data_nef_c15902_2k75 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 SER start . . 2 A 2 ASP middle . . 3 A 3 LEU middle . . 4 A 4 VAL middle . . 5 A 5 LYS middle . . 6 A 6 ILE middle . . 7 A 7 ARG middle . . 8 A 8 ASP middle . . 9 A 9 VAL middle . . 10 A 10 SER middle . . 11 A 11 LEU middle . . 12 A 12 SER middle . . 13 A 13 THR middle . . 14 A 14 PRO middle . false 15 A 15 TYR middle . . 16 A 16 VAL middle . . 17 A 17 SER middle . . 18 A 18 VAL middle . . 19 A 19 ILE middle . . 20 A 20 GLY middle . false 21 A 21 LYS middle . . 22 A 22 ILE middle . . 23 A 23 THR middle . . 24 A 24 GLY middle . false 25 A 25 ILE middle . . 26 A 26 HIS middle . . 27 A 27 LYS middle . . 28 A 28 LYS middle . . 29 A 29 GLU middle . . 30 A 30 TYR middle . . 31 A 31 GLU middle . . 32 A 32 SER middle . . 33 A 33 ASP middle . . 34 A 34 GLY middle . false 35 A 35 THR middle . . 36 A 36 THR middle . . 37 A 37 LYS middle . . 38 A 38 SER middle . . 39 A 39 VAL middle . . 40 A 40 TYR middle . . 41 A 41 GLN middle . . 42 A 42 GLY middle . false 43 A 43 TYR middle . . 44 A 44 ILE middle . . 45 A 45 GLU middle . . 46 A 46 ASP middle . . 47 A 47 ASP middle . . 48 A 48 THR middle . . 49 A 49 ALA middle . . 50 A 50 ARG middle . . 51 A 51 ILE middle . . 52 A 52 ARG middle . . 53 A 53 ILE middle . . 54 A 54 SER middle . . 55 A 55 SER middle . . 56 A 56 PHE middle . . 57 A 57 GLY middle . false 58 A 58 LYS middle . . 59 A 59 GLN middle . . 60 A 60 LEU middle . . 61 A 61 GLN middle . . 62 A 62 ASP middle . . 63 A 63 SER middle . . 64 A 64 ASP middle . . 65 A 65 VAL middle . . 66 A 66 VAL middle . . 67 A 67 ARG middle . . 68 A 68 ILE middle . . 69 A 69 ASP middle . . 70 A 70 ASN middle . . 71 A 71 ALA middle . . 72 A 72 ARG middle . . 73 A 73 VAL middle . . 74 A 74 ALA middle . . 75 A 75 GLN middle . . 76 A 76 PHE middle . . 77 A 77 ASN middle . . 78 A 78 GLY middle . false 79 A 79 TYR middle . . 80 A 80 LEU middle . . 81 A 81 SER middle . . 82 A 82 LEU middle . . 83 A 83 SER middle . . 84 A 84 VAL middle . . 85 A 85 GLY middle . false 86 A 86 ASP middle . . 87 A 87 SER middle . . 88 A 88 SER middle . . 89 A 89 ARG middle . . 90 A 90 ILE middle . . 91 A 91 GLU middle . . 92 A 92 SER middle . . 93 A 93 VAL middle . . 94 A 94 ASN middle . . 95 A 95 VAL middle . . 96 A 96 ASN middle . . 97 A 97 ILE middle . . 98 A 98 PRO middle . false 99 A 99 LEU middle . . 100 A 100 GLU middle . . 101 A 101 HIS middle . . 102 A 102 HIS middle . . 103 A 103 HIS middle . . 104 A 104 HIS middle . . 105 A 105 HIS middle . . 106 A 106 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 1 SER HA H 1 4.10 0.02 A 1 SER HBx H 1 3.91 0.02 A 1 SER HBy H 1 3.91 0.02 A 1 SER C C 13 170.2 0.2 A 1 SER CA C 13 57.1 0.2 A 1 SER CB C 13 63.3 0.2 A 2 ASP H H 1 8.89 0.02 A 2 ASP HA H 1 4.74 0.02 A 2 ASP HBx H 1 2.57 0.02 A 2 ASP HBy H 1 2.70 0.02 A 2 ASP C C 13 174.6 0.2 A 2 ASP CA C 13 53.8 0.2 A 2 ASP CB C 13 41.5 0.2 A 2 ASP N N 15 122.1 0.2 A 3 LEU H H 1 8.28 0.02 A 3 LEU HA H 1 4.42 0.02 A 3 LEU HBx H 1 1.42 0.02 A 3 LEU HBy H 1 1.54 0.02 A 3 LEU HD1% H 1 0.77 0.02 A 3 LEU HD2% H 1 0.73 0.02 A 3 LEU HG H 1 1.45 0.02 A 3 LEU C C 13 176.9 0.2 A 3 LEU CA C 13 55.0 0.2 A 3 LEU CB C 13 42.7 0.2 A 3 LEU CD1 C 13 24.3 0.02 A 3 LEU CD2 C 13 24.8 0.02 A 3 LEU CG C 13 27.0 0.2 A 3 LEU N N 15 122.3 0.2 A 4 VAL H H 1 8.64 0.02 A 4 VAL HA H 1 4.54 0.02 A 4 VAL HB H 1 2.13 0.02 A 4 VAL HG1% H 1 0.94 0.02 A 4 VAL HG2% H 1 0.82 0.02 A 4 VAL C C 13 175.8 0.2 A 4 VAL CA C 13 59.4 0.2 A 4 VAL CB C 13 35.4 0.2 A 4 VAL CG1 C 13 21.4 0.02 A 4 VAL CG2 C 13 19.8 0.02 A 4 VAL N N 15 122.6 0.2 A 5 LYS H H 1 8.63 0.02 A 5 LYS HA H 1 4.45 0.02 A 5 LYS HBx H 1 1.77 0.02 A 5 LYS HBy H 1 2.18 0.02 A 5 LYS HDx H 1 1.59 0.02 A 5 LYS HDy H 1 1.77 0.02 A 5 LYS HEx H 1 2.92 0.02 A 5 LYS HEy H 1 2.99 0.02 A 5 LYS HGx H 1 1.49 0.02 A 5 LYS HGy H 1 1.61 0.02 A 5 LYS C C 13 179.4 0.2 A 5 LYS CA C 13 53.6 0.2 A 5 LYS CB C 13 30.9 0.2 A 5 LYS CD C 13 27.7 0.2 A 5 LYS CE C 13 42.0 0.2 A 5 LYS CG C 13 24.0 0.2 A 5 LYS N N 15 121.1 0.2 A 6 ILE H H 1 10.32 0.02 A 6 ILE HA H 1 3.44 0.02 A 6 ILE HB H 1 1.76 0.02 A 6 ILE HD1% H 1 0.76 0.02 A 6 ILE HG1x H 1 0.75 0.02 A 6 ILE HG1y H 1 1.78 0.02 A 6 ILE HG2% H 1 0.60 0.02 A 6 ILE C C 13 178.3 0.2 A 6 ILE CA C 13 65.7 0.2 A 6 ILE CB C 13 35.9 0.2 A 6 ILE CD1 C 13 13.2 0.2 A 6 ILE CG1 C 13 32.1 0.2 A 6 ILE CG2 C 13 19.2 0.2 A 6 ILE N N 15 125.4 0.2 A 7 ARG H H 1 8.21 0.02 A 7 ARG HA H 1 3.85 0.02 A 7 ARG HBx H 1 1.37 0.02 A 7 ARG HBy H 1 1.75 0.02 A 7 ARG HDx H 1 3.16 0.02 A 7 ARG HDy H 1 3.22 0.02 A 7 ARG HE H 1 7.37 0.02 A 7 ARG HGx H 1 1.49 0.02 A 7 ARG HGy H 1 1.58 0.02 A 7 ARG C C 13 175.6 0.2 A 7 ARG CA C 13 57.8 0.2 A 7 ARG CB C 13 30.3 0.2 A 7 ARG CD C 13 43.6 0.2 A 7 ARG CG C 13 25.8 0.2 A 7 ARG CZ C 13 159.7 0.2 A 7 ARG N N 15 118.8 0.2 A 7 ARG NE N 15 85.1 0.2 A 8 ASP H H 1 7.85 0.02 A 8 ASP HA H 1 4.70 0.02 A 8 ASP HBx H 1 2.69 0.02 A 8 ASP HBy H 1 2.91 0.02 A 8 ASP C C 13 176.1 0.2 A 8 ASP CA C 13 54.1 0.2 A 8 ASP CB C 13 41.2 0.2 A 8 ASP N N 15 116.8 0.2 A 9 VAL H H 1 7.24 0.02 A 9 VAL HA H 1 3.71 0.02 A 9 VAL HB H 1 2.02 0.02 A 9 VAL HG1% H 1 0.76 0.02 A 9 VAL HG2% H 1 0.90 0.02 A 9 VAL C C 13 174.9 0.2 A 9 VAL CA C 13 64.3 0.2 A 9 VAL CB C 13 31.5 0.2 A 9 VAL CG1 C 13 22.9 0.02 A 9 VAL CG2 C 13 23.2 0.02 A 9 VAL N N 15 121.8 0.2 A 10 SER H H 1 8.60 0.02 A 10 SER HA H 1 4.60 0.02 A 10 SER HBx H 1 3.69 0.02 A 10 SER HBy H 1 4.04 0.02 A 10 SER CA C 13 56.7 0.2 A 10 SER CB C 13 66.1 0.2 A 10 SER N N 15 122.2 0.2 A 11 LEU H H 1 8.66 0.02 A 11 LEU HA H 1 3.90 0.02 A 11 LEU HBx H 1 1.51 0.02 A 11 LEU HBy H 1 1.59 0.02 A 11 LEU HD1% H 1 0.79 0.02 A 11 LEU HD2% H 1 0.68 0.02 A 11 LEU HG H 1 1.59 0.02 A 11 LEU C C 13 178.1 0.2 A 11 LEU CA C 13 56.7 0.2 A 11 LEU CB C 13 41.4 0.2 A 11 LEU CD1 C 13 25.0 0.02 A 11 LEU CD2 C 13 23.0 0.02 A 11 LEU CG C 13 26.9 0.2 A 11 LEU N N 15 120.3 0.2 A 12 SER H H 1 8.16 0.02 A 12 SER HA H 1 4.27 0.02 A 12 SER HBx H 1 3.84 0.02 A 12 SER HBy H 1 3.88 0.02 A 12 SER C C 13 174.2 0.2 A 12 SER CA C 13 59.9 0.2 A 12 SER CB C 13 63.1 0.2 A 12 SER N N 15 112.1 0.2 A 13 THR H H 1 7.46 0.02 A 13 THR HA H 1 4.76 0.02 A 13 THR HB H 1 4.13 0.02 A 13 THR HG2% H 1 1.13 0.02 A 13 THR CA C 13 56.6 0.2 A 13 THR CB C 13 70.1 0.2 A 13 THR CG2 C 13 20.5 0.2 A 13 THR N N 15 114.7 0.2 A 14 PRO HA H 1 4.05 0.02 A 14 PRO HBx H 1 1.83 0.02 A 14 PRO HBy H 1 2.21 0.02 A 14 PRO HDx H 1 3.47 0.02 A 14 PRO HDy H 1 3.85 0.02 A 14 PRO HGx H 1 2.01 0.02 A 14 PRO HGy H 1 2.08 0.02 A 14 PRO C C 13 175.8 0.2 A 14 PRO CA C 13 65.1 0.2 A 14 PRO CB C 13 32.1 0.2 A 14 PRO CD C 13 50.6 0.2 A 14 PRO CG C 13 27.2 0.2 A 15 TYR H H 1 7.38 0.02 A 15 TYR HA H 1 5.57 0.02 A 15 TYR HBx H 1 2.70 0.02 A 15 TYR HBy H 1 2.79 0.02 A 15 TYR HDx H 1 6.87 0.02 A 15 TYR HDy H 1 6.87 0.02 A 15 TYR HEx H 1 6.75 0.02 A 15 TYR HEy H 1 6.75 0.02 A 15 TYR C C 13 176.1 0.2 A 15 TYR CA C 13 56.4 0.2 A 15 TYR CB C 13 41.5 0.2 A 15 TYR CDx C 13 133.6 0.02 A 15 TYR CDy C 13 133.6 0.02 A 15 TYR CEx C 13 117.5 0.02 A 15 TYR CEy C 13 117.5 0.02 A 15 TYR N N 15 113.8 0.2 A 16 VAL H H 1 9.01 0.02 A 16 VAL HA H 1 4.92 0.02 A 16 VAL HB H 1 2.12 0.02 A 16 VAL HG1% H 1 0.93 0.02 A 16 VAL HG2% H 1 0.59 0.02 A 16 VAL C C 13 174.3 0.2 A 16 VAL CA C 13 59.6 0.2 A 16 VAL CB C 13 36.8 0.2 A 16 VAL CG1 C 13 22.8 0.02 A 16 VAL CG2 C 13 18.9 0.02 A 16 VAL N N 15 113.8 0.2 A 17 SER H H 1 7.96 0.02 A 17 SER HA H 1 5.86 0.02 A 17 SER HBx H 1 3.44 0.02 A 17 SER HBy H 1 3.89 0.02 A 17 SER C C 13 172.7 0.2 A 17 SER CA C 13 57.3 0.2 A 17 SER CB C 13 64.0 0.2 A 17 SER N N 15 117.1 0.2 A 18 VAL H H 1 8.57 0.02 A 18 VAL HA H 1 4.90 0.02 A 18 VAL HB H 1 2.01 0.02 A 18 VAL HG1% H 1 0.70 0.02 A 18 VAL HG2% H 1 0.49 0.02 A 18 VAL C C 13 173.7 0.2 A 18 VAL CA C 13 58.8 0.2 A 18 VAL CB C 13 36.7 0.2 A 18 VAL CG1 C 13 21.8 0.02 A 18 VAL CG2 C 13 18.5 0.02 A 18 VAL N N 15 113.5 0.2 A 19 ILE H H 1 8.49 0.02 A 19 ILE HA H 1 5.30 0.02 A 19 ILE HB H 1 1.49 0.02 A 19 ILE HD1% H 1 0.87 0.02 A 19 ILE HG1x H 1 0.78 0.02 A 19 ILE HG1y H 1 1.58 0.02 A 19 ILE HG2% H 1 0.71 0.02 A 19 ILE C C 13 175.8 0.2 A 19 ILE CA C 13 59.7 0.2 A 19 ILE CB C 13 41.7 0.2 A 19 ILE CD1 C 13 14.3 0.2 A 19 ILE CG1 C 13 28.0 0.2 A 19 ILE CG2 C 13 17.1 0.2 A 19 ILE N N 15 120.6 0.2 A 20 GLY H H 1 8.67 0.02 A 20 GLY HAx H 1 3.76 0.02 A 20 GLY HAy H 1 4.19 0.02 A 20 GLY C C 13 169.9 0.2 A 20 GLY CA C 13 46.0 0.2 A 20 GLY N N 15 110.2 0.2 A 21 LYS H H 1 8.92 0.02 A 21 LYS HA H 1 5.21 0.02 A 21 LYS HBx H 1 1.70 0.02 A 21 LYS HBy H 1 1.70 0.02 A 21 LYS HDx H 1 1.57 0.02 A 21 LYS HDy H 1 1.57 0.02 A 21 LYS HEx H 1 2.81 0.02 A 21 LYS HEy H 1 2.81 0.02 A 21 LYS HGx H 1 1.22 0.02 A 21 LYS HGy H 1 1.22 0.02 A 21 LYS C C 13 176.4 0.2 A 21 LYS CA C 13 54.4 0.2 A 21 LYS CB C 13 35.4 0.2 A 21 LYS CD C 13 29.4 0.2 A 21 LYS CE C 13 42.0 0.2 A 21 LYS CG C 13 24.8 0.2 A 21 LYS N N 15 119.1 0.2 A 22 ILE H H 1 8.90 0.02 A 22 ILE HA H 1 5.05 0.02 A 22 ILE HB H 1 2.33 0.02 A 22 ILE HD1% H 1 0.67 0.02 A 22 ILE HG1x H 1 1.38 0.02 A 22 ILE HG1y H 1 1.69 0.02 A 22 ILE HG2% H 1 0.76 0.02 A 22 ILE C C 13 176.9 0.2 A 22 ILE CA C 13 57.8 0.2 A 22 ILE CB C 13 36.2 0.2 A 22 ILE CD1 C 13 10.3 0.2 A 22 ILE CG1 C 13 26.5 0.2 A 22 ILE CG2 C 13 19.4 0.2 A 22 ILE N N 15 130.0 0.2 A 23 THR H H 1 9.02 0.02 A 23 THR HA H 1 4.66 0.02 A 23 THR HB H 1 4.10 0.02 A 23 THR HG2% H 1 1.06 0.02 A 23 THR C C 13 174.0 0.2 A 23 THR CA C 13 60.8 0.2 A 23 THR CB C 13 73.4 0.2 A 23 THR CG2 C 13 21.8 0.2 A 23 THR N N 15 118.2 0.2 A 24 GLY H H 1 8.43 0.02 A 24 GLY HAx H 1 3.91 0.02 A 24 GLY HAy H 1 3.91 0.02 A 24 GLY C C 13 175.4 0.2 A 24 GLY CA C 13 47.1 0.2 A 24 GLY N N 15 107.2 0.2 A 25 ILE H H 1 9.37 0.02 A 25 ILE HA H 1 4.48 0.02 A 25 ILE HB H 1 1.93 0.02 A 25 ILE HD1% H 1 0.38 0.02 A 25 ILE HG1x H 1 0.93 0.02 A 25 ILE HG1y H 1 1.44 0.02 A 25 ILE HG2% H 1 0.83 0.02 A 25 ILE C C 13 178.2 0.2 A 25 ILE CA C 13 59.2 0.2 A 25 ILE CB C 13 35.4 0.2 A 25 ILE CD1 C 13 9.6 0.2 A 25 ILE CG1 C 13 26.7 0.2 A 25 ILE CG2 C 13 17.8 0.2 A 25 ILE N N 15 120.6 0.2 A 26 HIS H H 1 9.00 0.02 A 26 HIS HA H 1 4.77 0.02 A 26 HIS HBx H 1 3.09 0.02 A 26 HIS HBy H 1 3.28 0.02 A 26 HIS C C 13 172.7 0.2 A 26 HIS CA C 13 55.0 0.2 A 26 HIS CB C 13 31.1 0.2 A 26 HIS N N 15 123.8 0.2 A 27 LYS H H 1 8.93 0.02 A 27 LYS HA H 1 4.77 0.02 A 27 LYS HBx H 1 1.43 0.02 A 27 LYS HBy H 1 1.57 0.02 A 27 LYS HDx H 1 1.52 0.02 A 27 LYS HDy H 1 1.52 0.02 A 27 LYS HEx H 1 2.77 0.02 A 27 LYS HEy H 1 2.83 0.02 A 27 LYS HGx H 1 0.54 0.02 A 27 LYS HGy H 1 0.82 0.02 A 27 LYS C C 13 175.3 0.2 A 27 LYS CA C 13 55.1 0.2 A 27 LYS CB C 13 34.4 0.2 A 27 LYS CD C 13 29.4 0.2 A 27 LYS CE C 13 41.8 0.2 A 27 LYS CG C 13 24.5 0.2 A 27 LYS N N 15 125.9 0.2 A 28 LYS H H 1 8.88 0.02 A 28 LYS HA H 1 4.57 0.02 A 28 LYS HBx H 1 1.58 0.02 A 28 LYS HBy H 1 1.71 0.02 A 28 LYS HDx H 1 1.57 0.02 A 28 LYS HDy H 1 1.57 0.02 A 28 LYS HEx H 1 2.83 0.02 A 28 LYS HEy H 1 2.86 0.02 A 28 LYS HGx H 1 1.25 0.02 A 28 LYS HGy H 1 1.25 0.02 A 28 LYS C C 13 174.5 0.2 A 28 LYS CA C 13 54.6 0.2 A 28 LYS CB C 13 35.3 0.2 A 28 LYS CD C 13 28.7 0.2 A 28 LYS CE C 13 41.6 0.2 A 28 LYS CG C 13 24.7 0.2 A 28 LYS N N 15 127.4 0.2 A 29 GLU H H 1 8.44 0.02 A 29 GLU HA H 1 5.26 0.02 A 29 GLU HBx H 1 1.82 0.02 A 29 GLU HBy H 1 1.82 0.02 A 29 GLU HGx H 1 2.14 0.02 A 29 GLU HGy H 1 2.14 0.02 A 29 GLU C C 13 175.8 0.2 A 29 GLU CA C 13 54.8 0.2 A 29 GLU CB C 13 31.5 0.2 A 29 GLU CG C 13 35.5 0.2 A 29 GLU N N 15 122.2 0.2 A 30 TYR H H 1 8.96 0.02 A 30 TYR HA H 1 4.82 0.02 A 30 TYR HBx H 1 2.91 0.02 A 30 TYR HBy H 1 2.91 0.02 A 30 TYR HDx H 1 6.88 0.02 A 30 TYR HDy H 1 6.88 0.02 A 30 TYR