data_nef_c34185_6er0 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 6ER0 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 1 GLY start . false 2 A 2 GLY middle . false 3 A 3 TYR middle . . 4 A 4 ASN middle . . 5 A 5 PRO middle . false 6 A 6 HIS middle . . 7 A 7 THR middle . . 8 A 8 PRO middle . false 9 A 9 GLY middle . false 10 A 10 SER middle . . 11 A 11 GLY middle . false 12 A 12 ILE middle . . 13 A 13 GLU middle . . 14 A 14 GLN middle . . 15 A 15 ASN middle . . 16 A 16 SER middle . . 17 A 17 SER middle . . 18 A 18 ASP middle . . 19 A 19 TRP middle . . 20 A 20 VAL middle . . 21 A 21 THR middle . . 22 A 22 THR middle . . 23 A 23 ASP middle . . 24 A 24 ILE middle . . 25 A 25 GLN middle . . 26 A 26 VAL middle . . 27 A 27 LYS middle . . 28 A 28 VAL middle . . 29 A 29 ARG middle . . 30 A 30 ASP middle . . 31 A 31 THR middle . . 32 A 32 TYR middle . . 33 A 33 LEU middle . . 34 A 34 ASP middle . . 35 A 35 THR middle . . 36 A 36 GLN middle . . 37 A 37 VAL middle . . 38 A 38 VAL middle . . 39 A 39 GLY middle . false 40 A 40 GLN middle . . 41 A 41 THR middle . . 42 A 42 GLY middle . false 43 A 43 VAL middle . . 44 A 44 ILE middle . . 45 A 45 ARG middle . . 46 A 46 SER middle . . 47 A 47 VAL middle . . 48 A 48 THR middle . . 49 A 49 GLY middle . false 50 A 50 GLY middle . false 51 A 51 MET middle . . 52 A 52 CYS middle . . 53 A 53 SER middle . . 54 A 54 VAL middle . . 55 A 55 TYR middle . . 56 A 56 LEU middle . . 57 A 57 LYS middle . . 58 A 58 ASP middle . . 59 A 59 SER middle . . 60 A 60 GLU middle . . 61 A 61 LYS middle . . 62 A 62 VAL middle . . 63 A 63 VAL middle . . 64 A 64 SER middle . . 65 A 65 ILE middle . . 66 A 66 SER middle . . 67 A 67 SER middle . . 68 A 68 GLU middle . . 69 A 69 HIS middle . . 70 A 70 LEU middle . . 71 A 71 GLU middle . . 72 A 72 PRO middle . false 73 A 73 ILE middle . . 74 A 74 THR middle . . 75 A 75 PRO middle . false 76 A 76 THR middle . . 77 A 77 LYS middle . . 78 A 78 ASN middle . . 79 A 79 ASN middle . . 80 A 80 LYS middle . . 81 A 81 VAL middle . . 82 A 82 LYS middle . . 83 A 83 VAL middle . . 84 A 84 ILE middle . . 85 A 85 LEU middle . . 86 A 86 GLY middle . false 87 A 87 GLU middle . . 88 A 88 ASP middle . . 89 A 89 ARG middle . . 90 A 90 GLU middle . . 91 A 91 ALA middle . . 92 A 92 THR middle . . 93 A 93 GLY middle . false 94 A 94 VAL middle . . 95 A 95 LEU middle . . 96 A 96 LEU middle . . 97 A 97 SER middle . . 98 A 98 ILE middle . . 99 A 99 ASP middle . . 100 A 100 GLY middle . false 101 A 101 GLU middle . . 102 A 102 ASP middle . . 103 A 103 GLY middle . false 104 A 104 ILE middle . . 105 A 105 VAL middle . . 106 A 106 ARG middle . . 107 A 107 MET middle . . 108 A 108 ASP middle . . 109 A 109 LEU middle . . 110 A 110 ASP middle . . 111 A 111 GLU middle . . 112 A 112 GLN middle . . 113 A 113 LEU middle . . 114 A 114 LYS middle . . 115 A 115 ILE middle . . 116 A 116 LEU middle . . 117 A 117 ASN middle . . 118 A 118 LEU middle . . 119 A 119 ARG middle . . 120 A 120 PHE middle . . 121 A 121 LEU middle . . 122 A 122 GLY middle . false 123 A 123 LYS middle . . 124 A 124 LEU middle . . 125 A 125 LEU middle . . 126 A 126 GLU middle . . 127 A 127 ALA end . . 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 1 GLY C C 13 174.74 0.20 A 2 GLY H H 1 8.26 0.03 A 2 GLY HAx H 1 3.92 0.03 A 2 GLY HAy H 1 3.92 0.03 A 2 GLY C C 13 173.63 0.20 A 2 GLY CA C 13 45.36 0.20 A 2 GLY N N 15 108.73 0.20 A 3 TYR H H 1 8.16 0.03 A 3 TYR HA H 1 4.52 0.03 A 3 TYR HBx H 1 2.94 0.03 A 3 TYR HBy H 1 2.94 0.03 A 3 TYR HD1 H 1 7.07 0.03 A 3 TYR HD2 H 1 7.07 0.03 A 3 TYR HE1 H 1 6.78 0.03 A 3 TYR HE2 H 1 6.78 0.03 A 3 TYR C C 13 174.90 0.20 A 3 TYR CA C 13 57.90 0.20 A 3 TYR CB C 13 38.97 0.20 A 3 TYR CD1 C 13 133.27 0.20 A 3 TYR CE1 C 13 118.24 0.20 A 3 TYR N N 15 120.70 0.20 A 4 ASN H H 1 8.33 0.03 A 4 ASN CA C 13 50.49 0.20 A 4 ASN CB C 13 39.35 0.20 A 4 ASN N N 15 123.90 0.20 A 5 PRO HA H 1 4.27 0.03 A 5 PRO HBx H 1 2.19 0.03 A 5 PRO HBy H 1 2.19 0.03 A 5 PRO C C 13 176.60 0.20 A 5 PRO CA C 13 63.27 0.20 A 5 PRO CB C 13 32.15 0.20 A 5 PRO CD C 13 50.72 0.20 A 5 PRO CG C 13 26.52 0.20 A 6 HIS H H 1 8.29 0.03 A 6 HIS HA H 1 4.64 0.03 A 6 HIS HBx H 1 3.16 0.03 A 6 HIS HBy H 1 3.16 0.03 A 6 HIS HD2 H 1 7.12 0.03 A 6 HIS HE1 H 1 8.16 0.03 A 6 HIS C C 13 174.96 0.20 A 6 HIS CA C 13 55.84 0.20 A 6 HIS CB C 13 29.75 0.20 A 6 HIS N N 15 118.38 0.20 A 7 THR H H 1 8.01 0.03 A 7 THR CA C 13 59.74 0.20 A 7 THR CB C 13 69.75 0.20 A 7 THR N N 15 117.67 0.20 A 8 PRO HA H 1 4.41 0.03 A 8 PRO HBx H 1 1.96 0.03 A 8 PRO HBy H 1 2.33 0.03 A 8 PRO HDy H 1 3.81 0.03 A 8 PRO HDx H 1 3.70 0.03 A 8 PRO HGy H 1 2.08 0.03 A 8 PRO HGx H 1 2.00 0.03 A 8 PRO C C 13 177.58 0.20 A 8 PRO CA C 13 63.87 0.20 A 8 PRO CB C 13 32.26 0.20 A 8 PRO CD C 13 51.11 0.20 A 8 PRO CG C 13 27.43 0.20 A 9 GLY H H 1 8.60 0.03 A 9 GLY HAx H 1 4.00 0.03 A 9 GLY HAy H 1 4.00 0.03 A 9 GLY C C 13 174.39 0.20 A 9 GLY CA C 13 45.36 0.20 A 9 GLY N N 15 110.07 0.20 A 10 SER H H 1 8.21 0.03 A 10 SER HA H 1 4.46 0.03 A 10 SER HBx H 1 3.91 0.03 A 10 SER HBy H 1 3.91 0.03 A 10 SER C C 13 175.13 0.20 A 10 SER CA C 13 58.73 0.20 A 10 SER CB C 13 64.12 0.20 A 10 SER N N 15 115.47 0.20 A 11 GLY H H 1 8.54 0.03 A 11 GLY HAx H 1 4.00 0.03 A 11 GLY HAy H 1 4.00 0.03 A 11 GLY C C 13 174.14 0.20 A 11 GLY CA C 13 45.38 0.20 A 11 GLY N N 15 111.04 0.20 A 12 ILE H H 1 7.97 0.03 A 12 ILE HA H 1 4.20 0.03 A 12 ILE HB H 1 1.84 0.03 A 12 ILE HD1% H 1 0.82 0.03 A 12 ILE HG1x H 1 1.16 0.03 A 12 ILE HG1y H 1 1.42 0.03 A 12 ILE HG2% H 1 0.88 0.03 A 12 ILE C C 13 176.39 0.20 A 12 ILE CA C 13 61.36 0.20 A 12 ILE CB C 13 38.94 0.20 A 12 ILE CD1 C 13 13.12 0.20 A 12 ILE CG1 C 13 27.43 0.20 A 12 ILE CG2 C 13 17.93 0.20 A 12 ILE N N 15 119.60 0.20 A 13 GLU H H 1 8.58 0.03 A 13 GLU HA H 1 4.28 0.03 A 13 GLU HBx H 1 1.95 0.03 A 13 GLU HBy H 1 2.05 0.03 A 13 GLU HGy H 1 2.28 0.03 A 13 GLU HGx H 1 2.19 0.03 A 13 GLU C C 13 176.53 0.20 A 13 GLU CA C 13 56.78 0.20 A 13 GLU CB C 13 30.00 0.20 A 13 GLU CG C 13 36.29 0.20 A 13 GLU N N 15 124.76 0.20 A 14 GLN H H 1 8.44 0.03 A 14 GLN HA H 1 4.35 0.03 A 14 GLN HBx H 1 1.97 0.03 A 14 GLN HBy H 1 2.11 0.03 A 14 GLN HGx H 1 2.34 0.03 A 14 GLN HGy H 1 2.34 0.03 A 14 GLN C C 13 175.76 0.20 A 14 GLN CA C 13 56.10 0.20 A 14 GLN CB C 13 29.53 0.20 A 14 GLN CG C 13 33.39 0.20 A 14 GLN N N 15 121.56 0.20 A 15 ASN H H 1 8.57 0.03 A 15 ASN HA H 1 4.78 0.03 A 15 ASN HBy H 1 2.87 0.03 A 15 ASN HBx H 1 2.83 0.03 A 15 ASN C C 13 175.50 0.20 A 15 ASN CA C 13 53.31 0.20 A 15 ASN CB C 13 39.11 0.20 A 15 ASN N N 15 119.97 0.20 A 16 SER H H 1 8.39 0.03 A 16 SER HA H 1 4.51 0.03 A 16 SER HBx H 1 3.90 0.03 A 16 SER HBy H 1 4.00 0.03 A 16 SER C C 13 174.74 0.20 A 16 SER CA C 13 58.85 0.20 A 16 SER CB C 13 64.02 0.20 A 16 SER N N 15 116.63 0.20 A 17 SER H H 1 8.42 0.03 A 17 SER HA H 1 4.51 0.03 A 17 SER HBx H 1 3.80 0.03 A 17 SER HBy H 1 3.80 0.03 A 17 SER C C 13 174.50 0.20 A 17 SER CA C 13 58.19 0.20 A 17 SER CB C 13 63.83 0.20 A 17 SER N N 15 116.47 0.20 A 18 ASP H H 1 8.20 0.03 A 18 ASP HA H 1 4.41 0.03 A 18 ASP HBx H 1 2.60 0.03 A 18 ASP HBy H 1 2.67 0.03 A 18 ASP C C 13 175.15 0.20 A 18 ASP CA C 13 55.54 0.20 A 18 ASP CB C 13 40.48 0.20 A 18 ASP N N 15 122.46 0.20 A 19 TRP H H 1 7.32 0.03 A 19 TRP HA H 1 4.63 0.03 A 19 TRP HBy H 1 3.49 0.03 A 19 TRP HBx H 1 2.85 0.03 A 19 TRP HD1 H 1 7.57 0.03 A 19 TRP HE1 H 1 10.45 0.03 A 19 TRP HE3 H 1 6.74 0.03 A 19 TRP HH2 H 1 6.73 0.03 A 19 TRP HZ2 H 1 7.63 0.03 A 19 TRP HZ3 H 1 7.31 0.03 A 19 TRP CA C 13 55.27 0.20 A 19 TRP CB C 13 29.75 0.20 A 19 TRP CD1 C 13 128.02 0.20 A 19 TRP CH2 C 13 123.05 0.20 A 19 TRP CZ2 C 13 115.46 0.20 A 19 TRP CZ3 C 13 121.39 0.20 A 19 TRP N N 15 116.76 0.20 A 19 TRP NE1 N 15 131.37 0.20 A 20 VAL H H 1 6.13 0.03 A 20 VAL HA H 1 2.81 0.03 A 20 VAL HB H 1 1.43 0.03 A 20 VAL HGx% H 1 0.02 0.03 A 20 VAL HGy% H 1 0.02 0.03 A 20 VAL C C 13 175.60 0.20 A 20 VAL CA C 13 64.95 0.20 A 20 VAL CB C 13 31.31 0.20 A 20 VAL CGy C 13 21.67 0.20 A 20 VAL CGx C 13 19.68 0.20 A 20 VAL N N 15 116.52 0.20 A 21 THR H H 1 6.84 0.03 A 21 THR HA H 1 4.42 0.03 A 21 THR HB H 1 4.39 0.03 A 21 THR HG2% H 1 1.17 0.03 A 21 THR C C 13 171.71 0.20 A 21 THR CA C 13 58.74 0.20 A 21 THR CB C 13 67.32 0.20 A 21 THR CG2 C 13 20.32 0.20 A 21 THR N N 15 117.46 0.20 A 22 THR H H 1 7.70 0.03 A 22 THR HA H 1 3.82 0.03 A 22 THR HB H 1 4.17 0.03 A 22 THR HG2% H 1 1.12 0.03 A 22 THR C C 13 176.00 0.20 A 22 THR CA C 13 62.46 0.20 A 22 THR CB C 13 70.11 0.20 A 22 THR CG2 C 13 23.27 0.20 A 22 THR N N 15 109.64 0.20 A 23 ASP H H 1 9.06 0.03 A 23 ASP HA H 1 4.20 0.03 A 23 ASP HBy H 1 3.08 0.03 A 23 ASP HBx H 1 2.92 0.03 A 23 ASP C C 13 173.86 0.20 A 23 ASP CA C 13 57.33 0.20 A 23 ASP CB C 13 38.83 0.20 A 23 ASP N N 15 111.45 0.20 A 24 ILE H H 1 6.81 0.03 A 24 ILE HA H 1 5.21 0.03 A 24 ILE HB H 1 1.94 0.03 A 24 ILE HD1% H 1 1.19 0.03 A 24 ILE HG1y H 1 1.57 0.03 A 24 ILE HG1x H 1 1.29 0.03 A 24 ILE HG2% H 1 0.80 0.03 A 24 ILE CA C 13 58.98 0.20 A 24 ILE CB C 13 40.70 0.20 A 24 ILE CD1 C 13 15.34 0.20 A 24 ILE CG1 C 13 24.70 0.20 A 24 ILE CG2 C 13 18.63 0.20 A 24 ILE N N 15 107.53 0.20 A 25 GLN H H 1 8.57 0.03 A 25 GLN HA H 1 5.39 0.03 A 25 GLN HBx H 1 2.29 0.03 A 25 GLN HBy H 1 2.29 0.03 A 25 GLN HE21 H 1 7.31 0.03 A 25 GLN HE22 H 1 7.04 0.03 A 25 GLN HGx H 1 2.17 0.03 A 25 GLN HGy H 1 2.46 0.03 A 25 GLN C C 13 177.20 0.20 A 25 GLN CA C 13 55.67 0.20 A 25 GLN CB C 13 30.36 0.20 A 25 GLN CG C 13 35.39 0.20 A 25 GLN N N 15 119.75 0.20 A 25 GLN NE2 N 15 111.80 0.20 A 26 VAL H H 1 9.38 0.03 A 26 VAL HA H 1 5.34 0.03 A 26 VAL HB H 1 2.21 0.03 A 26 VAL HGx% H 1 0.70 0.03 A 26 VAL HGy% H 1 1.13 0.03 A 26 VAL C C 13 172.89 0.20 A 26 VAL CA C 13 58.69 0.20 A 26 VAL CB C 13 36.95 0.20 A 26 VAL CGx C 13 18.30 0.20 A 26 VAL CGy C 13 23.03 0.20 A 26 VAL N N 15 117.55 0.20 A 27 LYS H H 1 9.13 0.03 A 27 LYS HA H 1 5.20 0.03 A 27 LYS HBx H 1 1.51 0.03 A 27 LYS HBy H 1 1.62 0.03 A 27 LYS HDx H 1 1.57 0.03 A 27 LYS HDy H 1 1.57 0.03 A 27 LYS HEx H 1 2.88 0.03 A 27 LYS HEy H 1 2.88 0.03 A 27 LYS HGx H 1 1.21 0.03 A 27 LYS HGy H 1 1.21 0.03 A 27 LYS C C 13 175.65 0.20 A 27 LYS CA C 13 53.94 0.20 A 27 LYS CB C 13 36.44 0.20 A 27 LYS CD C 13 29.30 0.20 A 27 LYS CE C 13 41.84 0.20 A 27 LYS CG C 13 24.65 0.20 A 27 LYS N N 15 120.24 0.20 A 28 VAL H H 1 7.93 0.03 A 28 VAL HA H 1 4.29 0.03 A 28 VAL HB H 1 2.21 0.03 A 28 VAL HGx% H 1 0.96 0.03 A 28 VAL HGy% H 1 0.59 0.03 A 28 VAL C C 13 177.49 0.20 A 28 VAL CA C 13 63.18 0.20 A 28 VAL CB C 13 31.10 0.20 A 28 VAL CGy C 13 21.87 0.20 A 28 VAL CGx C 13 20.05 0.20 A 28 VAL N N 15 123.01 0.20 A 29 ARG H H 1 9.21 0.03 A 29 ARG