data_nef_c34488_6y06 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 6Y06 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 -20 MET start . . 2 A -19 GLY middle . false 3 A -18 SER middle . . 4 A -17 SER middle . . 5 A -16 HIS middle . . 6 A -15 HIS middle . . 7 A -14 HIS middle . . 8 A -13 HIS middle . . 9 A -12 HIS middle . . 10 A -11 HIS middle . . 11 A -10 SER middle . . 12 A -9 SER middle . . 13 A -8 GLY middle . false 14 A -7 LEU middle . . 15 A -6 VAL middle . . 16 A -5 PRO middle . false 17 A -4 ARG middle . . 18 A -3 GLY middle . false 19 A -2 SER middle . . 20 A -1 HIS middle . . 21 A 0 MET middle . . 22 A 1 GLU middle . . 23 A 2 ALA middle . . 24 A 3 ALA middle . . 25 A 4 ALA middle . . 26 A 5 ALA middle . . 27 A 6 ALA middle . . 28 A 7 ARG middle . . 29 A 8 ASP middle . . 30 A 9 GLU middle . . 31 A 10 SER middle . . 32 A 11 ALA middle . . 33 A 12 TYR middle . . 34 A 13 LEU middle . . 35 A 14 LYS middle . . 36 A 15 LEU middle . . 37 A 16 GLN middle . . 38 A 17 GLU middle . . 39 A 18 GLN middle . . 40 A 19 MET middle . . 41 A 20 ARG middle . . 42 A 21 LYS middle . . 43 A 22 ILE middle . . 44 A 23 ASP middle . . 45 A 24 ALA middle . . 46 A 25 ASP middle . . 47 A 26 ALA middle . . 48 A 27 ALA middle . . 49 A 28 ALA middle . . 50 A 29 LEU middle . . 51 A 30 SER middle . . 52 A 31 GLU middle . . 53 A 32 THR middle . . 54 A 33 ARG middle . . 55 A 34 THR middle . . 56 A 35 ILE middle . . 57 A 36 GLU middle . . 58 A 37 GLU middle . . 59 A 38 LEU middle . . 60 A 39 ASP middle . . 61 A 40 THR middle . . 62 A 41 PHE middle . . 63 A 42 LYS middle . . 64 A 43 LEU middle . . 65 A 44 ASP middle . . 66 A 45 VAL middle . . 67 A 46 ALA middle . . 68 A 47 ASP middle . . 69 A 48 PHE middle . . 70 A 49 VAL middle . . 71 A 50 THR middle . . 72 A 51 THR middle . . 73 A 52 VAL middle . . 74 A 53 VAL middle . . 75 A 54 GLN middle . . 76 A 55 LEU middle . . 77 A 56 ALA middle . . 78 A 57 GLU middle . . 79 A 58 GLU middle . . 80 A 59 LEU middle . . 81 A 60 GLU middle . . 82 A 61 HIS middle . . 83 A 62 ARG middle . . 84 A 63 PHE middle . . 85 A 64 GLY middle . false 86 A 65 ARG middle . . 87 A 66 ASN middle . . 88 A 67 ARG middle . . 89 A 68 ARG middle . . 90 A 69 GLY middle . false 91 A 70 ARG middle . . 92 A 71 THR middle . . 93 A 72 GLU middle . . 94 A 73 ILE middle . . 95 A 74 TYR middle . . 96 A 75 LYS middle . . 97 A 76 ILE middle . . 98 A 77 VAL middle . . 99 A 78 LYS middle . . 100 A 79 GLU middle . . 101 A 80 VAL middle . . 102 A 81 ASP middle . . 103 A 82 ARG middle . . 104 A 83 LYS middle . . 105 A 84 LEU middle . . 106 A 85 LEU middle . . 107 A 86 ASP middle . . 108 A 87 LEU middle . . 109 A 88 THR middle . . 110 A 89 ASP middle . . 111 A 90 ALA middle . . 112 A 91 VAL middle . . 113 A 92 LEU middle . . 114 A 93 ALA middle . . 115 A 94 LYS middle . . 116 A 95 GLU middle . . 117 A 96 LYS middle . . 118 A 97 LYS middle . . 119 A 98 GLY middle . false 120 A 99 GLU middle . . 121 A 100 ASP middle . . 122 A 101 ILE middle . . 123 A 102 LEU middle . . 124 A 103 ASN middle . . 125 A 104 MET middle . . 126 A 105 VAL middle . . 127 A 106 ALA middle . . 128 A 107 GLU middle . . 129 A 108 ILE middle . . 130 A 109 LYS middle . . 131 A 110 ALA middle . . 132 A 111 LEU middle . . 133 A 112 LEU middle . . 134 A 113 ILE middle . . 135 A 114 ASN middle . . 136 A 115 ILE middle . . 137 A 116 TYR middle . . 138 A 117 LYS 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 6 ALA CA C 13 54.15 0.05 A 6 ALA CB C 13 17.98 0.05 A 9 GLU CA C 13 57.13 0.05 A 9 GLU CB C 13 30.1 0.05 A 9 GLU CG C 13 35.38 0.05 A 10 SER HA H 1 4.09 0.02 A 10 SER HB2 H 1 4.36 0.02 A 10 SER HB3 H 1 4.36 0.02 A 10 SER CA C 13 60.09 0.05 A 10 SER CB C 13 62.26 0.05 A 11 ALA HA H 1 4.21 0.02 A 11 ALA HB% H 1 1.55 0.02 A 11 ALA C C 13 178.88 0.05 A 11 ALA CA C 13 54.27 0.05 A 11 ALA CB C 13 17.85 0.05 A 12 TYR H H 1 7.93 0.02 A 12 TYR HA H 1 4.23 0.02 A 12 TYR HB2 H 1 3.23 0.02 A 12 TYR HB3 H 1 3.17 0.02 A 12 TYR HD1 H 1 7.17 0.02 A 12 TYR HD2 H 1 7.17 0.02 A 12 TYR HE1 H 1 6.91 0.02 A 12 TYR HE2 H 1 6.91 0.02 A 12 