HEx H 1 6.58 0.02 A 30 TYR HEy H 1 6.58 0.02 A 30 TYR C C 13 172.6 0.2 A 30 TYR CA C 13 56.3 0.2 A 30 TYR CB C 13 40.5 0.2 A 30 TYR CDx C 13 134.0 0.02 A 30 TYR CDy C 13 134.0 0.02 A 30 TYR CEx C 13 117.5 0.02 A 30 TYR CEy C 13 117.5 0.02 A 30 TYR N N 15 121.1 0.2 A 31 GLU H H 1 8.61 0.02 A 31 GLU HA H 1 4.81 0.02 A 31 GLU HBx H 1 1.86 0.02 A 31 GLU HBy H 1 1.93 0.02 A 31 GLU HGx H 1 2.16 0.02 A 31 GLU HGy H 1 2.20 0.02 A 31 GLU C C 13 176.1 0.2 A 31 GLU CA C 13 55.1 0.2 A 31 GLU CB C 13 30.3 0.2 A 31 GLU CG C 13 34.4 0.2 A 31 GLU N N 15 121.8 0.2 A 32 SER H H 1 8.57 0.02 A 32 SER HA H 1 4.52 0.02 A 32 SER HBx H 1 3.50 0.02 A 32 SER HBy H 1 3.72 0.02 A 32 SER C C 13 174.3 0.2 A 32 SER CA C 13 57.3 0.2 A 32 SER CB C 13 64.1 0.2 A 32 SER N N 15 118.5 0.2 A 33 ASP H H 1 9.29 0.02 A 33 ASP HA H 1 4.34 0.02 A 33 ASP HBx H 1 2.64 0.02 A 33 ASP HBy H 1 2.95 0.02 A 33 ASP C C 13 175.9 0.2 A 33 ASP CA C 13 55.0 0.2 A 33 ASP CB C 13 39.3 0.2 A 33 ASP N N 15 125.7 0.2 A 34 GLY H H 1 8.69 0.02 A 34 GLY HAx H 1 3.66 0.02 A 34 GLY HAy H 1 4.14 0.02 A 34 GLY C C 13 174.2 0.2 A 34 GLY CA C 13 45.6 0.2 A 34 GLY N N 15 104.8 0.2 A 35 THR H H 1 7.84 0.02 A 35 THR HA H 1 4.66 0.02 A 35 THR HB H 1 4.09 0.02 A 35 THR HG2% H 1 1.14 0.02 A 35 THR C C 13 173.0 0.2 A 35 THR CA C 13 60.2 0.2 A 35 THR CB C 13 71.2 0.2 A 35 THR CG2 C 13 20.8 0.2 A 35 THR N N 15 114.8 0.2 A 36 THR H H 1 8.48 0.02 A 36 THR HA H 1 4.62 0.02 A 36 THR HB H 1 3.88 0.02 A 36 THR HG2% H 1 1.04 0.02 A 36 THR C C 13 173.8 0.2 A 36 THR CA C 13 62.3 0.2 A 36 THR CB C 13 69.5 0.2 A 36 THR CG2 C 13 21.8 0.2 A 36 THR N N 15 119.4 0.2 A 37 LYS H H 1 8.88 0.02 A 37 LYS HA H 1 4.57 0.02 A 37 LYS HBx H 1 0.91 0.02 A 37 LYS HBy H 1 1.69 0.02 A 37 LYS HDx H 1 1.57 0.02 A 37 LYS HDy H 1 1.57 0.02 A 37 LYS HEx H 1 2.87 0.02 A 37 LYS HEy H 1 2.87 0.02 A 37 LYS HGx H 1 1.24 0.02 A 37 LYS HGy H 1 1.24 0.02 A 37 LYS C C 13 174.5 0.2 A 37 LYS CA C 13 54.6 0.2 A 37 LYS CB C 13 35.5 0.2 A 37 LYS CD C 13 29.1 0.2 A 37 LYS CE C 13 42.2 0.2 A 37 LYS CG C 13 25.4 0.2 A 37 LYS N N 15 128.0 0.2 A 38 SER H H 1 8.37 0.02 A 38 SER HA H 1 5.25 0.02 A 38 SER HBx H 1 3.25 0.02 A 38 SER HBy H 1 3.54 0.02 A 38 SER C C 13 173.2 0.2 A 38 SER CA C 13 57.9 0.2 A 38 SER CB C 13 65.5 0.2 A 38 SER N N 15 114.3 0.2 A 39 VAL H H 1 9.02 0.02 A 39 VAL HA H 1 4.90 0.02 A 39 VAL HB H 1 1.73 0.02 A 39 VAL HG1% H 1 0.59 0.02 A 39 VAL HG2% H 1 0.36 0.02 A 39 VAL C C 13 173.2 0.2 A 39 VAL CA C 13 59.2 0.2 A 39 VAL CB C 13 34.6 0.2 A 39 VAL CG1 C 13 20.0 0.02 A 39 VAL CG2 C 13 21.5 0.02 A 39 VAL N N 15 123.6 0.2 A 40 TYR H H 1 8.90 0.02 A 40 TYR HA H 1 4.73 0.02 A 40 TYR HBx H 1 2.63 0.02 A 40 TYR HBy H 1 2.92 0.02 A 40 TYR HDx H 1 6.99 0.02 A 40 TYR HDy H 1 6.99 0.02 A 40 TYR HEx H 1 6.63 0.02 A 40 TYR HEy H 1 6.63 0.02 A 40 TYR CA C 13 56.5 0.2 A 40 TYR CB C 13 39.0 0.2 A 40 TYR CDx C 13 134.0 0.02 A 40 TYR CDy C 13 134.0 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 15 126.3 0.2 A 41 GLN H H 1 8.63 0.02 A 41 GLN HA H 1 5.33 0.02 A 41 GLN HBx H 1 1.78 0.02 A 41 GLN HBy H 1 1.92 0.02 A 41 GLN HE21 H 1 7.12 0.02 A 41 GLN HE22 H 1 6.69 0.02 A 41 GLN HGx H 1 2.08 0.02 A 41 GLN HGy H 1 2.15 0.02 A 41 GLN C C 13 175.5 0.2 A 41 GLN CA C 13 53.8 0.2 A 41 GLN CB C 13 32.1 0.2 A 41 GLN CD C 13 180.0 0.2 A 41 GLN CG C 13 34.1 0.2 A 41 GLN N N 15 122.0 0.2 A 41 GLN NE2 N 15 111.1 0.2 A 42 GLY H H 1 8.56 0.02 A 42 GLY HAx H 1 3.68 0.02 A 42 GLY HAy H 1 4.02 0.02 A 42 GLY C C 13 171.6 0.2 A 42 GLY CA C 13 47.3 0.2 A 42 GLY N N 15 113.0 0.2 A 43 TYR H H 1 9.32 0.02 A 43 TYR HA H 1 5.28 0.02 A 43 TYR HBx H 1 2.63 0.02 A 43 TYR HBy H 1 2.74 0.02 A 43 TYR HDx H 1 6.74 0.02 A 43 TYR HDy H 1 6.74 0.02 A 43 TYR HEx H 1 6.67 0.02 A 43 TYR HEy H 1 6.67 0.02 A 43 TYR C C 13 173.2 0.2 A 43 TYR CA C 13 57.6 0.2 A 43 TYR CB C 13 42.4 0.2 A 43 TYR CDx C 13 132.7 0.02 A 43 TYR CDy C 13 132.7 0.02 A 43 TYR CEx C 13 118.2 0.02 A 43 TYR CEy C 13 118.2 0.02 A 43 TYR N N 15 126.3 0.2 A 44 ILE H H 1 9.16 0.02 A 44 ILE HA H 1 5.27 0.02 A 44 ILE HB H 1 1.37 0.02 A 44 ILE HD1% H 1 0.52 0.02 A 44 ILE HG1x H 1 0.73 0.02 A 44 ILE HG1y H 1 1.21 0.02 A 44 ILE HG2% H 1 0.72 0.02 A 44 ILE C C 13 172.9 0.2 A 44 ILE CA C 13 59.0 0.2 A 44 ILE CB C 13 42.2 0.2 A 44 ILE CD1 C 13 14.0 0.2 A 44 ILE CG1 C 13 29.3 0.2 A 44 ILE CG2 C 13 16.1 0.2 A 44 ILE N N 15 117.7 0.2 A 45 GLU H H 1 8.42 0.02 A 45 GLU HA H 1 5.60 0.02 A 45 GLU HBx H 1 1.89 0.02 A 45 GLU HBy H 1 2.10 0.02 A 45 GLU HGx H 1 2.08 0.02 A 45 GLU HGy H 1 2.45 0.02 A 45 GLU C C 13 174.3 0.2 A 45 GLU CA C 13 54.0 0.2 A 45 GLU CB C 13 34.4 0.2 A 45 GLU CG C 13 35.4 0.2 A 45 GLU N N 15 123.6 0.2 A 46 ASP H H 1 8.53 0.02 A 46 ASP HA H 1 5.07 0.02 A 46 ASP HBx H 1 3.34 0.02 A 46 ASP HBy H 1 3.54 0.02 A 46 ASP C C 13 175.0 0.2 A 46 ASP CA C 13 51.8 0.2 A 46 ASP CB C 13 41.3 0.2 A 46 ASP N N 15 125.5 0.2 A 47 ASP H H 1 9.16 0.02 A 47 ASP HA H 1 4.43 0.02 A 47 ASP HBx H 1 2.69 0.02 A 47 ASP HBy H 1 2.78 0.02 A 47 ASP C C 13 176.0 0.2 A 47 ASP CA C 13 55.0 0.2 A 47 ASP CB C 13 38.9 0.2 A 47 ASP N N 15 114.2 0.2 A 48 THR H H 1 9.47 0.02 A 48 THR HA H 1 4.52 0.02 A 48 THR HB H 1 3.99 0.02 A 48 THR HG2% H 1 1.10 0.02 A 48 THR C C 13 174.5 0.2 A 48 THR CA C 13 62.6 0.2 A 48 THR CB C 13 70.4 0.2 A 48 THR CG2 C 13 22.7 0.2 A 48 THR N N 15 111.8 0.2 A 49 ALA H H 1 7.85 0.02 A 49 ALA HA H 1 4.44 0.02 A 49 ALA HB% H 1 1.33 0.02 A 49 ALA C C 13 173.2 0.2 A 49 ALA CA C 13 52.7 0.2 A 49 ALA CB C 13 21.3 0.2 A 49 ALA N N 15 123.4 0.2 A 50 ARG H H 1 8.16 0.02 A 50 ARG HA H 1 5.35 0.02 A 50 ARG HBx H 1 1.59 0.02 A 50 ARG HBy H 1 1.69 0.02 A 50 ARG HDx H 1 2.66 0.02 A 50 ARG HDy H 1 2.72 0.02 A 50 ARG HE H 1 6.47 0.02 A 50 ARG HGx H 1 1.45 0.02 A 50 ARG HGy H 1 1.45 0.02 A 50 ARG C C 13 174.7 0.2 A 50 ARG CA C 13 54.0 0.2 A 50 ARG CB C 13 34.5 0.2 A 50 ARG CD C 13 43.4 0.2 A 50 ARG CG C 13 26.9 0.2 A 50 ARG CZ C 13 159.1 0.2 A 50 ARG N N 15 117.4 0.2 A 50 ARG NE N 15 83.0 0.2 A 51 ILE H H 1 9.39 0.02 A 51 ILE HA H 1 4.79 0.02 A 51 ILE HB H 1 1.53 0.02 A 51 ILE HD1% H 1 0.69 0.02 A 51 ILE HG1x H 1 1.63 0.02 A 51 ILE HG1y H 1 1.73 0.02 A 51 ILE HG2% H 1 0.78 0.02 A 51 ILE C C 13 172.6 0.2 A 51 ILE CA C 13 60.0 0.2 A 51 ILE CB C 13 42.8 0.2 A 51 ILE CD1 C 13 14.1 0.2 A 51 ILE CG1 C 13 28.5 0.2 A 51 ILE CG2 C 13 17.1 0.2 A 51 ILE N N 15 124.6 0.2 A 52 ARG H H 1 7.98 0.02 A 52 ARG HA H 1 4.17 0.02 A 52 ARG HBx H 1 1.65 0.02 A 52 ARG HBy H 1 1.65 0.02 A 52 ARG HDx H 1 2.75 0.02 A 52 ARG HDy H 1 2.75 0.02 A 52 ARG HE H 1 6.84 0.02 A 52 ARG HGx H 1 1.14 0.02 A 52 ARG HGy H 1 1.61 0.02 A 52 ARG C C 13 174.6 0.2 A 52 ARG CA C 13 57.1 0.2 A 52 ARG CB C 13 31.3 0.2 A 52 ARG CD C 13 43.5 0.2 A 52 ARG CG C 13 29.0 0.2 A 52 ARG CZ C 13 158.9 0.2 A 52 ARG N N 15 125.9 0.2 A 52 ARG NE N 15 84.8 0.2 A 53 ILE H H 1 8.29 0.02 A 53 ILE HA H 1 5.16 0.02 A 53 ILE HB H 1 1.42 0.02 A 53 ILE HD1% H 1 0.45 0.02 A 53 ILE HG1x H 1 0.52 0.02 A 53 ILE HG1y H 1 1.36 0.02 A 53 ILE HG2% H 1 0.56 0.02 A 53 ILE C C 13 172.4 0.2 A 53 ILE CA C 13 58.6 0.2 A 53 ILE CB C 13 41.9 0.2 A 53 ILE CD1 C 13 14.6 0.2 A 53 ILE CG1 C 13 28.9 0.2 A 53 ILE CG2 C 13 15.0 0.2 A 53 ILE N N 15 118.5 0.2 A 54 SER H H 1 8.35 0.02 A 54 SER HA H 1 5.07 0.02 A 54 SER HBx H 1 3.16 0.02 A 54 SER HBy H 1 3.55 0.02 A 54 SER C C 13 172.4 0.2 A 54 SER CA C 13 57.0 0.2 A 54 SER CB C 13 65.9 0.2 A 54 SER N N 15 120.7 0.2 A 55 SER H H 1 9.13 0.02 A 55 SER HA H 1 5.27 0.02 A 55 SER HBx H 1 3.32 0.02 A 55 SER HBy H 1 3.92 0.02 A 55 SER HG H 1 6.13 0.02 A 55 SER C C 13 174.4 0.2 A 55 SER CA C 13 55.5 0.2 A 55 SER CB C 13 64.5 0.2 A 55 SER N N 15 117.2 0.2 A 56 PHE H H 1 8.97 0.02 A 56 PHE HA H 1 4.60 0.02 A 56 PHE HBx H 1 3.14 0.02 A 56 PHE HBy H 1 3.18 0.02 A 56 PHE HDx H 1 7.17 0.02 A 56 PHE HDy H 1 7.17 0.02 A 56 PHE HEx H 1 7.10 0.02 A 56 PHE HEy H 1 7.10 0.02 A 56 PHE HZ H 1 7.06 0.02 A 56 PHE C C 13 176.5 0.2 A 56 PHE CA C 13 58.3 0.2 A 56 PHE CB C 13 37.9 0.2 A 56 PHE CDx C 13 132.1 0.02 A 56 PHE CDy C 13 132.1 0.02 A 56 PHE CEx C 13 131.3 0.02 A 56 PHE CEy C 13 131.3 0.02 A 56 PHE CZ C 13 129.5 0.2 A 56 PHE N N 15 129.4 0.2 A 57 GLY H H 1 8.57 0.02 A 57 GLY HAx H 1 4.02 0.02 A 57 GLY HAy H 1 4.38 0.02 A 57 GLY C C 13 173.7 0.2 A 57 GLY CA C 13 46.3 0.2 A 57 GLY N N 15 112.5 0.2 A 58 LYS H H 1 6.80 0.02 A 58 LYS HA H 1 4.41 0.02 A 58 LYS HBx H 1 1.47 0.02 A 58 LYS HBy H 1 1.47 0.02 A 58 LYS HDx H 1 1.44 0.02 A 58 LYS HDy H 1 1.59 0.02 A 58 LYS HEx H 1 3.00 0.02 A 58 LYS HEy H 1 3.00 0.02 A 58 LYS HGx H 1 1.28 0.02 A 58 LYS HGy H 1 1.34 0.02 A 58 LYS C C 13 174.8 0.2 A 58 LYS CA C 13 55.2 0.2 A 58 LYS CB C 13 33.3 0.2 A 58 LYS CD C 13 29.3 0.2 A 58 LYS CE C 13 42.2 0.2 A 58 LYS CG C 13 25.1 0.2 A 58 LYS N N 15 118.7 0.2 A 59 GLN H H 1 8.39 0.02 A 59 GLN HA H 1 1.83 0.02 A 59 GLN HBx H 1 1.57 0.02 A 59 GLN HBy H 1 1.57 0.02 A 59 GLN HE21 H 1 7.47 0.02 A 59 GLN HE22 H 1 6.81 0.02 A 59 GLN HGx H 1 1.79 0.02 A 59 GLN HGy H 1 1.79 0.02 A 59 GLN C C 13 174.1 0.2 A 59 GLN CA C 13 57.1 0.2 A 59 GLN CB C 13 28.9 0.2 A 59 GLN CD C 13 179.4 0.2 A 59 GLN CG C 13 33.4 0.2 A 59 GLN N N 15 124.0 0.2 A 59 GLN NE2 N 15 111.5 0.2 A 60 LEU H H 1 5.32 0.02 A 60 LEU HA H 1 4.37 0.02 A 60 LEU HBx H 1 1.17 0.02 A 60 LEU HBy H 1 1.25 0.02 A 60 LEU HD1% H 1 0.63 0.02 A 60 LEU HD2% H 1 0.80 0.02 A 60 LEU HG H 1 1.51 0.02 A 60 LEU CA C 13 52.8 0.2 A 60 LEU CB C 13 46.7 0.2 A 60 LEU CD1 C 13 26.7 0.02 A 60 LEU CD2 C 13 23.0 0.02 A 60 LEU CG C 13 26.3 0.2 A 60 LEU N N 15 121.8 0.2 A 61 GLN H H 1 8.66 0.02 A 61 GLN HA H 1 4.44 0.02 A 61 GLN HBx H 1 1.83 0.02 A 61 GLN HBy H 1 1.90 0.02 A 61 GLN HE21 H 1 7.61 0.02 A 61 GLN HE22 H 1 6.72 0.02 A 61 GLN HGx H 1 2.14 0.02 A 61 GLN HGy H 1 2.14 0.02 A 61 GLN C C 13 174.0 0.2 A 61 GLN CA C 13 53.8 0.2 A 61 GLN CB C 13 31.8 0.2 A 61 GLN CD C 13 180.6 0.2 A 61 GLN CG C 13 33.9 0.2 A 61 GLN N N 15 120.3 0.2 A 61 GLN NE2 N 15 112.3 0.2 A 62 ASP H H 1 8.45 0.02 A 62 ASP HA H 1 4.13 0.02 A 62 ASP HBx H 1 2.55 0.02 A 62 ASP HBy H 1 2.75 0.02 A 62 ASP C C 13 177.2 0.2 A 62 ASP CA C 13 55.7 0.2 A 62 ASP CB C 13 39.4 0.2 A 62 ASP N N 15 122.4 0.2 A 63 SER H H 1 9.21 0.02 A 63 SER HA H 1 3.85 0.02 A 63 SER HBx H 1 4.00 0.02 A 63 SER HBy H 1 4.30 0.02 A 63 SER C C 13 173.2 0.2 A 63 SER CA C 13 61.7 0.2 A 63 SER CB C 13 61.8 0.2 A 63 SER N N 15 114.3 0.2 A 64 ASP H H 1 7.96 0.02 A 64 ASP HA H 1 4.54 0.02 A 64 ASP HBx H 1 2.54 0.02 A 64 ASP HBy H 1 2.75 0.02 A 64 ASP C C 13 174.9 0.2 A 64 ASP CA C 13 54.9 0.2 A 64 ASP CB C 13 40.9 0.2 A 64 ASP N N 15 122.6 0.2 A 65 VAL H H 1 8.18 0.02 A 65 VAL HA H 1 4.67 0.02 A 65 VAL HB H 1 2.03 0.02 A 65 VAL HG1% H 1 0.71 0.02 A 65 VAL HG2% H 1 0.89 0.02 A 65 VAL C C 13 175.9 0.2 A 65 VAL CA C 13 62.3 0.2 A 65 VAL CB C 13 31.7 0.2 A 65 VAL CG1 C 13 21.2 0.02 A 65 VAL CG2 C 13 21.6 0.02 A 65 VAL N N 15 123.1 0.2 A 66 VAL H H 1 8.77 0.02 A 66 VAL HA H 1 5.16 0.02 A 66 VAL HB H 1 1.85 0.02 A 66 VAL HG1% H 1 0.71 0.02 A 66 VAL HG2% H 1 0.69 0.02 A 66 VAL C C 13 173.6 0.2 A 66 VAL CA C 13 58.1 0.2 A 66 VAL CB C 13 35.7 0.2 A 66 VAL CG1 C 13 22.1 0.02 A 66 VAL CG2 C 13 18.7 0.02 A 66 VAL N N 15 118.1 0.2 A 67 ARG H H 1 8.88 0.02 A 67 ARG HA H 1 5.11 0.02 A 67 ARG HBx H 1 1.42 0.02 A 67 ARG HBy H 1 1.71 0.02 A 67 ARG HDx H 1 2.97 0.02 A 67 ARG HDy H 1 3.05 0.02 A 67 ARG HE H 1 8.24 0.02 A 67 ARG HGx H 1 1.22 0.02 A 67 ARG HGy H 1 1.32 0.02 A 67 ARG C C 13 175.3 0.2 A 67 ARG CA C 13 54.2 0.2 A 67 ARG CB C 13 32.2 0.2 A 67 ARG CD C 13 43.3 0.2 A 67 ARG CG C 13 28.3 0.2 A 67 ARG CZ C 13 159.3 0.2 A 67 ARG N N 15 120.2 0.2 A 67 ARG NE N 15 87.7 0.2 A 68 ILE H H 1 9.22 0.02 A 68 ILE HA H 1 4.99 0.02 A 68 ILE HB H 1 