 ASP HA 1.0 0.0 5.0 7 5 A 119 GLY H A 118 VAL HA 1.0 0.0 4.0 8 6 A 118 VAL H A 117 GLN HA 1.0 0.0 4.0 9 7 A 117 GLN H A 116 GLN HA 1.0 0.0 5.0 10 8 A 116 GLN H A 115 LEU HA 1.0 0.0 5.0 11 9 A 116 GLN HA A 115 LEU HDy% 1.0 0.0 6.0 12 10 A 115 LEU H A 112 MET HA 1.0 0.0 5.0 13 11 A 115 LEU H A 114 ARG HA 1.0 0.0 4.0 14 12 A 115 LEU HG A 114 ARG HBx 1.0 0.0 6.0 15 12 A 115 LEU HG A 114 ARG HBy 1.0 0.0 6.0 16 13 A 114 ARG H A 113 ASN HA 1.0 0.0 5.0 17 14 A 114 ARG H A 110 ALA HA 1.0 0.0 5.0 18 15 A 117 GLN H A 114 ARG HA 1.0 0.0 4.0 19 16 A 114 ARG HA A 117 GLN HGx 1.0 0.0 5.0 20 16 A 114 ARG HA A 117 GLN HGy 1.0 0.0 5.0 21 17 A 114 ARG HA A 117 GLN HBy 1.0 0.0 3.0 22 18 A 114 ARG HA A 117 GLN HBx 1.0 0.0 3.0 23 19 A 110 ALA HB% A 114 ARG HDx 1.0 0.0 6.0 24 19 A 114 ARG HDy A 110 ALA HB% 1.0 0.0 6.0 25 20 A 112 MET HA A 113 ASN H 1.0 0.0 5.0 26 21 A 110 ALA HA A 113 ASN H 1.0 0.0 4.0 27 22 A 113 ASN H A 112 MET HBy 1.0 0.0 5.0 28 23 A 113 ASN H A 112 MET HBx 1.0 0.0 5.0 29 24 A 116 GLN H A 113 ASN HA 1.0 0.0 4.0 30 25 A 113 ASN HA A 116 GLN HBx 1.0 0.0 6.0 31 25 A 113 ASN HA A 116 GLN HBy 1.0 0.0 6.0 32 26 A 110 ALA HA A 113 ASN HBy 1.0 0.0 5.0 33 27 A 110 ALA HA A 113 ASN HBx 1.0 0.0 5.0 34 28 A 110 ALA HA A 113 ASN HD21 1.0 0.0 5.0 35 29 A 110 ALA HA A 113 ASN HD22 1.0 0.0 5.0 36 30 A 112 MET H A 111 ILE H 1.0 0.0 5.0 37 31 A 112 MET H A 109 ASP HA 1.0 0.0 5.0 38 32 A 112 MET H A 108 VAL HA 1.0 0.0 5.0 39 33 A 112 MET H A 111 ILE HB 1.0 0.0 5.0 40 34 A 112 MET HA A 115 LEU HBx 1.0 0.0 5.0 41 34 A 112 MET HA A 115 LEU HBy 1.0 0.0 5.0 42 35 A 112 MET HA A 115 LEU HDx% 1.0 0.0 5.0 43 35 A 112 MET HA A 115 LEU HDy% 1.0 0.0 5.0 44 36 A 111 ILE H A 110 ALA H 1.0 0.0 5.0 45 37 A 111 ILE H A 108 VAL HA 1.0 0.0 5.0 46 38 A 112 MET H A 110 ALA H 1.0 0.0 5.0 47 39 A 110 ALA H A 107 GLU HA 1.0 0.0 5.0 48 40 A 108 VAL HA A 110 ALA H 1.0 0.0 5.0 49 41 A 110 ALA H A 109 ASP HBy 1.0 0.0 5.0 50 42 A 110 ALA H A 109 ASP HBx 1.0 0.0 5.0 51 43 A 110 ALA H A 107 GLU HBy 1.0 0.0 6.0 52 44 A 113 ASN HA A 110 ALA HA 1.0 0.0 6.0 53 45 A 110 ALA HB% A 111 ILE H 1.0 0.0 4.0 54 46 A 110 ALA HB% A 107 GLU HA 1.0 0.0 5.0 55 47 A 110 ALA HB% A 113 ASN HBy 1.0 0.0 5.0 56 48 A 110 ALA HB% A 113 ASN HBx 1.0 0.0 5.0 57 49 A 109 ASP H A 106 LYS H 1.0 0.0 5.0 58 50 A 110 ALA H A 109 ASP H 1.0 0.0 5.0 59 51 A 109 ASP H A 107 GLU HBy 1.0 0.0 5.0 60 52 A 109 ASP H A 108 VAL HB 1.0 0.0 4.0 61 53 A 113 ASN H A 109 ASP HA 1.0 0.0 5.0 62 54 A 109 ASP HA A 110 ALA H 1.0 0.0 5.0 63 55 A 109 ASP HA A 112 MET HBy 1.0 0.0 5.0 64 55 A 109 ASP HA A 112 MET HBx 1.0 0.0 5.0 65 56 A 109 ASP HA A 108 VAL HGx% 1.0 0.0 5.0 66 57 A 113 ASN H A 109 ASP HBx 1.0 0.0 6.0 67 58 A 110 ALA H A 109 ASP HBx 1.0 0.0 5.0 68 59 A 106 LYS H A 108 VAL H 1.0 0.0 5.0 69 60 A 108 VAL H A 107 GLU H 1.0 0.0 5.0 70 61 A 108 VAL H A 105 ASP HA 1.0 0.0 4.0 71 62 A 108 VAL H A 107 GLU HBx 1.0 0.0 5.0 72 62 A 108 VAL H A 107 GLU HBy 1.0 0.0 5.0 73 63 A 108 VAL H A 103 ILE HD1% 1.0 0.0 5.0 74 64 A 108 VAL HA A 70 LEU HDx% 1.0 0.0 6.0 75 64 A 108 VAL HA A 70 LEU HDy% 1.0 0.0 6.0 76 65 A 108 VAL HA A 111 ILE HD1% 1.0 0.0 4.0 77 66 A 108 VAL HGy% A 103 ILE HG1y 1.0 0.0 5.0 78 67 A 108 VAL HGx% A 70 LEU HDx% 1.0 0.0 5.0 79 67 A 108 VAL HGx% A 70 LEU HDy% 1.0 0.0 5.0 80 68 A 107 GLU H A 104 SER H 1.0 0.0 5.0 81 69 A 106 LYS H A 107 GLU H 1.0 0.0 5.0 82 70 A 107 GLU H A 104 SER HBy 1.0 0.0 5.0 83 71 A 107 GLU H A 103 ILE HG2% 1.0 0.0 6.0 84 71 A 107 GLU H A 103 ILE HG1y 1.0 0.0 6.0 85 71 A 107 GLU H A 103 ILE HG1x 1.0 0.0 6.0 86 72 A 107 GLU H A 103 ILE HD1% 1.0 0.0 5.0 87 73 A 107 GLU HA A 106 LYS HGx 1.0 0.0 5.0 88 73 A 107 GLU HA A 106 LYS HGy 1.0 0.0 5.0 89 74 A 107 GLU HA A 103 ILE HD1% 1.0 0.0 5.0 90 75 A 107 GLU HBy A 103 ILE HG2% 1.0 0.0 5.0 91 75 A 107 GLU HBy A 103 ILE HG1y 1.0 0.0 5.0 92 75 A 107 GLU HBy A 103 ILE HG1x 1.0 0.0 5.0 93 76 A 107 GLU HBy A 103 ILE HD1% 1.0 0.0 5.0 94 77 A 103 ILE HG1x A 107 GLU HBx 1.0 0.0 5.0 95 77 A 103 ILE HG1y A 107 GLU HBx 1.0 0.0 5.0 96 77 A 103 ILE HG2% A 107 GLU HBx 1.0 0.0 5.0 97 78 A 103 ILE HD1% A 107 GLU HBx 1.0 0.0 5.0 98 79 A 104 SER H A 107 GLU HGx 1.0 0.0 5.0 99 79 A 104 SER H A 107 GLU HGy 1.0 0.0 5.0 100 80 A 107 GLU HGy A 103 ILE HG2% 1.0 0.0 6.0 101 80 A 103 ILE HG1y A 107 GLU HGx 1.0 0.0 6.0 102 80 A 103 ILE HG1x A 107 GLU HGy 1.0 0.0 6.0 103 80 A 103 ILE HG2% A 107 GLU HGx 1.0 0.0 6.0 104 80 A 103 ILE HG1x A 107 GLU HGx 1.0 0.0 6.0 105 80 A 107 GLU HGy A 103 ILE HG1y 1.0 0.0 6.0 106 81 A 106 LYS H A 104 SER HBy 1.0 0.0 5.0 107 82 A 106 LYS H A 104 SER HBx 1.0 0.0 5.0 108 83 A 109 ASP H A 106 LYS HA 1.0 0.0 5.0 109 84 A 109 ASP HBy A 106 LYS HA 1.0 0.0 3.0 110 85 A 109 ASP HBx A 106 LYS HA 1.0 0.0 5.0 111 86 A 106 LYS H A 105 ASP H 1.0 0.0 4.0 112 87 A 107 GLU H A 105 ASP H 1.0 0.0 5.0 113 88 A 105 ASP H A 104 SER HA 1.0 0.0 4.0 114 89 A 104 SER HBy A 105 ASP H 1.0 0.0 5.0 115 90 A 104 SER HBx A 105 ASP H 1.0 0.0 5.0 116 91 A 105 ASP HA A 9 TRP HD1 1.0 0.0 4.0 117 92 A 108 VAL HB A 105 ASP HA 1.0 0.0 4.0 118 93 A 105 ASP HA A 108 VAL HGy% 1.0 0.0 4.0 119 94 A 104 SER H A 103 ILE HA 1.0 0.0 4.0 120 95 A 104 SER H A 107 GLU HBx 1.0 0.0 6.0 121 95 A 107 GLU HBy A 104 SER H 1.0 0.0 6.0 122 96 A 104 SER H A 103 ILE HB 1.0 0.0 5.0 123 97 A 104 SER H A 103 ILE HG1x 1.0 0.0 5.0 124 98 A 103 ILE H A 102 PRO HA 1.0 0.0 4.0 125 99 A 103 ILE H A 9 TRP HBy 1.0 0.0 5.0 126 100 A 103 ILE H A 9 TRP HBx 1.0 0.0 5.0 127 101 A 103 ILE H A 102 PRO HBx 1.0 0.0 3.0 128 102 A 107 GLU HBy A 103 ILE HB 1.0 0.0 5.0 129 103 A 107 GLU HBy A 103 ILE HG1y 1.0 0.0 5.0 130 104 A 103 ILE HG1y A 107 GLU HBx 1.0 0.0 5.0 131 105 A 103 ILE HD1% A 9 TRP HBy 1.0 0.0 5.0 132 106 