TYR C C 13 178.1 0.05 A 12 TYR CA C 13 60.27 0.05 A 12 TYR CB C 13 37.06 0.05 A 12 TYR CD1 C 13 132.8 0.05 A 12 TYR CD2 C 13 132.8 0.05 A 12 TYR CE1 C 13 119.7 0.05 A 12 TYR CE2 C 13 119.7 0.05 A 12 TYR N N 15 116.43 0.05 A 13 LEU H H 1 8.01 0.02 A 13 LEU HA H 1 4.17 0.02 A 13 LEU HB2 H 1 1.97 0.02 A 13 LEU HB3 H 1 1.85 0.02 A 13 LEU HD1% H 1 1.06 0.02 A 13 LEU HD2% H 1 1.03 0.02 A 13 LEU HG H 1 1.92 0.02 A 13 LEU C C 13 179.34 0.05 A 13 LEU CA C 13 57.17 0.05 A 13 LEU CB C 13 40.63 0.05 A 13 LEU CD1 C 13 24.2 0.05 A 13 LEU CD2 C 13 22.63 0.05 A 13 LEU CG C 13 26.27 0.05 A 13 LEU N N 15 120.1 0.05 A 14 LYS H H 1 7.89 0.02 A 14 LYS HA H 1 4.21 0.02 A 14 LYS HB2 H 1 2.03 0.02 A 14 LYS HB3 H 1 2.03 0.02 A 14 LYS C C 13 178.53 0.05 A 14 LYS CA C 13 58.38 0.05 A 14 LYS CB C 13 31.12 0.05 A 14 LYS CD C 13 28.17 0.05 A 14 LYS CE C 13 41.56 0.05 A 14 LYS CG C 13 24.15 0.05 A 14 LYS N N 15 120.42 0.05 A 15 LEU H H 1 7.93 0.02 A 15 LEU HA H 1 4.17 0.02 A 15 LEU HB2 H 1 1.87 0.02 A 15 LEU HB3 H 1 1.87 0.02 A 15 LEU HD1% H 1 0.59 0.02 A 15 LEU HD2% H 1 0.4 0.02 A 15 LEU C C 13 179.36 0.05 A 15 LEU CA C 13 57.05 0.05 A 15 LEU CB C 13 40.44 0.05 A 15 LEU CD1 C 13 24.91 0.05 A 15 LEU CD2 C 13 22.48 0.05 A 15 LEU CG C 13 25.81 0.05 A 15 LEU N N 15 119.36 0.05 A 16 GLN H H 1 8.03 0.02 A 16 GLN HA H 1 4.21 0.02 A 16 GLN HB2 H 1 2.34 0.02 A 16 GLN HB3 H 1 2.26 0.02 A 16 GLN HG2 H 1 2.59 0.02 A 16 GLN HG3 H 1 2.39 0.02 A 16 GLN C C 13 179.27 0.05 A 16 GLN CA C 13 58.33 0.05 A 16 GLN CB C 13 27.98 0.05 A 16 GLN CG C 13 33.31 0.05 A 16 GLN N N 15 118.15 0.05 A 17 GLU H H 1 8.07 0.02 A 17 GLU HA H 1 4.34 0.02 A 17 GLU HB2 H 1 2.19 0.02 A 17 GLU HB3 H 1 2.12 0.02 A 17 GLU HG2 H 1 2.44 0.02 A 17 GLU HG3 H 1 2.44 0.02 A 17 GLU C C 13 177.61 0.05 A 17 GLU CA C 13 58.46 0.05 A 17 GLU CB C 13 28.54 0.05 A 17 GLU CG C 13 35.21 0.05 A 17 GLU N N 15 120.5 0.05 A 18 GLN H H 1 8.48 0.02 A 18 GLN HA H 1 4.22 0.02 A 18 GLN HB2 H 1 2.32 0.02 A 18 GLN HB3 H 1 2.26 0.02 A 18 GLN HG2 H 1 2.6 0.02 A 18 GLN HG3 H 1 2.39 0.02 A 18 GLN C C 13 178.75 0.05 A 18 GLN CA C 13 58.21 0.05 A 18 GLN CB C 13 27.88 0.05 A 18 GLN CG C 13 33.54 0.05 A 18 GLN N N 15 120.48 0.05 A 19 MET H H 1 8.64 0.02 A 19 MET HA H 1 4.42 0.02 A 19 MET HB2 H 1 2.29 0.02 A 19 MET HB3 H 1 2.23 0.02 A 19 MET HE% H 1 2.15 0.02 A 19 MET HG2 H 1 2.64 0.02 A 19 MET HG3 H 1 2.64 0.02 A 19 MET C C 13 177.11 0.05 A 19 MET CA C 13 56.46 0.05 A 19 MET CB C 13 30.41 0.05 A 19 MET CE C 13 17.08 0.05 A 19 MET CG C 13 31.72 0.05 A 19 MET N N 15 119.8 0.05 A 20 ARG H H 1 7.87 0.02 A 20 ARG HA H 1 4.26 0.02 A 20 ARG HB2 H 1 2.03 0.02 A 20 ARG HB3 H 1 1.79 0.02 A 20 ARG HD2 H 1 3.36 0.02 A 20 ARG HD3 H 1 3.36 0.02 A 20 ARG HG2 H 1 2.13 0.02 A 20 ARG HG3 H 1 2.13 0.02 A 20 ARG C C 13 179.29 0.05 A 20 ARG CA C 13 58.69 0.05 A 20 ARG CB C 13 29.01 0.05 A 20 ARG CD C 13 42.6 0.05 A 20 ARG CG C 13 27.17 0.05 A 20 ARG N N 15 119.53 0.05 A 21 LYS H H 1 7.67 0.02 A 21 LYS HA H 1 4.21 0.02 A 21 LYS HB2 H 1 2.02 0.02 A 21 LYS HB3 H 1 2.02 0.02 A 21 LYS HD2 H 1 1.76 0.02 A 21 LYS HD3 H 1 1.76 0.02 A 21 LYS HE2 H 1 3.11 0.02 A 21 LYS HE3 H 1 3.11 0.02 A 21 LYS HG2 H 1 1.62 0.02 A 21 LYS HG3 H 1 1.62 0.02 A 21 LYS C C 13 177.6 0.05 A 21 LYS CA C 13 58.53 0.05 A 21 LYS CB C 13 31.57 0.05 A 21 LYS CD C 13 28.19 0.05 A 21 LYS CE C 13 41.51 0.05 A 21 LYS CG C 13 24.1 0.05 A 21 LYS N N 15 121.48 0.05 A 22 ILE H H 1 7.99 0.02 A 22 ILE HA H 1 3.8 0.02 A 22 ILE HB H 1 2.2 0.02 A 22 ILE HG12 H 1 1.82 0.02 A 22 ILE HG13 H 1 0.79 0.02 A 22 ILE C C 13 177.57 0.05 A 22 ILE CA C 13 65.12 0.05 A 22 ILE CB C 13 36.54 0.05 A 22 ILE CG1 C 13 30.08 0.05 A 22 ILE N N 15 120.61 0.05 A 23 ASP H H 1 8.52 0.02 A 23 ASP HA H 1 4.49 0.02 A 23 ASP HB2 H 1 2.95 0.02 A 23 ASP HB3 H 1 2.78 0.02 A 23 ASP C C 13 179.11 0.05 A 23 ASP CA C 13 57.01 0.05 A 23 ASP CB C 13 39.83 0.05 A 23 ASP N N 15 120.4 0.05 A 24 ALA H H 1 7.96 0.02 A 24 ALA HA H 1 4.17 0.02 A 24 ALA HB% H 1 1.64 0.02 A 24 ALA C C 13 180.67 0.05 A 24 ALA CA C 13 54.41 0.05 A 24 ALA CB C 13 17.07 0.05 A 24 ALA N N 15 124.49 0.05 A 25 ASP H H 1 