data_nef_c16072_2kcd save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 THR middle . . 3 A 3 LEU middle . . 4 A 4 GLU middle . . 5 A 5 LEU middle . . 6 A 6 GLN middle . . 7 A 7 LEU middle . . 8 A 8 LYS middle . . 9 A 9 HIS middle . . 10 A 10 TYR middle . . 11 A 11 ILE middle . . 12 A 12 THR middle . . 13 A 13 ASN middle . . 14 A 14 LEU middle . . 15 A 15 PHE middle . . 16 A 16 ASN middle . . 17 A 17 LEU middle . . 18 A 18 PRO middle . false 19 A 19 ARG middle . . 20 A 20 ASP middle . . 21 A 21 GLU middle . . 22 A 22 LYS middle . . 23 A 23 TRP middle . . 24 A 24 GLU middle . . 25 A 25 CYS middle . . 26 A 26 GLU middle . . 27 A 27 SER middle . . 28 A 28 ILE middle . . 29 A 29 GLU middle . . 30 A 30 GLU middle . . 31 A 31 VAL middle . . 32 A 32 ALA middle . . 33 A 33 ASP middle . . 34 A 34 ASP middle . . 35 A 35 ILE middle . . 36 A 36 LEU middle . . 37 A 37 PRO middle . false 38 A 38 ASP middle . . 39 A 39 GLN middle . . 40 A 40 TYR middle . . 41 A 41 VAL middle . . 42 A 42 ARG middle . . 43 A 43 LEU middle . . 44 A 44 GLY middle . false 45 A 45 PRO middle . false 46 A 46 LEU middle . . 47 A 47 SER middle . . 48 A 48 ASN middle . . 49 A 49 LYS middle . . 50 A 50 ILE middle . . 51 A 51 LEU middle . . 52 A 52 GLN middle . . 53 A 53 THR middle . . 54 A 54 ASN middle . . 55 A 55 THR middle . . 56 A 56 TYR middle . . 57 A 57 TYR middle . . 58 A 58 SER middle . . 59 A 59 ASP middle . . 60 A 60 THR middle . . 61 A 61 LEU middle . . 62 A 62 HIS middle . . 63 A 63 LYS middle . . 64 A 64 SER middle . . 65 A 65 ASN middle . . 66 A 66 ILE middle . . 67 A 67 TYR middle . . 68 A 68 PRO middle . false 69 A 69 PHE middle . . 70 A 70 ILE middle . . 71 A 71 LEU middle . . 72 A 72 TYR middle . . 73 A 73 TYR middle . . 74 A 74 GLN middle . . 75 A 75 LYS middle . . 76 A 76 GLN middle . . 77 A 77 LEU middle . . 78 A 78 ILE middle . . 79 A 79 ALA middle . . 80 A 80 ILE middle . . 81 A 81 GLY middle . false 82 A 82 PHE middle . . 83 A 83 ILE middle . . 84 A 84 ASP middle . . 85 A 85 GLU middle . . 86 A 86 ASN middle . . 87 A 87 HIS middle . . 88 A 88 ASP middle . . 89 A 89 MET middle . . 90 A 90 ASP middle . . 91 A 91 PHE middle . . 92 A 92 LEU middle . . 93 A 93 TYR middle . . 94 A 94 LEU middle . . 95 A 95 HIS middle . . 96 A 96 ASN middle . . 97 A 97 THR middle . . 98 A 98 VAL middle . . 99 A 99 MET middle . . 100 A 100 PRO middle . false 101 A 101 LEU middle . . 102 A 102 LEU middle . . 103 A 103 ASP middle . . 104 A 104 GLN middle . . 105 A 105 ARG middle . . 106 A 106 TYR middle . . 107 A 107 LEU middle . . 108 A 108 LEU middle . . 109 A 109 THR middle . . 110 A 110 GLY middle . false 111 A 111 GLY middle . false 112 A 112 GLN middle . . 113 A 113 LEU middle . . 114 A 114 GLU middle . . 115 A 115 HIS middle . . 116 A 116 HIS middle . . 117 A 117 HIS middle . . 118 A 118 HIS middle . . 119 A 119 HIS middle . . 120 A 120 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 THR HA H 1 4.30 0.02 A 2 THR HB H 1 4.62 0.02 A 2 THR HG2% H 1 1.32 0.02 A 2 THR C C 13 174.8 0.2 A 2 THR CA C 13 61.1 0.2 A 2 THR CB C 13 70.4 0.2 A 2 THR CG2 C 13 21.9 0.2 A 3 LEU H H 1 8.76 0.02 A 3 LEU HA H 1 4.11 0.02 A 3 LEU HBx H 1 1.61 0.02 A 3 LEU HBy H 1 1.68 0.02 A 3 LEU HDx% H 1 0.90 0.02 A 3 LEU HDy% H 1 0.92 0.02 A 3 LEU HG H 1 1.58 0.02 A 3 LEU C C 13 178.3 0.2 A 3 LEU CA C 13 57.8 0.2 A 3 LEU CB C 13 41.6 0.2 A 3 LEU CDx C 13 23.7 0.02 A 3 LEU CDy C 13 25.5 0.02 A 3 LEU CG C 13 27.1 0.2 A 3 LEU N N 15 123.6 0.2 A 4 GLU H H 1 8.74 0.02 A 4 GLU HA H 1 3.67 0.02 A 4 GLU HBx H 1 1.92 0.02 A 4 GLU HBy H 1 2.06 0.02 A 4 GLU HGx H 1 2.14 0.02 A 4 GLU HGy H 1 2.14 0.02 A 4 GLU C C 13 177.9 0.2 A 4 GLU CA C 13 60.0 0.2 A 4 GLU CB C 13 29.2 0.2 A 4 GLU CG C 13 36.4 0.2 A 4 GLU N N 15 116.5 0.2 A 5 LEU H H 1 7.34 0.02 A 5 LEU HA H 1 3.90 0.02 A 5 LEU HBx H 1 1.43 0.02 A 5 LEU HBy H 1 1.65 0.02 A 5 LEU HD1% H 1 0.82 0.02 A 5 LEU HD2% H 1 0.73 0.02 A 5 LEU HG H 1 1.41 0.02 A 5 LEU C C 13 178.9 0.2 A 5 LEU CA C 13 56.9 0.2 A 5 LEU CB C 13 41.2 0.2 A 5 LEU CD1 C 13 24.6 0.02 A 5 LEU CD2 C 13 23.3 0.02 A 5 LEU CG C 13 27.0 0.2 A 5 LEU N N 15 120.5 0.2 A 6 GLN H H 1 8.35 0.02 A 6 GLN HA H 1 3.97 0.02 A 6 GLN HBx H 1 2.04 0.02 A 6 GLN HBy H 1 2.04 0.02 A 6 GLN HGx H 1 2.25 0.02 A 6 GLN HGy H 1 2.36 0.02 A 6 GLN C C 13 179.7 0.2 A 6 GLN CA C 13 59.1 0.2 A 6 GLN CB C 13 29.1 0.2 A 6 GLN CG C 13 34.5 0.2 A 6 GLN N N 15 120.8 0.2 A 7 LEU H H 1 8.62 0.02 A 7 LEU HA H 1 4.01 0.02 A 7 LEU HBx H 1 1.24 0.02 A 7 LEU HBy H 1 2.03 0.02 A 7 LEU HD1% H 1 0.96 0.02 A 7 LEU HD2% H 1 0.95 0.02 A 7 LEU HG H 1 1.57 0.02 A 7 LEU C C 13 176.9 0.2 A 7 LEU CA C 13 57.8 0.2 A 7 LEU CB C 13 41.7 0.2 A 7 LEU CD1 C 13 22.5 0.02 A 7 LEU CD2 C 13 26.7 0.02 A 7 LEU CG C 13 27.2 0.2 A 7 LEU N N 15 121.0 0.2 A 8 LYS H H 1 7.75 0.02 A 8 LYS HA H 1 3.57 0.02 A 8 LYS HBx H 1 0.80 0.02 A 8 LYS HBy H 1 1.37 0.02 A 8 LYS HDx H 1 0.50 0.02 A 8 LYS HDy H 1 0.91 0.02 A 8 LYS HEx H 1 1.67 0.02 A 8 LYS HEy H 1 2.02 0.02 A 8 LYS HGy H 1 0.36 0.02 A 8 LYS HGx H 1 -0.93 0.02 A 8 LYS C C 13 179.4 0.2 A 8 LYS CA C 13 59.0 0.2 A 8 LYS CB C 13 32.4 0.2 A 8 LYS CD C 13 29.6 0.2 A 8 LYS CE C 13 41.4 0.2 A 8 LYS CG C 13 23.9 0.2 A 8 LYS N N 15 119.7 0.2 A 9 HIS H H 1 8.52 0.02 A 9 HIS HA H 1 4.05 0.02 A 9 HIS HBx H 1 3.13 0.02 A 9 HIS HBy H 1 3.13 0.02 A 9 HIS C C 13 176.5 0.2 A 9 HIS CA C 13 59.4 0.2 A 9 HIS CB C 13 29.9 0.2 A 9 HIS N N 15 120.5 0.2 A 10 TYR H H 1 7.99 0.02 A 10 TYR HA H 1 4.16 0.02 A 10 TYR HBx H 1 2.99 0.02 A 10 TYR HBy H 1 3.27 0.02 A 10 TYR HDx H 1 6.93 0.02 A 10 TYR HDy H 1 6.93 0.02 A 10 TYR HEx H 1 6.69 0.02 A 10 TYR HEy H 1 6.69 0.02 A 10 TYR C C 13 177.4 0.2 A 10 TYR CA C 13 61.8 0.2 A 10 TYR CB C 13 39.5 0.2 A 10 TYR CDx C 13 132.4 0.02 A 10 TYR CDy C 13 132.4 0.02 A 10 TYR CEx C 13 118.5 0.02 A 10 TYR CEy C 13 118.5 0.02 A 10 TYR N N 15 119.2 0.2 A 11 ILE H H 1 8.71 0.02 A 11 ILE HA H 1 3.54 0.02 A 11 ILE HB H 1 2.47 0.02 A 11 ILE HD1% H 1 0.58 0.02 A 11 ILE HG1x H 1 1.42 0.02 A 11 ILE HG1y H 1 2.03 0.02 A 11 ILE HG2% H 1 0.90 0.02 A 11 ILE CA C 13 61.6 0.2 A 11 ILE CB C 13 36.2 0.2 A 11 ILE CD1 C 13 9.4 0.2 A 11 ILE CG1 C 13 27.7 0.2 A 11 ILE CG2 C 13 17.2 0.2 A 11 ILE N N 15 118.9 0.2 A 12 THR HA H 1 3.84 0.02 A 12 THR HB H 1 4.17 0.02 A 12 THR HG2% H 1 1.26 0.02 A 12 THR C C 13 176.9 0.2 A 12 THR CA C 13 66.4 0.2 A 12 THR CB C 13 68.3 0.2 A 12 THR CG2 C 13 22.3 0.2 A 13 ASN H H 1 7.44 0.02 A 13 ASN HA H 1 4.42 0.02 A 13 ASN HBx H 1 2.58 0.02 A 13 ASN HBy H 1 2.69 0.02 A 13 ASN HD21 H 1 7.55 0.02 A 13 ASN HD22 H 1 6.66 0.02 A 13 ASN C C 13 176.7 0.2 A 13 ASN CA C 13 55.9 0.2 A 13 ASN CB C 13 38.6 0.2 A 13 ASN CG C 13 176.2 0.2 A 13 ASN N N 15 118.3 0.2 A 13 ASN ND2 N 15 113.3 0.2 A 14 LEU H H 1 7.89 0.02 A 14 LEU HA H 1 3.66 0.02 A 14 LEU HBx H 1 0.72 0.02 A 14 LEU HBy H 1 1.04 0.02 A 14 LEU HD1% H 1 0.48 0.02 A 14 LEU HD2% H 1 0.36 0.02 A 14 LEU HG H 1 0.17 0.02 A 14 LEU C C 13 177.9 0.2 A 14 LEU CA C 13 57.6 0.2 A 14 LEU CB C 13 42.6 0.2 A 14 LEU CD1 C 13 22.5 0.02 A 14 LEU CD2 C 13 25.9 0.02 A 14 LEU CG C 13 25.9 0.2 A 14 LEU N N 15 122.1 0.2 A 15 PHE H H 1 7.67 0.02 A 15 PHE HA H 1 4.49 0.02 A 15 PHE HBx H 1 2.36 0.02 A 15 PHE HBy H 1 3.28 0.02 A 15 PHE HDx H 1 7.14 0.02 A 15 PHE HDy H 1 7.14 0.02 A 15 PHE HEx H 1 6.74 0.02 A 15 PHE HEy H 1 6.74 0.02 A 15 PHE C C 13 173.8 0.2 A 15 PHE CA C 13 57.9 0.2 A 15 PHE CB C 13 38.9 0.2 A 15 PHE CDx C 13 131.1 0.02 A 15 PHE CDy C 13 131.1 0.02 A 15 PHE CEx C 13 131.2 0.02 A 15 PHE CEy C 13 131.2 0.02 A 15 PHE N N 15 111.8 0.2 A 16 ASN H H 1 7.45 0.02 A 16 ASN HA H 1 4.42 0.02 A 16 ASN HBx H 1 2.59 0.02 A 16 ASN HBy H 1 3.12 0.02 A 16 ASN HD21 H 1 7.54 0.02 A 16 ASN HD22 H 1 6.73 0.02 A 16 ASN C C 13 174.2 0.2 A 16 ASN CA C 13 54.1 0.2 A 16 ASN CB C 13 36.5 0.2 A 16 ASN CG C 13 178.3 0.2 A 16 ASN N N 15 118.5 0.2 A 16 ASN ND2 N 15 112.0 0.2 A 17 LEU H H 1 8.41 0.02 A 17 LEU HA H 1 4.63 0.02 A 17 LEU HBx H 1 1.41 0.02 A 17 LEU HBy H 1 1.81 0.02 A 17 LEU HD1% H 1 0.79 0.02 A 17 LEU HD2% H 1 0.67 0.02 A 17 LEU HG H 1 1.53 0.02 A 17 LEU CA C 13 52.3 0.2 A 17 LEU CB C 13 41.0 0.2 A 17 LEU CD1 C 13 26.3 0.02 A 17 LEU CD2 C 13 21.5 0.02 A 17 LEU CG C 13 26.7 0.2 A 17 LEU N N 15 118.7 0.2 A 18 PRO HA H 1 4.38 0.02 A 18 PRO HBx H 1 1.92 0.02 A 18 PRO HBy H 1 2.33 0.02 A 18 PRO HDx H 1 3.59 0.02 A 18 PRO HDy H 1 3.80 0.02 A 18 PRO HGx H 1 2.03 0.02 A 18 PRO HGy H 1 2.11 0.02 A 18 PRO C C 13 178.6 0.2 A 18 PRO CA C 13 63.1 0.2 A 18 PRO CB C 13 31.8 0.2 A 18 PRO CD C 13 50.3 0.2 A 18 PRO CG C 13 28.0 0.2 A 19 ARG H H 1 8.65 0.02 A 19 ARG HA H 1 3.82 0.02 A 19 ARG HBx H 1 1.72 0.02 A 19 ARG HBy H 1 1.77 0.02 A 19 ARG HDx H 1 3.10 0.02 A 19 ARG HDy H 1 3.10 0.02 A 19 ARG HGx H 1 1.63 0.02 A 19 ARG HGy H 1 1.63 0.02 A 19 ARG C C 13 176.5 0.2 A 19 ARG CA C 13 58.1 0.2 A 19 ARG CB C 13 30.3 0.2 A 19 ARG CD C 13 42.5 0.2 A 19 ARG CG C 13 27.3 0.2 A 19 ARG N N 15 124.6 0.2 A 20 ASP H H 1 8.39 0.02 A 20 ASP HA H 1 4.55 0.02 A 20 ASP HBx H 1 2.64 0.02 A 20 ASP HBy H 1 2.64 0.02 A 20 ASP C C 13 175.7 0.2 A 20 ASP CA C 13 53.0 0.2 A 20 ASP CB C 13 40.4 0.2 A 20 ASP N N 15 114.3 0.2 A 21 GLU H H 1 6.78 0.02 A 21 GLU HA H 1 4.15 0.02 A 21 GLU HBx H 1 1.98 0.02 A 21 GLU HBy H 1 2.21 0.02 A 21 GLU HGx H 1 2.43 0.02 A 21 GLU HGy H 1 2.65 0.02 A 21 GLU C C 13 175.4 0.2 A 21 GLU CA C 13 56.2 0.2 A 21 GLU CB C 13 31.6 0.2 A 21 GLU CG C 13 36.5 0.2 A 21 GLU N N 15 121.6 0.2 A 22 LYS H H 1 8.86 0.02 A 22 LYS HA H 1 4.16 0.02 A 22 LYS HBx H 1 1.87 0.02 A 22 LYS HBy H 1 1.87 0.02 A 22 LYS HDx H 1 1.68 0.02 A 22 LYS HDy H 1 1.73 0.02 A 22 LYS HEx H 1 3.01 0.02 A 22 LYS HEy H 1 3.01 0.02 A 22 LYS HGx H 1 1.35 0.02 A 22 LYS HGy H 1 1.46 0.02 A 22 LYS C C 13 176.1 0.2 A 22 LYS CA C 13 57.2 0.2 A 22 LYS CB C 13 33.0 0.2 A 22 LYS CD C 13 29.0 0.2 A 22 LYS CE C 13 41.9 0.2 A 22 LYS CG C 13 24.7 0.2 A 22 LYS N N 15 128.9 0.2 A 23 TRP H H 1 8.75 0.02 A 23 TRP HA H 1 5.40 0.02 A 23 TRP HBx H 1 3.19 0.02 A 23 TRP HBy H 1 3.28 0.02 A 23 TRP HD1 H 1 6.94 0.02 A 23 TRP HE1 H 1 10.68 0.02 A 23 TRP HE3 H 1 7.16 0.02 A 23 TRP HH2 H 1 6.74 0.02 A 23 TRP HZ2 H 1 7.05 0.02 A 23 TRP HZ3 H 1 6.32 0.02 A 23 TRP C C 13 176.5 0.2 A 23 TRP CA C 13 54.6 0.2 A 23 TRP CB C 13 31.1 0.2 A 23 TRP CD1 C 13 124.1 0.2 A 23 TRP CE3 C 13 121.8 0.2 A 23 TRP CH2 C 13 123.4 0.2 A 23 TRP CZ2 C 13 113.8 0.2 A 23 TRP CZ3 C 13 119.0 0.2 A 23 TRP N N 15 126.1 0.2 A 23 TRP NE1 N 15 129.6 0.2 A 24 GLU H H 1 9.04 0.02 A 24 GLU HA H 1 4.59 0.02 A 24 GLU HBx H 1 1.05 0.02 A 24 GLU HBy H 1 1.88 0.02 A 24 GLU HGx H 1 2.13 0.02 A 24 GLU HGy H 1 2.18 0.02 A 24 GLU C C 13 174.1 0.2 A 24 GLU CA C 13 54.2 0.2 A 24 GLU CB C 13 31.6 0.2 A 24 GLU CG C 13 35.8 0.2 A 24 GLU N N 15 122.7 0.2 A 25 CYS H H 1 8.74 0.02 A 25 CYS HA H 1 4.87 0.02 A 25 CYS HBx H 1 2.61 0.02 A 25 CYS HBy H 1 2.67 0.02 A 25 CYS C C 13 174.4 0.2 A 25 CYS CA C 13 57.2 0.2 A 25 CYS CB C 13 30.2 0.2 A 25 CYS N N 15 119.9 0.2 A 26 GLU H H 1 9.22 0.02 A 26 GLU HA H 1 4.74 0.02 A 26 GLU HBx H 1 1.95 0.02 A 26 GLU HBy H 1 2.13 0.02 A 26 GLU HGx H 1 2.13 0.02 A 26 GLU HGy H 1 2.13 0.02 A 26 GLU C C 13 175.0 0.2 A 26 GLU CA C 13 55.1 0.2 A 26 GLU CB C 13 31.7 0.2 A 26 GLU CG C 13 36.4 0.2 A 26 GLU N N 15 131.2 0.2 A 27 SER H H 1 8.90 0.02 A 27 SER HA H 1 5.75 0.02 A 27 SER HBx H 1 3.62 0.02 A 27 SER HBy H 1 3.84 0.02 A 27 SER C C 13 173.6 0.2 A 27 SER CA C 13 56.7 0.2 A 27 SER CB C 13 64.2 0.2 A 27 SER N N 15 125.1 0.2 A 28 ILE H H 1 8.54 0.02 A 28 ILE HA H 1 4.68 0.02 A 28 ILE HB H 1 1.86 0.02 A 28 ILE HD1% H 1 0.79 0.02 A 28 ILE HG1x H 1 1.06 0.02 A 28 ILE HG1y H 1 1.28 0.02 A 28 ILE HG2% H 1 0.86 0.02 A 28 ILE C C 13 174.1 0.2 A 28 ILE CA C 13 59.8 0.2 A 28 ILE CB C 13 42.7 0.2 A 28 ILE CD1 C 13 13.6 0.2 A 28 ILE CG1 C 13 26.5 0.2 A 28 ILE CG2 C 13 17.7 0.2 A 28 ILE N N 15 123.2 0.2 A 29 GLU H H 1 8.43 0.02 A 29 GLU HA H 1 5.43 0.02 A 29 GLU HBx H 1 1.77 0.02 A 29 GLU HBy H 1 1.91 0.02 A 29 GLU HGx H 1 2.09 0.02 A 29 GLU HGy H 1 2.38 0.02 A 29 GLU C C 13 176.0 0.2 A 29 GLU CA C 13 55.6 0.2 A 29 GLU CB C 13 31.2 0.2 A 29 GLU CG C 13 37.6 0.2 A 29 GLU N N 15 123.9 0.2 A 30 GLU H H 1 8.85 0.02 A 30 GLU HA H 1 4.73 0.02 A 30 GLU HBx H 1 1.63 0.02 A 30 GLU HBy H 1 1.94 0.02 A 30 GLU HGx H 1 2.09 0.02 A 30 GLU HGy H 1 2.17 0.02 A 30 GLU C C 13 174.3 0.2 A 30 GLU CA C 13 54.7 0.2 A 30 GLU CB C 13 34.4 0.2 A 30 GLU CG C 13 35.4 0.2 A 30 GLU N N 15 121.9 0.2 A 31 VAL H H 1 9.26 0.02 A 31 VAL HA H 1 4.25 0.02 A 31 VAL HB H 1 2.01 0.02 A 31 VAL HG1% H 1 0.97 0.02 A 31 VAL HG2% H 1 1.00 0.02 A 31 VAL C C 13 177.7 0.2 A 31 VAL CA C 13 62.5 0.2 A 31 VAL CB C 13 31.8 0.2 A 31 VAL CG1 C 13 21.5 0.02 A 31 VAL CG2 C 13 22.2 0.02 A 31 VAL N N 15 124.5 0.2 A 32 ALA H H 1 9.25 0.02 A 32 ALA HA H 1 3.71 0.02 A 32 ALA HB% H 1 1.43 0.02 A 32 ALA C C 13 178.6 0.2 A 32 ALA CA C 13 55.8 0.2 A 32 ALA CB C 13 19.4 0.2 A 32 ALA N N 15 129.9 0.2 A 33 ASP H H 1 9.51 0.02 A 33 ASP HA H 1 4.18 0.02 A 33 ASP HBx H 1 2.31 0.02 A 33 ASP HBy H 1 2.57 0.02 A 33 ASP C C 13 176.3 0.2 A 33 ASP CA C 13 54.6 0.2 A 33 ASP CB C 13 39.2 0.2 A 33 ASP N N 15 110.7 0.2 A 34 ASP H H 1 7.83 0.02 A 34 ASP HA H 1 4.65 0.02 A 34 ASP HBx H 1 2.78 0.02 A 34 ASP HBy H 1 2.78 0.02 A 34 ASP C C 13 176.3 0.2 A 34 ASP CA C 13 55.1 0.2 A 34 ASP CB C 13 41.0 0.2 A 34 ASP N N 15 114.7 0.2 A 35 ILE H H 1 7.29 0.02 A 35 ILE HA H 1 4.49 0.02 A 35 ILE HB H 1 1.64 0.02 A 35 ILE HD1% H 1 0.64 0.02 A 35 ILE HG1x H 1 0.96 0.02 A 35 ILE HG1y H 1 1.20 0.02 A 35 ILE HG2% H 1 0.72 0.02 A 35 ILE C C 13 174.1 0.2 A 35 ILE CA C 13 60.7 0.2 A 35 ILE CB C 13 40.6 0.2 A 35 ILE CD1 C 13 14.3 0.2 A 35 ILE CG1 C 13 26.9 0.2 A 35 ILE CG2 C 13 17.9 0.2 A 35 ILE N N 15 113.4 0.2 A 36 LEU H H 1 7.73 0.02 A 36 LEU HA H 1 4.80 0.02 A 36 LEU HBx H 1 1.05 0.02 A 36 LEU HBy H 1 1.62 0.02 A 36 LEU HD1% H 1 0.63 0.02 A 36 LEU HD2% H 1 0.80 0.02 A 36 LEU HG H 1 1.51 0.02 A 36 LEU CA C 13 52.2 0.2 A 36 LEU CB C 13 42.7 0.2 A 36 LEU CD1 C 13 26.8 0.02 A 36 LEU CD2 C 13 23.4 0.02 A 36 LEU CG C 13 27.3 0.2 A 36 LEU N N 15 120.4 0.2 A 37 PRO HA H 1 4.44 0.02 A 37 PRO HBx H 1 1.83 0.02 A 37 PRO HBy H 1 2.59 0.02 A 37 PRO HDx H 1 3.57 0.02 A 37 PRO HDy H 1 4.44 0.02 A 37 PRO HGx H 1 2.36 0.02 A 37 PRO HGy H 1 2.50 0.02 A 37 PRO C C 13 177.1 0.2 A 37 PRO CA C 13 63.1 0.2 A 37 PRO CB C 13 32.7 0.2 A 37 PRO CD C 13 51.2 0.2 A 37 PRO CG C 13 28.2 0.2 A 38 ASP H H 1 8.69 0.02 A 38 ASP HA H 1 4.23 0.02 A 38 ASP HBx H 1 2.53 0.02 A 38 ASP HBy H 1 2.75 0.02 A 38 ASP C C 13 177.8 0.2 A 38 ASP CA C 13 57.9 0.2 A 38 ASP CB C 13 42.2 0.2 A 38 ASP N N 15 123.8 0.2 A 39 GLN H H 1 9.08 0.02 A 39 GLN HA H 1 3.99 0.02 A 39 GLN HBx H 1 1.68 0.02 A 39 GLN HBy H 1 1.82 0.02 A 39 GLN HE21 H 1 7.01 0.02 A 39 GLN HE22 H 1 6.86 0.02 A 39 GLN HGx H 1 1.37 0.02 A 39 GLN HGy H 1 1.37 0.02 A 39 GLN C C 13 176.4 0.2 A 39 GLN CA C 13 58.0 0.2 A 39 GLN CB C 13 27.3 0.2 A 39 GLN CD C 13 179.5 0.2 A 39 GLN CG C 13 31.8 0.2 A 39 GLN N N 15 115.1 0.2 A 39 GLN NE2 N 15 111.3 0.2 A 40 TYR H H 1 7.51 0.02 A 40 TYR HA H 1 4.73 0.02 A 40 TYR HBx H 1 2.36 0.02 A 40 TYR HBy H 1 3.04 0.02 A 40 TYR HDx H 1 6.80 0.02 A 40 TYR HDy H 1 6.80 0.02 A 40 TYR HEx H 1 6.70 0.02 A 40 TYR HEy H 1 6.70 0.02 A 40 TYR C C 13 174.2 0.2 A 40 TYR CA C 13 57.0 0.2 A 40 TYR CB C 13 39.4 0.2 A 40 TYR CDx C 13 131.8 0.02 A 40 TYR CDy C 13 131.8 0.02 A 40 TYR CEx C 13 117.5 0.02 A 40 TYR CEy C 13 117.5 0.02 A 40 TYR N N 15 116.8 0.2 A 41 VAL H H 1 7.37 0.02 A 41 VAL HA H 1 4.00 0.02 A 41 VAL HB H 1 1.82 0.02 A 41 VAL HG1% H 1 0.66 0.02 A 41 VAL HG2% H 1 0.67 0.02 A 41 VAL C C 13 175.4 0.2 A 41 VAL CA C 13 62.8 0.2 A 41 VAL CB C 13 34.3 0.2 A 41 VAL CG1 C 13 21.9 0.02 A 41 VAL CG2 C 13 22.7 0.02 A 41 VAL N N 15 116.1 0.2 A 42 ARG H H 1 7.99 0.02 A 42 ARG HA H 1 3.97 0.02 A 42 ARG HBx H 1 1.69 0.02 A 42 ARG HBy H 1 1.85 0.02 A 42 ARG HDx H 1 3.16 0.02 A 42 ARG HDy H 1 3.16 0.02 A 42 ARG HGx H 1 1.57 0.02 A 42 ARG HGy H 1 1.57 0.02 A 42 ARG C C 13 176.6 0.2 A 42 ARG CA C 13 58.5 0.2 A 42 ARG CB C 13 29.7 0.2 A 42 ARG CD C 13 42.8 0.2 A 42 ARG CG C 13 27.0 0.2 A 42 ARG N N 15 120.9 0.2 A 43 LEU H H 1 8.93 0.02 A 43 LEU HA H 1 4.06 0.02 A 43 LEU HBx H 1 1.66 0.02 A 43 LEU HBy H 1 1.88 0.02 A 43 LEU HD1% H 1 0.87 0.02 A 43 LEU HD2% H 1 0.86 0.02 A 43 LEU HG H 1 1.47 0.02 A 43 LEU C C 13 176.2 0.2 A 43 LEU CA C 13 56.1 0.2 A 43 LEU CB C 13 40.1 0.2 A 43 LEU CD1 C 13 25.3 0.02 A 43 LEU CD2 C 13 22.6 0.02 A 43 LEU CG C 13 