A 103 ILE HD1% A 108 VAL HGy% 1.0 0.0 4.0 133 107 A 102 PRO HDy A 101 ALA HB% 1.0 0.0 4.0 134 108 A 101 ALA HB% A 102 PRO HDx 1.0 0.0 4.0 135 109 A 101 ALA H A 96 THR H 1.0 0.0 5.0 136 110 A 101 ALA H A 100 PRO HA 1.0 0.0 4.0 137 111 A 101 ALA H A 94 GLY HAy 1.0 0.0 5.0 138 112 A 101 ALA H A 94 GLY HAx 1.0 0.0 5.0 139 113 A 102 PRO HDy A 101 ALA HA 1.0 0.0 4.0 140 114 A 100 PRO HDy A 99 ARG HA 1.0 0.0 4.0 141 115 A 99 ARG HA A 100 PRO HDx 1.0 0.0 4.0 142 116 A 99 ARG H A 98 ASP H 1.0 0.0 4.0 143 117 A 99 ARG H A 96 THR HB 1.0 0.0 5.0 144 118 A 99 ARG H A 97 SER HBx 1.0 0.0 6.0 145 118 A 99 ARG H A 97 SER HBy 1.0 0.0 6.0 146 119 A 98 ASP H A 96 THR HB 1.0 0.0 5.0 147 120 A 98 ASP H A 97 SER HBx 1.0 0.0 5.0 148 120 A 98 ASP H A 97 SER HBy 1.0 0.0 5.0 149 121 A 98 ASP H A 96 THR HG2% 1.0 0.0 5.0 150 122 A 98 ASP HA A 80 TRP HE1 1.0 0.0 3.0 151 123 A 99 ARG H A 98 ASP HA 1.0 0.0 4.0 152 124 A 97 SER HA A 92 PHE HD% 1.0 0.0 6.0 153 125 A 96 THR H A 99 ARG H 1.0 0.0 5.0 154 126 A 96 THR H A 94 GLY HAy 1.0 0.0 5.0 155 127 A 96 THR H A 95 GLY HAy 1.0 0.0 4.0 156 128 A 96 THR H A 95 GLY HAx 1.0 0.0 4.0 157 129 A 101 ALA H A 95 GLY H 1.0 0.0 5.0 158 130 A 94 GLY HAy A 95 GLY H 1.0 0.0 4.0 159 131 A 94 GLY HAx A 95 GLY H 1.0 0.0 4.0 160 132 A 101 ALA H A 95 GLY HAy 1.0 0.0 5.0 161 133 A 101 ALA H A 95 GLY HAx 1.0 0.0 5.0 162 134 A 94 GLY H A 93 ILE HA 1.0 0.0 4.0 163 135 A 94 GLY H A 93 ILE HG2% 1.0 0.0 3.0 164 136 A 94 GLY H A 93 ILE HD1% 1.0 0.0 5.0 165 137 A 93 ILE HD1% A 13 GLN HGx 1.0 0.0 5.0 166 137 A 93 ILE HD1% A 13 GLN HGy 1.0 0.0 5.0 167 138 A 93 ILE HD1% A 68 TYR HE% 1.0 0.0 4.0 168 139 A 93 ILE H A 92 PHE HA 1.0 0.0 4.0 169 140 A 93 ILE H A 12 VAL HA 1.0 0.0 4.0 170 141 A 93 ILE H A 11 VAL HGy% 1.0 0.0 5.0 171 142 A 93 ILE HD1% A 11 VAL HGy% 1.0 0.0 5.0 172 143 A 92 PHE H A 91 GLY HAy 1.0 0.0 4.0 173 144 A 92 PHE H A 91 GLY HAx 1.0 0.0 4.0 174 145 A 92 PHE H A 83 VAL HGx% 1.0 0.0 5.0 175 146 A 80 TRP HE1 A 92 PHE HD% 1.0 0.0 5.0 176 147 A 92 PHE HD% A 11 VAL H 1.0 0.0 5.0 177 148 A 92 PHE HD% A 100 PRO HBy 1.0 0.0 5.0 178 149 A 92 PHE HD% A 100 PRO HBx 1.0 0.0 5.0 179 150 A 92 PHE HD% A 83 VAL HGy% 1.0 0.0 5.0 180 151 A 92 PHE HD% A 83 VAL HGx% 1.0 0.0 4.0 181 152 A 92 PHE HE% A 80 TRP HA 1.0 0.0 5.0 182 153 A 92 PHE HE% A 80 TRP HBx 1.0 0.0 5.0 183 153 A 92 PHE HE% A 80 TRP HBy 1.0 0.0 5.0 184 154 A 92 PHE HE% A 100 PRO HBy 1.0 0.0 5.0 185 155 A 92 PHE HE% A 100 PRO HBx 1.0 0.0 5.0 186 156 A 92 PHE HE% A 100 PRO HGy 1.0 0.0 5.0 187 157 A 92 PHE HE% A 100 PRO HGx 1.0 0.0 5.0 188 158 A 83 VAL HGx% A 92 PHE HE% 1.0 0.0 5.0 189 159 A 92 PHE HZ A 100 PRO HBy 1.0 0.0 6.0 190 159 A 92 PHE HZ A 100 PRO HBx 1.0 0.0 6.0 191 160 A 83 VAL HGx% A 92 PHE HZ 1.0 0.0 5.0 192 161 A 83 VAL HGy% A 92 PHE HZ 1.0 0.0 4.0 193 162 A 91 GLY H A 90 MET H 1.0 0.0 5.0 194 163 A 91 GLY H A 89 VAL HGx% 1.0 0.0 5.0 195 164 A 15 PHE H A 90 MET HGy 1.0 0.0 5.0 196 165 A 89 VAL H A 88 ARG H 1.0 0.0 4.0 197 166 A 89 VAL H A 14 ALA HA 1.0 0.0 5.0 198 167 A 89 VAL H A 87 PRO HA 1.0 0.0 5.0 199 168 A 90 MET H A 89 VAL HA 1.0 0.0 4.0 200 169 A 91 GLY H A 89 VAL HA 1.0 0.0 5.0 201 170 A 14 ALA HA A 89 VAL HA 1.0 0.0 3.0 202 171 A 89 VAL HGx% A 86 VAL H 1.0 0.0 4.0 203 172 A 89 VAL HGx% A 22 VAL HGy% 1.0 0.0 4.0 204 173 A 90 MET H A 89 VAL HGy% 1.0 0.0 5.0 205 174 A 91 GLY H A 89 VAL HGy% 1.0 0.0 3.0 206 175 A 88 ARG H A 87 PRO HA 1.0 0.0 2.7 207 176 A 88 ARG H A 88 ARG HA 1.0 0.0 2.7 208 177 A 86 VAL H A 85 SER H 1.0 0.0 4.0 209 178 A 86 VAL H A 84 ARG HA 1.0 0.0 5.0 210 179 A 86 VAL H A 83 VAL HA 1.0 0.0 5.0 211 180 A 86 VAL HA A 87 PRO HDy 1.0 0.0 4.0 212 181 A 86 VAL HGx% A 25 SER H 1.0 0.0 5.0 213 182 A 86 VAL HGx% A 25 SER HA 1.0 0.0 5.0 214 183 A 86 VAL HGx% A 25 SER HBx 1.0 0.0 4.0 215 184 A 86 VAL HGy% A 26 LEU H 1.0 0.0 5.0 216 185 A 86 VAL HGy% A 29 HIS H 1.0 0.0 5.0 217 186 A 86 VAL HGy% A 27 ARG H 1.0 0.0 6.0 218 187 A 86 VAL HGy% A 29 HIS HBx 1.0 0.0 5.0 219 188 A 85 SER H A 83 VAL HA 1.0 0.0 5.0 220 189 A 86 VAL H A 84 ARG H 1.0 0.0 5.0 221 190 A 84 ARG H A 81 HIS HA 1.0 0.0 5.0 222 191 A 84 ARG H A 83 VAL H 1.0 0.0 4.0 223 192 A 83 VAL H A 79 SER HA 1.0 0.0 5.0 224 193 A 80 TRP HA A 83 VAL H 1.0 0.0 5.0 225 194 A 83 VAL H A 82 LEU HBy 1.0 0.0 5.0 226 195 A 83 VAL HA A 86 VAL HGx% 1.0 0.0 5.0 227 196 A 83 VAL HGy% A 79 SER HA 1.0 0.0 5.0 228 197 A 83 VAL HGy% A 80 TRP HA 1.0 0.0 5.0 229 198 A 83 VAL HGy% A 79 SER HBy 1.0 0.0 5.0 230 199 A 83 VAL HGy% A 79 SER HBx 1.0 0.0 5.0 231 200 A 83 VAL HGy% A 82 LEU HBy 1.0 0.0 4.0 232 201 A 82 LEU H A 80 TRP H 1.0 0.0 5.0 233 202 A 82 LEU H A 78 ALA HA 1.0 0.0 5.0 234 203 A 79 SER HA A 82 LEU H 1.0 0.0 5.0 235 204 A 85 SER H A 82 LEU HA 1.0 0.0 5.0 236 205 A 29 HIS HBx A 82 LEU HA 1.0 0.0 5.0 237 206 A 82 LEU HBy A 79 SER H 1.0 0.0 5.0 238 207 A 29 HIS H A 82 LEU HDy% 1.0 0.0 5.0 239 208 A 82 LEU HDy% A 30 ILE H 1.0 0.0 5.0 240 209 A 82 LEU HDy% A 33 HIS HD2 1.0 0.0 3.0 241 210 A 82 LEU HDy% A 33 HIS HBy 1.0 0.0 5.0 242 211 A 82 LEU HDy% A 29 HIS HBy 1.0 0.0 3.0 243 212 A 29 HIS HBx A 82 LEU HDy% 1.0 0.0 5.0 244 213 A 82 LEU HDy% A 33 HIS HBx 1.0 0.0 5.0 245 214 A 82 LEU HDy% A 35 MET HGy 1.0 0.0 5.0 246 214 A 82 LEU HDy% A 35 MET HGx 1.0 0.0 5.0 247 215 A 82 LEU HDy% A 35 MET HE% 1.0 0.0 3.0 248 216 A 79 SER H A 81 HIS H 1.0 0.0 5.0 249 217 A 78 ALA HA A 81 HIS H 1.0 0.0 5.0 250 218 A 81 HIS HA A 84 ARG HBy 1.0 0.0 5.0 251 219 A 81 HIS HA A 84 ARG HBx 1.0 0.0 5.0 252 220 A 78 ALA HA A 81 HIS HD2 1.0 0.0 5.0 253 221 A 80 TRP H A 79 SER H 1.0 0.0 4.0 254 222 A 80 TRP H A 76 ASN H 1.0 0.0 5.0 255 223 A 80 TRP H A 81 HIS H 1.0 0.0 4.0 256 224 A 80 TRP H A 76 ASN HD22 1.0 0.0 5.0 257 225 A 80 TRP