HA H 1 4.31 0.03 A 29 ARG C C 13 176.24 0.20 A 29 ARG CA C 13 57.24 0.20 A 29 ARG CB C 13 33.67 0.20 A 29 ARG CD C 13 43.71 0.20 A 29 ARG CG C 13 28.39 0.20 A 29 ARG N N 15 130.00 0.20 A 30 ASP H H 1 8.58 0.03 A 30 ASP HA H 1 4.42 0.03 A 30 ASP HBy H 1 2.96 0.03 A 30 ASP HBx H 1 2.63 0.03 A 30 ASP C C 13 176.44 0.20 A 30 ASP CA C 13 55.67 0.20 A 30 ASP CB C 13 39.92 0.20 A 30 ASP N N 15 117.41 0.20 A 31 THR H H 1 7.10 0.03 A 31 THR HA H 1 4.62 0.03 A 31 THR HB H 1 4.10 0.03 A 31 THR HG2% H 1 1.31 0.03 A 31 THR C C 13 175.04 0.20 A 31 THR CA C 13 62.25 0.20 A 31 THR CB C 13 68.06 0.20 A 31 THR CG2 C 13 22.70 0.20 A 31 THR N N 15 107.82 0.20 A 32 TYR H H 1 7.66 0.03 A 32 TYR HA H 1 3.58 0.03 A 32 TYR HBx H 1 2.71 0.03 A 32 TYR HBy H 1 2.86 0.03 A 32 TYR HD1 H 1 6.85 0.03 A 32 TYR HD2 H 1 6.85 0.03 A 32 TYR HE1 H 1 6.91 0.03 A 32 TYR HE2 H 1 6.91 0.03 A 32 TYR CA C 13 58.24 0.20 A 32 TYR CB C 13 39.69 0.20 A 32 TYR CD1 C 13 132.55 0.20 A 32 TYR CE1 C 13 118.80 0.20 A 32 TYR N N 15 123.69 0.20 A 33 LEU H H 1 6.82 0.03 A 33 LEU HA H 1 3.83 0.03 A 33 LEU HBx H 1 1.34 0.03 A 33 LEU HBy H 1 1.52 0.03 A 33 LEU HDx% H 1 0.73 0.03 A 33 LEU HDy% H 1 0.82 0.03 A 33 LEU HG H 1 1.46 0.03 A 33 LEU CA C 13 57.30 0.20 A 33 LEU CB C 13 41.30 0.20 A 33 LEU CDx C 13 23.20 0.20 A 33 LEU CDy C 13 25.00 0.20 A 33 LEU CG C 13 26.70 0.20 A 33 LEU N N 15 121.00 0.20 A 34 ASP HA H 1 4.69 0.03 A 34 ASP HBy H 1 2.97 0.03 A 34 ASP HBx H 1 2.30 0.03 A 34 ASP C C 13 177.16 0.20 A 34 ASP CA C 13 53.07 0.20 A 34 ASP CB C 13 41.05 0.20 A 35 THR H H 1 8.34 0.03 A 35 THR HA H 1 3.93 0.03 A 35 THR HB H 1 4.33 0.03 A 35 THR HG2% H 1 1.36 0.03 A 35 THR C C 13 175.93 0.20 A 35 THR CA C 13 64.84 0.20 A 35 THR CB C 13 68.85 0.20 A 35 THR CG2 C 13 22.11 0.20 A 35 THR N N 15 119.05 0.20 A 36 GLN H H 1 8.46 0.03 A 36 GLN HA H 1 4.24 0.03 A 36 GLN HBx H 1 2.17 0.03 A 36 GLN HBy H 1 2.17 0.03 A 36 GLN HGx H 1 2.36 0.03 A 36 GLN HGy H 1 2.48 0.03 A 36 GLN C C 13 176.95 0.20 A 36 GLN CA C 13 57.69 0.20 A 36 GLN CB C 13 29.02 0.20 A 36 GLN CG C 13 34.71 0.20 A 36 GLN N N 15 118.78 0.20 A 37 VAL H H 1 7.52 0.03 A 37 VAL HA H 1 4.14 0.03 A 37 VAL HB H 1 2.17 0.03 A 37 VAL HGx% H 1 0.87 0.03 A 37 VAL C C 13 175.28 0.20 A 37 VAL CA C 13 62.28 0.20 A 37 VAL CB C 13 33.84 0.20 A 37 VAL CGy C 13 22.61 0.20 A 37 VAL CGx C 13 22.46 0.20 A 37 VAL N N 15 115.47 0.20 A 38 VAL H H 1 7.22 0.03 A 38 VAL HA H 1 3.26 0.03 A 38 VAL HB H 1 2.00 0.03 A 38 VAL HGx% H 1 0.94 0.03 A 38 VAL HGy% H 1 1.23 0.03 A 38 VAL C C 13 177.01 0.20 A 38 VAL CA C 13 65.66 0.20 A 38 VAL CB C 13 32.09 0.20 A 38 VAL CGx C 13 21.91 0.20 A 38 VAL CGy C 13 23.07 0.20 A 38 VAL N N 15 119.60 0.20 A 39 GLY H H 1 8.63 0.03 A 39 GLY HAy H 1 4.36 0.03 A 39 GLY HAx H 1 3.59 0.03 A 39 GLY CA C 13 45.11 0.20 A 39 GLY N N 15 114.81 0.20 A 40 GLN H H 1 7.97 0.03 A 40 GLN HA H 1 4.37 0.03 A 40 GLN HBx H 1 2.09 0.03 A 40 GLN HBy H 1 2.09 0.03 A 40 GLN HGy H 1 2.46 0.03 A 40 GLN HGx H 1 2.36 0.03 A 40 GLN C C 13 175.19 0.20 A 40 GLN CA C 13 56.87 0.20 A 40 GLN CB C 13 29.60 0.20 A 40 GLN CG C 13 35.35 0.20 A 40 GLN N N 15 119.34 0.20 A 41 THR H H 1 8.38 0.03 A 41 THR HA H 1 5.41 0.03 A 41 THR HB H 1 4.15 0.03 A 41 THR HG2% H 1 1.23 0.03 A 41 THR C C 13 174.82 0.20 A 41 THR CA C 13 60.70 0.20 A 41 THR CB C 13 70.92 0.20 A 41 THR CG2 C 13 21.99 0.20 A 41 THR N N 15 112.52 0.20 A 42 GLY H H 1 9.24 0.03 A 42 GLY HAy H 1 4.94 0.03 A 42 GLY HAx H 1 3.79 0.03 A 42 GLY C C 13 171.54 0.20 A 42 GLY CA C 13 45.64 0.20 A 42 GLY N N 15 110.48 0.20 A 43 VAL H H 1 8.65 0.03 A 43 VAL HA H 1 5.19 0.03 A 43 VAL HB H 1 1.99 0.03 A 43 VAL HGx% H 1 1.01 0.03 A 43 VAL HGy% H 1 1.01 0.03 A 43 VAL C C 13 175.84 0.20 A 43 VAL CA C 13 59.53 0.20 A 43 VAL CB C 13 35.90 0.20 A 43 VAL CGx C 13 20.90 0.20 A 43 VAL CGy C 13 21.80 0.20 A 43 VAL N N 15 118.35 0.20 A 44 ILE H H 1 7.98 0.03 A 44 ILE HA H 1 4.12 0.03 A 44 ILE HB H 1 2.17 0.03 A 44 ILE HD1% H 1 1.02 0.03 A 44 ILE HG1y H 1 1.95 0.03 A 44 ILE HG1x H 1 0.79 0.03 A 44 ILE HG2% H 1 0.66 0.03 A 44 ILE C C 13 176.17 0.20 A 44 ILE CA C 13 63.55 0.20 A 44 ILE CB C 13 37.85 0.20 A 44 ILE CD1 C 13 13.94 0.20 A 44 ILE CG1 C 13 28.70 0.20 A 44 ILE CG2 C 13 19.26 0.20 A 44 ILE N N 15 125.18 0.20 A 45 ARG H H 1 9.54 0.03 A 45 ARG HA H 1 4.60 0.03 A 45 ARG HBy H 1 1.88 0.03 A 45 ARG HBx H 1 1.76 0.03 A 45 ARG HDx H 1 3.20 0.03 A 45 ARG HDy H 1 3.20 0.03 A 45 ARG HGx H 1 1.69 0.03 A 45 ARG HGy H 1 1.69 0.03 A 45 ARG C C 13 176.33 0.20 A 45 ARG CA C 13 56.46 0.20 A 45 ARG CB C 13 31.74 0.20 A 45 ARG CD C 13 43.28 0.20 A 45 ARG CG C 13 26.98 0.20 A 45 ARG N N 15 129.93 0.20 A 46 SER H H 1 7.59 0.03 A 46 SER HA H 1 4.46 0.03 A 46 SER HBx H 1 3.82 0.03 A 46 SER HBy H 1 3.82 0.03 A 46 SER C C 13 171.62 0.20 A 46 SER CA C 13 57.67 0.20 A 46 SER CB C 13 64.61 0.20 A 46 SER N N 15 110.63 0.20 A 47 VAL H H 1 8.65 0.03 A 47 VAL HA H 1 4.59 0.03 A 47 VAL HB H 1 1.83 0.03 A 47 VAL HGx% H 1 0.69 0.03 A 47 VAL HGy% H 1 0.60 0.03 A 47 VAL C C 13 175.11 0.20 A 47 VAL CA C 13 61.58 0.20 A 47 VAL CB C 13 34.72 0.20 A 47 VAL CGx C 13 20.78 0.20 A 47 VAL CGy C 13 21.04 0.20 A 47 VAL N N 15 122.17 0.20 A 48 THR H H 1 8.62 0.03 A 48 THR HA H 1 4.44 0.03 A 48 THR HB H 1 3.97 0.03 A 48 THR HG2% H 1 1.14 0.03 A 48 THR CA C 13 60.87 0.20 A 48 THR CB C 13 70.46 0.20 A 48 THR CG2 C 13 20.90 0.20 A 48 THR N N 15 122.62 0.20 A 49 GLY H H 1 9.25 0.03 A 49 GLY HAx H 1 3.71 0.03 A 49 GLY HAy H 1 3.85 0.03 A 49 GLY C C 13 174.75 0.20 A 49 GLY CA C 13 47.30 0.20 A 49 GLY N N 15 119.42 0.20 A 50 GLY H H 1 8.47 0.03 A 50 GLY HAx H 1 3.86 0.03 A 50 GLY HAy H 1 3.91 0.03 A 50 GLY CA C 13 45.20 0.20 A 50 GLY N N 15 110.76 0.20 A 51 MET H H 1 7.94 0.03 A 51 MET HA H 1 4.90 0.03 A 51 MET HE% H 1 2.01 0.03 A 51 MET C C 13 175.66 0.20 A 51 MET CA C 13 53.16 0.20 A 51 MET CB C 13 31.99 0.20 A 51 MET CE C 13 16.10 0.20 A 51 MET N N 15 119.20 0.20 A 52 CYS H H 1 8.59 0.03 A 52 CYS HA H 1 5.06 0.03 A 52 CYS HBx H 1 2.37 0.03 A 52 CYS HBy H 1 2.99 0.03 A 52 CYS C C 13 174.02 0.20 A 52 CYS CA C 13 57.62 0.20 A 52 CYS CB C 13 30.26 0.20 A 52 CYS N N 15 122.81 0.20 A 53 SER H H 1 8.65 0.03 A 53 SER HA H 1 4.88 0.03 A 53 SER HBx H 1 3.72 0.03 A 53 SER HBy H 1 3.72 0.03 A 53 SER C C 13 173.95 0.20 A 53 SER CA C 13 57.76 0.20 A 53 SER CB C 13 62.88 0.20 A 53 SER N N 15 120.07 0.20 A 54 VAL H H 1 9.39 0.03 A 54 VAL HA H 1 4.62 0.03 A 54 VAL HB H 1 1.90 0.03 A 54 VAL HGx% H 1 0.50 0.03 A 54 VAL HGy% H 1 0.75 0.03 A 54 VAL C C 13 174.21 0.20 A 54 VAL CA C 13 60.94 0.20 A 54 VAL CB C 13 34.33 0.20 A 54 VAL CGx C 13 21.39 0.20 A 54 VAL CGy C 13 22.85 0.20 A 54 VAL N N 15 129.12 0.20 A 55 TYR H H 1 8.95 0.03 A 55 TYR HA H 1 4.93 0.03 A 55 TYR HBx H 1 2.78 0.03 A 55 TYR HBy H 1 2.92 0.03 A 55 TYR HD1 H 1 6.87 0.03 A 55 TYR HD2 H 1 6.87 0.03 A 55 TYR HE1 H 1 6.65 0.03 A 55 TYR HE2 H 1 6.65 0.03 A 55 TYR C C 13 174.85 0.20 A 55 TYR CA C 13 56.46 0.20 A 55 TYR CB C 13 39.10 0.20 A 55 TYR CD1 C 13 132.99 0.20 A 55 TYR CE1 C 13 117.76 0.20 A 55 TYR N N 15 127.11 0.20 A 56 LEU H H 1 8.79 0.03 A 56 LEU HA H 1 4.49 0.03 A 56 LEU HBx H 1 1.56 0.03 A 56 LEU HBy H 1 1.56 0.03 A 56 LEU HDx% H 1 0.77 0.03 A 56 LEU HDy% H 1 0.49 0.03 A 56 LEU HG H 1 1.58 0.03 A 56 LEU C C 13 176.11 0.20 A 56 LEU CA C 13 53.81 0.20 A 56 LEU CB C 13 40.75 0.20 A 56 LEU CDy C 13 26.80 0.20 A 56 LEU CDx C 13 22.82 0.20 A 56 LEU CG C 13 26.00 0.20 A 56 LEU N N 15 131.26 0.20 A 57 LYS H H 1 8.01 0.03 A 57 LYS HA H 1 3.72 0.03 A 57 LYS HBx H 1 1.81 0.03 A 57 LYS HBy H 1 1.81 0.03 A 57 LYS HDx H 1 1.65 0.03 A 57 LYS HDy H 1 1.73 0.03 A 57 LYS HEx H 1 3.00 0.03 A 57 LYS HEy H 1 3.00 0.03 A 57 LYS HGx H 1 1.46 0.03 A 57 LYS HGy H 1 1.46 0.03 A 57 LYS C C 13 178.41 0.20 A 57 LYS CA C 13 59.31 0.20 A 57 LYS CB C 13 32.62 0.20 A 57 LYS CD C 13 29.29 0.20 A 57 LYS CE C 13 41.98 0.20 A 57 LYS CG C 13 24.35 0.20 A 57 LYS N N 15 124.41 0.20 A 58 ASP H H 1 8.92 0.03 A 58 ASP HA H 1 4.45 0.03 A 58 ASP HBx H 1 2.66 0.03 A 58 ASP HBy H 1 2.66 0.03 A 58 ASP C C 13 177.21 0.20 A 58 ASP CA C 13 57.09 0.20 A 58 ASP CB C 13 40.09 0.20 A 58 ASP N N 15 116.99 0.20 A 59 SER H H 1 7.25 0.03 A 59 SER HA H 1 4.49 0.03 A 59 SER HBx H 1 3.79 0.03 A 59 SER HBy H 1 3.79 0.03 A 59 SER C C 13 173.55 0.20 A 59 SER CA C 13 58.04 0.20 A 59 SER CB C 13 64.24 0.20 A 59 SER N N 15 110.09 0.20 A 60 GLU H H 1 7.86 0.03 A 60 GLU HA H 1 3.78 0.03 A 60 GLU HBx H 1 2.20 0.03 A 60 GLU HBy H 1 2.27 0.03 A 60 GLU HGx H 1 2.26 0.03 A 60 GLU HGy H 1 2.26 0.03 A 60 GLU C C 13 174.83 0.20 A 60 GLU CA C 13 57.09 0.20 A 60 GLU CB C 13 27.11 0.20 A 60 GLU CG C 13 36.34 0.20 A 60 GLU N N 15 119.11 0.20 A 61 LYS H H 1 7.09 0.03 A 61 LYS HA H 1 4.67 0.03 A 61 LYS HBx H 1 1.60 0.03 A 61 LYS HBy H 1 1.71 0.03 A 61 LYS HDx H 1 1.57 0.03 A 61 LYS HDy H 1 1.57 0.03 A 61 LYS HEx H 1 2.92 0.03 A 61 LYS HEy H 1 2.92 0.03 A 61 LYS HGx H 1 1.28 0.03 A 61 LYS HGy H 1 1.28 0.03 A 61 LYS C C 13 174.13 0.20 A 61 LYS CA C 13 54.86 0.20 A 61 LYS CB C 13 35.99 0.20 A 61 LYS CD C 13 29.64 0.20 A 61 LYS CE C 13 41.99 0.20 A 61 LYS CG C 13 24.16 0.20 A 61 LYS N N 15 116.36 0.20 A 62 VAL H H 1 8.40 0.03 A 62 VAL HA H 1 5.03 0.03 A 62 VAL HB H 1 1.90 0.03 A 62 VAL HGx% H 1 0.98 0.03 A 62 VAL HGy% H 1 0.76 0.03 A 62 VAL C C 13 176.29 0.20 A 62 VAL CA C 13 61.11 0.20 A 62 VAL CB C 13 32.76 0.20 A 62 VAL CGy C 13 22.51 0.20 A 62 VAL CGx C 13 21.77 0.20 A 62 VAL N N 15 121.75 0.20 A 63 VAL H H 1 8.96 0.03 A 63 VAL HA H 1 4.57 0.03 A 63 VAL HB H 1 1.98 0.03 A 63 VAL HGx% H 1 0.82 0.03 A 63 VAL HGy% H 1 0.91 0.03 A 63 VAL C C 13 174.27 0.20 A 63 VAL CA C 13 59.62 0.20 A 63 VAL CB C 13 35.54 0.20 A 63 VAL CGx C 13 20.18 0.20 A 63 VAL CGy C 13 21.94 0.20 A 63 VAL N N 15 124.44 0.20 A 64 SER H H 1 8.53 0.03 A 64 SER HA H 1 5.36 0.03 A 64 SER HBx H 1 3.73 0.03 A 64 SER HBy H 1 3.79 0.03 A 64 SER C C 13 174.10 0.20 A 64 SER CA C 13 57.24 0.20 A 64 SER CB C 13 63.14 0.20 A 64 SER N N 15 120.69 0.20 A 65 ILE H H 1 9.31 0.03 A 65 ILE HA H 1 4.39 0.03 A 65 ILE HB H 1 1.35 0.03 A 65 ILE HD1% H 1 0.16 0.03 A 65 ILE HG1y H 1 1.37 0.03 A 65 ILE HG1x H 1 0.88 0.03 A 65 ILE HG2% H 1 0.87 0.03 A 65 ILE C C 13 174.11 0.20 A 65 ILE CA C 13 60.62 0.20 A 65 ILE CB C 13 42.76 0.20 A 65 ILE CD1 C 13 13.99 0.20 A 65 ILE CG1 C 13 27.25 0.20 A 65 ILE CG2 C 13 16.80 0.20 A 65 ILE N N 15 127.77 0.20 A 66 SER H H 1 9.03 0.03 A 66 SER HA H 1 4.89 0.03 A 66 SER HBx H 1 3.93 0.03 A 66 SER HBy H 1 4.10 0.03 A 66 SER C C 13 177.07 0.20 A 66 SER CA C 13 59.30 0.20 A 66 SER CB C 13 63.44 0.20 A 66 SER N N 15 123.31 0.20 A 67 SER H H 1 8.70 0.03 A 67 SER HA H 1 3.80 0.03 A 67 SER HBx H 1 3.66 0.03 A 67 SER HBy H 1 