1.65 0.02 A 68 ILE HD1% H 1 0.56 0.02 A 68 ILE HG1x H 1 0.93 0.02 A 68 ILE HG1y H 1 1.30 0.02 A 68 ILE HG2% H 1 0.78 0.02 A 68 ILE C C 13 174.9 0.2 A 68 ILE CA C 13 58.6 0.2 A 68 ILE CB C 13 39.3 0.2 A 68 ILE CD1 C 13 14.0 0.2 A 68 ILE CG1 C 13 27.2 0.2 A 68 ILE CG2 C 13 18.7 0.2 A 68 ILE N N 15 127.2 0.2 A 69 ASP H H 1 9.11 0.02 A 69 ASP HA H 1 5.37 0.02 A 69 ASP HBx H 1 2.42 0.02 A 69 ASP HBy H 1 2.60 0.02 A 69 ASP C C 13 175.8 0.2 A 69 ASP CA C 13 52.4 0.2 A 69 ASP CB C 13 43.7 0.2 A 69 ASP N N 15 123.4 0.2 A 70 ASN H H 1 8.30 0.02 A 70 ASN HA H 1 4.16 0.02 A 70 ASN HBx H 1 2.55 0.02 A 70 ASN HBy H 1 3.23 0.02 A 70 ASN HD21 H 1 7.23 0.02 A 70 ASN HD22 H 1 6.58 0.02 A 70 ASN C C 13 176.3 0.2 A 70 ASN CA C 13 54.3 0.2 A 70 ASN CB C 13 37.5 0.2 A 70 ASN CG C 13 177.5 0.2 A 70 ASN N N 15 119.8 0.2 A 70 ASN ND2 N 15 111.7 0.2 A 71 ALA H H 1 9.10 0.02 A 71 ALA HA H 1 4.50 0.02 A 71 ALA HB% H 1 1.19 0.02 A 71 ALA C C 13 175.7 0.2 A 71 ALA CA C 13 51.9 0.2 A 71 ALA CB C 13 19.6 0.2 A 71 ALA N N 15 123.0 0.2 A 72 ARG H H 1 8.49 0.02 A 72 ARG HA H 1 4.72 0.02 A 72 ARG HBx H 1 1.70 0.02 A 72 ARG HBy H 1 1.82 0.02 A 72 ARG HDx H 1 2.97 0.02 A 72 ARG HDy H 1 3.08 0.02 A 72 ARG HE H 1 7.03 0.02 A 72 ARG HGx H 1 1.24 0.02 A 72 ARG HGy H 1 1.35 0.02 A 72 ARG C C 13 175.8 0.2 A 72 ARG CA C 13 54.4 0.2 A 72 ARG CB C 13 32.7 0.2 A 72 ARG CD C 13 43.2 0.2 A 72 ARG CG C 13 27.4 0.2 A 72 ARG CZ C 13 159.4 0.2 A 72 ARG N N 15 122.5 0.2 A 72 ARG NE N 15 84.7 0.2 A 73 VAL H H 1 8.31 0.02 A 73 VAL HA H 1 4.25 0.02 A 73 VAL HB H 1 1.82 0.02 A 73 VAL HG1% H 1 0.62 0.02 A 73 VAL HG2% H 1 0.79 0.02 A 73 VAL C C 13 174.6 0.2 A 73 VAL CA C 13 62.8 0.2 A 73 VAL CB C 13 32.1 0.2 A 73 VAL CG1 C 13 22.0 0.02 A 73 VAL CG2 C 13 23.3 0.02 A 73 VAL N N 15 127.1 0.2 A 74 ALA H H 1 8.88 0.02 A 74 ALA HA H 1 4.50 0.02 A 74 ALA HB% H 1 1.11 0.02 A 74 ALA C C 13 174.8 0.2 A 74 ALA CA C 13 50.5 0.2 A 74 ALA CB C 13 22.5 0.2 A 74 ALA N N 15 131.0 0.2 A 75 GLN H H 1 8.28 0.02 A 75 GLN HA H 1 4.91 0.02 A 75 GLN HBx H 1 1.72 0.02 A 75 GLN HBy H 1 1.82 0.02 A 75 GLN HE21 H 1 7.29 0.02 A 75 GLN HE22 H 1 6.69 0.02 A 75 GLN HGx H 1 2.00 0.02 A 75 GLN HGy H 1 2.00 0.02 A 75 GLN C C 13 175.1 0.2 A 75 GLN CA C 13 54.6 0.2 A 75 GLN CB C 13 31.4 0.2 A 75 GLN CD C 13 179.6 0.2 A 75 GLN CG C 13 34.0 0.2 A 75 GLN N N 15 118.8 0.2 A 75 GLN NE2 N 15 111.2 0.2 A 76 PHE H H 1 8.71 0.02 A 76 PHE HA H 1 4.66 0.02 A 76 PHE HBx H 1 2.72 0.02 A 76 PHE HBy H 1 2.87 0.02 A 76 PHE HDx H 1 7.14 0.02 A 76 PHE HDy H 1 7.14 0.02 A 76 PHE HEx H 1 7.24 0.02 A 76 PHE HEy H 1 7.24 0.02 A 76 PHE HZ H 1 7.22 0.02 A 76 PHE C C 13 174.9 0.2 A 76 PHE CA C 13 57.0 0.2 A 76 PHE CB C 13 41.0 0.2 A 76 PHE CDx C 13 131.8 0.02 A 76 PHE CDy C 13 131.8 0.02 A 76 PHE CEx C 13 131.5 0.02 A 76 PHE CEy C 13 131.5 0.02 A 76 PHE CZ C 13 129.5 0.2 A 76 PHE N N 15 125.0 0.2 A 77 ASN H H 1 9.04 0.02 A 77 ASN HA H 1 4.17 0.02 A 77 ASN HBx H 1 2.44 0.02 A 77 ASN HBy H 1 2.99 0.02 A 77 ASN HD21 H 1 7.29 0.02 A 77 ASN HD22 H 1 6.78 0.02 A 77 ASN C C 13 174.2 0.2 A 77 ASN CA C 13 53.8 0.2 A 77 ASN CB C 13 37.4 0.2 A 77 ASN CG C 13 177.7 0.2 A 77 ASN N N 15 123.2 0.2 A 77 ASN ND2 N 15 112.1 0.2 A 78 GLY H H 1 8.37 0.02 A 78 GLY HAx H 1 3.41 0.02 A 78 GLY HAy H 1 3.98 0.02 A 78 GLY C C 13 173.8 0.2 A 78 GLY CA C 13 45.0 0.2 A 78 GLY N N 15 103.3 0.2 A 79 TYR H H 1 7.67 0.02 A 79 TYR HA H 1 4.86 0.02 A 79 TYR HBx H 1 2.98 0.02 A 79 TYR HBy H 1 3.10 0.02 A 79 TYR HDx H 1 7.09 0.02 A 79 TYR HDy H 1 7.09 0.02 A 79 TYR HEx H 1 6.76 0.02 A 79 TYR HEy H 1 6.76 0.02 A 79 TYR C C 13 174.8 0.2 A 79 TYR CA C 13 56.3 0.2 A 79 TYR CB C 13 40.8 0.2 A 79 TYR CDx C 13 133.8 0.02 A 79 TYR CDy C 13 133.8 0.02 A 79 TYR CEx C 13 117.8 0.02 A 79 TYR CEy C 13 117.8 0.02 A 79 TYR N N 15 118.7 0.2 A 80 LEU H H 1 8.76 0.02 A 80 LEU HA H 1 4.83 0.02 A 80 LEU HBx H 1 1.34 0.02 A 80 LEU HBy H 1 1.73 0.02 A 80 LEU HD1% H 1 0.78 0.02 A 80 LEU HD2% H 1 0.71 0.02 A 80 LEU HG H 1 1.66 0.02 A 80 LEU C C 13 176.2 0.2 A 80 LEU CA C 13 54.7 0.2 A 80 LEU CB C 13 43.5 0.2 A 80 LEU CD1 C 13 25.5 0.02 A 80 LEU CD2 C 13 24.0 0.02 A 80 LEU CG C 13 27.0 0.2 A 80 LEU N N 15 122.6 0.2 A 81 SER H H 1 8.65 0.02 A 81 SER HA H 1 4.86 0.02 A 81 SER HBx H 1 3.49 0.02 A 81 SER HBy H 1 3.55 0.02 A 81 SER C C 13 172.6 0.2 A 81 SER CA C 13 56.6 0.2 A 81 SER CB C 13 66.3 0.2 A 81 SER N N 15 114.7 0.2 A 82 LEU H H 1 8.68 0.02 A 82 LEU HA H 1 5.19 0.02 A 82 LEU HBx H 1 0.98 0.02 A 82 LEU HBy H 1 1.68 0.02 A 82 LEU HD1% H 1 0.60 0.02 A 82 LEU HD2% H 1 0.65 0.02 A 82 LEU HG H 1 1.69 0.02 A 82 LEU C C 13 177.1 0.2 A 82 LEU CA C 13 53.3 0.2 A 82 LEU CB C 13 43.8 0.2 A 82 LEU CD1 C 13 26.7 0.02 A 82 LEU CD2 C 13 24.0 0.02 A 82 LEU CG C 13 26.6 0.2 A 82 LEU N N 15 119.8 0.2 A 83 SER H H 1 9.56 0.02 A 83 SER HA H 1 5.39 0.02 A 83 SER HBx H 1 3.67 0.02 A 83 SER HBy H 1 3.83 0.02 A 83 SER C C 13 174.2 0.2 A 83 SER CA C 13 57.1 0.2 A 83 SER CB C 13 64.4 0.2 A 83 SER N N 15 119.0 0.2 A 84 VAL H H 1 9.15 0.02 A 84 VAL HA H 1 4.49 0.02 A 84 VAL HB H 1 2.29 0.02 A 84 VAL HG1% H 1 0.98 0.02 A 84 VAL HG2% H 1 0.89 0.02 A 84 VAL C C 13 174.7 0.2 A 84 VAL CA C 13 61.3 0.2 A 84 VAL CB C 13 33.0 0.2 A 84 VAL CG1 C 13 22.0 0.02 A 84 VAL CG2 C 13 21.6 0.02 A 84 VAL N N 15 128.3 0.2 A 85 GLY H H 1 7.97 0.02 A 85 GLY HAx H 1 4.03 0.02 A 85 GLY HAy H 1 4.84 0.02 A 85 GLY C C 13 175.8 0.2 A 85 GLY CA C 13 44.8 0.2 A 85 GLY N N 15 114.3 0.2 A 86 ASP H H 1 8.86 0.02 A 86 ASP HA H 1 4.37 0.02 A 86 ASP HBx H 1 2.72 0.02 A 86 ASP HBy H 1 2.77 0.02 A 86 ASP C C 13 177.4 0.2 A 86 ASP CA C 13 57.4 0.2 A 86 ASP CB C 13 40.6 0.2 A 86 ASP N N 15 122.5 0.2 A 87 SER H H 1 8.54 0.02 A 87 SER HA H 1 4.62 0.02 A 87 SER HBx H 1 3.89 0.02 A 87 SER HBy H 1 4.04 0.02 A 87 SER C C 13 174.7 0.2 A 87 SER CA C 13 58.2 0.2 A 87 SER CB C 13 63.3 0.2 A 87 SER N N 15 112.1 0.2 A 88 SER H H 1 7.88 0.02 A 88 SER HA H 1 5.05 0.02 A 88 SER HBx H 1 3.89 0.02 A 88 SER HBy H 1 3.89 0.02 A 88 SER C C 13 172.7 0.2 A 88 SER CA C 13 57.6 0.2 A 88 SER CB C 13 64.3 0.2 A 88 SER N N 15 119.2 0.2 A 89 ARG H H 1 8.35 0.02 A 89 ARG HA H 1 4.72 0.02 A 89 ARG HBx H 1 1.73 0.02 A 89 ARG HBy H 1 1.82 0.02 A 89 ARG HDx H 1 3.16 0.02 A 89 ARG HDy H 1 3.16 0.02 A 89 ARG HE H 1 7.23 0.02 A 89 ARG HGx H 1 1.50 0.02 A 89 ARG HGy H 1 1.63 0.02 A 89 ARG C C 13 174.2 0.2 A 89 ARG CA C 13 55.0 0.2 A 89 ARG CB C 13 33.5 0.2 A 89 ARG CD C 13 43.2 0.2 A 89 ARG CG C 13 27.2 0.2 A 89 ARG CZ C 13 159.5 0.2 A 89 ARG N N 15 122.8 0.2 A 89 ARG NE N 15 84.6 0.2 A 90 ILE H H 1 8.53 0.02 A 90 ILE HA H 1 4.79 0.02 A 90 ILE HB H 1 1.56 0.02 A 90 ILE HD1% H 1 0.70 0.02 A 90 ILE HG1x H 1 0.79 0.02 A 90 ILE HG1y H 1 1.37 0.02 A 90 ILE HG2% H 1 0.71 0.02 A 90 ILE C C 13 175.4 0.2 A 90 ILE CA C 13 60.6 0.2 A 90 ILE CB C 13 40.6 0.2 A 90 ILE CD1 C 13 14.7 0.2 A 90 ILE CG1 C 13 27.3 0.2 A 90 ILE CG2 C 13 17.5 0.2 A 90 ILE N N 15 123.1 0.2 A 91 GLU H H 1 9.00 0.02 A 91 GLU HA H 1 4.73 0.02 A 91 GLU HBx H 1 1.89 0.02 A 91 GLU HBy H 1 2.03 0.02 A 91 GLU HGx H 1 2.25 0.02 A 91 GLU HGy H 1 2.30 0.02 A 91 GLU C C 13 175.1 0.2 A 91 GLU CA C 13 54.3 0.2 A 91 GLU CB C 13 32.4 0.2 A 91 GLU CG C 13 34.0 0.2 A 91 GLU N N 15 126.4 0.2 A 92 SER H H 1 8.83 0.02 A 92 SER HA H 1 4.70 0.02 A 92 SER HBx H 1 3.81 0.02 A 92 SER HBy H 1 3.90 0.02 A 92 SER C C 13 174.6 0.2 A 92 SER CA C 13 59.3 0.2 A 92 SER CB C 13 63.1 0.2 A 92 SER N N 15 119.8 0.2 A 93 VAL H H 1 8.35 0.02 A 93 VAL HA H 1 4.29 0.02 A 93 VAL HB H 1 1.93 0.02 A 93 VAL HG1% H 1 0.82 0.02 A 93 VAL HG2% H 1 0.76 0.02 A 93 VAL C C 13 175.1 0.2 A 93 VAL CA C 13 61.3 0.2 A 93 VAL CB C 13 33.9 0.2 A 93 VAL CG1 C 13 21.6 0.02 A 93 VAL CG2 C 13 20.4 0.02 A 93 VAL N N 15 121.8 0.2 A 94 ASN H H 1 8.51 0.02 A 94 ASN HA H 1 4.77 0.02 A 94 ASN HBx H 1 2.67 0.02 A 94 ASN HBy H 1 2.80 0.02 A 94 ASN HD21 H 1 7.58 0.02 A 94 ASN HD22 H 1 6.89 0.02 A 94 ASN C C 13 175.0 0.2 A 94 ASN CA C 13 52.7 0.2 A 94 ASN CB C 13 38.5 0.2 A 94 ASN CG C 13 177.0 0.2 A 94 ASN N N 15 121.8 0.2 A 94 ASN ND2 N 15 112.6 0.2 A 95 VAL H H 1 7.86 0.02 A 95 VAL HA H 1 4.10 0.02 A 95 VAL HB H 1 2.00 0.02 A 95 VAL HG1% H 1 0.85 0.02 A 95 VAL HG2% H 1 0.83 0.02 A 95 VAL C C 13 175.1 0.2 A 95 VAL CA C 13 61.7 0.2 A 95 VAL CB C 13 33.1 0.2 A 95 VAL CG1 C 13 21.2 0.02 A 95 VAL CG2 C 13 20.0 0.02 A 95 VAL N N 15 119.7 0.2 A 96 ASN H H 1 8.49 0.02 A 96 ASN HA H 1 4.70 0.02 A 96 ASN HBx H 1 2.71 0.02 A 96 ASN HBy H 1 2.71 0.02 A 96 ASN HD21 H 1 7.58 0.02 A 96 ASN HD22 H 1 6.88 0.02 A 96 ASN C C 13 174.6 0.2 A 96 ASN CA C 13 53.0 0.2 A 96 ASN CB C 13 39.0 0.2 A 96 ASN CG C 13 176.9 0.2 A 96 ASN N N 15 122.2 0.2 A 96 ASN ND2 N 15 113.2 0.2 A 97 ILE H H 1 8.08 0.02 A 97 ILE HA H 1 4.37 0.02 A 97 ILE HB H 1 1.82 0.02 A 97 ILE HD1% H 1 0.80 0.02 A 97 ILE HG1x H 1 1.11 0.02 A 97 ILE HG1y H 1 1.42 0.02 A 97 ILE HG2% H 1 0.86 0.02 A 97 ILE CA C 13 58.6 0.2 A 97 ILE CB C 13 38.6 0.2 A 97 ILE CD1 C 13 12.7 0.2 A 97 ILE CG1 C 13 26.9 0.2 A 97 ILE CG2 C 13 17.0 0.2 A 97 ILE N N 15 123.5 0.2 A 98 PRO HA H 1 4.36 0.02 A 98 PRO HBx H 1 1.85 0.02 A 98 PRO HBy H 1 2.21 0.02 A 98 PRO HDx H 1 3.63 0.02 A 98 PRO HDy H 1 3.79 0.02 A 98 PRO HGx H 1 1.93 0.02 A 98 PRO HGy H 1 2.00 0.02 A 98 PRO C C 13 176.6 0.2 A 98 PRO CA C 13 63.1 0.2 A 98 PRO CB C 13 31.8 0.2 A 98 PRO CD C 13 50.9 0.2 A 98 PRO CG C 13 27.3 0.2 A 99 LEU H H 1 8.20 0.02 A 99 LEU HA H 1 4.20 0.02 A 99 LEU HBx H 1 1.42 0.02 A 99 LEU HBy H 1 1.53 0.02 A 99 LEU HD1% H 1 0.84 0.02 A 99 LEU HD2% H 1 0.78 0.02 A 99 LEU HG H 1 1.56 0.02 A 99 LEU C C 13 177.3 0.2 A 99 LEU CA C 13 55.0 0.2 A 99 LEU CB C 13 42.4 0.2 A 99 LEU CD1 C 13 25.0 0.02 A 99 LEU CD2 C 13 23.4 0.02 A 99 LEU CG C 13 26.9 0.2 A 99 LEU N N 15 122.5 0.2 A 100 GLU H H 1 8.25 0.02 A 100 GLU HA H 1 4.14 0.02 A 100 GLU HBx H 1 1.83 0.02 A 100 GLU HBy H 1 1.83 0.02 A 100 GLU HGx H 1 2.14 0.02 A 100 GLU HGy H 1 2.18 0.02 A 100 GLU C C 13 176.1 0.2 A 100 GLU CA C 13 56.1 0.2 A 100 GLU CB C 13 29.9 0.2 A 100 GLU CG C 13 35.2 0.2 A 100 GLU N N 15 121.0 0.2 A 101 HIS H H 1 8.54 0.02 A 101 HIS HA H 1 4.60 0.02 A 101 HIS HBx H 1 3.03 0.02 A 101 HIS HBy H 1 3.13 0.02 A 101 HIS C C 13 174.2 0.2 A 101 HIS CA C 13 55.2 0.2 A 101 HIS CB C 13 29.0 0.2 A 101 HIS N N 15 119.4 0.2 A 102 HIS H H 1 8.66 0.02 A 102 HIS HA H 1 4.63 0.02 A 102 HIS HBx H 1 3.14 0.02 A 102 HIS HBy H 1 3.14 0.02 A 102 HIS C C 13 174.2 0.2 A 102 HIS CA C 13 55.2 0.2 A 102 HIS CB C 13 29.1 0.2 A 102 HIS N N 15 119.7 0.2 A 103 HIS H H 1 8.68 0.02 A 103 HIS HA H 1 4.64 0.02 A 103 HIS HBx H 1 3.14 0.02 A 103 HIS HBy H 1 3.14 0.02 A 103 HIS C C 13 174.2 0.2 A 103 HIS CA C 13 55.2 0.2 A 103 HIS CB C 13 29.2 0.2 A 103 HIS N N 15 120.5 0.2 A 104 HIS H H 1 8.58 0.02 A 104 HIS HA H 1 4.59 0.02 A 104 HIS HBx H 1 3.09 0.02 A 104 HIS HBy H 1 3.09 0.02 A 104 HIS C C 13 174.2 0.2 A 104 HIS CA C 13 55.2 0.2 A 104 HIS CB C 13 29.3 0.2 A 104 HIS N N 15 120.7 0.2 A 105 HIS H H 1 8.55 0.02 A 105 HIS HA H 1 4.61 0.02 A 105 HIS HBx H 1 3.20 0.02 A 105 HIS HBy H 1 3.20 0.02 A 105 HIS C C 13 173.5 0.2 A 105 HIS CA C 13 55.4 0.2 A 105 HIS CB C 13 28.8 0.2 A 105 HIS N N 15 119.0 0.2 A 106 HIS H H 1 8.41 0.02 A 106 HIS HA H 1 4.61 0.02 A 106 HIS HBx H 1 3.18 0.02 A 106 HIS HBy H 1 3.18 0.02 A 106 HIS CA C 13 57.1 0.2 A 106 HIS CB C 13 29.4 0.2 A 106 HIS N N 15 125.7 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 1 SER HA A 15 TYR HBy 1.0 1.8 5.76 2 2 A 1 SER HA A 15 TYR HBx 1.0 1.8 5.01 3 3 A 1 SER HA A 16 VAL HA 1.0 1.8 5.29 4 4 A 1 SER HA A 2 ASP H 1.0 1.8 3.47 5 5 A 15 TYR HBy A 1 SER HBx 1.0 1.8 4.65 6 5 A 1 SER HBy A 15 TYR HBy 1.0 1.8 4.65 7 6 A 1 SER HBy A 15 TYR HBx 1.0 1.8 5.38 8 6 A 1 SER HBx