H A 77 ASP HA 1.0 0.0 5.0 258 226 A 82 LEU HBy A 80 TRP H 1.0 0.0 5.0 259 227 A 80 TRP H A 78 ALA HB% 1.0 0.0 5.0 260 228 A 80 TRP HA A 83 VAL HB 1.0 0.0 5.0 261 229 A 80 TRP HA A 82 LEU HBy 1.0 0.0 6.0 262 230 A 92 PHE HD% A 80 TRP HD1 1.0 0.0 5.0 263 231 A 99 ARG HA A 80 TRP HD1 1.0 0.0 4.0 264 232 A 100 PRO HDy A 80 TRP HD1 1.0 0.0 5.0 265 233 A 100 PRO HDx A 80 TRP HD1 1.0 0.0 5.0 266 234 A 100 PRO HGx A 80 TRP HD1 1.0 0.0 4.0 267 235 A 100 PRO HDy A 80 TRP HE1 1.0 0.0 4.0 268 236 A 100 PRO HDx A 80 TRP HE1 1.0 0.0 4.0 269 237 A 83 VAL HGy% A 39 PHE HE% 1.0 0.0 4.0 270 238 A 80 TRP HE1 A 99 ARG HGx 1.0 0.0 5.0 271 238 A 80 TRP HE1 A 99 ARG HGy 1.0 0.0 5.0 272 239 A 99 ARG H A 80 TRP HE1 1.0 0.0 4.0 273 240 A 80 TRP HE1 A 100 PRO HGx 1.0 0.0 5.0 274 241 A 98 ASP HA A 80 TRP HZ2 1.0 0.0 3.0 275 242 A 79 SER H A 76 ASN H 1.0 0.0 5.0 276 243 A 79 SER H A 78 ALA H 1.0 0.0 4.0 277 244 A 79 SER H A 76 ASN HD21 1.0 0.0 5.0 278 245 A 79 SER H A 76 ASN HD22 1.0 0.0 3.0 279 246 A 79 SER H A 77 ASP HBx 1.0 0.0 6.0 280 247 A 79 SER H A 35 MET HE% 1.0 0.0 5.0 281 248 A 79 SER H A 78 ALA HB% 1.0 0.0 5.0 282 249 A 79 SER H A 38 LEU HDx% 1.0 0.0 5.0 283 250 A 79 SER H A 38 LEU HDy% 1.0 0.0 5.0 284 251 A 79 SER HA A 76 ASN HD22 1.0 0.0 5.0 285 252 A 79 SER HA A 82 LEU HBy 1.0 0.0 3.0 286 253 A 79 SER HA A 38 LEU HDx% 1.0 0.0 5.0 287 254 A 79 SER HA A 38 LEU HDy% 1.0 0.0 5.0 288 255 A 79 SER HBy A 38 LEU HDy% 1.0 0.0 5.0 289 256 A 79 SER HBx A 38 LEU HDy% 1.0 0.0 4.0 290 257 A 80 TRP H A 78 ALA H 1.0 0.0 5.0 291 258 A 76 ASN HD22 A 78 ALA H 1.0 0.0 5.0 292 259 A 78 ALA H A 76 ASN HBy 1.0 0.0 5.0 293 260 A 78 ALA H A 76 ASN HBx 1.0 0.0 5.0 294 261 A 78 ALA HA A 81 HIS HBy 1.0 0.0 5.0 295 262 A 35 MET HE% A 78 ALA HB% 1.0 0.0 3.0 296 263 A 79 SER H A 77 ASP H 1.0 0.0 5.0 297 264 A 77 ASP H A 76 ASN HA 1.0 0.0 4.0 298 265 A 76 ASN HBy A 77 ASP H 1.0 0.0 5.0 299 266 A 76 ASN HBx A 77 ASP H 1.0 0.0 5.0 300 267 A 77 ASP HA A 80 TRP HBx 1.0 0.0 4.0 301 267 A 80 TRP HBy A 77 ASP HA 1.0 0.0 4.0 302 268 A 77 ASP HA A 76 ASN HBy 1.0 0.0 5.0 303 269 A 78 ALA H A 77 ASP HBx 1.0 0.0 4.0 304 269 A 78 ALA H A 77 ASP HBy 1.0 0.0 4.0 305 270 A 76 ASN H A 78 ALA H 1.0 0.0 5.0 306 271 A 76 ASN H A 75 MET HA 1.0 0.0 4.0 307 272 A 79 SER HBy A 76 ASN H 1.0 0.0 5.0 308 273 A 79 SER HBx A 76 ASN H 1.0 0.0 5.0 309 274 A 76 ASN H A 73 MET HE% 1.0 0.0 4.0 310 275 A 76 ASN H A 38 LEU HDx% 1.0 0.0 5.0 311 276 A 78 ALA HB% A 76 ASN HD21 1.0 0.0 5.0 312 277 A 76 ASN HD21 A 38 LEU HDy% 1.0 0.0 4.0 313 278 A 76 ASN HD21 A 38 LEU HDx% 1.0 0.0 3.0 314 279 A 76 ASN HD22 A 78 ALA HB% 1.0 0.0 5.0 315 280 A 76 ASN HD22 A 38 LEU HDy% 1.0 0.0 4.0 316 281 A 76 ASN HD22 A 38 LEU HDx% 1.0 0.0 3.0 317 282 A 75 MET H A 74 VAL HA 1.0 0.0 2.7 318 283 A 75 MET H A 74 VAL HB 1.0 0.0 5.0 319 284 A 74 VAL H A 8 ARG H 1.0 0.0 5.0 320 285 A 74 VAL H A 73 MET HA 1.0 0.0 4.0 321 286 A 74 VAL H A 38 LEU HA 1.0 0.0 5.0 322 287 A 74 VAL H A 38 LEU HBx 1.0 0.0 5.0 323 288 A 38 LEU HDy% A 74 VAL H 1.0 0.0 5.0 324 289 A 8 ARG H A 73 MET H 1.0 0.0 4.0 325 290 A 73 MET H A 9 TRP HA 1.0 0.0 5.0 326 291 A 73 MET H A 72 GLN HA 1.0 0.0 4.0 327 292 A 73 MET H A 7 LYS HA 1.0 0.0 5.0 328 293 A 73 MET H A 71 VAL HGx% 1.0 0.0 5.0 329 294 A 71 VAL HGx% A 73 MET HBx 1.0 0.0 5.0 330 295 A 72 GLN H A 43 MET H 1.0 0.0 5.0 331 296 A 72 GLN H A 41 GLU H 1.0 0.0 4.0 332 297 A 72 GLN H A 42 VAL HA 1.0 0.0 4.0 333 298 A 72 GLN H A 71 VAL HA 1.0 0.0 4.0 334 299 A 71 VAL HGx% A 72 GLN H 1.0 0.0 5.0 335 300 A 72 GLN H A 71 VAL HGy% 1.0 0.0 5.0 336 301 A 8 ARG H A 72 GLN HA 1.0 0.0 5.0 337 302 A 9 TRP HA A 72 GLN HA 1.0 0.0 3.0 338 303 A 72 GLN HBy A 40 GLY HAx 1.0 0.0 5.0 339 304 A 40 GLY HAx A 72 GLN HBx 1.0 0.0 5.0 340 305 A 7 LYS HA A 72 GLN HGy 1.0 0.0 5.0 341 306 A 72 GLN HGx A 9 TRP HZ2 1.0 0.0 5.0 342 307 A 72 GLN HE21 A 9 TRP HE1 1.0 0.0 5.0 343 308 A 9 TRP HE1 A 72 GLN HE22 1.0 0.0 5.0 344 309 A 71 VAL H A 70 LEU HA 1.0 0.0 4.0 345 310 A 71 VAL H A 11 VAL HA 1.0 0.0 4.0 346 311 A 42 VAL HA A 71 VAL HA 1.0 0.0 4.0 347 312 A 71 VAL HGx% A 39 PHE HD% 1.0 0.0 3.0 348 313 A 39 PHE HE% A 71 VAL HGx% 1.0 0.0 3.0 349 314 A 71 VAL HGx% A 42 VAL HA 1.0 0.0 5.0 350 315 A 71 VAL HGx% A 39 PHE HBx 1.0 0.0 5.0 351 316 A 71 VAL HGx% A 73 MET HGx 1.0 0.0 5.0 352 316 A 71 VAL HGx% A 73 MET HGy 1.0 0.0 5.0 353 317 A 71 VAL HGx% A 73 MET HBy 1.0 0.0 4.0 354 318 A 71 VAL HGy% A 42 VAL H 1.0 0.0 5.0 355 319 A 42 VAL HA A 71 VAL HGy% 1.0 0.0 3.0 356 320 A 43 MET H A 70 LEU H 1.0 0.0 4.0 357 321 A 70 LEU H A 44 VAL HA 1.0 0.0 5.0 358 322 A 70 LEU H A 69 VAL HA 1.0 0.0 4.0 359 323 A 70 LEU HA A 12 VAL H 1.0 0.0 4.0 360 324 A 70 LEU HA A 11 VAL HA 1.0 0.0 4.0 361 325 A 11 VAL HA A 70 LEU HDx% 1.0 0.0 5.0 362 326 A 108 VAL HGy% A 70 LEU HDx% 1.0 0.0 5.0 363 327 A 108 VAL HGx% A 70 LEU HDx% 1.0 0.0 5.0 364 328 A 70 LEU HDy% A 11 VAL HA 1.0 0.0 5.0 365 329 A 70 LEU HDy% A 43 MET HGx 1.0 0.0 5.0 366 330 A 70 LEU HDy% A 45 PRO HBy 1.0 0.0 5.0 367 331 A 70 LEU HDy% A 108 VAL HGy% 1.0 0.0 5.0 368 332 A 108 VAL HGx% A 70 LEU HDy% 1.0 0.0 5.0 369 333 A 12 VAL H A 69 VAL H 1.0 0.0 4.0 370 334 A 69 VAL H A 13 GLN HA 1.0 0.0 5.0 371 335 A 44 VAL HA A 69 VAL HA 1.0 0.0 5.0 372 336 A 69 VAL HGx% A 23 ALA H 1.0 0.0 5.0 373 337 A 69 VAL HGx% A 19 GLU HA 1.0 0.0 4.0 374 338 A 69 VAL HGx% A 19 GLU HGx 1.0 0.0 5.0 375 338 A 69 VAL HGx% A 19 GLU HGy 1.0 0.0 5.0 376 339 A 23 ALA H A 69 VAL HGy% 1.0 0.0 5.0 377 340 A 69 VAL HGy% A 19 GLU HGx 1.0 0.0 6.0 378 340 A 19 GLU HGy A 69 VAL HGy% 1.0 0.0 6.0 379 341 A 67 GLY H A 19 GLU H 1.0 0.0 5.0 380 342 A 65 PHE HD% A 64 PHE HBx 1.0 0.0 5.0 381 342 A 65 PHE HD% A 64 PHE HBy 1.0 0.0 5.0 382 343 A 65 PHE