27.1 0.2 A 43 LEU N N 15 119.5 0.2 A 44 GLY H H 1 7.89 0.02 A 44 GLY HAx H 1 3.93 0.02 A 44 GLY HAy H 1 4.54 0.02 A 44 GLY CA C 13 44.9 0.2 A 44 GLY N N 15 107.0 0.2 A 45 PRO HA H 1 4.36 0.02 A 45 PRO HBx H 1 1.93 0.02 A 45 PRO HBy H 1 2.17 0.02 A 45 PRO HDx H 1 3.55 0.02 A 45 PRO HDy H 1 3.55 0.02 A 45 PRO HGx H 1 1.83 0.02 A 45 PRO HGy H 1 1.92 0.02 A 45 PRO C C 13 176.9 0.2 A 45 PRO CA C 13 64.4 0.2 A 45 PRO CB C 13 31.9 0.2 A 45 PRO CD C 13 49.8 0.2 A 45 PRO CG C 13 27.1 0.2 A 46 LEU H H 1 8.66 0.02 A 46 LEU HA H 1 3.97 0.02 A 46 LEU HBx H 1 1.20 0.02 A 46 LEU HBy H 1 1.82 0.02 A 46 LEU HD1% H 1 0.74 0.02 A 46 LEU HD2% H 1 0.68 0.02 A 46 LEU HG H 1 1.63 0.02 A 46 LEU C C 13 176.3 0.2 A 46 LEU CA C 13 55.9 0.2 A 46 LEU CB C 13 43.5 0.2 A 46 LEU CD1 C 13 24.3 0.02 A 46 LEU CD2 C 13 23.7 0.02 A 46 LEU CG C 13 26.9 0.2 A 46 LEU N N 15 117.0 0.2 A 47 SER H H 1 7.16 0.02 A 47 SER HA H 1 4.08 0.02 A 47 SER HBx H 1 3.72 0.02 A 47 SER HBy H 1 3.97 0.02 A 47 SER C C 13 176.6 0.2 A 47 SER CA C 13 59.1 0.2 A 47 SER CB C 13 62.8 0.2 A 47 SER N N 15 110.3 0.2 A 48 ASN H H 1 11.0 0.02 A 48 ASN HA H 1 4.09 0.02 A 48 ASN HBx H 1 2.99 0.02 A 48 ASN HBy H 1 2.99 0.02 A 48 ASN HD21 H 1 7.44 0.02 A 48 ASN HD22 H 1 6.80 0.02 A 48 ASN C C 13 174.7 0.2 A 48 ASN CA C 13 55.2 0.2 A 48 ASN CB C 13 38.3 0.2 A 48 ASN CG C 13 178.0 0.2 A 48 ASN N N 15 123.2 0.2 A 48 ASN ND2 N 15 112.9 0.2 A 49 LYS H H 1 7.83 0.02 A 49 LYS HA H 1 4.36 0.02 A 49 LYS HBx H 1 1.25 0.02 A 49 LYS HBy H 1 1.80 0.02 A 49 LYS HDx H 1 0.74 0.02 A 49 LYS HDy H 1 1.28 0.02 A 49 LYS HEx H 1 2.83 0.02 A 49 LYS HEy H 1 2.83 0.02 A 49 LYS HGx H 1 1.11 0.02 A 49 LYS HGy H 1 1.18 0.02 A 49 LYS C C 13 175.1 0.2 A 49 LYS CA C 13 56.1 0.2 A 49 LYS CB C 13 33.2 0.2 A 49 LYS CD C 13 27.8 0.2 A 49 LYS CE C 13 42.4 0.2 A 49 LYS CG C 13 26.2 0.2 A 49 LYS N N 15 119.4 0.2 A 50 ILE H H 1 8.57 0.02 A 50 ILE HA H 1 4.16 0.02 A 50 ILE HB H 1 1.95 0.02 A 50 ILE HD1% H 1 0.81 0.02 A 50 ILE HG1x H 1 1.19 0.02 A 50 ILE HG1y H 1 1.60 0.02 A 50 ILE HG2% H 1 0.79 0.02 A 50 ILE C C 13 175.0 0.2 A 50 ILE CA C 13 61.2 0.2 A 50 ILE CB C 13 36.9 0.2 A 50 ILE CD1 C 13 12.0 0.2 A 50 ILE CG1 C 13 27.7 0.2 A 50 ILE CG2 C 13 18.2 0.2 A 50 ILE N N 15 123.0 0.2 A 51 LEU H H 1 9.27 0.02 A 51 LEU HA H 1 5.17 0.02 A 51 LEU HBx H 1 1.38 0.02 A 51 LEU HBy H 1 1.78 0.02 A 51 LEU HDx% H 1 0.79 0.02 A 51 LEU HDy% H 1 0.80 0.02 A 51 LEU HG H 1 1.80 0.02 A 51 LEU C C 13 176.3 0.2 A 51 LEU CA C 13 52.5 0.2 A 51 LEU CB C 13 42.6 0.2 A 51 LEU CDy C 13 26.7 0.02 A 51 LEU CDx C 13 23.0 0.02 A 51 LEU CG C 13 26.8 0.2 A 51 LEU N N 15 127.0 0.2 A 52 GLN H H 1 9.11 0.02 A 52 GLN HA H 1 4.59 0.02 A 52 GLN HBx H 1 2.19 0.02 A 52 GLN HBy H 1 2.26 0.02 A 52 GLN HE2y H 1 7.77 0.02 A 52 GLN HE2x H 1 6.84 0.02 A 52 GLN HGx H 1 2.29 0.02 A 52 GLN HGy H 1 2.35 0.02 A 52 GLN C C 13 175.0 0.2 A 52 GLN CA C 13 56.8 0.2 A 52 GLN CB C 13 29.2 0.2 A 52 GLN CD C 13 180.2 0.2 A 52 GLN CG C 13 34.8 0.2 A 52 GLN N N 15 122.7 0.2 A 52 GLN NE2 N 15 113.5 0.2 A 53 THR H H 1 9.11 0.02 A 53 THR HA H 1 4.73 0.02 A 53 THR HB H 1 4.03 0.02 A 53 THR HG2% H 1 1.07 0.02 A 53 THR C C 13 172.5 0.2 A 53 THR CA C 13 60.5 0.2 A 53 THR CB C 13 69.8 0.2 A 53 THR CG2 C 13 21.4 0.2 A 53 THR N N 15 121.5 0.2 A 54 ASN H H 1 8.21 0.02 A 54 ASN HA H 1 5.40 0.02 A 54 ASN HBx H 1 2.25 0.02 A 54 ASN HBy H 1 3.39 0.02 A 54 ASN HD2x H 1 6.99 0.02 A 54 ASN HD2y H 1 7.48 0.02 A 54 ASN C C 13 172.9 0.2 A 54 ASN CA C 13 52.4 0.2 A 54 ASN CB C 13 40.9 0.2 A 54 ASN CG C 13 178.0 0.2 A 54 ASN N N 15 125.4 0.2 A 54 ASN ND2 N 15 112.9 0.2 A 55 THR H H 1 8.51 0.02 A 55 THR HA H 1 5.12 0.02 A 55 THR HB H 1 3.97 0.02 A 55 THR HG2% H 1 1.21 0.02 A 55 THR C C 13 172.8 0.2 A 55 THR CA C 13 61.4 0.2 A 55 THR CB C 13 69.7 0.2 A 55 THR CG2 C 13 21.2 0.2 A 55 THR N N 15 119.3 0.2 A 56 TYR H H 1 8.46 0.02 A 56 TYR HA H 1 5.26 0.02 A 56 TYR HBx H 1 2.20 0.02 A 56 TYR HBy H 1 2.67 0.02 A 56 TYR HDx H 1 7.13 0.02 A 56 TYR HDy H 1 7.13 0.02 A 56 TYR HEx H 1 6.76 0.02 A 56 TYR HEy H 1 6.76 0.02 A 56 TYR C C 13 173.4 0.2 A 56 TYR CA C 13 57.5 0.2 A 56 TYR CB C 13 41.4 0.2 A 56 TYR CDx C 13 133.2 0.02 A 56 TYR CDy C 13 133.2 0.02 A 56 TYR CEx C 13 117.8 0.02 A 56 TYR CEy C 13 117.8 0.02 A 56 TYR N N 15 125.4 0.2 A 57 TYR H H 1 8.45 0.02 A 57 TYR HA H 1 4.53 0.02 A 57 TYR HBx H 1 2.47 0.02 A 57 TYR HBy H 1 2.91 0.02 A 57 TYR HDx H 1 6.86 0.02 A 57 TYR HDy H 1 6.86 0.02 A 57 TYR HEx H 1 6.58 0.02 A 57 TYR HEy H 1 6.58 0.02 A 57 TYR C C 13 172.4 0.2 A 57 TYR CA C 13 56.6 0.2 A 57 TYR CB C 13 41.7 0.2 A 57 TYR CDx C 13 133.4 0.02 A 57 TYR CDy C 13 133.4 0.02 A 57 TYR CEx C 13 117.8 0.02 A 57 TYR CEy C 13 117.8 0.02 A 57 TYR N N 15 113.9 0.2 A 58 SER H H 1 7.10 0.02 A 58 SER HA H 1 4.75 0.02 A 58 SER HBx H 1 4.01 0.02 A 58 SER HBy H 1 4.10 0.02 A 58 SER C C 13 173.8 0.2 A 58 SER CA C 13 56.6 0.2 A 58 SER CB C 13 65.6 0.2 A 58 SER N N 15 114.2 0.2 A 59 ASP H H 1 9.14 0.02 A 59 ASP HA H 1 4.55 0.02 A 59 ASP HBx H 1 2.74 0.02 A 59 ASP HBy H 1 2.83 0.02 A 59 ASP C C 13 179.0 0.2 A 59 ASP CA C 13 58.5 0.2 A 59 ASP CB C 13 40.4 0.2 A 59 ASP N N 15 121.8 0.2 A 60 THR H H 1 9.06 0.02 A 60 THR HA H 1 4.00 0.02 A 60 THR HB H 1 4.30 0.02 A 60 THR HG2% H 1 1.26 0.02 A 60 THR C C 13 178.0 0.2 A 60 THR CA C 13 67.3 0.2 A 60 THR CB C 13 67.3 0.2 A 60 THR CG2 C 13 23.1 0.2 A 60 THR N N 15 114.8 0.2 A 61 LEU H H 1 7.95 0.02 A 61 LEU HA H 1 3.61 0.02 A 61 LEU HBx H 1 1.33 0.02 A 61 LEU HBy H 1 1.72 0.02 A 61 LEU HD1% H 1 -0.73 0.02 A 61 LEU HD2% H 1 0.16 0.02 A 61 LEU HG H 1 1.13 0.02 A 61 LEU C C 13 178.9 0.2 A 61 LEU CA C 13 58.6 0.2 A 61 LEU CB C 13 39.5 0.2 A 61 LEU CD1 C 13 22.2 0.02 A 61 LEU CD2 C 13 22.2 0.02 A 61 LEU CG C 13 26.7 0.2 A 61 LEU N N 15 126.1 0.2 A 62 HIS H H 1 8.26 0.02 A 62 HIS HA H 1 4.47 0.02 A 62 HIS HBx H 1 3.23 0.02 A 62 HIS HBy H 1 3.40 0.02 A 62 HIS HD2 H 1 7.22 0.02 A 62 HIS C C 13 178.9 0.2 A 62 HIS CA C 13 58.6 0.2 A 62 HIS CB C 13 29.5 0.2 A 62 HIS CD2 C 13 119.7 0.2 A 62 HIS N N 15 116.0 0.2 A 63 LYS H H 1 7.79 0.02 A 63 LYS HA H 1 3.96 0.02 A 63 LYS HBx H 1 1.93 0.02 A 63 LYS HBy H 1 1.93 0.02 A 63 LYS HDx H 1 1.67 0.02 A 63 LYS HDy H 1 1.67 0.02 A 63 LYS HEx H 1 2.97 0.02 A 63 LYS HEy H 1 2.97 0.02 A 63 LYS HGx H 1 1.48 0.02 A 63 LYS HGy H 1 1.63 0.02 A 63 LYS C C 13 177.9 0.2 A 63 LYS CA C 13 59.2 0.2 A 63 LYS CB C 13 32.4 0.2 A 63 LYS CD C 13 29.4 0.2 A 63 LYS CE C 13 41.8 0.2 A 63 LYS CG C 13 25.5 0.2 A 63 LYS N N 15 119.1 0.2 A 64 SER H H 1 7.58 0.02 A 64 SER HA H 1 4.26 0.02 A 64 SER HBx H 1 3.54 0.02 A 64 SER HBy H 1 3.72 0.02 A 64 SER C C 13 172.1 0.2 A 64 SER CA C 13 59.3 0.2 A 64 SER CB C 13 63.6 0.2 A 64 SER N N 15 112.47 0.2 A 65 ASN H H 1 7.76 0.02 A 65 ASN HA H 1 3.87 0.02 A 65 ASN HBx H 1 2.82 0.02 A 65 ASN HBy H 1 3.06 0.02 A 65 ASN HD21 H 1 7.57 0.02 A 65 ASN HD22 H 1 6.75 0.02 A 65 ASN C C 13 171.1 0.2 A 65 ASN CA C 13 54.3 0.2 A 65 ASN CB C 13 37.5 0.2 A 65 ASN CG C 13 178.5 0.2 A 65 ASN N N 15 117.6 0.2 A 65 ASN ND2 N 15 114.1 0.2 A 66 ILE H H 1 6.82 0.02 A 66 ILE HA H 1 4.59 0.02 A 66 ILE HB H 1 1.05 0.02 A 66 ILE HD1% H 1 -0.01 0.02 A 66 ILE HG1x H 1 0.46 0.02 A 66 ILE HG1y H 1 0.46 0.02 A 66 ILE HG2% H 1 0.24 0.02 A 66 ILE C C 13 174.0 0.2 A 66 ILE CA C 13 58.2 0.2 A 66 ILE CB C 13 40.2 0.2 A 66 ILE CD1 C 13 12.1 0.2 A 66 ILE CG1 C 13 25.6 0.2 A 66 ILE CG2 C 13 17.0 0.2 A 66 ILE N N 15 113.9 0.2 A 67 TYR H H 1 8.53 0.02 A 67 TYR HA H 1 5.05 0.02 A 67 TYR HBx H 1 2.80 0.02 A 67 TYR HBy H 1 2.92 0.02 A 67 TYR HDx H 1 7.00 0.02 A 67 TYR HDy H 1 7.00 0.02 A 67 TYR HEx H 1 6.62 0.02 A 67 TYR HEy H 1 6.62 0.02 A 67 TYR CA C 13 54.0 0.2 A 67 TYR CB C 13 39.4 0.2 A 67 TYR CDx C 13 134.1 0.02 A 67 TYR CDy C 13 134.1 0.02 A 67 TYR CEx C 13 117.3 0.02 A 67 TYR CEy C 13 117.3 0.02 A 67 TYR N N 15 120.2 0.2 A 68 PRO HA H 1 5.12 0.02 A 68 PRO HBx H 1 1.95 0.02 A 68 PRO HBy H 1 2.35 0.02 A 68 PRO HDx H 1 3.61 0.02 A 68 PRO HDy H 1 3.70 0.02 A 68 PRO HGx H 1 1.37 0.02 A 68 PRO HGy H 1 1.73 0.02 A 68 PRO C C 13 174.6 0.2 A 68 PRO CA C 13 61.5 0.2 A 68 PRO CB C 13 32.2 0.2 A 68 PRO CD C 13 51.1 0.2 A 68 PRO CG C 13 28.9 0.2 A 69 PHE H H 1 8.87 0.02 A 69 PHE HA H 1 6.33 0.02 A 69 PHE HBx H 1 2.98 0.02 A 69 PHE HBy H 1 3.05 0.02 A 69 PHE HDx H 1 7.09 0.02 A 69 PHE HDy H 1 7.09 0.02 A 69 PHE HEx H 1 6.80 0.02 A 69 PHE HEy H 1 6.80 0.02 A 69 PHE HZ H 1 6.46 0.02 A 69 PHE C C 13 173.0 0.2 A 69 PHE CA C 13 56.3 0.2 A 69 PHE CB C 13 42.9 0.2 A 69 PHE CDx C 13 132.8 0.02 A 69 PHE CDy C 13 132.8 0.02 A 69 PHE CEx C 13 129.4 0.02 A 69 PHE CEy C 13 129.4 0.02 A 69 PHE N N 15 118.4 0.2 A 70 ILE H H 1 9.06 0.02 A 70 ILE HA H 1 4.84 0.02 A 70 ILE HB H 1 1.87 0.02 A 70 ILE HD1% H 1 1.03 0.02 A 70 ILE HG1x H 1 1.04 0.02 A 70 ILE HG1y H 1 1.96 0.02 A 70 ILE HG2% H 1 0.81 0.02 A 70 ILE C C 13 175.7 0.2 A 70 ILE CA C 13 61.9 0.2 A 70 ILE CB C 13 43.0 0.2 A 70 ILE CD1 C 13 13.0 0.2 A 70 ILE CG1 C 13 29.5 0.2 A 70 ILE CG2 C 13 18.5 0.2 A 70 ILE N N 15 117.7 0.2 A 71 LEU H H 1 9.32 0.02 A 71 LEU HA H 1 5.72 0.02 A 71 LEU HBx H 1 1.41 0.02 A 71 LEU HBy H 1 1.86 0.02 A 71 LEU HD1% H 1 0.74 0.02 A 71 LEU HD2% H 1 0.90 0.02 A 71 LEU HG H 1 1.91 0.02 A 71 LEU C C 13 175.6 0.2 A 71 LEU CA C 13 52.4 0.2 A 71 LEU CB C 13 43.7 0.2 A 71 LEU CD1 C 13 25.8 0.02 A 71 LEU CD2 C 13 23.8 0.02 A 71 LEU CG C 13 27.5 0.2 A 71 LEU N N 15 124.8 0.2 A 72 TYR H H 1 9.25 0.02 A 72 TYR HA H 1 5.35 0.02 A 72 TYR HBx H 1 2.83 0.02 A 72 TYR HBy H 1 2.92 0.02 A 72 TYR HDx H 1 6.75 0.02 A 72 TYR HDy H 1 6.75 0.02 A 72 TYR HEx H 1 6.75 0.02 A 72 TYR HEy H 1 6.75 0.02 A 72 TYR C C 13 174.1 0.2 A 72 TYR CA C 13 57.3 0.2 A 72 TYR CB C 13 44.5 0.2 A 72 TYR CDx C 13 132.5 0.02 A 72 TYR CDy C 13 132.5 0.02 A 72 TYR CEx C 13 117.7 0.02 A 72 TYR CEy C 13 117.7 0.02 A 72 TYR N N 15 120.7 0.2 A 73 TYR H H 1 9.25 0.02 A 73 TYR HA H 1 5.11 0.02 A 73 TYR HBx H 1 2.72 0.02 A 73 TYR HBy H 1 2.85 0.02 A 73 TYR HDx H 1 7.36 0.02 A 73 TYR HDy H 1 7.36 0.02 A 73 TYR HEx H 1 6.93 0.02 A 73 TYR HEy H 1 6.93 0.02 A 73 TYR C C 13 174.5 0.2 A 73 TYR CA C 13 56.5 0.2 A 73 TYR CB C 13 40.4 0.2 A 73 TYR CDx C 13 133.6 0.02 A 73 TYR CDy C 13 133.6 0.02 A 73 TYR CEx C 13 117.9 0.02 A 73 TYR CEy C 13 117.9 0.02 A 73 TYR N N 15 120.3 0.2 A 74 GLN H H 1 9.31 0.02 A 74 GLN HA H 1 3.53 0.02 A 74 GLN HBx H 1 1.79 0.02 A 74 GLN HBy H 1 1.79 0.02 A 74 GLN HE2y H 1 7.17 0.02 A 74 GLN HE2x H 1 6.74 0.02 A 74 GLN HGx H 1 1.45 0.02 A 74 GLN HGy H 1 1.67 0.02 A 74 GLN C C 13 175.4 0.2 A 74 GLN CA C 13 57.2 0.2 A 74 GLN CB C 13 25.5 0.2 A 74 GLN CD C 13 180.3 0.2 A 74 GLN CG C 13 32.9 0.2 A 74 GLN N N 15 126.0 0.2 A 74 GLN NE2 N 15 111.5 0.2 A 75 LYS H H 1 8.53 0.02 A 75 LYS HA H 1 3.82 0.02 A 75 LYS HBx H 1 1.92 0.02 A 75 LYS HBy H 1 1.98 0.02 A 75 LYS HDx H 1 1.52 0.02 A 75 LYS HDy H 1 1.55 0.02 A 75 LYS HEx H 1 2.87 0.02 A 75 LYS HEy H 1 2.87 0.02 A 75 LYS HGx H 1 1.21 0.02 A 75 LYS HGy H 1 1.32 0.02 A 75 LYS C C 13 175.5 0.2 A 75 LYS CA C 13 57.3 0.2 A 75 LYS CB C 13 30.9 0.2 A 75 LYS CD C 13 28.5 0.2 A 75 LYS CE C 13 41.8 0.2 A 75 LYS CG C 13 25.1 0.2 A 75 LYS N N 15 113.6 0.2 A 76 GLN H H 1 8.55 0.02 A 76 GLN HA H 1 4.47 0.02 A 76 GLN HBx H 1 2.10 0.02 A 76 GLN HBy H 1 2.38 0.02 A 76 GLN HE2y H 1 7.20 0.02 A 76 GLN HE2x H 1 6.43 0.02 A 76 GLN HGx H 1 2.16 0.02 A 76 GLN HGy H 1 2.21 0.02 A 76 GLN C C 13 175.4 0.2 A 76 GLN CA C 13 54.7 0.2 A 76 GLN CB C 13 29.9 0.2 A 76 GLN CD C 13 179.5 0.2 A 76 GLN CG C 13 33.4 0.2 A 76 GLN N N 15 122.2 0.2 A 76 GLN NE2 N 15 109.9 0.2 A 77 LEU H H 1 8.86 0.02 A 77 LEU HA H 1 3.94 0.02 A 77 LEU HBx H 1 1.40 0.02 A 77 LEU HBy H 1 1.76 0.02 A 77 LEU HD1% H 1 0.55 0.02 A 77 LEU HD2% H 1 0.48 0.02 A 77 LEU HG H 1 1.27 0.02 A 77 LEU C C 13 175.3 0.2 A 77 LEU CA C 13 56.8 0.2 A 77 LEU CB C 13 41.8 0.2 A 77 LEU CD1 C 13 22.9 0.02 A 77 LEU CD2 C 13 26.5 0.02 A 77 LEU CG C 13 26.9 0.2 A 77 LEU N N 15 128.9 0.2 A 78 ILE H H 1 8.88 0.02 A 78 ILE HA H 1 4.81 0.02 A 78 ILE HB H 1 1.82 0.02 A 78 ILE HD1% H 1 0.75 0.02 A 78 ILE HG1x H 1 1.15 0.02 A 78 ILE HG1y H 1 1.76 0.02 A 78 ILE HG2% H 1 1.02 0.02 A 78 ILE C C 13 174.6 0.2 A 78 ILE CA C 13 58.3 0.2 A 78 ILE CB C 13 38.27 0.2 A 78 ILE CD1 C 13 9.8 0.2 A 78 ILE CG1 C 13 27.6 0.2 A 78 ILE CG2 C 13 17.0 0.2 A 78 ILE N N 15 126.9 0.2 A 79 ALA H H 1 7.94 0.02 A 79 ALA HA H 1 5.39 0.02 A 79 ALA HB% H 1 1.75 0.02 A 79 ALA C C 13 175.3 0.2 A 79 ALA CA C 13 51.6 0.2 A 79 ALA CB C 13 24.0 0.2 A 79 ALA N N 15 115.0 0.2 A 80 ILE H H 1 8.58 0.02 A 80 ILE HA H 1 4.84 0.02 A 80 ILE HB H 1 1.55 0.02 A 80 ILE HD1% H 1 0.77 0.02 A 80 ILE HG1x H 1 1.12 0.02 A 80 ILE HG1y H 1 1.77 0.02 A 80 ILE HG2% H 1 1.00 0.02 A 80 ILE C C 13 175.0 0.2 A 80 ILE CA C 13 60.3 0.2 A 80 ILE CB C 13 42.8 0.2 A 80 ILE CD1 C 13 15.2 0.2 A 80 ILE CG1 C 13 27.6 0.2 A 80 ILE CG2 C 13 19.0 0.2 A 80 ILE N N 15 117.9 0.2 A 81 GLY H H 1 8.20 0.02 A 81 GLY HAx H 1 3.75 0.02 A 81 GLY HAy H 1 4.07 0.02 A 81 GLY C C 13 169.1 0.2 A 81 GLY CA C 13 46.6 0.2 A 81 GLY N N 15 116.4 0.2 A 82 PHE H H 1 8.21 0.02 A 82 PHE HA H 1 5.34 0.02 A 82 PHE HBx H 1 2.54 0.02 A 82 PHE HBy H 1 2.93 0.02 A 82 PHE HDx H 1 6.76 0.02 A 82 PHE HDy H 1 6.76 0.02 A 82 PHE C C 13 172.4 0.2 A 82 PHE CA C 13 56.3 0.2 A 82 PHE CB C 13 40.1 0.2 A 82 PHE CDx C 13 132.4 0.02 A 82 PHE CDy C 13 132.4 0.02 A 82 PHE N N 15 114.5 0.2 A 83 ILE H H 1 8.49 0.02 A 83 ILE HA H 1 4.74 0.02 A 83 ILE HB H 1 1.99 0.02 A 83 ILE HD1% H 1 0.75 0.02 A 83 ILE HG1x H 1 0.90 0.02 A 83 ILE HG1y H 1 1.93 0.02 A 83 ILE HG2% H 1 0.98 0.02 A 83 ILE C C 13 175.2 0.2 A 83 ILE CA C 13 60.4 0.2 A 83 ILE CB C 13 39.5 0.2 A 83 ILE CD1 C 13 13.1 0.2 A 83 ILE CG1 C 13 28.8 0.2 A 83 ILE CG2 C 13 17.8 0.2 A 83 ILE N N 15 123.4 0.2 A 84 ASP H H 1 8.55 0.02 A 84 ASP HA H 1 5.17 0.02 A 84 ASP HBx H 1 2.82 0.02 A 84 ASP HBy H 1 3.51 0.02 A 84 ASP C C 13 178.6 0.2 A 84 ASP CA C 13 52.2 0.2 A 84 ASP CB C 13 42.4 0.2 A 84 ASP N N 15 126.9 0.2 A 85 GLU H H 1 9.25 0.02 A 85 GLU HA H 1 4.35 0.02 A 85 GLU HBx H 1 2.10 0.02 A 85 GLU HBy H 1 2.10 0.02 A 85 GLU HGx H 1 2.20 0.02 A 85 GLU HGy H 1 2.28 0.02 A 85 GLU C C 13 176.8 0.2 A 85 GLU CA C 13 58.4 0.2 A 85 GLU CB C 13 28.7 0.2 A 85 GLU CG C 13 34.9 0.2 A 85 GLU N N 15 118.0 0.2 A 86 ASN H H 1 8.28 0.02 A 86 ASN HA H 1 4.76 0.02 A 86 ASN HBx H 1 2.87 0.02 A 86 ASN HBy H 1 2.91 0.02 A 86 ASN HD21 H 1 8.14 0.02 A 86 ASN HD22 H 1 6.97 0.02 A 86 ASN C C 13 174.6 0.2 A 86 ASN CA C 13 52.8 0.2 A 86 ASN CB C 13 38.9 0.2 A 86 ASN CG C 13 177.5 0.2 A 86 ASN N N 15 118.3 0.2 A 86 ASN ND2 N 15 116.2 0.2 A 87 HIS H H 1 8.57 0.02 A 87 HIS HA H 1 3.94 0.02 A 87 HIS HBx H 1 3.48 0.02 A 87 HIS HBy H 1 3.52 0.02 A 87 HIS HD2 H 1 7.21 0.02 A 87 HIS C C 13 173.6 0.2 A 87 HIS CA C 13 57.0 0.2 A 87 HIS CB C 13 26.7 0.2 A 87 HIS CD2 C 13 119.9 0.2 A 87 HIS N N 15 114.0 0.2 A 88 ASP H H 1 8.21 0.02 A 88 ASP HA H 1 4.84 0.02 A 88 ASP HBx H 1 2.53 0.02 A 88 ASP HBy H 1 2.84 0.02 A 88 ASP C C 13 174.8 0.2 A 88 ASP CA C 13 53.9 0.2 A 88 ASP CB C 13 41.5 0.2 A 88 ASP N N 15 120.3 0.2 A 89 MET H H 1 8.55 0.02 A 89 MET HA H 1 4.45 0.02 A 89 MET HBx H 1 1.25 0.02 A 89 MET HBy H 1 1.68 0.02 A 89 MET HE% H 1 1.53 0.02 A 89 MET HGx H 1 1.84 0.02 A 89 MET HGy H 1 2.43 0.02 A 89 MET C C 13 173.4 0.2 A 89 MET CA C 13 55.8 0.2 A 89 MET CB C 13 34.7 0.2 A 89 MET CE C 13 17.4 0.2 A 89 MET CG C 13 33.3 0.2 A 89 MET N N 15 120.4 0.2 A 90 ASP H H 1 8.42 0.02 A 90 ASP HA H 1 4.58 0.02 A 90 ASP HBx H 1 1.60 0.02 A 90 ASP HBy H 1 1.69 0.02 A 90 ASP C C 13 174.6 0.2 A 90 ASP CA C 13 52.3 0.2 A 90 ASP CB C 13 41.8 0.2 A 90 ASP N N 15 126.9 0.2 A 91 PHE H H 1 8.35 0.02 A 91 PHE HA H 1 4.78 0.02 A 91 PHE HBx H 1 2.70 0.02 A 91 PHE HBy H 1 2.70 0.02 A 91 PHE HDx H 1 7.33 0.02 A 91 PHE HDy H 1 7.33 0.02 A 91 PHE HEx H 1 7.18 0.02 A 91 PHE HEy H 1 7.18 0.02 A 91 PHE HZ H 1 7.08 0.02 A 91 PHE C C 13 175.6 0.2 A 91 PHE CA C 13 58.2 0.2 A 91 PHE CB C 13 41.4 0.2 A 91 PHE CDx C 13 131.9 0.02 A 91 PHE CDy C 13 131.9 0.02 A 91 PHE CEx C 13 130.9 0.02 A 91 PHE CEy C 13 130.9 0.02 A 91 PHE CZ C 13 117.5 0.2 A 91 PHE N N 15 118.6 0.2 A 92 LEU H H 1 9.06 0.02 A 92 LEU HA H 1 4.33 0.02 A 92 LEU HBx H 1 1.17 0.02 A 92 LEU HBy H 1 1.17 0.02 A 92 LEU HD1% H 1 0.53 0.02 A 92 LEU HD2% H 1 0.52 0.02 A 92 LEU HG H 1 1.48 0.02 A 92 LEU C C 13 175.7 0.2 A 92 LEU CA C 13 55.2 0.2 A 92 LEU CB C 13 43.5 0.2 A 92 LEU CD1 C 13 25.0 0.02 A 92 LEU CD2 C 13 24.3 0.02 A 92 LEU CG C 13 28.1 0.2 A 92 LEU N N 15 121.1 0.2 A 93 TYR H H 1 7.97 