A 15 TYR HBx 1.0 1.8 5.38 9 7 A 16 VAL HA A 1 SER HBx 1.0 1.8 4.07 10 7 A 16 VAL HA A 1 SER HBy 1.0 1.8 4.07 11 8 A 16 VAL H A 1 SER HBx 1.0 1.8 5.81 12 8 A 1 SER HBy A 16 VAL H 1.0 1.8 5.81 13 9 A 2 ASP H A 1 SER HBx 1.0 1.8 4.04 14 9 A 2 ASP H A 1 SER HBy 1.0 1.8 4.04 15 10 A 70 ASN HA A 1 SER HBx 1.0 1.8 4.65 16 10 A 1 SER HBy A 70 ASN HA 1.0 1.8 4.65 17 11 A 1 SER HBx A 70 ASN HBy 1.0 1.8 5.87 18 11 A 1 SER HBy A 70 ASN HBy 1.0 1.8 5.87 19 11 A 70 ASN HBx A 1 SER HBx 1.0 1.8 5.87 20 11 A 1 SER HBy A 70 ASN HBx 1.0 1.8 5.87 21 12 A 70 ASN HD21 A 1 SER HBx 1.0 1.8 5.87 22 12 A 70 ASN HD22 A 1 SER HBx 1.0 1.8 5.87 23 12 A 1 SER HBy A 70 ASN HD21 1.0 1.8 5.87 24 12 A 1 SER HBy A 70 ASN HD22 1.0 1.8 5.87 25 13 A 70 ASN H A 1 SER HBx 1.0 1.8 4.81 26 13 A 1 SER HBy A 70 ASN H 1.0 1.8 4.81 27 14 A 2 ASP HA A 3 LEU H 1.0 1.8 3.08 28 15 A 3 LEU H A 2 ASP HBy 1.0 1.8 4.48 29 16 A 3 LEU H A 2 ASP HBx 1.0 1.8 4.48 30 17 A 4 VAL HG1% A 2 ASP HBy 1.0 1.8 3.95 31 17 A 2 ASP HBx A 4 VAL HG1% 1.0 1.8 3.95 32 18 A 16 VAL HA A 2 ASP H 1.0 1.8 4.47 33 19 A 2 ASP H A 2 ASP HBy 1.0 1.8 4.23 34 20 A 2 ASP H A 2 ASP HBx 1.0 1.8 4.23 35 21 A 2 ASP H A 3 LEU H 1.0 1.8 5.07 36 22 A 2 ASP H A 4 VAL HG1% 1.0 1.8 4.88 37 23 A 16 VAL HA A 3 LEU HA 1.0 1.8 6.05 38 24 A 3 LEU HA A 17 SER HBy 1.0 1.8 4.25 39 25 A 3 LEU HA A 17 SER HBx 1.0 1.8 4.25 40 26 A 3 LEU HA A 17 SER H 1.0 1.8 4.33 41 27 A 3 LEU HA A 18 VAL HA 1.0 1.8 5.41 42 28 A 3 LEU HA A 3 LEU HD1% 1.0 1.8 3.95 43 29 A 3 LEU HA A 3 LEU HD2% 1.0 1.8 4.06 44 30 A 3 LEU HA A 4 VAL H 1.0 1.8 3.15 45 31 A 3 LEU HD2% A 3 LEU HBy 1.0 1.8 3.82 46 32 A 4 VAL H A 3 LEU HBy 1.0 1.8 5.24 47 33 A 3 LEU HD2% A 3 LEU HBx 1.0 1.8 3.82 48 34 A 4 VAL H A 3 LEU HBx 1.0 1.8 5.24 49 35 A 3 LEU HBy A 17 SER HBx 1.0 1.8 4.77 50 35 A 3 LEU HBx A 17 SER HBx 1.0 1.8 4.77 51 35 A 17 SER HBy A 3 LEU HBx 1.0 1.8 4.77 52 35 A 3 LEU HBy A 17 SER HBy 1.0 1.8 4.77 53 36 A 3 LEU HD1% A 3 LEU HBx 1.0 1.8 3.54 54 36 A 3 LEU HD1% A 3 LEU HBy 1.0 1.8 3.54 55 37 A 3 LEU HD1% A 17 SER HBx 1.0 1.8 5.00 56 37 A 3 LEU HD1% A 17 SER HBy 1.0 1.8 5.00 57 38 A 18 VAL HA A 3 LEU HD1% 1.0 1.8 4.03 58 39 A 3 LEU HD1% A 4 VAL H 1.0 1.8 4.00 59 40 A 3 LEU HD2% A 17 SER HBx 1.0 1.8 5.00 60 40 A 3 LEU HD2% A 17 SER HBy 1.0 1.8 5.00 61 41 A 4 VAL H A 3 LEU HG 1.0 1.8 6.05 62 42 A 3 LEU H A 17 SER HBx 1.0 1.8 4.99 63 42 A 3 LEU H A 17 SER HBy 1.0 1.8 4.99 64 43 A 3 LEU H A 17 SER H 1.0 1.8 5.95 65 44 A 3 LEU H A 3 LEU HBy 1.0 1.8 3.51 66 45 A 3 LEU H A 3 LEU HBx 1.0 1.8 3.51 67 46 A 3 LEU H A 3 LEU HD1% 1.0 1.8 4.77 68 47 A 3 LEU H A 3 LEU HD2% 1.0 1.8 4.20 69 48 A 3 LEU H A 3 LEU HG 1.0 1.8 5.13 70 49 A 3 LEU H A 4 VAL HG1% 1.0 1.8 5.31 71 50 A 4 VAL HG1% A 4 VAL HA 1.0 1.8 3.54 72 51 A 4 VAL HA A 4 VAL HG2% 1.0 1.8 4.11 73 52 A 4 VAL HA A 5 LYS H 1.0 1.8 3.31 74 53 A 5 LYS H A 4 VAL HB 1.0 1.8 3.49 75 54 A 4 VAL HB A 8 ASP HBy 1.0 1.8 4.82 76 55 A 4 VAL HB A 8 ASP HBx 1.0 1.8 4.82 77 56 A 4 VAL HG1% A 17 SER H 1.0 1.8 4.19 78 57 A 4 VAL HG1% A 5 LYS H 1.0 1.8 4.35 79 58 A 4 VAL HG1% A 8 ASP HBy 1.0 1.8 4.51 80 58 A 4 VAL HG1% A 8 ASP HBx 1.0 1.8 4.51 81 59 A 16 VAL HA A 4 VAL HG2% 1.0 1.8 4.64 82 60 A 4 VAL HG2% A 16 VAL HB 1.0 1.8 3.81 83 61 A 4 VAL HG2% A 16 VAL HG1% 1.0 1.8 3.58 84 62 A 4 VAL HG2% A 17 SER HBx 1.0 1.8 4.93 85 62 A 17 SER HBy A 4 VAL HG2% 1.0 1.8 4.93 86 63 A 17 SER H A 4 VAL HG2% 1.0 1.8 4.11 87 64 A 4 VAL HG2% A 5 LYS H 1.0 1.8 4.26 88 65 A 4 VAL HG2% A 8 ASP HBy 1.0 1.8 5.26 89 66 A 4 VAL HG2% A 8 ASP HBx 1.0 1.8 5.26 90 67 A 4 VAL HG2% A 9 VAL HA 1.0 1.8 4.55 91 68 A 4 VAL H A 16 VAL HB 1.0 1.8 5.03 92 69 A 4 VAL H A 17 SER HBx 1.0 1.8 5.35 93 69 A 4 VAL H A 17 SER HBy 1.0 1.8 5.35 94 70 A 17 SER H A 4 VAL H 1.0 1.8 4.65 95 71 A 18 VAL HA A 4 VAL H 1.0 1.8 4.66 96 72 A 4 VAL HG1% A 4 VAL H 1.0 1.8 3.85 97 73 A 4 VAL H A 4 VAL HG2% 1.0 1.8 3.69 98 74 A 5 LYS HA A 48 THR HG2% 1.0 1.8 5.13 99 75 A 5 LYS HA A 5 LYS HDy 1.0 1.8 4.59 100 76 A 5 LYS HA A 5 LYS HDx 1.0 1.8 4.59 101 77 A 5 LYS HA A 5 LYS HEx 1.0 1.8 4.95 102 77 A 5 LYS HA A 5 LYS HEy 1.0 1.8 4.95 103 78 A 5 LYS HA A 6 ILE H 1.0 1.8 3.86 104 79 A 48 THR HG2% A 5 LYS HBy 1.0 1.8 4.13 105 80 A 8 ASP H A 5 LYS HBy 1.0 1.8 4.75 106 81 A 48 THR HG2% A 5 LYS HBx 1.0 1.8 4.13 107 82 A 8 ASP H A 5 LYS HBx 1.0 1.8 4.75 108 83 A 48 THR HB A 5 LYS HBx 1.0 1.8 4.71 109 83 A 5 LYS HBy A 48 THR HB 1.0 1.8 4.71 110 84 A 5 LYS HBy A 5 LYS HEx 1.0 1.8 4.38 111 84 A 5 LYS HBx A 5 LYS HEx 1.0 1.8 4.38 112 84 A 5 LYS HEy A 5 LYS HBx 1.0 1.8 4.38 113 84 A 5 LYS HEy A 5 LYS HBy 1.0 1.8 4.38 114 85 A 7 ARG H A 5 LYS HBx 1.0 1.8 4.35 115 85 A 5 LYS HBy A 7 ARG H 1.0 1.8 4.35 116 86 A 5 LYS HBy A 8 ASP HBy 1.0 1.8 4.89 117 86 A 5 LYS HBx A 8 ASP HBy 1.0 1.8 4.89 118 86 A 8 ASP HBx A 5 LYS HBx 1.0 1.8 4.89 119 86 A 8 ASP HBx A 5 LYS HBy 1.0 1.8 4.89 120 87 A 48 THR HG2% A 5 LYS HDy 1.0 1.8 4.84 121 88 A 48 THR HG2% A 5 LYS HDx 1.0 1.8 4.84 122 89 A 6 ILE H A 5 LYS HDy 1.0 1.8 5.87 123 89 A 6 ILE H A 5 LYS HDx 1.0 1.8 5.87 124 90 A 48 THR HG2% A 5 LYS HEx 1.0 1.8 4.37 125 90 A 48 THR HG2% A 5 LYS HEy 1.0 1.8 4.37 126 91 A 48 THR HG2% A 5 LYS HGy 1.0 1.8 3.65 127 91 A 48 THR HG2% A 5 LYS HGx 1.0 1.8 3.65 128 92 A 5 LYS HEy A 5 LYS HGy 1.0 1.8 3.52 129 92 A 5 LYS HEx A 5 LYS HGy 1.0 1.8 3.52 130 92 A 5 LYS HGx A 5 LYS HEx 1.0 1.8 3.52 131 92 A 5 LYS HEy A 5 LYS HGx 1.0 1.8 3.52 132 93 A 6 ILE H A 5 LYS HGy 1.0 1.8 5.69 133 93 A 6 ILE H A 5 LYS HGx 1.0 1.8 5.69 134 94 A 5 LYS H A 5 LYS HBx 1.0 1.8 3.79 135 94 A 5 LYS H A 5 LYS HBy 1.0 1.8 3.79 136 95 A 5 LYS H A 5 LYS HDy 1.0 1.8 4.33 137 95 A 5 LYS H A 5 LYS HDx 1.0 1.8 4.33 138 96 A 5 LYS H A 5 LYS HGy 1.0 1.8 4.98 139 97 A 5 LYS H A 5 LYS HGx 1.0 1.8 4.98 140 98 A 5 LYS H A 6 ILE H 1.0 1.8 5.71 141 99 A 5 LYS H A 8 ASP HBy 1.0 1.8 4.94 142 100 A 5 LYS H A 8 ASP HBx 1.0 1.8 4.94 143 101 A 5 LYS H A 8 ASP H 1.0 1.8 5.09 144 102 A 6 ILE HA A 18 VAL HG1% 1.0 1.8 4.84 145 103 A 6 ILE HA A 6 ILE HD1% 1.0 1.8 4.00 146 104 A 6 ILE HA A 6 ILE HG1y 1.0 1.8 4.60 147 105 A 6 ILE HA A 6 ILE HG1x 1.0 1.8 4.60 148 106 A 8 ASP H A 6 ILE HA 1.0 1.8 4.80 149 107 A 6 ILE HA A 9 VAL HG2% 1.0 1.8 3.65 150 108 A 6 ILE HA A 9 VAL H 1.0 1.8 4.57 151 109 A 6 ILE HB A 46 ASP H 1.0 1.8 5.75 152 110 A 6 ILE HB A 49 ALA HB% 1.0 1.8 4.00 153 111 A 7 ARG H A 6 ILE HB 1.0 1.8 3.71 154 112 A 6 ILE HD1% A 18 VAL HB 1.0 1.8 4.53 155 113 A 6 ILE HD1% A 45 GLU HA 1.0 1.8 4.87 156 114 A 6 ILE HD1% A 46 ASP HBy 1.0 1.8 6.05 157 115 A 6 ILE HD1% A 46 ASP HBx 1.0 1.8 6.05 158 116 A 6 ILE HD1% A 50 ARG HA 1.0 1.8 5.15 159 117 A 7 ARG H A 6 ILE HD1% 1.0 1.8 5.91 160 118 A 18 VAL HG1% A 6 ILE HG1x 1.0 1.8 4.99 161 118 A 18 VAL HG1% A 6 ILE HG1y 1.0 1.8 4.99 162 119 A 46 ASP H A 6 ILE HG1x 1.0 1.8 6.05 163 119 A 46 ASP H A 6 ILE HG1y 1.0 1.8 6.05 164 120 A 50 ARG HA A 6 ILE HG1x 1.0 1.8 5.06 165 120 A 50 ARG HA A 6 ILE HG1y 1.0 1.8 5.06 166 121 A 50 ARG H A 6 ILE HG1x 1.0 1.8 6.05 167 121 A 6 ILE HG1y A 50 ARG H 1.0 1.8 6.05 168 122 A 7 ARG H A 6 ILE HG1x 1.0 1.8 5.63 169 122 A 7 ARG H A 6 ILE HG1y 1.0 1.8 5.63 170 123 A 45 GLU HA A 6 ILE HG2% 1.0 1.8 5.01 171 124 A 49 ALA HB% A 6 ILE HG2% 1.0 1.8 5.00 172 125 A 6 ILE HG2% A 49 ALA H 1.0 1.8 4.96 173 126 A 50 ARG HA A 6 ILE HG2% 1.0 1.8 4.50 174 127 A 50 ARG H A 6 ILE HG2% 1.0 1.8 4.89 175 128 A 6 ILE HG2% A 51 ILE HB 1.0 1.8 3.73 176 129 A 6 ILE HG2% A 51 ILE HG2% 1.0 1.8 3.60 177 130 A 6 ILE HG2% A 51 ILE H 1.0 1.8 4.38 178 131 A 6 ILE HG1y A 6 ILE HG2% 1.0 1.8 4.61 179 132 A 6 ILE HG2% A 6 ILE HG1x 1.0 1.8 4.61 180 133 A 7 ARG H A 6 ILE HG2% 1.0 1.8 4.89 181 134 A 8 ASP H A 6 ILE HG2% 1.0 1.8 5.67 182 135 A 6 ILE HG2% A 9 VAL HB 1.0 1.8 5.50 183 136 A 9 VAL H A 6 ILE HG2% 1.0 1.8 4.94 184 137 A 6 ILE H A 6 ILE HD1% 1.0 1.8 4.70 185 138 A 6 ILE H A 6 ILE HG1y 1.0 1.8 4.65 186 139 A 6 ILE H A 6 ILE HG1x 1.0 1.8 4.65 187 140 A 6 ILE H A 7 ARG H 1.0 1.8 4.52 188 141 A 49 ALA HB% A 7 ARG HA 1.0 1.8 4.00 189 142 A 7 ARG HA A 7 ARG HDy 1.0 1.8 6.05 190 143 A 7 ARG HA A 7 ARG HDx 1.0 1.8 6.05 191 144 A 7 ARG HA A 7 ARG HGy 1.0 1.8 3.96 192 144 A 7 ARG HA A 7 ARG HGx 1.0 1.8 3.96 193 145 A 9 VAL H A 7 ARG HA 1.0 1.8 5.10 194 146 A 48 THR HB A 7 ARG HBy 1.0 1.8 4.92 195 146 A 48 THR HB A 7 ARG HBx 1.0 1.8 4.92 196 147 A 7 ARG HE A 7 ARG HBy 1.0 1.8 5.16 197 148 A 7 ARG HBx A 7 ARG HE 1.0 1.8 5.16 198 149 A 48 THR HA A 7 ARG HBy 1.0 1.8 5.44 199 149 A 7 ARG HBx A 48 THR HA 1.0 1.8 5.44 200 150 A 48 THR HG2% A 7 ARG HBy 1.0 1.8 4.43 201 150 A 48 THR HG2% A 7 ARG HBx 1.0 1.8 4.43 202 151 A 7 ARG HBy A 7 ARG HDx 1.0 1.8 3.62 203 151 A 7 ARG HBx A 7 ARG HDx 1.0 1.8 3.62 204 151 A 7 ARG HDy A 7 ARG HBy 1.0 1.8 3.62 205 151 A 7 ARG HBx A 7 ARG HDy 1.0 1.8 3.62 206 152 A 7 ARG HE A 7 ARG HBy 1.0 1.8 4.42 207 152 A 7 ARG HBx A 7 ARG HE 1.0 1.8 4.42 208 153 A 48 THR HB A 7 ARG HDx 1.0 1.8 4.57 209 153 A 48 THR HB A 7 ARG HDy 1.0 1.8 4.57 210 154 A 48 THR HG2% A 7 ARG HDx 1.0 1.8 4.98 211 154 A 48 THR HG2% A 7 ARG HDy 1.0 1.8 4.98 212 155 A 49 ALA HB% A 7 ARG HDx 1.0 1.8 5.53 213 155 A 49 ALA HB% A 7 ARG HDy 1.0 1.8 5.53 214 156 A 48 THR HB A 7 ARG HGy 1.0 1.8 5.12 215 156 A 48 THR HB A 7 ARG HGx 1.0 1.8 5.12 216 157 A 48 THR HG2% A 7 ARG HGy 1.0 1.8 5.28 217 157 A 48 THR HG2% A 7 ARG HGx 1.0 1.8 5.28 218 158 A 7 ARG HE A 7 ARG HGy 1.0 1.8 4.00 219 158 A 7 ARG HGx A 7 ARG HE 1.0 1.8 4.00 220 159 A 8 ASP H A 7 ARG HGy 1.0 1.8 4.69 221 159 A 8 ASP H A 7 ARG HGx 1.0 1.8 4.69 222 160 A 48 THR HB A 7 ARG H 1.0 1.8 4.60 223 161 A 48 THR HG2% A 7 ARG H 1.0 1.8 4.92 224 162 A 7 ARG H A 7 ARG HBy 1.0 1.8 3.44 225 162 A 7 ARG H A 7 ARG HBx 1.0 1.8 3.44 226 163 A 7 ARG H A 7 ARG HDy 1.0 1.8 6.05 227 164 A 7 ARG H A 7 ARG HDx 1.0 1.8 6.05 228 165 A 7 ARG H A 7 ARG HGy 1.0 1.8 4.91 229 166 A 7 ARG H A 7 ARG HGx 1.0 1.8 4.91 230 167 A 8 ASP H A 7 ARG H 1.0 1.8 4.07 231 168 A 7 ARG H A 9 VAL H 1.0 1.8 5.58 232 169 A 9 VAL H A 8 ASP HBy 1.0 1.8 5.14 233 170 A 8 ASP HBx A 9 VAL H 1.0 1.8 5.14 234 171 A 8 ASP H A 8 ASP HBy 1.0 1.8 3.97 235 172 A 8 ASP HBx A 8 ASP H 1.0 1.8 3.97 236 173 A 8 ASP H A 9 VAL HB 1.0 1.8 5.43 237 174 A 8 ASP H A 9 VAL HG2% 1.0 1.8 4.19 238 175 A 8 ASP H A 9 VAL H 1.0 1.8 3.34 239 176 A 9 VAL HA A 10 SER H 1.0 1.8 3.11 240 177 A 9 VAL HA A 13 THR HG2% 1.0 1.8 5.35 241 178 A 9 VAL HA A 16 VAL HG2% 1.0 1.8 5.32 242 179 A 9 VAL HA A 9 VAL HG1% 1.0 1.8 3.56 243 180 A 9 VAL HA A 9 VAL HG2% 1.0 1.8 3.48 244 181 A 9 VAL HB A 10 SER H 1.0 1.8 5.04 245 182 A 9 VAL HB A 51 ILE HD1% 1.0 1.8 4.28 246 183 A 9 VAL HG1% A 10 SER HA 1.0 1.8 4.79 247 184 A 10 SER H A 9 VAL HG1% 1.0 1.8 3.56 248 185 A 9 VAL HG1% A 51 ILE HD1% 1.0 1.8 3.77 249 186 A 9 VAL HG2% A 10 SER H 1.0 1.8 5.08 250 187 A 9 VAL H A 10 SER H 1.0 1.8 4.89 251 188 A 9 VAL H A 9 VAL HB 1.0 1.8 3.23 252 189 A 9 VAL H A 9 VAL HG1% 1.0 1.8 4.33 253 190 A 9 VAL HG2% A 9 VAL H 1.0 1.8 3.21 254 191 A 10 SER HA A 11 LEU H 1.0 1.8 3.40 255 192 A 10 SER HA A 12 SER H 1.0 1.8 4.89 256 193 A 10 SER HA A 13 THR H 1.0 1.8 5.76 257 194 A 10 SER HA A 73 VAL HG1% 1.0 1.8 4.88 258 195 A 10 SER HA A 80 LEU HD1% 1.0 1.8 3.58 259 196 A 10 SER HA A 80 LEU HD2% 1.0 1.8 4.17 260 197 A 11 LEU H A 10 SER HBy 1.0 1.8 4.28 261 198 A 12 SER H A 10 SER HBy 1.0 1.8 4.32 262 199 A 80 LEU HD1% A 10 SER HBy 1.0 1.8 5.31 263 200 A 11 LEU H A 10 SER HBx 1.0 1.8 4.28 264 201 A 12 SER H A 10 SER HBx 1.0 1.8 4.32 265 202 A 80 LEU HD1% A 10 SER HBx 1.0 1.8 5.31 266 203 A 13 THR H A 10 SER HBx 1.0 1.8 4.63 267 203 A 13 THR H A 10 SER HBy 1.0 1.8 4.63 268 204 A 80 LEU HD2% A 10 SER HBx 1.0 1.8 5.60 269 204 A 80 LEU HD2% A 10 SER HBy 1.0 1.8 5.60 270 205 A 10 SER H A 13 THR