HD% A 45 PRO HGx 1.0 0.0 6.0 383 343 A 65 PHE HD% A 45 PRO HGy 1.0 0.0 6.0 384 344 A 65 PHE HD% A 111 ILE HG2% 1.0 0.0 5.0 385 345 A 115 LEU HA A 65 PHE HE% 1.0 0.0 5.0 386 346 A 65 PHE HE% A 111 ILE HA 1.0 0.0 5.0 387 347 A 65 PHE HE% A 114 ARG HGx 1.0 0.0 6.0 388 347 A 65 PHE HE% A 114 ARG HGy 1.0 0.0 6.0 389 348 A 65 PHE HE% A 111 ILE HG2% 1.0 0.0 5.0 390 349 A 115 LEU HA A 65 PHE HZ 1.0 0.0 5.0 391 350 A 111 ILE HA A 65 PHE HZ 1.0 0.0 5.0 392 351 A 65 PHE HZ A 114 ARG HDx 1.0 0.0 5.0 393 351 A 114 ARG HDy A 65 PHE HZ 1.0 0.0 5.0 394 352 A 111 ILE HB A 65 PHE HZ 1.0 0.0 5.0 395 353 A 65 PHE HZ A 111 ILE HG2% 1.0 0.0 5.0 396 354 A 64 PHE H A 63 LYS HA 1.0 0.0 4.0 397 355 A 64 PHE H A 115 LEU HDx% 1.0 0.0 6.0 398 355 A 115 LEU HDy% A 64 PHE H 1.0 0.0 6.0 399 356 A 64 PHE HA A 65 PHE H 1.0 0.0 4.0 400 357 A 115 LEU HG A 64 PHE HD% 1.0 0.0 5.0 401 358 A 64 PHE HD% A 115 LEU HDx% 1.0 0.0 6.0 402 358 A 115 LEU HDy% A 64 PHE HD% 1.0 0.0 6.0 403 359 A 63 LYS HA A 62 ARG H 1.0 0.0 5.0 404 360 A 62 ARG H A 61 GLU HA 1.0 0.0 4.0 405 361 A 62 ARG HBy A 115 LEU HDx% 1.0 0.0 6.0 406 361 A 62 ARG HBx A 115 LEU HDx% 1.0 0.0 6.0 407 361 A 115 LEU HDy% A 62 ARG HBx 1.0 0.0 6.0 408 361 A 115 LEU HDy% A 62 ARG HBy 1.0 0.0 6.0 409 362 A 61 GLU H A 60 SER HA 1.0 0.0 5.0 410 363 A 62 ARG H A 61 GLU HGy 1.0 0.0 5.0 411 364 A 62 ARG H A 61 GLU HGx 1.0 0.0 5.0 412 365 A 61 GLU HGx A 59 LYS HGx 1.0 0.0 5.0 413 366 A 60 SER H A 59 LYS HA 1.0 0.0 4.0 414 367 A 53 ARG H A 52 ILE H 1.0 0.0 4.0 415 368 A 52 ILE H A 51 GLU HA 1.0 0.0 4.0 416 369 A 51 GLU H A 50 VAL HA 1.0 0.0 4.0 417 370 A 51 GLU H A 50 VAL HB 1.0 0.0 4.0 418 371 A 51 GLU H A 50 VAL HGx% 1.0 0.0 5.0 419 371 A 51 GLU H A 50 VAL HG21 1.0 0.0 5.0 420 372 A 52 ILE H A 51 GLU HGy 1.0 0.0 4.0 421 373 A 52 ILE H A 51 GLU HGx 1.0 0.0 4.0 422 374 A 50 VAL H A 49 VAL HGx% 1.0 0.0 4.0 423 374 A 49 VAL HG21 A 50 VAL H 1.0 0.0 4.0 424 375 A 46 THR HA A 115 LEU HDx% 1.0 0.0 4.0 425 376 A 115 LEU HDy% A 46 THR HA 1.0 0.0 4.0 426 377 A 46 THR HG2% A 47 GLU H 1.0 0.0 5.0 427 378 A 46 THR HG2% A 45 PRO HA 1.0 0.0 5.0 428 379 A 46 THR HG2% A 44 VAL HB 1.0 0.0 5.0 429 380 A 45 PRO HA A 46 THR H 1.0 0.0 4.0 430 381 A 45 PRO HA A 112 MET HGx 1.0 0.0 6.0 431 381 A 45 PRO HA A 112 MET HGy 1.0 0.0 6.0 432 382 A 45 PRO HA A 115 LEU HDx% 1.0 0.0 5.0 433 383 A 45 PRO HBy A 70 LEU HDx% 1.0 0.0 5.0 434 383 A 70 LEU HDy% A 45 PRO HBy 1.0 0.0 5.0 435 384 A 45 PRO HBx A 70 LEU HDx% 1.0 0.0 6.0 436 384 A 70 LEU HDy% A 45 PRO HBx 1.0 0.0 6.0 437 385 A 46 THR H A 44 VAL HGx% 1.0 0.0 5.0 438 386 A 19 GLU HA A 44 VAL HGx% 1.0 0.0 6.0 439 387 A 44 VAL HGx% A 19 GLU HGx 1.0 0.0 6.0 440 387 A 19 GLU HGy A 44 VAL HGx% 1.0 0.0 6.0 441 388 A 46 THR H A 44 VAL HGy% 1.0 0.0 5.0 442 389 A 44 VAL HGy% A 19 GLU HGx 1.0 0.0 6.0 443 389 A 19 GLU HGy A 44 VAL HGy% 1.0 0.0 6.0 444 390 A 44 VAL HGy% A 23 ALA HB% 1.0 0.0 4.0 445 391 A 43 MET H A 42 VAL HA 1.0 0.0 4.0 446 392 A 43 MET H A 71 VAL HA 1.0 0.0 4.0 447 393 A 43 MET H A 70 LEU HBx 1.0 0.0 5.0 448 394 A 43 MET H A 69 VAL HGy% 1.0 0.0 5.0 449 395 A 43 MET HA A 44 VAL H 1.0 0.0 4.0 450 396 A 70 LEU HBx A 43 MET HBy 1.0 0.0 5.0 451 397 A 70 LEU HBx A 43 MET HBx 1.0 0.0 5.0 452 398 A 42 VAL H A 41 GLU HA 1.0 0.0 4.0 453 399 A 42 VAL HA A 71 VAL HB 1.0 0.0 5.0 454 400 A 23 ALA HA A 42 VAL HGx% 1.0 0.0 5.0 455 400 A 42 VAL HGy% A 23 ALA HA 1.0 0.0 5.0 456 401 A 27 ARG HGx A 42 VAL HGx% 1.0 0.0 6.0 457 401 A 42 VAL HGy% A 27 ARG HGx 1.0 0.0 6.0 458 402 A 23 ALA HB% A 42 VAL HGx% 1.0 0.0 5.0 459 402 A 23 ALA HB% A 42 VAL HGy% 1.0 0.0 5.0 460 403 A 41 GLU H A 39 PHE HA 1.0 0.0 5.0 461 404 A 41 GLU H A 40 GLY HAy 1.0 0.0 4.0 462 405 A 41 GLU H A 40 GLY HAx 1.0 0.0 4.0 463 406 A 41 GLU H A 72 GLN HBy 1.0 0.0 5.0 464 407 A 41 GLU H A 72 GLN HGx 1.0 0.0 5.0 465 408 A 41 GLU H A 72 GLN HBx 1.0 0.0 5.0 466 409 A 9 TRP HZ2 A 41 GLU HBy 1.0 0.0 5.0 467 410 A 72 GLN HE21 A 41 GLU HBy 1.0 0.0 6.0 468 410 A 72 GLN HE22 A 41 GLU HBy 1.0 0.0 6.0 469 411 A 9 TRP HZ2 A 41 GLU HBx 1.0 0.0 5.0 470 412 A 72 GLN HE21 A 41 GLU HBx 1.0 0.0 6.0 471 412 A 72 GLN HE22 A 41 GLU HBx 1.0 0.0 6.0 472 413 A 39 PHE HA A 40 GLY H 1.0 0.0 3.0 473 414 A 40 GLY H A 73 MET HGx 1.0 0.0 6.0 474 414 A 73 MET HGy A 40 GLY H 1.0 0.0 6.0 475 415 A 73 MET HBy A 40 GLY H 1.0 0.0 5.0 476 416 A 72 GLN HBy A 40 GLY H 1.0 0.0 5.0 477 417 A 73 MET HBx A 40 GLY H 1.0 0.0 5.0 478 418 A 72 GLN HGy A 40 GLY H 1.0 0.0 5.0 479 419 A 72 GLN HBx A 40 GLY H 1.0 0.0 5.0 480 420 A 40 GLY H A 39 PHE HBy 1.0 0.0 3.5 481 421 A 72 GLN HBy A 40 GLY HAy 1.0 0.0 5.0 482 422 A 39 PHE H A 37 ASP H 1.0 0.0 5.0 483 423 A 39 PHE H A 38 LEU H 1.0 0.0 4.0 484 424 A 39 PHE H A 37 ASP HA 1.0 0.0 5.0 485 425 A 39 PHE H A 36 GLU HA 1.0 0.0 5.0 486 426 A 39 PHE H A 30 ILE HG2% 1.0 0.0 5.0 487 427 A 73 MET HBx A 39 PHE HA 1.0 0.0 5.0 488 428 A 39 PHE HBy A 30 ILE HG2% 1.0 0.0 5.0 489 429 A 39 PHE HBy A 30 ILE HD1% 1.0 0.0 5.0 490 430 A 39 PHE HD% A 36 GLU HA 1.0 0.0 5.0 491 431 A 39 PHE HD% A 73 MET HBy 1.0 0.0 5.0 492 432 A 39 PHE HD% A 35 MET HBx 1.0 0.0 5.0 493 433 A 71 VAL HGy% A 39 PHE HD% 1.0 0.0 5.0 494 434 A 39 PHE HD% A 30 ILE HG2% 1.0 0.0 5.0 495 435 A 39 PHE HD% A 30 ILE HD1% 1.0 0.0 5.0 496 436 A 39 PHE HD% A 30 ILE HG1x 1.0 0.0 5.0 497 437 A 39 PHE HE% A 36 GLU HA 1.0 0.0 6.0 498 438 A 39 PHE HE% A 30 ILE HA 1.0 0.0 5.0 499 439 A 35 MET HE% A 39 PHE HE% 1.0 0.0 5.0 500 440 A 39 PHE HE% A 30 ILE HG2% 1.0 0.0 5.0 501 441 A 39 PHE HE% A 30 ILE HD1% 1.0 0.0 5.0 502 442 A 37 ASP H A 38 LEU H 1.0 0.0 4.0 503 443 A 38 LEU H A 35 MET HA 1.0 0.0 5.0 504 444 A 38 LEU H A 36 GLU HA 1.0 0.0 5.0 505 445 A 38 LEU H A 37 ASP HBy 1.0 0.0 5.0 506 446 A 38 