0.02 A 93 TYR HA H 1 4.78 0.02 A 93 TYR HBx H 1 2.30 0.02 A 93 TYR HBy H 1 3.08 0.02 A 93 TYR HDx H 1 6.80 0.02 A 93 TYR HDy H 1 6.80 0.02 A 93 TYR HEx H 1 6.70 0.02 A 93 TYR HEy H 1 6.70 0.02 A 93 TYR C C 13 172.8 0.2 A 93 TYR CA C 13 57.6 0.2 A 93 TYR CB C 13 42.5 0.2 A 93 TYR CDx C 13 131.6 0.02 A 93 TYR CDy C 13 131.6 0.02 A 93 TYR CEx C 13 117.5 0.02 A 93 TYR CEy C 13 117.5 0.02 A 93 TYR N N 15 118.6 0.2 A 94 LEU H H 1 8.22 0.02 A 94 LEU HA H 1 5.06 0.02 A 94 LEU HBx H 1 0.75 0.02 A 94 LEU HBy H 1 0.97 0.02 A 94 LEU HD1% H 1 0.31 0.02 A 94 LEU HD2% H 1 -0.57 0.02 A 94 LEU HG H 1 0.76 0.02 A 94 LEU C C 13 171.9 0.2 A 94 LEU CA C 13 55.1 0.2 A 94 LEU CB C 13 44.8 0.2 A 94 LEU CD1 C 13 21.9 0.02 A 94 LEU CD2 C 13 24.8 0.02 A 94 LEU CG C 13 27.3 0.2 A 94 LEU N N 15 128.6 0.2 A 95 HIS H H 1 9.72 0.02 A 95 HIS HA H 1 4.57 0.02 A 95 HIS HBx H 1 2.65 0.02 A 95 HIS HBy H 1 3.18 0.02 A 95 HIS HD2 H 1 7.02 0.02 A 95 HIS HE1 H 1 6.91 0.02 A 95 HIS C C 13 173.1 0.2 A 95 HIS CA C 13 55.5 0.2 A 95 HIS CB C 13 35.9 0.2 A 95 HIS CD2 C 13 117.5 0.2 A 95 HIS CE1 C 13 137.4 0.2 A 95 HIS N N 15 133.0 0.2 A 96 ASN H H 1 7.67 0.02 A 96 ASN HA H 1 4.93 0.02 A 96 ASN HBx H 1 2.40 0.02 A 96 ASN HBy H 1 3.38 0.02 A 96 ASN HD2y H 1 7.83 0.02 A 96 ASN HD2x H 1 7.24 0.02 A 96 ASN C C 13 176.1 0.2 A 96 ASN CA C 13 51.0 0.2 A 96 ASN CB C 13 38.5 0.2 A 96 ASN N N 15 118.6 0.2 A 96 ASN ND2 N 15 109.6 0.2 A 97 THR H H 1 10.58 0.02 A 97 THR HA H 1 4.09 0.02 A 97 THR HB H 1 4.42 0.02 A 97 THR HG2% H 1 0.90 0.02 A 97 THR C C 13 174.6 0.2 A 97 THR CA C 13 67.0 0.2 A 97 THR CB C 13 68.3 0.2 A 97 THR CG2 C 13 22.8 0.2 A 97 THR N N 15 116.3 0.2 A 98 VAL H H 1 8.44 0.02 A 98 VAL HA H 1 4.18 0.02 A 98 VAL HB H 1 2.10 0.02 A 98 VAL HG1% H 1 0.91 0.02 A 98 VAL HG2% H 1 0.84 0.02 A 98 VAL C C 13 174.8 0.2 A 98 VAL CA C 13 64.4 0.2 A 98 VAL CB C 13 33.1 0.2 A 98 VAL CG1 C 13 21.0 0.02 A 98 VAL CG2 C 13 21.8 0.02 A 98 VAL N N 15 123.9 0.2 A 99 MET H H 1 8.59 0.02 A 99 MET HA H 1 4.72 0.02 A 99 MET HBx H 1 1.85 0.02 A 99 MET HBy H 1 1.85 0.02 A 99 MET HE% H 1 2.01 0.02 A 99 MET HGx H 1 2.12 0.02 A 99 MET HGy H 1 2.30 0.02 A 99 MET CA C 13 52.4 0.2 A 99 MET CB C 13 34.1 0.2 A 99 MET CE C 13 16.9 0.2 A 99 MET CG C 13 30.0 0.2 A 99 MET N N 15 118.7 0.2 A 100 PRO HA H 1 4.21 0.02 A 100 PRO HBx H 1 1.86 0.02 A 100 PRO HBy H 1 2.19 0.02 A 100 PRO HDx H 1 3.61 0.02 A 100 PRO HDy H 1 3.70 0.02 A 100 PRO HGx H 1 2.19 0.02 A 100 PRO HGy H 1 2.25 0.02 A 100 PRO C C 13 175.9 0.2 A 100 PRO CA C 13 62.1 0.2 A 100 PRO CB C 13 31.0 0.2 A 100 PRO CD C 13 50.1 0.2 A 100 PRO CG C 13 27.4 0.2 A 101 LEU H H 1 9.01 0.02 A 101 LEU HA H 1 4.31 0.02 A 101 LEU HBx H 1 1.07 0.02 A 101 LEU HBy H 1 1.24 0.02 A 101 LEU HD1% H 1 0.78 0.02 A 101 LEU HD2% H 1 0.72 0.02 A 101 LEU HG H 1 1.37 0.02 A 101 LEU C C 13 176.9 0.2 A 101 LEU CA C 13 55.0 0.2 A 101 LEU CB C 13 42.8 0.2 A 101 LEU CD1 C 13 25.0 0.02 A 101 LEU CD2 C 13 22.5 0.02 A 101 LEU CG C 13 27.0 0.2 A 101 LEU N N 15 124.0 0.2 A 102 LEU H H 1 7.62 0.02 A 102 LEU HA H 1 4.36 0.02 A 102 LEU HBx H 1 1.28 0.02 A 102 LEU HBy H 1 1.35 0.02 A 102 LEU HD1% H 1 0.69 0.02 A 102 LEU HD2% H 1 0.76 0.02 A 102 LEU HG H 1 1.30 0.02 A 102 LEU C C 13 174.8 0.2 A 102 LEU CA C 13 54.9 0.2 A 102 LEU CB C 13 45.3 0.2 A 102 LEU CD1 C 13 25.6 0.02 A 102 LEU CD2 C 13 24.6 0.02 A 102 LEU CG C 13 26.7 0.2 A 102 LEU N N 15 119.0 0.2 A 103 ASP H H 1 9.12 0.02 A 103 ASP HA H 1 5.10 0.02 A 103 ASP HBx H 1 2.70 0.02 A 103 ASP HBy H 1 3.10 0.02 A 103 ASP C C 13 174.5 0.2 A 103 ASP CA C 13 54.9 0.2 A 103 ASP CB C 13 41.0 0.2 A 103 ASP N N 15 120.7 0.2 A 104 GLN H H 1 8.99 0.02 A 104 GLN HA H 1 4.71 0.02 A 104 GLN HBx H 1 1.79 0.02 A 104 GLN HBy H 1 2.18 0.02 A 104 GLN HE21 H 1 7.24 0.02 A 104 GLN HE22 H 1 7.01 0.02 A 104 GLN HGx H 1 2.29 0.02 A 104 GLN HGy H 1 2.29 0.02 A 104 GLN C C 13 176.1 0.2 A 104 GLN CA C 13 54.1 0.2 A 104 GLN CB C 13 28.5 0.2 A 104 GLN CD C 13 180.0 0.2 A 104 GLN CG C 13 34.1 0.2 A 104 GLN N N 15 125.4 0.2 A 104 GLN NE2 N 15 110.3 0.2 A 105 ARG H H 1 8.38 0.02 A 105 ARG HA H 1 3.51 0.02 A 105 ARG HBx H 1 1.81 0.02 A 105 ARG HBy H 1 2.03 0.02 A 105 ARG HDx H 1 2.18 0.02 A 105 ARG HDy H 1 2.86 0.02 A 105 ARG HGx H 1 1.96 0.02 A 105 ARG HGy H 1 1.96 0.02 A 105 ARG C C 13 177.5 0.2 A 105 ARG CA C 13 60.2 0.2 A 105 ARG CB C 13 29.4 0.2 A 105 ARG CD C 13 42.6 0.2 A 105 ARG CG C 13 28.2 0.2 A 105 ARG N N 15 117.7 0.2 A 106 TYR H H 1 7.80 0.02 A 106 TYR HA H 1 4.36 0.02 A 106 TYR HBx H 1 2.91 0.02 A 106 TYR HBy H 1 3.10 0.02 A 106 TYR HDx H 1 7.03 0.02 A 106 TYR HDy H 1 7.03 0.02 A 106 TYR HEx H 1 6.92 0.02 A 106 TYR HEy H 1 6.92 0.02 A 106 TYR C C 13 176.8 0.2 A 106 TYR CA C 13 58.6 0.2 A 106 TYR CB C 13 36.0 0.2 A 106 TYR CDx C 13 133.1 0.02 A 106 TYR CDy C 13 133.1 0.02 A 106 TYR CEx C 13 118.5 0.02 A 106 TYR CEy C 13 118.5 0.02 A 106 TYR N N 15 118.1 0.2 A 107 LEU H H 1 7.17 0.02 A 107 LEU HA H 1 3.97 0.02 A 107 LEU HBx H 1 1.26 0.02 A 107 LEU HBy H 1 1.35 0.02 A 107 LEU HD1% H 1 0.82 0.02 A 107 LEU HD2% H 1 0.89 0.02 A 107 LEU HG H 1 0.96 0.02 A 107 LEU C C 13 178.3 0.2 A 107 LEU CA C 13 56.6 0.2 A 107 LEU CB C 13 41.8 0.2 A 107 LEU CD1 C 13 25.2 0.02 A 107 LEU CD2 C 13 22.5 0.02 A 107 LEU CG C 13 26.5 0.2 A 107 LEU N N 15 121.9 0.2 A 108 LEU H H 1 7.68 0.02 A 108 LEU HA H 1 4.07 0.02 A 108 LEU HBx H 1 1.44 0.02 A 108 LEU HBy H 1 1.95 0.02 A 108 LEU HD1% H 1 0.70 0.02 A 108 LEU HD2% H 1 0.48 0.02 A 108 LEU HG H 1 1.31 0.02 A 108 LEU C C 13 177.5 0.2 A 108 LEU CA C 13 55.4 0.2 A 108 LEU CB C 13 41.5 0.2 A 108 LEU CD1 C 13 25.2 0.02 A 108 LEU CD2 C 13 22.8 0.02 A 108 LEU CG C 13 26.91 0.2 A 108 LEU N N 15 115.4 0.2 A 109 THR H H 1 7.51 0.02 A 109 THR HA H 1 4.31 0.02 A 109 THR HB H 1 4.33 0.02 A 109 THR HG2% H 1 1.09 0.02 A 109 THR C C 13 175.3 0.2 A 109 THR CA C 13 61.6 0.2 A 109 THR CB C 13 69.5 0.2 A 109 THR CG2 C 13 21.4 0.2 A 109 THR N N 15 108.8 0.2 A 110 GLY H H 1 8.01 0.02 A 110 GLY HAx H 1 3.95 0.02 A 110 GLY HAy H 1 4.03 0.02 A 110 GLY C C 13 174.5 0.2 A 110 GLY CA C 13 45.4 0.2 A 110 GLY N N 15 110.1 0.2 A 111 GLY H H 1 8.31 0.02 A 111 GLY HAx H 1 3.93 0.02 A 111 GLY HAy H 1 3.93 0.02 A 111 GLY C C 13 173.7 0.2 A 111 GLY CA C 13 45.4 0.2 A 111 GLY N N 15 108.3 0.2 A 112 GLN H H 1 8.28 0.02 A 112 GLN HA H 1 4.27 0.02 A 112 GLN HBx H 1 1.91 0.02 A 112 GLN HBy H 1 2.04 0.02 A 112 GLN HE21 H 1 6.80 0.02 A 112 GLN HE22 H 1 7.50 0.02 A 112 GLN HGx H 1 2.28 0.02 A 112 GLN HGy H 1 2.28 0.02 A 112 GLN C C 13 175.7 0.2 A 112 GLN CA C 13 55.6 0.2 A 112 GLN CB C 13 29.2 0.2 A 112 GLN CD C 13 180.1 0.2 A 112 GLN CG C 13 33.5 0.2 A 112 GLN N N 15 119.2 0.2 A 112 GLN NE2 N 15 112.4 0.2 A 113 LEU H H 1 8.26 0.02 A 113 LEU HA H 1 4.18 0.02 A 113 LEU HBx H 1 1.43 0.02 A 113 LEU HBy H 1 1.51 0.02 A 113 LEU HD1% H 1 0.82 0.02 A 113 LEU HD2% H 1 0.76 0.02 A 113 LEU HG H 1 1.50 0.02 A 113 LEU C C 13 177.0 0.2 A 113 LEU CA C 13 55.1 0.2 A 113 LEU CB C 13 42.1 0.2 A 113 LEU CD1 C 13 24.8 0.02 A 113 LEU CD2 C 13 23.3 0.02 A 113 LEU CG C 13 26.8 0.2 A 113 LEU N N 15 122.8 0.2 A 114 GLU H H 1 8.29 0.02 A 114 GLU HA H 1 4.14 0.02 A 114 GLU HBx H 1 1.79 0.02 A 114 GLU HBy H 1 1.85 0.02 A 114 GLU HGx H 1 2.08 0.02 A 114 GLU HGy H 1 2.14 0.02 A 114 GLU CA C 13 56.3 0.2 A 114 GLU CB C 13 30.2 0.2 A 114 GLU CG C 13 36.0 0.2 A 114 GLU N N 15 121.0 0.2 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 2 THR HA A 2 THR HG2% 1.0 1.8 3.52 2 2 A 2 THR HB A 3 LEU H 1.0 1.8 4.21 3 3 A 2 THR HG2% A 3 LEU H 1.0 1.8 4.52 4 4 A 3 LEU HA A 3 LEU HDx% 1.0 1.8 4.15 5 5 A 3 LEU HA A 3 LEU HDy% 1.0 1.8 4.15 6 6 A 3 LEU HA A 6 GLN HGx 1.0 1.8 4.05 7 6 A 3 LEU HA A 6 GLN HGy 1.0 1.8 4.05 8 7 A 3 LEU HA A 7 LEU H 1.0 1.8 4.59 9 8 A 70 ILE HD1% A 3 LEU HBy 1.0 1.8 5.00 10 8 A 3 LEU HBx A 70 ILE HD1% 1.0 1.8 5.00 11 9 A 80 ILE HD1% A 3 LEU HBy 1.0 1.8 5.00 12 9 A 3 LEU HBx A 80 ILE HD1% 1.0 1.8 5.00 13 10 A 3 LEU HDx% A 3 LEU HBy 1.0 1.8 3.92 14 11 A 3 LEU HBy A 3 LEU HDy% 1.0 1.8 3.92 15 12 A 4 GLU H A 3 LEU HBy 1.0 1.8 4.68 16 13 A 3 LEU HBx A 3 LEU HDx% 1.0 1.8 3.92 17 14 A 3 LEU HBx A 3 LEU HDy% 1.0 1.8 3.92 18 15 A 3 LEU HBx A 4 GLU H 1.0 1.8 4.68 19 16 A 4 GLU H A 3 LEU HDy% 1.0 1.8 5.30 20 16 A 4 GLU H A 3 LEU HDx% 1.0 1.8 5.30 21 17 A 70 ILE HG2% A 3 LEU HDy% 1.0 1.8 5.00 22 17 A 3 LEU HDx% A 70 ILE HG2% 1.0 1.8 5.00 23 18 A 3 LEU HDy% A 77 LEU HBy 1.0 1.8 5.00 24 18 A 3 LEU HDx% A 77 LEU HBy 1.0 1.8 5.00 25 18 A 77 LEU HBx A 3 LEU HDy% 1.0 1.8 5.00 26 18 A 3 LEU HDx% A 77 LEU HBx 1.0 1.8 5.00 27 19 A 77 LEU HD1% A 3 LEU HDy% 1.0 1.8 5.00 28 19 A 3 LEU HDx% A 77 LEU HD1% 1.0 1.8 5.00 29 20 A 77 LEU HD2% A 3 LEU HDy% 1.0 1.8 5.00 30 20 A 3 LEU HDx% A 77 LEU HD2% 1.0 1.8 5.00 31 21 A 80 ILE HG2% A 3 LEU HDy% 1.0 1.8 5.50 32 21 A 3 LEU HDx% A 80 ILE HG2% 1.0 1.8 5.50 33 22 A 80 ILE HD1% A 3 LEU HDx% 1.0 1.8 4.00 34 23 A 80 ILE HD1% A 3 LEU HDy% 1.0 1.8 4.00 35 24 A 3 LEU H A 3 LEU HBy 1.0 1.8 4.15 36 25 A 3 LEU H A 3 LEU HBx 1.0 1.8 4.15 37 26 A 4 GLU HA A 4 GLU HGx 1.0 1.8 3.88 38 26 A 4 GLU HA A 4 GLU HGy 1.0 1.8 3.88 39 27 A 4 GLU HA A 7 LEU HBy 1.0 1.8 5.39 40 27 A 4 GLU HA A 7 LEU HBx 1.0 1.8 5.39 41 28 A 7 LEU H A 4 GLU HA 1.0 1.8 4.59 42 29 A 70 ILE HD1% A 4 GLU HA 1.0 1.8 4.00 43 30 A 70 ILE HD1% A 4 GLU HGx 1.0 1.8 5.00 44 30 A 70 ILE HD1% A 4 GLU HGy 1.0 1.8 5.00 45 31 A 4 GLU H A 4 GLU HBy 1.0 1.8 3.98 46 32 A 4 GLU H A 4 GLU HBx 1.0 1.8 3.98 47 33 A 4 GLU H A 4 GLU HGx 1.0 1.8 4.32 48 33 A 4 GLU H A 4 GLU HGy 1.0 1.8 4.32 49 34 A 4 GLU H A 5 LEU H 1.0 1.8 4.04 50 35 A 5 LEU HA A 5 LEU HD2% 1.0 1.8 3.22 51 35 A 5 LEU HA A 5 LEU HD1% 1.0 1.8 3.22 52 36 A 5 LEU HA A 5 LEU HD1% 1.0 1.8 4.04 53 37 A 5 LEU HA A 5 LEU HD2% 1.0 1.8 4.04 54 38 A 5 LEU HA A 5 LEU HG 1.0 1.8 4.16 55 39 A 5 LEU HA A 8 LYS HBx 1.0 1.8 4.06 56 39 A 5 LEU HA A 8 LYS HBy 1.0 1.8 4.06 57 40 A 5 LEU HA A 8 LYS H 1.0 1.8 4.07 58 41 A 6 GLN H A 5 LEU HBy 1.0 1.8 3.72 59 41 A 5 LEU HBx A 6 GLN H 1.0 1.8 3.72 60 42 A 5 LEU HD1% A 5 LEU HBy 1.0 1.8 3.94 61 43 A 5 LEU HBy A 5 LEU HD2% 1.0 1.8 3.94 62 44 A 5 LEU HD1% A 5 LEU HBx 1.0 1.8 3.94 63 45 A 5 LEU HBx A 5 LEU HD2% 1.0 1.8 3.94 64 46 A 5 LEU H A 5 LEU HBy 1.0 1.8 3.55 65 46 A 5 LEU H A 5 LEU HBx 1.0 1.8 3.55 66 47 A 5 LEU H A 5 LEU HD2% 1.0 1.8 4.15 67 47 A 5 LEU H A 5 LEU HD1% 1.0 1.8 4.15 68 48 A 5 LEU H A 5 LEU HG 1.0 1.8 4.75 69 49 A 5 LEU H A 6 GLN H 1.0 1.8 3.87 70 50 A 6 GLN HA A 9 HIS H 1.0 1.8 4.51 71 51 A 7 LEU H A 6 GLN HBx 1.0 1.8 4.29 72 51 A 7 LEU H A 6 GLN HBy 1.0 1.8 4.29 73 52 A 7 LEU H A 6 GLN HGx 1.0 1.8 4.35 74 52 A 6 GLN HGy A 7 LEU H 1.0 1.8 4.35 75 53 A 6 GLN H A 6 GLN HGx 1.0 1.8 4.04 76 53 A 6 GLN HGy A 6 GLN H 1.0 1.8 4.04 77 54 A 7 LEU H A 6 GLN H 1.0 1.8 4.08 78 55 A 7 LEU HA A 7 LEU HD1% 1.0 1.8 3.22 79 56 A 7 LEU HA A 7 LEU HD2% 1.0 1.8 4.52 80 57 A 7 LEU HA A 10 TYR H 1.0 1.8 4.51 81 58 A 7 LEU HD2% A 7 LEU HBy 1.0 1.8 3.59 82 58 A 7 LEU HBx A 7 LEU HD2% 1.0 1.8 3.59 83 59 A 70 ILE HD1% A 7 LEU HBy 1.0 1.8 4.71 84 59 A 70 ILE HD1% A 7 LEU HBx 1.0 1.8 4.71 85 60 A 80 ILE HD1% A 7 LEU HBy 1.0 1.8 4.79 86 60 A 80 ILE HD1% A 7 LEU HBx 1.0 1.8 4.79 87 61 A 7 LEU HBx A 80 ILE HG1x 1.0 1.8 5.25 88 61 A 7 LEU HBy A 80 ILE HG1x 1.0 1.8 5.25 89 61 A 80 ILE HG1y A 7 LEU HBy 1.0 1.8 5.25 90 61 A 7 LEU HBx A 80 ILE HG1y 1.0 1.8 5.25 91 62 A 80 ILE HG2% A 7 LEU HBy 1.0 1.8 4.31 92 62 A 80 ILE HG2% A 7 LEU HBx 1.0 1.8 4.31 93 63 A 7 LEU HD1% A 7 LEU HBy 1.0 1.8 3.63 94 64 A 7 LEU HBx A 7 LEU HD1% 1.0 1.8 3.63 95 65 A 8 LYS H A 7 LEU HD1% 1.0 1.8 5.18 96 66 A 7 LEU HD1% A 10 TYR HBy 1.0 1.8 4.21 97 66 A 7 LEU HD1% A 10 TYR HBx 1.0 1.8 4.21 98 67 A 7 LEU HD1% A 10 TYR HD% 1.0 1.8 4.35 99 68 A 7 LEU HD1% A 11 ILE HD1% 1.0 1.8 3.82 100 69 A 7 LEU HD1% A 11 ILE HG1x 1.0 1.8 5.00 101 69 A 7 LEU HD1% A 11 ILE HG1y 1.0 1.8 5.00 102 70 A 7 LEU HD1% A 68 PRO HBx 1.0 1.8 5.18 103 70 A 7 LEU HD1% A 68 PRO HBy 1.0 1.8 5.18 104 71 A 80 ILE HD1% A 7 LEU HD1% 1.0 1.8 4.39 105 72 A 7 LEU HD1% A 92 LEU HD2% 1.0 1.8 4.30 106 72 A 7 LEU HD1% A 92 LEU HD1% 1.0 1.8 4.30 107 73 A 8 LYS H A 7 LEU HD2% 1.0 1.8 5.50 108 74 A 7 LEU HD2% A 68 PRO HBx 1.0 1.8 4.07 109 74 A 7 LEU HD2% A 68 PRO HBy 1.0 1.8 4.07 110 75 A 7 LEU HD2% A 70 ILE HG1y 1.0 1.8 3.85 111 75 A 7 LEU HD2% A 70 ILE HG1x 1.0 1.8 3.85 112 76 A 70 ILE HD1% A 7 LEU HG 1.0 1.8 5.18 113 77 A 7 LEU H A 7 LEU HBy 1.0 1.8 4.10 114 78 A 7 LEU H A 7 LEU HBx 1.0 1.8 4.10 115 79 A 7 LEU H A 7 LEU HD1% 1.0 1.8 4.38 116 80 A 7 LEU H A 7 LEU HD2% 1.0 1.8 5.22 117 81 A 7 LEU H A 8 LYS H 1.0 1.8 4.30 118 82 A 8 LYS HA A 8 LYS HDx 1.0 1.8 5.01 119 82 A 8 LYS HA A 8 LYS HDy 1.0 1.8 5.01 120 83 A 8 LYS HA A 11 ILE HB 1.0 1.8 4.44 121 84 A 8 LYS HA A 11 ILE H 1.0 1.8 4.51 122 85 A 8 LYS HA A 23 TRP HH2 1.0 1.8 5.00 123 86 A 8 LYS HA A 23 TRP HZ3 1.0 1.8 5.00 124 87 A 9 HIS H A 8 LYS HBx 1.0 1.8 4.21 125 87 A 8 LYS HBy A 9 HIS H 1.0 1.8 4.21 126 88 A 8 LYS H A 8 LYS HBx 1.0 1.8 3.37 127 88 A 8 LYS HBy A 8 LYS H 1.0 1.8 3.37 128 89 A 8 LYS H A 8 LYS HDx 1.0 1.8 5.34 129 89 A 8 LYS H A 8 LYS HDy 1.0 1.8 5.34 130 90 A 8 LYS H A 8 LYS HGy 1.0 1.8 4.43 131 90 A 8 LYS H A 8 LYS HGx 1.0 1.8 4.43 132 91 A 10 TYR H A 9 HIS HBx 1.0 1.8 3.91 133 91 A 10 TYR H A 9 HIS HBy 1.0 1.8 3.91 134 92 A 9 HIS H A 9 HIS HBx 1.0 1.8 3.79 135 92 A 9 HIS H A 9 HIS HBy 1.0 1.8 3.79 136 93 A 9 HIS H A 10 TYR H 1.0 1.8 4.21 137 94 A 10 TYR HD% A 10 TYR HA 1.0 1.8 3.66 138 95 A 10 TYR HA A 13 ASN HBy 1.0 1.8 4.10 139 95 A 10 TYR HA A 13 ASN HBx 1.0 1.8 4.10 140 96 A 10 TYR HA A 14 LEU H 1.0 1.8 4.60 141 97 A 11 ILE H A 10 TYR HBy 1.0 1.8 3.81 142 97 A 10 TYR HBx A 11 ILE H 1.0 1.8 3.81 143 98 A 10 TYR HBy A 92 LEU HD2% 1.0 1.8 5.08 144 98 A 92 LEU HD1% A 10 TYR HBy 1.0 1.8 5.08 145 98 A 10 TYR HBx A 92 LEU HD1% 1.0 1.8 5.08 146 98 A 10 TYR HBx A 92 LEU HD2% 1.0 1.8 5.08 147 99 A 108 LEU HD2% A 10 TYR HBy 1.0 1.8 3.73 148 99 A 10 TYR HBx A 108 LEU HD2% 1.0 1.8 3.73 149 100 A 10 TYR HD% A 11 ILE HA 1.0 1.8 6.05 150 101 A 10 TYR HD% A 11 ILE HD1% 1.0 1.8 4.80 151 102 A 10 TYR HD% A 11 ILE H 1.0 1.8 4.30 152 103 A 10 TYR HD% A 92 LEU HD1% 1.0 1.8 5.00 153 104 A 10 TYR HD% A 92 LEU HD2% 1.0 1.8 5.00 154 105 A 10 TYR HD% A 108 LEU HD2% 1.0 1.8 5.00 155 106 A 11 ILE HA A 10 TYR HE% 1.0 1.8 6.00 156 107 A 11 ILE HD1% A 10 TYR HE% 1.0 1.8 5.80 157 108 A 10 TYR HE% A 14 LEU HD1% 1.0 1.8 5.00 158 109 A 10 TYR HE% A 14 LEU HD2% 1.0 1.8 5.00 159 110 A 92 LEU HD1% A 10 TYR HE% 1.0 1.8 5.00 160 111 A 10 TYR HE% A 107 LEU HA 1.0 1.8 5.00 161 112 A 10 TYR H A 10 TYR HBy 1.0 1.8 3.90 162 113 A 10 TYR H A 10 TYR HBx 1.0 1.8 3.90 163 114 A 10 TYR H A 11 ILE H 1.0 1.8 4.28 164 115 A 11 ILE HD1% A 11 ILE HA 1.0 1.8 4.00 165 116 A 11 ILE HA A 11 ILE HG2% 1.0 1.8 3.55 166 117 A 11 ILE HA A 14 LEU HBy 1.0 1.8 3.66 167 117 A 11 ILE HA A 14 LEU HBx 1.0 1.8 3.66 168 118 A 11 ILE HA A 14 LEU HD2% 1.0 1.8 4.35 169 119 A 14 LEU H A 11 ILE HA 1.0 1.8 4.15 170 120 A 11 ILE HD1% A 66 ILE HG2% 1.0 1.8 4.80 171 121 A 11 ILE HD1% A 82 PHE HBx 1.0 1.8 4.81 172 121 A 11 ILE HD1% A 82 PHE HBy 1.0 1.8 4.81 173 122 A 11 ILE HD1% A 82 PHE HD% 1.0 1.8 3.98 174 123 A 66 ILE HG2% A 11 ILE HG1x 1.0 1.8 4.84 175 123 A 11 ILE HG1y A 66 ILE HG2% 1.0 1.8 4.84 176 124 A 11 ILE HD1% A 11 ILE HG2% 1.0 1.8 3.29 177 125 A 11 ILE HG2% A 11 ILE HG1x 1.0 1.8 3.26 178 125 A 11 ILE HG1y A 11 ILE HG2% 1.0 1.8 3.26 179 126 A 11 ILE HG2% A 15 PHE HD% 1.0 1.8 5.00 180 127 A 11 ILE HG2% A 17 LEU HD1% 1.0 1.8 4.30 181 128 A 23 TRP HH2 A 11 ILE HG2% 1.0 1.8 5.00 182 129 A 11 ILE HG2% A 23 TRP HZ2 1.0 1.8 5.00 183 130 A 11 ILE HG2% A 61 LEU HD2% 1.0 1.8 4.20 184 131 A 11 ILE HG2% A 66 ILE HG2% 1.0 1.8 4.41 185 132 A 11 ILE HB A 11 ILE H 1.0 1.8 3.78 186 133 A 11 ILE HD1% A 11 ILE H 1.0 1.8 4.20 187 134 A 11 ILE H A 11 ILE HG1x 1.0 1.8 4.20 188 134 A 11 ILE HG1y A 11 ILE H 1.0 1.8 4.20 189 135 A 11 ILE H A 11 ILE HG2% 1.0 1.8 4.11 190 136 A 12 THR HA A 12 THR HG2% 1.0 1.8 3.45 191 137 A 17 LEU HD1% A 12 THR HA 1.0 1.8 4.20 192 138 A 12 THR HA A 17 LEU HG 1.0 1.8 4.77 193 139 A 12 THR HA A 17 LEU H 1.0 1.8 3.98 194 140 A 12 THR HB A 13 ASN H 1.0 1.8 3.80 195 141 A 12 THR HB A 19 ARG HA 1.0 1.8 4.80 196 142 A 12 THR HG2% A 13 ASN H 1.0 1.8 4.43 197 143 A 17 LEU HD1% A 12 THR HG2% 1.0 1.8 4.00 198 144 A 12 THR HG2% A 17 LEU H 1.0 1.8 4.20 199 145 A 12 THR HG2% A 19 ARG HA 1.0 1.8 3.73 200 146 A 12 THR HG2% A 19 ARG HDx 1.0 1.8 4.15 201 146 A 12 THR HG2% A 19 ARG HDy 1.0 1.8 4.15 202 147 A 12 THR