HG2% 1.0 1.8 4.86 271 206 A 10 SER H A 13 THR H 1.0 1.8 4.47 272 207 A 16 VAL HG1% A 10 SER H 1.0 1.8 5.48 273 208 A 10 SER H A 73 VAL HG1% 1.0 1.8 5.15 274 209 A 11 LEU HA A 11 LEU HD1% 1.0 1.8 4.41 275 210 A 11 LEU HA A 11 LEU HD2% 1.0 1.8 3.27 276 211 A 11 LEU HA A 11 LEU HG 1.0 1.8 4.25 277 212 A 13 THR H A 11 LEU HA 1.0 1.8 5.24 278 213 A 11 LEU HA A 73 VAL HB 1.0 1.8 4.88 279 214 A 73 VAL HG1% A 11 LEU HA 1.0 1.8 4.11 280 215 A 11 LEU HD1% A 11 LEU HBx 1.0 1.8 3.30 281 215 A 11 LEU HD1% A 11 LEU HBy 1.0 1.8 3.30 282 216 A 11 LEU HD2% A 11 LEU HBx 1.0 1.8 3.54 283 216 A 11 LEU HD2% A 11 LEU HBy 1.0 1.8 3.54 284 217 A 12 SER H A 11 LEU HBx 1.0 1.8 4.20 285 217 A 12 SER H A 11 LEU HBy 1.0 1.8 4.20 286 218 A 73 VAL HG1% A 11 LEU HBx 1.0 1.8 5.40 287 218 A 73 VAL HG1% A 11 LEU HBy 1.0 1.8 5.40 288 219 A 12 SER H A 11 LEU HD1% 1.0 1.8 6.01 289 220 A 11 LEU HD1% A 74 ALA HA 1.0 1.8 6.05 290 221 A 11 LEU HD1% A 75 GLN HE21 1.0 1.8 5.17 291 222 A 11 LEU HD1% A 75 GLN HE22 1.0 1.8 4.97 292 223 A 11 LEU HD1% A 75 GLN HGx 1.0 1.8 4.71 293 223 A 11 LEU HD1% A 75 GLN HGy 1.0 1.8 4.71 294 224 A 11 LEU HD1% A 75 GLN H 1.0 1.8 4.92 295 225 A 12 SER H A 11 LEU HD2% 1.0 1.8 5.53 296 226 A 11 LEU HD2% A 73 VAL HB 1.0 1.8 4.63 297 227 A 11 LEU HD2% A 74 ALA HA 1.0 1.8 4.13 298 228 A 11 LEU HD2% A 75 GLN HBx 1.0 1.8 4.82 299 228 A 11 LEU HD2% A 75 GLN HBy 1.0 1.8 4.82 300 229 A 11 LEU HD2% A 75 GLN HGx 1.0 1.8 4.39 301 229 A 11 LEU HD2% A 75 GLN HGy 1.0 1.8 4.39 302 230 A 11 LEU HD2% A 75 GLN H 1.0 1.8 4.20 303 231 A 73 VAL HG1% A 11 LEU HG 1.0 1.8 4.80 304 232 A 80 LEU HD2% A 11 LEU HG 1.0 1.8 4.23 305 233 A 11 LEU H A 11 LEU HBx 1.0 1.8 3.49 306 233 A 11 LEU H A 11 LEU HBy 1.0 1.8 3.49 307 234 A 11 LEU H A 11 LEU HD1% 1.0 1.8 4.77 308 235 A 11 LEU H A 11 LEU HD2% 1.0 1.8 4.57 309 236 A 11 LEU H A 11 LEU HG 1.0 1.8 3.92 310 237 A 11 LEU H A 12 SER H 1.0 1.8 3.58 311 238 A 11 LEU H A 73 VAL HG1% 1.0 1.8 5.14 312 239 A 11 LEU H A 80 LEU HD1% 1.0 1.8 4.20 313 240 A 11 LEU H A 80 LEU HD2% 1.0 1.8 4.74 314 241 A 13 THR H A 12 SER HBy 1.0 1.8 4.92 315 242 A 13 THR H A 12 SER HBx 1.0 1.8 4.92 316 243 A 13 THR HG2% A 12 SER HBx 1.0 1.8 5.32 317 243 A 13 THR HG2% A 12 SER HBy 1.0 1.8 5.32 318 244 A 12 SER H A 12 SER HBx 1.0 1.8 3.32 319 244 A 12 SER H A 12 SER HBy 1.0 1.8 3.32 320 245 A 12 SER H A 13 THR H 1.0 1.8 3.42 321 246 A 12 SER H A 80 LEU HD1% 1.0 1.8 6.05 322 247 A 13 THR HG2% A 13 THR HA 1.0 1.8 3.53 323 248 A 13 THR HA A 14 PRO HDy 1.0 1.8 3.66 324 249 A 13 THR HA A 14 PRO HDx 1.0 1.8 3.66 325 250 A 13 THR HA A 14 PRO HGx 1.0 1.8 5.50 326 250 A 13 THR HA A 14 PRO HGy 1.0 1.8 5.50 327 251 A 16 VAL HG1% A 13 THR HB 1.0 1.8 3.83 328 252 A 16 VAL HG2% A 13 THR HB 1.0 1.8 6.00 329 253 A 13 THR HG2% A 14 PRO HDy 1.0 1.8 5.37 330 254 A 13 THR HG2% A 14 PRO HDx 1.0 1.8 5.37 331 255 A 13 THR HG2% A 15 TYR H 1.0 1.8 5.14 332 256 A 16 VAL HG1% A 13 THR HG2% 1.0 1.8 4.03 333 257 A 13 THR HG2% A 13 THR H 1.0 1.8 3.84 334 258 A 13 THR H A 14 PRO HDy 1.0 1.8 5.10 335 258 A 13 THR H A 14 PRO HDx 1.0 1.8 5.10 336 259 A 16 VAL HG1% A 13 THR H 1.0 1.8 5.35 337 260 A 13 THR H A 73 VAL HG1% 1.0 1.8 5.48 338 261 A 13 THR H A 73 VAL HG2% 1.0 1.8 5.16 339 262 A 73 VAL HB A 14 PRO HA 1.0 1.8 3.61 340 263 A 73 VAL HG1% A 14 PRO HA 1.0 1.8 5.26 341 264 A 73 VAL HG2% A 14 PRO HA 1.0 1.8 4.30 342 265 A 14 PRO HA A 73 VAL H 1.0 1.8 4.65 343 266 A 15 TYR HD% A 14 PRO HBx 1.0 1.8 5.29 344 266 A 14 PRO HBy A 15 TYR HD% 1.0 1.8 5.29 345 267 A 15 TYR H A 14 PRO HBx 1.0 1.8 4.31 346 267 A 15 TYR H A 14 PRO HBy 1.0 1.8 4.31 347 268 A 15 TYR H A 14 PRO HDy 1.0 1.8 4.66 348 269 A 15 TYR H A 14 PRO HDx 1.0 1.8 4.66 349 270 A 14 PRO HGy A 15 TYR H 1.0 1.8 5.32 350 271 A 15 TYR H A 14 PRO HGx 1.0 1.8 5.32 351 272 A 15 TYR HD% A 14 PRO HGx 1.0 1.8 5.14 352 272 A 14 PRO HGy A 15 TYR HD% 1.0 1.8 5.14 353 273 A 15 TYR HD% A 15 TYR HA 1.0 1.8 4.52 354 274 A 16 VAL HG1% A 15 TYR HA 1.0 1.8 5.16 355 275 A 16 VAL HG2% A 15 TYR HA 1.0 1.8 4.85 356 276 A 16 VAL H A 15 TYR HA 1.0 1.8 3.25 357 277 A 15 TYR HA A 71 ALA H 1.0 1.8 5.47 358 278 A 15 TYR HA A 72 ARG HA 1.0 1.8 4.07 359 279 A 73 VAL HG2% A 15 TYR HA 1.0 1.8 5.05 360 280 A 73 VAL H A 15 TYR HA 1.0 1.8 4.95 361 281 A 16 VAL H A 15 TYR HBy 1.0 1.8 4.55 362 282 A 70 ASN HA A 15 TYR HBy 1.0 1.8 6.05 363 283 A 16 VAL H A 15 TYR HBx 1.0 1.8 5.61 364 284 A 70 ASN HA A 15 TYR HBx 1.0 1.8 6.05 365 285 A 16 VAL H A 15 TYR HD% 1.0 1.8 5.08 366 286 A 70 ASN HA A 15 TYR HD% 1.0 1.8 4.83 367 287 A 15 TYR HD% A 72 ARG HA 1.0 1.8 4.88 368 288 A 15 TYR HD% A 72 ARG HGy 1.0 1.8 4.87 369 288 A 15 TYR HD% A 72 ARG HGx 1.0 1.8 4.87 370 289 A 15 TYR HE% A 72 ARG HBy 1.0 1.8 3.95 371 289 A 15 TYR HE% A 72 ARG HBx 1.0 1.8 3.95 372 290 A 15 TYR HE% A 72 ARG HDy 1.0 1.8 4.80 373 291 A 15 TYR HE% A 72 ARG HDx 1.0 1.8 4.80 374 292 A 15 TYR HE% A 72 ARG HGy 1.0 1.8 4.74 375 292 A 72 ARG HGx A 15 TYR HE% 1.0 1.8 4.74 376 293 A 15 TYR H A 15 TYR HBx 1.0 1.8 3.81 377 293 A 15 TYR H A 15 TYR HBy 1.0 1.8 3.81 378 294 A 15 TYR H A 15 TYR HD% 1.0 1.8 4.30 379 295 A 16 VAL HG1% A 15 TYR H 1.0 1.8 4.48 380 296 A 16 VAL HG2% A 15 TYR H 1.0 1.8 5.64 381 297 A 16 VAL H A 15 TYR H 1.0 1.8 4.91 382 298 A 15 TYR H A 73 VAL HG2% 1.0 1.8 4.93 383 299 A 16 VAL HA A 16 VAL HG1% 1.0 1.8 3.69 384 300 A 16 VAL HA A 16 VAL HG2% 1.0 1.8 4.19 385 301 A 16 VAL HA A 17 SER H 1.0 1.8 3.28 386 302 A 17 SER H A 16 VAL HB 1.0 1.8 3.51 387 303 A 17 SER H A 16 VAL HG1% 1.0 1.8 4.53 388 304 A 16 VAL HG2% A 17 SER HA 1.0 1.8 5.49 389 305 A 17 SER H A 16 VAL HG2% 1.0 1.8 4.18 390 306 A 16 VAL HG2% A 71 ALA HB% 1.0 1.8 3.74 391 307 A 16 VAL HG2% A 71 ALA H 1.0 1.8 5.00 392 308 A 16 VAL HG2% A 73 VAL HG2% 1.0 1.8 3.64 393 309 A 16 VAL HG2% A 82 LEU HD2% 1.0 1.8 3.60 394 310 A 16 VAL H A 16 VAL HG1% 1.0 1.8 4.19 395 311 A 16 VAL H A 16 VAL HG2% 1.0 1.8 3.52 396 312 A 16 VAL H A 17 SER H 1.0 1.8 5.29 397 313 A 16 VAL H A 70 ASN HA 1.0 1.8 4.98 398 314 A 16 VAL H A 70 ASN H 1.0 1.8 5.33 399 315 A 16 VAL H A 71 ALA HB% 1.0 1.8 4.63 400 316 A 16 VAL H A 72 ARG HA 1.0 1.8 5.16 401 317 A 16 VAL H A 73 VAL HG2% 1.0 1.8 4.51 402 318 A 18 VAL HG1% A 17 SER HA 1.0 1.8 5.54 403 319 A 17 SER HA A 18 VAL HG2% 1.0 1.8 5.04 404 320 A 17 SER HA A 18 VAL H 1.0 1.8 3.39 405 321 A 17 SER HA A 68 ILE HG2% 1.0 1.8 6.03 406 322 A 17 SER HA A 69 ASP HA 1.0 1.8 4.15 407 323 A 70 ASN H A 17 SER HA 1.0 1.8 4.48 408 324 A 17 SER HA A 71 ALA HB% 1.0 1.8 5.79 409 325 A 71 ALA H A 17 SER HA 1.0 1.8 4.89 410 326 A 17 SER HBy A 69 ASP HA 1.0 1.8 5.08 411 327 A 69 ASP HA A 17 SER HBx 1.0 1.8 5.08 412 328 A 18 VAL H A 17 SER HBx 1.0 1.8 4.21 413 328 A 17 SER HBy A 18 VAL H 1.0 1.8 4.21 414 329 A 17 SER HBx A 69 ASP HBy 1.0 1.8 5.70 415 329 A 17 SER HBy A 69 ASP HBy 1.0 1.8 5.70 416 329 A 69 ASP HBx A 17 SER HBx 1.0 1.8 5.70 417 329 A 17 SER HBy A 69 ASP HBx 1.0 1.8 5.70 418 330 A 17 SER H A 17 SER HBy 1.0 1.8 4.29 419 331 A 17 SER H A 17 SER HBx 1.0 1.8 4.29 420 332 A 17 SER H A 18 VAL H 1.0 1.8 5.47 421 333 A 70 ASN H A 17 SER H 1.0 1.8 6.05 422 334 A 18 VAL HA A 18 VAL HG1% 1.0 1.8 3.73 423 335 A 18 VAL HA A 18 VAL HG2% 1.0 1.8 4.40 424 336 A 18 VAL HA A 19 ILE H 1.0 1.8 3.38 425 337 A 18 VAL HB A 19 ILE H 1.0 1.8 3.62 426 338 A 18 VAL HG1% A 19 ILE H 1.0 1.8 4.81 427 339 A 18 VAL HG1% A 82 LEU HD1% 1.0 1.8 4.13 428 340 A 18 VAL HG2% A 19 ILE HA 1.0 1.8 5.52 429 341 A 18 VAL HG2% A 19 ILE H 1.0 1.8 4.65 430 342 A 18 VAL HG2% A 68 ILE HB 1.0 1.8 3.93 431 343 A 18 VAL HG2% A 68 ILE HG1x 1.0 1.8 4.94 432 343 A 18 VAL HG2% A 68 ILE HG1y 1.0 1.8 4.94 433 344 A 18 VAL HG2% A 68 ILE H 1.0 1.8 4.65 434 345 A 71 ALA HB% A 18 VAL HG2% 1.0 1.8 4.93 435 346 A 18 VAL HG2% A 82 LEU HD1% 1.0 1.8 3.96 436 347 A 18 VAL HG1% A 18 VAL H 1.0 1.8 4.44 437 348 A 18 VAL HG2% A 18 VAL H 1.0 1.8 3.70 438 349 A 18 VAL H A 67 ARG HA 1.0 1.8 6.05 439 350 A 18 VAL H A 67 ARG HGy 1.0 1.8 5.87 440 350 A 18 VAL H A 67 ARG HGx 1.0 1.8 5.87 441 351 A 18 VAL H A 68 ILE HB 1.0 1.8 4.37 442 352 A 18 VAL H A 68 ILE HG1x 1.0 1.8 5.87 443 352 A 18 VAL H A 68 ILE HG1y 1.0 1.8 5.87 444 353 A 18 VAL H A 68 ILE H 1.0 1.8 4.55 445 354 A 18 VAL H A 69 ASP HA 1.0 1.8 5.39 446 355 A 71 ALA HB% A 18 VAL H 1.0 1.8 5.38 447 356 A 19 ILE HA A 19 ILE HD1% 1.0 1.8 4.95 448 357 A 19 ILE HA A 19 ILE HG2% 1.0 1.8 3.67 449 358 A 19 ILE HA A 20 GLY H 1.0 1.8 3.45 450 359 A 19 ILE HA A 44 ILE HD1% 1.0 1.8 4.65 451 360 A 19 ILE HA A 67 ARG HA 1.0 1.8 4.05 452 361 A 19 ILE HA A 68 ILE H 1.0 1.8 4.47 453 362 A 20 GLY H A 19 ILE HB 1.0 1.8 5.06 454 363 A 67 ARG HA A 19 ILE HD1% 1.0 1.8 4.99 455 364 A 19 ILE HD1% A 67 ARG HBx 1.0 1.8 4.93 456 364 A 19 ILE HD1% A 67 ARG HBy 1.0 1.8 4.93 457 365 A 19 ILE HD1% A 67 ARG HDx 1.0 1.8 4.42 458 365 A 19 ILE HD1% A 67 ARG HDy 1.0 1.8 4.42 459 366 A 19 ILE HD1% A 67 ARG HGy 1.0 1.8 4.82 460 366 A 67 ARG HGx A 19 ILE HD1% 1.0 1.8 4.82 461 367 A 67 ARG HA A 19 ILE HG1x 1.0 1.8 4.00 462 367 A 67 ARG HA A 19 ILE HG1y 1.0 1.8 4.00 463 368 A 19 ILE HG1y A 67 ARG HBx 1.0 1.8 4.93 464 368 A 19 ILE HG1x A 67 ARG HBx 1.0 1.8 4.93 465 368 A 67 ARG HBy A 19 ILE HG1x 1.0 1.8 4.93 466 368 A 67 ARG HBy A 19 ILE HG1y 1.0 1.8 4.93 467 369 A 19 ILE HG1y A 67 ARG HDx 1.0 1.8 4.28 468 369 A 19 ILE HG1x A 67 ARG HDx 1.0 1.8 4.28 469 369 A 67 ARG HDy A 19 ILE HG1x 1.0 1.8 4.28 470 369 A 67 ARG HDy A 19 ILE HG1y 1.0 1.8 4.28 471 370 A 19 ILE HG1x A 67 ARG HGy 1.0 1.8 4.40 472 370 A 19 ILE HG1y A 67 ARG HGy 1.0 1.8 4.40 473 370 A 67 ARG HGx A 19 ILE HG1x 1.0 1.8 4.40 474 370 A 67 ARG HGx A 19 ILE HG1y 1.0 1.8 4.40 475 371 A 19 ILE HD1% A 19 ILE HG2% 1.0 1.8 3.49 476 372 A 19 ILE HG2% A 19 ILE HG1y 1.0 1.8 4.55 477 373 A 19 ILE HG2% A 19 ILE HG1x 1.0 1.8 4.55 478 374 A 19 ILE HG2% A 20 GLY HAy 1.0 1.8 4.14 479 374 A 19 ILE HG2% A 20 GLY HAx 1.0 1.8 4.14 480 375 A 19 ILE HG2% A 20 GLY H 1.0 1.8 4.00 481 376 A 19 ILE HG2% A 44 ILE HD1% 1.0 1.8 5.39 482 377 A 67 ARG HA A 19 ILE HG2% 1.0 1.8 4.77 483 378 A 19 ILE H A 19 ILE HB 1.0 1.8 3.75 484 379 A 19 ILE H A 19 ILE HD1% 1.0 1.8 5.41 485 380 A 19 ILE H A 19 ILE HG1x 1.0 1.8 5.33 486 380 A 19 ILE H A 19 ILE HG1y 1.0 1.8 5.33 487 381 A 19 ILE H A 19 ILE HG2% 1.0 1.8 4.89 488 382 A 19 ILE H A 44 ILE HD1% 1.0 1.8 4.94 489 383 A 44 ILE HD1% A 20 GLY HAy 1.0 1.8 4.99 490 384 A 45 GLU H A 20 GLY HAy 1.0 1.8 6.05 491 385 A 44 ILE HD1% A 20 GLY HAx 1.0 1.8 4.99 492 386 A 20 GLY HAx A 45 GLU H 1.0 1.8 6.05 493 387 A 20 GLY H A 21 LYS H 1.0 1.8 5.70 494 388 A 20 GLY H A 44 ILE HD1% 1.0 1.8 3.97 495 389 A 67 ARG HA A 20 GLY H 1.0 1.8 5.65 496 390 A 21 LYS HA A 21 LYS HDx 1.0 1.8 5.52 497 390 A 21 LYS HA A 21 LYS HDy 1.0 1.8 5.52 498 391 A 21 LYS HA A 22 ILE HB 1.0 1.8 5.61 499 392 A 21 LYS HA A 22 ILE H 1.0 1.8 3.62 500 393 A 21 LYS HA A 65 VAL HA 1.0 1.8 4.04 501 394 A 21 LYS HA A 65 VAL HG1% 1.0 1.8 4.73 502 395 A 21 LYS HA A 65 VAL HG2% 1.0 1.8 4.73 503 396 A 21 LYS HBy A 21 LYS HEx 1.0 1.8 4.83 504 396 A 21 LYS HBx A 21 LYS HEx 1.0 1.8 4.83 505 396 A 21 LYS HEy A 21 LYS HBx 1.0 1.8 4.83 506 396 A 21 LYS HBy A 21 LYS HEy 1.0 1.8 4.83 507 397 A 45 GLU H A 21 LYS HBx 1.0 1.8 4.93 508 397 A 45 GLU H A 21 LYS HBy 1.0 1.8 4.93 509 398 A 65 VAL HA A 21 LYS HBx 1.0 1.8 6.05 510 398 A 65 VAL HA A 21 LYS HBy 1.0 1.8 6.05 511 399 A 63 SER HA A 21 LYS HDx 1.0 1.8 5.22 512 399 A 21 LYS HDy A 63 SER HA 1.0 1.8 5.22 513 400 A 23 THR HG2% A 21 LYS HEx 1.0 1.8 3.92 514 400 A 21 LYS HEy A 23 THR HG2% 1.0 1.8 3.92 515 401 A 63 SER HA A 21 LYS HEx 1.0 1.8 4.30 516 401 A 21 LYS HEy A 63 SER HA 1.0 1.8 4.30 517 402 A 21 LYS HEx A 63 SER HBx 1.0 1.8 4.88 518 402 A 21 LYS HEy A 63 SER HBx 1.0 1.8 4.88 