3.66 0.03 A 67 SER C C 13 175.73 0.20 A 67 SER CA C 13 62.01 0.20 A 67 SER CB C 13 63.31 0.20 A 67 SER N N 15 121.05 0.20 A 68 GLU H H 1 8.67 0.03 A 68 GLU HA H 1 4.24 0.03 A 68 GLU HBx H 1 1.70 0.03 A 68 GLU HBy H 1 1.80 0.03 A 68 GLU C C 13 177.25 0.20 A 68 GLU CA C 13 58.48 0.20 A 68 GLU CB C 13 28.82 0.20 A 68 GLU N N 15 121.30 0.20 A 69 HIS H H 1 7.88 0.03 A 69 HIS HA H 1 4.86 0.03 A 69 HIS HBy H 1 3.49 0.03 A 69 HIS HBx H 1 2.89 0.03 A 69 HIS HD2 H 1 7.28 0.03 A 69 HIS HE1 H 1 7.71 0.03 A 69 HIS C C 13 173.15 0.20 A 69 HIS CA C 13 55.48 0.20 A 69 HIS CB C 13 31.38 0.20 A 69 HIS N N 15 116.92 0.20 A 70 LEU H H 1 7.79 0.03 A 70 LEU HA H 1 5.49 0.03 A 70 LEU HBy H 1 2.11 0.03 A 70 LEU HBx H 1 1.34 0.03 A 70 LEU HG H 1 0.78 0.03 A 70 LEU C C 13 175.11 0.20 A 70 LEU CA C 13 53.08 0.20 A 70 LEU CB C 13 46.95 0.20 A 70 LEU CDx C 13 23.44 0.20 A 70 LEU CDy C 13 23.44 0.20 A 70 LEU CG C 13 26.39 0.20 A 70 LEU N N 15 119.38 0.20 A 71 GLU H H 1 8.46 0.03 A 71 GLU HA H 1 4.68 0.03 A 71 GLU CA C 13 52.60 0.20 A 71 GLU N N 15 116.97 0.20 A 72 PRO HA H 1 4.60 0.03 A 72 PRO HBx H 1 1.86 0.03 A 72 PRO HBy H 1 1.86 0.03 A 72 PRO HDx H 1 1.62 0.03 A 72 PRO HDy H 1 3.07 0.03 A 72 PRO HGx H 1 1.61 0.03 A 72 PRO HGy H 1 1.61 0.03 A 72 PRO C C 13 177.12 0.20 A 72 PRO CA C 13 62.59 0.20 A 72 PRO CB C 13 30.94 0.20 A 72 PRO CD C 13 49.41 0.20 A 72 PRO CG C 13 26.62 0.20 A 73 ILE H H 1 7.63 0.03 A 73 ILE HA H 1 4.04 0.03 A 73 ILE HB H 1 1.57 0.03 A 73 ILE HD1% H 1 0.82 0.03 A 73 ILE HG1x H 1 1.99 0.03 A 73 ILE HG1y H 1 2.08 0.03 A 73 ILE HG2% H 1 0.87 0.03 A 73 ILE C C 13 176.47 0.20 A 73 ILE CA C 13 60.29 0.20 A 73 ILE CB C 13 38.19 0.20 A 73 ILE CD1 C 13 12.20 0.20 A 73 ILE CG1 C 13 27.49 0.20 A 73 ILE CG2 C 13 17.58 0.20 A 73 ILE N N 15 123.95 0.20 A 74 THR H H 1 8.61 0.03 A 74 THR HA H 1 4.55 0.03 A 74 THR HB H 1 3.89 0.03 A 74 THR HG2% H 1 1.37 0.03 A 74 THR CA C 13 61.15 0.20 A 74 THR CB C 13 69.78 0.20 A 74 THR CG2 C 13 21.70 0.20 A 74 THR N N 15 126.51 0.20 A 75 PRO HA H 1 4.54 0.03 A 75 PRO HBx H 1 1.87 0.03 A 75 PRO HBy H 1 1.94 0.03 A 75 PRO HDx H 1 3.83 0.03 A 75 PRO HDy H 1 3.89 0.03 A 75 PRO HGx H 1 1.69 0.03 A 75 PRO HGy H 1 1.75 0.03 A 75 PRO C C 13 173.65 0.20 A 75 PRO CA C 13 62.50 0.20 A 75 PRO CB C 13 33.86 0.20 A 75 PRO CD C 13 51.00 0.20 A 75 PRO CG C 13 27.40 0.20 A 76 THR H H 1 8.21 0.03 A 76 THR HA H 1 4.34 0.03 A 76 THR HB H 1 4.25 0.03 A 76 THR HG2% H 1 1.15 0.03 A 76 THR C C 13 173.60 0.20 A 76 THR CA C 13 59.30 0.20 A 76 THR CB C 13 71.19 0.20 A 76 THR CG2 C 13 21.14 0.20 A 76 THR N N 15 109.19 0.20 A 77 LYS H H 1 8.09 0.03 A 77 LYS HA H 1 3.40 0.03 A 77 LYS HBx H 1 1.68 0.03 A 77 LYS HBy H 1 1.68 0.03 A 77 LYS HDx H 1 1.75 0.03 A 77 LYS HDy H 1 1.75 0.03 A 77 LYS HEx H 1 3.02 0.03 A 77 LYS HEy H 1 3.02 0.03 A 77 LYS HGy H 1 1.43 0.03 A 77 LYS HGx H 1 1.30 0.03 A 77 LYS C C 13 175.92 0.20 A 77 LYS CA C 13 59.60 0.20 A 77 LYS CB C 13 32.95 0.20 A 77 LYS CD C 13 30.12 0.20 A 77 LYS CE C 13 42.30 0.20 A 77 LYS CG C 13 24.68 0.20 A 77 LYS N N 15 120.06 0.20 A 78 ASN H H 1 9.17 0.03 A 78 ASN HA H 1 4.26 0.03 A 78 ASN HBx H 1 3.02 0.03 A 78 ASN HBy H 1 3.38 0.03 A 78 ASN C C 13 175.08 0.20 A 78 ASN CA C 13 55.86 0.20 A 78 ASN CB C 13 37.16 0.20 A 78 ASN N N 15 117.05 0.20 A 79 ASN H H 1 8.21 0.03 A 79 ASN HA H 1 4.79 0.03 A 79 ASN HBx H 1 2.91 0.03 A 79 ASN HBy H 1 2.91 0.03 A 79 ASN HD21 H 1 7.26 0.03 A 79 ASN HD22 H 1 6.87 0.03 A 79 ASN C C 13 175.28 0.20 A 79 ASN CA C 13 53.47 0.20 A 79 ASN CB C 13 39.99 0.20 A 79 ASN N N 15 116.75 0.20 A 79 ASN ND2 N 15 110.85 0.20 A 80 LYS H H 1 8.63 0.03 A 80 LYS HA H 1 4.87 0.03 A 80 LYS HBx H 1 1.82 0.03 A 80 LYS HBy H 1 1.94 0.03 A 80 LYS HDx H 1 1.81 0.03 A 80 LYS HDy H 1 1.81 0.03 A 80 LYS HEx H 1 3.02 0.03 A 80 LYS HEy H 1 3.02 0.03 A 80 LYS HGy H 1 1.77 0.03 A 80 LYS HGx H 1 1.50 0.03 A 80 LYS C C 13 176.70 0.20 A 80 LYS CA C 13 57.10 0.20 A 80 LYS CB C 13 32.82 0.20 A 80 LYS CD C 13 29.18 0.20 A 80 LYS CE C 13 41.63 0.20 A 80 LYS CG C 13 25.61 0.20 A 80 LYS N N 15 121.64 0.20 A 81 VAL H H 1 8.90 0.03 A 81 VAL HA H 1 5.54 0.03 A 81 VAL HB H 1 2.22 0.03 A 81 VAL HGx% H 1 0.88 0.03 A 81 VAL HGy% H 1 0.55 0.03 A 81 VAL C C 13 173.30 0.20 A 81 VAL CA C 13 58.27 0.20 A 81 VAL CB C 13 36.56 0.20 A 81 VAL CGy C 13 23.48 0.20 A 81 VAL CGx C 13 18.39 0.20 A 81 VAL N N 15 115.30 0.20 A 82 LYS H H 1 8.45 0.03 A 82 LYS HA H 1 5.02 0.03 A 82 LYS HBx H 1 1.42 0.03 A 82 LYS HBy H 1 1.42 0.03 A 82 LYS HEx H 1 2.92 0.03 A 82 LYS HEy H 1 2.92 0.03 A 82 LYS C C 13 174.90 0.20 A 82 LYS CA C 13 53.64 0.20 A 82 LYS CB C 13 38.06 0.20 A 82 LYS CE C 13 42.40 0.20 A 82 LYS N N 15 120.83 0.20 A 83 VAL H H 1 9.22 0.03 A 83 VAL HA H 1 4.28 0.03 A 83 VAL HB H 1 2.28 0.03 A 83 VAL HGx% H 1 1.06 0.03 A 83 VAL HGy% H 1 0.79 0.03 A 83 VAL C C 13 177.70 0.20 A 83 VAL CA C 13 63.92 0.20 A 83 VAL CB C 13 30.70 0.20 A 83 VAL CGy C 13 22.50 0.20 A 83 VAL CGx C 13 21.31 0.20 A 83 VAL N N 15 128.21 0.20 A 84 ILE H H 1 9.07 0.03 A 84 ILE HA H 1 4.70 0.03 A 84 ILE HB H 1 2.99 0.03 A 84 ILE HD1% H 1 0.86 0.03 A 84 ILE HG1x H 1 0.86 0.03 A 84 ILE HG1y H 1 1.35 0.03 A 84 ILE HG2% H 1 0.97 0.03 A 84 ILE C C 13 175.05 0.20 A 84 ILE CA C 13 61.98 0.20 A 84 ILE CB C 13 38.14 0.20 A 84 ILE CD1 C 13 13.29 0.20 A 84 ILE CG1 C 13 25.09 0.20 A 84 ILE CG2 C 13 18.52 0.20 A 84 ILE N N 15 121.94 0.20 A 85 LEU H H 1 7.28 0.03 A 85 LEU HA H 1 4.59 0.03 A 85 LEU HBx H 1 0.86 0.03 A 85 LEU HBy H 1 1.01 0.03 A 85 LEU HDx% H 1 0.88 0.03 A 85 LEU HDy% H 1 0.88 0.03 A 85 LEU HG H 1 0.83 0.03 A 85 LEU C C 13 175.25 0.20 A 85 LEU CA C 13 53.58 0.20 A 85 LEU CB C 13 48.78 0.20 A 85 LEU CDx C 13 23.56 0.20 A 85 LEU CDy C 13 23.56 0.20 A 85 LEU CG C 13 25.51 0.20 A 85 LEU N N 15 121.41 0.20 A 86 GLY H H 1 8.25 0.03 A 86 GLY HAx H 1 3.64 0.03 A 86 GLY HAy H 1 4.11 0.03 A 86 GLY C C 13 175.37 0.20 A 86 GLY CA C 13 44.45 0.20 A 86 GLY N N 15 105.00 0.20 A 87 GLU H H 1 8.58 0.03 A 87 GLU HA H 1 4.01 0.03 A 87 GLU HBx H 1 2.01 0.03 A 87 GLU HBy H 1 2.01 0.03 A 87 GLU C C 13 177.43 0.20 A 87 GLU CA C 13 58.77 0.20 A 87 GLU CB C 13 29.79 0.20 A 87 GLU N N 15 119.62 0.20 A 88 ASP H H 1 9.07 0.03 A 88 ASP HA H 1 4.78 0.03 A 88 ASP HBx H 1 2.65 0.03 A 88 ASP HBy H 1 2.92 0.03 A 88 ASP C C 13 174.04 0.20 A 88 ASP CA C 13 54.43 0.20 A 88 ASP CB C 13 40.58 0.20 A 88 ASP N N 15 118.18 0.20 A 89 ARG H H 1 7.12 0.03 A 89 ARG HA H 1 3.40 0.03 A 89 ARG HBx H 1 1.62 0.03 A 89 ARG HBy H 1 1.62 0.03 A 89 ARG HDx H 1 3.13 0.03 A 89 ARG HDy H 1 3.26 0.03 A 89 ARG HGx H 1 1.49 0.03 A 89 ARG HGy H 1 1.49 0.03 A 89 ARG C C 13 176.62 0.20 A 89 ARG CA C 13 58.74 0.20 A 89 ARG CB C 13 30.21 0.20 A 89 ARG CD C 13 43.56 0.20 A 89 ARG CG C 13 27.64 0.20 A 89 ARG N N 15 118.25 0.20 A 90 GLU H H 1 9.16 0.03 A 90 GLU HA H 1 3.55 0.03 A 90 GLU HBx H 1 2.26 0.03 A 90 GLU HBy H 1 2.71 0.03 A 90 GLU HGx H 1 2.11 0.03 A 90 GLU HGy H 1 2.36 0.03 A 90 GLU C C 13 174.91 0.20 A 90 GLU CA C 13 60.35 0.20 A 90 GLU CB C 13 27.90 0.20 A 90 GLU CG C 13 37.62 0.20 A 90 GLU N N 15 116.79 0.20 A 91 ALA H H 1 8.34 0.03 A 91 ALA HA H 1 4.53 0.03 A 91 ALA HB% H 1 1.51 0.03 A 91 ALA C C 13 177.62 0.20 A 91 ALA CA C 13 52.88 0.20 A 91 ALA CB C 13 20.02 0.20 A 91 ALA N N 15 123.06 0.20 A 92 THR H H 1 7.89 0.03 A 92 THR HA H 1 5.55 0.03 A 92 THR HB H 1 4.55 0.03 A 92 THR HG2% H 1 1.21 0.03 A 92 THR C C 13 176.10 0.20 A 92 THR CA C 13 59.60 0.20 A 92 THR CB C 13 71.74 0.20 A 92 THR CG2 C 13 21.10 0.20 A 92 THR N N 15 106.95 0.20 A 93 GLY H H 1 8.77 0.03 A 93 GLY HAx H 1 4.10 0.03 A 93 GLY HAy H 1 4.48 0.03 A 93 GLY CA C 13 46.77 0.20 A 93 GLY N N 15 109.15 0.20 A 94 VAL H H 1 8.58 0.03 A 94 VAL HA H 1 4.78 0.03 A 94 VAL HB H 1 1.86 0.03 A 94 VAL HGx% H 1 0.81 0.03 A 94 VAL C C 13 174.03 0.20 A 94 VAL CA C 13 61.28 0.20 A 94 VAL CB C 13 35.74 0.20 A 94 VAL CGx C 13 20.58 0.20 A 94 VAL CGy C 13 22.44 0.20 A 94 VAL N N 15 122.40 0.20 A 95 LEU H H 1 8.50 0.03 A 95 LEU HA H 1 4.44 0.03 A 95 LEU HBy H 1 2.15 0.03 A 95 LEU HBx H 1 1.11 0.03 A 95 LEU HDx% H 1 0.75 0.03 A 95 LEU HDy% H 1 0.52 0.03 A 95 LEU HG H 1 1.53 0.03 A 95 LEU C C 13 174.43 0.20 A 95 LEU CA C 13 54.49 0.20 A 95 LEU CB C 13 42.43 0.20 A 95 LEU CDx C 13 24.50 0.20 A 95 LEU CDy C 13 26.23 0.20 A 95 LEU CG C 13 27.56 0.20 A 95 LEU N N 15 128.91 0.20 A 96 LEU H H 1 9.38 0.03 A 96 LEU HA H 1 4.40 0.03 A 96 LEU HBx H 1 1.49 0.03 A 96 LEU HBy H 1 1.66 0.03 A 96 LEU HDy% H 1 0.80 0.03 A 96 LEU C C 13 177.97 0.20 A 96 LEU CA C 13 56.44 0.20 A 96 LEU CB C 13 43.41 0.20 A 96 LEU CDy C 13 22.40 0.20 A 96 LEU CDx C 13 22.18 0.20 A 96 LEU CG C 13 26.50 0.20 A 96 LEU N N 15 129.57 0.20 A 97 SER H H 1 7.46 0.03 A 97 SER HA H 1 4.41 0.03 A 97 SER HBx H 1 3.71 0.03 A 97 SER HBy H 1 3.71 0.03 A 97 SER C C 13 171.41 0.20 A 97 SER CA C 13 57.53 0.20 A 97 SER CB C 13 64.26 0.20 A 97 SER N N 15 108.22 0.20 A 98 ILE H H 1 8.49 0.03 A 98 ILE HA H 1 4.61 0.03 A 98 ILE HB H 1 1.62 0.03 A 98 ILE HD1% H 1 0.86 0.03 A 98 ILE HG1x H 1 1.59 0.03 A 98 ILE HG1y H 1 1.59 0.03 A 98 ILE HG2% H 1 0.84 0.03 A 98 ILE C C 13 174.83 0.20 A 98 ILE CA C 13 61.05 0.20 A 98 ILE CB C 13 41.43 0.20 A 98 ILE CD1 C 13 14.57 0.20 A 98 ILE CG1 C 13 28.95 0.20 A 98 ILE CG2 C 13 18.49 0.20 A 98 ILE N N 15 122.40 0.20 A 99 ASP H H 1 8.98 0.03 A 99 ASP HA H 1 4.81 0.03 A 99 ASP HBx H 1 2.40 0.03 A 99 ASP HBy H 1 2.70 0.03 A 99 ASP C C 13 175.85 0.20 A 99 ASP CA C 13 52.80 0.20 A 99 ASP CB C 13 41.95 0.20 A 99 ASP N N 15 128.91 0.20 A 100 GLY H H 1 8.80 0.03 A 100 GLY HAx H 1 3.55 0.03 A 100 GLY HAy H 1 4.00 0.03 A 100 GLY C C 13 174.17 0.20 A 100 GLY CA C 13 47.36 0.20 A 100 GLY N N 15 115.30 0.20 A 101 GLU H H 1 8.82 0.03 A 101 GLU CA C 13 56.10 0.20 A 101 GLU CB C 13 30.51 0.20 A 101 GLU N N 15 126.04 0.20 A 102 ASP H H 1 7.92 0.03 A 102 ASP HA H 1 5.04 0.03 A 102 ASP HBx H 1 2.28 0.03 A 102 ASP HBy H 1 2.67 0.03 A 102 ASP CA C 13 53.90 0.20 A 102 ASP N N 15 119.12 0.20 A 103 GLY H H 1 9.33 0.03 A 103 GLY HAy H 1 4.82 0.03 A 103 GLY HAx H 1 3.06 0.03 A 103 GLY C C 13 170.90 0.20 A 103 GLY CA C 13 44.70 0.20 A 103 GLY N N 15 108.38 0.20 A 104 ILE H H 1 8.33 0.03 A 104 ILE HA H 1 4.55 0.03 A 104 ILE HB H 1 1.81 0.03 A 104 ILE HD1% H 1 0.73 0.03 A 104 ILE HG1x H 1 1.38 0.03 A 104 ILE HG1y H 1 1.38 0.03 A 104 ILE HG2% H 1 0.74 0.03 A 104 ILE C C 13 174.63 0.20 A 104 ILE CA C 13 61.12 0.20 A 104 ILE CB C 13 37.17 0.20 A 104 ILE CD1 C 13 13.22 0.20 A 104 ILE CG1 C 13 28.45 0.20 A 104 ILE CG2 C 13 18.90 0.20 A 104 ILE N N 15 123.00 0.20 A 105 VAL H H 1 9.26 0.03 A 105 VAL HA H 1 4.75 0.03 A 105 VAL HB H 1 1.91 0.03 A 105 VAL HGx% H 1 0.56 0.03 A 105 VAL HGy% H 1 0.78 0.03 A 105 VAL C C 