HG2% A 19 ARG HGx 1.0 1.8 4.08 203 147 A 12 THR HG2% A 19 ARG HGy 1.0 1.8 4.08 204 148 A 23 TRP HZ2 A 12 THR HG2% 1.0 1.8 3.71 205 149 A 13 ASN HBx A 13 ASN HD21 1.0 1.8 3.13 206 149 A 13 ASN HBy A 13 ASN HD21 1.0 1.8 3.13 207 149 A 13 ASN HD22 A 13 ASN HBy 1.0 1.8 3.13 208 149 A 13 ASN HBx A 13 ASN HD22 1.0 1.8 3.13 209 150 A 14 LEU H A 13 ASN HBy 1.0 1.8 3.53 210 150 A 13 ASN HBx A 14 LEU H 1.0 1.8 3.53 211 151 A 13 ASN H A 13 ASN HBy 1.0 1.8 3.55 212 152 A 13 ASN HBx A 13 ASN H 1.0 1.8 3.55 213 153 A 14 LEU H A 13 ASN H 1.0 1.8 3.46 214 154 A 14 LEU HD1% A 14 LEU HA 1.0 1.8 3.09 215 155 A 14 LEU HD2% A 14 LEU HA 1.0 1.8 4.07 216 156 A 14 LEU HA A 14 LEU HG 1.0 1.8 4.24 217 157 A 14 LEU HD1% A 14 LEU HBy 1.0 1.8 3.25 218 157 A 14 LEU HD1% A 14 LEU HBx 1.0 1.8 3.25 219 158 A 14 LEU HD2% A 14 LEU HBy 1.0 1.8 3.13 220 158 A 14 LEU HD2% A 14 LEU HBx 1.0 1.8 3.13 221 159 A 15 PHE H A 14 LEU HBy 1.0 1.8 4.11 222 160 A 14 LEU HBx A 15 PHE H 1.0 1.8 4.11 223 161 A 14 LEU HD1% A 15 PHE H 1.0 1.8 4.75 224 162 A 14 LEU H A 14 LEU HBy 1.0 1.8 3.04 225 162 A 14 LEU H A 14 LEU HBx 1.0 1.8 3.04 226 163 A 14 LEU H A 14 LEU HD1% 1.0 1.8 4.43 227 164 A 14 LEU H A 14 LEU HD2% 1.0 1.8 4.43 228 165 A 14 LEU H A 14 LEU HG 1.0 1.8 4.69 229 166 A 14 LEU H A 15 PHE H 1.0 1.8 3.70 230 167 A 15 PHE HD% A 15 PHE HA 1.0 1.8 3.84 231 168 A 15 PHE HA A 16 ASN H 1.0 1.8 3.39 232 169 A 16 ASN H A 15 PHE HBx 1.0 1.8 4.04 233 169 A 16 ASN H A 15 PHE HBy 1.0 1.8 4.04 234 170 A 17 LEU HD2% A 15 PHE HBx 1.0 1.8 4.30 235 170 A 15 PHE HBy A 17 LEU HD2% 1.0 1.8 4.30 236 171 A 15 PHE H A 15 PHE HBx 1.0 1.8 3.39 237 171 A 15 PHE H A 15 PHE HBy 1.0 1.8 3.39 238 172 A 15 PHE HD% A 15 PHE H 1.0 1.8 3.90 239 173 A 15 PHE H A 16 ASN H 1.0 1.8 3.23 240 174 A 16 ASN HBy A 16 ASN HD21 1.0 1.8 3.15 241 174 A 16 ASN HBx A 16 ASN HD21 1.0 1.8 3.15 242 174 A 16 ASN HD22 A 16 ASN HBx 1.0 1.8 3.15 243 174 A 16 ASN HBy A 16 ASN HD22 1.0 1.8 3.15 244 175 A 16 ASN H A 16 ASN HA 1.0 1.8 2.90 245 176 A 16 ASN H A 16 ASN HBx 1.0 1.8 3.60 246 176 A 16 ASN H A 16 ASN HBy 1.0 1.8 3.60 247 177 A 17 LEU H A 16 ASN H 1.0 1.8 3.57 248 178 A 17 LEU HD2% A 17 LEU HA 1.0 1.8 3.54 249 179 A 17 LEU HA A 18 PRO HDy 1.0 1.8 3.56 250 179 A 17 LEU HA A 18 PRO HDx 1.0 1.8 3.56 251 180 A 17 LEU HA A 60 THR HG2% 1.0 1.8 4.50 252 181 A 17 LEU HD1% A 17 LEU HBy 1.0 1.8 3.54 253 181 A 17 LEU HD1% A 17 LEU HBx 1.0 1.8 3.54 254 182 A 17 LEU HD2% A 17 LEU HBy 1.0 1.8 3.61 255 183 A 17 LEU HD2% A 17 LEU HBx 1.0 1.8 3.61 256 184 A 17 LEU HD1% A 23 TRP HZ2 1.0 1.8 5.00 257 185 A 17 LEU HD1% A 61 LEU HA 1.0 1.8 4.65 258 186 A 17 LEU HD1% A 61 LEU HD2% 1.0 1.8 3.50 259 186 A 17 LEU HD1% A 61 LEU HD1% 1.0 1.8 3.50 260 187 A 66 ILE HG2% A 17 LEU HD1% 1.0 1.8 4.59 261 188 A 17 LEU HD2% A 18 PRO HDy 1.0 1.8 3.19 262 188 A 17 LEU HD2% A 18 PRO HDx 1.0 1.8 3.19 263 189 A 17 LEU HD2% A 60 THR HA 1.0 1.8 5.10 264 190 A 17 LEU HD2% A 60 THR HB 1.0 1.8 4.40 265 191 A 17 LEU HD2% A 60 THR HG2% 1.0 1.8 4.00 266 192 A 17 LEU HD2% A 61 LEU HD2% 1.0 1.8 4.18 267 192 A 17 LEU HD2% A 61 LEU HD1% 1.0 1.8 4.18 268 193 A 17 LEU HD1% A 17 LEU H 1.0 1.8 4.31 269 194 A 17 LEU H A 17 LEU HD2% 1.0 1.8 3.85 270 195 A 17 LEU HG A 17 LEU H 1.0 1.8 4.40 271 196 A 18 PRO HA A 19 ARG H 1.0 1.8 3.16 272 197 A 18 PRO HA A 20 ASP H 1.0 1.8 4.26 273 198 A 19 ARG H A 18 PRO HBx 1.0 1.8 4.03 274 198 A 19 ARG H A 18 PRO HBy 1.0 1.8 4.03 275 199 A 60 THR HG2% A 18 PRO HDy 1.0 1.8 4.00 276 200 A 18 PRO HDx A 60 THR HG2% 1.0 1.8 4.00 277 201 A 60 THR HG2% A 18 PRO HGx 1.0 1.8 4.60 278 201 A 60 THR HG2% A 18 PRO HGy 1.0 1.8 4.60 279 202 A 19 ARG HA A 19 ARG HDx 1.0 1.8 4.74 280 202 A 19 ARG HA A 19 ARG HDy 1.0 1.8 4.74 281 203 A 19 ARG HA A 19 ARG HGx 1.0 1.8 3.76 282 203 A 19 ARG HA A 19 ARG HGy 1.0 1.8 3.76 283 204 A 20 ASP H A 19 ARG HBx 1.0 1.8 3.85 284 204 A 20 ASP H A 19 ARG HBy 1.0 1.8 3.85 285 205 A 19 ARG HDy A 19 ARG HBy 1.0 1.8 4.21 286 205 A 19 ARG HBy A 19 ARG HDx 1.0 1.8 4.21 287 206 A 19 ARG HDy A 19 ARG HBx 1.0 1.8 4.21 288 206 A 19 ARG HBx A 19 ARG HDx 1.0 1.8 4.21 289 207 A 19 ARG H A 19 ARG HBx 1.0 1.8 3.45 290 207 A 19 ARG H A 19 ARG HBy 1.0 1.8 3.45 291 208 A 19 ARG H A 19 ARG HDx 1.0 1.8 5.00 292 208 A 19 ARG HDy A 19 ARG H 1.0 1.8 5.00 293 209 A 19 ARG H A 19 ARG HGx 1.0 1.8 4.03 294 209 A 19 ARG HGy A 19 ARG H 1.0 1.8 4.03 295 210 A 19 ARG H A 20 ASP H 1.0 1.8 3.55 296 211 A 21 GLU H A 20 ASP HBx 1.0 1.8 4.48 297 211 A 20 ASP HBy A 21 GLU H 1.0 1.8 4.48 298 212 A 20 ASP H A 20 ASP HBx 1.0 1.8 3.47 299 212 A 20 ASP H A 20 ASP HBy 1.0 1.8 3.47 300 213 A 20 ASP H A 21 GLU H 1.0 1.8 3.61 301 214 A 21 GLU HA A 21 GLU HGy 1.0 1.8 4.43 302 215 A 21 GLU HA A 21 GLU HGx 1.0 1.8 4.43 303 216 A 21 GLU HA A 22 LYS H 1.0 1.8 3.28 304 217 A 22 LYS H A 21 GLU HGx 1.0 1.8 4.80 305 217 A 22 LYS H A 21 GLU HGy 1.0 1.8 4.80 306 218 A 21 GLU H A 21 GLU HBy 1.0 1.8 3.66 307 219 A 21 GLU H A 21 GLU HBx 1.0 1.8 3.66 308 220 A 21 GLU H A 21 GLU HGx 1.0 1.8 4.55 309 220 A 21 GLU H A 21 GLU HGy 1.0 1.8 4.55 310 221 A 22 LYS HA A 22 LYS HDx 1.0 1.8 4.56 311 221 A 22 LYS HA A 22 LYS HDy 1.0 1.8 4.56 312 222 A 22 LYS HA A 22 LYS HGx 1.0 1.8 3.65 313 222 A 22 LYS HA A 22 LYS HGy 1.0 1.8 3.65 314 223 A 22 LYS HA A 23 TRP H 1.0 1.8 3.18 315 224 A 22 LYS HBx A 22 LYS HDx 1.0 1.8 3.51 316 224 A 22 LYS HBy A 22 LYS HDx 1.0 1.8 3.51 317 224 A 22 LYS HDy A 22 LYS HBx 1.0 1.8 3.51 318 224 A 22 LYS HDy A 22 LYS HBy 1.0 1.8 3.51 319 225 A 23 TRP H A 22 LYS HBx 1.0 1.8 3.91 320 225 A 23 TRP H A 22 LYS HBy 1.0 1.8 3.91 321 226 A 22 LYS HDy A 22 LYS HGx 1.0 1.8 2.35 322 226 A 22 LYS HDx A 22 LYS HGx 1.0 1.8 2.35 323 226 A 22 LYS HGy A 22 LYS HDx 1.0 1.8 2.35 324 226 A 22 LYS HDy A 22 LYS HGy 1.0 1.8 2.35 325 227 A 22 LYS HEy A 22 LYS HGx 1.0 1.8 3.53 326 227 A 22 LYS HEx A 22 LYS HGx 1.0 1.8 3.53 327 227 A 22 LYS HGy A 22 LYS HEx 1.0 1.8 3.53 328 227 A 22 LYS HGy A 22 LYS HEy 1.0 1.8 3.53 329 228 A 23 TRP H A 22 LYS HGx 1.0 1.8 4.70 330 228 A 22 LYS HGy A 23 TRP H 1.0 1.8 4.70 331 229 A 22 LYS H A 22 LYS HBx 1.0 1.8 3.17 332 229 A 22 LYS H A 22 LYS HBy 1.0 1.8 3.17 333 230 A 23 TRP HA A 23 TRP HD1 1.0 1.8 4.72 334 231 A 23 TRP HA A 24 GLU H 1.0 1.8 3.41 335 232 A 23 TRP HA A 58 SER HA 1.0 1.8 4.76 336 233 A 23 TRP HA A 58 SER HBx 1.0 1.8 4.46 337 233 A 23 TRP HA A 58 SER HBy 1.0 1.8 4.46 338 234 A 24 GLU H A 23 TRP HBx 1.0 1.8 4.28 339 234 A 24 GLU H A 23 TRP HBy 1.0 1.8 4.28 340 235 A 56 TYR HD% A 23 TRP HBx 1.0 1.8 4.28 341 235 A 23 TRP HBy A 56 TYR HD% 1.0 1.8 4.28 342 236 A 23 TRP HD1 A 58 SER HBx 1.0 1.8 4.80 343 236 A 23 TRP HD1 A 58 SER HBy 1.0 1.8 4.80 344 237 A 23 TRP H A 23 TRP HBx 1.0 1.8 3.64 345 237 A 23 TRP H A 23 TRP HBy 1.0 1.8 3.64 346 238 A 23 TRP H A 24 GLU H 1.0 1.8 4.83 347 239 A 23 TRP HZ2 A 61 LEU HD1% 1.0 1.8 5.00 348 240 A 23 TRP HZ2 A 61 LEU HD2% 1.0 1.8 5.00 349 241 A 24 GLU HA A 24 GLU HGx 1.0 1.8 3.69 350 241 A 24 GLU HA A 24 GLU HGy 1.0 1.8 3.69 351 242 A 24 GLU HA A 25 CYS H 1.0 1.8 3.27 352 243 A 25 CYS H A 24 GLU HBx 1.0 1.8 3.75 353 243 A 25 CYS H A 24 GLU HBy 1.0 1.8 3.75 354 244 A 25 CYS H A 24 GLU HGx 1.0 1.8 4.70 355 244 A 24 GLU HGy A 25 CYS H 1.0 1.8 4.70 356 245 A 57 TYR H A 24 GLU HGx 1.0 1.8 4.91 357 245 A 24 GLU HGy A 57 TYR H 1.0 1.8 4.91 358 246 A 24 GLU H A 24 GLU HBx 1.0 1.8 3.63 359 246 A 24 GLU H A 24 GLU HBy 1.0 1.8 3.63 360 247 A 24 GLU H A 25 CYS H 1.0 1.8 5.20 361 248 A 24 GLU H A 57 TYR H 1.0 1.8 4.70 362 249 A 25 CYS HA A 26 GLU H 1.0 1.8 3.39 363 250 A 25 CYS HA A 56 TYR HA 1.0 1.8 3.69 364 251 A 26 GLU H A 25 CYS HBy 1.0 1.8 4.44 365 251 A 26 GLU H A 25 CYS HBx 1.0 1.8 4.44 366 252 A 56 TYR HE% A 25 CYS HBy 1.0 1.8 4.56 367 253 A 25 CYS HBx A 56 TYR HE% 1.0 1.8 4.56 368 254 A 25 CYS H A 25 CYS HBy 1.0 1.8 3.68 369 254 A 25 CYS H A 25 CYS HBx 1.0 1.8 3.68 370 255 A 26 GLU HA A 26 GLU HGx 1.0 1.8 3.80 371 255 A 26 GLU HA A 26 GLU HGy 1.0 1.8 3.80 372 256 A 26 GLU HA A 27 SER H 1.0 1.8 3.24 373 257 A 55 THR HB A 26 GLU HBx 1.0 1.8 4.07 374 257 A 26 GLU HBy A 55 THR HB 1.0 1.8 4.07 375 258 A 55 THR HG2% A 26 GLU HBx 1.0 1.8 5.34 376 258 A 26 GLU HBy A 55 THR HG2% 1.0 1.8 5.34 377 259 A 57 TYR HD% A 26 GLU HBx 1.0 1.8 3.71 378 259 A 26 GLU HBy A 57 TYR HD% 1.0 1.8 3.71 379 260 A 57 TYR HE% A 26 GLU HBx 1.0 1.8 3.88 380 260 A 26 GLU HBy A 57 TYR HE% 1.0 1.8 3.88 381 261 A 28 ILE HG2% A 26 GLU HGx 1.0 1.8 5.00 382 261 A 26 GLU HGy A 28 ILE HG2% 1.0 1.8 5.00 383 262 A 26 GLU H A 26 GLU HBx 1.0 1.8 3.38 384 262 A 26 GLU H A 26 GLU HBy 1.0 1.8 3.38 385 263 A 26 GLU H A 26 GLU HGx 1.0 1.8 4.54 386 263 A 26 GLU H A 26 GLU HGy 1.0 1.8 4.54 387 264 A 26 GLU H A 55 THR HB 1.0 1.8 4.81 388 265 A 26 GLU H A 55 THR H 1.0 1.8 4.13 389 266 A 26 GLU H A 56 TYR HA 1.0 1.8 4.56 390 267 A 27 SER HA A 28 ILE H 1.0 1.8 3.29 391 268 A 27 SER HA A 54 ASN HA 1.0 1.8 3.57 392 269 A 55 THR H A 27 SER HA 1.0 1.8 5.00 393 270 A 28 ILE H A 27 SER HBy 1.0 1.8 4.30 394 270 A 28 ILE H A 27 SER HBx 1.0 1.8 4.30 395 271 A 54 ASN HA A 27 SER HBy 1.0 1.8 5.21 396 271 A 54 ASN HA A 27 SER HBx 1.0 1.8 5.21 397 272 A 27 SER H A 27 SER HBy 1.0 1.8 4.05 398 273 A 27 SER H A 27 SER HBx 1.0 1.8 4.05 399 274 A 27 SER H A 28 ILE H 1.0 1.8 4.50 400 275 A 28 ILE HG2% A 28 ILE HA 1.0 1.8 3.42 401 276 A 28 ILE HA A 29 GLU H 1.0 1.8 3.21 402 277 A 28 ILE HB A 28 ILE HD1% 1.0 1.8 3.52 403 278 A 29 GLU H A 28 ILE HB 1.0 1.8 4.70 404 279 A 29 GLU H A 28 ILE HG1y 1.0 1.8 5.23 405 280 A 29 GLU H A 28 ILE HG1x 1.0 1.8 5.23 406 281 A 28 ILE HG2% A 28 ILE HD1% 1.0 1.8 3.42 407 282 A 28 ILE HG2% A 28 ILE HG1y 1.0 1.8 3.78 408 283 A 28 ILE HG2% A 28 ILE HG1x 1.0 1.8 3.78 409 284 A 28 ILE HG2% A 29 GLU H 1.0 1.8 4.52 410 285 A 28 ILE H A 28 ILE HG1x 1.0 1.8 4.75 411 286 A 28 ILE H A 53 THR H 1.0 1.8 4.60 412 287 A 29 GLU HA A 29 GLU HGy 1.0 1.8 3.92 413 288 A 29 GLU HA A 29 GLU HGx 1.0 1.8 3.92 414 289 A 29 GLU HA A 30 GLU H 1.0 1.8 3.34 415 290 A 29 GLU HA A 50 ILE HG2% 1.0 1.8 5.00 416 291 A 29 GLU HA A 52 GLN HA 1.0 1.8 3.67 417 292 A 53 THR H A 29 GLU HA 1.0 1.8 4.31 418 293 A 50 ILE HG2% A 29 GLU HBx 1.0 1.8 3.61 419 293 A 50 ILE HG2% A 29 GLU HBy 1.0 1.8 3.61 420 294 A 30 GLU H A 29 GLU HBy 1.0 1.8 4.47 421 295 A 30 GLU H A 29 GLU HBx 1.0 1.8 4.47 422 296 A 50 ILE HG2% A 29 GLU HGx 1.0 1.8 4.91 423 296 A 50 ILE HG2% A 29 GLU HGy 1.0 1.8 4.91 424 297 A 52 GLN HA A 29 GLU HGy 1.0 1.8 4.85 425 298 A 52 GLN HA A 29 GLU HGx 1.0 1.8 4.85 426 299 A 29 GLU H A 29 GLU HBy 1.0 1.8 4.10 427 300 A 29 GLU H A 29 GLU HBx 1.0 1.8 4.10 428 301 A 29 GLU H A 29 GLU HGy 1.0 1.8 4.55 429 302 A 29 GLU H A 29 GLU HGx 1.0 1.8 4.55 430 303 A 30 GLU HA A 30 GLU HGy 1.0 1.8 4.16 431 304 A 30 GLU HA A 30 GLU HGx 1.0 1.8 4.16 432 305 A 30 GLU HA A 31 VAL H 1.0 1.8 3.32 433 306 A 35 ILE HG2% A 30 GLU HBx 1.0 1.8 4.31 434 306 A 30 GLU HBy A 35 ILE HG2% 1.0 1.8 4.31 435 307 A 31 VAL H A 30 GLU HBy 1.0 1.8 4.29 436 308 A 31 VAL H A 30 GLU HBx 1.0 1.8 4.29 437 309 A 31 VAL H A 30 GLU HGx 1.0 1.8 5.14 438 309 A 31 VAL H A 30 GLU HGy 1.0 1.8 5.14 439 310 A 35 ILE HG2% A 30 GLU HGx 1.0 1.8 5.01 440 310 A 35 ILE HG2% A 30 GLU HGy 1.0 1.8 5.01 441 311 A 53 THR HG2% A 30 GLU HGx 1.0 1.8 5.00 442 311 A 30 GLU HGy A 53 THR HG2% 1.0 1.8 5.00 443 312 A 30 GLU H A 30 GLU HGx 1.0 1.8 4.37 444 312 A 30 GLU H A 30 GLU HGy 1.0 1.8 4.37 445 313 A 30 GLU H A 50 ILE HG2% 1.0 1.8 5.00 446 314 A 30 GLU H A 51 LEU H 1.0 1.8 3.98 447 315 A 30 GLU H A 53 THR HG2% 1.0 1.8 5.20 448 316 A 31 VAL HA A 31 VAL HG1% 1.0 1.8 3.37 449 317 A 31 VAL HA A 31 VAL HG2% 1.0 1.8 3.42 450 318 A 31 VAL HA A 32 ALA H 1.0 1.8 3.25 451 319 A 31 VAL HA A 50 ILE HA 1.0 1.8 3.06 452 320 A 31 VAL HA A 50 ILE HD1% 1.0 1.8 4.78 453 321 A 31 VAL HA A 50 ILE HG1y 1.0 1.8 4.79 454 321 A 31 VAL HA A 50 ILE HG1x 1.0 1.8 4.79 455 322 A 31 VAL HA A 51 LEU HDy% 1.0 1.8 5.28 456 322 A 31 VAL HA A 51 LEU HDx% 1.0 1.8 5.28 457 323 A 51 LEU H A 31 VAL HA 1.0 1.8 3.78 458 324 A 31 VAL HB A 34 ASP H 1.0 1.8 4.09 459 325 A 31 VAL HG1% A 33 ASP HBx 1.0 1.8 4.55 460 325 A 33 ASP HBy A 31 VAL HG1% 1.0 1.8 4.55 461 325 A 31 VAL HG2% A 33 ASP HBy 1.0 1.8 4.55 462 325 A 31 VAL HG2% A 33 ASP HBx 1.0 1.8 4.55 463 326 A 33 ASP H A 31 VAL HG1% 1.0 1.8 3.55 464 326 A 31 VAL HG2% A 33 ASP H 1.0 1.8 3.55 465 327 A 34 ASP H A 31 VAL HG1% 1.0 1.8 3.55 466 327 A 34 ASP H A 31 VAL HG2% 1.0 1.8 3.55 467 328 A 32 ALA H A 31 VAL HG1% 1.0 1.8 3.25 468 329 A 34 ASP HBy A 31 VAL HG1% 1.0 1.8 5.27 469 329 A 31 VAL HG1% A 34 ASP HBx 1.0 1.8 5.27 470 330 A 48 ASN HA A 31 VAL HG1% 1.0 1.8 4.61 471 331 A 48 ASN HBy A 31 VAL HG1% 1.0 1.8 5.50 472 331 A 31 VAL HG1% A 48 ASN HBx 1.0 1.8 5.50 473 332 A 49 LYS H A 31 VAL HG1% 1.0 1.8 3.95 474 333 A 50 ILE HA A 31 VAL HG1% 1.0 1.8 4.86 475 334 A 31 VAL HG2% A 34 ASP HBy 1.0 1.8 5.27 476 334 A 31 VAL HG2% A 34 ASP HBx 1.0 1.8 5.27 477 335 A 31 VAL HG2% A 48 ASN HA 1.0 1.8 4.61 478 336 A 31 VAL HG2% A 48 ASN HBy 1.0 1.8 5.50 479 336 A 31 VAL HG2% A 48 ASN HBx 1.0 1.8 5.50 480 337 A 50 ILE HA A 31 VAL HG2% 1.0 1.8 3.66 481 338 A 31 VAL HG2% A 50 ILE HG1y 1.0 1.8 4.62 482 339 A 50 ILE HG1x A 31 VAL HG2% 1.0 1.8 4.62 483 340 A 31 VAL H A 31 VAL HB 1.0 1.8 3.46 484 341 A 31 VAL H A 31 VAL HG2% 1.0 1.8 3.48 485 342 A 31 VAL H A 50 ILE HA 1.0 1.8 4.70 486 343 A 35 ILE HG2% A 32 ALA HA 1.0 1.8 5.00 487 344 A 32 ALA HA A 36 LEU HBy 1.0 1.8 5.50 488 344 A 32 ALA HA A 36 LEU HBx 1.0 1.8 5.50 489 345 A 32 ALA HA A 51 LEU HBy 1.0 1.8 4.60 490 345 A 32 ALA HA A 51 LEU HBx 1.0 1.8 4.60 491 346 A 32 ALA HA A 51 LEU HDy% 1.0 1.8 4.30 492 346 A 51 LEU HDx% A 32 ALA HA 1.0 1.8 4.30 493 347 A 32 ALA HA A 71 LEU HD1% 1.0 1.8 4.82 494 348 A 33 ASP H A 32 ALA HB% 1.0 1.8 3.56 495 349 A 32 ALA HB% A 36 LEU HBy 1.0 1.8 4.35 496 349 A 36 LEU HBx A 32 ALA HB% 1.0 1.8 4.35 497 350 A 32 ALA HB% A 36 LEU HD1% 1.0 1.8 5.00 498 351 A 32 ALA HB% A 36 LEU HD2% 1.0 1.8 6.00 499 352 A 32 ALA HB% A 41 VAL HG1% 1.0 1.8 3.98 500 353 A 32 ALA HB% A 41 VAL HG2% 1.0 1.8 3.16 501 354 A 32 ALA HB% A 46 LEU HA 1.0 1.8 4.97 502 355 A 32 ALA HB% A 47 SER HA 1.0 1.8 5.80 503 356 A 49 LYS H A 32 ALA HB% 1.0 1.8 4.54 504 357 A 32 ALA HB% A 51 LEU HA 1.0 1.8 6.00 505 358 A 32 ALA HB% A 51 LEU HDy% 1.0 1.8 3.80 506 358 A 51 LEU HDx% A 32 ALA HB% 1.0 1.8 3.80 507 359 A 32 ALA H A 32 ALA HB% 1.0 1.8 3.24 508 360 A 32 ALA H A 33 ASP H 1.0 1.8 4.24 509 361 A 32 ALA H A 34 ASP H 1.0 1.8 4.77 510 362 A 32 ALA H A 49 LYS H 1.0 1.8 4.38 511 363 A 32 ALA H A 50 ILE HA 1.0 1.8 4.12 512 364 A 32 ALA H A 51 LEU HBy 1.0 1.8 5.50 513 364 A 32 ALA H A 51 LEU HBx 1.0 1.8 5.50 514 365 A 32 ALA H A 51 LEU HDy% 1.0 1.8 5.31 515 366 A 33 ASP HA A 41 VAL HB 1.0 1.8 4.41 516 367 A 41 VAL HG1% A 33 ASP HA 1.0 1.8 3.47 517 368 A 41 VAL HG2% A 33 ASP HA 1.0 1.8 3.32 518 369 A 34 ASP H A 33 ASP HBx 1.0 1.8 3.97 519 369 A 34 ASP H A 33 ASP HBy 1.0 1.8 3.97 520 370 A 41 VAL HG1% A 33 ASP HBx 1.0 1.8 5.00 521 370 A 33 ASP HBy A 41 VAL HG1% 1.0 1.8 5.00 522 371 A 41 VAL HG2% A 33 ASP HBx 1.0 1.8 5.00 523 371 A 33 ASP HBy A 41 VAL HG2% 1.0 1.8 5.00 524 372 A 33 ASP H A 33 ASP HBx 1.0 1.8 3.57 525 372 A 33 ASP HBy A 33 ASP H 1.0 1.8 3.57 526 373 A 34 ASP H A 33 ASP H 1.0 1.8 3.90 527 374 A 33 ASP H A 41 VAL HG1% 1.0 1.8 4.66 528 375 A 33 ASP H A 41 VAL HG2% 1.0 1.8 4.85 529 376 A 35 ILE HG2% A 34 ASP HBx 1.0 1.8 5.00 530 376 A 35 ILE HG2% A 34 ASP HBy 1.0 1.8 5.00 531 377 A 35 ILE H A 34 ASP HBx 1.0 1.8 4.16 532 377 A 34 ASP HBy A 35 ILE H 1.0 1.8 4.16 533 378 A 34 ASP H A 34 ASP HBx 1.0 1.8 3.24 534 378 A 34 ASP H A 34 ASP HBy 1.0 1.8 3.24 535 379 A 34 ASP H A 35 ILE H 1.0 1.8 3.26 536 380 A 35 ILE HA A 35 ILE HD1% 1.0 1.8 4.27 537 381 A 35 ILE HG2% A 35 ILE HA 1.0 1.8 3.54 538 382 A 35 ILE HD1% A 35 ILE HB 1.0 1.8 3.30 539 383 A 35 ILE HD1% A 51 LEU HDy% 1.0 1.8 5.00 540 383 A 51 LEU HDx% A 35 ILE HD1% 1.0 1.8 5.00 541 384 A 53 THR HG2% A 35 ILE HD1% 1.0 1.8 4.60 542 385 A 71 LEU HD1% A 35 ILE HD1% 1.0 1.8 4.37 543 386 A 35 ILE HD1% A 71 LEU HD2% 1.0 1.8 4.60 544 387 A 35 ILE HD1% A 71 LEU HG 1.0 1.8 4.75 545 388 A 35 ILE HD1% A 89 MET HE% 1.0 1.8 5.80 546 389 A 36 LEU H A 35 ILE HG1y 1.0 1.8 4.28 547 389 A 35 ILE HG1x A 36 LEU H 1.0 1.8 4.28 548 390 A 35 ILE HG2% A 35 ILE HD1% 1.0 1.8 3.57 549 391 A 35 ILE HG2% A 35 ILE HG1y 1.0 1.8 3.80 550 392 A 35 ILE HG2% A 35 ILE HG1x 1.0 1.8 3.80 551 393 A 35 ILE HG2% A 36 LEU H 1.0 1.8 4.41 552 394 A 35 ILE HG2% A 53 THR HG2% 1.0 1.8 5.00 553 395 A 35 ILE H A 35 ILE