9.21 0.02 A 25 ASP HA H 1 4.6 0.02 A 25 ASP HB2 H 1 3.5 0.02 A 25 ASP HB3 H 1 3.16 0.02 A 25 ASP C C 13 178.57 0.05 A 25 ASP CA C 13 54.88 0.05 A 25 ASP CB C 13 38.26 0.05 A 25 ASP N N 15 120.56 0.05 A 26 ALA H H 1 9.22 0.02 A 26 ALA HA H 1 3.76 0.02 A 26 ALA HB% H 1 1.63 0.02 A 26 ALA C C 13 178.79 0.05 A 26 ALA CA C 13 54.24 0.05 A 26 ALA CB C 13 18.31 0.05 A 26 ALA N N 15 124.4 0.05 A 27 ALA H H 1 7.79 0.02 A 27 ALA HA H 1 4.17 0.02 A 27 ALA HB% H 1 1.67 0.02 A 27 ALA C C 13 179.05 0.05 A 27 ALA CA C 13 54.33 0.05 A 27 ALA CB C 13 16.88 0.05 A 27 ALA N N 15 121.91 0.05 A 28 ALA H H 1 7.78 0.02 A 28 ALA HA H 1 4.36 0.02 A 28 ALA HB% H 1 1.6 0.02 A 28 ALA C C 13 179.03 0.05 A 28 ALA CA C 13 54.44 0.05 A 28 ALA CB C 13 17.46 0.05 A 28 ALA N N 15 121.21 0.05 A 29 LEU H H 1 8.43 0.02 A 29 LEU HA H 1 4.17 0.02 A 29 LEU HB2 H 1 1.85 0.02 A 29 LEU HB3 H 1 1.41 0.02 A 29 LEU HD1% H 1 0.53 0.02 A 29 LEU HD2% H 1 0.89 0.02 A 29 LEU HG H 1 1.4 0.02 A 29 LEU C C 13 177.6 0.05 A 29 LEU CA C 13 56.78 0.05 A 29 LEU CB C 13 41.1 0.05 A 29 LEU CD1 C 13 25.86 0.05 A 29 LEU CD2 C 13 22.68 0.05 A 29 LEU CG C 13 26.24 0.05 A 29 LEU N N 15 118.48 0.05 A 30 SER H H 1 8.13 0.02 A 30 SER HA H 1 3.98 0.02 A 30 SER HB2 H 1 3.97 0.02 A 30 SER HB3 H 1 3.97 0.02 A 30 SER C C 13 173.79 0.05 A 30 SER CA C 13 61.24 0.05 A 30 SER CB C 13 62.19 0.05 A 30 SER N N 15 112.38 0.05 A 31 GLU H H 1 7.54 0.02 A 31 GLU HA H 1 4.43 0.02 A 31 GLU HB2 H 1 2.26 0.02 A 31 GLU HB3 H 1 2.26 0.02 A 31 GLU HG2 H 1 2.45 0.02 A 31 GLU HG3 H 1 2.36 0.02 A 31 GLU C C 13 177.44 0.05 A 31 GLU CA C 13 57.46 0.05 A 31 GLU CB C 13 30.02 0.05 A 31 GLU CG C 13 35.16 0.05 A 31 GLU N N 15 119.59 0.05 A 32 THR H H 1 8.51 0.02 A 32 THR HA H 1 4.42 0.02 A 32 THR HB H 1 4.36 0.02 A 32 THR HG2% H 1 1.41 0.02 A 32 THR C C 13 175.11 0.05 A 32 THR CA C 13 62.49 0.05 A 32 THR CB C 13 68.11 0.05 A 32 THR CG2 C 13 21.23 0.05 A 32 THR N N 15 111.27 0.05 A 33 ARG H H 1 8.6 0.02 A 33 ARG HA H 1 3.95 0.02 A 33 ARG HB2 H 1 1.67 0.02 A 33 ARG HB3 H 1 1.67 0.02 A 33 ARG HD2 H 1 3.28 0.02 A 33 ARG HD3 H 1 3.28 0.02 A 33 ARG HG2 H 1 2.11 0.02 A 33 ARG HG3 H 1 2.11 0.02 A 33 ARG C C 13 171.88 0.05 A 33 ARG CA C 13 56.18 0.05 A 33 ARG CB C 13 27.08 0.05 A 33 ARG CD C 13 42.2 0.05 A 33 ARG CG C 13 27.16 0.05 A 33 ARG N N 15 117.33 0.05 A 34 THR H H 1 7.48 0.02 A 34 THR HA H 1 4.83 0.02 A 34 THR HB H 1 4.77 0.02 A 34 THR HG2% H 1 1.4 0.02 A 34 THR C C 13 172.65 0.05 A 34 THR CA C 13 58.79 0.05 A 34 THR CB C 13 71.14 0.05 A 34 THR CG2 C 13 21.08 0.05 A 34 THR N N 15 124.75 0.05 A 35 ILE H H 1 8.6 0.02 A 35 ILE HA H 1 3.97 0.02 A 35 ILE HB H 1 1.95 0.02 A 35 ILE HG12 H 1 1.67 0.02 A 35 ILE HG13 H 1 1.48 0.02 A 35 ILE C C 13 175.29 0.05 A 35 ILE CA C 13 62.08 0.05 A 35 ILE CB C 13 36.91 0.05 A 35 ILE CG1 C 13 27.8 0.05 A 35 ILE N N 15 120.26 0.05 A 36 GLU H H 1 8.57 0.02 A 36 GLU HA H 1 4.23 0.02 A 36 GLU HB2 H 1 2.14 0.02 A 36 GLU HB3 H 1 2.02 0.02 A 36 GLU HG2 H 1 2.54 0.02 A 36 GLU HG3 H 1 2.39 0.02 A 36 GLU C C 13 179.19 0.05 A 36 GLU CA C 13 59.95 0.05 A 36 GLU CB C 13 27.8 0.05 A 36 GLU CG C 13 36.46 0.05 A 36 GLU N N 15 120.94 0.05 A 37 GLU H H 1 7.72 0.02 A 37 GLU HA H 1 4.39 0.02 A 37 GLU HB2 H 1 2.24 0.02 A 37 GLU HB3 H 1 2.17 0.02 A 37 GLU HG2 H 1 2.43 0.02 A 37 GLU HG3 H 1 2.39 0.02 A 37 GLU C C 13 179.65 0.05 A 37 GLU CA C 13 58.38 0.05 A 37 GLU CB C 13 28.89 0.05 A 37 GLU CG C 13 37.31 0.05 A 37 GLU N N 15 118.32 0.05 A 38 LEU H H 1 8.26 0.02 A 38 LEU HA H 1 4.18 0.02 A 38 LEU HB2 H 1 1.67 0.02 A 38 LEU HB3 H 1 1.58 0.02 A 38 LEU HD1% H 1 1.18 0.02 A 38 LEU HD2% H 1 1.09 0.02 A 38 LEU HG H 1 1.8 0.02 A 38 LEU C C 13 177.17 0.05 A 38 LEU CA C 13 57.3 0.05 A 38 LEU CB C 13 40.42 0.05 A 38 LEU CD1 C 13 22.76 0.05 A 38 LEU CD2 C 13 26.18 0.05 A 38 LEU CG C 13 26.63 0.05 A 38 LEU N N 15 124.13 0.05 A 39 ASP H H 1 9.07 0.02 A 39 ASP HA H 1 4.84 0.02 A 39 ASP HB2 H 1 2.93 0.02 A 39 ASP HB3 H 1 2.69 0.02 A 39 ASP C C 13 178.97 0.05 A 39 ASP CA C 13 57.3 0.05 A 39 ASP CB C 13 39.02 0.05 A 39 ASP N N 15 121.63 0.05 A 40 THR H H 1 7.82 0.02 A 40 THR HA H 1 3.95 