519 402 A 63 SER HBy A 21 LYS HEx 1.0 1.8 4.88 520 402 A 21 LYS HEy A 63 SER HBy 1.0 1.8 4.88 521 403 A 22 ILE H A 21 LYS HGx 1.0 1.8 4.35 522 403 A 22 ILE H A 21 LYS HGy 1.0 1.8 4.35 523 404 A 63 SER HA A 21 LYS HGx 1.0 1.8 4.79 524 404 A 63 SER HA A 21 LYS HGy 1.0 1.8 4.79 525 405 A 21 LYS H A 21 LYS HBx 1.0 1.8 3.85 526 405 A 21 LYS H A 21 LYS HBy 1.0 1.8 3.85 527 406 A 21 LYS H A 21 LYS HGx 1.0 1.8 5.30 528 406 A 21 LYS H A 21 LYS HGy 1.0 1.8 5.30 529 407 A 44 ILE HD1% A 21 LYS H 1.0 1.8 5.36 530 408 A 21 LYS H A 44 ILE HG1y 1.0 1.8 4.79 531 409 A 21 LYS H A 44 ILE HG1x 1.0 1.8 4.79 532 410 A 21 LYS H A 45 GLU HGx 1.0 1.8 5.90 533 410 A 21 LYS H A 45 GLU HGy 1.0 1.8 5.90 534 411 A 45 GLU H A 21 LYS H 1.0 1.8 4.10 535 412 A 21 LYS H A 46 ASP HA 1.0 1.8 6.05 536 413 A 22 ILE HA A 22 ILE HD1% 1.0 1.8 4.00 537 414 A 23 THR HG2% A 22 ILE HA 1.0 1.8 5.41 538 415 A 22 ILE HA A 23 THR H 1.0 1.8 3.41 539 416 A 22 ILE HA A 44 ILE HA 1.0 1.8 3.89 540 417 A 22 ILE HA A 44 ILE HB 1.0 1.8 5.48 541 418 A 22 ILE HA A 44 ILE HG1x 1.0 1.8 5.83 542 418 A 22 ILE HA A 44 ILE HG1y 1.0 1.8 5.83 543 419 A 45 GLU H A 22 ILE HA 1.0 1.8 6.05 544 420 A 22 ILE HB A 23 THR H 1.0 1.8 5.47 545 421 A 22 ILE HB A 62 ASP HA 1.0 1.8 5.04 546 422 A 22 ILE HB A 63 SER H 1.0 1.8 5.16 547 423 A 22 ILE HB A 64 ASP H 1.0 1.8 4.30 548 424 A 22 ILE HD1% A 23 THR H 1.0 1.8 5.54 549 425 A 22 ILE HD1% A 44 ILE HA 1.0 1.8 5.00 550 426 A 22 ILE HD1% A 44 ILE HB 1.0 1.8 4.07 551 427 A 22 ILE HD1% A 44 ILE HG1x 1.0 1.8 3.98 552 427 A 22 ILE HD1% A 44 ILE HG1y 1.0 1.8 3.98 553 428 A 23 THR H A 22 ILE HG1x 1.0 1.8 5.87 554 428 A 23 THR H A 22 ILE HG1y 1.0 1.8 5.87 555 429 A 66 VAL HG1% A 22 ILE HG1x 1.0 1.8 5.18 556 429 A 22 ILE HG1y A 66 VAL HG1% 1.0 1.8 5.18 557 430 A 66 VAL HG2% A 22 ILE HG1x 1.0 1.8 4.27 558 430 A 22 ILE HG1y A 66 VAL HG2% 1.0 1.8 4.27 559 431 A 22 ILE HG2% A 22 ILE HG1x 1.0 1.8 3.60 560 431 A 22 ILE HG1y A 22 ILE HG2% 1.0 1.8 3.60 561 432 A 22 ILE HG2% A 23 THR HA 1.0 1.8 4.77 562 433 A 23 THR H A 22 ILE HG2% 1.0 1.8 3.72 563 434 A 22 ILE HG2% A 24 GLY H 1.0 1.8 5.80 564 435 A 22 ILE HG2% A 25 ILE HB 1.0 1.8 5.82 565 436 A 22 ILE HG2% A 25 ILE HD1% 1.0 1.8 3.55 566 437 A 22 ILE HG2% A 25 ILE HG1y 1.0 1.8 4.19 567 438 A 22 ILE HG2% A 25 ILE HG1x 1.0 1.8 4.19 568 439 A 22 ILE HG2% A 43 TYR H 1.0 1.8 5.17 569 440 A 22 ILE HG2% A 60 LEU HBy 1.0 1.8 5.26 570 441 A 22 ILE HG2% A 60 LEU HBx 1.0 1.8 5.26 571 442 A 22 ILE HG2% A 60 LEU HD1% 1.0 1.8 4.52 572 443 A 62 ASP HA A 22 ILE HG2% 1.0 1.8 3.87 573 444 A 22 ILE HG2% A 62 ASP H 1.0 1.8 6.05 574 445 A 63 SER H A 22 ILE HG2% 1.0 1.8 4.80 575 446 A 22 ILE HG2% A 64 ASP HBy 1.0 1.8 5.60 576 446 A 22 ILE HG2% A 64 ASP HBx 1.0 1.8 5.60 577 447 A 64 ASP H A 22 ILE HG2% 1.0 1.8 4.94 578 448 A 22 ILE HB A 22 ILE H 1.0 1.8 3.95 579 449 A 22 ILE H A 22 ILE HD1% 1.0 1.8 4.41 580 450 A 22 ILE H A 22 ILE HG1y 1.0 1.8 4.73 581 451 A 22 ILE H A 22 ILE HG1x 1.0 1.8 4.73 582 452 A 22 ILE H A 63 SER H 1.0 1.8 5.64 583 453 A 22 ILE H A 64 ASP HBy 1.0 1.8 5.87 584 453 A 22 ILE H A 64 ASP HBx 1.0 1.8 5.87 585 454 A 22 ILE H A 64 ASP H 1.0 1.8 4.99 586 455 A 22 ILE H A 65 VAL HA 1.0 1.8 4.81 587 456 A 22 ILE H A 65 VAL HG2% 1.0 1.8 5.09 588 456 A 22 ILE H A 65 VAL HG1% 1.0 1.8 5.09 589 457 A 23 THR HG2% A 23 THR HA 1.0 1.8 3.59 590 458 A 23 THR HA A 24 GLY H 1.0 1.8 3.45 591 459 A 23 THR HA A 25 ILE H 1.0 1.8 5.25 592 460 A 23 THR HA A 62 ASP HBy 1.0 1.8 5.53 593 461 A 23 THR HA A 62 ASP HBx 1.0 1.8 5.53 594 462 A 24 GLY H A 23 THR HB 1.0 1.8 3.71 595 463 A 23 THR HG2% A 24 GLY H 1.0 1.8 4.31 596 464 A 23 THR HG2% A 63 SER H 1.0 1.8 5.32 597 465 A 23 THR HG2% A 23 THR H 1.0 1.8 4.25 598 466 A 23 THR H A 24 GLY H 1.0 1.8 5.29 599 467 A 23 THR H A 25 ILE HD1% 1.0 1.8 5.24 600 468 A 23 THR H A 43 TYR HBx 1.0 1.8 5.24 601 468 A 23 THR H A 43 TYR HBy 1.0 1.8 5.24 602 469 A 23 THR H A 43 TYR H 1.0 1.8 4.35 603 470 A 23 THR H A 44 ILE HA 1.0 1.8 4.89 604 471 A 23 THR H A 44 ILE HB 1.0 1.8 6.05 605 472 A 43 TYR HD% A 24 GLY HAx 1.0 1.8 4.84 606 472 A 24 GLY HAy A 43 TYR HD% 1.0 1.8 4.84 607 473 A 24 GLY H A 25 ILE HB 1.0 1.8 6.05 608 474 A 24 GLY H A 25 ILE H 1.0 1.8 4.27 609 475 A 63 SER H A 24 GLY H 1.0 1.8 6.05 610 476 A 25 ILE HD1% A 25 ILE HA 1.0 1.8 3.75 611 477 A 25 ILE HA A 26 HIS H 1.0 1.8 3.29 612 478 A 25 ILE HA A 41 GLN H 1.0 1.8 5.09 613 479 A 25 ILE HA A 42 GLY HAy 1.0 1.8 4.73 614 480 A 25 ILE HA A 42 GLY HAx 1.0 1.8 4.73 615 481 A 25 ILE HB A 26 HIS H 1.0 1.8 5.05 616 482 A 25 ILE HB A 62 ASP H 1.0 1.8 6.05 617 483 A 25 ILE HD1% A 26 HIS H 1.0 1.8 4.52 618 484 A 25 ILE HD1% A 40 TYR HBy 1.0 1.8 5.52 619 485 A 25 ILE HD1% A 40 TYR HBx 1.0 1.8 5.52 620 486 A 25 ILE HD1% A 41 GLN H 1.0 1.8 5.74 621 487 A 25 ILE HD1% A 42 GLY HAy 1.0 1.8 4.35 622 488 A 25 ILE HD1% A 42 GLY HAx 1.0 1.8 4.35 623 489 A 25 ILE HD1% A 42 GLY H 1.0 1.8 6.05 624 490 A 25 ILE HD1% A 43 TYR H 1.0 1.8 4.58 625 491 A 25 ILE HD1% A 60 LEU HBy 1.0 1.8 4.87 626 492 A 25 ILE HD1% A 60 LEU HBx 1.0 1.8 4.87 627 493 A 26 HIS H A 25 ILE HG1x 1.0 1.8 5.69 628 493 A 26 HIS H A 25 ILE HG1y 1.0 1.8 5.69 629 494 A 61 GLN HA A 25 ILE HG1x 1.0 1.8 5.15 630 494 A 25 ILE HG1y A 61 GLN HA 1.0 1.8 5.15 631 495 A 61 GLN H A 25 ILE HG1x 1.0 1.8 5.87 632 495 A 25 ILE HG1y A 61 GLN H 1.0 1.8 5.87 633 496 A 62 ASP HA A 25 ILE HG1x 1.0 1.8 4.76 634 496 A 62 ASP HA A 25 ILE HG1y 1.0 1.8 4.76 635 497 A 25 ILE HD1% A 25 ILE HG2% 1.0 1.8 3.69 636 498 A 25 ILE HG1y A 25 ILE HG2% 1.0 1.8 4.29 637 499 A 25 ILE HG2% A 25 ILE HG1x 1.0 1.8 4.29 638 500 A 25 ILE HG2% A 26 HIS HA 1.0 1.8 4.40 639 501 A 26 HIS H A 25 ILE HG2% 1.0 1.8 3.98 640 502 A 25 ILE HG2% A 27 LYS H 1.0 1.8 5.64 641 503 A 25 ILE HG2% A 40 TYR HA 1.0 1.8 4.57 642 504 A 25 ILE HG2% A 40 TYR HBy 1.0 1.8 5.01 643 505 A 25 ILE HG2% A 40 TYR HBx 1.0 1.8 5.01 644 506 A 25 ILE HG2% A 40 TYR HD% 1.0 1.8 3.86 645 507 A 25 ILE HG2% A 40 TYR HE% 1.0 1.8 5.02 646 508 A 41 GLN H A 25 ILE HG2% 1.0 1.8 4.98 647 509 A 61 GLN HA A 25 ILE HG2% 1.0 1.8 4.57 648 510 A 61 GLN H A 25 ILE HG2% 1.0 1.8 5.75 649 511 A 62 ASP H A 25 ILE HG2% 1.0 1.8 5.53 650 512 A 25 ILE HB A 25 ILE H 1.0 1.8 3.66 651 513 A 25 ILE HD1% A 25 ILE H 1.0 1.8 4.84 652 514 A 25 ILE H A 25 ILE HG1y 1.0 1.8 4.53 653 515 A 25 ILE H A 25 ILE HG1x 1.0 1.8 4.53 654 516 A 25 ILE H A 25 ILE HG2% 1.0 1.8 4.36 655 517 A 25 ILE H A 26 HIS H 1.0 1.8 5.28 656 518 A 62 ASP HA A 25 ILE H 1.0 1.8 5.31 657 519 A 27 LYS H A 26 HIS HBy 1.0 1.8 4.95 658 520 A 27 LYS H A 26 HIS HBx 1.0 1.8 4.95 659 521 A 26 HIS H A 41 GLN H 1.0 1.8 4.22 660 522 A 26 HIS H A 42 GLY HAy 1.0 1.8 6.05 661 523 A 26 HIS H A 42 GLY HAx 1.0 1.8 6.05 662 524 A 27 LYS HA A 27 LYS HGy 1.0 1.8 4.43 663 525 A 27 LYS HA A 27 LYS HGx 1.0 1.8 4.43 664 526 A 40 TYR HD% A 27 LYS HA 1.0 1.8 5.71 665 527 A 27 LYS HBx A 27 LYS HEx 1.0 1.8 5.06 666 527 A 27 LYS HEy A 27 LYS HBx 1.0 1.8 5.06 667 527 A 27 LYS HBy A 27 LYS HEy 1.0 1.8 5.06 668 527 A 27 LYS HBy A 27 LYS HEx 1.0 1.8 5.06 669 528 A 27 LYS HDy A 38 SER HBx 1.0 1.8 5.24 670 528 A 27 LYS HDx A 38 SER HBx 1.0 1.8 5.24 671 528 A 38 SER HBy A 27 LYS HDx 1.0 1.8 5.24 672 528 A 27 LYS HDy A 38 SER HBy 1.0 1.8 5.24 673 529 A 40 TYR HD% A 27 LYS HDx 1.0 1.8 5.68 674 529 A 40 TYR HD% A 27 LYS HDy 1.0 1.8 5.68 675 530 A 40 TYR HE% A 27 LYS HDx 1.0 1.8 4.29 676 530 A 40 TYR HE% A 27 LYS HDy 1.0 1.8 4.29 677 531 A 27 LYS HEy A 29 GLU HGx 1.0 1.8 5.33 678 531 A 27 LYS HEx A 29 GLU HGx 1.0 1.8 5.33 679 531 A 29 GLU HGy A 27 LYS HEx 1.0 1.8 5.33 680 531 A 27 LYS HEy A 29 GLU HGy 1.0 1.8 5.33 681 532 A 27 LYS HEx A 38 SER HBx 1.0 1.8 4.64 682 532 A 27 LYS HEy A 38 SER HBx 1.0 1.8 4.64 683 532 A 38 SER HBy A 27 LYS HEx 1.0 1.8 4.64 684 532 A 27 LYS HEy A 38 SER HBy 1.0 1.8 4.64 685 533 A 40 TYR HE% A 27 LYS HEx 1.0 1.8 5.02 686 533 A 40 TYR HE% A 27 LYS HEy 1.0 1.8 5.02 687 534 A 28 LYS H A 27 LYS HGy 1.0 1.8 4.75 688 535 A 28 LYS H A 27 LYS HGx 1.0 1.8 4.75 689 536 A 27 LYS HEy A 27 LYS HGy 1.0 1.8 3.52 690 536 A 27 LYS HEx A 27 LYS HGy 1.0 1.8 3.52 691 536 A 27 LYS HGx A 27 LYS HEx 1.0 1.8 3.52 692 536 A 27 LYS HEy A 27 LYS HGx 1.0 1.8 3.52 693 537 A 27 LYS HGx A 29 GLU HGx 1.0 1.8 5.71 694 537 A 29 GLU HGy A 27 LYS HGy 1.0 1.8 5.71 695 537 A 29 GLU HGy A 27 LYS HGx 1.0 1.8 5.71 696 537 A 27 LYS HGy A 29 GLU HGx 1.0 1.8 5.71 697 538 A 27 LYS HGx A 38 SER HBx 1.0 1.8 4.08 698 538 A 27 LYS HGy A 38 SER HBx 1.0 1.8 4.08 699 538 A 38 SER HBy A 27 LYS HGy 1.0 1.8 4.08 700 538 A 38 SER HBy A 27 LYS HGx 1.0 1.8 4.08 701 539 A 27 LYS H A 27 LYS HBy 1.0 1.8 4.06 702 540 A 27 LYS H A 27 LYS HBx 1.0 1.8 4.06 703 541 A 27 LYS H A 27 LYS HGy 1.0 1.8 5.08 704 541 A 27 LYS H A 27 LYS HGx 1.0 1.8 5.08 705 542 A 28 LYS HA A 28 LYS HDx 1.0 1.8 4.49 706 542 A 28 LYS HA A 28 LYS HDy 1.0 1.8 4.49 707 543 A 28 LYS HA A 28 LYS HEx 1.0 1.8 4.85 708 543 A 28 LYS HA A 28 LYS HEy 1.0 1.8 4.85 709 544 A 28 LYS HA A 28 LYS HGx 1.0 1.8 3.76 710 544 A 28 LYS HA A 28 LYS HGy 1.0 1.8 3.76 711 545 A 28 LYS HA A 29 GLU HGx 1.0 1.8 4.96 712 545 A 29 GLU HGy A 28 LYS HA 1.0 1.8 4.96 713 546 A 28 LYS HA A 29 GLU H 1.0 1.8 3.05 714 547 A 29 GLU H A 28 LYS HBy 1.0 1.8 5.18 715 548 A 39 VAL HG1% A 28 LYS HBy 1.0 1.8 3.97 716 549 A 29 GLU H A 28 LYS HBx 1.0 1.8 5.18 717 550 A 39 VAL HG1% A 28 LYS HBx 1.0 1.8 3.97 718 551 A 29 GLU H A 28 LYS HBx 1.0 1.8 4.41 719 551 A 29 GLU H A 28 LYS HBy 1.0 1.8 4.41 720 552 A 39 VAL H A 28 LYS HBx 1.0 1.8 5.84 721 552 A 28 LYS HBy A 39 VAL H 1.0 1.8 5.84 722 553 A 29 GLU H A 28 LYS HDx 1.0 1.8 5.29 723 553 A 28 LYS HDy A 29 GLU H 1.0 1.8 5.29 724 554 A 39 VAL HG1% A 28 LYS HDx 1.0 1.8 4.88 725 554 A 28 LYS HDy A 39 VAL HG1% 1.0 1.8 4.88 726 555 A 28 LYS HEy A 28 LYS HGx 1.0 1.8 3.62 727 555 A 28 LYS HEx A 28 LYS HGx 1.0 1.8 3.62 728 555 A 28 LYS HGy A 28 LYS HEx 1.0 1.8 3.62 729 555 A 28 LYS HEy A 28 LYS HGy 1.0 1.8 3.62 730 556 A 29 GLU H A 28 LYS HGx 1.0 1.8 4.26 731 556 A 28 LYS HGy A 29 GLU H 1.0 1.8 4.26 732 557 A 39 VAL HG1% A 28 LYS HGx 1.0 1.8 4.72 733 557 A 28 LYS HGy A 39 VAL HG1% 1.0 1.8 4.72 734 558 A 28 LYS H A 28 LYS HBy 1.0 1.8 4.17 735 559 A 28 LYS H A 28 LYS HBx 1.0 1.8 4.17 736 560 A 28 LYS H A 28 LYS HGx 1.0 1.8 4.73 737 560 A 28 LYS H A 28 LYS HGy 1.0 1.8 4.73 738 561 A 28 LYS H A 29 GLU H 1.0 1.8 5.02 739 562 A 28 LYS H A 39 VAL HG1% 1.0 1.8 5.01 740 563 A 29 GLU HA A 29 GLU HGx 1.0 1.8 3.88 741 563 A 29 GLU HGy A 29 GLU HA 1.0 1.8 3.88 742 564 A 29 GLU HA A 30 TYR H 1.0 1.8 3.17 743 565 A 29 GLU HA A 36 THR HG2% 1.0 1.8 4.66 744 566 A 29 GLU HA A 37 LYS H 1.0 1.8 5.70 745 567 A 39 VAL HG1% A 29 GLU HA 1.0 1.8 5.67 746 568 A 30 TYR H A 29 GLU HBx 1.0 1.8 3.97 747 568 A 30 TYR H A 29 GLU HBy 1.0 1.8 3.97 748 569 A 36 THR HB A 29 GLU HBx 1.0 1.8 5.39 749 569 A 29 GLU HBy A 36 THR HB 1.0 1.8 5.39 750 570 A 36 THR HG2% A 29 GLU HBx 1.0 1.8 3.64 751 570 A 36 THR HG2% A 29 GLU HBy 1.0 1.8 3.64 752 571 A 38 SER HA A 29 GLU HBx 1.0 1.8 4.96 753 571 A 29 GLU HBy A 38 SER HA 1.0 1.8 4.96 754 572 A 30 TYR H A 29 GLU HGx 1.0 1.8 4.66 755 572 A 29 GLU HGy A 30 TYR H 1.0 1.8 4.66 756 573 A 36 THR HB A 29 GLU HGx 1.0 1.8 5.71 757 573 A 29 GLU HGy A 36 THR HB 1.0 1.8 5.71 758 574 A 36 THR HG2% A 29 GLU HGx 1.0 1.8 3.99 759 574 A 29 GLU HGy A 36 THR HG2% 1.0 1.8 3.99 760 575 A 37 LYS H A 29 GLU HGx 1.0 1.8 6.05 761 575 A 29 GLU HGy A 37 LYS H 1.0 1.8 6.05 762 576 A 38 SER HA A 29 GLU HGx 1.0 1.8 4.91 763 576 A 29 GLU HGy A 38 SER HA 1.0 1.8 4.91 764 577 A 29 GLU H A 29 GLU HBx 1.0 1.8 3.37 765 577 A 29 GLU H A 29 GLU HBy 1.0 1.8 3.37 766 578 A 29 GLU H A 29 GLU HGx 1.0 1.8 3.86 767 578 A 29 GLU HGy A 29 GLU H 1.0 1.8 