HB 1.0 1.8 3.93 554 396 A 35 ILE H A 35 ILE HG1y 1.0 1.8 4.21 555 396 A 35 ILE H A 35 ILE HG1x 1.0 1.8 4.21 556 397 A 35 ILE HG2% A 35 ILE H 1.0 1.8 3.60 557 398 A 35 ILE H A 36 LEU H 1.0 1.8 3.31 558 399 A 36 LEU HD1% A 36 LEU HA 1.0 1.8 4.10 559 400 A 36 LEU HD2% A 36 LEU HA 1.0 1.8 3.30 560 401 A 36 LEU HA A 37 PRO HDx 1.0 1.8 3.31 561 401 A 36 LEU HA A 37 PRO HDy 1.0 1.8 3.31 562 402 A 89 MET HE% A 36 LEU HA 1.0 1.8 4.71 563 403 A 36 LEU HD2% A 36 LEU HBy 1.0 1.8 3.42 564 403 A 36 LEU HBx A 36 LEU HD2% 1.0 1.8 3.42 565 404 A 36 LEU HD1% A 36 LEU HBy 1.0 1.8 3.70 566 405 A 41 VAL HG2% A 36 LEU HBy 1.0 1.8 3.94 567 406 A 36 LEU HBx A 36 LEU HD1% 1.0 1.8 3.70 568 407 A 36 LEU HBx A 41 VAL HG2% 1.0 1.8 3.94 569 408 A 36 LEU HD1% A 79 ALA HB% 1.0 1.8 4.59 570 409 A 36 LEU HD1% A 94 LEU HD1% 1.0 1.8 4.80 571 410 A 36 LEU HD2% A 37 PRO HDx 1.0 1.8 3.19 572 410 A 36 LEU HD2% A 37 PRO HDy 1.0 1.8 3.19 573 411 A 36 LEU HD2% A 40 TYR HD% 1.0 1.8 5.00 574 412 A 36 LEU HD2% A 79 ALA HB% 1.0 1.8 4.52 575 413 A 36 LEU HD2% A 91 PHE HD% 1.0 1.8 4.61 576 414 A 36 LEU HD2% A 91 PHE HE% 1.0 1.8 4.13 577 415 A 79 ALA HB% A 36 LEU HG 1.0 1.8 5.50 578 416 A 36 LEU H A 36 LEU HBy 1.0 1.8 3.82 579 417 A 36 LEU HBx A 36 LEU H 1.0 1.8 3.82 580 418 A 36 LEU HD1% A 36 LEU H 1.0 1.8 4.16 581 419 A 36 LEU HD2% A 36 LEU H 1.0 1.8 4.61 582 420 A 36 LEU H A 36 LEU HG 1.0 1.8 4.68 583 421 A 41 VAL HG2% A 36 LEU H 1.0 1.8 4.75 584 422 A 37 PRO HA A 38 ASP H 1.0 1.8 3.11 585 423 A 39 GLN H A 37 PRO HBy 1.0 1.8 5.00 586 423 A 37 PRO HBx A 39 GLN H 1.0 1.8 5.00 587 424 A 38 ASP H A 37 PRO HBy 1.0 1.8 4.63 588 425 A 38 ASP H A 37 PRO HBx 1.0 1.8 4.63 589 426 A 37 PRO HDx A 40 TYR HBx 1.0 1.8 4.61 590 426 A 37 PRO HDy A 40 TYR HBx 1.0 1.8 4.61 591 426 A 40 TYR HBy A 37 PRO HDx 1.0 1.8 4.61 592 426 A 37 PRO HDy A 40 TYR HBy 1.0 1.8 4.61 593 427 A 40 TYR HD% A 37 PRO HDx 1.0 1.8 5.00 594 427 A 37 PRO HDy A 40 TYR HD% 1.0 1.8 5.00 595 428 A 89 MET HE% A 37 PRO HDx 1.0 1.8 5.31 596 428 A 89 MET HE% A 37 PRO HDy 1.0 1.8 5.31 597 429 A 91 PHE HZ A 37 PRO HDx 1.0 1.8 5.00 598 429 A 37 PRO HDy A 91 PHE HZ 1.0 1.8 5.00 599 430 A 41 VAL HB A 38 ASP HA 1.0 1.8 4.36 600 431 A 41 VAL HG1% A 38 ASP HA 1.0 1.8 5.00 601 432 A 41 VAL HG2% A 38 ASP HA 1.0 1.8 5.00 602 433 A 38 ASP HA A 41 VAL H 1.0 1.8 3.94 603 434 A 39 GLN H A 38 ASP HBx 1.0 1.8 3.78 604 434 A 39 GLN H A 38 ASP HBy 1.0 1.8 3.78 605 435 A 38 ASP H A 38 ASP HBx 1.0 1.8 3.17 606 435 A 38 ASP H A 38 ASP HBy 1.0 1.8 3.17 607 436 A 38 ASP H A 39 GLN H 1.0 1.8 4.07 608 437 A 39 GLN HA A 42 ARG HGx 1.0 1.8 5.70 609 437 A 39 GLN HA A 42 ARG HGy 1.0 1.8 5.70 610 438 A 39 GLN HBx A 39 GLN HE21 1.0 1.8 4.23 611 438 A 39 GLN HBy A 39 GLN HE21 1.0 1.8 4.23 612 438 A 39 GLN HE22 A 39 GLN HBx 1.0 1.8 4.23 613 438 A 39 GLN HBy A 39 GLN HE22 1.0 1.8 4.23 614 439 A 40 TYR H A 39 GLN HBx 1.0 1.8 3.66 615 439 A 39 GLN HBy A 40 TYR H 1.0 1.8 3.66 616 440 A 39 GLN HE22 A 39 GLN HGx 1.0 1.8 3.14 617 440 A 39 GLN HE21 A 39 GLN HGx 1.0 1.8 3.14 618 440 A 39 GLN HGy A 39 GLN HE21 1.0 1.8 3.14 619 440 A 39 GLN HE22 A 39 GLN HGy 1.0 1.8 3.14 620 441 A 39 GLN H A 39 GLN HBy 1.0 1.8 3.64 621 442 A 39 GLN H A 39 GLN HBx 1.0 1.8 3.64 622 443 A 39 GLN H A 39 GLN HGx 1.0 1.8 4.58 623 443 A 39 GLN H A 39 GLN HGy 1.0 1.8 4.58 624 444 A 39 GLN H A 40 TYR H 1.0 1.8 3.73 625 445 A 40 TYR HD% A 40 TYR HA 1.0 1.8 4.00 626 446 A 40 TYR HA A 101 LEU HD1% 1.0 1.8 5.00 627 447 A 101 LEU HD1% A 40 TYR HBx 1.0 1.8 5.00 628 447 A 40 TYR HBy A 101 LEU HD1% 1.0 1.8 5.00 629 448 A 40 TYR HD% A 94 LEU HD2% 1.0 1.8 4.80 630 449 A 40 TYR HD% A 101 LEU HD1% 1.0 1.8 4.35 631 450 A 94 LEU HD2% A 40 TYR HE% 1.0 1.8 4.80 632 451 A 101 LEU HD1% A 40 TYR HE% 1.0 1.8 4.60 633 452 A 40 TYR H A 40 TYR HBx 1.0 1.8 3.37 634 452 A 40 TYR HBy A 40 TYR H 1.0 1.8 3.37 635 453 A 40 TYR HD% A 40 TYR H 1.0 1.8 4.67 636 454 A 41 VAL H A 40 TYR H 1.0 1.8 3.20 637 455 A 41 VAL HG1% A 41 VAL HA 1.0 1.8 3.19 638 456 A 41 VAL HG2% A 41 VAL HA 1.0 1.8 3.48 639 457 A 41 VAL HA A 46 LEU HBy 1.0 1.8 4.67 640 457 A 41 VAL HA A 46 LEU HBx 1.0 1.8 4.67 641 458 A 41 VAL HA A 46 LEU HD1% 1.0 1.8 4.90 642 459 A 41 VAL HB A 42 ARG H 1.0 1.8 4.52 643 460 A 41 VAL HG1% A 46 LEU HBy 1.0 1.8 4.28 644 460 A 41 VAL HG1% A 46 LEU HBx 1.0 1.8 4.28 645 461 A 41 VAL HG1% A 47 SER HA 1.0 1.8 3.64 646 462 A 41 VAL HG1% A 47 SER HBx 1.0 1.8 3.93 647 462 A 41 VAL HG1% A 47 SER HBy 1.0 1.8 3.93 648 463 A 41 VAL HG1% A 47 SER H 1.0 1.8 4.26 649 464 A 41 VAL HG1% A 48 ASN H 1.0 1.8 5.50 650 465 A 41 VAL HB A 41 VAL H 1.0 1.8 3.80 651 466 A 41 VAL HG2% A 41 VAL H 1.0 1.8 4.00 652 467 A 41 VAL H A 42 ARG H 1.0 1.8 4.00 653 468 A 42 ARG HA A 42 ARG HDx 1.0 1.8 4.70 654 468 A 42 ARG HA A 42 ARG HDy 1.0 1.8 4.70 655 469 A 42 ARG HA A 42 ARG HGx 1.0 1.8 3.67 656 469 A 42 ARG HGy A 42 ARG HA 1.0 1.8 3.67 657 470 A 42 ARG HA A 43 LEU H 1.0 1.8 3.60 658 471 A 42 ARG HBy A 42 ARG HDx 1.0 1.8 3.22 659 471 A 42 ARG HBx A 42 ARG HDx 1.0 1.8 3.22 660 471 A 42 ARG HDy A 42 ARG HBx 1.0 1.8 3.22 661 471 A 42 ARG HDy A 42 ARG HBy 1.0 1.8 3.22 662 472 A 43 LEU H A 42 ARG HBx 1.0 1.8 3.98 663 472 A 43 LEU H A 42 ARG HBy 1.0 1.8 3.98 664 473 A 43 LEU H A 42 ARG HGx 1.0 1.8 4.61 665 473 A 42 ARG HGy A 43 LEU H 1.0 1.8 4.61 666 474 A 42 ARG H A 42 ARG HBx 1.0 1.8 3.53 667 474 A 42 ARG H A 42 ARG HBy 1.0 1.8 3.53 668 475 A 42 ARG H A 42 ARG HDx 1.0 1.8 4.78 669 475 A 42 ARG H A 42 ARG HDy 1.0 1.8 4.78 670 476 A 42 ARG H A 42 ARG HGx 1.0 1.8 4.26 671 476 A 42 ARG HGy A 42 ARG H 1.0 1.8 4.26 672 477 A 43 LEU HA A 43 LEU HD1% 1.0 1.8 4.14 673 478 A 43 LEU HA A 43 LEU HD2% 1.0 1.8 4.14 674 479 A 43 LEU HA A 43 LEU HG 1.0 1.8 3.86 675 480 A 43 LEU HBy A 43 LEU HD2% 1.0 1.8 2.59 676 480 A 43 LEU HBx A 43 LEU HD2% 1.0 1.8 2.59 677 480 A 43 LEU HD1% A 43 LEU HBy 1.0 1.8 2.59 678 480 A 43 LEU HBx A 43 LEU HD1% 1.0 1.8 2.59 679 481 A 44 GLY H A 43 LEU HBy 1.0 1.8 4.00 680 481 A 43 LEU HBx A 44 GLY H 1.0 1.8 4.00 681 482 A 43 LEU HD1% A 43 LEU HBy 1.0 1.8 3.66 682 483 A 43 LEU HBy A 43 LEU HD2% 1.0 1.8 3.66 683 484 A 43 LEU HBx A 43 LEU HD1% 1.0 1.8 3.66 684 485 A 43 LEU HBx A 43 LEU HD2% 1.0 1.8 3.66 685 486 A 44 GLY H A 43 LEU HD2% 1.0 1.8 4.57 686 486 A 43 LEU HD1% A 44 GLY H 1.0 1.8 4.57 687 487 A 43 LEU HD1% A 44 GLY H 1.0 1.8 5.66 688 488 A 44 GLY H A 43 LEU HD2% 1.0 1.8 5.66 689 489 A 43 LEU H A 43 LEU HD1% 1.0 1.8 4.66 690 490 A 43 LEU H A 43 LEU HD2% 1.0 1.8 4.66 691 491 A 43 LEU H A 43 LEU HG 1.0 1.8 4.77 692 492 A 43 LEU H A 44 GLY H 1.0 1.8 3.61 693 493 A 44 GLY HAy A 45 PRO HDx 1.0 1.8 3.54 694 493 A 44 GLY HAy A 45 PRO HDy 1.0 1.8 3.54 695 494 A 44 GLY HAx A 45 PRO HDx 1.0 1.8 3.54 696 494 A 45 PRO HDy A 44 GLY HAx 1.0 1.8 3.54 697 495 A 46 LEU H A 45 PRO HBx 1.0 1.8 3.99 698 495 A 45 PRO HBy A 46 LEU H 1.0 1.8 3.99 699 496 A 46 LEU H A 45 PRO HDx 1.0 1.8 4.36 700 496 A 45 PRO HDy A 46 LEU H 1.0 1.8 4.36 701 497 A 46 LEU H A 45 PRO HGx 1.0 1.8 5.02 702 497 A 46 LEU H A 45 PRO HGy 1.0 1.8 5.02 703 498 A 45 PRO HGy A 96 ASN HD2y 1.0 1.8 5.50 704 498 A 45 PRO HGx A 96 ASN HD2y 1.0 1.8 5.50 705 498 A 96 ASN HD2x A 45 PRO HGx 1.0 1.8 5.50 706 498 A 45 PRO HGy A 96 ASN HD2x 1.0 1.8 5.50 707 499 A 46 LEU HA A 46 LEU HD1% 1.0 1.8 4.50 708 500 A 46 LEU HA A 46 LEU HD2% 1.0 1.8 4.00 709 501 A 46 LEU HA A 46 LEU HG 1.0 1.8 3.99 710 502 A 46 LEU HA A 49 LYS HBy 1.0 1.8 4.36 711 502 A 46 LEU HA A 49 LYS HBx 1.0 1.8 4.36 712 503 A 46 LEU HA A 49 LYS HDx 1.0 1.8 5.15 713 503 A 46 LEU HA A 49 LYS HDy 1.0 1.8 5.15 714 504 A 46 LEU HA A 49 LYS HGx 1.0 1.8 5.00 715 504 A 46 LEU HA A 49 LYS HGy 1.0 1.8 5.00 716 505 A 46 LEU HD2% A 46 LEU HBy 1.0 1.8 3.13 717 505 A 46 LEU HBx A 46 LEU HD2% 1.0 1.8 3.13 718 506 A 47 SER H A 46 LEU HBy 1.0 1.8 3.76 719 506 A 46 LEU HBx A 47 SER H 1.0 1.8 3.76 720 507 A 46 LEU HD1% A 46 LEU HBy 1.0 1.8 3.44 721 508 A 46 LEU HBx A 46 LEU HD1% 1.0 1.8 3.44 722 509 A 46 LEU HD1% A 96 ASN HA 1.0 1.8 4.21 723 510 A 46 LEU HD1% A 96 ASN HD2y 1.0 1.8 4.16 724 510 A 46 LEU HD1% A 96 ASN HD2x 1.0 1.8 4.16 725 511 A 46 LEU HD1% A 97 THR H 1.0 1.8 5.00 726 512 A 46 LEU HD2% A 78 ILE HD1% 1.0 1.8 3.62 727 513 A 46 LEU HD2% A 78 ILE HG2% 1.0 1.8 3.62 728 514 A 46 LEU HD2% A 96 ASN HA 1.0 1.8 4.10 729 515 A 46 LEU HG A 96 ASN HA 1.0 1.8 5.00 730 516 A 46 LEU HG A 96 ASN HBy 1.0 1.8 5.51 731 516 A 46 LEU HG A 96 ASN HBx 1.0 1.8 5.51 732 517 A 46 LEU H A 46 LEU HBy 1.0 1.8 3.59 733 517 A 46 LEU HBx A 46 LEU H 1.0 1.8 3.59 734 518 A 46 LEU HD1% A 46 LEU H 1.0 1.8 4.02 735 519 A 46 LEU H A 46 LEU HD2% 1.0 1.8 4.46 736 520 A 46 LEU H A 46 LEU HG 1.0 1.8 4.02 737 521 A 47 SER H A 46 LEU H 1.0 1.8 3.36 738 522 A 47 SER HA A 48 ASN H 1.0 1.8 3.56 739 523 A 47 SER H A 47 SER HBx 1.0 1.8 3.09 740 523 A 47 SER HBy A 47 SER H 1.0 1.8 3.09 741 524 A 48 ASN HA A 48 ASN HD21 1.0 1.8 4.50 742 524 A 48 ASN HA A 48 ASN HD22 1.0 1.8 4.50 743 525 A 48 ASN HA A 49 LYS H 1.0 1.8 3.47 744 526 A 48 ASN HBx A 48 ASN HD21 1.0 1.8 3.37 745 526 A 48 ASN HBy A 48 ASN HD21 1.0 1.8 3.37 746 526 A 48 ASN HD22 A 48 ASN HBx 1.0 1.8 3.37 747 526 A 48 ASN HBy A 48 ASN HD22 1.0 1.8 3.37 748 527 A 49 LYS H A 48 ASN HBx 1.0 1.8 4.11 749 527 A 48 ASN HBy A 49 LYS H 1.0 1.8 4.11 750 528 A 49 LYS H A 48 ASN H 1.0 1.8 4.00 751 529 A 49 LYS HA A 49 LYS HDx 1.0 1.8 4.44 752 529 A 49 LYS HDy A 49 LYS HA 1.0 1.8 4.44 753 530 A 49 LYS HA A 49 LYS HGx 1.0 1.8 3.59 754 530 A 49 LYS HGy A 49 LYS HA 1.0 1.8 3.59 755 531 A 49 LYS HA A 50 ILE H 1.0 1.8 3.14 756 532 A 50 ILE H A 49 LYS HBy 1.0 1.8 4.09 757 532 A 49 LYS HBx A 50 ILE H 1.0 1.8 4.09 758 533 A 49 LYS HEy A 49 LYS HBy 1.0 1.8 4.87 759 533 A 49 LYS HBy A 49 LYS HEx 1.0 1.8 4.87 760 534 A 49 LYS HBx A 49 LYS HEy 1.0 1.8 4.87 761 534 A 49 LYS HBx A 49 LYS HEx 1.0 1.8 4.87 762 535 A 73 TYR HE% A 49 LYS HDx 1.0 1.8 5.00 763 535 A 49 LYS HDy A 73 TYR HE% 1.0 1.8 5.00 764 536 A 73 TYR HE% A 49 LYS HEx 1.0 1.8 4.60 765 536 A 49 LYS HEy A 73 TYR HE% 1.0 1.8 4.60 766 537 A 97 THR HG2% A 49 LYS HEx 1.0 1.8 4.81 767 537 A 49 LYS HEy A 97 THR HG2% 1.0 1.8 4.81 768 538 A 49 LYS HEx A 49 LYS HGx 1.0 1.8 3.51 769 538 A 49 LYS HGy A 49 LYS HEx 1.0 1.8 3.51 770 538 A 49 LYS HGy A 49 LYS HEy 1.0 1.8 3.51 771 538 A 49 LYS HEy A 49 LYS HGx 1.0 1.8 3.51 772 539 A 49 LYS H A 49 LYS HBy 1.0 1.8 3.41 773 539 A 49 LYS H A 49 LYS HBx 1.0 1.8 3.41 774 540 A 49 LYS H A 49 LYS HDx 1.0 1.8 4.75 775 540 A 49 LYS H A 49 LYS HDy 1.0 1.8 4.75 776 541 A 49 LYS H A 49 LYS HGx 1.0 1.8 4.30 777 541 A 49 LYS H A 49 LYS HGy 1.0 1.8 4.30 778 542 A 50 ILE HA A 50 ILE HD1% 1.0 1.8 4.08 779 543 A 50 ILE HG2% A 50 ILE HA 1.0 1.8 3.70 780 544 A 51 LEU H A 50 ILE HA 1.0 1.8 3.29 781 545 A 50 ILE HD1% A 50 ILE HB 1.0 1.8 3.48 782 546 A 51 LEU H A 50 ILE HB 1.0 1.8 4.54 783 547 A 51 LEU H A 50 ILE HD1% 1.0 1.8 5.50 784 548 A 50 ILE HG2% A 50 ILE HG1y 1.0 1.8 3.57 785 549 A 50 ILE HG2% A 50 ILE HG1x 1.0 1.8 3.57 786 550 A 50 ILE H A 50 ILE HB 1.0 1.8 3.42 787 551 A 50 ILE H A 50 ILE HG1y 1.0 1.8 4.70 788 552 A 50 ILE HG1x A 50 ILE H 1.0 1.8 4.70 789 553 A 51 LEU HDx% A 51 LEU HA 1.0 1.8 4.51 790 554 A 51 LEU HA A 51 LEU HDy% 1.0 1.8 4.51 791 555 A 51 LEU HA A 51 LEU HG 1.0 1.8 4.20 792 556 A 51 LEU HA A 52 GLN H 1.0 1.8 3.19 793 557 A 51 LEU HA A 73 TYR HD% 1.0 1.8 4.11 794 558 A 51 LEU HDx% A 51 LEU HBx 1.0 1.8 3.74 795 558 A 51 LEU HDx% A 51 LEU HBy 1.0 1.8 3.74 796 559 A 51 LEU HBy A 51 LEU HDy% 1.0 1.8 3.74 797 559 A 51 LEU HBx A 51 LEU HDy% 1.0 1.8 3.74 798 560 A 72 TYR H A 51 LEU HBy 1.0 1.8 4.64 799 560 A 51 LEU HBx A 72 TYR H 1.0 1.8 4.64 800 561 A 52 GLN H A 51 LEU HBy 1.0 1.8 4.73 801 562 A 71 LEU HD2% A 51 LEU HBy 1.0 1.8 4.39 802 563 A 51 LEU HBx A 52 GLN H 1.0 1.8 4.73 803 564 A 51 LEU HBx A 71 LEU HD2% 1.0 1.8 4.39 804 565 A 52 GLN H A 51 LEU HDy% 1.0 1.8 4.08 805 565 A 51 LEU HDx% A 52 GLN H 1.0 1.8 4.08 806 566 A 73 TYR HA A 51 LEU HDy% 1.0 1.8 4.84 807 566 A 51 LEU HDx% A 73 TYR HA 1.0 1.8 4.84 808 567 A 73 TYR HD% A 51 LEU HDy% 1.0 1.8 3.67 809 567 A 51 LEU HDx% A 73 TYR HD% 1.0 1.8 3.67 810 568 A 78 ILE HB A 51 LEU HDy% 1.0 1.8 4.30 811 568 A 51 LEU HDx% A 78 ILE HB 1.0 1.8 4.30 812 569 A 51 LEU HDx% A 78 ILE HG1x 1.0 1.8 5.28 813 569 A 51 LEU HDy% A 78 ILE HG1x 1.0 1.8 5.28 814 569 A 78 ILE HG1y A 51 LEU HDy% 1.0 1.8 5.28 815 569 A 51 LEU HDx% A 78 ILE HG1y 1.0 1.8 5.28 816 570 A 78 ILE HG2% A 51 LEU HDy% 1.0 1.8 3.05 817 570 A 51 LEU HDx% A 78 ILE HG2% 1.0 1.8 3.05 818 571 A 51 LEU HG A 52 GLN H 1.0 1.8 5.18 819 572 A 51 LEU H A 51 LEU HBy 1.0 1.8 3.67 820 572 A 51 LEU H A 51 LEU HBx 1.0 1.8 3.67 821 573 A 51 LEU H A 51 LEU HDy% 1.0 1.8 3.40 822 573 A 51 LEU H A 51 LEU HDx% 1.0 1.8 3.40 823 574 A 51 LEU H A 51 LEU HG 1.0 1.8 4.17 824 575 A 52 GLN HA A 52 GLN HGy 1.0 1.8 4.10 825 576 A 52 GLN HA A 52 GLN HGx 1.0 1.8 4.10 826 577 A 53 THR H A 52 GLN HA 1.0 1.8 3.43 827 578 A 72 TYR H A 52 GLN HBx 1.0 1.8 4.57 828 578 A 72 TYR H A 52 GLN HBy 1.0 1.8 4.57 829 579 A 52 GLN HE2y A 52 GLN HGy 1.0 1.8 3.16 830 579 A 52 GLN HE2x A 52 GLN HGy 1.0 1.8 3.16 831 579 A 52 GLN HGx A 52 GLN HE2y 1.0 1.8 3.16 832 579 A 52 GLN HGx A 52 GLN HE2x 1.0 1.8 3.16 833 580 A 53 THR H A 52 GLN HGy 1.0 1.8 4.85 834 580 A 53 THR H A 52 GLN HGx 1.0 1.8 4.85 835 581 A 52 GLN H A 52 GLN HGy 1.0 1.8 4.06 836 581 A 52 GLN H A 52 GLN HGx 1.0 1.8 4.06 837 582 A 52 GLN H A 72 TYR H 1.0 1.8 3.86 838 583 A 53 THR HG2% A 53 THR HA 1.0 1.8 3.33 839 584 A 53 THR HA A 54 ASN H 1.0 1.8 3.53 840 585 A 53 THR HA A 71 LEU HA 1.0 1.8 3.94 841 586 A 71 LEU HD2% A 53 THR HA 1.0 1.8 3.43 842 587 A 72 TYR H A 53 THR HA 1.0 1.8 4.59 843 588 A 54 ASN H A 53 THR HB 1.0 1.8 4.41 844 589 A 71 LEU HD2% A 53 THR HB 1.0 1.8 4.69 845 590 A 53 THR HG2% A 54 ASN H 1.0 1.8 4.26 846 591 A 53 THR HG2% A 71 LEU HD2% 1.0 1.8 3.58 847 592 A 53 THR HG2% A 71 LEU HG 1.0 1.8 5.07 848 593 A 53 THR H A 53 THR HG2% 1.0 1.8 3.97 849 594 A 55 THR H A 54 ASN HA 1.0 1.8 3.38 850 595 A 56 TYR HE% A 54 ASN HBx 1.0 1.8 4.56 851 595 A 56 TYR HE% A 54 ASN HBy 1.0 1.8 4.56 852 596 A 69 PHE HA A 54 ASN HBx 1.0 1.8 5.26 853 596 A 54 ASN HBy A 69 PHE HA 1.0 1.8 5.26 854 597 A 70 ILE HB A 54 ASN HBx 1.0 1.8 5.00 855 597 A 54 ASN HBy A 70 ILE HB 1.0 1.8 5.00 856 598 A 70 ILE HD1% A 54 ASN HBx 1.0 1.8 5.34 857 598 A 70 ILE HD1% A 54 ASN HBy 1.0 1.8 5.34 858 599 A 54 ASN HBy A 70 ILE HG1y 1.0 1.8 5.34 859 599 A 54 ASN HBx A 70 ILE HG1y 1.0 1.8 5.34 860 599 A 70 ILE HG1x A 54 ASN HBx 1.0 1.8 5.34 861 599 A 70 ILE HG1x A 54 ASN HBy 1.0 1.8 5.34 862 600 A 70 ILE H A 54 ASN HBx 1.0 1.8 4.21 863 600 A 54 ASN HBy A 70 ILE H 1.0 1.8 4.21 864 601 A 54 ASN H A 54 ASN HD2x 1.0 1.8 4.78 865 601 A 54 ASN H A 54 ASN HD2y 1.0 1.8 4.78 866 602 A 55 THR H A 54 ASN H 1.0 1.8 4.44 867 603 A 54 ASN H A 70 ILE H 1.0 1.8 4.27 868 604 A 54 ASN H A 71 LEU HA 1.0 1.8 4.23 869 605 A 71 LEU HD2% A 54 ASN H 1.0 1.8 3.72 870 606 A 55 THR HG2% A 55 THR HA 1.0 1.8 3.42 871 607 A 69 PHE HA A 55 THR HA 1.0 1.8 3.84 872 608 A 70 ILE H A 55 THR HA 1.0 1.8 4.61 873 609 A 55 THR HG2% A 56 TYR H 1.0 1.8 3.60 874 610 A 55 THR HG2% A 67 TYR HBx 1.0 1.8 3.57 875 610 A 55 THR HG2% A 67 TYR HBy 1.0 1.8 3.57 876 611 A 55 THR HG2% A 67 TYR HD% 1.0 1.8 3.84 877 612 A 55 THR HG2% A 69 PHE HBx 1.0 1.8 5.80 878 612 A 55 THR HG2% A 69 PHE HBy 1.0 1.8 5.80 879 613 A 55 THR HG2% A 83 ILE HG1x 1.0 1.8 5.70 880 613 A 55 THR HG2% A 83 ILE HG1y 1.0 1.8 5.70 881 614 A 55 THR HB A 55 THR H 1.0 1.8 3.93 882 615 A 56 TYR HD% A 56 TYR HA 1.0 1.8 4.22 883 616 A 56 TYR HA A 56 TYR HE% 1.0 1.8 4.72 884 617 A 57 TYR H A 56 TYR HA 1.0 1.8 3.46 885 618 A 57 TYR H A 56 TYR HBx 1.0 1.8 4.07 886 618 A 57 TYR H A 56 TYR HBy 1.0 1.8 4.07 887 619 A 56 TYR HD% A 57 TYR H 1.0 1.8 4.81 888 620 A 56 TYR HD% A 69 PHE HA 1.0 1.8 4.26 889 621 A 56 TYR HE% A 69 PHE HA 1.0 1.8 4.67 890 622 A 56 TYR HE% A 70 ILE HB 1.0 1.8 4.27 891 623 A 70 ILE HD1% A 56 TYR HE% 1.0 1.8 3.93 892 624 A 56 TYR HE% A 70 ILE HG1y 1.0 1.8 5.50 893 625 A 70 ILE HG1x A 56 TYR HE% 1.0 1.8 5.50 894 626 A 69 PHE HA A 56 TYR H 1.0 1.8 4.46 895 627 A 57 TYR HD% A 57 TYR HA 1.0 1.8 3.94 896 628 A 57 TYR HA A 61 LEU HBy 1.0 1.8 4.65 897 628 A 57 TYR HA A 61 LEU HBx 1.0 1.8 4.65 898 629 A 61 LEU HD1% A 57 TYR HA 1.0 1.8 4.70 899 630 A 58 SER H A 57 TYR HBx 1.0 1.8 3.76 900 630 A 57 TYR HBy A 58 SER H 1.0 1.8 3.76 901 631 A 57 TYR HD% A 58 SER H 1.0 1.8 4.73 902 632 A 57 TYR H A 57 TYR HD% 1.0 1.8 4.55 903 633 A 58 SER HA A 59 ASP