0.02 A 40 THR HB H 1 4.44 0.02 A 40 THR HG2% H 1 1.34 0.02 A 40 THR C C 13 174.38 0.05 A 40 THR CA C 13 66.23 0.05 A 40 THR CB C 13 68.11 0.05 A 40 THR CG2 C 13 21.42 0.05 A 40 THR N N 15 117.71 0.05 A 41 PHE H H 1 7.88 0.02 A 41 PHE HA H 1 4.55 0.02 A 41 PHE HB2 H 1 3.56 0.02 A 41 PHE HB3 H 1 3.21 0.02 A 41 PHE HD1 H 1 7.14 0.02 A 41 PHE HD2 H 1 7.14 0.02 A 41 PHE HE1 H 1 7.01 0.02 A 41 PHE HE2 H 1 7.01 0.02 A 41 PHE HZ H 1 7.15 0.02 A 41 PHE C C 13 176.16 0.05 A 41 PHE CA C 13 60.9 0.05 A 41 PHE CB C 13 39 0.05 A 41 PHE CD1 C 13 131.4 0.05 A 41 PHE CD2 C 13 131.4 0.05 A 41 PHE CE1 C 13 130.5 0.05 A 41 PHE CE2 C 13 130.5 0.05 A 41 PHE CZ C 13 129.1 0.05 A 41 PHE N N 15 121.11 0.05 A 42 LYS H H 1 9.03 0.02 A 42 LYS HA H 1 3.72 0.02 A 42 LYS HB2 H 1 2.15 0.02 A 42 LYS HB3 H 1 1.99 0.02 A 42 LYS HD2 H 1 1.86 0.02 A 42 LYS HD3 H 1 1.73 0.02 A 42 LYS HE2 H 1 3.03 0.02 A 42 LYS HE3 H 1 2.98 0.02 A 42 LYS HG2 H 1 2.04 0.02 A 42 LYS HG3 H 1 1.54 0.02 A 42 LYS C C 13 178.37 0.05 A 42 LYS CA C 13 60.4 0.05 A 42 LYS CB C 13 31.6 0.05 A 42 LYS CD C 13 29.35 0.05 A 42 LYS CE C 13 40.86 0.05 A 42 LYS CG C 13 26.34 0.05 A 42 LYS N N 15 117.29 0.05 A 43 LEU H H 1 8.12 0.02 A 43 LEU HA H 1 4.17 0.02 A 43 LEU HB2 H 1 1.87 0.02 A 43 LEU HB3 H 1 1.69 0.02 A 43 LEU HD1% H 1 0.99 0.02 A 43 LEU HD2% H 1 0.98 0.02 A 43 LEU C C 13 178.23 0.05 A 43 LEU CA C 13 57.31 0.05 A 43 LEU CB C 13 40.78 0.05 A 43 LEU CD1 C 13 24.17 0.05 A 43 LEU CD2 C 13 22.99 0.05 A 43 LEU CG C 13 26.01 0.05 A 43 LEU N N 15 121.9 0.05 A 44 ASP H H 1 8.25 0.02 A 44 ASP HA H 1 4.6 0.02 A 44 ASP HB2 H 1 3.01 0.02 A 44 ASP HB3 H 1 2.55 0.02 A 44 ASP C C 13 179.55 0.05 A 44 ASP CA C 13 56.01 0.05 A 44 ASP CB C 13 37.59 0.05 A 44 ASP N N 15 120.18 0.05 A 45 VAL H H 1 8.51 0.02 A 45 VAL HA H 1 3.54 0.02 A 45 VAL HB H 1 1.98 0.02 A 45 VAL HG1% H 1 0.92 0.02 A 45 VAL HG2% H 1 0.34 0.02 A 45 VAL C C 13 177.09 0.05 A 45 VAL CA C 13 66.46 0.05 A 45 VAL CB C 13 30.37 0.05 A 45 VAL CG1 C 13 21.16 0.05 A 45 VAL CG2 C 13 22.29 0.05 A 45 VAL N N 15 122.78 0.05 A 46 ALA H H 1 8.1 0.02 A 46 ALA HA H 1 4.18 0.02 A 46 ALA HB% H 1 1.66 0.02 A 46 ALA C C 13 180.35 0.05 A 46 ALA CA C 13 54.81 0.05 A 46 ALA CB C 13 16.97 0.05 A 46 ALA N N 15 122.71 0.05 A 47 ASP H H 1 8.26 0.02 A 47 ASP HA H 1 4.46 0.02 A 47 ASP HB2 H 1 2.97 0.02 A 47 ASP HB3 H 1 2.78 0.02 A 47 ASP C C 13 178.14 0.05 A 47 ASP CA C 13 56.52 0.05 A 47 ASP CB C 13 40.05 0.05 A 47 ASP N N 15 118.82 0.05 A 48 PHE H H 1 7.9 0.02 A 48 PHE HA H 1 4.23 0.02 A 48 PHE HB2 H 1 3.56 0.02 A 48 PHE HB3 H 1 3.09 0.02 A 48 PHE HD1 H 1 7.09 0.02 A 48 PHE HD2 H 1 7.09 0.02 A 48 PHE HE1 H 1 7.34 0.02 A 48 PHE HE2 H 1 7.34 0.02 A 48 PHE HZ H 1 7.17 0.02 A 48 PHE C C 13 176.41 0.05 A 48 PHE CA C 13 61.01 0.05 A 48 PHE CB C 13 39.33 0.05 A 48 PHE CD1 C 13 131.09 0.05 A 48 PHE CD2 C 13 131.09 0.05 A 48 PHE CE1 C 13 131.05 0.05 A 48 PHE CE2 C 13 131.05 0.05 A 48 PHE CZ C 13 129.1 0.05 A 48 PHE N N 15 122.92 0.05 A 49 VAL H H 1 8.9 0.02 A 49 VAL HA H 1 3.55 0.02 A 49 VAL HB H 1 2.39 0.02 A 49 VAL HG1% H 1 1.06 0.02 A 49 VAL HG2% H 1 1.2 0.02 A 49 VAL C C 13 176.93 0.05 A 49 VAL CA C 13 66.64 0.05 A 49 VAL CB C 13 30.64 0.05 A 49 VAL CG1 C 13 21.54 0.05 A 49 VAL CG2 C 13 22.32 0.05 A 49 VAL N N 15 118.64 0.05 A 50 THR H H 1 8.49 0.02 A 50 THR HA H 1 3.94 0.02 A 50 THR HB H 1 4.44 0.02 A 50 THR HG2% H 1 1.34 0.02 A 50 THR C C 13 176.08 0.05 A 50 THR CA C 13 66.19 0.05 A 50 THR CB C 13 67.93 0.05 A 50 THR CG2 C 13 22.41 0.05 A 50 THR N N 15 115.17 0.05 A 51 THR H H 1 7.82 0.02 A 51 THR HA H 1 3.96 0.02 A 51 THR HB H 1 4.44 0.02 A 51 THR HG2% H 1 1.34 0.02 A 51 THR C C 13 176.08 0.05 A 51 THR CA C 13 66.6 0.05 A 51 THR CB C 13 67.38 0.05 A 51 THR CG2 C 13 20.91 0.05 A 51 THR N N 15 118.59 0.05 A 52 VAL H H 1 8.4 0.02 A 52 VAL HA H 1 3.6 0.02 A 52 VAL HB H 1 2.25 0.02 A 52 VAL HG1% H 1 0.87 0.02 A 52 VAL HG2% H 1 0.95 0.02 A 52 VAL C C 13 179.02 0.05 A 52 VAL CA C 13 65.94 0.05 A 52 VAL CB C 13 30.37 0.05 A 52 VAL CG1 C 13 22.56 0.05 A 52 VAL CG2 C 13 21.29 0.05 A 52 VAL N N 15 121.01 0.05 A 53 VAL H H 1 8.49 