3.86 768 579 A 29 GLU H A 30 TYR H 1.0 1.8 5.19 769 580 A 30 TYR HA A 30 TYR HD% 1.0 1.8 4.84 770 581 A 36 THR HG2% A 30 TYR HA 1.0 1.8 5.16 771 582 A 31 GLU H A 30 TYR HBx 1.0 1.8 3.40 772 582 A 30 TYR HBy A 31 GLU H 1.0 1.8 3.40 773 583 A 30 TYR HD% A 31 GLU H 1.0 1.8 4.38 774 584 A 30 TYR HD% A 32 SER HBx 1.0 1.8 5.08 775 584 A 30 TYR HD% A 32 SER HBy 1.0 1.8 5.08 776 585 A 30 TYR HD% A 39 VAL HB 1.0 1.8 3.96 777 586 A 39 VAL HG1% A 30 TYR HD% 1.0 1.8 4.44 778 587 A 30 TYR HD% A 39 VAL HG2% 1.0 1.8 5.16 779 588 A 39 VAL H A 30 TYR HD% 1.0 1.8 5.49 780 589 A 30 TYR HE% A 32 SER HBx 1.0 1.8 4.04 781 589 A 32 SER HBy A 30 TYR HE% 1.0 1.8 4.04 782 590 A 30 TYR HE% A 32 SER H 1.0 1.8 5.84 783 591 A 30 TYR HE% A 37 LYS HBx 1.0 1.8 4.38 784 591 A 30 TYR HE% A 37 LYS HBy 1.0 1.8 4.38 785 592 A 30 TYR HE% A 37 LYS HGx 1.0 1.8 5.08 786 592 A 30 TYR HE% A 37 LYS HGy 1.0 1.8 5.08 787 593 A 38 SER HA A 30 TYR HE% 1.0 1.8 5.65 788 594 A 30 TYR HE% A 38 SER H 1.0 1.8 6.05 789 595 A 39 VAL HB A 30 TYR HE% 1.0 1.8 3.67 790 596 A 39 VAL HG1% A 30 TYR HE% 1.0 1.8 4.40 791 597 A 39 VAL HG2% A 30 TYR HE% 1.0 1.8 4.40 792 598 A 39 VAL H A 30 TYR HE% 1.0 1.8 5.65 793 599 A 30 TYR HE% A 56 PHE HD% 1.0 1.8 4.88 794 600 A 30 TYR H A 30 TYR HD% 1.0 1.8 3.89 795 601 A 30 TYR H A 30 TYR HE% 1.0 1.8 5.39 796 602 A 30 TYR H A 31 GLU H 1.0 1.8 4.94 797 603 A 30 TYR H A 36 THR HA 1.0 1.8 5.13 798 604 A 30 TYR H A 36 THR HG2% 1.0 1.8 4.44 799 605 A 30 TYR H A 37 LYS HBx 1.0 1.8 5.35 800 605 A 30 TYR H A 37 LYS HBy 1.0 1.8 5.35 801 606 A 32 SER H A 31 GLU HA 1.0 1.8 3.04 802 607 A 36 THR HG2% A 31 GLU HA 1.0 1.8 4.81 803 608 A 32 SER H A 31 GLU HBx 1.0 1.8 4.59 804 608 A 32 SER H A 31 GLU HBy 1.0 1.8 4.59 805 609 A 36 THR HA A 31 GLU HBx 1.0 1.8 5.87 806 609 A 36 THR HA A 31 GLU HBy 1.0 1.8 5.87 807 610 A 32 SER H A 31 GLU HGy 1.0 1.8 6.04 808 611 A 32 SER H A 31 GLU HGx 1.0 1.8 6.04 809 612 A 34 GLY H A 31 GLU HGx 1.0 1.8 6.05 810 612 A 31 GLU HGy A 34 GLY H 1.0 1.8 6.05 811 613 A 35 THR H A 31 GLU HGx 1.0 1.8 5.20 812 613 A 31 GLU HGy A 35 THR H 1.0 1.8 5.20 813 614 A 31 GLU H A 31 GLU HBx 1.0 1.8 3.27 814 614 A 31 GLU H A 31 GLU HBy 1.0 1.8 3.27 815 615 A 31 GLU H A 31 GLU HGx 1.0 1.8 4.58 816 615 A 31 GLU H A 31 GLU HGy 1.0 1.8 4.58 817 616 A 34 GLY H A 32 SER HA 1.0 1.8 4.88 818 617 A 32 SER HBy A 33 ASP H 1.0 1.8 5.41 819 618 A 33 ASP H A 32 SER HBx 1.0 1.8 5.41 820 619 A 35 THR HG2% A 32 SER HBx 1.0 1.8 5.87 821 619 A 32 SER HBy A 35 THR HG2% 1.0 1.8 5.87 822 620 A 35 THR H A 32 SER HBx 1.0 1.8 5.29 823 620 A 32 SER HBy A 35 THR H 1.0 1.8 5.29 824 621 A 32 SER HBy A 37 LYS HEx 1.0 1.8 4.58 825 621 A 32 SER HBx A 37 LYS HEx 1.0 1.8 4.58 826 621 A 37 LYS HEy A 32 SER HBx 1.0 1.8 4.58 827 621 A 32 SER HBy A 37 LYS HEy 1.0 1.8 4.58 828 622 A 32 SER HBy A 37 LYS HGx 1.0 1.8 4.62 829 622 A 37 LYS HGy A 32 SER HBx 1.0 1.8 4.62 830 622 A 32 SER HBy A 37 LYS HGy 1.0 1.8 4.62 831 622 A 32 SER HBx A 37 LYS HGx 1.0 1.8 4.62 832 623 A 32 SER H A 32 SER HBx 1.0 1.8 3.85 833 623 A 32 SER HBy A 32 SER H 1.0 1.8 3.85 834 624 A 32 SER H A 33 ASP H 1.0 1.8 5.24 835 625 A 32 SER H A 34 GLY H 1.0 1.8 5.16 836 626 A 32 SER H A 35 THR HA 1.0 1.8 6.05 837 627 A 32 SER H A 35 THR HG2% 1.0 1.8 5.85 838 628 A 32 SER H A 35 THR H 1.0 1.8 3.65 839 629 A 32 SER H A 36 THR HA 1.0 1.8 6.05 840 630 A 32 SER H A 37 LYS HGx 1.0 1.8 5.36 841 630 A 32 SER H A 37 LYS HGy 1.0 1.8 5.36 842 631 A 37 LYS H A 32 SER H 1.0 1.8 4.86 843 632 A 34 GLY H A 33 ASP HA 1.0 1.8 3.66 844 633 A 35 THR H A 33 ASP HA 1.0 1.8 5.40 845 634 A 34 GLY H A 33 ASP HBy 1.0 1.8 5.10 846 635 A 34 GLY H A 33 ASP HBx 1.0 1.8 5.10 847 636 A 35 THR HG2% A 33 ASP HBy 1.0 1.8 5.02 848 636 A 35 THR HG2% A 33 ASP HBx 1.0 1.8 5.02 849 637 A 35 THR H A 33 ASP HBy 1.0 1.8 4.96 850 637 A 35 THR H A 33 ASP HBx 1.0 1.8 4.96 851 638 A 34 GLY H A 33 ASP H 1.0 1.8 3.97 852 639 A 35 THR H A 33 ASP H 1.0 1.8 5.40 853 640 A 34 GLY H A 35 THR H 1.0 1.8 3.55 854 641 A 35 THR HG2% A 35 THR HA 1.0 1.8 3.60 855 642 A 35 THR HA A 36 THR H 1.0 1.8 2.93 856 643 A 36 THR H A 35 THR HB 1.0 1.8 4.16 857 644 A 35 THR HB A 37 LYS HEx 1.0 1.8 5.06 858 644 A 37 LYS HEy A 35 THR HB 1.0 1.8 5.06 859 645 A 35 THR HB A 37 LYS HGx 1.0 1.8 5.47 860 645 A 37 LYS HGy A 35 THR HB 1.0 1.8 5.47 861 646 A 35 THR HG2% A 36 THR H 1.0 1.8 4.35 862 647 A 35 THR HG2% A 37 LYS HEx 1.0 1.8 4.18 863 647 A 35 THR HG2% A 37 LYS HEy 1.0 1.8 4.18 864 648 A 35 THR H A 35 THR HG2% 1.0 1.8 4.00 865 649 A 35 THR H A 36 THR H 1.0 1.8 5.13 866 650 A 36 THR HG2% A 36 THR HA 1.0 1.8 3.70 867 651 A 37 LYS H A 36 THR HA 1.0 1.8 3.16 868 652 A 37 LYS H A 36 THR HB 1.0 1.8 4.93 869 653 A 36 THR HG2% A 37 LYS H 1.0 1.8 3.98 870 654 A 36 THR HB A 36 THR H 1.0 1.8 3.32 871 655 A 36 THR HG2% A 36 THR H 1.0 1.8 4.43 872 656 A 37 LYS HA A 37 LYS HDx 1.0 1.8 4.44 873 656 A 37 LYS HA A 37 LYS HDy 1.0 1.8 4.44 874 657 A 38 SER H A 37 LYS HA 1.0 1.8 3.17 875 658 A 38 SER H A 37 LYS HBx 1.0 1.8 3.61 876 658 A 37 LYS HBy A 38 SER H 1.0 1.8 3.61 877 659 A 37 LYS HEx A 37 LYS HGx 1.0 1.8 3.63 878 659 A 37 LYS HEy A 37 LYS HGx 1.0 1.8 3.63 879 659 A 37 LYS HGy A 37 LYS HEx 1.0 1.8 3.63 880 659 A 37 LYS HGy A 37 LYS HEy 1.0 1.8 3.63 881 660 A 38 SER H A 37 LYS HGx 1.0 1.8 4.96 882 660 A 37 LYS HGy A 38 SER H 1.0 1.8 4.96 883 661 A 37 LYS H A 37 LYS HBx 1.0 1.8 3.84 884 661 A 37 LYS H A 37 LYS HBy 1.0 1.8 3.84 885 662 A 37 LYS H A 37 LYS HEx 1.0 1.8 5.78 886 662 A 37 LYS H A 37 LYS HEy 1.0 1.8 5.78 887 663 A 37 LYS H A 37 LYS HGx 1.0 1.8 4.53 888 663 A 37 LYS H A 37 LYS HGy 1.0 1.8 4.53 889 664 A 37 LYS H A 38 SER H 1.0 1.8 4.99 890 665 A 39 VAL HG1% A 38 SER HA 1.0 1.8 6.00 891 666 A 39 VAL H A 38 SER HA 1.0 1.8 3.30 892 667 A 38 SER HBy A 39 VAL H 1.0 1.8 4.99 893 668 A 40 TYR HE% A 38 SER HBy 1.0 1.8 5.12 894 669 A 39 VAL H A 38 SER HBx 1.0 1.8 4.99 895 670 A 40 TYR HE% A 38 SER HBx 1.0 1.8 5.12 896 671 A 38 SER H A 38 SER HBx 1.0 1.8 3.67 897 671 A 38 SER HBy A 38 SER H 1.0 1.8 3.67 898 672 A 40 TYR HE% A 38 SER H 1.0 1.8 6.05 899 673 A 39 VAL HG1% A 39 VAL HA 1.0 1.8 4.11 900 674 A 39 VAL HG2% A 39 VAL HA 1.0 1.8 3.93 901 675 A 40 TYR HD% A 39 VAL HA 1.0 1.8 4.98 902 676 A 39 VAL HA A 40 TYR H 1.0 1.8 3.58 903 677 A 39 VAL HA A 57 GLY H 1.0 1.8 4.53 904 678 A 39 VAL HB A 40 TYR H 1.0 1.8 5.01 905 679 A 39 VAL HB A 56 PHE HA 1.0 1.8 5.20 906 680 A 39 VAL HB A 56 PHE HD% 1.0 1.8 5.22 907 681 A 39 VAL HB A 56 PHE HE% 1.0 1.8 6.05 908 682 A 39 VAL HG1% A 40 TYR H 1.0 1.8 4.26 909 683 A 39 VAL HG1% A 41 GLN HE22 1.0 1.8 5.02 910 683 A 39 VAL HG1% A 41 GLN HE21 1.0 1.8 5.02 911 684 A 39 VAL HG1% A 41 GLN HGy 1.0 1.8 4.77 912 685 A 39 VAL HG1% A 41 GLN HGx 1.0 1.8 4.77 913 686 A 41 GLN H A 39 VAL HG1% 1.0 1.8 5.33 914 687 A 39 VAL HG1% A 54 SER HBx 1.0 1.8 5.01 915 687 A 39 VAL HG1% A 54 SER HBy 1.0 1.8 5.01 916 688 A 39 VAL HG1% A 56 PHE HA 1.0 1.8 6.05 917 689 A 39 VAL HG1% A 56 PHE HD% 1.0 1.8 5.24 918 690 A 39 VAL HG1% A 56 PHE HE% 1.0 1.8 5.35 919 691 A 39 VAL HG1% A 56 PHE HZ 1.0 1.8 6.02 920 692 A 39 VAL HG2% A 40 TYR H 1.0 1.8 4.32 921 693 A 39 VAL HG2% A 41 GLN HGy 1.0 1.8 5.00 922 693 A 39 VAL HG2% A 41 GLN HGx 1.0 1.8 5.00 923 694 A 41 GLN H A 39 VAL HG2% 1.0 1.8 4.96 924 695 A 39 VAL HG2% A 54 SER HA 1.0 1.8 5.22 925 696 A 39 VAL HG2% A 54 SER HBy 1.0 1.8 4.92 926 697 A 39 VAL HG2% A 54 SER HBx 1.0 1.8 4.92 927 698 A 39 VAL HG2% A 55 SER HA 1.0 1.8 5.50 928 699 A 39 VAL HG2% A 55 SER H 1.0 1.8 4.77 929 700 A 39 VAL HG2% A 56 PHE HA 1.0 1.8 4.36 930 701 A 39 VAL HG2% A 56 PHE HD% 1.0 1.8 4.62 931 702 A 39 VAL HG2% A 56 PHE HE% 1.0 1.8 4.57 932 703 A 39 VAL HG2% A 56 PHE HZ 1.0 1.8 5.44 933 704 A 39 VAL H A 39 VAL HB 1.0 1.8 4.14 934 705 A 39 VAL HG1% A 39 VAL H 1.0 1.8 3.89 935 706 A 39 VAL H A 39 VAL HG2% 1.0 1.8 4.93 936 707 A 40 TYR HA A 40 TYR HD% 1.0 1.8 4.53 937 708 A 41 GLN H A 40 TYR HA 1.0 1.8 3.31 938 709 A 60 LEU HD1% A 40 TYR HBy 1.0 1.8 5.76 939 710 A 55 SER H A 40 TYR HBx 1.0 1.8 5.59 940 711 A 60 LEU HD1% A 40 TYR HBx 1.0 1.8 5.76 941 712 A 40 TYR HBx A 55 SER HBx 1.0 1.8 6.05 942 712 A 40 TYR HBy A 55 SER HBx 1.0 1.8 6.05 943 712 A 55 SER HBy A 40 TYR HBx 1.0 1.8 6.05 944 712 A 40 TYR HBy A 55 SER HBy 1.0 1.8 6.05 945 713 A 60 LEU HD2% A 40 TYR HBx 1.0 1.8 6.05 946 713 A 40 TYR HBy A 60 LEU HD2% 1.0 1.8 6.05 947 714 A 41 GLN H A 40 TYR HD% 1.0 1.8 5.37 948 715 A 40 TYR HD% A 57 GLY H 1.0 1.8 5.58 949 716 A 40 TYR HD% A 59 GLN HA 1.0 1.8 4.66 950 717 A 40 TYR HD% A 59 GLN HGx 1.0 1.8 5.16 951 717 A 40 TYR HD% A 59 GLN HGy 1.0 1.8 5.16 952 718 A 40 TYR HD% A 60 LEU HG 1.0 1.8 5.06 953 719 A 40 TYR HE% A 57 GLY H 1.0 1.8 5.54 954 720 A 40 TYR HE% A 59 GLN HA 1.0 1.8 4.96 955 721 A 40 TYR HE% A 59 GLN HBx 1.0 1.8 4.75 956 721 A 40 TYR HE% A 59 GLN HBy 1.0 1.8 4.75 957 722 A 40 TYR HE% A 59 GLN HGx 1.0 1.8 4.63 958 722 A 40 TYR HE% A 59 GLN HGy 1.0 1.8 4.63 959 723 A 40 TYR HE% A 59 GLN H 1.0 1.8 5.69 960 724 A 40 TYR HD% A 40 TYR H 1.0 1.8 3.92 961 725 A 40 TYR H A 55 SER HBx 1.0 1.8 5.36 962 725 A 40 TYR H A 55 SER HBy 1.0 1.8 5.36 963 726 A 40 TYR H A 55 SER H 1.0 1.8 4.48 964 727 A 40 TYR H A 56 PHE HA 1.0 1.8 5.22 965 728 A 41 GLN HA A 41 GLN HGy 1.0 1.8 4.51 966 729 A 41 GLN HGx A 41 GLN HA 1.0 1.8 4.51 967 730 A 42 GLY H A 41 GLN HA 1.0 1.8 3.38 968 731 A 41 GLN HA A 53 ILE HD1% 1.0 1.8 5.16 969 732 A 54 SER HA A 41 GLN HA 1.0 1.8 4.10 970 733 A 41 GLN HA A 54 SER HBx 1.0 1.8 5.87 971 733 A 54 SER HBy A 41 GLN HA 1.0 1.8 5.87 972 734 A 42 GLY H A 41 GLN HBy 1.0 1.8 4.89 973 735 A 54 SER HA A 41 GLN HBy 1.0 1.8 5.58 974 736 A 42 GLY H A 41 GLN HBx 1.0 1.8 4.89 975 737 A 54 SER HA A 41 GLN HBx 1.0 1.8 5.58 976 738 A 41 GLN HE22 A 54 SER HBx 1.0 1.8 4.92 977 738 A 41 GLN HE21 A 54 SER HBx 1.0 1.8 4.92 978 738 A 54 SER HBy A 41 GLN HE22 1.0 1.8 4.92 979 738 A 41 GLN HE21 A 54 SER HBy 1.0 1.8 4.92 980 739 A 41 GLN HE21 A 41 GLN HGy 1.0 1.8 3.52 981 739 A 41 GLN HE22 A 41 GLN HGy 1.0 1.8 3.52 982 739 A 41 GLN HGx A 41 GLN HE22 1.0 1.8 3.52 983 739 A 41 GLN HE21 A 41 GLN HGx 1.0 1.8 3.52 984 740 A 42 GLY H A 41 GLN HGy 1.0 1.8 5.07 985 740 A 42 GLY H A 41 GLN HGx 1.0 1.8 5.07 986 741 A 54 SER HA A 41 GLN HGy 1.0 1.8 4.80 987 741 A 41 GLN HGx A 54 SER HA 1.0 1.8 4.80 988 742 A 41 GLN H A 41 GLN HGy 1.0 1.8 4.88 989 742 A 41 GLN H A 41 GLN HGx 1.0 1.8 4.88 990 743 A 43 TYR H A 42 GLY H 1.0 1.8 5.50 991 744 A 42 GLY H A 53 ILE HD1% 1.0 1.8 3.97 992 745 A 42 GLY H A 53 ILE H 1.0 1.8 4.43 993 746 A 42 GLY H A 54 SER HA 1.0 1.8 4.96 994 747 A 43 TYR HD% A 43 TYR HA 1.0 1.8 4.69 995 748 A 43 TYR HA A 44 ILE H 1.0 1.8 3.49 996 749 A 43 TYR HA A 50 ARG HGx 1.0 1.8 6.05 997 749 A 43 TYR HA A 50 ARG HGy 1.0 1.8 6.05 998 750 A 43 TYR HA A 52 ARG HA 1.0 1.8 4.04 999 751 A 43 TYR HA A 52 ARG HBx 1.0 1.8 6.05 1000 751 A 43 TYR HA A 52 ARG HBy 1.0 1.8 6.05 1001 752 A 53 ILE HD1% A 43 TYR HA 1.0 1.8 4.19 1002 753 A 53 ILE H A 43 TYR HA 1.0 1.8 4.61 1003 754 A 43 TYR HBy A 44 ILE H 1.0 1.8 4.31 1004 755 A 44 ILE H A 43 TYR HBx 1.0 1.8 5.07 1005 756 A 43 TYR HBx A 50 ARG HGx 1.0 1.8 5.15 1006 756 A 43 TYR HBy A 50 ARG HGx 1.0 1.8 5.15 1007 756 A 50 ARG HGy A 43 TYR HBx 1.0 1.8 5.15 1008 756 A 43 TYR HBy A 50 ARG HGy 1.0 1.8 5.15 1009 757 A 43 TYR HD% A 44 ILE H 1.0 1.8 5.07 1010 758 A 43 TYR HD% A 50 ARG HBx 1.0 1.8 4.84 1011 758 A 43 TYR HD% A 50 ARG HBy 1.0 1.8 4.84 1012 759 A 43 TYR HD% A 50 ARG HGx 1.0 1.8 4.35 1013 759 A 43 TYR HD% A 50 ARG HGy 1.0 1.8 4.35 1014 760 A 51 ILE H A 43 TYR HD% 1.0 1.8 5.49 1015 761 A 43 TYR HD% A 52 ARG HA 1.0 1.8 5.05 1016 762 A 43 TYR HD% A 52 ARG H 1.0 1.8 5.67 1017 763 A 43 TYR HE% A 50 ARG HGx 1.0 