13 174.84 0.20 A 105 VAL CA C 13 59.85 0.20 A 105 VAL CB C 13 34.76 0.20 A 105 VAL CGx C 13 22.73 0.20 A 105 VAL CGy C 13 23.30 0.20 A 105 VAL N N 15 128.55 0.20 A 106 ARG H H 1 8.78 0.03 A 106 ARG HA H 1 4.77 0.03 A 106 ARG HBx H 1 1.79 0.03 A 106 ARG HBy H 1 1.79 0.03 A 106 ARG HDx H 1 3.17 0.03 A 106 ARG HDy H 1 3.17 0.03 A 106 ARG HGx H 1 1.63 0.03 A 106 ARG HGy H 1 1.63 0.03 A 106 ARG C C 13 176.98 0.20 A 106 ARG CA C 13 54.49 0.20 A 106 ARG CB C 13 31.10 0.20 A 106 ARG CD C 13 43.54 0.20 A 106 ARG CG C 13 26.95 0.20 A 106 ARG N N 15 125.59 0.20 A 107 MET H H 1 9.34 0.03 A 107 MET HA H 1 4.75 0.03 A 107 MET HBx H 1 2.44 0.03 A 107 MET HBy H 1 2.44 0.03 A 107 MET HE% H 1 1.81 0.03 A 107 MET HGx H 1 2.63 0.03 A 107 MET HGy H 1 2.79 0.03 A 107 MET C C 13 177.18 0.20 A 107 MET CA C 13 54.61 0.20 A 107 MET CB C 13 30.07 0.20 A 107 MET CE C 13 16.20 0.20 A 107 MET CG C 13 32.21 0.20 A 107 MET N N 15 130.56 0.20 A 108 ASP H H 1 8.95 0.03 A 108 ASP HA H 1 4.41 0.03 A 108 ASP HBx H 1 2.42 0.03 A 108 ASP HBy H 1 2.68 0.03 A 108 ASP C C 13 178.64 0.20 A 108 ASP CA C 13 57.11 0.20 A 108 ASP CB C 13 40.98 0.20 A 108 ASP N N 15 123.22 0.20 A 109 LEU H H 1 8.62 0.03 A 109 LEU HA H 1 4.11 0.03 A 109 LEU HBx H 1 1.54 0.03 A 109 LEU HBy H 1 1.71 0.03 A 109 LEU HDx% H 1 0.97 0.03 A 109 LEU HDy% H 1 0.93 0.03 A 109 LEU HG H 1 1.54 0.03 A 109 LEU C C 13 178.00 0.20 A 109 LEU CA C 13 58.17 0.20 A 109 LEU CB C 13 42.41 0.20 A 109 LEU CDx C 13 23.80 0.20 A 109 LEU CDy C 13 24.90 0.20 A 109 LEU CG C 13 27.41 0.20 A 109 LEU N N 15 118.21 0.20 A 110 ASP H H 1 7.42 0.03 A 110 ASP HA H 1 4.69 0.03 A 110 ASP HBx H 1 2.49 0.03 A 110 ASP HBy H 1 3.02 0.03 A 110 ASP C C 13 176.15 0.20 A 110 ASP CA C 13 52.85 0.20 A 110 ASP CB C 13 41.40 0.20 A 110 ASP N N 15 113.37 0.20 A 111 GLU H H 1 7.98 0.03 A 111 GLU HA H 1 4.06 0.03 A 111 GLU HBx H 1 2.64 0.03 A 111 GLU HBy H 1 2.92 0.03 A 111 GLU HGx H 1 2.20 0.03 A 111 GLU HGy H 1 2.20 0.03 A 111 GLU C C 13 175.30 0.20 A 111 GLU CA C 13 58.15 0.20 A 111 GLU CB C 13 27.58 0.20 A 111 GLU CG C 13 36.85 0.20 A 111 GLU N N 15 113.81 0.20 A 112 GLN H H 1 7.73 0.03 A 112 GLN HA H 1 4.22 0.03 A 112 GLN HBx H 1 2.24 0.03 A 112 GLN HBy H 1 2.24 0.03 A 112 GLN HGx H 1 2.22 0.03 A 112 GLN HGy H 1 2.22 0.03 A 112 GLN C C 13 175.55 0.20 A 112 GLN CA C 13 56.11 0.20 A 112 GLN CB C 13 30.33 0.20 A 112 GLN CG C 13 36.74 0.20 A 112 GLN N N 15 118.10 0.20 A 113 LEU H H 1 8.52 0.03 A 113 LEU HA H 1 5.19 0.03 A 113 LEU HBx H 1 1.10 0.03 A 113 LEU HBy H 1 1.73 0.03 A 113 LEU HDx% H 1 0.70 0.03 A 113 LEU HDy% H 1 0.82 0.03 A 113 LEU HG H 1 1.66 0.03 A 113 LEU C C 13 177.29 0.20 A 113 LEU CA C 13 54.02 0.20 A 113 LEU CB C 13 42.79 0.20 A 113 LEU CDx C 13 23.80 0.20 A 113 LEU CDy C 13 25.10 0.20 A 113 LEU CG C 13 27.10 0.20 A 113 LEU N N 15 122.57 0.20 A 114 LYS H H 1 9.22 0.03 A 114 LYS HA H 1 4.59 0.03 A 114 LYS HBx H 1 1.58 0.03 A 114 LYS HBy H 1 1.58 0.03 A 114 LYS HDx H 1 1.60 0.03 A 114 LYS HDy H 1 1.60 0.03 A 114 LYS HEx H 1 3.14 0.03 A 114 LYS HEy H 1 3.14 0.03 A 114 LYS HGx H 1 0.91 0.03 A 114 LYS HGy H 1 0.91 0.03 A 114 LYS C C 13 174.08 0.20 A 114 LYS CA C 13 55.03 0.20 A 114 LYS CB C 13 36.78 0.20 A 114 LYS CD C 13 29.18 0.20 A 114 LYS CE C 13 43.76 0.20 A 114 LYS CG C 13 25.65 0.20 A 114 LYS N N 15 123.90 0.20 A 115 ILE H H 1 8.33 0.03 A 115 ILE HA H 1 4.92 0.03 A 115 ILE HB H 1 1.66 0.03 A 115 ILE HD1% H 1 0.81 0.03 A 115 ILE HG1x H 1 0.92 0.03 A 115 ILE HG1y H 1 1.52 0.03 A 115 ILE HG2% H 1 0.74 0.03 A 115 ILE C C 13 176.13 0.20 A 115 ILE CA C 13 60.58 0.20 A 115 ILE CB C 13 38.16 0.20 A 115 ILE CD1 C 13 13.56 0.20 A 115 ILE CG1 C 13 28.00 0.20 A 115 ILE CG2 C 13 17.51 0.20 A 115 ILE N N 15 122.58 0.20 A 116 LEU H H 1 9.02 0.03 A 116 LEU HA H 1 4.79 0.03 A 116 LEU HBx H 1 1.46 0.03 A 116 LEU HBy H 1 1.46 0.03 A 116 LEU HDx% H 1 0.84 0.03 A 116 LEU HDy% H 1 1.02 0.03 A 116 LEU HG H 1 1.54 0.03 A 116 LEU C C 13 174.94 0.20 A 116 LEU CA C 13 53.15 0.20 A 116 LEU CB C 13 46.87 0.20 A 116 LEU CDy C 13 26.40 0.20 A 116 LEU CDx C 13 25.38 0.20 A 116 LEU CG C 13 27.80 0.20 A 116 LEU N N 15 129.60 0.20 A 117 ASN H H 1 8.22 0.03 A 117 ASN HA H 1 4.78 0.03 A 117 ASN HBx H 1 1.75 0.03 A 117 ASN HBy H 1 2.29 0.03 A 117 ASN C C 13 177.00 0.20 A 117 ASN CA C 13 54.39 0.20 A 117 ASN CB C 13 39.30 0.20 A 117 ASN N N 15 121.77 0.20 A 118 LEU H H 1 8.95 0.03 A 118 LEU HA H 1 3.77 0.03 A 118 LEU HBx H 1 1.50 0.03 A 118 LEU HBy H 1 1.50 0.03 A 118 LEU HDx% H 1 0.75 0.03 A 118 LEU HDy% H 1 0.75 0.03 A 118 LEU HG H 1 1.54 0.03 A 118 LEU C C 13 179.34 0.20 A 118 LEU CA C 13 58.20 0.20 A 118 LEU CB C 13 42.61 0.20 A 118 LEU CDx C 13 24.90 0.20 A 118 LEU CDy C 13 24.90 0.20 A 118 LEU CG C 13 27.58 0.20 A 118 LEU N N 15 126.72 0.20 A 119 ARG H H 1 8.57 0.03 A 119 ARG HA H 1 4.22 0.03 A 119 ARG HBx H 1 1.78 0.03 A 119 ARG HBy H 1 1.78 0.03 A 119 ARG HDx H 1 3.14 0.03 A 119 ARG HDy H 1 3.14 0.03 A 119 ARG HGx H 1 1.58 0.03 A 119 ARG HGy H 1 1.58 0.03 A 119 ARG C C 13 176.25 0.20 A 119 ARG CA C 13 57.38 0.20 A 119 ARG CB C 13 29.21 0.20 A 119 ARG CD C 13 43.54 0.20 A 119 ARG CG C 13 27.33 0.20 A 119 ARG N N 15 115.31 0.20 A 120 PHE H H 1 8.24 0.03 A 120 PHE HA H 1 4.75 0.03 A 120 PHE HBx H 1 3.47 0.03 A 120 PHE HBy H 1 3.84 0.03 A 120 PHE HD1 H 1 7.12 0.03 A 120 PHE HD2 H 1 7.12 0.03 A 120 PHE HE1 H 1 7.32 0.03 A 120 PHE HE2 H 1 7.32 0.03 A 120 PHE HZ H 1 7.26 0.03 A 120 PHE C C 13 175.30 0.20 A 120 PHE CA C 13 55.01 0.20 A 120 PHE CB C 13 36.88 0.20 A 120 PHE CD1 C 13 130.64 0.20 A 120 PHE CE1 C 13 131.11 0.20 A 120 PHE CZ C 13 129.31 0.20 A 120 PHE N N 15 116.21 0.20 A 121 LEU H H 1 7.73 0.03 A 121 LEU HA H 1 5.00 0.03 A 121 LEU HBx H 1 1.07 0.03 A 121 LEU HBy H 1 2.09 0.03 A 121 LEU HDx% H 1 0.79 0.03 A 121 LEU HDy% H 1 0.78 0.03 A 121 LEU C C 13 174.17 0.20 A 121 LEU CA C 13 53.73 0.20 A 121 LEU CB C 13 45.60 0.20 A 121 LEU CDx C 13 23.80 0.20 A 121 LEU CDy C 13 26.80 0.20 A 121 LEU N N 15 119.44 0.20 A 122 GLY H H 1 9.36 0.03 A 122 GLY HAy H 1 4.83 0.03 A 122 GLY HAx H 1 3.34 0.03 A 122 GLY C C 13 172.47 0.20 A 122 GLY CA C 13 42.72 0.20 A 122 GLY N N 15 108.35 0.20 A 123 LYS H H 1 10.48 0.03 A 123 LYS HA H 1 4.41 0.03 A 123 LYS HBx H 1 1.53 0.03 A 123 LYS HBy H 1 1.53 0.03 A 123 LYS C C 13 175.58 0.20 A 123 LYS CA C 13 56.39 0.20 A 123 LYS CB C 13 36.00 0.20 A 123 LYS CD C 13 27.15 0.20 A 123 LYS N N 15 125.38 0.20 A 124 LEU H H 1 8.17 0.03 A 124 LEU HA H 1 4.80 0.03 A 124 LEU HBx H 1 1.40 0.03 A 124 LEU HBy H 1 1.57 0.03 A 124 LEU C C 13 177.36 0.20 A 124 LEU CA C 13 54.84 0.20 A 124 LEU CB C 13 43.48 0.20 A 124 LEU CDx C 13 25.86 0.20 A 124 LEU CDy C 13 25.86 0.20 A 124 LEU CG C 13 29.30 0.20 A 124 LEU N N 15 127.32 0.20 A 125 LEU H H 1 8.33 0.03 A 125 LEU HA H 1 4.39 0.03 A 125 LEU HBx H 1 1.50 0.03 A 125 LEU HBy H 1 1.73 0.03 A 125 LEU HDx% H 1 0.91 0.03 A 125 LEU HDy% H 1 0.91 0.03 A 125 LEU HG H 1 1.60 0.03 A 125 LEU C C 13 175.94 0.20 A 125 LEU CA C 13 55.36 0.20 A 125 LEU CB C 13 43.70 0.20 A 125 LEU CDx C 13 24.77 0.20 A 125 LEU CDy C 13 24.77 0.20 A 125 LEU CG C 13 27.33 0.20 A 125 LEU N N 15 122.76 0.20 A 126 GLU H H 1 8.58 0.03 A 126 GLU HA H 1 4.27 0.03 A 126 GLU HBx H 1 1.96 0.03 A 126 GLU HBy H 1 2.12 0.03 A 126 GLU HGx H 1 2.29 0.03 A 126 GLU HGy H 1 2.29 0.03 A 126 GLU C C 13 175.14 0.20 A 126 GLU CA C 13 56.74 0.20 A 126 GLU CB C 13 30.70 0.20 A 126 GLU CG C 13 36.78 0.20 A 126 GLU N N 15 123.66 0.20 A 127 ALA H H 1 7.94 0.03 A 127 ALA HA H 1 4.13 0.03 A 127 ALA HB% H 1 1.32 0.03 A 127 ALA CA C 13 53.80 0.20 A 127 ALA CB C 13 20.48 0.20 A 127 ALA N N 15 129.85 0.20 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 91 ALA H A 83 VAL H 1.0 0.0 4.0 2 2 A 91 ALA H A 83 VAL H 1.0 0.0 6.0 3 3 A 82 LYS H A 122 GLY H 1.0 0.0 4.0 4 4 A 80 LYS H A 124 LEU H 1.0 0.0 5.0 5 5 A 42 GLY H A 26 VAL H 1.0 0.0 6.0 6 6 A 95 LEU H A 81 VAL H 1.0 0.0 6.0 7 7 A 95 LEU H A 79 ASN H 1.0 0.0 6.0 8 8 A 46 SER H A 53 SER H 1.0 0.0 6.0 9 9 A 71 GLU H A 27 LYS H 1.0 0.0 3.0 10 10 A 42 GLY H A 27 LYS HA 1.0 0.0 6.0 11 11 A 26 VAL H A 43 VAL HA 1.0 0.0 6.0 12 12 A 93 GLY H A 82 LYS HA 1.0 0.0 6.0 13 13 A 122 GLY H A 83 VAL HA 1.0 0.0 4.0 14 14 A 84 ILE H A 121 LEU HA 1.0 0.0 4.0 15 15 A 46 SER H A 52 CYS HA 1.0 0.0 6.0 16 16 A 54 VAL HGy% A 65 ILE HD1% 1.0 0.0 5.0 17 17 A 65 ILE HD1% A 28 VAL HGy% 1.0 0.0 3.0 18 18 A 65 ILE HD1% A 63 VAL HGy% 1.0 0.0 6.0 19 19 A 65 ILE HD1% A 63 VAL HGx% 1.0 0.0 6.0 20 20 A 47 VAL HGx% A 20 VAL HGx% 1.0 0.0 6.0 21 21 A 55 TYR HD% A 56 LEU H 1.0 0.0 6.0 22 22 A 55 TYR HD% A 55 TYR HBx 1.0 0.0 6.0 23 23 A 65 ILE HD1% A 32 TYR HD% 1.0 0.0 5.0 24 24 A 120 PHE HE% A 19 TRP HBx 1.0 0.0 6.0 25 25 A 41 THR HB A 73 ILE HD1% 1.0 0.0 5.0 26 26 A 67 SER H A 20 VAL HGy% 1.0 0.0 6.0 27 26 A 67 SER H A 20 VAL HGx% 1.0 0.0 6.0 28 27 A 21 THR H A 20 VAL H 1.0 0.0 6.0 29 28 A 92 THR H A 92 THR HG2% 1.0 0.0 3.0 30 29 A 93 GLY H A 92 THR HB 1.0 0.0 3.0 31 30 A 65 ILE HD1% A 32 TYR HE% 1.0 0.0 6.0 32 31 A 19 TRP HH2 A 20 VAL HGy% 1.0 0.0 6.0 33 31 A 20 VAL HGx% A 19 TRP HH2 1.0 0.0 6.0 34 32 A 82 LYS H A 81 VAL HA 1.0 0.0 3.0 35 33 A 83 VAL H A 82 LYS HA 1.0 0.0 3.0 36 34 A 83 VAL HA A 84 ILE H 1.0 0.0 3.0 37 35 A 85 LEU H A 84 ILE HA 1.0 0.0 4.0 38 36 A 81 VAL H A 80 LYS HA 1.0 0.0 3.0 39 37 A 80 LYS H A 79 ASN H 1.0 0.0 5.0 40 38 A 79 ASN H A 78 ASN HA 1.0 0.0 4.0 41 39 A 79 ASN H A 78 ASN H 1.0 0.0 3.0 42 40 A 124 LEU H A 81 VAL HA 1.0 0.0 3.0 43 41 A 124 LEU H A 123 LYS HA 1.0 0.0 3.0 44 42 A 123 LYS H A 122 GLY HAy 1.0 0.0 3.0 45 42 A 123 LYS H A 122 GLY HAx 1.0 0.0 3.0 46 43 A 122 GLY H A 121 LEU HA 1.0 0.0 3.0 47 44 A 121 LEU H A 120 PHE HA 1.0 0.0 4.0 48 45 A 96 LEU H A 95 LEU HA 1.0 0.0 3.0 49 46 A 95 LEU H A 94 VAL HA 1.0 0.0 3.0 50 47 A 92 THR H A 91 ALA HA 1.0 0.0 3.0 51 48 A 54 VAL H A 53 SER HA 1.0 0.0 3.0 52 49 A 53 SER H A 52 CYS HA 1.0 0.0 3.0 53 50 A 52 CYS H A 51 MET HA 1.0 0.0 3.0 54 51 A 46 SER H A 45 ARG HA 1.0 0.0 4.0 55 52 A 45 ARG H A 44 ILE HA 1.0 0.0 3.0 56 53 A 43 VAL HA A 44 ILE H 1.0 0.0 3.0 57 54 A 27 LYS HA A 28 VAL H 1.0 0.0 3.0 58 55 A 27 LYS H A 26 VAL HA 1.0 0.0 3.0 59 56 A 26 VAL H A 25 GLN HA 1.0 0.0 3.0 60 57 A 24 ILE H A 23 ASP HA 1.0 0.0 4.0 61 58 A 24 ILE H A 23 ASP H 1.0 0.0 5.0 62 59 A 74 THR H A 73 ILE HA 1.0 0.0 3.0 63 60 A 71 GLU H A 70 LEU HA 1.0 0.0 3.0 64 61 A 71 GLU H A 26 VAL HA 1.0 0.0 6.0 65 62 A 70 LEU H A 69 HIS HA 1.0 0.0 4.0 66 63 A 44 ILE HG2% A 20 VAL HGy% 1.0 0.0 6.0 67 63 A 20 VAL HGx% A 44 ILE HG2% 1.0 0.0 6.0 68 64 A 23 ASP H A 44 ILE HG2% 1.0 0.0 6.0 69 65 A 21 THR H A 44 ILE HG2% 1.0 0.0 6.0 70 66 A 54 VAL HGy% A 63 VAL HGy% 1.0 0.0 6.0 71 67 A 65 ILE HD1% A 