0.02 A 53 VAL HA H 1 3.65 0.02 A 53 VAL HB H 1 2.25 0.02 A 53 VAL HG1% H 1 1.08 0.02 A 53 VAL HG2% H 1 1.1 0.02 A 53 VAL C C 13 178.33 0.05 A 53 VAL CA C 13 66.31 0.05 A 53 VAL CB C 13 30.63 0.05 A 53 VAL CG1 C 13 20.63 0.05 A 53 VAL CG2 C 13 22.29 0.05 A 53 VAL N N 15 120.38 0.05 A 54 GLN H H 1 7.84 0.02 A 54 GLN HA H 1 4.23 0.02 A 54 GLN HB2 H 1 2.34 0.02 A 54 GLN HB3 H 1 2.27 0.02 A 54 GLN HG2 H 1 2.69 0.02 A 54 GLN HG3 H 1 2.5 0.02 A 54 GLN C C 13 179.04 0.05 A 54 GLN CA C 13 58.24 0.05 A 54 GLN CB C 13 27.38 0.05 A 54 GLN CG C 13 33.3 0.05 A 54 GLN N N 15 118.94 0.05 A 55 LEU H H 1 8.07 0.02 A 55 LEU HA H 1 4.31 0.02 A 55 LEU HB2 H 1 2.01 0.02 A 55 LEU HB3 H 1 1.67 0.02 A 55 LEU HD1% H 1 1.01 0.02 A 55 LEU HD2% H 1 0.78 0.02 A 55 LEU HG H 1 1.94 0.02 A 55 LEU C C 13 178.09 0.05 A 55 LEU CA C 13 56.24 0.05 A 55 LEU CB C 13 41.1 0.05 A 55 LEU CD1 C 13 22.64 0.05 A 55 LEU CD2 C 13 24.34 0.05 A 55 LEU CG C 13 25.83 0.05 A 55 LEU N N 15 119.99 0.05 A 56 ALA H H 1 8.26 0.02 A 56 ALA HA H 1 4.16 0.02 A 56 ALA HB% H 1 1.67 0.02 A 56 ALA C C 13 179.55 0.05 A 56 ALA CA C 13 54.57 0.05 A 56 ALA CB C 13 17.57 0.05 A 56 ALA N N 15 121.85 0.05 A 57 GLU H H 1 8.31 0.02 A 57 GLU HA H 1 4.2 0.02 A 57 GLU HB2 H 1 2.19 0.02 A 57 GLU HB3 H 1 2.11 0.02 A 57 GLU HG2 H 1 2.4 0.02 A 57 GLU HG3 H 1 2.4 0.02 A 57 GLU C C 13 178.15 0.05 A 57 GLU CA C 13 58.33 0.05 A 57 GLU CB C 13 28.94 0.05 A 57 GLU CG C 13 35.83 0.05 A 57 GLU N N 15 117.29 0.05 A 58 GLU H H 1 8.09 0.02 A 58 GLU HA H 1 4.3 0.02 A 58 GLU HB3 H 1 2.27 0.02 A 58 GLU HG3 H 1 2.43 0.02 A 58 GLU C C 13 178.29 0.05 A 58 GLU CA C 13 58.07 0.05 A 58 GLU CB C 13 28.9 0.05 A 58 GLU CG C 13 35.28 0.05 A 58 GLU N N 15 119.69 0.05 A 59 LEU H H 1 8.29 0.02 A 59 LEU HA H 1 4.32 0.02 A 59 LEU HB2 H 1 1.74 0.02 A 59 LEU HB3 H 1 1.67 0.02 A 59 LEU HD1% H 1 1.02 0.02 A 59 LEU HD2% H 1 0.81 0.02 A 59 LEU C C 13 178.2 0.05 A 59 LEU CA C 13 56.38 0.05 A 59 LEU CB C 13 41.03 0.05 A 59 LEU CD1 C 13 24.49 0.05 A 59 LEU CD2 C 13 22.34 0.05 A 59 LEU CG C 13 26.18 0.05 A 59 LEU N N 15 119.58 0.05 A 60 GLU H H 1 8.07 0.02 A 60 GLU HA H 1 4.28 0.02 A 60 GLU CA C 13 58.19 0.05 A 60 GLU CB C 13 28.83 0.05 A 60 GLU CG C 13 35.78 0.05 A 60 GLU N N 15 119.33 0.05 A 61 HIS HD2 H 1 7.41 0.02 A 63 PHE HA H 1 4.32 0.02 A 63 PHE HB2 H 1 3.26 0.02 A 63 PHE HB3 H 1 3.15 0.02 A 63 PHE HD1 H 1 7.22 0.02 A 63 PHE HD2 H 1 7.22 0.02 A 71 THR HG2% H 1 1.11 0.02 A 71 THR CA C 13 66.52 0.05 A 71 THR CB C 13 68.19 0.05 A 71 THR CG2 C 13 20.62 0.05 A 72 GLU HA H 1 4.19 0.02 A 72 GLU C C 13 178.23 0.05 A 72 GLU CA C 13 57.93 0.05 A 72 GLU CB C 13 28.76 0.05 A 72 GLU CG C 13 36.08 0.05 A 73 ILE H H 1 7.99 0.02 A 73 ILE HA H 1 3.75 0.02 A 73 ILE HB H 1 1.93 0.02 A 73 ILE HG12 H 1 1.63 0.02 A 73 ILE HG13 H 1 1.19 0.02 A 73 ILE C C 13 177.1 0.05 A 73 ILE CA C 13 64.29 0.05 A 73 ILE CB C 13 36.85 0.05 A 73 ILE CG1 C 13 27.99 0.05 A 73 ILE N N 15 119.55 0.05 A 74 TYR HA H 1 4.24 0.02 A 74 TYR HB2 H 1 3.29 0.02 A 74 TYR HB3 H 1 3.17 0.02 A 74 TYR HD1 H 1 7.19 0.02 A 74 TYR HD2 H 1 7.19 0.02 A 74 TYR HE1 H 1 6.9 0.02 A 74 TYR HE2 H 1 6.9 0.02 A 74 TYR C C 13 177.86 0.05 A 74 TYR CA C 13 59.48 0.05 A 74 TYR CB C 13 36.31 0.05 A 74 TYR CD1 C 13 130.3 0.05 A 74 TYR CD2 C 13 130.3 0.05 A 74 TYR CE1 C 13 118.39 0.05 A 74 TYR CE2 C 13 118.39 0.05 A 74 TYR N N 15 118.14 0.05 A 75 LYS H H 1 7.68 0.02 A 75 LYS HA H 1 4.2 0.02 A 75 LYS HB2 H 1 2.11 0.02 A 75 LYS HB3 H 1 2.11 0.02 A 75 LYS C C 13 178.34 0.05 A 75 LYS CA C 13 58.56 0.05 A 75 LYS CB C 13 31.65 0.05 A 75 LYS CD C 13 29.03 0.05 A 75 LYS CE C 13 40.31 0.05 A 75 LYS CG C 13 24.47 0.05 A 75 LYS N N 15 119.46 0.05 A 76 ILE H H 1 7.77 0.02 A 76 ILE HA H 1 3.93 0.02 A 76 ILE HB H 1 2.12 0.02 A 76 ILE HG12 H 1 1.88 0.02 A 76 ILE HG13 H 1 1.3 0.02 A 76 ILE C C 13 177.3 0.05 A 76 ILE CA C 13 64.17 0.05 A 76 ILE CB C 13 36.83 0.05 A 76 ILE CG1 C 13 28.07 0.05 A 76 ILE N N 15 120.78 0.05 A 77 VAL H H 1 8.37 0.02 A 77 VAL HA H 1 3.48 0.02 A 77 VAL HB H 1 2.25 0.02 A 77 VAL HG1% H 1 0.96 0.02 A 77 VAL HG2% H 1 1.07 0.02 A 77 VAL C C 13 177.25 0.05 