LEU H A 37 ASP HBx 1.0 0.0 5.0 507 447 A 38 LEU HDy% A 35 MET HGy 1.0 0.0 5.0 508 447 A 35 MET HGx A 38 LEU HDy% 1.0 0.0 5.0 509 448 A 37 ASP H A 36 GLU H 1.0 0.0 4.0 510 449 A 37 ASP H A 35 MET H 1.0 0.0 5.0 511 450 A 37 ASP H A 35 MET HA 1.0 0.0 5.0 512 451 A 37 ASP H A 30 ILE HG2% 1.0 0.0 5.0 513 452 A 36 GLU H A 35 MET H 1.0 0.0 4.0 514 453 A 36 GLU H A 34 ASN H 1.0 0.0 5.0 515 454 A 38 LEU H A 36 GLU H 1.0 0.0 5.0 516 455 A 35 MET HA A 36 GLU H 1.0 0.0 5.0 517 456 A 36 GLU H A 31 LYS HA 1.0 0.0 5.0 518 457 A 30 ILE HG2% A 36 GLU H 1.0 0.0 5.0 519 458 A 39 PHE HBy A 36 GLU HA 1.0 0.0 5.0 520 459 A 39 PHE HBx A 36 GLU HA 1.0 0.0 5.0 521 460 A 36 GLU HA A 30 ILE HG2% 1.0 0.0 3.0 522 461 A 36 GLU HA A 30 ILE HD1% 1.0 0.0 5.0 523 462 A 31 LYS HA A 36 GLU HGy 1.0 0.0 5.0 524 463 A 30 ILE HG2% A 36 GLU HGy 1.0 0.0 4.0 525 464 A 31 LYS HA A 36 GLU HGx 1.0 0.0 5.0 526 465 A 30 ILE HG2% A 36 GLU HGx 1.0 0.0 4.0 527 466 A 35 MET H A 34 ASN H 1.0 0.0 4.0 528 467 A 35 MET H A 33 HIS H 1.0 0.0 5.0 529 468 A 35 MET H A 31 LYS HA 1.0 0.0 5.0 530 469 A 82 LEU HDy% A 35 MET H 1.0 0.0 5.0 531 470 A 79 SER HA A 35 MET HBy 1.0 0.0 5.0 532 471 A 79 SER HA A 35 MET HBx 1.0 0.0 5.0 533 472 A 38 LEU HDy% A 35 MET HGy 1.0 0.0 5.0 534 473 A 82 LEU HDy% A 35 MET HGy 1.0 0.0 5.0 535 474 A 35 MET HGx A 38 LEU HDy% 1.0 0.0 5.0 536 475 A 82 LEU HDy% A 35 MET HGx 1.0 0.0 5.0 537 476 A 79 SER HA A 35 MET HE% 1.0 0.0 4.0 538 477 A 79 SER HBy A 35 MET HE% 1.0 0.0 5.0 539 478 A 33 HIS HBy A 35 MET HE% 1.0 0.0 4.0 540 479 A 33 HIS HBx A 35 MET HE% 1.0 0.0 4.0 541 480 A 35 MET HE% A 38 LEU HDy% 1.0 0.0 4.0 542 481 A 34 ASN H A 33 HIS H 1.0 0.0 4.0 543 482 A 34 ASN H A 31 LYS H 1.0 0.0 5.0 544 483 A 34 ASN H A 31 LYS HA 1.0 0.0 4.0 545 484 A 34 ASN H A 32 LEU HA 1.0 0.0 5.0 546 485 A 34 ASN H A 32 LEU HBy 1.0 0.0 5.0 547 486 A 34 ASN H A 32 LEU HBx 1.0 0.0 5.0 548 487 A 82 LEU HDy% A 34 ASN H 1.0 0.0 6.0 549 488 A 36 GLU H A 34 ASN HA 1.0 0.0 5.0 550 489 A 31 LYS HA A 34 ASN HA 1.0 0.0 5.0 551 490 A 33 HIS H A 32 LEU H 1.0 0.0 4.0 552 491 A 33 HIS H A 29 HIS HA 1.0 0.0 5.0 553 492 A 30 ILE HA A 33 HIS H 1.0 0.0 5.0 554 493 A 33 HIS H A 32 LEU HBx 1.0 0.0 5.0 555 494 A 33 HIS HD2 A 29 HIS HA 1.0 0.0 3.0 556 495 A 33 HIS HD2 A 29 HIS HBy 1.0 0.0 5.0 557 496 A 29 HIS HBx A 33 HIS HD2 1.0 0.0 5.0 558 497 A 29 HIS H A 32 LEU H 1.0 0.0 5.0 559 498 A 34 ASN H A 32 LEU H 1.0 0.0 5.0 560 499 A 31 LYS H A 32 LEU H 1.0 0.0 4.0 561 500 A 32 LEU H A 29 HIS HA 1.0 0.0 5.0 562 501 A 29 HIS HBy A 32 LEU H 1.0 0.0 6.0 563 502 A 29 HIS HBx A 32 LEU H 1.0 0.0 6.0 564 503 A 32 LEU HBy A 29 HIS HA 1.0 0.0 5.0 565 504 A 32 LEU HBx A 29 HIS HA 1.0 0.0 5.0 566 505 A 29 HIS H A 31 LYS H 1.0 0.0 5.0 567 506 A 31 LYS H A 28 GLU HA 1.0 0.0 5.0 568 507 A 31 LYS H A 27 ARG HA 1.0 0.0 5.0 569 508 A 31 LYS HA A 36 GLU HBx 1.0 0.0 5.0 570 508 A 31 LYS HA A 36 GLU HBy 1.0 0.0 5.0 571 509 A 29 HIS H A 30 ILE H 1.0 0.0 5.0 572 510 A 30 ILE H A 28 GLU H 1.0 0.0 5.0 573 511 A 30 ILE H A 31 LYS H 1.0 0.0 4.0 574 512 A 30 ILE H A 29 HIS HA 1.0 0.0 5.0 575 513 A 30 ILE H A 27 ARG HA 1.0 0.0 4.0 576 514 A 27 ARG HA A 30 ILE HB 1.0 0.0 5.0 577 515 A 30 ILE HD1% A 27 ARG HA 1.0 0.0 4.0 578 516 A 30 ILE HD1% A 82 LEU HG 1.0 0.0 5.0 579 517 A 30 ILE HD1% A 42 VAL HGx% 1.0 0.0 5.0 580 518 A 30 ILE HG2% A 27 ARG HA 1.0 0.0 4.0 581 519 A 30 ILE HG2% A 35 MET HGy 1.0 0.0 6.0 582 519 A 35 MET HGx A 30 ILE HG2% 1.0 0.0 6.0 583 520 A 29 HIS H A 28 GLU H 1.0 0.0 4.0 584 521 A 25 SER HA A 29 HIS H 1.0 0.0 5.0 585 522 A 29 HIS H A 26 LEU HA 1.0 0.0 5.0 586 523 A 29 HIS HBy A 26 LEU HA 1.0 0.0 5.0 587 524 A 29 HIS HBx A 26 LEU HA 1.0 0.0 5.0 588 525 A 25 SER HA A 29 HIS HD2 1.0 0.0 5.0 589 526 A 26 LEU HA A 29 HIS HD2 1.0 0.0 5.0 590 527 A 82 LEU HG A 29 HIS HD2 1.0 0.0 5.0 591 528 A 82 LEU HDy% A 29 HIS HD2 1.0 0.0 5.0 592 529 A 86 VAL HGy% A 29 HIS HD2 1.0 0.0 4.0 593 530 A 26 LEU H A 28 GLU H 1.0 0.0 5.0 594 531 A 27 ARG H A 28 GLU H 1.0 0.0 4.0 595 532 A 31 LYS H A 28 GLU H 1.0 0.0 5.0 596 533 A 25 SER HA A 28 GLU H 1.0 0.0 4.0 597 534 A 27 ARG HA A 28 GLU H 1.0 0.0 4.0 598 535 A 28 GLU HA A 27 ARG HGy 1.0 0.0 5.0 599 536 A 25 SER HA A 28 GLU HBy 1.0 0.0 5.0 600 537 A 25 SER HA A 28 GLU HBx 1.0 0.0 5.0 601 538 A 25 SER HA A 28 GLU HGy 1.0 0.0 6.0 602 539 A 28 GLU HGy A 32 LEU HG 1.0 0.0 5.0 603 540 A 25 SER HA A 28 GLU HGx 1.0 0.0 5.0 604 541 A 26 LEU H A 27 ARG H 1.0 0.0 4.0 605 542 A 29 HIS H A 27 ARG H 1.0 0.0 5.0 606 543 A 25 SER H A 27 ARG H 1.0 0.0 5.0 607 544 A 27 ARG H A 24 THR HA 1.0 0.0 5.0 608 545 A 27 ARG H A 23 ALA HB% 1.0 0.0 5.0 609 546 A 27 ARG H A 26 LEU HDy% 1.0 0.0 5.0 610 547 A 27 ARG H A 30 ILE HD1% 1.0 0.0 5.0 611 548 A 25 SER H A 26 LEU H 1.0 0.0 4.0 612 549 A 25 SER H A 24 THR H 1.0 0.0 4.0 613 550 A 25 SER H A 24 THR HB 1.0 0.0 4.0 614 551 A 25 SER H A 22 VAL HA 1.0 0.0 5.0 615 552 A 25 SER H A 24 THR HG2% 1.0 0.0 5.0 616 553 A 22 VAL HA A 25 SER HBy 1.0 0.0 5.0 617 554 A 86 VAL HGx% A 25 SER HBy 1.0 0.0 4.0 618 555 A 25 SER HBx A 22 VAL HA 1.0 0.0 5.0 619 556 A 26 LEU H A 24 THR H 1.0 0.0 5.0 620 557 A 24 THR H A 22 VAL H 1.0 0.0 5.0 621 558 A 23 ALA H A 24 THR H 1.0 0.0 4.0 622 559 A 24 THR H A 21 ARG HA 1.0 0.0 5.0 623 560 A 24 THR H A 21 ARG HBy 1.0 0.0 6.0 624 560 A 24 THR H A 21 ARG HBx 1.0 0.0 6.0 625 561 A 24 THR H A 21 ARG HGy 1.0 0.0 5.0 626 562 A 24 THR H A 21 ARG HGx 1.0 0.0 5.0 627 563 A 23 ALA HB% A 24 THR H 1.0 0.0 4.0 628 564 A 24 THR HA A 27 ARG HBy 1.0 0.0 5.0 629 565 A 24 THR HA A 27 ARG HBx 1.0 0.0 5.0 630 566 A 28 GLU HGy A 24 THR HG2% 1.0 0.0 5.0 631 567 A 23 ALA H A 21 ARG HA 1.0 0.0 5.0 632 568 A 26 LEU H A 23 ALA HA 1.0 0.0 5.0 633 569 A 23 ALA HA A 