H 1.0 1.8 3.12 904 634 A 58 SER HA A 61 LEU HBy 1.0 1.8 4.58 905 634 A 58 SER HA A 61 LEU HBx 1.0 1.8 4.58 906 635 A 59 ASP H A 58 SER HBx 1.0 1.8 4.12 907 635 A 58 SER HBy A 59 ASP H 1.0 1.8 4.12 908 636 A 58 SER H A 61 LEU HBy 1.0 1.8 4.06 909 637 A 61 LEU HBx A 58 SER H 1.0 1.8 4.06 910 638 A 61 LEU HD1% A 58 SER H 1.0 1.8 5.04 911 639 A 58 SER H A 61 LEU H 1.0 1.8 4.20 912 640 A 58 SER H A 62 HIS H 1.0 1.8 4.32 913 641 A 59 ASP HA A 62 HIS HBx 1.0 1.8 3.93 914 641 A 59 ASP HA A 62 HIS HBy 1.0 1.8 3.93 915 642 A 62 HIS H A 59 ASP HA 1.0 1.8 4.80 916 643 A 59 ASP HA A 63 LYS H 1.0 1.8 4.80 917 644 A 60 THR H A 59 ASP HBx 1.0 1.8 3.53 918 644 A 59 ASP HBy A 60 THR H 1.0 1.8 3.53 919 645 A 59 ASP H A 59 ASP HBx 1.0 1.8 3.29 920 645 A 59 ASP H A 59 ASP HBy 1.0 1.8 3.29 921 646 A 60 THR HG2% A 60 THR HA 1.0 1.8 3.22 922 647 A 60 THR HA A 63 LYS HBx 1.0 1.8 4.01 923 647 A 60 THR HA A 63 LYS HBy 1.0 1.8 4.01 924 648 A 60 THR HA A 63 LYS HDx 1.0 1.8 4.00 925 648 A 60 THR HA A 63 LYS HDy 1.0 1.8 4.00 926 649 A 60 THR HA A 63 LYS HGy 1.0 1.8 4.61 927 649 A 60 THR HA A 63 LYS HGx 1.0 1.8 4.61 928 650 A 60 THR HA A 63 LYS H 1.0 1.8 4.93 929 651 A 60 THR HB A 61 LEU H 1.0 1.8 4.41 930 652 A 60 THR HG2% A 60 THR H 1.0 1.8 3.81 931 653 A 61 LEU H A 60 THR H 1.0 1.8 4.04 932 654 A 62 HIS H A 60 THR H 1.0 1.8 4.88 933 655 A 61 LEU HA A 61 LEU HD2% 1.0 1.8 3.30 934 655 A 61 LEU HA A 61 LEU HD1% 1.0 1.8 3.30 935 656 A 61 LEU HA A 61 LEU HD1% 1.0 1.8 4.35 936 657 A 61 LEU HA A 61 LEU HD2% 1.0 1.8 4.35 937 658 A 61 LEU HA A 61 LEU HG 1.0 1.8 4.03 938 659 A 61 LEU HA A 66 ILE HB 1.0 1.8 4.73 939 660 A 61 LEU HD1% A 61 LEU HBx 1.0 1.8 4.05 940 660 A 61 LEU HD1% A 61 LEU HBy 1.0 1.8 4.05 941 661 A 61 LEU HBy A 61 LEU HD2% 1.0 1.8 4.05 942 661 A 61 LEU HBx A 61 LEU HD2% 1.0 1.8 4.05 943 662 A 61 LEU HBx A 68 PRO HDx 1.0 1.8 4.70 944 662 A 61 LEU HBy A 68 PRO HDx 1.0 1.8 4.70 945 662 A 68 PRO HDy A 61 LEU HBy 1.0 1.8 4.70 946 662 A 61 LEU HBx A 68 PRO HDy 1.0 1.8 4.70 947 663 A 62 HIS H A 61 LEU HBy 1.0 1.8 4.56 948 664 A 61 LEU HBx A 62 HIS H 1.0 1.8 4.56 949 665 A 62 HIS H A 61 LEU HD2% 1.0 1.8 4.99 950 665 A 61 LEU HD1% A 62 HIS H 1.0 1.8 4.99 951 666 A 66 ILE HB A 61 LEU HD2% 1.0 1.8 4.15 952 666 A 61 LEU HD1% A 66 ILE HB 1.0 1.8 4.15 953 667 A 66 ILE HG2% A 61 LEU HD2% 1.0 1.8 3.98 954 667 A 66 ILE HG2% A 61 LEU HD1% 1.0 1.8 3.98 955 668 A 68 PRO HA A 61 LEU HD2% 1.0 1.8 5.44 956 668 A 61 LEU HD1% A 68 PRO HA 1.0 1.8 5.44 957 669 A 61 LEU HD1% A 68 PRO HDy 1.0 1.8 4.45 958 669 A 61 LEU HD1% A 68 PRO HDx 1.0 1.8 4.45 959 670 A 61 LEU HD1% A 68 PRO HGy 1.0 1.8 4.58 960 670 A 61 LEU HD1% A 68 PRO HGx 1.0 1.8 4.58 961 671 A 67 TYR HD% A 61 LEU HD2% 1.0 1.8 6.50 962 672 A 68 PRO HDy A 61 LEU HD2% 1.0 1.8 4.45 963 672 A 61 LEU HD2% A 68 PRO HDx 1.0 1.8 4.45 964 673 A 68 PRO HGy A 61 LEU HD2% 1.0 1.8 4.58 965 673 A 61 LEU HD2% A 68 PRO HGx 1.0 1.8 4.58 966 674 A 61 LEU HG A 68 PRO HDx 1.0 1.8 5.18 967 674 A 61 LEU HG A 68 PRO HDy 1.0 1.8 5.18 968 675 A 61 LEU H A 61 LEU HBy 1.0 1.8 4.07 969 676 A 61 LEU HBx A 61 LEU H 1.0 1.8 4.07 970 677 A 61 LEU H A 61 LEU HD2% 1.0 1.8 4.16 971 677 A 61 LEU HD1% A 61 LEU H 1.0 1.8 4.16 972 678 A 61 LEU HD1% A 61 LEU H 1.0 1.8 5.50 973 679 A 61 LEU H A 61 LEU HD2% 1.0 1.8 5.50 974 680 A 61 LEU H A 61 LEU HG 1.0 1.8 4.60 975 681 A 61 LEU H A 62 HIS H 1.0 1.8 3.78 976 682 A 62 HIS HA A 65 ASN H 1.0 1.8 4.25 977 683 A 63 LYS H A 62 HIS HBx 1.0 1.8 3.39 978 683 A 62 HIS HBy A 63 LYS H 1.0 1.8 3.39 979 684 A 62 HIS H A 62 HIS HBy 1.0 1.8 3.54 980 685 A 62 HIS H A 62 HIS HBx 1.0 1.8 3.54 981 686 A 62 HIS H A 63 LYS H 1.0 1.8 3.63 982 687 A 63 LYS HA A 63 LYS HGy 1.0 1.8 3.86 983 688 A 63 LYS HGx A 63 LYS HA 1.0 1.8 3.86 984 689 A 63 LYS HBx A 63 LYS HDx 1.0 1.8 3.68 985 689 A 63 LYS HBy A 63 LYS HDx 1.0 1.8 3.68 986 689 A 63 LYS HDy A 63 LYS HBx 1.0 1.8 3.68 987 689 A 63 LYS HBy A 63 LYS HDy 1.0 1.8 3.68 988 690 A 64 SER H A 63 LYS HBx 1.0 1.8 3.72 989 690 A 63 LYS HBy A 64 SER H 1.0 1.8 3.72 990 691 A 63 LYS HEx A 63 LYS HGy 1.0 1.8 3.42 991 691 A 63 LYS HEy A 63 LYS HGy 1.0 1.8 3.42 992 691 A 63 LYS HGx A 63 LYS HEx 1.0 1.8 3.42 993 691 A 63 LYS HGx A 63 LYS HEy 1.0 1.8 3.42 994 692 A 63 LYS H A 63 LYS HBx 1.0 1.8 2.97 995 692 A 63 LYS H A 63 LYS HBy 1.0 1.8 2.97 996 693 A 63 LYS H A 63 LYS HGy 1.0 1.8 4.03 997 693 A 63 LYS H A 63 LYS HGx 1.0 1.8 4.03 998 694 A 63 LYS H A 64 SER H 1.0 1.8 3.51 999 695 A 65 ASN H A 64 SER HBx 1.0 1.8 4.24 1000 695 A 65 ASN H A 64 SER HBy 1.0 1.8 4.24 1001 696 A 66 ILE HD1% A 64 SER HBx 1.0 1.8 4.01 1002 696 A 64 SER HBy A 66 ILE HD1% 1.0 1.8 4.01 1003 697 A 64 SER HBy A 66 ILE HG1x 1.0 1.8 3.70 1004 697 A 64 SER HBx A 66 ILE HG1x 1.0 1.8 3.70 1005 697 A 66 ILE HG1y A 64 SER HBx 1.0 1.8 3.70 1006 697 A 64 SER HBy A 66 ILE HG1y 1.0 1.8 3.70 1007 698 A 66 ILE H A 64 SER HBx 1.0 1.8 3.92 1008 698 A 64 SER HBy A 66 ILE H 1.0 1.8 3.92 1009 699 A 64 SER H A 64 SER HBx 1.0 1.8 3.31 1010 699 A 64 SER H A 64 SER HBy 1.0 1.8 3.31 1011 700 A 65 ASN H A 64 SER H 1.0 1.8 3.33 1012 701 A 66 ILE H A 65 ASN HA 1.0 1.8 3.53 1013 702 A 65 ASN HA A 67 TYR HE% 1.0 1.8 4.51 1014 703 A 65 ASN HBx A 65 ASN HD21 1.0 1.8 3.21 1015 703 A 65 ASN HBy A 65 ASN HD21 1.0 1.8 3.21 1016 703 A 65 ASN HD22 A 65 ASN HBy 1.0 1.8 3.21 1017 703 A 65 ASN HBx A 65 ASN HD22 1.0 1.8 3.21 1018 704 A 85 GLU HA A 65 ASN HBy 1.0 1.8 3.54 1019 704 A 65 ASN HBx A 85 GLU HA 1.0 1.8 3.54 1020 705 A 65 ASN HBx A 85 GLU HBx 1.0 1.8 4.00 1021 705 A 65 ASN HBy A 85 GLU HBx 1.0 1.8 4.00 1022 705 A 85 GLU HBy A 65 ASN HBy 1.0 1.8 4.00 1023 705 A 65 ASN HBx A 85 GLU HBy 1.0 1.8 4.00 1024 706 A 85 GLU H A 65 ASN HBy 1.0 1.8 4.55 1025 706 A 65 ASN HBx A 85 GLU H 1.0 1.8 4.55 1026 707 A 66 ILE H A 65 ASN HBy 1.0 1.8 5.50 1027 708 A 66 ILE H A 65 ASN HBx 1.0 1.8 5.50 1028 709 A 65 ASN H A 65 ASN HBy 1.0 1.8 3.70 1029 709 A 65 ASN H A 65 ASN HBx 1.0 1.8 3.70 1030 710 A 65 ASN H A 66 ILE H 1.0 1.8 3.61 1031 711 A 66 ILE HD1% A 66 ILE HA 1.0 1.8 3.84 1032 712 A 66 ILE HA A 67 TYR H 1.0 1.8 3.41 1033 713 A 66 ILE HB A 67 TYR H 1.0 1.8 4.29 1034 714 A 66 ILE HB A 68 PRO HDx 1.0 1.8 4.57 1035 714 A 66 ILE HB A 68 PRO HDy 1.0 1.8 4.57 1036 715 A 66 ILE HD1% A 84 ASP HA 1.0 1.8 3.81 1037 716 A 66 ILE HG2% A 66 ILE HD1% 1.0 1.8 3.21 1038 717 A 66 ILE HG2% A 67 TYR H 1.0 1.8 4.09 1039 718 A 66 ILE HG2% A 68 PRO HDx 1.0 1.8 4.48 1040 718 A 66 ILE HG2% A 68 PRO HDy 1.0 1.8 4.48 1041 719 A 66 ILE HG2% A 68 PRO HGx 1.0 1.8 5.29 1042 719 A 66 ILE HG2% A 68 PRO HGy 1.0 1.8 5.29 1043 720 A 66 ILE HG2% A 82 PHE HBx 1.0 1.8 3.80 1044 720 A 66 ILE HG2% A 82 PHE HBy 1.0 1.8 3.80 1045 721 A 66 ILE HG2% A 82 PHE HD% 1.0 1.8 5.00 1046 722 A 66 ILE HG2% A 84 ASP HA 1.0 1.8 5.04 1047 723 A 66 ILE HB A 66 ILE H 1.0 1.8 3.41 1048 724 A 66 ILE HD1% A 66 ILE H 1.0 1.8 4.29 1049 725 A 66 ILE H A 66 ILE HG1x 1.0 1.8 3.73 1050 725 A 66 ILE HG1y A 66 ILE H 1.0 1.8 3.73 1051 726 A 66 ILE HG2% A 66 ILE H 1.0 1.8 4.21 1052 727 A 67 TYR HD% A 67 TYR HA 1.0 1.8 4.14 1053 728 A 83 ILE HB A 67 TYR HBx 1.0 1.8 3.67 1054 728 A 67 TYR HBy A 83 ILE HB 1.0 1.8 3.67 1055 729 A 83 ILE HD1% A 67 TYR HBx 1.0 1.8 3.51 1056 729 A 67 TYR HBy A 83 ILE HD1% 1.0 1.8 3.51 1057 730 A 67 TYR HBx A 83 ILE HG1x 1.0 1.8 5.08 1058 730 A 67 TYR HBy A 83 ILE HG1x 1.0 1.8 5.08 1059 730 A 83 ILE HG1y A 67 TYR HBx 1.0 1.8 5.08 1060 730 A 67 TYR HBy A 83 ILE HG1y 1.0 1.8 5.08 1061 731 A 83 ILE HG2% A 67 TYR HBx 1.0 1.8 4.00 1062 731 A 67 TYR HBy A 83 ILE HG2% 1.0 1.8 4.00 1063 732 A 83 ILE H A 67 TYR HBx 1.0 1.8 4.30 1064 732 A 67 TYR HBy A 83 ILE H 1.0 1.8 4.30 1065 733 A 67 TYR HD% A 83 ILE HB 1.0 1.8 4.19 1066 734 A 67 TYR HD% A 83 ILE HD1% 1.0 1.8 4.42 1067 735 A 67 TYR HD% A 83 ILE HG2% 1.0 1.8 3.97 1068 736 A 67 TYR HD% A 67 TYR H 1.0 1.8 4.32 1069 737 A 67 TYR H A 83 ILE HB 1.0 1.8 4.00 1070 738 A 68 PRO HA A 69 PHE H 1.0 1.8 3.52 1071 739 A 68 PRO HA A 82 PHE HA 1.0 1.8 3.74 1072 740 A 82 PHE HBy A 68 PRO HA 1.0 1.8 4.25 1073 741 A 68 PRO HA A 82 PHE HBx 1.0 1.8 4.25 1074 742 A 82 PHE HD% A 68 PRO HA 1.0 1.8 5.46 1075 743 A 69 PHE HA A 69 PHE HD% 1.0 1.8 4.79 1076 744 A 69 PHE HA A 70 ILE H 1.0 1.8 3.47 1077 745 A 71 LEU HD2% A 69 PHE HA 1.0 1.8 5.48 1078 746 A 70 ILE H A 69 PHE HBx 1.0 1.8 3.66 1079 746 A 70 ILE H A 69 PHE HBy 1.0 1.8 3.66 1080 747 A 71 LEU HD2% A 69 PHE HBx 1.0 1.8 3.93 1081 747 A 71 LEU HD2% A 69 PHE HBy 1.0 1.8 3.93 1082 748 A 70 ILE H A 69 PHE HD% 1.0 1.8 4.20 1083 749 A 71 LEU HD1% A 69 PHE HD% 1.0 1.8 4.52 1084 750 A 71 LEU HD2% A 69 PHE HD% 1.0 1.8 3.64 1085 751 A 71 LEU HG A 69 PHE HD% 1.0 1.8 4.00 1086 752 A 71 LEU HD1% A 69 PHE HE% 1.0 1.8 4.62 1087 753 A 83 ILE HD1% A 69 PHE HE% 1.0 1.8 5.00 1088 754 A 69 PHE HE% A 83 ILE HG1x 1.0 1.8 5.00 1089 754 A 83 ILE HG1y A 69 PHE HE% 1.0 1.8 5.00 1090 755 A 69 PHE H A 69 PHE HD% 1.0 1.8 4.34 1091 756 A 69 PHE H A 81 GLY H 1.0 1.8 4.59 1092 757 A 69 PHE H A 82 PHE HA 1.0 1.8 3.99 1093 758 A 69 PHE H A 82 PHE HBx 1.0 1.8 4.69 1094 758 A 82 PHE HBy A 69 PHE H 1.0 1.8 4.69 1095 759 A 70 ILE HD1% A 70 ILE HA 1.0 1.8 4.08 1096 760 A 70 ILE HG2% A 70 ILE HA 1.0 1.8 3.48 1097 761 A 70 ILE HA A 71 LEU H 1.0 1.8 3.49 1098 762 A 70 ILE HD1% A 70 ILE HB 1.0 1.8 3.70 1099 763 A 70 ILE HB A 72 TYR HE% 1.0 1.8 4.70 1100 764 A 70 ILE HD1% A 72 TYR HE% 1.0 1.8 5.00 1101 765 A 70 ILE HD1% A 70 ILE HG2% 1.0 1.8 3.09 1102 766 A 70 ILE HG2% A 70 ILE HG1y 1.0 1.8 3.57 1103 766 A 70 ILE HG2% A 70 ILE HG1x 1.0 1.8 3.57 1104 767 A 70 ILE HG2% A 71 LEU H 1.0 1.8 3.75 1105 768 A 70 ILE HG2% A 72 TYR HD% 1.0 1.8 4.02 1106 769 A 70 ILE HG2% A 72 TYR HE% 1.0 1.8 4.26 1107 770 A 70 ILE HG2% A 77 LEU HD1% 1.0 1.8 3.48 1108 771 A 70 ILE HG2% A 77 LEU HD2% 1.0 1.8 4.75 1109 772 A 70 ILE HG2% A 78 ILE H 1.0 1.8 4.59 1110 773 A 70 ILE HG2% A 79 ALA H 1.0 1.8 4.62 1111 774 A 70 ILE HB A 70 ILE H 1.0 1.8 3.94 1112 775 A 70 ILE H A 70 ILE HG1y 1.0 1.8 4.04 1113 775 A 70 ILE HG1x A 70 ILE H 1.0 1.8 4.04 1114 776 A 70 ILE H A 71 LEU H 1.0 1.8 4.55 1115 777 A 71 LEU HD1% A 71 LEU HA 1.0 1.8 4.15 1116 778 A 71 LEU HD2% A 71 LEU HA 1.0 1.8 3.50 1117 779 A 72 TYR H A 71 LEU HA 1.0 1.8 3.28 1118 780 A 78 ILE HB A 71 LEU HBy 1.0 1.8 4.45 1119 780 A 78 ILE HB A 71 LEU HBx 1.0 1.8 4.45 1120 781 A 78 ILE HG2% A 71 LEU HBy 1.0 1.8 3.77 1121 781 A 78 ILE HG2% A 71 LEU HBx 1.0 1.8 3.77 1122 782 A 79 ALA HB% A 71 LEU HBy 1.0 1.8 3.88 1123 782 A 79 ALA HB% A 71 LEU HBx 1.0 1.8 3.88 1124 783 A 79 ALA H A 71 LEU HBy 1.0 1.8 4.54 1125 783 A 79 ALA H A 71 LEU HBx 1.0 1.8 4.54 1126 784 A 71 LEU HD1% A 71 LEU HBy 1.0 1.8 3.84 1127 785 A 71 LEU HD1% A 71 LEU HBx 1.0 1.8 3.84 1128 786 A 71 LEU HD1% A 78 ILE HB 1.0 1.8 5.00 1129 787 A 71 LEU HD1% A 79 ALA HA 1.0 1.8 5.00 1130 788 A 71 LEU HD1% A 79 ALA HB% 1.0 1.8 3.80 1131 789 A 71 LEU HD1% A 79 ALA H 1.0 1.8 4.80 1132 790 A 71 LEU HG A 79 ALA HB% 1.0 1.8 4.35 1133 791 A 71 LEU HG A 80 ILE HA 1.0 1.8 5.44 1134 792 A 71 LEU HD2% A 71 LEU H 1.0 1.8 4.26 1135 793 A 71 LEU HG A 71 LEU H 1.0 1.8 3.86 1136 794 A 77 LEU HD1% A 71 LEU H 1.0 1.8 5.00 1137 795 A 79 ALA HB% A 71 LEU H 1.0 1.8 4.27 1138 796 A 71 LEU H A 79 ALA H 1.0 1.8 3.88 1139 797 A 72 TYR HD% A 72 TYR HA 1.0 1.8 4.10 1140 798 A 72 TYR HA A 73 TYR H 1.0 1.8 3.47 1141 799 A 72 TYR HA A 77 LEU HA 1.0 1.8 4.10 1142 800 A 78 ILE HB A 72 TYR HA 1.0 1.8 4.67 1143 801 A 78 ILE HD1% A 72 TYR HA 1.0 1.8 5.47 1144 802 A 72 TYR HA A 78 ILE HG1x 1.0 1.8 4.23 1145 802 A 78 ILE HG1y A 72 TYR HA 1.0 1.8 4.23 1146 803 A 78 ILE H A 72 TYR HA 1.0 1.8 3.99 1147 804 A 73 TYR H A 72 TYR HBx 1.0 1.8 4.48 1148 804 A 73 TYR H A 72 TYR HBy 1.0 1.8 4.48 1149 805 A 76 GLN H A 72 TYR HBx 1.0 1.8 5.70 1150 805 A 72 TYR HBy A 76 GLN H 1.0 1.8 5.70 1151 806 A 72 TYR HD% A 73 TYR H 1.0 1.8 4.60 1152 807 A 72 TYR HD% A 77 LEU HA 1.0 1.8 4.25 1153 808 A 72 TYR H A 72 TYR HBx 1.0 1.8 3.58 1154 808 A 72 TYR H A 72 TYR HBy 1.0 1.8 3.58 1155 809 A 72 TYR H A 72 TYR HD% 1.0 1.8 4.45 1156 810 A 73 TYR HD% A 73 TYR HA 1.0 1.8 3.56 1157 811 A 73 TYR HA A 74 GLN H 1.0 1.8 3.33 1158 812 A 78 ILE HD1% A 73 TYR HA 1.0 1.8 5.26 1159 813 A 74 GLN H A 73 TYR HBx 1.0 1.8 4.56 1160 813 A 74 GLN H A 73 TYR HBy 1.0 1.8 4.56 1161 814 A 78 ILE HD1% A 73 TYR HBx 1.0 1.8 3.80 1162 814 A 78 ILE HD1% A 73 TYR HBy 1.0 1.8 3.80 1163 815 A 73 TYR HBx A 78 ILE HG1x 1.0 1.8 4.48 1164 815 A 73 TYR HBy A 78 ILE HG1x 1.0 1.8 4.48 1165 815 A 78 ILE HG1y A 73 TYR HBx 1.0 1.8 4.48 1166 815 A 78 ILE HG1y A 73 TYR HBy 1.0 1.8 4.48 1167 816 A 78 ILE HG2% A 73 TYR HBx 1.0 1.8 4.45 1168 816 A 78 ILE HG2% A 73 TYR HBy 1.0 1.8 4.45 1169 817 A 97 THR HG2% A 73 TYR HBx 1.0 1.8 5.00 1170 817 A 97 THR HG2% A 73 TYR HBy 1.0 1.8 5.00 1171 818 A 73 TYR HD% A 74 GLN H 1.0 1.8 4.23 1172 819 A 78 ILE HD1% A 73 TYR HD% 1.0 1.8 4.46 1173 820 A 97 THR HG2% A 73 TYR HD% 1.0 1.8 4.43 1174 821 A 73 TYR HE% A 97 THR HG2% 1.0 1.8 4.45 1175 822 A 73 TYR H A 76 GLN H 1.0 1.8 5.00 1176 823 A 78 ILE HD1% A 73 TYR H 1.0 1.8 4.88 1177 824 A 73 TYR H A 78 ILE HG1x 1.0 1.8 4.80 1178 824 A 78 ILE HG1y A 73 TYR H 1.0 1.8 4.80 1179 825 A 78 ILE H A 73 TYR H 1.0 1.8 5.50 1180 826 A 74 GLN HA A 74 GLN HGx 1.0 1.8 3.25 1181 826 A 74 GLN HA A 74 GLN HGy 1.0 1.8 3.25 1182 827 A 75 LYS H A 74 GLN HBx 1.0 1.8 3.95 1183 827 A 74 GLN HBy A 75 LYS H 1.0 1.8 3.95 1184 828 A 74 GLN H A 74 GLN HGx 1.0 1.8 4.49 1185 828 A 74 GLN H A 74 GLN HGy 1.0 1.8 4.49 1186 829 A 74 GLN H A 75 LYS H 1.0 1.8 4.10 1187 830 A 75 LYS HA A 75 LYS HDx 1.0 1.8 4.52 1188 830 A 75 LYS HA A 75 LYS HDy 1.0 1.8 4.52 1189 831 A 75 LYS HA A 75 LYS HGy 1.0 1.8 4.01 1190 832 A 75 LYS HA A 75 LYS HGx 1.0 1.8 4.01 1191 833 A 75 LYS HBx A 75 LYS HDx 1.0 1.8 3.32 1192 833 A 75 LYS HBy A 75 LYS HDx 1.0 1.8 3.32 1193 833 A 75 LYS HDy A 75 LYS HBy 1.0 1.8 3.32 1194 833 A 75 LYS HDy A 75 LYS HBx 1.0 1.8 3.32 1195 834 A 75 LYS HBy A 75 LYS HEx 1.0 1.8 4.25 1196 834 A 75 LYS HBx A 75 LYS HEx 1.0 1.8 4.25 1197 834 A 75 LYS HEy A 75 LYS HBy 1.0 1.8 4.25 1198 834 A 75 LYS HBx A 75 LYS HEy 1.0 1.8 4.25 1199 835 A 76 GLN H A 75 LYS HBy 1.0 1.8 5.10 1200 836 A 76 GLN H A 75 LYS HBx 1.0 1.8 5.10 1201 837 A 75 LYS HEx A 75 LYS HGy 1.0 1.8 3.83 1202 837 A 75 LYS HEy A 75 LYS HGy 1.0 1.8 3.83 1203 838 A 75 LYS HGx A 75 LYS HEx 1.0 1.8 3.83 1204 838 A 75 LYS HEy A 75 LYS HGx 1.0 1.8 3.83 1205 839 A 75 LYS H A 75 LYS HGy 1.0 1.8 4.60 1206 839 A 75 LYS H A 75 LYS HGx 1.0 1.8 4.60 1207 840 A 76 GLN HA A 76 GLN HGx 1.0 1.8 3.68 1208 840 A 76 GLN HA A 76 GLN HGy 1.0 1.8 3.68 1209 841 A 76 GLN HA A 77 LEU H 1.0 1.8 3.42 1210 842 A 77 LEU H A 76 GLN HBx 1.0 1.8 4.17 1211 842 A 77 LEU H A 76 GLN HBy 1.0 1.8 4.17 1212 843 A 76 GLN HE2y A 76 GLN HGx 1.0 1.8 3.20 1213 843 A 76 GLN HE2x A 76 GLN HGx 1.0 1.8 3.20 1214 843 A 76 GLN HGy A 76 GLN HE2y 1.0 1.8 3.20 1215 843 A 76 GLN HGy A 76 GLN HE2x 1.0 1.8 3.20 1216 844 A 77 LEU H A 76 GLN HGx 1.0 1.8 4.01 1217 844 A 76 GLN HGy A 77 LEU H 1.0 1.8 4.01 1218 845 A 78 ILE HD1% A 76 GLN HGx 1.0 1.8 5.60 1219 845 A 78 ILE HD1% A 76 GLN HGy 1.0 1.8 5.60 1220 846 A 76 GLN H A 76 GLN HBx 1.0 1.8 3.36 1221 846 A 76 GLN H A 76 GLN HBy 1.0 1.8 3.36 1222 847 A 76 GLN H A 76 GLN HGx 1.0 1.8 4.30 1223 847 A 76 GLN H A 76 GLN HGy 1.0 1.8 4.30 1224 848 A 77 LEU HD1% A 77 LEU HA 1.0 1.8 4.00 1225 849 A 77 LEU HD2% A 77 LEU HA 1.0 1.8 4.56 1226 850 A 78 ILE H A 77 LEU HA 1.0 1.8 3.45 1227 851 A 79 ALA H A 77 LEU HA 1.0 1.8 4.40 1228 852 A 77 LEU HD1% A 77 LEU HBy 1.0 1.8 3.61 1229 853 A 77 LEU HD2% A 77 LEU HBy 1.0 1.8 3.63 1230 854 A 77 LEU HBx A 77 LEU HD1% 1.0 1.8 3.61 1231 855 A 77 LEU HBx A 77 LEU HD2% 1.0 1.8 3.63 1232 856 A 77 LEU HD1% A 78 ILE H 1.0 1.8 3.48 1233 857 A 77 LEU HD1% A 79 ALA H 1.0 1.8 3.85 1234 858 A 77 LEU HD1% A 80 ILE HG1x 1.0 1.8 5.00 1235 858 A 77 LEU HD1% A 80 ILE HG1y 1.0 1.8 5.00 1236 859 A 77 LEU HD1% A 80 ILE HG2% 1.0 1.8 5.00 1237 860 A 77 LEU HD1% A 80 ILE H 1.0 1.8 5.23 1238 861 A 80 ILE HD1% A 77 LEU HD2% 1.0 1.8 4.30 1239 862 A 77 LEU H A 77 LEU HBy 1.0 1.8 3.93 1240 863 A 77 LEU HBx A 77 LEU H 1.0 1.8 3.93 1241 864 A 77 LEU HD2% A 77 LEU H 1.0 1.8 4.42 1242 865 A 78 ILE HD1% A 78 ILE HA 1.0 1.8 3.29 1243 866 A 78 ILE HG2% A 78 ILE HA 1.0 1.8 3.76 1244 867 A 78 ILE HA A 95 HIS HBx 1.0 1.8 4.16 1245 867 A 78 ILE HA A 95 HIS HBy 1.0 1.8 4.16 1246 868 A 78 ILE HB A 79 ALA H 1.0 1.8 3.57 1247 869 A 78 ILE HD1% A 78 ILE HG2% 1.0 1.8 3.13 1248 870 A 78 ILE HG2% A 78 ILE HG1x 1.0 