A 77 VAL CA C 13 66.82 0.05 A 77 VAL CB C 13 30.69 0.05 A 77 VAL CG1 C 13 20.85 0.05 A 77 VAL CG2 C 13 22.2 0.05 A 77 VAL N N 15 119.54 0.05 A 78 LYS H H 1 7.77 0.02 A 78 LYS HA H 1 4.31 0.02 A 78 LYS HB3 H 1 2.02 0.02 A 78 LYS C C 13 179.86 0.05 A 78 LYS CA C 13 58.41 0.05 A 78 LYS CB C 13 31.15 0.05 A 78 LYS CD C 13 28.04 0.05 A 78 LYS CE C 13 41.71 0.05 A 78 LYS CG C 13 24.14 0.05 A 78 LYS N N 15 118.18 0.05 A 79 GLU H H 1 7.76 0.02 A 79 GLU HA H 1 4.2 0.02 A 79 GLU HB2 H 1 2.3 0.02 A 79 GLU HB3 H 1 2.3 0.02 A 79 GLU HG2 H 1 2.44 0.02 A 79 GLU HG3 H 1 2.44 0.02 A 79 GLU C C 13 178.72 0.05 A 79 GLU CA C 13 58.36 0.05 A 79 GLU CB C 13 28.62 0.05 A 79 GLU CG C 13 35.29 0.05 A 79 GLU N N 15 121.25 0.05 A 80 VAL H H 1 8.63 0.02 A 80 VAL HA H 1 3.48 0.02 A 80 VAL HB H 1 2.51 0.02 A 80 VAL HG1% H 1 0.96 0.02 A 80 VAL HG2% H 1 1.12 0.02 A 80 VAL C C 13 175.88 0.05 A 80 VAL CA C 13 66.87 0.05 A 80 VAL CB C 13 30.45 0.05 A 80 VAL CG1 C 13 20.83 0.05 A 80 VAL CG2 C 13 23.75 0.05 A 80 VAL N N 15 121.55 0.05 A 81 ASP H H 1 8.33 0.02 A 81 ASP HA H 1 4.47 0.02 A 81 ASP HB2 H 1 2.94 0.02 A 81 ASP HB3 H 1 2.75 0.02 A 81 ASP C C 13 178.42 0.05 A 81 ASP CA C 13 57.29 0.05 A 81 ASP CB C 13 39.99 0.05 A 81 ASP N N 15 119.63 0.05 A 82 ARG H H 1 7.8 0.02 A 82 ARG HA H 1 4.21 0.02 A 82 ARG HB2 H 1 1.86 0.02 A 82 ARG HB3 H 1 1.81 0.02 A 82 ARG HD2 H 1 3.37 0.02 A 82 ARG HD3 H 1 3.37 0.02 A 82 ARG HG2 H 1 1.87 0.02 A 82 ARG HG3 H 1 1.87 0.02 A 82 ARG C C 13 178.68 0.05 A 82 ARG CA C 13 58.43 0.05 A 82 ARG CB C 13 29.15 0.05 A 82 ARG CD C 13 42.72 0.05 A 82 ARG CG C 13 26.38 0.05 A 82 ARG N N 15 119.62 0.05 A 83 LYS H H 1 8.47 0.02 A 83 LYS HA H 1 4.34 0.02 A 83 LYS HB2 H 1 2.12 0.02 A 83 LYS HB3 H 1 1.94 0.02 A 83 LYS HD2 H 1 1.89 0.02 A 83 LYS HD3 H 1 1.7 0.02 A 83 LYS HE2 H 1 3.07 0.02 A 83 LYS HE3 H 1 3.07 0.02 A 83 LYS HG2 H 1 1.79 0.02 A 83 LYS HG3 H 1 1.69 0.02 A 83 LYS C C 13 179.58 0.05 A 83 LYS CA C 13 57.9 0.05 A 83 LYS CB C 13 31.1 0.05 A 83 LYS CD C 13 27.34 0.05 A 83 LYS CE C 13 41.47 0.05 A 83 LYS CG C 13 24.66 0.05 A 83 LYS N N 15 119.79 0.05 A 84 LEU H H 1 8.91 0.02 A 84 LEU HA H 1 4.16 0.02 A 84 LEU HB2 H 1 2.37 0.02 A 84 LEU HB3 H 1 1.49 0.02 A 84 LEU HD1% H 1 1.09 0.02 A 84 LEU HD2% H 1 1.08 0.02 A 84 LEU HG H 1 1.4 0.02 A 84 LEU C C 13 180 0.05 A 84 LEU CA C 13 57.3 0.05 A 84 LEU CB C 13 41.23 0.05 A 84 LEU CD1 C 13 25.2 0.05 A 84 LEU CD2 C 13 23.04 0.05 A 84 LEU CG C 13 26.08 0.05 A 84 LEU N N 15 120.57 0.05 A 85 LEU H H 1 7.9 0.02 A 85 LEU HA H 1 3.99 0.02 A 85 LEU HB2 H 1 1.91 0.02 A 85 LEU HB3 H 1 1.85 0.02 A 85 LEU HD1% H 1 0.93 0.02 A 85 LEU HD2% H 1 0.99 0.02 A 85 LEU C C 13 176.48 0.05 A 85 LEU CA C 13 57.93 0.05 A 85 LEU CB C 13 40.11 0.05 A 85 LEU CD1 C 13 24.24 0.05 A 85 LEU CD2 C 13 22.45 0.05 A 85 LEU CG C 13 25.86 0.05 A 85 LEU N N 15 124.38 0.05 A 86 ASP H H 1 8.01 0.02 A 86 ASP HA H 1 4.53 0.02 A 86 ASP HB2 H 1 2.96 0.02 A 86 ASP HB3 H 1 2.8 0.02 A 86 ASP C C 13 179.09 0.05 A 86 ASP CA C 13 56.97 0.05 A 86 ASP CB C 13 39.41 0.05 A 86 ASP N N 15 121.74 0.05 A 87 LEU H H 1 8.73 0.02 A 87 LEU HA H 1 4.28 0.02 A 87 LEU HB2 H 1 2.14 0.02 A 87 LEU HB3 H 1 1.8 0.02 A 87 LEU HD1% H 1 0.98 0.02 A 87 LEU HD2% H 1 0.8 0.02 A 87 LEU HG H 1 1.66 0.02 A 87 LEU C C 13 176.98 0.05 A 87 LEU CA C 13 57.17 0.05 A 87 LEU CB C 13 41.48 0.05 A 87 LEU CD1 C 13 23.96 0.05 A 87 LEU CD2 C 13 26.72 0.05 A 87 LEU CG C 13 25.84 0.05 A 87 LEU N N 15 122.68 0.05 A 88 THR H H 1 7.98 0.02 A 88 THR HA H 1 3.93 0.02 A 88 THR HB H 1 4.7 0.02 A 88 THR HG2% H 1 1.35 0.02 A 88 THR C C 13 174.62 0.05 A 88 THR CA C 13 66.51 0.05 A 88 THR CB C 13 68.29 0.05 A 88 THR CG2 C 13 19.77 0.05 A 88 THR N N 15 116.68 0.05 A 89 ASP H H 1 7.69 0.02 A 89 ASP HA H 1 4.56 0.02 A 89 ASP HB2 H 1 2.95 0.02 A 89 ASP HB3 H 1 2.76 0.02 A 89 ASP C C 13 177.93 0.05 A 89 ASP CA C 13 56.25 0.05 A 89 ASP CB C 13 39.98 0.05 A 89 ASP N N 15 119.91 0.05 A 90 ALA H H 1 7.9 0.02 A 90 ALA HA H 1 4.21 0.02 A 90 ALA HB% H 1 1.45 0.02 A 90 ALA C C 13 178.7 0.05 A 90 ALA CA C 13 54.06 0.05 A 90 ALA CB C 13 17.91 0.05 A 90 ALA N N 15 