26 LEU HBx 1.0 0.0 5.0 634 570 A 42 VAL HGy% A 23 ALA HA 1.0 0.0 5.0 635 571 A 69 VAL HGy% A 23 ALA HA 1.0 0.0 5.0 636 572 A 22 VAL H A 20 GLY H 1.0 0.0 5.0 637 573 A 23 ALA H A 22 VAL H 1.0 0.0 4.0 638 574 A 22 VAL H A 21 ARG H 1.0 0.0 4.0 639 575 A 22 VAL H A 20 GLY HAy 1.0 0.0 5.0 640 576 A 22 VAL H A 20 GLY HAx 1.0 0.0 5.0 641 577 A 19 GLU HA A 22 VAL H 1.0 0.0 5.0 642 578 A 22 VAL H A 14 ALA HB% 1.0 0.0 5.0 643 579 A 22 VAL H A 88 ARG HBx 1.0 0.0 5.0 644 580 A 26 LEU H A 22 VAL HA 1.0 0.0 5.0 645 581 A 86 VAL HGx% A 22 VAL HA 1.0 0.0 5.0 646 582 A 19 GLU HA A 22 VAL HB 1.0 0.0 5.0 647 583 A 89 VAL H A 22 VAL HGy% 1.0 0.0 5.0 648 584 A 14 ALA HA A 22 VAL HGy% 1.0 0.0 5.0 649 585 A 89 VAL HA A 22 VAL HGy% 1.0 0.0 5.0 650 586 A 22 VAL HGy% A 86 VAL HGx% 1.0 0.0 5.0 651 587 A 22 VAL HGx% A 69 VAL HB 1.0 0.0 5.0 652 588 A 14 ALA HB% A 22 VAL HGx% 1.0 0.0 5.0 653 589 A 20 GLY H A 21 ARG H 1.0 0.0 4.0 654 590 A 23 ALA H A 21 ARG H 1.0 0.0 5.0 655 591 A 21 ARG H A 18 PHE HA 1.0 0.0 5.0 656 592 A 21 ARG H A 20 GLY HAy 1.0 0.0 5.0 657 593 A 21 ARG H A 20 GLY HAx 1.0 0.0 5.0 658 594 A 25 SER H A 21 ARG HA 1.0 0.0 5.0 659 595 A 24 THR HG2% A 21 ARG HA 1.0 0.0 5.0 660 596 A 18 PHE HA A 21 ARG HBy 1.0 0.0 5.0 661 597 A 21 ARG HBx A 18 PHE HA 1.0 0.0 5.0 662 598 A 20 GLY H A 19 GLU HBx 1.0 0.0 4.0 663 598 A 20 GLY H A 19 GLU HBy 1.0 0.0 4.0 664 599 A 44 VAL HGy% A 20 GLY H 1.0 0.0 5.0 665 600 A 23 ALA H A 20 GLY HAy 1.0 0.0 5.0 666 601 A 23 ALA HB% A 20 GLY HAy 1.0 0.0 5.0 667 602 A 44 VAL HGy% A 20 GLY HAy 1.0 0.0 4.0 668 603 A 23 ALA H A 20 GLY HAx 1.0 0.0 5.0 669 604 A 23 ALA HB% A 20 GLY HAx 1.0 0.0 5.0 670 605 A 44 VAL HGy% A 20 GLY HAx 1.0 0.0 4.0 671 606 A 22 VAL HGy% A 19 GLU HA 1.0 0.0 5.0 672 607 A 46 THR HG2% A 19 GLU HGx 1.0 0.0 5.0 673 607 A 19 GLU HGy A 46 THR HG2% 1.0 0.0 5.0 674 608 A 19 GLU H A 18 PHE H 1.0 0.0 4.0 675 609 A 18 PHE H A 17 GLY H 1.0 0.0 4.0 676 610 A 18 PHE H A 17 GLY HAy 1.0 0.0 5.0 677 611 A 18 PHE H A 16 SER HBx 1.0 0.0 6.0 678 611 A 18 PHE H A 16 SER HBy 1.0 0.0 6.0 679 612 A 18 PHE H A 15 PHE HBy 1.0 0.0 5.0 680 613 A 18 PHE H A 15 PHE HBx 1.0 0.0 5.0 681 614 A 14 ALA HB% A 18 PHE H 1.0 0.0 5.0 682 615 A 15 PHE HBy A 18 PHE HD% 1.0 0.0 4.0 683 616 A 15 PHE HBx A 18 PHE HD% 1.0 0.0 4.0 684 617 A 18 PHE HD% A 88 ARG HBy 1.0 0.0 6.0 685 617 A 18 PHE HD% A 88 ARG HBx 1.0 0.0 6.0 686 618 A 15 PHE HBy A 18 PHE HEx 1.0 0.0 5.0 687 619 A 15 PHE HBx A 18 PHE HEx 1.0 0.0 5.0 688 620 A 18 PHE HEx A 88 ARG HDy 1.0 0.0 5.0 689 620 A 18 PHE HEx A 88 ARG HDx 1.0 0.0 5.0 690 621 A 19 GLU H A 17 GLY H 1.0 0.0 4.0 691 622 A 17 GLY H A 16 SER HA 1.0 0.0 3.0 692 623 A 16 SER H A 15 PHE HA 1.0 0.0 4.0 693 624 A 15 PHE H A 14 ALA HA 1.0 0.0 4.0 694 625 A 15 PHE H A 89 VAL HA 1.0 0.0 5.0 695 626 A 15 PHE H A 18 PHE HBy 1.0 0.0 5.0 696 627 A 15 PHE H A 88 ARG HA 1.0 0.0 5.0 697 628 A 15 PHE H A 14 ALA HB% 1.0 0.0 4.0 698 629 A 15 PHE HBx A 88 ARG HDy 1.0 0.0 5.0 699 630 A 15 PHE HBx A 88 ARG HGx 1.0 0.0 6.0 700 630 A 15 PHE HBx A 88 ARG HGy 1.0 0.0 6.0 701 631 A 90 MET H A 14 ALA HA 1.0 0.0 4.0 702 632 A 14 ALA HA A 90 MET HGy 1.0 0.0 6.0 703 632 A 14 ALA HA A 90 MET HGx 1.0 0.0 6.0 704 633 A 19 GLU HA A 14 ALA HB% 1.0 0.0 4.0 705 634 A 14 ALA HB% A 69 VAL HB 1.0 0.0 5.0 706 635 A 91 GLY H A 13 GLN H 1.0 0.0 5.0 707 636 A 92 PHE HA A 13 GLN H 1.0 0.0 4.0 708 637 A 12 VAL HA A 13 GLN H 1.0 0.0 4.0 709 638 A 13 GLN HA A 68 TYR HA 1.0 0.0 4.0 710 639 A 11 VAL HA A 12 VAL H 1.0 0.0 4.0 711 640 A 92 PHE HA A 12 VAL HA 1.0 0.0 3.0 712 641 A 92 PHE HD% A 12 VAL HGx% 1.0 0.0 5.0 713 642 A 92 PHE HA A 12 VAL HGx% 1.0 0.0 5.0 714 643 A 83 VAL HGy% A 12 VAL HGx% 1.0 0.0 5.0 715 644 A 71 VAL HGy% A 12 VAL HGx% 1.0 0.0 4.0 716 645 A 92 PHE HA A 12 VAL HGy% 1.0 0.0 5.0 717 646 A 83 VAL HGy% A 12 VAL HGy% 1.0 0.0 5.0 718 647 A 93 ILE H A 11 VAL H 1.0 0.0 5.0 719 648 A 11 VAL H A 93 ILE HB 1.0 0.0 5.0 720 649 A 11 VAL HA A 69 VAL H 1.0 0.0 5.0 721 650 A 11 VAL HA A 70 LEU HG 1.0 0.0 5.0 722 651 A 93 ILE HB A 11 VAL HB 1.0 0.0 4.0 723 652 A 93 ILE H A 11 VAL HGx% 1.0 0.0 5.0 724 653 A 11 VAL HGy% A 93 ILE HB 1.0 0.0 5.0 725 654 A 11 VAL HGy% A 93 ILE HG1y 1.0 0.0 5.0 726 655 A 11 VAL HGy% A 93 ILE HG1x 1.0 0.0 5.0 727 656 A 73 MET H A 10 TYR H 1.0 0.0 5.0 728 657 A 71 VAL H A 10 TYR H 1.0 0.0 5.0 729 658 A 72 GLN HA A 10 TYR H 1.0 0.0 5.0 730 659 A 73 MET HBy A 10 TYR H 1.0 0.0 5.0 731 660 A 70 LEU HBx A 10 TYR H 1.0 0.0 5.0 732 661 A 71 VAL HGx% A 10 TYR H 1.0 0.0 5.0 733 662 A 72 GLN HGx A 10 TYR H 1.0 0.0 5.0 734 663 A 92 PHE HD% A 10 TYR HBy 1.0 0.0 5.0 735 664 A 92 PHE HD% A 10 TYR HBx 1.0 0.0 5.0 736 665 A 102 PRO HDy A 10 TYR HD% 1.0 0.0 6.0 737 666 A 10 TYR HD% A 73 MET HGx 1.0 0.0 6.0 738 666 A 73 MET HGy A 10 TYR HD% 1.0 0.0 6.0 739 667 A 10 TYR HD% A 100 PRO HBy 1.0 0.0 5.0 740 668 A 100 PRO HBx A 10 TYR HD% 1.0 0.0 5.0 741 669 A 103 ILE HG1x A 9 TRP H 1.0 0.0 5.0 742 670 A 103 ILE HD1% A 9 TRP H 1.0 0.0 5.0 743 671 A 9 TRP HA A 10 TYR H 1.0 0.0 4.0 744 672 A 9 TRP HBy A 103 ILE HG2% 1.0 0.0 5.0 745 673 A 108 VAL HGy% A 9 TRP HBy 1.0 0.0 5.0 746 674 A 9 TRP HBx A 103 ILE HG2% 1.0 0.0 5.0 747 675 A 108 VAL HGy% A 9 TRP HBx 1.0 0.0 5.0 748 676 A 108 VAL HB A 9 TRP HD1 1.0 0.0 5.0 749 677 A 103 ILE HD1% A 9 TRP HD1 1.0 0.0 5.0 750 678 A 108 VAL HGy% A 9 TRP HD1 1.0 0.0 4.0 751 679 A 108 VAL HGx% A 9 TRP HD1 1.0 0.0 5.0 752 680 A 9 TRP HZ2 A 43 MET HGx 1.0 0.0 5.0 753 681 A 108 VAL HGx% A 9 TRP HZ2 1.0 0.0 5.0 754 682 A 72 GLN H A 9 TRP HH2 1.0 0.0 5.0 755 683 A 9 TRP HH2 A 43 MET HGy 1.0 0.0 3.0 756 683 A 9 TRP HH2 A 43 MET HGx 1.0 0.0 3.0 757 684 A 9 TRP HH2 A 41 GLU HGx 1.0 0.0 5.0 758 685 A 41 GLU HBy A 9 TRP HH2 