65 ILE HG2% 1.0 0.0 6.0 72 68 A 28 VAL HA A 65 ILE HG1y 1.0 0.0 6.0 73 68 A 65 ILE HG1x A 28 VAL HA 1.0 0.0 6.0 74 69 A 54 VAL HGy% A 65 ILE HG1y 1.0 0.0 6.0 75 69 A 54 VAL HGy% A 65 ILE HG1x 1.0 0.0 6.0 76 70 A 37 VAL HGx% A 65 ILE HG1y 1.0 0.0 6.0 77 70 A 65 ILE HG1x A 37 VAL HGx% 1.0 0.0 6.0 78 71 A 28 VAL HGy% A 65 ILE HG1y 1.0 0.0 6.0 79 71 A 28 VAL HGy% A 65 ILE HG1x 1.0 0.0 6.0 80 72 A 47 VAL HGx% A 20 VAL HGy% 1.0 0.0 6.0 81 73 A 47 VAL HGy% A 20 VAL HGy% 1.0 0.0 6.0 82 74 A 44 ILE HG2% A 20 VAL HGy% 1.0 0.0 6.0 83 75 A 44 ILE HD1% A 20 VAL HGy% 1.0 0.0 6.0 84 76 A 24 ILE HD1% A 20 VAL HGy% 1.0 0.0 6.0 85 77 A 98 ILE HD1% A 95 LEU HDy% 1.0 0.0 6.0 86 77 A 98 ILE HD1% A 95 LEU HDx% 1.0 0.0 6.0 87 78 A 120 PHE HD% A 116 LEU HDy% 1.0 0.0 6.0 88 78 A 120 PHE HD% A 116 LEU HDx% 1.0 0.0 6.0 89 79 A 20 VAL H A 19 TRP HD1 1.0 0.0 6.0 90 80 A 19 TRP HD1 A 20 VAL HGy% 1.0 0.0 6.0 91 80 A 20 VAL HGx% A 19 TRP HD1 1.0 0.0 6.0 92 81 A 32 TYR HD% A 69 HIS HD2 1.0 0.0 6.0 93 82 A 55 TYR HE% A 60 GLU H 1.0 0.0 6.0 94 83 A 70 LEU H A 19 TRP HZ2 1.0 0.0 6.0 95 84 A 19 TRP HD1 A 17 SER HA 1.0 0.0 5.0 96 85 A 17 SER HA A 19 TRP HE1 1.0 0.0 5.0 97 86 A 19 TRP HH2 A 70 LEU HBx 1.0 0.0 4.0 98 87 A 19 TRP HH2 A 70 LEU HBy 1.0 0.0 5.0 99 88 A 55 TYR HE% A 57 LYS HA 1.0 0.0 4.0 100 89 A 60 GLU H A 57 LYS HA 1.0 0.0 5.0 101 90 A 60 GLU H A 61 LYS H 1.0 0.0 3.0 102 91 A 60 GLU H A 59 SER H 1.0 0.0 3.0 103 92 A 27 LYS H A 73 ILE HD1% 1.0 0.0 5.0 104 93 A 73 ILE HD1% A 28 VAL H 1.0 0.0 6.0 105 94 A 26 VAL H A 73 ILE HD1% 1.0 0.0 6.0 106 95 A 42 GLY H A 73 ILE HD1% 1.0 0.0 5.0 107 96 A 27 LYS H A 73 ILE H 1.0 0.0 5.0 108 97 A 98 ILE HD1% A 77 LYS H 1.0 0.0 4.0 109 98 A 24 ILE HD1% A 19 TRP HZ3 1.0 0.0 5.0 110 99 A 24 ILE HD1% A 19 TRP HE3 1.0 0.0 5.0 111 100 A 20 VAL H A 19 TRP H 1.0 0.0 3.0 112 101 A 19 TRP HD1 A 19 TRP H 1.0 0.0 4.0 113 102 A 19 TRP H A 18 ASP HA 1.0 0.0 3.0 114 103 A 21 THR H A 20 VAL HA 1.0 0.0 3.0 115 104 A 22 THR H A 21 THR HA 1.0 0.0 3.0 116 105 A 45 ARG HA A 23 ASP H 1.0 0.0 5.0 117 106 A 23 ASP H A 44 ILE HB 1.0 0.0 5.0 118 107 A 44 ILE H A 24 ILE H 1.0 0.0 5.0 119 108 A 24 ILE H A 22 THR HB 1.0 0.0 5.0 120 109 A 27 LYS H A 73 ILE H 1.0 0.0 6.0 121 110 A 27 LYS H A 72 PRO HA 1.0 0.0 5.0 122 111 A 29 ARG H A 31 THR H 1.0 0.0 6.0 123 112 A 37 VAL H A 36 GLN HA 1.0 0.0 4.0 124 113 A 42 GLY H A 25 GLN HA 1.0 0.0 6.0 125 114 A 42 GLY H A 28 VAL H 1.0 0.0 6.0 126 115 A 43 VAL H A 55 TYR H 1.0 0.0 4.0 127 116 A 26 VAL H A 43 VAL H 1.0 0.0 5.0 128 117 A 25 GLN HA A 43 VAL H 1.0 0.0 6.0 129 118 A 43 VAL H A 42 GLY HAx 1.0 0.0 3.0 130 119 A 43 VAL H A 42 GLY HAy 1.0 0.0 3.0 131 120 A 44 ILE H A 24 ILE H 1.0 0.0 6.0 132 121 A 53 SER H A 45 ARG H 1.0 0.0 5.0 133 122 A 56 LEU H A 55 TYR HA 1.0 0.0 3.0 134 123 A 57 LYS H A 56 LEU HA 1.0 0.0 3.0 135 124 A 60 GLU H A 58 ASP H 1.0 0.0 5.0 136 125 A 61 LYS H A 59 SER H 1.0 0.0 5.0 137 126 A 56 LEU H A 61 LYS H 1.0 0.0 5.0 138 127 A 61 LYS H A 60 GLU HA 1.0 0.0 4.0 139 128 A 62 VAL H A 61 LYS HA 1.0 0.0 3.0 140 129 A 54 VAL H A 63 VAL H 1.0 0.0 5.0 141 130 A 63 VAL H A 62 VAL HA 1.0 0.0 3.0 142 131 A 64 SER H A 63 VAL HA 1.0 0.0 3.0 143 132 A 65 ILE H A 64 SER HA 1.0 0.0 3.0 144 133 A 66 SER H A 65 ILE HA 1.0 0.0 3.0 145 134 A 66 SER H A 69 HIS H 1.0 0.0 6.0 146 135 A 67 SER H A 69 HIS H 1.0 0.0 6.0 147 136 A 67 SER H A 66 SER HA 1.0 0.0 3.0 148 137 A 66 SER H A 68 GLU H 1.0 0.0 6.0 149 138 A 70 LEU H A 68 GLU H 1.0 0.0 6.0 150 139 A 70 LEU H A 69 HIS HD2 1.0 0.0 6.0 151 140 A 19 TRP HH2 A 70 LEU H 1.0 0.0 6.0 152 141 A 70 LEU H A 67 SER HA 1.0 0.0 6.0 153 142 A 76 THR H A 75 PRO HA 1.0 0.0 3.0 154 143 A 77 LYS H A 76 THR HA 1.0 0.0 3.0 155 144 A 77 LYS H A 76 THR HB 1.0 0.0 5.0 156 145 A 81 VAL H A 93 GLY H 1.0 0.0 5.0 157 146 A 82 LYS H A 124 LEU H 1.0 0.0 6.0 158 147 A 122 GLY H A 84 ILE H 1.0 0.0 6.0 159 148 A 86 GLY H A 89 ARG H 1.0 0.0 6.0 160 149 A 86 GLY H A 85 LEU HA 1.0 0.0 3.0 161 150 A 93 GLY H A 81 VAL HA 1.0 0.0 6.0 162 151 A 98 ILE H A 97 SER HA 1.0 0.0 3.0 163 152 A 100 GLY H A 99 ASP HA 1.0 0.0 3.0 164 153 A 105 VAL H A 104 ILE HA 1.0 0.0 3.0 165 154 A 109 LEU H A 111 GLU H 1.0 0.0 6.0 166 155 A 107 MET H A 112 GLN H 1.0 0.0 5.0 167 156 A 107 MET H A 113 LEU HA 1.0 0.0 4.0 168 157 A 111 GLU H A 110 ASP H 1.0 0.0 3.0 169 158 A 112 GLN H A 110 ASP H 1.0 0.0 4.0 170 159 A 54 VAL HGy% A 43 VAL H 1.0 0.0 3.0 171 160 A 43 VAL H A 55 TYR H 1.0 0.0 4.0 172 161 A 42 GLY H A 54 VAL HGy% 1.0 0.0 5.0 173 162 A 54 VAL HGy% A 42 GLY HAy 1.0 0.0 4.0 174 162 A 54 VAL HGy% A 42 GLY HAx 1.0 0.0 4.0 175 163 A 43 VAL HA A 54 VAL HGy% 1.0 0.0 5.0 176 164 A 54 VAL HGy% A 44 ILE HA 1.0 0.0 5.0 177 165 A 54 VAL HGy% A 56 LEU HA 1.0 0.0 5.0 178 166 A 42 GLY H A 56 LEU HDx% 1.0 0.0 5.0 179 167 A 58 ASP H A 56 LEU HDy% 1.0 0.0 5.0 180 168 A 43 VAL H A 56 LEU HDy% 1.0 0.0 5.0 181 169 A 56 LEU HDy% A 41 THR H 1.0 0.0 5.0 182 170 A 37 VAL HGx% A 40 GLN H 1.0 0.0 5.0 183 171 A 66 SER H A 51 MET HE% 1.0 0.0 4.0 184 172 A 65 ILE H A 51 MET HE% 1.0 0.0 5.0 185 173 A 18 ASP H A 17 SER H 1.0 0.0 5.0 186 174 A 19 TRP H A 20 VAL HGy% 1.0 0.0 5.0 187 174 A 20 VAL HGx% A 19 TRP H 1.0 0.0 5.0 188 175 A 19 TRP HD1 A 20 VAL HGy% 1.0 0.0 5.0 189 175 A 20 VAL HGx% A 19 TRP HD1 1.0 0.0 5.0 190 176 A 19 TRP HD1 A 18 ASP H 1.0 0.0 5.0 191 177 A 19 TRP HE3 A 20 VAL HGy% 1.0 0.0 5.0 192 177 A 20 VAL HGx% A 19 TRP HE3 1.0 0.0 5.0 193 178 A 23 ASP H A 21 THR HG2% 1.0 0.0 6.0 194 179 A 21 THR HG2% A 20 VAL HGy% 1.0 0.0 5.0 195 179 A 20 VAL HGx% A 21 THR HG2% 1.0 0.0 5.0 196 180 A 22 THR HG2% A 46 SER HA 1.0 0.0 4.0 197 181 A 23 ASP H A 22 THR HB 1.0 0.0 5.0 198 182 A 24 ILE H A 44 ILE HG2% 1.0 0.0 5.0 199 183 A 44 ILE H A 26 VAL HGy% 1.0 0.0 4.0 200 184 A 93 GLY H A 81 VAL HA 1.0 0.0 5.0 201 185 A 93 GLY H A 82 LYS HA 1.0 0.0 6.0 202 186 A 93 GLY H A 81 VAL HGy% 1.0 0.0 3.0 203 187 A 84 ILE HG2% A 122 GLY HAy 1.0 0.0 4.0 204 188 A 122 GLY H A 84 ILE HG2% 1.0 0.0 4.0 205 189 A 120 PHE HD% A 116 LEU HDx% 1.0 0.0 4.0 206 190 A 95 LEU H A 78 ASN H 1.0 0.0 6.0 207 191 A 95 LEU H A 80 LYS HA 1.0 0.0 6.0 208 192 A 83 VAL H A 92 THR HG2% 1.0 0.0 6.0 209 193 A 82 LYS HA A 92 THR HG2% 1.0 0.0 4.0 210 194 A 82 LYS HA A 92 THR H 1.0 0.0 5.0 211 195 A 19 TRP HZ3 A 84 ILE HG2% 1.0 0.0 5.0 212 196 A 82 LYS H A 24 ILE HG2% 1.0 0.0 5.0 213 197 A 122 GLY H A 24 ILE HG2% 1.0 0.0 5.0 214 198 A 121 LEU HA A 24 ILE HG2% 1.0 0.0 6.0 215 199 A 24 ILE HG2% A 122 GLY HAy 1.0 0.0 4.0 216 200 A 122 GLY HAx A 24 ILE HG2% 1.0 0.0 4.0 217 201 A 84 ILE HA A 21 THR HG2% 1.0 0.0 5.0 218 202 A 85 LEU H A 19 TRP HA 1.0 0.0 6.0 219 203 A 19 TRP HBx A 84 ILE HD1% 1.0 0.0 3.0 220 204 A 84 ILE HD1% A 19 TRP HBy 1.0 0.0 5.0 221 205 A 19 TRP HA A 84 ILE HD1% 1.0 0.0 5.0 222 206 A 19 TRP HA A 84 ILE HB 1.0 0.0 5.0 223 207 A 24 ILE HD1% A 20 VAL HA 1.0 0.0 5.0 224 208 A 44 ILE HD1% A 20 VAL HA 1.0 0.0 5.0 225 209 A 47 VAL HGx% A 22 THR H 1.0 0.0 5.0 226 210 A 44 ILE HG2% A 22 THR H 1.0 0.0 5.0 227 211 A 23 ASP H A 22 THR HA 1.0 0.0 3.0 228 212 A 44 ILE HG2% A 22 THR HA 1.0 0.0 3.0 229 213 A 44 ILE HB A 22 THR HA 1.0 0.0 5.0 230 214 A 123 LYS H A 25 GLN H 1.0 0.0 4.0 231 215 A 125 LEU H A 24 ILE HA 1.0 0.0 4.0 232 216 A 91 ALA HB% A 107 MET HE% 1.0 0.0 4.0 233 217 A 91 ALA HB% A 88 ASP HBy 1.0 0.0 4.0 234 218 A 91 ALA HB% A 88 ASP HBx 1.0 0.0 4.0 235 219 A 91 ALA HB% A 88 ASP HA 1.0 0.0 5.0 236 220 A 91 ALA HB% A 83 VAL HGy% 1.0 0.0 3.0 237 221 A 65 ILE HA A 51 MET HE% 1.0 0.0 4.0 238 222 A 66 SER HA A 51 MET HE% 1.0 0.0 4.0 239 223 A 64 SER HA A 51 MET HE% 1.0 0.0 5.0 240 224 A 107 MET H A 113 LEU HA 1.0 0.0 4.0 241 225 A 107 MET H A 114 LYS HBx 1.0 0.0 6.0 242 225 A 107 MET H A 114 LYS HBy 1.0 0.0 6.0 243 226 A 107 MET H A 113 LEU HDy% 1.0 0.0 5.0 244 227 A 107 MET HA A 108 ASP H 1.0 0.0 3.0 245 228 A 95 LEU HA A 106 ARG H 1.0 0.0 5.0 246 229 A 95 LEU HA A 97 SER H 1.0 0.0 5.0 247 230 A 21 THR H A 24 ILE HD1% 1.0 0.0 4.0 248 231 A 21 THR H A 44 ILE HD1% 1.0 0.0 4.0 249 232 A 24 ILE H A 44 ILE HD1% 1.0 0.0 5.0 250 233 A 24 ILE H A 44 ILE HB 1.0 0.0 3.0 251 234 A 24 ILE H A 22 THR HA 1.0 0.0 4.0 252 235 A 75 PRO HGx A 95 LEU HDy% 1.0 0.0 5.0 253 235 A 75 PRO HGy A 95 LEU HDy% 1.0 0.0 5.0 254 235 A 95 LEU HDx% A 75 PRO HGx 1.0 0.0 5.0 255 235 A 95 LEU HDx% A 75 PRO HGy 1.0 0.0 5.0 256 236 A 55 TYR HE% A 60 GLU HA 1.0 0.0 4.0 257 237 A 55 TYR HE% A 57 LYS HA 1.0 0.0 3.0 258 238 A 55 TYR HD% A 57 LYS HA 1.0 0.0 4.0 259 239 A 84 ILE H A 85 LEU H 1.0 0.0 3.0 260 240 A 84 ILE H A 121 LEU HA 1.0 0.0 4.0 261 241 A 83 VAL H A 107 MET HE% 1.0 0.0 4.0 262 242 A 83 VAL H A 89 ARG HA 1.0 0.0 5.0 263 243 A 65 ILE HD1% A 32 TYR HE% 1.0 0.0 5.0 264 244 A 65 ILE HG2% A 69 HIS HD2 1.0 0.0 5.0 265 245 A 69 HIS HD2 A 66 SER HBy 1.0 0.0 4.0 266 246 A 69 HIS HD2 A 66 SER HBx 1.0 0.0 4.0 267 247 A 69 HIS HD2 A 66 SER H 1.0 0.0 4.0 268 248 A 65 ILE HD1% A 56 LEU HDx% 1.0 0.0 5.0 269 249 A 56 LEU HDx% A 42 GLY HAy 1.0 0.0 4.0 270 249 A 42 GLY HAx A 56 LEU HDx% 1.0 0.0 4.0 271 250 A 57 LYS H A 56 LEU HDx% 1.0 0.0 4.0 272 251 A 57 LYS H A 58 ASP H 1.0 0.0 3.0 273 252 A 57 LYS H A 42 GLY HAy 1.0 0.0 3.0 274 252 A 57 LYS H A 42 GLY HAx 1.0 0.0 3.0 275 253 A 54 VAL HGy% A 42 GLY HAy 1.0 0.0 3.0 276 254 A 54 VAL HGy% A 42 GLY HAx 1.0 0.0 4.0 277 255 A 54 VAL HGy% A 26 VAL HGy% 1.0 0.0 3.0 278 256 A 24 ILE HD1% A 21 THR HG2% 1.0 0.0 4.0 279 257 A 21 THR HG2% A 24 ILE HG1y 1.0 0.0 4.0 280 257 A 21 THR HG2% A 24 ILE HG1x 1.0 0.0 4.0 281 258 A 28 VAL H A 41 THR HA 1.0 0.0 4.0 282 259 A 28 VAL HGy% A 28 VAL H 1.0 0.0 3.0 283 260 A 27 LYS HA A 28 VAL HGy% 1.0 0.0 4.0 284 261 A 107 MET HE% A 88 ASP HBx 1.0 0.0 5.0 285 261 A 107 MET HE% A 88 ASP HBy 1.0 0.0 5.0 286 262 A 107 MET HE% A 105 VAL HGy% 1.0 0.0 5.0 287 263 A 105 VAL HGy% A 98 ILE HG2% 1.0 0.0 4.0 288 264 A 95 LEU HA A 105 VAL HGy% 1.0 0.0 4.0 289 265 A 22 THR H A 21 THR HA 1.0 0.0 2.7 290 266 A 28 VAL H A 38 VAL HA 1.0 0.0 5.0 291 267 A 28 VAL HA A 29 ARG H 1.0 0.0 3.0 292 268 A 70 LEU HA A 29 ARG H 1.0 0.0 4.0 293 269 A 30 ASP H A 29 ARG HA 1.0 0.0 3.0 294 270 A 31 THR H A 30 ASP H 1.0 0.0 3.0 295 271 A 31 THR H A 32 TYR H 1.0 0.0 3.0 296 272 A 31 THR H A 29 ARG HBx 1.0 0.0 4.0 297 272 A 31 THR H A 29 ARG HBy 1.0 0.0 4.0 298 273 A 31 THR H A 29 ARG HDx 1.0 0.0 5.0 299 273 A 31 THR H A 29 ARG HDy 1.0 0.0 5.0 300 274 A 32 TYR H A 30 ASP HA 1.0 0.0 5.0 301 275 A 32 TYR H A 28 VAL HGx% 1.0 0.0 4.0 302 276 A 35 THR H A 34 ASP HA 1.0 0.0 3.0 303 277 A 35 THR H A 36 GLN H 1.0 0.0 3.0 304 278 A 36 GLN H A 34 ASP HBy 1.0 0.0 5.0 305 278 A 36 GLN H A 34 ASP HBx 1.0 0.0 5.0 306 279 A 34 ASP HA A 36 GLN H 1.0 0.0 5.0 307 280 A 37 VAL H A 36 GLN