120.77 0.05 A 91 VAL H H 1 8.37 0.02 A 91 VAL HA H 1 3.67 0.02 A 91 VAL HB H 1 2.25 0.02 A 91 VAL HG1% H 1 0.86 0.02 A 91 VAL HG2% H 1 1.08 0.02 A 91 VAL C C 13 177.28 0.05 A 91 VAL CA C 13 65.23 0.05 A 91 VAL CB C 13 30.87 0.05 A 91 VAL CG1 C 13 20.45 0.05 A 91 VAL CG2 C 13 23.26 0.05 A 91 VAL N N 15 117.37 0.05 A 92 LEU H H 1 7.96 0.02 A 92 LEU HA H 1 4.33 0.02 A 92 LEU HB2 H 1 1.94 0.02 A 92 LEU HB3 H 1 1.71 0.02 A 92 LEU HD1% H 1 0.96 0.02 A 92 LEU HD2% H 1 0.99 0.02 A 92 LEU HG H 1 1.93 0.02 A 92 LEU C C 13 177.06 0.05 A 92 LEU CA C 13 55.32 0.05 A 92 LEU CB C 13 41.02 0.05 A 92 LEU CD1 C 13 21.65 0.05 A 92 LEU CD2 C 13 24.7 0.05 A 92 LEU CG C 13 26.23 0.05 A 92 LEU N N 15 118.25 0.05 A 93 ALA H H 1 7.54 0.02 A 93 ALA HA H 1 4.49 0.02 A 93 ALA HB% H 1 1.61 0.02 A 93 ALA CA C 13 51.77 0.05 A 93 ALA CB C 13 18.25 0.05 A 93 ALA N N 15 122.27 0.05 A 96 LYS HA H 1 4.53 0.02 A 96 LYS HB2 H 1 2.02 0.02 A 96 LYS HB3 H 1 1.92 0.02 A 96 LYS HD2 H 1 1.84 0.02 A 96 LYS HD3 H 1 1.84 0.02 A 96 LYS HE2 H 1 3.12 0.02 A 96 LYS HE3 H 1 3.12 0.02 A 96 LYS HG2 H 1 1.62 0.02 A 96 LYS HG3 H 1 1.62 0.02 A 96 LYS C C 13 176.59 0.05 A 96 LYS CA C 13 54.98 0.05 A 96 LYS CB C 13 32.13 0.05 A 96 LYS CD C 13 28.38 0.05 A 96 LYS CE C 13 40.94 0.05 A 96 LYS CG C 13 24.34 0.05 A 97 LYS H H 1 8.97 0.02 A 97 LYS N N 15 122.38 0.05 A 99 GLU HA H 1 4.2 0.02 A 99 GLU C C 13 177.89 0.05 A 99 GLU CA C 13 58.32 0.05 A 99 GLU CB C 13 28.58 0.05 A 99 GLU CG C 13 35.58 0.05 A 100 ASP H H 1 7.59 0.02 A 100 ASP HA H 1 4.63 0.02 A 100 ASP HB2 H 1 2.97 0.02 A 100 ASP HB3 H 1 2.79 0.02 A 100 ASP C C 13 178.11 0.05 A 100 ASP CA C 13 56.05 0.05 A 100 ASP CB C 13 39.87 0.05 A 100 ASP N N 15 118.83 0.05 A 101 ILE H H 1 7.7 0.02 A 101 ILE HA H 1 3.66 0.02 A 101 ILE HB H 1 2.12 0.02 A 101 ILE HG12 H 1 1.56 0.02 A 101 ILE HG13 H 1 1.21 0.02 A 101 ILE C C 13 176.96 0.05 A 101 ILE CA C 13 63.7 0.05 A 101 ILE CB C 13 36.39 0.05 A 101 ILE CG1 C 13 28.28 0.05 A 101 ILE N N 15 120.31 0.05 A 102 LEU H H 1 8.17 0.02 A 102 LEU HA H 1 4.18 0.02 A 102 LEU HB2 H 1 1.93 0.02 A 102 LEU HB3 H 1 1.69 0.02 A 102 LEU HD1% H 1 0.93 0.02 A 102 LEU HD2% H 1 0.98 0.02 A 102 LEU HG H 1 1.79 0.02 A 102 LEU C C 13 179.59 0.05 A 102 LEU CA C 13 57.72 0.05 A 102 LEU CB C 13 40.27 0.05 A 102 LEU CD1 C 13 22.36 0.05 A 102 LEU CD2 C 13 24.17 0.05 A 102 LEU CG C 13 26.42 0.05 A 102 LEU N N 15 119.38 0.05 A 103 ASN H H 1 8.12 0.02 A 103 ASN HA H 1 4.63 0.02 A 103 ASN HB2 H 1 3.03 0.02 A 103 ASN C C 13 177.93 0.05 A 103 ASN CA C 13 55.4 0.05 A 103 ASN CB C 13 37.15 0.05 A 103 ASN N N 15 118.55 0.05 A 104 MET H H 1 8.02 0.02 A 104 MET HA H 1 4.36 0.02 A 104 MET HB2 H 1 2.05 0.02 A 104 MET HE% H 1 2.16 0.02 A 104 MET HG2 H 1 2.14 0.02 A 104 MET HG3 H 1 2.14 0.02 A 104 MET C C 13 178.99 0.05 A 104 MET CA C 13 58.62 0.05 A 104 MET CB C 13 33.12 0.05 A 104 MET CE C 13 16.43 0.05 A 104 MET CG C 13 32.66 0.05 A 104 MET N N 15 120.38 0.05 A 105 VAL H H 1 8.45 0.02 A 105 VAL HA H 1 3.54 0.02 A 105 VAL HB H 1 2.28 0.02 A 105 VAL HG1% H 1 0.88 0.02 A 105 VAL C C 13 176.57 0.05 A 105 VAL CA C 13 66.44 0.05 A 105 VAL CB C 13 30.4 0.05 A 105 VAL CG1 C 13 20.87 0.05 A 105 VAL CG2 C 13 22.01 0.05 A 105 VAL N N 15 118.84 0.05 A 106 ALA H H 1 8.27 0.02 A 106 ALA HA H 1 4.18 0.02 A 106 ALA HB% H 1 1.67 0.02 A 106 ALA C C 13 180.44 0.05 A 106 ALA CA C 13 54.65 0.05 A 106 ALA CB C 13 17.01 0.05 A 106 ALA N N 15 122.65 0.05 A 107 GLU H H 1 7.94 0.02 A 107 GLU HA H 1 4.19 0.02 A 107 GLU C C 13 179.05 0.05 A 107 GLU CA C 13 58.73 0.05 A 107 GLU CB C 13 29.18 0.05 A 107 GLU CG C 13 35.76 0.05 A 107 GLU N N 15 118.82 0.05 A 108 ILE H H 1 7.97 0.02 A 108 ILE HA H 1 3.73 0.02 A 108 ILE HB H 1 2.26 0.02 A 108 ILE HG12 H 1 2.16 0.02 A 108 ILE HG13 H 1 1.03 0.02 A 108 ILE C C 13 176.76 0.05 A 108 ILE CA C 13 65.63 0.05 A 108 ILE CB C 13 37.51 0.05 A 108 ILE CG1 C 13 30.24 0.05 A 108 ILE N N 15 120.06 0.05 A 109 LYS H H 1 8.67 0.02 A 109 LYS HA H 1 3.77 0.02 A 109 LYS HB2 H 1 1.97 0.02 A 109 LYS HB3 H 1 1.97 0.02 A 109 LYS HD2 H 1 1.85 0.02 A 109 LYS HD3 H 1 1.73 0.02 A 109 LYS HE2 H 1 