1.8 3.32 1249 870 A 78 ILE HG2% A 78 ILE HG1y 1.0 1.8 3.32 1250 871 A 78 ILE HG2% A 79 ALA H 1.0 1.8 4.14 1251 872 A 94 LEU HD1% A 78 ILE HG2% 1.0 1.8 3.76 1252 873 A 78 ILE HG2% A 95 HIS HBx 1.0 1.8 4.39 1253 873 A 78 ILE HG2% A 95 HIS HBy 1.0 1.8 4.39 1254 874 A 78 ILE HB A 78 ILE H 1.0 1.8 3.93 1255 875 A 78 ILE HD1% A 78 ILE H 1.0 1.8 4.51 1256 876 A 78 ILE HG2% A 78 ILE H 1.0 1.8 4.24 1257 877 A 78 ILE H A 79 ALA H 1.0 1.8 3.54 1258 878 A 79 ALA HA A 80 ILE H 1.0 1.8 3.47 1259 879 A 79 ALA HA A 94 LEU HA 1.0 1.8 3.83 1260 880 A 79 ALA HA A 94 LEU HBy 1.0 1.8 5.28 1261 880 A 79 ALA HA A 94 LEU HBx 1.0 1.8 5.28 1262 881 A 94 LEU HD1% A 79 ALA HA 1.0 1.8 4.54 1263 882 A 79 ALA HB% A 80 ILE H 1.0 1.8 3.66 1264 883 A 79 ALA HB% A 91 PHE HD% 1.0 1.8 3.69 1265 884 A 79 ALA HB% A 94 LEU HA 1.0 1.8 3.87 1266 885 A 79 ALA HB% A 94 LEU HD1% 1.0 1.8 3.28 1267 886 A 79 ALA HB% A 94 LEU HD2% 1.0 1.8 4.53 1268 887 A 80 ILE HD1% A 80 ILE HA 1.0 1.8 4.48 1269 888 A 80 ILE HG2% A 80 ILE HA 1.0 1.8 3.50 1270 889 A 81 GLY H A 80 ILE HA 1.0 1.8 3.28 1271 890 A 80 ILE HD1% A 80 ILE HB 1.0 1.8 3.50 1272 891 A 80 ILE HB A 92 LEU HBx 1.0 1.8 4.74 1273 891 A 80 ILE HB A 92 LEU HBy 1.0 1.8 4.74 1274 892 A 80 ILE HB A 93 TYR HBy 1.0 1.8 5.03 1275 892 A 80 ILE HB A 93 TYR HBx 1.0 1.8 5.03 1276 893 A 80 ILE HD1% A 92 LEU HD2% 1.0 1.8 5.00 1277 893 A 80 ILE HD1% A 92 LEU HD1% 1.0 1.8 5.00 1278 894 A 80 ILE HD1% A 93 TYR HA 1.0 1.8 4.98 1279 895 A 80 ILE HD1% A 93 TYR HBy 1.0 1.8 4.06 1280 896 A 80 ILE HD1% A 93 TYR HBx 1.0 1.8 4.06 1281 897 A 80 ILE HD1% A 108 LEU HD1% 1.0 1.8 5.00 1282 898 A 81 GLY H A 80 ILE HG1x 1.0 1.8 4.69 1283 898 A 80 ILE HG1y A 81 GLY H 1.0 1.8 4.69 1284 899 A 80 ILE HG1y A 92 LEU HD2% 1.0 1.8 5.34 1285 899 A 80 ILE HG1x A 92 LEU HD2% 1.0 1.8 5.34 1286 899 A 92 LEU HD1% A 80 ILE HG1x 1.0 1.8 5.34 1287 899 A 80 ILE HG1y A 92 LEU HD1% 1.0 1.8 5.34 1288 900 A 93 TYR H A 80 ILE HG1x 1.0 1.8 4.74 1289 900 A 80 ILE HG1y A 93 TYR H 1.0 1.8 4.74 1290 901 A 80 ILE HD1% A 80 ILE HG2% 1.0 1.8 3.21 1291 902 A 80 ILE HG2% A 81 GLY H 1.0 1.8 4.80 1292 903 A 80 ILE HG2% A 92 LEU HD2% 1.0 1.8 5.00 1293 903 A 80 ILE HG2% A 92 LEU HD1% 1.0 1.8 5.00 1294 904 A 80 ILE HG2% A 93 TYR HBy 1.0 1.8 6.00 1295 904 A 80 ILE HG2% A 93 TYR HBx 1.0 1.8 6.00 1296 905 A 80 ILE HG2% A 108 LEU HD1% 1.0 1.8 5.50 1297 906 A 80 ILE HD1% A 80 ILE H 1.0 1.8 4.22 1298 907 A 80 ILE H A 80 ILE HG1x 1.0 1.8 4.16 1299 907 A 80 ILE HG1y A 80 ILE H 1.0 1.8 4.16 1300 908 A 80 ILE HG2% A 80 ILE H 1.0 1.8 4.32 1301 909 A 91 PHE HD% A 80 ILE H 1.0 1.8 5.20 1302 910 A 80 ILE H A 93 TYR HBy 1.0 1.8 4.50 1303 910 A 80 ILE H A 93 TYR HBx 1.0 1.8 4.50 1304 911 A 80 ILE H A 93 TYR H 1.0 1.8 4.08 1305 912 A 82 PHE H A 81 GLY HAy 1.0 1.8 3.52 1306 912 A 81 GLY HAx A 82 PHE H 1.0 1.8 3.52 1307 913 A 91 PHE HD% A 81 GLY HAy 1.0 1.8 5.00 1308 913 A 91 PHE HD% A 81 GLY HAx 1.0 1.8 5.00 1309 914 A 81 GLY HAx A 92 LEU HD2% 1.0 1.8 5.00 1310 914 A 81 GLY HAy A 92 LEU HD2% 1.0 1.8 5.00 1311 914 A 92 LEU HD1% A 81 GLY HAy 1.0 1.8 5.00 1312 914 A 92 LEU HD1% A 81 GLY HAx 1.0 1.8 5.00 1313 915 A 92 LEU H A 81 GLY HAy 1.0 1.8 5.00 1314 915 A 81 GLY HAx A 92 LEU H 1.0 1.8 5.00 1315 916 A 91 PHE HA A 81 GLY HAy 1.0 1.8 4.24 1316 917 A 81 GLY HAx A 91 PHE HA 1.0 1.8 4.24 1317 918 A 82 PHE HBy A 83 ILE H 1.0 1.8 4.40 1318 919 A 83 ILE H A 82 PHE HBx 1.0 1.8 4.40 1319 920 A 82 PHE HD% A 83 ILE H 1.0 1.8 4.42 1320 921 A 82 PHE HD% A 82 PHE H 1.0 1.8 3.90 1321 922 A 82 PHE H A 90 ASP HBx 1.0 1.8 4.37 1322 922 A 82 PHE H A 90 ASP HBy 1.0 1.8 4.37 1323 923 A 82 PHE H A 90 ASP H 1.0 1.8 3.82 1324 924 A 83 ILE HD1% A 83 ILE HA 1.0 1.8 3.94 1325 925 A 83 ILE HG2% A 83 ILE HA 1.0 1.8 3.47 1326 926 A 83 ILE HA A 89 MET HA 1.0 1.8 5.00 1327 927 A 83 ILE HB A 83 ILE HD1% 1.0 1.8 3.40 1328 928 A 83 ILE HD1% A 87 HIS HA 1.0 1.8 4.83 1329 929 A 89 MET HE% A 83 ILE HD1% 1.0 1.8 3.68 1330 930 A 83 ILE HD1% A 89 MET HGy 1.0 1.8 4.87 1331 931 A 83 ILE HD1% A 89 MET HGx 1.0 1.8 4.87 1332 932 A 89 MET HE% A 83 ILE HG1x 1.0 1.8 3.84 1333 932 A 89 MET HE% A 83 ILE HG1y 1.0 1.8 3.84 1334 933 A 83 ILE HD1% A 83 ILE HG2% 1.0 1.8 3.09 1335 934 A 83 ILE HG2% A 84 ASP H 1.0 1.8 3.42 1336 935 A 83 ILE HG2% A 87 HIS HA 1.0 1.8 3.13 1337 936 A 83 ILE HG2% A 87 HIS HBx 1.0 1.8 4.60 1338 936 A 83 ILE HG2% A 87 HIS HBy 1.0 1.8 4.60 1339 937 A 83 ILE HG2% A 87 HIS H 1.0 1.8 4.65 1340 938 A 83 ILE HG2% A 88 ASP H 1.0 1.8 5.00 1341 939 A 83 ILE HG2% A 89 MET HA 1.0 1.8 4.54 1342 940 A 83 ILE HB A 83 ILE H 1.0 1.8 4.08 1343 941 A 83 ILE HD1% A 83 ILE H 1.0 1.8 4.00 1344 942 A 83 ILE H A 83 ILE HG1x 1.0 1.8 4.10 1345 942 A 83 ILE HG1y A 83 ILE H 1.0 1.8 4.10 1346 943 A 83 ILE HG2% A 83 ILE H 1.0 1.8 4.66 1347 944 A 85 GLU H A 84 ASP HBx 1.0 1.8 3.69 1348 944 A 85 GLU H A 84 ASP HBy 1.0 1.8 3.69 1349 945 A 85 GLU HA A 85 GLU HGx 1.0 1.8 3.55 1350 945 A 85 GLU HA A 85 GLU HGy 1.0 1.8 3.55 1351 946 A 86 ASN H A 85 GLU HBx 1.0 1.8 4.60 1352 946 A 85 GLU HBy A 86 ASN H 1.0 1.8 4.60 1353 947 A 85 GLU H A 85 GLU HBx 1.0 1.8 3.72 1354 947 A 85 GLU HBy A 85 GLU H 1.0 1.8 3.72 1355 948 A 85 GLU H A 85 GLU HGx 1.0 1.8 4.74 1356 948 A 85 GLU H A 85 GLU HGy 1.0 1.8 4.74 1357 949 A 85 GLU H A 86 ASN H 1.0 1.8 4.40 1358 950 A 86 ASN HBx A 86 ASN HD21 1.0 1.8 3.22 1359 950 A 86 ASN HBy A 86 ASN HD21 1.0 1.8 3.22 1360 950 A 86 ASN HD22 A 86 ASN HBy 1.0 1.8 3.22 1361 950 A 86 ASN HBx A 86 ASN HD22 1.0 1.8 3.22 1362 951 A 87 HIS H A 86 ASN HBy 1.0 1.8 5.43 1363 952 A 87 HIS H A 86 ASN HBx 1.0 1.8 5.43 1364 953 A 86 ASN H A 86 ASN HBy 1.0 1.8 3.33 1365 953 A 86 ASN H A 86 ASN HBx 1.0 1.8 3.33 1366 954 A 87 HIS H A 86 ASN H 1.0 1.8 3.53 1367 955 A 87 HIS H A 88 ASP H 1.0 1.8 4.48 1368 956 A 88 ASP HA A 89 MET H 1.0 1.8 3.17 1369 957 A 89 MET H A 88 ASP HBx 1.0 1.8 4.45 1370 957 A 89 MET H A 88 ASP HBy 1.0 1.8 4.45 1371 958 A 88 ASP H A 88 ASP HBx 1.0 1.8 3.18 1372 958 A 88 ASP H A 88 ASP HBy 1.0 1.8 3.18 1373 959 A 88 ASP H A 89 MET H 1.0 1.8 4.70 1374 960 A 89 MET HE% A 89 MET HA 1.0 1.8 5.28 1375 961 A 89 MET HA A 89 MET HGy 1.0 1.8 4.16 1376 962 A 89 MET HA A 89 MET HGx 1.0 1.8 4.16 1377 963 A 90 ASP H A 89 MET HA 1.0 1.8 3.46 1378 964 A 89 MET HE% A 89 MET HBx 1.0 1.8 4.00 1379 964 A 89 MET HE% A 89 MET HBy 1.0 1.8 4.00 1380 965 A 89 MET HE% A 89 MET HGx 1.0 1.8 2.98 1381 965 A 89 MET HE% A 89 MET HGy 1.0 1.8 2.98 1382 966 A 89 MET H A 89 MET HBx 1.0 1.8 3.41 1383 966 A 89 MET H A 89 MET HBy 1.0 1.8 3.41 1384 967 A 89 MET H A 89 MET HGx 1.0 1.8 4.05 1385 967 A 89 MET H A 89 MET HGy 1.0 1.8 4.05 1386 968 A 90 ASP HA A 91 PHE H 1.0 1.8 3.16 1387 969 A 91 PHE H A 90 ASP HBx 1.0 1.8 4.16 1388 969 A 90 ASP HBy A 91 PHE H 1.0 1.8 4.16 1389 970 A 90 ASP H A 90 ASP HBx 1.0 1.8 3.55 1390 970 A 90 ASP HBy A 90 ASP H 1.0 1.8 3.55 1391 971 A 91 PHE HD% A 91 PHE HA 1.0 1.8 4.22 1392 972 A 92 LEU H A 91 PHE HBx 1.0 1.8 4.54 1393 972 A 92 LEU H A 91 PHE HBy 1.0 1.8 4.54 1394 973 A 93 TYR H A 91 PHE HBx 1.0 1.8 4.43 1395 973 A 93 TYR H A 91 PHE HBy 1.0 1.8 4.43 1396 974 A 91 PHE HBy A 102 LEU HD2% 1.0 1.8 5.00 1397 974 A 91 PHE HBx A 102 LEU HD2% 1.0 1.8 5.00 1398 974 A 102 LEU HD1% A 91 PHE HBx 1.0 1.8 5.00 1399 974 A 91 PHE HBy A 102 LEU HD1% 1.0 1.8 5.00 1400 975 A 91 PHE HD% A 94 LEU HD2% 1.0 1.8 5.00 1401 976 A 91 PHE HD% A 102 LEU HD1% 1.0 1.8 5.00 1402 977 A 94 LEU HD1% A 91 PHE HE% 1.0 1.8 5.00 1403 978 A 91 PHE H A 91 PHE HBx 1.0 1.8 3.60 1404 978 A 91 PHE H A 91 PHE HBy 1.0 1.8 3.60 1405 979 A 91 PHE HD% A 91 PHE H 1.0 1.8 3.67 1406 980 A 92 LEU HD1% A 92 LEU HA 1.0 1.8 4.25 1407 981 A 92 LEU HA A 92 LEU HD2% 1.0 1.8 4.25 1408 982 A 92 LEU HA A 92 LEU HG 1.0 1.8 4.04 1409 983 A 92 LEU HD1% A 92 LEU HBx 1.0 1.8 3.41 1410 983 A 92 LEU HD1% A 92 LEU HBy 1.0 1.8 3.41 1411 984 A 92 LEU HBy A 92 LEU HD2% 1.0 1.8 3.41 1412 984 A 92 LEU HBx A 92 LEU HD2% 1.0 1.8 3.41 1413 985 A 93 TYR H A 92 LEU HBx 1.0 1.8 3.89 1414 985 A 92 LEU HBy A 93 TYR H 1.0 1.8 3.89 1415 986 A 92 LEU HD2% A 107 LEU HBy 1.0 1.8 5.30 1416 986 A 92 LEU HD1% A 107 LEU HBy 1.0 1.8 5.30 1417 986 A 107 LEU HBx A 92 LEU HD2% 1.0 1.8 5.30 1418 986 A 92 LEU HD1% A 107 LEU HBx 1.0 1.8 5.30 1419 987 A 107 LEU HD2% A 92 LEU HD2% 1.0 1.8 5.00 1420 987 A 92 LEU HD1% A 107 LEU HD2% 1.0 1.8 5.00 1421 988 A 108 LEU HG A 92 LEU HD2% 1.0 1.8 4.71 1422 988 A 92 LEU HD1% A 108 LEU HG 1.0 1.8 4.71 1423 989 A 92 LEU HD1% A 92 LEU H 1.0 1.8 4.60 1424 990 A 92 LEU H A 92 LEU HD2% 1.0 1.8 4.60 1425 991 A 93 TYR H A 92 LEU H 1.0 1.8 4.00 1426 992 A 93 TYR HA A 93 TYR HDx 1.0 1.8 4.91 1427 993 A 93 TYR HA A 93 TYR HDy 1.0 1.8 4.91 1428 994 A 93 TYR HA A 94 LEU H 1.0 1.8 3.29 1429 995 A 93 TYR HA A 103 ASP HA 1.0 1.8 4.10 1430 996 A 93 TYR HDx A 103 ASP HA 1.0 1.8 5.00 1431 996 A 93 TYR HDy A 103 ASP HA 1.0 1.8 5.00 1432 997 A 103 ASP HA A 93 TYR HE% 1.0 1.8 5.00 1433 998 A 94 LEU HD1% A 94 LEU HA 1.0 1.8 3.25 1434 999 A 94 LEU HD2% A 94 LEU HA 1.0 1.8 4.39 1435 1000 A 94 LEU HA A 95 HIS H 1.0 1.8 3.44 1436 1001 A 101 LEU HD1% A 94 LEU HBy 1.0 1.8 4.74 1437 1001 A 101 LEU HD1% A 94 LEU HBx 1.0 1.8 4.74 1438 1002 A 94 LEU HBx A 102 LEU HBy 1.0 1.8 5.00 1439 1002 A 94 LEU HBy A 102 LEU HBy 1.0 1.8 5.00 1440 1002 A 102 LEU HBx A 94 LEU HBy 1.0 1.8 5.00 1441 1002 A 94 LEU HBx A 102 LEU HBx 1.0 1.8 5.00 1442 1003 A 102 LEU H A 94 LEU HBy 1.0 1.8 5.01 1443 1003 A 94 LEU HBx A 102 LEU H 1.0 1.8 5.01 1444 1004 A 94 LEU HD1% A 94 LEU HBy 1.0 1.8 4.05 1445 1005 A 94 LEU HD2% A 94 LEU HBy 1.0 1.8 3.83 1446 1006 A 95 HIS H A 94 LEU HBy 1.0 1.8 4.80 1447 1007 A 94 LEU HD1% A 94 LEU HBx 1.0 1.8 4.05 1448 1008 A 94 LEU HD2% A 94 LEU HBx 1.0 1.8 3.83 1449 1009 A 94 LEU HBx A 95 HIS H 1.0 1.8 4.80 1450 1010 A 94 LEU HD1% A 95 HIS H 1.0 1.8 4.33 1451 1011 A 94 LEU HD2% A 101 LEU HBy 1.0 1.8 4.31 1452 1011 A 94 LEU HD2% A 101 LEU HBx 1.0 1.8 4.31 1453 1012 A 101 LEU HD1% A 94 LEU HD2% 1.0 1.8 4.20 1454 1013 A 94 LEU HD2% A 102 LEU HD1% 1.0 1.8 5.00 1455 1014 A 95 HIS H A 94 LEU HG 1.0 1.8 4.99 1456 1015 A 94 LEU H A 94 LEU HBy 1.0 1.8 3.79 1457 1016 A 94 LEU HBx A 94 LEU H 1.0 1.8 3.79 1458 1017 A 94 LEU H A 102 LEU HBy 1.0 1.8 5.30 1459 1017 A 94 LEU H A 102 LEU HBx 1.0 1.8 5.30 1460 1018 A 94 LEU H A 102 LEU H 1.0 1.8 4.80 1461 1019 A 95 HIS HA A 96 ASN H 1.0 1.8 3.52 1462 1020 A 95 HIS HA A 100 PRO HA 1.0 1.8 3.50 1463 1021 A 95 HIS HA A 100 PRO HBx 1.0 1.8 4.60 1464 1021 A 95 HIS HA A 100 PRO HBy 1.0 1.8 4.60 1465 1022 A 95 HIS HA A 101 LEU H 1.0 1.8 4.70 1466 1023 A 95 HIS HD2 A 100 PRO HGx 1.0 1.8 5.30 1467 1023 A 95 HIS HD2 A 100 PRO HGy 1.0 1.8 5.30 1468 1024 A 95 HIS HE1 A 97 THR HA 1.0 1.8 5.00 1469 1025 A 95 HIS HE1 A 98 VAL HA 1.0 1.8 5.00 1470 1026 A 101 LEU HD1% A 96 ASN HBy 1.0 1.8 4.54 1471 1026 A 101 LEU HD1% A 96 ASN HBx 1.0 1.8 4.54 1472 1027 A 101 LEU HD2% A 96 ASN HBy 1.0 1.8 5.15 1473 1028 A 96 ASN HBx A 101 LEU HD2% 1.0 1.8 5.15 1474 1029 A 97 THR H A 96 ASN H 1.0 1.8 4.74 1475 1030 A 96 ASN H A 98 VAL H 1.0 1.8 5.50 1476 1031 A 96 ASN H A 99 MET H 1.0 1.8 5.00 1477 1032 A 96 ASN H A 100 PRO HA 1.0 1.8 4.21 1478 1033 A 101 LEU HD1% A 96 ASN H 1.0 1.8 5.50 1479 1034 A 96 ASN H A 101 LEU HG 1.0 1.8 4.62 1480 1035 A 97 THR HG2% A 97 THR HA 1.0 1.8 3.57 1481 1036 A 97 THR H A 97 THR HG2% 1.0 1.8 4.03 1482 1037 A 97 THR H A 98 VAL H 1.0 1.8 4.30 1483 1038 A 98 VAL HA A 98 VAL HG1% 1.0 1.8 3.23 1484 1039 A 98 VAL HA A 98 VAL HG2% 1.0 1.8 3.14 1485 1040 A 98 VAL HG1% A 99 MET HE% 1.0 1.8 4.27 1486 1041 A 99 MET H A 98 VAL HG1% 1.0 1.8 4.67 1487 1042 A 99 MET H A 98 VAL HG2% 1.0 1.8 4.14 1488 1043 A 98 VAL H A 98 VAL HB 1.0 1.8 3.78 1489 1044 A 98 VAL H A 98 VAL HG1% 1.0 1.8 4.10 1490 1045 A 98 VAL H A 98 VAL HG2% 1.0 1.8 3.86 1491 1046 A 98 VAL H A 99 MET H 1.0 1.8 3.25 1492 1047 A 99 MET HA A 100 PRO HDy 1.0 1.8 3.68 1493 1048 A 99 MET HA A 100 PRO HDx 1.0 1.8 3.68 1494 1049 A 101 LEU HD2% A 99 MET HE% 1.0 1.8 4.02 1495 1050 A 101 LEU HD2% A 99 MET HGx 1.0 1.8 4.09 1496 1050 A 101 LEU HD2% A 99 MET HGy 1.0 1.8 4.09 1497 1051 A 99 MET H A 99 MET HGx 1.0 1.8 4.40 1498 1051 A 99 MET H A 99 MET HGy 1.0 1.8 4.40 1499 1052 A 102 LEU H A 100 PRO HA 1.0 1.8 4.88 1500 1053 A 101 LEU HG A 101 LEU HA 1.0 1.8 4.19 1501 1054 A 101 LEU HD2% A 101 LEU HBy 1.0 1.8 3.28 1502 1054 A 101 LEU HBx A 101 LEU HD2% 1.0 1.8 3.28 1503 1055 A 102 LEU H A 101 LEU HBy 1.0 1.8 3.82 1504 1055 A 102 LEU H A 101 LEU HBx 1.0 1.8 3.82 1505 1056 A 101 LEU HD1% A 101 LEU HBy 1.0 1.8 3.44 1506 1057 A 101 LEU HD1% A 101 LEU HBx 1.0 1.8 3.44 1507 1058 A 102 LEU H A 101 LEU HG 1.0 1.8 4.90 1508 1059 A 101 LEU H A 101 LEU HG 1.0 1.8 4.31 1509 1060 A 102 LEU H A 101 LEU H 1.0 1.8 3.44 1510 1061 A 102 LEU HD1% A 102 LEU HA 1.0 1.8 3.90 1511 1062 A 102 LEU HA A 102 LEU HD2% 1.0 1.8 3.90 1512 1063 A 102 LEU HA A 102 LEU HG 1.0 1.8 3.61 1513 1064 A 102 LEU HA A 103 ASP H 1.0 1.8 3.50 1514 1065 A 102 LEU HBy A 102 LEU HD2% 1.0 1.8 3.86 1515 1065 A 102 LEU HBx A 102 LEU HD2% 1.0 1.8 3.86 1516 1066 A 102 LEU HD1% A 102 LEU HBy 1.0 1.8 3.80 1517 1067 A 103 ASP H A 102 LEU HBy 1.0 1.8 4.77 1518 1068 A 102 LEU HD1% A 102 LEU HBx 1.0 1.8 3.80 1519 1069 A 102 LEU HBx A 103 ASP H 1.0 1.8 4.77 1520 1070 A 102 LEU H A 102 LEU HBy 1.0 1.8 3.74 1521 1070 A 102 LEU HBx A 102 LEU H 1.0 1.8 3.74 1522 1071 A 102 LEU HD1% A 102 LEU H 1.0 1.8 4.60 1523 1072 A 102 LEU H A 103 ASP H 1.0 1.8 4.45 1524 1073 A 103 ASP HA A 104 GLN H 1.0 1.8 3.50 1525 1074 A 104 GLN HA A 104 GLN HGx 1.0 1.8 3.53 1526 1074 A 104 GLN HA A 104 GLN HGy 1.0 1.8 3.53 1527 1075 A 104 GLN HA A 106 TYR HD% 1.0 1.8 5.00 1528 1076 A 104 GLN HA A 106 TYR HE% 1.0 1.8 5.70 1529 1077 A 107 LEU HD1% A 104 GLN HBx 1.0 1.8 4.45 1530 1077 A 104 GLN HBy A 107 LEU HD1% 1.0 1.8 4.45 1531 1078 A 106 TYR HE% A 104 GLN HGx 1.0 1.8 5.00 1532 1078 A 104 GLN HGy A 106 TYR HE% 1.0 1.8 5.00 1533 1079 A 104 GLN H A 104 GLN HGx 1.0 1.8 4.24 1534 1079 A 104 GLN H A 104 GLN HGy 1.0 1.8 4.24 1535 1080 A 104 GLN H A 105 ARG H 1.0 1.8 4.60 1536 1081 A 108 LEU HD1% A 105 ARG HA 1.0 1.8 4.79 1537 1082 A 108 LEU HG A 105 ARG HA 1.0 1.8 5.00 1538 1083 A 105 ARG HA A 108 LEU H 1.0 1.8 4.41 1539 1084 A 105 ARG HBx A 108 LEU HBx 1.0 1.8 5.00 1540 1084 A 105 ARG HBy A 108 LEU HBx 1.0 1.8 5.00 1541 1084 A 108 LEU HBy A 105 ARG HBx 1.0 1.8 5.00 1542 1084 A 105 ARG HBy A 108 LEU HBy 1.0 1.8 5.00 1543 1085 A 105 ARG H A 105 ARG HBx 1.0 1.8 3.54 1544 1085 A 105 ARG H A 105 ARG HBy 1.0 1.8 3.54 1545 1086 A 105 ARG H A 106 TYR H 1.0 1.8 4.26 1546 1087 A 106 TYR HD% A 106 TYR HA 1.0 1.8 4.23 1547 1088 A 106 TYR H A 106 TYR HBx 1.0 1.8 3.66 1548 1088 A 106 TYR H A 106 TYR HBy 1.0 1.8 3.66 1549 1089 A 106 TYR HD% A 106 TYR H 1.0 1.8 3.74 1550 1090 A 106 TYR H A 107 LEU H 1.0 1.8 4.23 1551 1091 A 107 LEU HA A 107 LEU HD1% 1.0 1.8 4.30 1552 1092 A 107 LEU HA A 107 LEU HD2% 1.0 1.8 4.30 1553 1093 A 107 LEU HD2% A 107 LEU HBy 1.0 1.8 3.37 1554 1093 A 107 LEU HBx A 107 LEU HD2% 1.0 1.8 3.37 1555 1094 A 107 LEU HD1% A 107 LEU HBy 1.0 1.8 3.68 1556 1095 A 107 LEU HBx A 107 LEU HD1% 1.0 1.8 3.68 1557 1096 A 107 LEU HD1% A 107 LEU H 1.0 1.8 4.40 1558 1097 A 107 LEU HD2% A 107 LEU H 1.0 1.8 4.40 1559 1098 A 107 LEU H A 107 LEU HG 1.0 1.8 4.70 1560 1099 A 108 LEU H A 107 LEU H 1.0 1.8 3.74 1561 1100 A 108 LEU HD1% A 108 LEU HA 1.0 1.8 4.39 1562 1101 A 108 LEU HD2% A 108 LEU HA 1.0 1.8 3.12 1563 1102 A 108 LEU HG A 108 LEU HA 1.0 1.8 4.11 1564 1103 A 108 LEU HD1% A 108 LEU HBx 1.0 1.8 3.30 1565 1103 A 108 LEU HD1% A 108 LEU HBy 1.0 1.8 3.30 1566 1104 A 108 LEU HD2% A 108 LEU HBx 1.0 1.8 3.55 1567 1104 A 108 LEU HD2% A 108 LEU HBy 1.0 1.8 3.55 1568 1105 A 108 LEU H A 108 LEU HBx 1.0 1.8 3.86 1569 1105 A 108 LEU H A 108 LEU HBy 1.0 1.8 3.86 1570 1106 A 108 LEU HD1% A 108 LEU H 1.0 1.8 4.90 1571 1107 A 108 LEU HD2% A 108 LEU H 1.0 1.8 4.90 1572 1108 A 108 LEU H A 109 THR H 1.0 1.8 3.82 1573 1109 A 109 THR HA A 109 THR HG2% 1.0 1.8 3.09 1574 1110 A 109 THR HG2% A 110 GLY H 1.0 1.8 4.43 1575 1111 A 109 THR H A 109 THR HG2% 1.0 1.8 3.91 1576 1112 A 109 THR H A 110 GLY H 1.0 1.8 3.75 1577 1113 A 110 GLY H A 111 GLY H 1.0 1.8 4.70 1578 1114 A 112 GLN HA A 112 GLN HGx 1.0 1.8 3.65 1579 1114 A 112 GLN HA A 112 GLN HGy 1.0 1.8 3.65 1580 1115 A 112 GLN HA A 113 LEU H 1.0 1.8 3.48 1581 1116 A 113 LEU H A 112 GLN HBx 1.0 1.8 4.20 1582 1116 A 113 LEU H A 112 GLN HBy 1.0 1.8 4.20 1583 1117 A 113 LEU H A 112 GLN HGx 1.0 1.8 4.49 1584 1117 A 112 GLN HGy A 113 LEU