H 1.0 0.0 3.0 308 281 A 37 VAL H A 34 ASP HBy 1.0 0.0 5.0 309 281 A 37 VAL H A 34 ASP HBx 1.0 0.0 5.0 310 282 A 37 VAL H A 35 THR HA 1.0 0.0 5.0 311 283 A 37 VAL H A 38 VAL H 1.0 0.0 3.0 312 284 A 35 THR HA A 38 VAL H 1.0 0.0 4.0 313 285 A 32 TYR HD% A 37 VAL H 1.0 0.0 5.0 314 286 A 32 TYR HD% A 69 HIS HBx 1.0 0.0 4.0 315 287 A 28 VAL HGy% A 32 TYR HD% 1.0 0.0 6.0 316 288 A 32 TYR HD% A 37 VAL HB 1.0 0.0 4.0 317 289 A 37 VAL H A 37 VAL HB 1.0 0.0 3.0 318 290 A 112 GLN H A 110 ASP HA 1.0 0.0 6.0 319 291 A 111 GLU H A 112 GLN H 1.0 0.0 3.0 320 292 A 110 ASP H A 109 LEU HBx 1.0 0.0 3.0 321 292 A 110 ASP H A 109 LEU HBy 1.0 0.0 3.0 322 293 A 107 MET HE% A 108 ASP H 1.0 0.0 5.0 323 294 A 108 ASP H A 93 GLY HAx 1.0 0.0 3.0 324 294 A 108 ASP H A 93 GLY HAy 1.0 0.0 3.0 325 295 A 96 LEU H A 97 SER H 1.0 0.0 5.0 326 296 A 97 SER H A 105 VAL HA 1.0 0.0 5.0 327 297 A 78 ASN H A 77 LYS HA 1.0 0.0 3.0 328 298 A 79 ASN H A 77 LYS HA 1.0 0.0 4.0 329 299 A 77 LYS HA A 95 LEU HDy% 1.0 0.0 4.0 330 299 A 95 LEU HDx% A 77 LYS HA 1.0 0.0 4.0 331 300 A 78 ASN HA A 94 VAL HG21 1.0 0.0 4.0 332 301 A 79 ASN HD21 A 76 THR HG2% 1.0 0.0 5.0 333 302 A 76 THR HG2% A 79 ASN HD22 1.0 0.0 5.0 334 303 A 76 THR HA A 95 LEU HDy% 1.0 0.0 5.0 335 303 A 95 LEU HDx% A 76 THR HA 1.0 0.0 5.0 336 304 A 98 ILE HD1% A 76 THR HA 1.0 0.0 4.0 337 305 A 24 ILE H A 24 ILE HG2% 1.0 0.0 3.0 338 306 A 26 VAL HA A 73 ILE H 1.0 0.0 4.0 339 307 A 73 ILE H A 26 VAL HGy% 1.0 0.0 5.0 340 308 A 38 VAL HA A 39 GLY H 1.0 0.0 3.0 341 309 A 39 GLY H A 28 VAL HB 1.0 0.0 4.0 342 310 A 28 VAL HGy% A 39 GLY H 1.0 0.0 5.0 343 311 A 28 VAL HGx% A 39 GLY H 1.0 0.0 3.0 344 312 A 41 THR H A 40 GLN HA 1.0 0.0 3.0 345 313 A 56 LEU HDx% A 42 GLY HAy 1.0 0.0 3.0 346 314 A 42 GLY HAx A 56 LEU HDx% 1.0 0.0 4.0 347 315 A 56 LEU HDx% A 40 GLN HBx 1.0 0.0 4.0 348 315 A 56 LEU HDx% A 40 GLN HBy 1.0 0.0 4.0 349 316 A 56 LEU HDx% A 40 GLN HGy 1.0 0.0 5.0 350 316 A 56 LEU HDx% A 40 GLN HGx 1.0 0.0 5.0 351 317 A 56 LEU HDx% A 40 GLN HGy 1.0 0.0 5.0 352 317 A 56 LEU HDx% A 40 GLN HGx 1.0 0.0 5.0 353 318 A 56 LEU HDx% A 41 THR HA 1.0 0.0 6.0 354 319 A 56 LEU HDx% A 41 THR H 1.0 0.0 5.0 355 320 A 43 VAL H A 56 LEU HDx% 1.0 0.0 5.0 356 321 A 42 GLY H A 56 LEU HDx% 1.0 0.0 5.0 357 322 A 52 CYS H A 65 ILE H 1.0 0.0 4.0 358 323 A 53 SER HA A 65 ILE H 1.0 0.0 4.0 359 324 A 65 ILE H A 54 VAL HGx% 1.0 0.0 4.0 360 325 A 54 VAL H A 65 ILE H 1.0 0.0 4.0 361 326 A 64 SER H A 63 VAL HB 1.0 0.0 3.0 362 327 A 63 VAL HGx% A 64 SER H 1.0 0.0 4.0 363 328 A 55 TYR HD% A 61 LYS H 1.0 0.0 5.0 364 329 A 99 ASP H A 98 ILE HA 1.0 0.0 3.0 365 330 A 98 ILE HG2% A 99 ASP H 1.0 0.0 3.0 366 331 A 99 ASP H A 104 ILE HD1% 1.0 0.0 5.0 367 332 A 99 ASP H A 118 LEU HDx% 1.0 0.0 5.0 368 332 A 99 ASP H A 118 LEU HDy% 1.0 0.0 5.0 369 333 A 100 GLY H A 98 ILE HG2% 1.0 0.0 5.0 370 334 A 104 ILE HA A 115 ILE HA 1.0 0.0 3.0 371 335 A 104 ILE HA A 116 LEU H 1.0 0.0 4.0 372 336 A 105 VAL H A 105 VAL HB 1.0 0.0 4.0 373 337 A 105 VAL H A 104 ILE HG2% 1.0 0.0 4.0 374 338 A 106 ARG H A 105 VAL HA 1.0 0.0 3.0 375 339 A 96 LEU H A 106 ARG H 1.0 0.0 5.0 376 340 A 94 VAL H A 108 ASP H 1.0 0.0 3.0 377 341 A 109 LEU H A 107 MET HA 1.0 0.0 6.0 378 342 A 113 LEU HA A 114 LYS H 1.0 0.0 3.0 379 343 A 104 ILE HG2% A 114 LYS H 1.0 0.0 5.0 380 344 A 101 GLU H A 102 ASP H 1.0 0.0 3.0 381 345 A 98 ILE HG2% A 101 GLU H 1.0 0.0 6.0 382 346 A 100 GLY H A 102 ASP H 1.0 0.0 5.0 383 347 A 29 ARG HA A 32 TYR H 1.0 0.0 6.0 384 348 A 32 TYR HD% A 38 VAL HGx% 1.0 0.0 5.0 385 349 A 32 TYR H A 38 VAL HGx% 1.0 0.0 5.0 386 350 A 30 ASP HA A 38 VAL HGx% 1.0 0.0 4.0 387 351 A 35 THR HA A 38 VAL HGx% 1.0 0.0 3.0 388 352 A 35 THR HA A 38 VAL HB 1.0 0.0 3.0 389 353 A 28 VAL HGy% A 38 VAL HA 1.0 0.0 5.0 390 354 A 38 VAL HA A 28 VAL HB 1.0 0.0 3.0 391 355 A 75 PRO HBy A 95 LEU HDy% 1.0 0.0 3.0 392 355 A 75 PRO HBx A 95 LEU HDy% 1.0 0.0 3.0 393 355 A 95 LEU HDx% A 75 PRO HBx 1.0 0.0 3.0 394 355 A 95 LEU HDx% A 75 PRO HBy 1.0 0.0 3.0 395 356 A 77 LYS HA A 95 LEU HDy% 1.0 0.0 4.0 396 357 A 78 ASN H A 95 LEU HDy% 1.0 0.0 5.0 397 358 A 98 ILE HD1% A 95 LEU HDy% 1.0 0.0 3.0 398 359 A 75 PRO HBy A 95 LEU HDy% 1.0 0.0 3.0 399 359 A 75 PRO HBx A 95 LEU HDy% 1.0 0.0 3.0 400 360 A 113 LEU H A 112 GLN HA 1.0 0.0 2.7 401 361 A 115 ILE HA A 116 LEU H 1.0 0.0 3.0 402 362 A 105 VAL H A 115 ILE HA 1.0 0.0 5.0 403 363 A 104 ILE HA A 115 ILE HG2% 1.0 0.0 4.0 404 364 A 112 GLN H A 113 LEU H 1.0 0.0 5.0 405 365 A 107 MET H A 114 LYS H 1.0 0.0 5.0 406 366 A 113 LEU HA A 106 ARG HA 1.0 0.0 4.0 407 367 A 93 GLY H A 92 THR HA 1.0 0.0 3.0 408 368 A 82 LYS HA A 92 THR HA 1.0 0.0 3.0 409 369 A 83 VAL H A 92 THR HA 1.0 0.0 4.0 410 370 A 81 VAL HGy% A 92 THR HA 1.0 0.0 5.0 411 371 A 103 GLY HAx A 118 LEU HDx% 1.0 0.0 4.0 412 371 A 103 GLY HAy A 118 LEU HDx% 1.0 0.0 4.0 413 371 A 118 LEU HDy% A 103 GLY HAy 1.0 0.0 4.0 414 371 A 118 LEU HDy% A 103 GLY HAx 1.0 0.0 4.0 415 372 A 120 PHE H A 118 LEU HA 1.0 0.0 4.0 416 373 A 121 LEU H A 118 LEU HA 1.0 0.0 4.0 417 374 A 121 LEU H A 119 ARG HA 1.0 0.0 4.0 418 375 A 103 GLY HAx A 104 ILE H 1.0 0.0 3.0 419 376 A 123 LYS H A 75 PRO HDx 1.0 0.0 5.0 420 376 A 123 LYS H A 75 PRO HDy 1.0 0.0 5.0 421 377 A 123 LYS H A 24 ILE HA 1.0 0.0 5.0 422 378 A 123 LYS H A 24 ILE HB 1.0 0.0 5.0 423 379 A 123 LYS H A 24 ILE HG2% 1.0 0.0 5.0 424 380 A 123 LYS H A 75 PRO HA 1.0 0.0 5.0 425 381 A 123 LYS H A 75 PRO HA 1.0 0.0 5.0 426 382 A 81 VAL HA A 123 LYS HA 1.0 0.0 4.0 427 383 A 81 VAL HA A 123 LYS HBx 1.0 0.0 5.0 428 383 A 81 VAL HA A 123 LYS HBy 1.0 0.0 5.0 429 384 A 38 VAL H A 38 VAL HB 1.0 0.0 3.0 430 385 A 43 VAL H A 43 VAL HB 1.0 0.0 3.0 431 386 A 82 LYS H A 81 VAL HB 1.0 0.0 3.0 432 387 A 83 VAL H A 83 VAL HB 1.0 0.0 3.0 433 388 A 97 SER H A 104 ILE HB 1.0 0.0 4.0 434 389 A 97 SER H A 104 ILE HD1% 1.0 0.0 5.0 435 390 A 97 SER H A 104 ILE H 1.0 0.0 5.0 436 391 A 95 LEU HA A 105 VAL HA 1.0 0.0 4.0 437 392 A 80 LYS HA A 94 VAL HA 1.0 0.0 3.0 438 393 A 98 ILE HA A 103 GLY HAx 1.0 0.0 3.0 439 394 A 98 ILE HA A 103 GLY HAy 1.0 0.0 4.0 440 395 A 98 ILE HA A 104 ILE H 1.0 0.0 4.0 441 396 A 98 ILE HG2% A 103 GLY H 1.0 0.0 5.0 442 397 A 115 ILE HG2% A 103 GLY H 1.0 0.0 5.0 443 398 A 98 ILE HA A 103 GLY H 1.0 0.0 5.0 444 399 A 115 ILE H A 115 ILE HB 1.0 0.0 3.0 445 400 A 110 ASP H A 107 MET HBx 1.0 0.0 4.0 446 400 A 110 ASP H A 107 MET HBy 1.0 0.0 4.0 447 401 A 110 ASP H A 109 LEU HG 1.0 0.0 4.0 448 402 A 110 ASP H A 109 LEU HDx% 1.0 0.0 5.0 449 403 A 110 ASP H A 109 LEU HDy% 1.0 0.0 5.0 450 404 A 90 GLU HA A 82 LYS HEx 1.0 0.0 4.0 451 404 A 90 GLU HA A 82 LYS HEy 1.0 0.0 4.0 452 405 A 94 VAL HA A 81 VAL HGy% 1.0 0.0 4.0 453 406 A 116 LEU H A 115 ILE HG2% 1.0 0.0 3.0 454 407 A 116 LEU H A 105 VAL HGx% 1.0 0.0 4.0 455 408 A 105 VAL H A 105 VAL HGx% 1.0 0.0 3.0 456 409 A 102 ASP HA A 118 LEU H 1.0 0.0 4.0 457 410 A 103 GLY H A 102 ASP HA 1.0 0.0 3.0 458 411 A 118 LEU H A 119 ARG H 1.0 0.0 3.0 459 412 A 103 GLY H A 118 LEU H 1.0 0.0 5.0 460 413 A 106 ARG HDy A 111 GLU HGx 1.0 0.0 5.0 461 413 A 106 ARG HDx A 111 GLU HGx 1.0 0.0 5.0 462 413 A 111 GLU HGy A 106 ARG HDx 1.0 0.0 5.0 463 413 A 111 GLU HGy A 106 ARG HDy 1.0 0.0 5.0 464 414 A 106 ARG HDy A 111 GLU HBx 1.0 0.0 5.0 465 414 A 106 ARG HDx A 111 GLU HBx 1.0 0.0 5.0 466 414 A 111 GLU HBy A 106 ARG HDx 1.0 0.0 5.0 467 414 A 106 ARG HDy A 111 GLU HBy 1.0 0.0 5.0 468 415 A 111 GLU H A 106 ARG HDx 1.0 0.0 6.0 469 415 A 111 GLU H A 106 ARG HDy 1.0 0.0 6.0 470 416 A 120 PHE HD% A 117 ASN H 1.0 0.0 4.0 471 417 A 120 PHE HE% A 117 ASN H 1.0 0.0 5.0 472 418 A 117 ASN H A 116 LEU HA 1.0 0.0 3.0 473 419 A 115 ILE HG2% A 117 ASN H 1.0 0.0 5.0 474 420 A 117 ASN H A 120 PHE HBx 1.0 0.0 5.0 475 421 A 119 ARG H A 117 ASN HBx 1.0 0.0 4.0 476 421 A 119 ARG H A 117 ASN HBy 1.0 0.0 4.0 477 422 A 120 PHE H A 119 ARG H 1.0 0.0 3.0 478 423 A 121 LEU H A 120 PHE H 1.0 0.0 3.0 479 424 A 120 PHE H A 117 ASN HBx 1.0 0.0 4.0 480 424 A 120 PHE H A 117 ASN HBy 1.0 0.0 4.0 481 425 A 121 LEU H A 84 ILE HD1% 1.0 0.0 5.0 482 426 A 122 GLY H A 81 VAL HGx% 1.0 0.0 5.0 483 427 A 123 LYS H A 24 ILE HD1% 1.0 0.0 5.0 484 428 A 82 LYS H A 122 GLY HAy 1.0 0.0 5.0 485 429 A 82 LYS H A 121 LEU HBx 1.0 0.0 5.0 486 429 A 82 LYS H A 121 LEU HBy 1.0 0.0 5.0 487 430 A 84 ILE HD1% A 122 GLY HAy 1.0 0.0 5.0 488 431 A 25 GLN HA A 43 VAL HGy% 1.0 0.0 4.0 489 432 A 43 VAL HA A 25 GLN HA 1.0 0.0 3.0 490 433 A 44 ILE H A 25 GLN HA 1.0 0.0 4.0 491 434 A 43 VAL HGy% A 125 LEU HBy 1.0 0.0 4.0 492 435 A 43 VAL HGy% A 125 LEU HBx 1.0 0.0 4.0 493 436 A 43 VAL H A 56 LEU HA 1.0 0.0 4.0 494 437 A 44 ILE H A 22 THR HA 1.0 0.0 5.0 495 438 A 46 SER H A 45 ARG H 1.0 0.0 3.0 496 439 A 45 ARG H A 54 VAL HA 1.0 0.0 4.0 497 440 A 45 ARG H A 44 ILE HG2% 1.0 0.0 3.0 498 441 A 46 SER H A 53 SER HBx 1.0 0.0 3.0 499 441 A 46 SER H A 53 SER HBy 1.0 0.0 3.0 500 442 A 46 SER H A 44 ILE HG2% 1.0 0.0 3.0 501 443 A 47 VAL H A 46 SER HA 1.0 0.0 3.0 502 444 A 47 VAL H A 22 THR HG2% 1.0 0.0 4.0 503 445 A 48 THR H A 47 VAL HA 1.0 0.0 3.0 504 446 A 52 CYS HA A 47 VAL HA 1.0 0.0 3.0 505 447 A 47 VAL HGx% A 21 THR HA 1.0 0.0 4.0 506 448 A 53 SER H A 44 ILE HG2% 1.0 0.0 4.0 507 449 A 53 SER H A 47 VAL HA 1.0 0.0 4.0 508 450 A 47 VAL HGx% A 22 THR HG2% 1.0 0.0 4.0 509 451 A 44 ILE HG2% A 52 CYS HBx 1.0 0.0 4.0 510 451 A 44 ILE HG2% A 52 CYS HBy 1.0 0.0 4.0 511 452 A 54 VAL H A 64 SER HA 1.0 0.0 3.0 512 453 A 54 VAL H A 54 VAL HB 1.0 0.0 3.0 513 454 A 55 TYR H A 54 VAL HA 1.0 0.0 3.0 514 455 A 55 TYR H A 43 VAL HB 1.0 0.0 4.0 515 456 A 45 ARG H A 55 TYR H 1.0 0.0 5.0 516 457 A 44 ILE HA A 55 TYR H 1.0 0.0 5.0 517 458 A 56 LEU H A 63 VAL H 1.0 0.0 4.0 518 459 A 56 LEU H A 62 VAL HA 1.0 0.0 4.0 519 460 A 59 SER H A 58 ASP H 1.0 0.0 3.0 520 461 A 59 SER H A 56 LEU HBx 1.0 0.0 4.0 521 461 A 59 SER H A 56 LEU HBy 1.0 0.0 4.0 522 462 A 59 SER H A 56 LEU HDy% 1.0 0.0 4.0 523 463 A 61 LYS H A 56 LEU HBx 1.0 0.0 4.0 524 463 A 61 LYS H A 56 LEU HBy 1.0 0.0 4.0 525 464 A 61 LYS H A 59 SER HBx 1.0 0.0 4.0 526 464 A 61 LYS H A 59 SER HBy 1.0 0.0 4.0 527 465 A 55 TYR HD% A 62 VAL H 1.0 0.0 5.0 528 466 A 55 TYR HE% A 62 VAL H 1.0 0.0 5.0 529 467 A 55 TYR HA A 63 VAL H 1.0 0.0 4.0 530 468 A 63 VAL H A 62 VAL HB 1.0 0.0 4.0 531 469 A 63 VAL H A 54 VAL HB 1.0 0.0 5.0 532 470 A 65 ILE HD1% A 63 VAL HGx% 1.0 0.0 4.0 533 471 A 65 ILE HG2% A 66 SER H 1.0 0.0 3.0 534 472 A 32 TYR HE% A 66 SER H 1.0 0.0 5.0 535 473 A 67 SER H A 51 MET HA 1.0 0.0 4.0 536 474 A 67 SER H A 20 VAL HGy% 1.0 0.0 5.0 537 474 A 67 SER H A 20 VAL HGx% 1.0 0.0 5.0 538 475 A 67 SER H A 51 MET HE% 1.0 0.0 5.0 539 476 A 69 HIS H A 68 GLU H 1.0 0.0 3.0 540 477 A 70 LEU H A 69 HIS H 