3.02 0.02 A 109 LYS HE3 H 1 3.02 0.02 A 109 LYS HG2 H 1 1.73 0.02 A 109 LYS HG3 H 1 1.42 0.02 A 109 LYS C C 13 177.04 0.05 A 109 LYS CA C 13 60.25 0.05 A 109 LYS CB C 13 31.23 0.05 A 109 LYS CD C 13 28.68 0.05 A 109 LYS CE C 13 40.25 0.05 A 109 LYS CG C 13 24.68 0.05 A 109 LYS N N 15 118.65 0.05 A 110 ALA H H 1 7.88 0.02 A 110 ALA HA H 1 4.16 0.02 A 110 ALA HB% H 1 1.58 0.02 A 110 ALA C C 13 179.75 0.05 A 110 ALA CA C 13 54.24 0.05 A 110 ALA CB C 13 17.17 0.05 A 110 ALA N N 15 118.57 0.05 A 111 LEU H H 1 7.59 0.02 A 111 LEU HA H 1 4.16 0.02 A 111 LEU HB2 H 1 1.99 0.02 A 111 LEU HB3 H 1 1.72 0.02 A 111 LEU HD1% H 1 0.96 0.02 A 111 LEU HD2% H 1 1.03 0.02 A 111 LEU HG H 1 1.9 0.02 A 111 LEU C C 13 178.52 0.05 A 111 LEU CA C 13 57.08 0.05 A 111 LEU CB C 13 41.61 0.05 A 111 LEU CD1 C 13 25.36 0.05 A 111 LEU CD2 C 13 22.53 0.05 A 111 LEU CG C 13 26.32 0.05 A 111 LEU N N 15 118.32 0.05 A 112 LEU H H 1 7.78 0.02 A 112 LEU HA H 1 4.1 0.02 A 112 LEU HB2 H 1 1.83 0.02 A 112 LEU HB3 H 1 1.24 0.02 A 112 LEU HD1% H 1 0.65 0.02 A 112 LEU HD2% H 1 0.86 0.02 A 112 LEU C C 13 179.49 0.05 A 112 LEU CA C 13 56.62 0.05 A 112 LEU CB C 13 40.12 0.05 A 112 LEU CD1 C 13 25.06 0.05 A 112 LEU CD2 C 13 21.67 0.05 A 112 LEU CG C 13 25.2 0.05 A 112 LEU N N 15 116.17 0.05 A 113 ILE H H 1 8.21 0.02 A 113 ILE HA H 1 4.03 0.02 A 113 ILE HB H 1 2.02 0.02 A 113 ILE HG12 H 1 1.73 0.02 A 113 ILE HG13 H 1 1.41 0.02 A 113 ILE C C 13 176.86 0.05 A 113 ILE CA C 13 63 0.05 A 113 ILE CB C 13 37.13 0.05 A 113 ILE CG1 C 13 28.13 0.05 A 113 ILE N N 15 116.73 0.05 A 114 ASN H H 1 7.56 0.02 A 114 ASN HA H 1 4.72 0.02 A 114 ASN HB2 H 1 3.08 0.02 A 114 ASN HB3 H 1 2.97 0.02 A 114 ASN C C 13 176.1 0.05 A 114 ASN CA C 13 53.77 0.05 A 114 ASN CB C 13 38.37 0.05 A 114 ASN N N 15 116.82 0.05 A 115 ILE H H 1 7.68 0.02 A 115 ILE HB H 1 2.29 0.02 A 115 ILE HG12 H 1 2.14 0.02 A 115 ILE HG13 H 1 1.3 0.02 A 115 ILE C C 13 174.52 0.05 A 115 ILE CA C 13 63.95 0.05 A 115 ILE CB C 13 37.21 0.05 A 115 ILE CG1 C 13 28.19 0.05 A 115 ILE N N 15 117.04 0.05 A 116 TYR H H 1 7.67 0.02 A 116 TYR HA H 1 4.91 0.02 A 116 TYR HB2 H 1 3.2 0.02 A 116 TYR HB3 H 1 2.95 0.02 A 116 TYR HD1 H 1 7.15 0.02 A 116 TYR HD2 H 1 7.15 0.02 A 116 TYR HE1 H 1 6.81 0.02 A 116 TYR HE2 H 1 6.81 0.02 A 116 TYR C C 13 173.64 0.05 A 116 TYR CA C 13 56.21 0.05 A 116 TYR CB C 13 39.54 0.05 A 116 TYR CD1 C 13 133.64 0.05 A 116 TYR CD2 C 13 133.64 0.05 A 116 TYR CE1 C 13 120.92 0.05 A 116 TYR CE2 C 13 120.92 0.05 A 116 TYR N N 15 117.34 0.05 A 117 LYS H H 1 7.53 0.02 A 117 LYS HA H 1 4.12 0.02 A 117 LYS HB2 H 1 1.79 0.02 A 117 LYS HB3 H 1 1.68 0.02 A 117 LYS HD2 H 1 1.68 0.02 A 117 LYS HD3 H 1 1.68 0.02 A 117 LYS HE2 H 1 3.03 0.02 A 117 LYS HE3 H 1 3.03 0.02 A 117 LYS HG2 H 1 1.3 0.02 A 117 LYS HG3 H 1 1.3 0.02 A 117 LYS CA C 13 56.96 0.05 A 117 LYS CB C 13 32.98 0.05 A 117 LYS CD C 13 28.26 0.05 A 117 LYS CE C 13 41.42 0.05 A 117 LYS CG C 13 23.83 0.05 A 117 LYS N N 15 109.74 0.05 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 74 TYR HD1 A 53 VAL HG1% 1.0 0.0 4.8 2 2 A 53 VAL HG1% A 74 TYR HE1 1.0 0.0 4.0 3 3 A 41 PHE HZ A 84 LEU HD2% 1.0 0.0 3.5 4 4 A 41 PHE HZ A 22 ILE HG21 1.0 0.0 3.5 5 5 A 22 ILE HG21 A 45 VAL HG2% 1.0 0.0 4.3 6 6 A 22 ILE HD11 A 48 PHE HD2 1.0 0.0 4.3 7 7 A 91 VAL HG2% A 29 LEU HD1% 1.0 0.0 4.8 8 8 A 48 PHE HD1 A 112 LEU HD2% 1.0 0.0 3.5 9 9 A 48 PHE HE1 A 112 LEU HB2 1.0 0.0 4.5 10 10 A 112 LEU HD2% A 48 PHE HE1 1.0 0.0 4.0 11 11 A 48 PHE HD2 A 15 LEU HD2% 1.0 0.0 4.8 12 12 A 48 PHE HD2 A 18 GLN HB2 1.0 0.0 4.8 13 12 A 48 PHE HD2 A 18 GLN HB3 1.0 0.0 4.8 14 13 A 48 PHE HD2 A 18 GLN HG2 1.0 0.0 4.3 15 13 A 48 PHE HD2 A 18 GLN HG3 1.0 0.0 4.3 16 14 A 48 PHE HZ A 113 ILE HA 1.0 0.0 4.5 17 15 A 48 PHE HD1 A 112 LEU HD1% 1.0 0.0 4.8 18 16 A 101 ILE HD11 A 33 ARG HA 1.0 0.0 4.8 19 17 A 101 ILE HG21 A 30 SER HA 1.0 0.0 4.0 20 18 A 73 ILE HD11 A 56 ALA HA 1.0 0.0 4.8 21 19 A 108 ILE HG21 A 41 PHE HE2 1.0 0.0 4.0 22 20 A 41 PHE HZ A 108 ILE HG21 1.0 0.0 4.3 23 21 A 15 LEU HD1% A 52 VAL HA 1.0 0.0 4.0 24 22 A 15 LEU HD2% A 52 VAL HA 1.0 0.0 4.8 stop_ save_