1.0 0.0 4.0 759 686 A 41 GLU HBx A 9 TRP HH2 1.0 0.0 4.0 760 687 A 108 VAL HGx% A 9 TRP HH2 1.0 0.0 5.0 761 688 A 43 MET H A 9 TRP HZ3 1.0 0.0 5.0 762 689 A 71 VAL H A 9 TRP HZ3 1.0 0.0 5.0 763 690 A 72 GLN H A 9 TRP HZ3 1.0 0.0 5.0 764 691 A 42 VAL HA A 9 TRP HZ3 1.0 0.0 5.0 765 692 A 71 VAL HA A 9 TRP HZ3 1.0 0.0 5.0 766 693 A 43 MET HGx A 9 TRP HZ3 1.0 0.0 4.0 767 694 A 9 TRP HZ3 A 43 MET HBy 1.0 0.0 5.0 768 695 A 9 TRP HZ3 A 43 MET HBx 1.0 0.0 5.0 769 696 A 9 TRP HZ3 A 70 LEU HBy 1.0 0.0 4.0 770 697 A 70 LEU HBx A 9 TRP HZ3 1.0 0.0 4.0 771 698 A 71 VAL HGy% A 9 TRP HZ3 1.0 0.0 5.0 772 699 A 9 TRP HZ3 A 70 LEU HDx% 1.0 0.0 5.0 773 700 A 71 VAL H A 9 TRP HE3 1.0 0.0 4.0 774 701 A 10 TYR H A 9 TRP HE3 1.0 0.0 4.0 775 702 A 9 TRP HE3 A 43 MET HGy 1.0 0.0 5.0 776 702 A 43 MET HGx A 9 TRP HE3 1.0 0.0 5.0 777 703 A 71 VAL HGx% A 9 TRP HE3 1.0 0.0 5.0 778 704 A 9 TRP HE3 A 70 LEU HDx% 1.0 0.0 5.0 779 705 A 103 ILE HD1% A 9 TRP HE3 1.0 0.0 5.0 780 706 A 70 LEU HBy A 9 TRP HE3 1.0 0.0 4.0 781 707 A 70 LEU HBx A 9 TRP HE3 1.0 0.0 3.0 782 708 A 70 LEU HA A 9 TRP HE3 1.0 0.0 5.0 783 709 A 72 GLN HA A 9 TRP HE3 1.0 0.0 5.0 784 710 A 72 GLN H A 9 TRP HE3 1.0 0.0 5.0 785 711 A 105 ASP HA A 9 TRP HE1 1.0 0.0 5.0 786 712 A 9 TRP HBy A 9 TRP HE1 1.0 0.0 5.0 787 713 A 9 TRP HH2 A 43 MET HGy 1.0 0.0 4.0 788 713 A 9 TRP HH2 A 43 MET HGx 1.0 0.0 4.0 789 714 A 8 ARG H A 10 TYR HE% 1.0 0.0 5.0 790 715 A 8 ARG H A 7 LYS HA 1.0 0.0 4.0 791 716 A 8 ARG H A 72 GLN HGy 1.0 0.0 5.0 792 717 A 73 MET H A 8 ARG HA 1.0 0.0 5.0 793 718 A 7 LYS H A 6 LYS HA 1.0 0.0 3.0 794 719 A 7 LYS HA A 72 GLN HGy 1.0 0.0 4.0 795 720 A 72 GLN HGy A 7 LYS HBx 1.0 0.0 5.0 796 721 A 5 PRO HA A 6 LYS H 1.0 0.0 4.0 797 722 A 5 PRO HDy A 4 ALA HA 1.0 0.0 4.0 798 723 A 4 ALA HA A 5 PRO HDx 1.0 0.0 4.0 799 724 A 4 ALA H A 3 GLU HA 1.0 0.0 4.0 800 725 A 5 PRO HDy A 4 ALA HB1 1.0 0.0 5.0 801 726 A 5 PRO HDx A 4 ALA HB1 1.0 0.0 5.0 802 727 A 80 TRP HD1 A 75 MET HE% 1.0 0.0 4.0 803 728 A 92 PHE HE% A 80 TRP HD1 1.0 0.0 5.0 804 729 A 92 PHE HD% A 80 TRP HD1 1.0 0.0 4.0 805 730 A 39 PHE HE% A 35 MET HGy 1.0 0.0 3.0 806 730 A 35 MET HGx A 39 PHE HE% 1.0 0.0 3.0 807 731 A 79 SER HBx A 39 PHE HE% 1.0 0.0 5.0 808 732 A 79 SER HBy A 39 PHE HE% 1.0 0.0 4.0 809 733 A 11 VAL HGx% A 68 TYR HD% 1.0 0.0 3.0 810 734 A 68 TYR HE% A 11 VAL HGx% 1.0 0.0 4.0 811 735 A 11 VAL H A 10 TYR HA 1.0 0.0 3.0 812 736 A 15 PHE H A 15 PHE HBx 1.0 0.0 3.0 813 737 A 15 PHE H A 14 ALA HA 1.0 0.0 3.0 814 738 A 15 PHE H A 89 VAL HA 1.0 0.0 4.0 815 739 A 15 PHE H A 19 GLU HA 1.0 0.0 5.0 816 740 A 16 SER H A 15 PHE HA 1.0 0.0 3.0 817 741 A 19 GLU H A 18 PHE H 1.0 0.0 3.0 818 742 A 18 PHE H A 17 GLY H 1.0 0.0 3.0 819 743 A 19 GLU H A 20 GLY H 1.0 0.0 4.0 820 744 A 43 MET HA A 44 VAL H 1.0 0.0 3.0 821 745 A 68 TYR H A 67 GLY HAx 1.0 0.0 4.0 822 745 A 68 TYR H A 67 GLY HAy 1.0 0.0 4.0 823 746 A 74 VAL H A 73 MET HA 1.0 0.0 3.0 824 747 A 75 MET H A 74 VAL HA 1.0 0.0 3.0 825 748 A 76 ASN H A 75 MET HA 1.0 0.0 3.0 826 749 A 100 PRO HDy A 75 MET HE% 1.0 0.0 5.0 827 750 A 100 PRO HDx A 75 MET HE% 1.0 0.0 5.0 828 751 A 10 TYR HD% A 75 MET HE% 1.0 0.0 5.0 829 752 A 10 TYR HE% A 75 MET HE% 1.0 0.0 5.0 830 753 A 92 PHE HD% A 75 MET HE% 1.0 0.0 5.0 831 754 A 79 SER H A 78 ALA H 1.0 0.0 3.0 832 755 A 88 ARG H A 87 PRO HA 1.0 0.0 3.0 833 756 A 89 VAL H A 88 ARG H 1.0 0.0 3.0 834 757 A 92 PHE H A 91 GLY HAy 1.0 0.0 3.0 835 758 A 92 PHE H A 91 GLY HAx 1.0 0.0 3.0 836 759 A 94 GLY H A 93 ILE HG2% 1.0 0.0 3.0 837 760 A 94 GLY H A 93 ILE HA 1.0 0.0 3.0 838 761 A 99 ARG H A 98 ASP H 1.0 0.0 3.0 839 762 A 39 PHE HBx A 39 PHE H 1.0 0.0 3.0 840 763 A 11 VAL H A 11 VAL HB 1.0 0.0 3.0 841 764 A 103 ILE H A 102 PRO HA 1.0 0.0 2.7 842 765 A 103 ILE H A 103 ILE HG2% 1.0 0.0 3.0 843 766 A 101 ALA HB% A 95 GLY H 1.0 0.0 5.0 844 767 A 101 ALA HB% A 95 GLY HAy 1.0 0.0 4.0 845 768 A 101 ALA HB% A 95 GLY HAx 1.0 0.0 4.0 846 769 A 101 ALA HB% A 94 GLY HAy 1.0 0.0 5.0 847 770 A 98 ASP H A 97 SER HA 1.0 0.0 3.0 848 771 A 96 THR H A 99 ARG HBx 1.0 0.0 5.0 849 771 A 96 THR H A 99 ARG HBy 1.0 0.0 5.0 850 772 A 93 ILE H A 92 PHE HBy 1.0 0.0 3.0 851 773 A 93 ILE H A 92 PHE HBx 1.0 0.0 4.0 852 774 A 92 PHE H A 91 GLY HAy 1.0 0.0 3.0 853 775 A 92 PHE H A 91 GLY HAx 1.0 0.0 3.0 854 776 A 91 GLY H A 90 MET HBy 1.0 0.0 3.0 855 777 A 91 GLY H A 90 MET H 1.0 0.0 3.0 856 778 A 91 GLY H A 13 GLN HGx 1.0 0.0 5.0 857 778 A 13 GLN HGy A 91 GLY H 1.0 0.0 5.0 858 779 A 91 GLY H A 13 GLN HBx 1.0 0.0 5.0 859 779 A 91 GLY H A 13 GLN HBy 1.0 0.0 5.0 860 780 A 89 VAL HGx% A 89 VAL H 1.0 0.0 3.0 861 781 A 88 ARG H A 87 PRO HA 1.0 0.0 2.7 862 782 A 86 VAL H A 85 SER HA 1.0 0.0 4.0 863 783 A 86 VAL H A 85 SER HBx 1.0 0.0 4.0 864 783 A 86 VAL H A 85 SER HBy 1.0 0.0 4.0 865 784 A 86 VAL H A 86 VAL HB 1.0 0.0 2.7 866 785 A 86 VAL H A 86 VAL HGy% 1.0 0.0 3.0 867 786 A 93 ILE HD1% A 13 GLN HE21 1.0 0.0 6.0 868 787 A 93 ILE HD1% A 13 GLN HE22 1.0 0.0 6.0 869 788 A 13 GLN HE21 A 90 MET HE% 1.0 0.0 5.0 870 789 A 13 GLN HE22 A 90 MET HE% 1.0 0.0 5.0 871 790 A 108 VAL HA A 103 ILE HD1% 1.0 0.0 4.0 872 791 A 93 ILE HD1% A 68 TYR HE% 1.0 0.0 4.0 873 792 A 111 ILE HD1% A 68 TYR HE% 1.0 0.0 5.0 874 793 A 68 TYR HE% A 93 ILE HG1y 1.0 0.0 5.0 875 794 A 83 VAL HGy% A 92 PHE HE% 1.0 0.0 4.0 876 795 A 83 VAL HGx% A 92 PHE HE% 1.0 0.0 4.0 877 796 A 92 PHE HE% A 75 MET HE% 1.0 0.0 4.0 878 797 A 79 SER HBx A 73 MET HE% 1.0 0.0 4.0 879 798 A 79 SER HBy A 73 MET HE% 1.0 0.0 4.0 880 799 A 73 MET HE% A 75 MET HE% 1.0 0.0 4.0 881 800 A 73 MET HE% A 39 PHE HZ 1.0 0.0 4.0 882 801 A 82 LEU HDy% A 39 PHE HZ 1.0 0.0 4.0 883 802 A 79 SER HBx A 39 PHE HZ 1.0 0.0 5.0 884 803 A 79 SER HBy A 39 PHE HZ 