1.0 0.0 3.0 541 478 A 65 ILE HG2% A 69 HIS H 1.0 0.0 4.0 542 479 A 69 HIS H A 29 ARG HDx 1.0 0.0 5.0 543 479 A 69 HIS H A 29 ARG HDy 1.0 0.0 5.0 544 480 A 70 LEU H A 65 ILE HG2% 1.0 0.0 4.0 545 481 A 70 LEU H A 29 ARG HDx 1.0 0.0 4.0 546 481 A 70 LEU H A 29 ARG HDy 1.0 0.0 4.0 547 482 A 70 LEU HA A 28 VAL HA 1.0 0.0 4.0 548 483 A 71 GLU H A 29 ARG H 1.0 0.0 5.0 549 484 A 71 GLU H A 19 TRP HH2 1.0 0.0 5.0 550 485 A 71 GLU H A 28 VAL HA 1.0 0.0 4.0 551 486 A 71 GLU H A 26 VAL HGy% 1.0 0.0 5.0 552 487 A 73 ILE H A 72 PRO HA 1.0 0.0 3.0 553 488 A 74 THR HG2% A 118 LEU HBx 1.0 0.0 4.0 554 488 A 74 THR HG2% A 118 LEU HBy 1.0 0.0 4.0 555 489 A 74 THR HG2% A 118 LEU HDx% 1.0 0.0 4.0 556 489 A 118 LEU HDy% A 74 THR HG2% 1.0 0.0 4.0 557 490 A 76 THR H A 95 LEU HDy% 1.0 0.0 5.0 558 491 A 76 THR H A 79 ASN HBx 1.0 0.0 4.0 559 491 A 76 THR H A 79 ASN HBy 1.0 0.0 4.0 560 492 A 77 LYS H A 95 LEU HDy% 1.0 0.0 5.0 561 493 A 98 ILE HD1% A 77 LYS HA 1.0 0.0 5.0 562 494 A 79 ASN H A 95 LEU HDy% 1.0 0.0 4.0 563 495 A 79 ASN H A 95 LEU HBx 1.0 0.0 5.0 564 496 A 79 ASN H A 95 LEU HBy 1.0 0.0 4.0 565 497 A 79 ASN H A 94 VAL HG21 1.0 0.0 4.0 566 498 A 80 LYS H A 79 ASN HD21 1.0 0.0 5.0 567 499 A 80 LYS H A 79 ASN HD22 1.0 0.0 5.0 568 500 A 81 VAL H A 94 VAL HA 1.0 0.0 4.0 569 501 A 122 GLY H A 81 VAL HGy% 1.0 0.0 5.0 570 502 A 85 LEU H A 120 PHE HBy 1.0 0.0 4.0 571 503 A 85 LEU H A 120 PHE HBx 1.0 0.0 5.0 572 504 A 85 LEU H A 120 PHE HA 1.0 0.0 5.0 573 505 A 83 VAL HA A 85 LEU H 1.0 0.0 4.0 574 506 A 116 LEU H A 103 GLY H 1.0 0.0 4.0 575 507 A 125 LEU HA A 25 GLN HE21 1.0 0.0 4.0 576 508 A 125 LEU HA A 25 GLN HE22 1.0 0.0 3.0 577 509 A 125 LEU HA A 126 GLU H 1.0 0.0 3.0 578 510 A 42 GLY H A 41 THR HG2% 1.0 0.0 3.0 579 511 A 26 VAL H A 41 THR HG2% 1.0 0.0 4.0 580 512 A 27 LYS HA A 41 THR HG2% 1.0 0.0 4.0 581 513 A 73 ILE HD1% A 41 THR HG2% 1.0 0.0 3.0 582 514 A 73 ILE HD1% A 27 LYS HBx 1.0 0.0 3.0 583 514 A 73 ILE HD1% A 27 LYS HBy 1.0 0.0 3.0 584 515 A 27 LYS HA A 73 ILE HD1% 1.0 0.0 4.0 585 516 A 73 ILE HD1% A 27 LYS HEx 1.0 0.0 4.0 586 516 A 73 ILE HD1% A 27 LYS HEy 1.0 0.0 4.0 587 517 A 80 LYS H A 79 ASN HA 1.0 0.0 3.0 588 518 A 80 LYS H A 124 LEU HBx 1.0 0.0 5.0 589 518 A 80 LYS H A 124 LEU HBy 1.0 0.0 5.0 590 519 A 82 LYS H A 123 LYS HA 1.0 0.0 5.0 591 520 A 84 ILE H A 120 PHE HBy 1.0 0.0 5.0 592 520 A 84 ILE H A 120 PHE HBx 1.0 0.0 5.0 593 521 A 85 LEU H A 89 ARG HA 1.0 0.0 5.0 594 522 A 89 ARG H A 88 ASP H 1.0 0.0 3.0 595 523 A 88 ASP H A 87 GLU H 1.0 0.0 3.0 596 524 A 88 ASP H A 83 VAL HGx% 1.0 0.0 4.0 597 525 A 85 LEU H A 83 VAL HGx% 1.0 0.0 3.0 598 526 A 83 VAL HGx% A 88 ASP HBx 1.0 0.0 3.0 599 526 A 88 ASP HBy A 83 VAL HGx% 1.0 0.0 3.0 600 527 A 83 VAL HGx% A 120 PHE HBy 1.0 0.0 4.0 601 527 A 120 PHE HBx A 83 VAL HGx% 1.0 0.0 4.0 602 528 A 89 ARG HA A 83 VAL HGx% 1.0 0.0 3.0 603 529 A 83 VAL HGx% A 89 ARG HBx 1.0 0.0 4.0 604 529 A 83 VAL HGx% A 89 ARG HBy 1.0 0.0 4.0 605 530 A 92 THR H A 107 MET HE% 1.0 0.0 5.0 606 531 A 91 ALA H A 107 MET HE% 1.0 0.0 5.0 607 532 A 107 MET HE% A 92 THR HA 1.0 0.0 5.0 608 533 A 107 MET HE% A 93 GLY HAx 1.0 0.0 5.0 609 533 A 107 MET HE% A 93 GLY HAy 1.0 0.0 5.0 610 534 A 91 ALA HA A 107 MET HE% 1.0 0.0 5.0 611 535 A 92 THR HG2% A 82 LYS HEx 1.0 0.0 5.0 612 535 A 92 THR HG2% A 82 LYS HEy 1.0 0.0 5.0 613 536 A 19 TRP HBx A 85 LEU HDy% 1.0 0.0 5.0 614 537 A 19 TRP HBy A 85 LEU HDy% 1.0 0.0 4.0 615 538 A 19 TRP HA A 85 LEU HDy% 1.0 0.0 4.0 616 539 A 24 ILE HA A 124 LEU HA 1.0 0.0 3.0 617 540 A 24 ILE HA A 124 LEU HD11 1.0 0.0 5.0 618 541 A 25 GLN H A 24 ILE HA 1.0 0.0 3.0 619 542 A 80 LYS HBy A 124 LEU HBx 1.0 0.0 4.0 620 542 A 80 LYS HBx A 124 LEU HBx 1.0 0.0 4.0 621 542 A 124 LEU HBy A 80 LYS HBx 1.0 0.0 4.0 622 542 A 124 LEU HBy A 80 LYS HBy 1.0 0.0 4.0 623 543 A 89 ARG H A 83 VAL HB 1.0 0.0 5.0 624 544 A 89 ARG H A 83 VAL HGx% 1.0 0.0 4.0 625 545 A 89 ARG H A 87 GLU HA 1.0 0.0 4.0 626 546 A 40 GLN H A 38 VAL HA 1.0 0.0 4.0 627 547 A 49 GLY H A 48 THR HA 1.0 0.0 3.0 628 548 A 74 THR H A 73 ILE HG2% 1.0 0.0 3.0 629 549 A 21 THR HG2% A 90 GLU HA 1.0 0.0 5.0 630 550 A 21 THR HG2% A 82 LYS HEx 1.0 0.0 4.0 631 550 A 21 THR HG2% A 82 LYS HEy 1.0 0.0 4.0 632 551 A 21 THR HG2% A 84 ILE HB 1.0 0.0 5.0 633 552 A 21 THR HG2% A 84 ILE HD1% 1.0 0.0 5.0 634 553 A 124 LEU HD11 A 23 ASP HBx 1.0 0.0 4.0 635 554 A 124 LEU HD11 A 23 ASP HBy 1.0 0.0 4.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 23 ASP H A 44 ILE O 1.0 0.0 2.3 2 2 A 44 ILE O A 23 ASP N 1.0 0.0 3.3 3 3 A 25 GLN H A 123 LYS O 1.0 0.0 2.3 4 4 A 123 LYS O A 25 GLN N 1.0 0.0 3.3 5 5 A 26 VAL H A 42 GLY O 1.0 0.0 2.3 6 6 A 42 GLY O A 26 VAL N 1.0 0.0 3.3 7 7 A 27 LYS H A 71 GLU O 1.0 0.0 2.3 8 8 A 71 GLU O A 27 LYS N 1.0 0.0 3.3 9 9 A 28 VAL H A 40 GLN O 1.0 0.0 2.3 10 10 A 40 GLN O A 28 VAL N 1.0 0.0 3.3 11 11 A 29 ARG H A 69 HIS O 1.0 0.0 2.3 12 12 A 69 HIS O A 29 ARG N 1.0 0.0 3.3 13 13 A 37 VAL H A 34 ASP O 1.0 0.0 2.3 14 14 A 34 ASP O A 37 VAL N 1.0 0.0 3.3 15 15 A 38 VAL H A 35 THR O 1.0 0.0 2.3 16 16 A 35 THR O A 38 VAL N 1.0 0.0 3.3 17 17 A 39 GLY H A 28 VAL O 1.0 0.0 2.3 18 18 A 28 VAL O A 39 GLY N 1.0 0.0 3.3 19 19 A 40 GLN H A 37 VAL O 1.0 0.0 2.3 20 20 A 37 VAL O A 40 GLN N 1.0 0.0 3.3 21 21 A 42 GLY H A 26 VAL O 1.0 0.0 2.3 22 22 A 26 VAL O A 42 GLY N 1.0 0.0 3.3 23 23 A 43 VAL H A 55 TYR O 1.0 0.0 2.3 24 24 A 55 TYR O A 43 VAL N 1.0 0.0 3.3 25 25 A 44 ILE H A 24 ILE O 1.0 0.0 2.3 26 26 A 24 ILE O A 44 ILE N 1.0 0.0 3.3 27 27 A 45 ARG H A 53 SER O 1.0 0.0 2.3 28 28 A 53 SER O A 45 ARG N 1.0 0.0 3.3 29 29 A 48 THR H A 51 MET O 1.0 0.0 2.3 30 30 A 51 MET O A 48 THR N 1.0 0.0 3.3 31 31 A 51 MET H A 48 THR O 1.0 0.0 2.3 32 32 A 48 THR O A 51 MET N 1.0 0.0 3.3 33 33 A 52 CYS H A 65 ILE O 1.0 0.0 2.3 34 34 A 65 ILE O A 52 CYS N 1.0 0.0 3.3 35 35 A 53 SER H A 46 SER O 1.0 0.0 2.3 36 36 A 46 SER O A 53 SER N 1.0 0.0 3.3 37 37 A 54 VAL H A 63 VAL O 1.0 0.0 2.3 38 38 A 63 VAL O A 54 VAL N 1.0 0.0 3.3 39 39 A 55 TYR H A 43 VAL O 1.0 0.0 2.3 40 40 A 43 VAL O A 55 TYR N 1.0 0.0 3.3 41 41 A 56 LEU H A 61 LYS O 1.0 0.0 2.3 42 42 A 61 LYS O A 56 LEU N 1.0 0.0 3.3 43 43 A 57 LYS H A 41 THR O 1.0 0.0 2.3 44 44 A 41 THR O A 57 LYS N 1.0 0.0 3.3 45 45 A 60 GLU H A 56 LEU O 1.0 0.0 2.3 46 46 A 56 LEU O A 60 GLU N 1.0 0.0 3.3 47 47 A 63 VAL H A 54 VAL O 1.0 0.0 2.3 48 48 A 54 VAL O A 63 VAL N 1.0 0.0 3.3 49 49 A 65 ILE H A 52 CYS O 1.0 0.0 2.3 50 50 A 52 CYS O A 65 ILE N 1.0 0.0 3.3 51 51 A 69 HIS H A 66 SER O 1.0 0.0 2.3 52 52 A 66 SER O A 69 HIS N 1.0 0.0 3.3 53 53 A 70 LEU H A 67 SER O 1.0 0.0 2.3 54 54 A 67 SER O A 70 LEU N 1.0 0.0 3.3 55 55 A 71 GLU H A 27 LYS O 1.0 0.0 2.3 56 56 A 27 LYS O A 71 GLU N 1.0 0.0 3.3 57 57 A 78 ASN H A 95 LEU O 1.0 0.0 2.3 58 58 A 95 LEU O A 78 ASN N 1.0 0.0 3.3 59 59 A 79 ASN H A 76 THR O 1.0 0.0 2.3 60 60 A 76 THR O A 79 ASN N 1.0 0.0 3.3 61 61 A 81 VAL H A 93 GLY O 1.0 0.0 2.3 62 62 A 93 GLY O A 81 VAL N 1.0 0.0 3.3 63 63 A 82 LYS H A 122 GLY O 1.0 0.0 2.3 64 64 A 122 GLY O A 82 LYS N 1.0 0.0 3.3 65 65 A 83 VAL H A 91 ALA O 1.0 0.0 2.3 66 66 A 91 ALA O A 83 VAL N 1.0 0.0 3.3 67 67 A 84 ILE H A 120 PHE O 1.0 0.0 2.3 68 68 A 120 PHE O A 84 ILE N 1.0 0.0 3.3 69 69 A 89 ARG H A 86 GLY O 1.0 0.0 2.3 70 70 A 86 GLY O A 89 ARG N 1.0 0.0 3.3 71 71 A 90 GLU H A 83 VAL O 1.0 0.0 2.3 72 72 A 83 VAL O A 90 GLU N 1.0 0.0 3.3 73 73 A 91 ALA H A 88 ASP O 1.0 0.0 2.3 74 74 A 88 ASP O A 91 ALA N 1.0 0.0 3.3 75 75 A 93 GLY H A 81 VAL O 1.0 0.0 2.3 76 76 A 81 VAL O A 93 GLY N 1.0 0.0 3.3 77 77 A 95 LEU H A 79 ASN O 1.0 0.0 2.3 78 78 A 79 ASN O A 95 LEU N 1.0 0.0 3.3 79 79 A 120 PHE H A 117 ASN O 1.0 0.0 2.3 80 80 A 117 ASN O A 120 PHE N 1.0 0.0 3.3 81 81 A 121 LEU H A 118 LEU O 1.0 0.0 2.3 82 82 A 118 LEU O A 121 LEU N 1.0 0.0 3.3 83 83 A 122 GLY H A 82 LYS O 1.0 0.0 2.3 84 84 A 82 LYS O A 122 GLY N 1.0 0.0 3.3 85 85 A 123 LYS H A 73 ILE O 1.0 0.0 2.3 86 86 A 73 ILE O A 123 LYS N 1.0 0.0 3.3 87 87 A 124 LEU H A 80 LYS O 1.0 0.0 2.3 88 88 A 80 LYS O A 124 LEU N 1.0 0.0 3.3 89 89 A 105 VAL H A 114 LYS O 1.0 0.0 2.3 90 90 A 114 LYS O A 105 VAL N 1.0 0.0 3.3 91 91 A 114 LYS H A 105 VAL O 1.0 0.0 2.3 92 92 A 105 VAL O A 114 LYS N 1.0 0.0 3.3 93 93 A 103 GLY H A 116 LEU O 1.0 0.0 2.3 94 94 A 116 LEU O A 103 GLY N 1.0 0.0 3.3 95 95 A 116 LEU H A 103 GLY O 1.0 0.0 2.3 96 96 A 103 GLY O A 116 LEU N 1.0 0.0 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 24 ILE C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -149.22 -75.06 PHI 2 2 A 25 GLN C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -152.22 -119.42 PHI 3 3 A 26 VAL C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -167.43 -104.91 PHI 4 4 A 27 LYS C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -106.36 -54.00 PHI 5 5 A 29 ARG C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -105.98 -33.22 PHI 6 6 A 30 ASP C A 31 THR N A 31 THR CA A 31 THR C 1.0 -134.60 -72.44 PHI 7 7 A 32 TYR C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -79.14 -41.34 PHI 8 8 A 34 ASP C A 35 THR N A 35 THR CA A 35 THR C 1.0 -73.42 -49.78 PHI 9 9 A 35 THR C A 36 GLN N A 36 GLN CA A 36 GLN C 1.0 -105.82 -51.14 PHI 10 10 A 37 VAL C A 38 VAL N A 38 VAL CA A 38 VAL C 1.0 -104.07 -28.63 PHI 11 11 A 40 GLN C A 41 THR N A 41 THR CA A 41 THR C 1.0 -149.61 -100.77 PHI 12 12 A 42 GLY C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -147.69 -95.29 PHI 13 13 A 43 VAL C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -90.98 -52.14 PHI 14 14 A 45 ARG C A 46 SER N A 46 SER CA A 46 SER C 1.0 -207.30 -85.06 PHI 15 15 A 46 SER C A 47 VAL N A 47 VAL CA A 47 VAL C 1.0 -151.65 -82.49 PHI 16 16 A 47 VAL C A 48 THR N A 48 THR CA A 48 THR C 1.0 -165.70 -72.42 PHI 17 17 A 51 MET C A 52 CYS N A 52 CYS CA A 52 CYS C 1.0 -137.32 -54.12 PHI 18 18 A 53 SER C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -157.13 -83.73 PHI 19 19 A 54 VAL C A 55 TYR N A 55 TYR CA A 55 TYR C 1.0 -145.53 -72.81 PHI 20 20 A 56 LEU C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -72.65 -51.41 PHI 21 21 A 57 LYS C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -85.77 -50.57 PHI 22 22 A 58 ASP C A 59 SER N A 59 SER CA A 59 SER C 1.0 -127.40 -56.64 PHI 23 23 A 60 GLU C A 61 LYS N A 61 LYS CA A 61 LYS C 1.0 -170.66 -68.98 PHI 24 24 A 61 LYS C A 62 VAL N A 62 VAL CA A 62 VAL C 1.0 -123.60 -79.04 PHI 25 25 A 62 VAL C A 63 VAL N A 63 VAL CA A 63 VAL C 1.0 -160.78 -93.82 PHI 26 26 A 63 VAL C A 64 SER N A 64 SER CA A 64 SER C 1.0 -118.29 -83.57 PHI 27 27 A 64 SER C A 65 ILE N A 65 ILE CA A 65 ILE C 1.0 -150.88 -95.68 PHI 28 28 A 65 ILE C A 66 SER N A 66 SER CA A 66 SER C 1.0 -113.14 -42.98 PHI 29 29 A 66 SER C A 67 SER