H 1.0 1.8 4.49 1585 1118 A 112 GLN H A 112 GLN HBx 1.0 1.8 3.70 1586 1118 A 112 GLN HBy A 112 GLN H 1.0 1.8 3.70 1587 1119 A 112 GLN H A 112 GLN HGx 1.0 1.8 4.60 1588 1119 A 112 GLN HGy A 112 GLN H 1.0 1.8 4.60 1589 1120 A 113 LEU HA A 113 LEU HD2% 1.0 1.8 3.23 1590 1120 A 113 LEU HA A 113 LEU HD1% 1.0 1.8 3.23 1591 1121 A 113 LEU HA A 113 LEU HD1% 1.0 1.8 4.50 1592 1122 A 113 LEU HA A 113 LEU HD2% 1.0 1.8 4.50 1593 1123 A 113 LEU HA A 113 LEU HG 1.0 1.8 3.80 1594 1124 A 113 LEU HA A 114 GLU H 1.0 1.8 3.71 1595 1125 A 114 GLU H A 113 LEU HBy 1.0 1.8 4.42 1596 1126 A 114 GLU H A 113 LEU HBx 1.0 1.8 4.42 1597 1127 A 113 LEU HG A 114 GLU H 1.0 1.8 5.20 1598 1128 A 113 LEU H A 113 LEU HBy 1.0 1.8 4.13 1599 1129 A 113 LEU H A 113 LEU HBx 1.0 1.8 4.13 1600 1130 A 113 LEU H A 113 LEU HG 1.0 1.8 4.65 1601 1131 A 114 GLU HA A 114 GLU HGy 1.0 1.8 4.40 1602 1132 A 114 GLU HA A 114 GLU HGx 1.0 1.8 4.40 1603 1133 A 114 GLU H A 114 GLU HBx 1.0 1.8 3.31 1604 1133 A 114 GLU H A 114 GLU HBy 1.0 1.8 3.31 1605 1134 A 114 GLU H A 114 GLU HGx 1.0 1.8 4.55 1606 1134 A 114 GLU H A 114 GLU HGy 1.0 1.8 4.55 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 6 GLN H A 2 THR O 1.0 1.7 2.3 2 2 A 2 THR O A 6 GLN N 1.0 2.7 3.3 3 3 A 7 LEU H A 3 LEU O 1.0 1.7 2.3 4 4 A 3 LEU O A 7 LEU N 1.0 2.7 3.3 5 5 A 8 LYS H A 4 GLU O 1.0 1.7 2.3 6 6 A 4 GLU O A 8 LYS N 1.0 2.7 3.3 7 7 A 9 HIS H A 5 LEU O 1.0 1.7 2.3 8 8 A 5 LEU O A 9 HIS N 1.0 2.7 3.3 9 9 A 10 TYR H A 6 GLN O 1.0 1.7 2.3 10 10 A 6 GLN O A 10 TYR N 1.0 2.7 3.3 11 11 A 11 ILE H A 7 LEU O 1.0 1.7 2.3 12 12 A 7 LEU O A 11 ILE N 1.0 2.7 3.3 13 13 A 12 THR H A 8 LYS O 1.0 1.7 2.3 14 14 A 8 LYS O A 12 THR N 1.0 2.7 3.3 15 15 A 13 ASN H A 9 HIS O 1.0 1.7 2.3 16 16 A 9 HIS O A 13 ASN N 1.0 2.7 3.3 17 17 A 14 LEU H A 10 TYR O 1.0 1.7 2.3 18 18 A 10 TYR O A 14 LEU N 1.0 2.7 3.3 19 19 A 15 PHE H A 11 ILE O 1.0 1.7 2.3 20 20 A 11 ILE O A 15 PHE N 1.0 2.7 3.3 21 21 A 17 LEU H A 12 THR O 1.0 1.7 2.3 22 22 A 12 THR O A 17 LEU N 1.0 2.7 3.3 23 23 A 24 GLU H A 57 TYR O 1.0 1.7 2.3 24 24 A 57 TYR O A 24 GLU N 1.0 2.7 3.3 25 25 A 26 GLU H A 55 THR O 1.0 1.7 2.3 26 26 A 55 THR O A 26 GLU N 1.0 2.7 3.3 27 27 A 30 GLU H A 51 LEU O 1.0 1.7 2.3 28 28 A 51 LEU O A 30 GLU N 1.0 2.7 3.3 29 29 A 32 ALA H A 49 LYS O 1.0 1.7 2.3 30 30 A 49 LYS O A 32 ALA N 1.0 2.7 3.3 31 31 A 47 SER H A 44 GLY O 1.0 1.7 2.3 32 32 A 44 GLY O A 47 SER N 1.0 2.7 3.3 33 33 A 51 LEU H A 30 GLU O 1.0 1.7 2.3 34 34 A 30 GLU O A 51 LEU N 1.0 2.7 3.3 35 35 A 52 GLN H A 72 TYR O 1.0 1.7 2.3 36 36 A 72 TYR O A 52 GLN N 1.0 2.7 3.3 37 37 A 53 THR H A 28 ILE O 1.0 1.7 2.3 38 38 A 28 ILE O A 53 THR N 1.0 2.7 3.3 39 39 A 54 ASN H A 70 ILE O 1.0 1.7 2.3 40 40 A 70 ILE O A 54 ASN N 1.0 2.7 3.3 41 41 A 55 THR H A 26 GLU O 1.0 1.7 2.3 42 42 A 26 GLU O A 55 THR N 1.0 2.7 3.3 43 43 A 56 TYR H A 68 PRO O 1.0 1.7 2.3 44 44 A 68 PRO O A 56 TYR N 1.0 2.7 3.3 45 45 A 57 TYR H A 24 GLU O 1.0 1.7 2.3 46 46 A 24 GLU O A 57 TYR N 1.0 2.7 3.3 47 47 A 62 HIS H A 58 SER O 1.0 1.7 2.3 48 48 A 58 SER O A 62 HIS N 1.0 2.7 3.3 49 49 A 63 LYS H A 59 ASP O 1.0 1.7 2.3 50 50 A 59 ASP O A 63 LYS N 1.0 2.7 3.3 51 51 A 64 SER H A 60 THR O 1.0 1.7 2.3 52 52 A 60 THR O A 64 SER N 1.0 2.7 3.3 53 53 A 67 TYR H A 83 ILE O 1.0 1.7 2.3 54 54 A 83 ILE O A 67 TYR N 1.0 2.7 3.3 55 55 A 69 PHE H A 81 GLY O 1.0 1.7 2.3 56 56 A 81 GLY O A 69 PHE N 1.0 2.7 3.3 57 57 A 70 ILE H A 54 ASN O 1.0 1.7 2.3 58 58 A 54 ASN O A 70 ILE N 1.0 2.7 3.3 59 59 A 71 LEU H A 79 ALA O 1.0 1.7 2.3 60 60 A 79 ALA O A 71 LEU N 1.0 2.7 3.3 61 61 A 72 TYR H A 52 GLN O 1.0 1.7 2.3 62 62 A 52 GLN O A 72 TYR N 1.0 2.7 3.3 63 63 A 73 TYR H A 76 GLN O 1.0 1.7 2.3 64 64 A 76 GLN O A 73 TYR N 1.0 2.7 3.3 65 65 A 78 ILE H A 71 LEU O 1.0 1.7 2.3 66 66 A 71 LEU O A 78 ILE N 1.0 2.7 3.3 67 67 A 80 ILE H A 93 TYR O 1.0 1.7 2.3 68 68 A 93 TYR O A 80 ILE N 1.0 2.7 3.3 69 69 A 81 GLY H A 69 PHE O 1.0 1.7 2.3 70 70 A 69 PHE O A 81 GLY N 1.0 2.7 3.3 71 71 A 82 PHE H A 90 ASP O 1.0 1.7 2.3 72 72 A 90 ASP O A 82 PHE N 1.0 2.7 3.3 73 73 A 83 ILE H A 67 TYR O 1.0 1.7 2.3 74 74 A 67 TYR O A 83 ILE N 1.0 2.7 3.3 75 75 A 87 HIS H A 84 ASP O 1.0 1.7 2.3 76 76 A 84 ASP O A 87 HIS N 1.0 2.7 3.3 77 77 A 90 ASP H A 82 PHE O 1.0 1.7 2.3 78 78 A 82 PHE O A 90 ASP N 1.0 2.7 3.3 79 79 A 95 HIS H A 78 ILE O 1.0 1.7 2.3 80 80 A 78 ILE O A 95 HIS N 1.0 2.7 3.3 81 81 A 108 LEU H A 104 GLN O 1.0 1.7 2.3 82 82 A 104 GLN O A 108 LEU N 1.0 2.7 3.3 83 83 A 109 THR H A 105 ARG O 1.0 1.7 2.3 84 84 A 105 ARG O A 109 THR N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 THR C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -91.45 -31.4500 PHI 2 2 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 GLU N 1.0 -80.95 -0.9500 PSI 3 3 A 3 LEU C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -93.78 -33.7800 PHI 4 4 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 LEU N 1.0 -77.90 2.1000 PSI 5 5 A 4 GLU C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -95.58 -35.5800 PHI 6 6 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 GLN N 1.0 -79.39 0.6100 PSI 7 7 A 5 LEU C A 6 GLN N A 6 GLN CA A 6 GLN C 1.0 -94.40 -34.4000 PHI 8 8 A 6 GLN N A 6 GLN CA A 6 GLN C A 7 LEU N 1.0 -85.78 -5.7800 PSI 9 9 A 6 GLN C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -90.91 -30.9100 PHI 10 10 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 LYS N 1.0 -81.69 -1.6900 PSI 11 11 A 7 LEU C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -97.23 -37.2300 PHI 12 12 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 HIS N 1.0 -80.67 -0.6700 PSI 13 13 A 8 LYS C A 9 HIS N A 9 HIS CA A 9 HIS C 1.0 -96.30 -36.3000 PHI 14 14 A 9 HIS N A 9 HIS CA A 9 HIS C A 10 TYR N 1.0 -81.94 -1.9400 PSI 15 15 A 9 HIS C A 10 TYR N A 10 TYR CA A 10 TYR C 1.0 -93.63 -33.6300 PHI 16 16 A 10 TYR N A 10 TYR CA A 10 TYR C A 11 ILE N 1.0 -83.26 -3.2600 PSI 17 17 A 10 TYR C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -99.81 -39.8100 PHI 18 18 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 THR N 1.0 -75.82 4.1800 PSI 19 19 A 11 ILE C A 12 THR N A 12 THR CA A 12 THR C 1.0 -92.42 -32.4200 PHI 20 20 A 12 THR N A 12 THR CA A 12 THR C A 13 ASN N 1.0 -76.77 3.2300 PSI 21 21 A 12 THR C A 13 ASN N A 13 ASN CA A 13 ASN C 1.0 -94.79 -34.7900 PHI 22 22 A 13 ASN N A 13 ASN CA A 13 ASN C A 14 LEU N 1.0 -80.97 -0.9698 PSI 23 23 A 13 ASN C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -100.73 -40.7300 PHI 24 24 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 PHE N 1.0 -77.34 2.6600 PSI 25 25 A 14 LEU C A 15 PHE N A 15 PHE CA A 15 PHE C 1.0 -127.31 -67.3100 PHI 26 26 A 15 PHE N A 15 PHE CA A 15 PHE C A 16 ASN N 1.0 -39.02 40.9800 PSI 27 27 A 18 PRO C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -94.50 -34.5000 PHI 28 28 A 19 ARG N A 19 ARG CA A 19 ARG C A 20 ASP N 1.0 -63.14 16.8600 PSI 29 29 A 19 ARG C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -126.10 -66.1000 PHI 30 30 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 GLU N 1.0 -39.52 40.4800 PSI 31 31 A 20 ASP C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -117.19 -57.1900 PHI 32 32 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 LYS N 1.0 95.52 175.5200 PSI 33 33 A 21 GLU C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -132.79 -72.7900 PHI 34 34 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 TRP N 1.0 85.60 165.6000 PSI 35 35 A 22 LYS C A 23 TRP N A 23 TRP CA A 23 TRP C 1.0 -140.97 -80.9700 PHI 36 36 A 23 TRP N A 23 TRP CA A 23 TRP C A 24 GLU N 1.0 101.25 181.2500 PSI 37 37 A 23 TRP C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -169.81 -109.8100 PHI 38 38 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 CYS N 1.0 115.51 195.5100 PSI 39 39 A 24 GLU C A 25 CYS N A 25 CYS CA A 25 CYS C 1.0 -136.91 -76.9100 PHI 40 40 A 25 CYS N A 25 CYS CA A 25 CYS C A 26 GLU N 1.0 82.84 162.8400 PSI 41 41 A 25 CYS C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -141.92 -81.9200 PHI 42 42 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 SER N 1.0 83.67 163.6700 PSI 43 43 A 26 GLU C A 27 SER N A 27 SER CA A 27 SER C 1.0 -139.69 -79.6900 PHI 44 44 A 27 SER N A 27 SER CA A 27 SER C A 28 ILE N 1.0 86.54 166.5400 PSI 45 45 A 27 SER C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -171.59 -111.5900 PHI 46 46 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 GLU N 1.0 109.76 189.7600 PSI 47 47 A 28 ILE C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -138.87 -78.8700 PHI 48 48 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 GLU N 1.0 99.47 179.4700 PSI 49 49 A 29 GLU C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -177.35 -117.3500 PHI 50 50 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 VAL N 1.0 109.56 189.5600 PSI 51 51 A 30 GLU C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -103.14 -43.1400 PHI 52 52 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 ALA N 1.0 98.89 178.8900 PSI 53 53 A 31 VAL C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -89.73 -29.7300 PHI 54 54 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 ASP N 1.0 -68.56 11.4400 PSI 55 55 A 32 ALA C A 33 ASP N A 33 ASP CA A 33 ASP C 1.0 -97.96 -37.9600 PHI 56 56 A 33 ASP N A 33 ASP CA A 33 ASP C A 34 ASP N 1.0 -55.61 24.3900 PSI 57 57 A 37 PRO N A 37 PRO CA A 37 PRO C A 38 ASP N 1.0 101.16 181.1600 PSI 58 58 A 37 PRO C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -85.87 -25.8700 PHI 59 59 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 GLN N 1.0 -74.13 5.8700 PSI 60 60 A 38 ASP C A 39 GLN N A 39 GLN CA A 39 GLN C 1.0 -97.68 -37.6800 PHI 61 61 A 39 GLN N A 39 GLN CA A 39 GLN C A 40 TYR N 1.0 -66.79 13.2100 PSI 62 62 A 45 PRO C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -91.86 -31.8600 PHI 63 63 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 SER N 1.0 -67.43 12.5700 PSI 64 64 A 49 LYS C A 50 ILE N A 50 ILE CA A 50 ILE C 1.0 -129.32 -69.3200 PHI 65 65 A 50 ILE N A 50 ILE CA A 50 ILE C A 51 LEU N 1.0 74.65 154.6500 PSI 66 66 A 50 ILE C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -135.86 -75.8600 PHI 67 67 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 GLN N 1.0 92.14 172.1400 PSI 68 68 A 51 LEU C A 52 GLN N A 52 GLN CA A 52 GLN C 1.0 -128.07 -68.0700 PHI 69 69 A 52 GLN N A 52 GLN CA A 52 GLN C A 53 THR N 1.0 82.47 162.4700 PSI 70 70 A 52 GLN C A 53 THR N A 53 THR CA A 53 THR C 1.0 -139.07 -79.0700 PHI 71 71 A 53 THR N A 53 THR CA A 53 THR C A 54 ASN N 1.0 83.65 163.6500 PSI 72 72 A 53 THR C A 54 ASN N A 54 ASN CA A 54 ASN C 1.0 -148.98 -88.9800 PHI 73 73 A 54 ASN N A 54 ASN CA A 54 ASN C A 55 THR N 1.0 82.82 162.8200 PSI 74 74 A 54 ASN C A 55 THR N A 55 THR CA A 55 THR C 1.0 -143.92 -83.9200 PHI 75 75 A 55 THR N A 55 THR CA A 55 THR C A 56 TYR N 1.0 85.79 165.7900 PSI 76 76 A 56 TYR C A 57 TYR N A 57 TYR CA A 57 TYR C 1.0 -173.14 -113.1400 PHI 77 77 A 57 TYR N A 57 TYR CA A 57 TYR C A 58 SER N 1.0 116.15 196.1500 PSI 78 78 A 57 TYR C A 58 SER N A 58 SER CA A 58 SER C 1.0 -135.36 -75.3600 PHI 79 79 A 58 SER N A 58 SER CA A 58 SER C A 59 ASP N 1.0 117.62 197.6200 PSI 80 80 A 58 SER C A 59 ASP N A 59 ASP CA A 59 ASP C 1.0 -90.50 -30.5000 PHI 81 81 A 59 ASP N A 59 ASP CA A 59 ASP C A 60 THR N 1.0 -75.36 4.6400 PSI 82 82 A 59 ASP C A 60 THR N A 60 THR CA A 60 THR C 1.0 -98.54 -38.5400 PHI 83 83 A 60 THR N A 60 THR CA A 60 THR C A 61 LEU N 1.0 -78.67 1.3300 PSI 84 84 A 60 THR C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -94.99 -34.9900 PHI 85 85 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 HIS N 1.0 -80.68 -0.6800 PSI 86 86 A 61 LEU C A 62 HIS N A 62 HIS CA A 62 HIS C 1.0 -94.69 -34.6900 PHI 87 87 A 62 HIS N A 62 HIS CA A 62 HIS C A 63 LYS N 1.0 -79.49 0.5100 PSI 88 88 A 62 HIS C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -97.29 -37.2900 PHI 89 89 A 63 LYS N A 63 LYS CA A 63 LYS C A 64 SER N 1.0 -68.92 11.0800 PSI 90 90 A 63 LYS C A 64 SER N A 64 SER CA A 64 SER C 1.0 -122.28 -62.2800 PHI 91 91 A 64 SER N A 64 SER CA A 64 SER C A 65 ASN N 1.0 -43.31 36.6900 PSI 92 92 A 65 ASN C A 66 ILE N A 66 ILE CA A 66 ILE C 1.0 -156.33 -96.3300 PHI 93 93 A 66 ILE N A 66 ILE CA A 66 ILE C A 67 TYR N 1.0 119.63 199.6300 PSI 94 94 A 68 PRO N A 68 PRO CA A 68 PRO C A 69 PHE N 1.0 90.36 170.3600 PSI 95 95 A 68 PRO C A 69 PHE N A 69 PHE CA A 69 PHE C 1.0 -159.69 -99.6900 PHI 96 96 A 69 PHE N A 69 PHE CA A 69 PHE C A 70 ILE N 1.0 107.70 187.7000 PSI 97 97 A 69 PHE C A 70 ILE N A 70 ILE CA A 70 ILE C 1.0 -165.00 -105.0000 PHI 98 98 A 70 ILE N A 70 ILE CA A 70 ILE C A 71 LEU N 1.0 95.44 175.4400 PSI 99 99 A 70 ILE C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -142.91 -82.9100 PHI 100 100 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 TYR N 1.0 94.07 174.0700 PSI 101 101 A 71 LEU C A 72 TYR N A 72 TYR CA A 72 TYR C 1.0 -158.57 -98.5700 PHI 102 102 A 72 TYR N A 72 TYR CA A 72 TYR C A 73 TYR N 1.0 108.65 188.6500 PSI 103 103 A 72 TYR C A 73 TYR N A 73 TYR CA A 73 TYR C 1.0 -166.22 -106.2200 PHI 104 104 A 73 TYR N A 73 TYR CA A 73 TYR C A 74 GLN N 1.0 80.84 160.8400 PSI 105 105 A 78 ILE C A 79 ALA N A 79 ALA CA A 79 ALA C 1.0 -169.21 -109.2100 PHI 106 106 A 79 ALA N A 79 ALA CA A 79 ALA C A 80 ILE N 1.0 115.33 195.3300 PSI 107 107 A 79 ALA C A 80 ILE N A 80 ILE CA A 80 ILE C 1.0 -165.02 -105.0200 PHI 108 108 A 80 ILE N A 80 ILE CA A 80 ILE C A 81 GLY N 1.0 95.54 175.5400 PSI 109 109 A 81 GLY C A 82 PHE N A 82 PHE CA A 82 PHE C 1.0 -164.27 -104.2700 PHI 110 110 A 82 PHE N A 82 PHE CA A 82 PHE C A 83 ILE N 1.0 109.32 189.3200 PSI 111 111 A 82 PHE C A 83 ILE N A 83 ILE CA A 83 ILE C 1.0 -143.82 -83.8200 PHI 112 112 A 83 ILE N A 83 ILE CA A 83 ILE C A 84 ASP N 1.0 87.88 167.8800 PSI 113 113 A 83 ILE C A 84 ASP N A 84 ASP CA A 84 ASP C 1.0 -120.78 -60.7800 PHI 114 114 A 84 ASP N A 84 ASP CA A 84 ASP C A 85 GLU N 1.0 118.44 198.4400 PSI 115 115 A 88 ASP C A 89 MET N A 89 MET CA A 89 MET C 1.0 -120.34 -60.3400 PHI 116 116 A 89 MET N A 89 MET CA A 89 MET C A 90 ASP N 1.0 92.60 172.6000 PSI 117 117 A 92 LEU C A 93 TYR N A 93 TYR CA A 93 TYR C 1.0 -160.19 -100.1900 PHI 118 118 A 93 TYR N A 93 TYR CA A 93 TYR C A 94 LEU N 1.0 107.18 187.1800 PSI 119 119 A 93 TYR C A 94 LEU N A 94 LEU CA A 94 LEU C 1.0 -149.60 -89.6000 PHI 120 120 A 94 LEU N A 94 LEU CA A 94 LEU C A 95 HIS N 1.0 85.55 165.5500 PSI 121 121 A 94 LEU C A 95 HIS N A 95 HIS CA A 95 HIS C 1.0 -148.66 -88.6600 PHI 122 122 A 95 HIS N A 95 HIS CA A 95 HIS C A 96 ASN N 1.0 103.36 183.3600 PSI 123 123 A 95 HIS C A 96 ASN N A 96 ASN CA A 96 ASN C 1.0 -114.18 -54.1800 PHI 124 124 A 96 ASN N A 96 ASN CA A 96 ASN C A 97 THR N 1.0 99.22 179.2200 PSI 125 125 A 103 ASP C A 104 GLN N A 104 GLN CA A 104 GLN C 1.0 -122.87 -62.8700 PHI 126 126 A 104 GLN N A 104 GLN CA A 104 GLN C A 105 ARG N 1.0 116.50 196.5000 PSI 127 127 A 104 GLN C A 105 ARG N A 105 ARG CA A 105 ARG C 1.0 -89.33 -29.3300 PHI 128 128 A 105 ARG N A 105 ARG CA A 105 ARG C A 106 TYR N 1.0 -73.15 6.8500 PSI 129 129 A 105 ARG C A 106 TYR N A 106 TYR CA A 106 TYR C 1.0 -94.74 -34.7400 PHI 130 130 A 106 TYR N A 106 TYR CA A 106 TYR C A 107 LEU N 1.0 -71.47 8.5300 PSI 131 131 A 106 TYR C A 107 LEU N A 107 LEU CA A 107 LEU C 1.0 -91.89 -31.8900 PHI 132 132 A 107 LEU N A 107 LEU CA A 107 LEU C A 108 LEU N 1.0 -74.17 5.8300 PSI 133 133 A 107 LEU C A 108 LEU N A 108 LEU CA A 108 LEU C 1.0 -95.63 -35.6300 PHI 134 134 A 108 LEU N A 108 LEU CA A 108 LEU C A 109 THR N 1.0 -69.17 10.8300 PSI 135 135 A 108 LEU C A 109 THR N A 109 THR CA A 109 THR C 1.0 -132.82 -72.8200 PHI 136 136 A 109 THR N A 109 THR CA A 109 THR C A 110 GLY N 1.0 -37.56 42.4400 PSI stop_ save_ save_Nnoesy_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Nnoesy_peak_list _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 2500.0 2 1H 10627.0 3 1H 12755.1 stop_ save_ save_Cnoesy_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_peak_list _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 17094.0 2 1H 10627.0 3 1H 12755.1 stop_ save_ save_d2o_Cnoesy_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode d2o_Cnoesy_peak_list _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 4521.8 2 1H 8990.8 3 1H 12001.2 stop_ save_ save_4D_CC_noesy_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 4D_CC_noesy_peak_list _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 3124.3 2 13C 3124.3 3 1H 4201.7 4 1H 8000 stop_ save_