1.0 0.0 4.0 885 804 A 83 VAL H A 83 VAL HB 1.0 0.0 3.0 886 805 A 96 THR H A 96 THR HG2% 1.0 0.0 3.0 887 806 A 101 ALA HB% A 96 THR H 1.0 0.0 5.0 888 807 A 104 SER H A 107 GLU HBx 1.0 0.0 5.0 889 808 A 104 SER H A 103 ILE HG1y 1.0 0.0 5.0 890 809 A 104 SER H A 103 ILE HB 1.0 0.0 3.0 891 810 A 104 SER H A 104 SER HBx 1.0 0.0 3.0 892 811 A 104 SER HBy A 105 ASP H 1.0 0.0 3.0 893 812 A 104 SER HBy A 106 LYS HBx 1.0 0.0 5.0 894 812 A 104 SER HBy A 106 LYS HBy 1.0 0.0 5.0 895 813 A 104 SER HBx A 106 LYS HBx 1.0 0.0 5.0 896 813 A 104 SER HBx A 106 LYS HBy 1.0 0.0 5.0 897 814 A 105 ASP H A 105 ASP HBx 1.0 0.0 3.0 898 815 A 108 VAL HGx% A 105 ASP HA 1.0 0.0 5.0 899 816 A 106 LYS H A 105 ASP HBx 1.0 0.0 4.0 900 817 A 106 LYS H A 105 ASP HA 1.0 0.0 4.0 901 818 A 107 GLU H A 106 LYS HBx 1.0 0.0 3.0 902 818 A 107 GLU H A 106 LYS HBy 1.0 0.0 3.0 903 819 A 108 VAL HB A 108 VAL H 1.0 0.0 2.7 904 820 A 108 VAL H A 108 VAL HGy% 1.0 0.0 3.0 905 821 A 108 VAL H A 107 GLU HBy 1.0 0.0 3.0 906 822 A 108 VAL H A 107 GLU HBx 1.0 0.0 5.0 907 823 A 109 ASP H A 108 VAL HB 1.0 0.0 3.0 908 824 A 109 ASP HBy A 109 ASP H 1.0 0.0 3.0 909 825 A 109 ASP HA A 109 ASP HBx 1.0 0.0 3.0 910 826 A 111 ILE H A 111 ILE HB 1.0 0.0 3.0 911 827 A 112 MET H A 111 ILE H 1.0 0.0 3.0 912 828 A 111 ILE H A 110 ALA H 1.0 0.0 3.0 913 829 A 112 MET H A 108 VAL HA 1.0 0.0 5.0 914 830 A 112 MET H A 111 ILE HG2% 1.0 0.0 4.0 915 831 A 64 PHE HD% A 115 LEU HDx% 1.0 0.0 5.0 916 832 A 115 LEU HA A 64 PHE HD% 1.0 0.0 5.0 917 833 A 68 TYR HE% A 11 VAL HB 1.0 0.0 5.0 918 834 A 68 TYR HE% A 93 ILE HG1y 1.0 0.0 5.0 919 835 A 93 ILE HD1% A 68 TYR HE% 1.0 0.0 3.0 920 836 A 68 TYR HE% A 11 VAL HGy% 1.0 0.0 4.0 921 837 A 70 LEU H A 43 MET HBy 1.0 0.0 5.0 922 837 A 70 LEU H A 43 MET HBx 1.0 0.0 5.0 923 838 A 70 LEU H A 45 PRO HDx 1.0 0.0 5.0 924 838 A 70 LEU H A 45 PRO HDy 1.0 0.0 5.0 925 839 A 103 ILE HD1% A 11 VAL H 1.0 0.0 5.0 926 840 A 12 VAL H A 12 VAL HB 1.0 0.0 3.0 927 841 A 22 VAL H A 22 VAL HB 1.0 0.0 2.7 928 842 A 22 VAL HGy% A 22 VAL H 1.0 0.0 3.0 929 843 A 29 HIS HD2 A 26 LEU HDy% 1.0 0.0 4.0 930 844 A 29 HIS HD2 A 26 LEU HG 1.0 0.0 5.0 931 845 A 33 HIS HD2 A 32 LEU HBx 1.0 0.0 4.0 932 846 A 33 HIS HBx A 34 ASN H 1.0 0.0 4.0 933 847 A 30 ILE HG2% A 35 MET H 1.0 0.0 3.0 934 848 A 36 GLU H A 36 GLU HBx 1.0 0.0 3.0 935 848 A 36 GLU H A 36 GLU HBy 1.0 0.0 3.0 936 849 A 38 LEU H A 38 LEU HG 1.0 0.0 3.0 937 850 A 38 LEU H A 38 LEU HBy 1.0 0.0 3.0 938 851 A 39 PHE H A 30 ILE HD1% 1.0 0.0 5.0 939 852 A 39 PHE H A 73 MET HGx 1.0 0.0 4.0 940 852 A 73 MET HGy A 39 PHE H 1.0 0.0 4.0 941 853 A 40 GLY H A 73 MET HGx 1.0 0.0 5.0 942 853 A 73 MET HGy A 40 GLY H 1.0 0.0 5.0 943 854 A 92 PHE HD% A 12 VAL HGy% 1.0 0.0 4.0 944 855 A 92 PHE HE% A 12 VAL HGy% 1.0 0.0 4.0 945 856 A 69 VAL H A 69 VAL HB 1.0 0.0 2.7 946 857 A 69 VAL H A 68 TYR HBx 1.0 0.0 4.0 947 858 A 43 MET H A 42 VAL HGy% 1.0 0.0 3.0 948 859 A 42 VAL H A 42 VAL HB 1.0 0.0 2.7 949 860 A 86 VAL HA A 29 HIS HE1 1.0 0.0 4.0 950 861 A 87 PRO HDy A 29 HIS HE1 1.0 0.0 5.0 951 862 A 108 VAL HA A 43 MET HE% 1.0 0.0 5.0 952 863 A 108 VAL HGx% A 43 MET HE% 1.0 0.0 4.0 953 864 A 9 TRP HH2 A 43 MET HE% 1.0 0.0 5.0 954 865 A 9 TRP HZ3 A 43 MET HE% 1.0 0.0 5.0 955 866 A 108 VAL HGx% A 112 MET HE% 1.0 0.0 5.0 956 867 A 43 MET HA A 112 MET HE% 1.0 0.0 5.0 957 868 A 45 PRO HA A 112 MET HE% 1.0 0.0 4.0 958 869 A 75 MET HE% A 10 TYR HA 1.0 0.0 5.0 959 870 A 100 PRO HA A 75 MET HE% 1.0 0.0 5.0 960 871 A 82 LEU H A 35 MET HE% 1.0 0.0 4.0 961 872 A 39 PHE H A 38 LEU HG 1.0 0.0 4.0 962 873 A 39 PHE H A 38 LEU HBy 1.0 0.0 4.0 963 874 A 73 MET HBx A 39 PHE H 1.0 0.0 5.0 964 875 A 89 VAL HGx% A 14 ALA HA 1.0 0.0 5.0 965 876 A 91 GLY HAy A 89 VAL HGy% 1.0 0.0 5.0 966 877 A 91 GLY HAx A 89 VAL HGy% 1.0 0.0 5.0 967 878 A 89 VAL HGy% A 84 ARG HA 1.0 0.0 4.0 968 879 A 89 VAL H A 89 VAL HB 1.0 0.0 3.0 969 880 A 93 ILE HB A 11 VAL HB 1.0 0.0 3.0 970 881 A 94 GLY HAy A 93 ILE HG2% 1.0 0.0 5.0 971 882 A 93 ILE HG2% A 11 VAL HB 1.0 0.0 5.0 972 883 A 93 ILE HG2% A 11 VAL HGx% 1.0 0.0 5.0 973 884 A 71 VAL HGx% A 26 LEU HDx% 1.0 0.0 3.0 974 885 A 43 MET H A 71 VAL HGy% 1.0 0.0 4.0 975 886 A 71 VAL HGy% A 70 LEU HA 1.0 0.0 5.0 976 887 A 13 GLN H A 12 VAL HGx% 1.0 0.0 4.0 977 888 A 71 VAL HB A 12 VAL HGy% 1.0 0.0 4.0 978 889 A 71 VAL H A 71 VAL HB 1.0 0.0 3.0 979 890 A 71 VAL H A 12 VAL HGy% 1.0 0.0 5.0 980 891 A 12 VAL HA A 12 VAL HGy% 1.0 0.0 3.0 981 892 A 11 VAL HGy% A 11 VAL HA 1.0 0.0 3.0 982 893 A 11 VAL HA A 11 VAL HGx% 1.0 0.0 3.0 983 894 A 80 TRP HD1 A 99 ARG HGx 1.0 0.0 4.0 984 894 A 100 PRO HGy A 80 TRP HD1 1.0 0.0 4.0 985 894 A 80 TRP HD1 A 99 ARG HGy 1.0 0.0 4.0 986 895 A 108 VAL H A 103 ILE HG1x 1.0 0.0 5.0 987 895 A 108 VAL H A 103 ILE HG2% 1.0 0.0 5.0 988 896 A 100 PRO HDy A 99 ARG H 1.0 0.0 4.0 989 896 A 99 ARG H A 92 PHE HBy 1.0 0.0 4.0 990 897 A 100 PRO HDx A 99 ARG H 1.0 0.0 5.0 991 897 A 99 ARG H A 92 PHE HBx 1.0 0.0 5.0 992 898 A 71 VAL HGy% A 69 VAL HGy% 1.0 0.0 3.0 993 898 A 71 VAL HGy% A 26 LEU HDx% 1.0 0.0 3.0 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 83 VAL N A 83 VAL CA A 83 VAL CB A 83 VAL CG1 1.0 160.0 200.0 CHI1 2 2 A 83 VAL HA A 83 VAL CA A 83 VAL CB A 83 VAL HB 1.0 160.0 200.0 . 3 3 A 39 PHE N A 39 PHE CA A 39 PHE CB A 39 PHE HB3 1.0 160.0 200.0 . 4 4 A 11 VAL N A 11 VAL CA A 11 VAL CB A 11 VAL CG1 1.0 160.0 200.0 CHI1 5 5 A 105 ASP N A 105 ASP CA A 105 ASP CB A 105 ASP HB3 1.0 160.0 200.0 . 6 6 A 105 ASP HA A 105 ASP CA A 105 ASP CB A 105 ASP HB2 1.0 160.0 200.0 . 7 7 A 109 ASP N A 109 ASP CA A 109 ASP CB A 109 ASP HB3 1.0 160.0 200.0 . 8 8 A 109 ASP HA A 109 ASP CA A 109 ASP CB A 109 ASP HB2 1.0 160.0 200.0 . stop_ save_