N A 67 SER CA A 67 SER C 1.0 -68.64 -46.08 PHI 30 30 A 67 SER C A 68 GLU N A 68 GLU CA A 68 GLU C 1.0 -92.20 -53.24 PHI 31 31 A 69 HIS C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -160.40 -104.44 PHI 32 32 A 70 LEU C A 71 GLU N A 71 GLU CA A 71 GLU C 1.0 -175.99 -98.43 PHI 33 33 A 71 GLU C A 72 PRO N A 72 PRO CA A 72 PRO C 1.0 -82.56 -47.56 PHI 34 34 A 72 PRO C A 73 ILE N A 73 ILE CA A 73 ILE C 1.0 -122.49 -57.01 PHI 35 35 A 75 PRO C A 76 THR N A 76 THR CA A 76 THR C 1.0 -154.68 -69.20 PHI 36 36 A 80 LYS C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -150.89 -120.45 PHI 37 37 A 81 VAL C A 82 LYS N A 82 LYS CA A 82 LYS C 1.0 -174.00 -105.08 PHI 38 38 A 83 VAL C A 84 ILE N A 84 ILE CA A 84 ILE C 1.0 -135.82 -74.10 PHI 39 39 A 84 ILE C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -175.12 -110.20 PHI 40 40 A 86 GLY C A 87 GLU N A 87 GLU CA A 87 GLU C 1.0 -106.91 -37.19 PHI 41 41 A 87 GLU C A 88 ASP N A 88 ASP CA A 88 ASP C 1.0 -124.73 -51.69 PHI 42 42 A 91 ALA C A 92 THR N A 92 THR CA A 92 THR C 1.0 -163.29 -69.41 PHI 43 43 A 93 GLY C A 94 VAL N A 94 VAL CA A 94 VAL C 1.0 -148.31 -95.51 PHI 44 44 A 94 VAL C A 95 LEU N A 95 LEU CA A 95 LEU C 1.0 -135.21 -73.29 PHI 45 45 A 97 SER C A 98 ILE N A 98 ILE CA A 98 ILE C 1.0 -160.26 -74.98 PHI 46 46 A 98 ILE C A 99 ASP N A 99 ASP CA A 99 ASP C 1.0 -177.39 -80.35 PHI 47 47 A 100 GLY C A 101 GLU N A 101 GLU CA A 101 GLU C 1.0 -112.19 -88.79 PHI 48 48 A 103 GLY C A 104 ILE N A 104 ILE CA A 104 ILE C 1.0 -139.46 -79.66 PHI 49 49 A 104 ILE C A 105 VAL N A 105 VAL CA A 105 VAL C 1.0 -140.42 -90.62 PHI 50 50 A 105 VAL C A 106 ARG N A 106 ARG CA A 106 ARG C 1.0 -131.00 -71.00 PHI 51 51 A 107 MET C A 108 ASP N A 108 ASP CA A 108 ASP C 1.0 -71.28 -57.88 PHI 52 52 A 108 ASP C A 109 LEU N A 109 LEU CA A 109 LEU C 1.0 -88.95 -46.07 PHI 53 53 A 109 LEU C A 110 ASP N A 110 ASP CA A 110 ASP C 1.0 -127.48 -71.52 PHI 54 54 A 111 GLU C A 112 GLN N A 112 GLN CA A 112 GLN C 1.0 -117.38 -43.02 PHI 55 55 A 113 LEU C A 114 LYS N A 114 LYS CA A 114 LYS C 1.0 -194.15 -68.35 PHI 56 56 A 114 LYS C A 115 ILE N A 115 ILE CA A 115 ILE C 1.0 -126.36 -72.84 PHI 57 57 A 115 ILE C A 116 LEU N A 116 LEU CA A 116 LEU C 1.0 -178.24 -97.84 PHI 58 58 A 116 LEU C A 117 ASN N A 117 ASN CA A 117 ASN C 1.0 -131.13 -27.73 PHI 59 59 A 117 ASN C A 118 LEU N A 118 LEU CA A 118 LEU C 1.0 -78.96 -47.48 PHI 60 60 A 118 LEU C A 119 ARG N A 119 ARG CA A 119 ARG C 1.0 -89.35 -44.63 PHI 61 61 A 122 GLY C A 123 LYS N A 123 LYS CA A 123 LYS C 1.0 -142.59 -52.27 PHI 62 62 A 123 LYS C A 124 LEU N A 124 LEU CA A 124 LEU C 1.0 -123.84 -77.44 PHI 63 63 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 VAL N 1.0 114.79 176.19 PSI 64 64 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 LYS N 1.0 140.68 176.12 PSI 65 65 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 VAL N 1.0 115.74 175.98 PSI 66 66 A 28 VAL N A 28 VAL CA A 28 VAL C A 29 ARG N 1.0 106.00 148.36 PSI 67 67 A 30 ASP N A 30 ASP CA A 30 ASP C A 31 THR N 1.0 -49.92 17.80 PSI 68 68 A 31 THR N A 31 THR CA A 31 THR C A 32 TYR N 1.0 -16.59 14.49 PSI 69 69 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 ASP N 1.0 -50.76 -7.84 PSI 70 70 A 35 THR N A 35 THR CA A 35 THR C A 36 GLN N 1.0 -46.78 -1.54 PSI 71 71 A 36 GLN N A 36 GLN CA A 36 GLN C A 37 VAL N 1.0 -55.16 -14.96 PSI 72 72 A 38 VAL N A 38 VAL CA A 38 VAL C A 39 GLY N 1.0 115.50 152.90 PSI 73 73 A 41 THR N A 41 THR CA A 41 THR C A 42 GLY N 1.0 114.70 184.02 PSI 74 74 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 ILE N 1.0 112.67 166.59 PSI 75 75 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 ARG N 1.0 110.13 156.29 PSI 76 76 A 46 SER N A 46 SER CA A 46 SER C A 47 VAL N 1.0 123.87 172.11 PSI 77 77 A 47 VAL N A 47 VAL CA A 47 VAL C A 48 THR N 1.0 113.04 152.60 PSI 78 78 A 48 THR N A 48 THR CA A 48 THR C A 49 GLY N 1.0 90.80 150.12 PSI 79 79 A 52 CYS N A 52 CYS CA A 52 CYS C A 53 SER N 1.0 80.16 185.76 PSI 80 80 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 TYR N 1.0 106.51 145.11 PSI 81 81 A 55 TYR N A 55 TYR CA A 55 TYR C A 56 LEU N 1.0 104.98 143.06 PSI 82 82 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 ASP N 1.0 -52.61 -2.69 PSI 83 83 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 SER N 1.0 -44.78 -12.50 PSI 84 84 A 59 SER N A 59 SER CA A 59 SER C A 60 GLU N 1.0 -29.12 22.80 PSI 85 85 A 61 LYS N A 61 LYS CA A 61 LYS C A 62 VAL N 1.0 132.90 183.50 PSI 86 86 A 62 VAL N A 62 VAL CA A 62 VAL C A 63 VAL N 1.0 108.81 155.37 PSI 87 87 A 63 VAL N A 63 VAL CA A 63 VAL C A 64 SER N 1.0 113.15 182.23 PSI 88 88 A 64 SER N A 64 SER CA A 64 SER C A 65 ILE N 1.0 112.06 144.66 PSI 89 89 A 65 ILE N A 65 ILE CA A 65 ILE C A 66 SER N 1.0 111.19 151.71 PSI 90 90 A 66 SER N A 66 SER CA A 66 SER C A 67 SER N 1.0 125.68 159.12 PSI 91 91 A 67 SER N A 67 SER CA A 67 SER C A 68 GLU N 1.0 -50.26 -28.38 PSI 92 92 A 68 GLU N A 68 GLU CA A 68 GLU C A 69 HIS N 1.0 -53.57 -1.09 PSI 93 93 A 70 LEU N A 70 LEU CA A 70 LEU C A 71 GLU N 1.0 130.80 180.72 PSI 94 94 A 71 GLU N A 71 GLU CA A 71 GLU C A 72 PRO N 1.0 123.90 188.02 PSI 95 95 A 72 PRO N A 72 PRO CA A 72 PRO C A 73 ILE N 1.0 128.57 168.49 PSI 96 96 A 73 ILE N A 73 ILE CA A 73 ILE C A 74 THR N 1.0 100.65 152.45 PSI 97 97 A 76 THR N A 76 THR CA A 76 THR C A 77 LYS N 1.0 127.49 200.97 PSI 98 98 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 LYS N 1.0 152.95 180.83 PSI 99 99 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 VAL N 1.0 106.48 167.76 PSI 100 100 A 84 ILE N A 84 ILE CA A 84 ILE C A 85 LEU N 1.0 -48.82 21.74 PSI 101 101 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 GLY N 1.0 136.18 181.62 PSI 102 102 A 87 GLU N A 87 GLU CA A 87 GLU C A 88 ASP N 1.0 -50.59 -8.19 PSI 103 103 A 88 ASP N A 88 ASP CA A 88 ASP C A 89 ARG N 1.0 -38.70 19.90 PSI 104 104 A 92 THR N A 92 THR CA A 92 THR C A 93 GLY N 1.0 138.29 185.09 PSI 105 105 A 94 VAL N A 94 VAL CA A 94 VAL C A 95 LEU N 1.0 100.55 183.07 PSI 106 106 A 95 LEU N A 95 LEU CA A 95 LEU C A 96 LEU N 1.0 98.29 135.81 PSI 107 107 A 98 ILE N A 98 ILE CA A 98 ILE C A 99 ASP N 1.0 112.73 143.09 PSI 108 108 A 99 ASP N A 99 ASP CA A 99 ASP C A 100 GLY N 1.0 80.30 157.34 PSI 109 109 A 101 GLU N A 101 GLU CA A 101 GLU C A 102 ASP N 1.0 -33.91 29.53 PSI 110 110 A 104 ILE N A 104 ILE CA A 104 ILE C A 105 VAL N 1.0 102.42 155.62 PSI 111 111 A 105 VAL N A 105 VAL CA A 105 VAL C A 106 ARG N 1.0 104.17 167.81 PSI 112 112 A 106 ARG N A 106 ARG CA A 106 ARG C A 107 MET N 1.0 97.32 137.68 PSI 113 113 A 108 ASP N A 108 ASP CA A 108 ASP C A 109 LEU N 1.0 -51.29 -14.13 PSI 114 114 A 109 LEU N A 109 LEU CA A 109 LEU C A 110 ASP N 1.0 -53.26 -12.50 PSI 115 115 A 110 ASP N A 110 ASP CA A 110 ASP C A 111 GLU N 1.0 -15.56 32.48 PSI 116 116 A 112 GLN N A 112 GLN CA A 112 GLN C A 113 LEU N 1.0 91.51 187.23 PSI 117 117 A 114 LYS N A 114 LYS CA A 114 LYS C A 115 ILE N 1.0 120.18 172.46 PSI 118 118 A 115 ILE N A 115 ILE CA A 115 ILE C A 116 LEU N 1.0 118.28 146.04 PSI 119 119 A 116 LEU N A 116 LEU CA A 116 LEU C A 117 ASN N 1.0 118.56 179.48 PSI 120 120 A 117 ASN N A 117 ASN CA A 117 ASN C A 118 LEU N 1.0 95.86 175.26 PSI 121 121 A 118 LEU N A 118 LEU CA A 118 LEU C A 119 ARG N 1.0 -59.81 -14.69 PSI 122 122 A 119 ARG N A 119 ARG CA A 119 ARG C A 120 PHE N 1.0 -44.12 -2.24 PSI 123 123 A 123 LYS N A 123 LYS CA A 123 LYS C A 124 LEU N 1.0 121.10 156.26 PSI 124 124 A 124 LEU N A 124 LEU CA A 124 LEU C A 125 LEU N 1.0 104.97 156.85 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 18 ASP N A 18 ASP H 1.0 . . . 2 2 A 19 TRP N A 19 TRP H 1.0 . . . 3 3 A 20 VAL N A 20 VAL H 1.0 . . . 4 4 A 21 THR N A 21 THR H 1.0 . . . 5 5 A 22 THR N A 22 THR H 1.0 . . . 6 6 A 23 ASP N A 23 ASP H 1.0 . . . 7 7 A 24 ILE N A 24 ILE H 1.0 . . . 8 8 A 26 VAL N A 26 VAL H 1.0 . . . 9 9 A 27 LYS N A 27 LYS H 1.0 . . . 10 10 A 28 VAL N A 28 VAL H 1.0 . . . 11 11 A 29 ARG N A 29 ARG H 1.0 . . . 12 12 A 30 ASP N A 30 ASP H 1.0 . . . 13 13 A 31 THR N A 31 THR H 1.0 . . . 14 14 A 32 TYR N A 32 TYR H 1.0 . . . 15 15 A 35 THR N A 35 THR H 1.0 . . . 16 16 A 36 GLN N A 36 GLN H 1.0 . . . 17 17 A 37 VAL N A 37 VAL H 1.0 . . . 18 18 A 39 GLY N A 39 GLY H 1.0 . . . 19 19 A 41 THR N A 41 THR H 1.0 . . . 20 20 A 42 GLY N A 42 GLY H 1.0 . . . 21 21 A 44 ILE N A 44 ILE H 1.0 . . . 22 22 A 45 ARG N A 45 ARG H 1.0 . . . 23 23 A 47 VAL N A 47 VAL H 1.0 . . . 24 24 A 53 SER N A 53 SER H 1.0 . . . 25 25 A 54 VAL N A 54 VAL H 1.0 . . . 26 26 A 55 TYR N A 55 TYR H 1.0 . . . 27 27 A 56 LEU N A 56 LEU H 1.0 . . . 28 28 A 57 LYS N A 57 LYS H 1.0 . . . 29 29 A 58 ASP N A 58 ASP H 1.0 . . . 30 30 A 59 SER N A 59 SER H 1.0 . . . 31 31 A 60 GLU N A 60 GLU H 1.0 . . . 32 32 A 61 LYS N A 61 LYS H 1.0 . . . 33 33 A 62 VAL N A 62 VAL H 1.0 . . . 34 34 A 63 VAL N A 63 VAL H 1.0 . . . 35 35 A 64 SER N A 64 SER H 1.0 . . . 36 36 A 65 ILE N A 65 ILE H 1.0 . . . 37 37 A 66 SER N A 66 SER H 1.0 . . . 38 38 A 69 HIS N A 69 HIS H 1.0 . . . 39 39 A 70 LEU N A 70 LEU H 1.0 . . . 40 40 A 71 GLU N A 71 GLU H 1.0 . . . 41 41 A 73 ILE N A 73 ILE H 1.0 . . . 42 42 A 74 THR N A 74 THR H 1.0 . . . 43 43 A 76 THR N A 76 THR H 1.0 . . . 44 44 A 77 LYS N A 77 LYS H 1.0 . . . 45 45 A 79 ASN N A 79 ASN H 1.0 . . . 46 46 A 80 LYS N A 80 LYS H 1.0 . . . 47 47 A 81 VAL N A 81 VAL H 1.0 . . . 48 48 A 82 LYS N A 82 LYS H 1.0 . . . 49 49 A 83 VAL N A 83 VAL H 1.0 . . . 50 50 A 84 ILE N A 84 ILE H 1.0 . . . 51 51 A 85 LEU N A 85 LEU H 1.0 . . . 52 52 A 86 GLY N A 86 GLY H 1.0 . . . 53 53 A 88 ASP N A 88 ASP H 1.0 . . . 54 54 A 89 ARG N A 89 ARG H 1.0 . . . 55 55 A 92 THR N A 92 THR H 1.0 . . . 56 56 A 93 GLY N A 93 GLY H 1.0 . . . 57 57 A 95 LEU N A 95 LEU H 1.0 . . . 58 58 A 96 LEU N A 96 LEU H 1.0 . . . 59 59 A 97 SER N A 97 SER H 1.0 . . . 60 60 A 98 ILE N A 98 ILE H 1.0 . . . 61 61 A 99 ASP N A 99 ASP H 1.0 . . . 62 62 A 100 GLY N A 100 GLY H 1.0 . . . 63 63 A 101 GLU N A 101 GLU H 1.0 . . . 64 64 A 105 VAL N A 105 VAL H 1.0 . . . 65 65 A 106 ARG N A 106 ARG H 1.0 . . . 66 66 A 107 MET N A 107 MET H 1.0 . . . 67 67 A 108 ASP N A 108 ASP H 1.0 . . . 68 68 A 110 ASP N A 110 ASP H 1.0 . . . 69 69 A 111 GLU N A 111 GLU H 1.0 . . . 70 70 A 112 GLN N A 112 GLN H 1.0 . . . 71 71 A 113 LEU N A 113 LEU H 1.0 . . . 72 72 A 114 LYS N A 114 LYS H 1.0 . . . 73 73 A 116 LEU N A 116 LEU H 1.0 . . . 74 74 A 117 ASN N A 117 ASN H 1.0 . . . 75 75 A 118 LEU N A 118 LEU H 1.0 . . . 76 76 A 119 ARG N A 119 ARG H 1.0 . . . 77 77 A 120 PHE N A 120 PHE H 1.0 . . . 78 78 A 121 LEU N A 121 LEU H 1.0 . . . 79 79 A 123 LYS N A 123 LYS H 1.0 . . . 80 80 A 124 LEU N A 124 LEU H 1.0 . . . stop_ save_