1.8 5.27 1018 763 A 50 ARG HGy A 43 TYR HE% 1.0 1.8 5.27 1019 764 A 43 TYR HE% A 52 ARG HBx 1.0 1.8 5.00 1020 764 A 52 ARG HBy A 43 TYR HE% 1.0 1.8 5.00 1021 765 A 43 TYR HE% A 52 ARG HDx 1.0 1.8 4.42 1022 765 A 43 TYR HE% A 52 ARG HDy 1.0 1.8 4.42 1023 766 A 43 TYR H A 43 TYR HD% 1.0 1.8 4.71 1024 767 A 43 TYR H A 44 ILE H 1.0 1.8 4.51 1025 768 A 43 TYR H A 53 ILE HD1% 1.0 1.8 5.76 1026 769 A 44 ILE HD1% A 44 ILE HA 1.0 1.8 4.63 1027 770 A 44 ILE HA A 44 ILE HG1x 1.0 1.8 3.98 1028 770 A 44 ILE HA A 44 ILE HG1y 1.0 1.8 3.98 1029 771 A 45 GLU H A 44 ILE HA 1.0 1.8 3.58 1030 772 A 45 GLU H A 44 ILE HB 1.0 1.8 4.72 1031 773 A 44 ILE HD1% A 45 GLU H 1.0 1.8 5.02 1032 774 A 45 GLU H A 44 ILE HG1y 1.0 1.8 4.21 1033 775 A 45 GLU H A 44 ILE HG1x 1.0 1.8 4.21 1034 776 A 44 ILE HD1% A 44 ILE HG2% 1.0 1.8 3.11 1035 777 A 51 ILE H A 44 ILE HG2% 1.0 1.8 3.94 1036 778 A 52 ARG HA A 44 ILE HG2% 1.0 1.8 5.50 1037 779 A 44 ILE H A 44 ILE HG2% 1.0 1.8 3.51 1038 780 A 45 GLU H A 44 ILE H 1.0 1.8 5.62 1039 781 A 44 ILE H A 50 ARG HBx 1.0 1.8 5.43 1040 781 A 44 ILE H A 50 ARG HBy 1.0 1.8 5.43 1041 782 A 51 ILE HG2% A 44 ILE H 1.0 1.8 5.62 1042 783 A 51 ILE H A 44 ILE H 1.0 1.8 4.07 1043 784 A 44 ILE H A 52 ARG HA 1.0 1.8 4.86 1044 785 A 53 ILE HD1% A 44 ILE H 1.0 1.8 4.40 1045 786 A 44 ILE H A 53 ILE HG2% 1.0 1.8 5.18 1046 787 A 53 ILE H A 44 ILE H 1.0 1.8 5.39 1047 788 A 46 ASP H A 45 GLU HA 1.0 1.8 3.50 1048 789 A 45 GLU HA A 49 ALA H 1.0 1.8 5.95 1049 790 A 45 GLU HA A 50 ARG HA 1.0 1.8 3.95 1050 791 A 45 GLU HA A 50 ARG HGx 1.0 1.8 5.50 1051 791 A 45 GLU HA A 50 ARG HGy 1.0 1.8 5.50 1052 792 A 45 GLU HA A 50 ARG H 1.0 1.8 5.84 1053 793 A 45 GLU HA A 51 ILE H 1.0 1.8 4.75 1054 794 A 46 ASP H A 45 GLU HBy 1.0 1.8 4.88 1055 795 A 46 ASP H A 45 GLU HBx 1.0 1.8 4.16 1056 796 A 50 ARG HA A 45 GLU HBx 1.0 1.8 5.10 1057 796 A 50 ARG HA A 45 GLU HBy 1.0 1.8 5.10 1058 797 A 45 GLU HBx A 50 ARG HBx 1.0 1.8 4.63 1059 797 A 50 ARG HBy A 45 GLU HBx 1.0 1.8 4.63 1060 797 A 50 ARG HBy A 45 GLU HBy 1.0 1.8 4.63 1061 797 A 45 GLU HBy A 50 ARG HBx 1.0 1.8 4.63 1062 798 A 45 GLU HBy A 50 ARG HGx 1.0 1.8 4.64 1063 798 A 45 GLU HBx A 50 ARG HGx 1.0 1.8 4.64 1064 798 A 50 ARG HGy A 45 GLU HBx 1.0 1.8 4.64 1065 798 A 50 ARG HGy A 45 GLU HBy 1.0 1.8 4.64 1066 799 A 46 ASP H A 45 GLU HGx 1.0 1.8 5.20 1067 799 A 46 ASP H A 45 GLU HGy 1.0 1.8 5.20 1068 800 A 45 GLU H A 45 GLU HGx 1.0 1.8 4.30 1069 800 A 45 GLU H A 45 GLU HGy 1.0 1.8 4.30 1070 801 A 47 ASP H A 46 ASP HBy 1.0 1.8 4.17 1071 802 A 47 ASP H A 46 ASP HBx 1.0 1.8 4.17 1072 803 A 48 THR H A 46 ASP HBy 1.0 1.8 5.39 1073 803 A 46 ASP HBx A 48 THR H 1.0 1.8 5.39 1074 804 A 46 ASP H A 47 ASP H 1.0 1.8 5.54 1075 805 A 46 ASP H A 48 THR H 1.0 1.8 5.36 1076 806 A 46 ASP H A 49 ALA H 1.0 1.8 4.02 1077 807 A 46 ASP H A 50 ARG HA 1.0 1.8 4.49 1078 808 A 47 ASP H A 47 ASP HBx 1.0 1.8 3.81 1079 808 A 47 ASP H A 47 ASP HBy 1.0 1.8 3.81 1080 809 A 47 ASP H A 48 THR H 1.0 1.8 4.03 1081 810 A 49 ALA H A 47 ASP H 1.0 1.8 5.32 1082 811 A 48 THR HG2% A 48 THR HA 1.0 1.8 3.57 1083 812 A 49 ALA HB% A 48 THR HA 1.0 1.8 5.81 1084 813 A 48 THR HB A 49 ALA HB% 1.0 1.8 4.88 1085 814 A 48 THR HB A 49 ALA H 1.0 1.8 5.29 1086 815 A 48 THR HG2% A 49 ALA H 1.0 1.8 4.59 1087 816 A 48 THR HG2% A 48 THR H 1.0 1.8 4.09 1088 817 A 49 ALA HB% A 48 THR H 1.0 1.8 5.78 1089 818 A 49 ALA H A 48 THR H 1.0 1.8 3.59 1090 819 A 50 ARG H A 49 ALA HA 1.0 1.8 3.42 1091 820 A 49 ALA HB% A 50 ARG H 1.0 1.8 3.54 1092 821 A 50 ARG H A 49 ALA H 1.0 1.8 5.13 1093 822 A 50 ARG HA A 51 ILE HG2% 1.0 1.8 5.07 1094 823 A 50 ARG HA A 51 ILE H 1.0 1.8 3.52 1095 824 A 50 ARG HE A 50 ARG HBx 1.0 1.8 4.96 1096 824 A 50 ARG HBy A 50 ARG HE 1.0 1.8 4.96 1097 825 A 51 ILE H A 50 ARG HBx 1.0 1.8 4.55 1098 825 A 51 ILE H A 50 ARG HBy 1.0 1.8 4.55 1099 826 A 50 ARG HE A 50 ARG HGx 1.0 1.8 4.40 1100 826 A 50 ARG HGy A 50 ARG HE 1.0 1.8 4.40 1101 827 A 51 ILE H A 50 ARG HGx 1.0 1.8 5.31 1102 827 A 51 ILE H A 50 ARG HGy 1.0 1.8 5.31 1103 828 A 50 ARG H A 50 ARG HBx 1.0 1.8 3.67 1104 828 A 50 ARG H A 50 ARG HBy 1.0 1.8 3.67 1105 829 A 50 ARG H A 50 ARG HGx 1.0 1.8 4.39 1106 829 A 50 ARG H A 50 ARG HGy 1.0 1.8 4.39 1107 830 A 50 ARG H A 51 ILE HG2% 1.0 1.8 6.05 1108 831 A 50 ARG H A 51 ILE H 1.0 1.8 5.48 1109 832 A 51 ILE HD1% A 51 ILE HA 1.0 1.8 4.43 1110 833 A 51 ILE HA A 51 ILE HG1y 1.0 1.8 4.39 1111 834 A 51 ILE HA A 51 ILE HG1x 1.0 1.8 4.39 1112 835 A 52 ARG H A 51 ILE HA 1.0 1.8 3.55 1113 836 A 51 ILE HB A 51 ILE HD1% 1.0 1.8 3.51 1114 837 A 51 ILE HB A 52 ARG H 1.0 1.8 5.30 1115 838 A 51 ILE HD1% A 52 ARG H 1.0 1.8 4.61 1116 839 A 51 ILE HD1% A 80 LEU HBy 1.0 1.8 4.17 1117 840 A 51 ILE HD1% A 80 LEU HBx 1.0 1.8 4.17 1118 841 A 51 ILE HD1% A 81 SER HA 1.0 1.8 4.19 1119 842 A 51 ILE HD1% A 81 SER H 1.0 1.8 5.06 1120 843 A 51 ILE HD1% A 82 LEU HD2% 1.0 1.8 4.10 1121 844 A 51 ILE HD1% A 82 LEU HG 1.0 1.8 3.38 1122 845 A 51 ILE HD1% A 82 LEU H 1.0 1.8 5.42 1123 846 A 52 ARG HA A 51 ILE HG1x 1.0 1.8 5.71 1124 846 A 52 ARG HA A 51 ILE HG1y 1.0 1.8 5.71 1125 847 A 52 ARG H A 51 ILE HG1x 1.0 1.8 3.73 1126 847 A 52 ARG H A 51 ILE HG1y 1.0 1.8 3.73 1127 848 A 81 SER HA A 51 ILE HG1x 1.0 1.8 3.92 1128 848 A 81 SER HA A 51 ILE HG1y 1.0 1.8 3.92 1129 849 A 51 ILE HG2% A 51 ILE HD1% 1.0 1.8 3.53 1130 850 A 51 ILE HG2% A 81 SER HA 1.0 1.8 5.48 1131 851 A 51 ILE HG2% A 82 LEU HD1% 1.0 1.8 4.19 1132 852 A 51 ILE HG2% A 82 LEU HD2% 1.0 1.8 4.68 1133 853 A 51 ILE HG2% A 82 LEU HG 1.0 1.8 3.81 1134 854 A 51 ILE HB A 51 ILE H 1.0 1.8 4.22 1135 855 A 51 ILE HG2% A 51 ILE H 1.0 1.8 4.10 1136 856 A 52 ARG HA A 52 ARG HDx 1.0 1.8 5.14 1137 856 A 52 ARG HA A 52 ARG HDy 1.0 1.8 5.14 1138 857 A 52 ARG HA A 53 ILE HA 1.0 1.8 6.05 1139 858 A 53 ILE H A 52 ARG HA 1.0 1.8 3.39 1140 859 A 52 ARG HBx A 52 ARG HDx 1.0 1.8 3.65 1141 859 A 52 ARG HBy A 52 ARG HDx 1.0 1.8 3.65 1142 859 A 52 ARG HDy A 52 ARG HBx 1.0 1.8 3.65 1143 859 A 52 ARG HBy A 52 ARG HDy 1.0 1.8 3.65 1144 860 A 52 ARG HE A 52 ARG HBx 1.0 1.8 5.14 1145 860 A 52 ARG HBy A 52 ARG HE 1.0 1.8 5.14 1146 861 A 52 ARG HBx A 81 SER HBx 1.0 1.8 4.16 1147 861 A 52 ARG HBy A 81 SER HBx 1.0 1.8 4.16 1148 861 A 81 SER HBy A 52 ARG HBx 1.0 1.8 4.16 1149 861 A 52 ARG HBy A 81 SER HBy 1.0 1.8 4.16 1150 862 A 53 ILE H A 52 ARG HDx 1.0 1.8 5.33 1151 862 A 53 ILE H A 52 ARG HDy 1.0 1.8 5.33 1152 863 A 52 ARG HDx A 81 SER HBx 1.0 1.8 4.95 1153 863 A 52 ARG HDy A 81 SER HBx 1.0 1.8 4.95 1154 863 A 81 SER HBy A 52 ARG HDx 1.0 1.8 4.95 1155 863 A 52 ARG HDy A 81 SER HBy 1.0 1.8 4.95 1156 864 A 53 ILE H A 52 ARG HGx 1.0 1.8 5.53 1157 864 A 53 ILE H A 52 ARG HGy 1.0 1.8 5.53 1158 865 A 52 ARG HGx A 81 SER HBx 1.0 1.8 4.08 1159 865 A 52 ARG HGy A 81 SER HBx 1.0 1.8 4.08 1160 865 A 81 SER HBy A 52 ARG HGx 1.0 1.8 4.08 1161 865 A 81 SER HBy A 52 ARG HGy 1.0 1.8 4.08 1162 866 A 52 ARG H A 52 ARG HDx 1.0 1.8 5.27 1163 866 A 52 ARG H A 52 ARG HDy 1.0 1.8 5.27 1164 867 A 52 ARG H A 52 ARG HGx 1.0 1.8 4.88 1165 867 A 52 ARG H A 52 ARG HGy 1.0 1.8 4.88 1166 868 A 53 ILE HD1% A 53 ILE HA 1.0 1.8 4.51 1167 869 A 53 ILE HA A 54 SER H 1.0 1.8 3.47 1168 870 A 53 ILE HA A 81 SER HBy 1.0 1.8 6.05 1169 871 A 53 ILE HA A 81 SER HBx 1.0 1.8 6.05 1170 872 A 53 ILE HA A 82 LEU HBy 1.0 1.8 5.36 1171 873 A 53 ILE HA A 82 LEU HBx 1.0 1.8 4.86 1172 874 A 82 LEU HD1% A 53 ILE HA 1.0 1.8 5.28 1173 875 A 82 LEU HG A 53 ILE HA 1.0 1.8 6.05 1174 876 A 82 LEU H A 53 ILE HA 1.0 1.8 3.94 1175 877 A 53 ILE HD1% A 53 ILE HB 1.0 1.8 3.65 1176 878 A 82 LEU HD1% A 53 ILE HB 1.0 1.8 5.17 1177 879 A 82 LEU H A 53 ILE HB 1.0 1.8 4.95 1178 880 A 54 SER H A 53 ILE HG1y 1.0 1.8 5.19 1179 881 A 54 SER H A 53 ILE HG1x 1.0 1.8 5.19 1180 882 A 53 ILE HG1y A 82 LEU HBx 1.0 1.8 5.27 1181 882 A 53 ILE HG1x A 82 LEU HBx 1.0 1.8 5.27 1182 882 A 82 LEU HBy A 53 ILE HG1x 1.0 1.8 5.27 1183 882 A 53 ILE HG1y A 82 LEU HBy 1.0 1.8 5.27 1184 883 A 53 ILE HG2% A 53 ILE HG1y 1.0 1.8 4.03 1185 884 A 53 ILE HG2% A 53 ILE HG1x 1.0 1.8 3.40 1186 884 A 53 ILE HG2% A 53 ILE HG1y 1.0 1.8 3.40 1187 885 A 53 ILE HG2% A 54 SER H 1.0 1.8 4.33 1188 886 A 53 ILE HG2% A 82 LEU HBx 1.0 1.8 5.19 1189 886 A 53 ILE HG2% A 82 LEU HBy 1.0 1.8 5.19 1190 887 A 82 LEU HD1% A 53 ILE HG2% 1.0 1.8 3.83 1191 888 A 54 SER HA A 55 SER H 1.0 1.8 3.59 1192 889 A 54 SER HBy A 55 SER H 1.0 1.8 5.38 1193 890 A 56 PHE HE% A 54 SER HBy 1.0 1.8 5.83 1194 891 A 55 SER H A 54 SER HBx 1.0 1.8 5.38 1195 892 A 56 PHE HE% A 54 SER HBx 1.0 1.8 5.83 1196 893 A 56 PHE HZ A 54 SER HBx 1.0 1.8 4.99 1197 893 A 54 SER HBy A 56 PHE HZ 1.0 1.8 4.99 1198 894 A 83 SER HA A 54 SER HBx 1.0 1.8 5.87 1199 894 A 54 SER HBy A 83 SER HA 1.0 1.8 5.87 1200 895 A 55 SER H A 54 SER H 1.0 1.8 5.60 1201 896 A 54 SER H A 82 LEU HBx 1.0 1.8 5.51 1202 896 A 54 SER H A 82 LEU HBy 1.0 1.8 5.51 1203 897 A 82 LEU H A 54 SER H 1.0 1.8 4.97 1204 898 A 54 SER H A 83 SER HA 1.0 1.8 4.40 1205 899 A 54 SER H A 84 VAL H 1.0 1.8 5.85 1206 900 A 55 SER HA A 56 PHE H 1.0 1.8 3.74 1207 901 A 60 LEU HD1% A 55 SER HA 1.0 1.8 5.09 1208 902 A 55 SER HA A 84 VAL HB 1.0 1.8 3.75 1209 903 A 55 SER HA A 84 VAL HG1% 1.0 1.8 4.52 1210 904 A 55 SER HA A 84 VAL HG2% 1.0 1.8 4.30 1211 905 A 55 SER HA A 84 VAL H 1.0 1.8 4.51 1212 906 A 55 SER HBy A 56 PHE H 1.0 1.8 5.95 1213 907 A 60 LEU HD1% A 55 SER HBy 1.0 1.8 4.35 1214 908 A 55 SER HBy A 60 LEU HG 1.0 1.8 5.06 1215 909 A 55 SER HBy A 84 VAL HB 1.0 1.8 5.31 1216 910 A 56 PHE H A 55 SER HBx 1.0 1.8 5.95 1217 911 A 60 LEU HD1% A 55 SER HBx 1.0 1.8 4.35 1218 912 A 60 LEU HG A 55 SER HBx 1.0 1.8 5.06 1219 913 A 84 VAL HB A 55 SER HBx 1.0 1.8 5.31 1220 914 A 84 VAL HG2% A 55 SER HBx 1.0 1.8 4.82 1221 914 A 55 SER HBy A 84 VAL HG2% 1.0 1.8 4.82 1222 915 A 55 SER HG A 58 LYS HBx 1.0 1.8 4.65 1223 915 A 55 SER HG A 58 LYS HBy 1.0 1.8 4.65 1224 916 A 55 SER HG A 58 LYS H 1.0 1.8 4.40 1225 917 A 55 SER H A 56 PHE H 1.0 1.8 5.40 1226 918 A 60 LEU HD1% A 55 SER H 1.0 1.8 5.20 1227 919 A 57 GLY H A 56 PHE HA 1.0 1.8 3.73 1228 920 A 57 GLY H A 56 PHE HBy 1.0 1.8 6.05 1229 921 A 57 GLY H A 56 PHE HBx 1.0 1.8 6.05 1230 922 A 86 ASP H A 56 PHE HBy 1.0 1.8 6.00 1231 922 A 56 PHE HBx A 86 ASP H 1.0 1.8 6.00 1232 923 A 56 PHE H A 56 PHE HBy 1.0 1.8 3.89 1233 923 A 56 PHE H A 56 PHE HBx 1.0 1.8 3.89 1234 924 A 56 PHE HD% A 56 PHE H 1.0 1.8 4.54 1235 925 A 57 GLY H A 56 PHE H 1.0 1.8 5.39 1236 926 A 56 PHE H A 84 VAL HB 1.0 1.8 4.00 1237 927 A 56 PHE H A 84 VAL HG1% 1.0 1.8 5.56 1238 928 A 84 VAL H A 56 PHE H 1.0 1.8 5.00 1239 929 A 56 PHE H A 85 GLY HAy 1.0 1.8 5.00 1240 929 A 56 PHE H A 85 GLY HAx 1.0 1.8 5.00 1241 930 A 57 GLY H A 58 LYS H 1.0 1.8 4.36 1242 931 A 58 LYS HA A 58 LYS HDx 1.0 1.8 5.26 1243 931 A 58 LYS HA A 58 LYS HDy 1.0 1.8 5.26 1244 932 A 58 LYS HA A 58 LYS HGy 1.0 1.8 4.46 1245 933 A 58 LYS HA A 58 LYS HGx 1.0 1.8 4.46 1246 934 A 58 LYS HA A 59 GLN HBx 1.0 1.8 5.75 1247 934 A 59 GLN HBy A 58 LYS HA 1.0 1.8 5.75 1248 935 A 59 GLN H A 58 LYS HA 1.0 1.8 3.16 1249 936 A 58 LYS HBx A 58 LYS HEx 1.0 1.8 5.20 1250 936 A 58 LYS HEy A 58 LYS HBx 1.0 1.8 5.20 1251 936 A 58 LYS HBy A 58 LYS HEy 1.0 1.8 5.20 1252 936 A 58 LYS HBy A 58 LYS HEx 1.0 1.8 5.20 1253 937 A 84 VAL HG1% A 58 LYS HBx 1.0 1.8 5.93 1254 937 A 84 VAL HG1% A 58 LYS HBy 1.0 1.8 5.93 1255 938 A 90 ILE HD1% A 58 LYS HBx 1.0 1.8 4.10 1256 938 A 58 LYS HBy A 90 ILE HD1% 1.0 1.8 4.10 1257 939 A 84 VAL HG1% A 58 LYS HDx 1.0 1.8 4.68 1258 939 A 84 VAL HG1% A 58 LYS HDy 1.0 1.8 4.68 1259 940 A 90 ILE HD1% A 58 LYS HDx 1.0 1.8 3.27 1260 940 A 58 LYS HDy A 90 ILE HD1% 1.0 1.8 3.27 1261 941 A 84 VAL HG1% A 58 LYS HEx 1.0 1.8 4.99 1262 941 A 84 VAL HG1% A 58 LYS HEy 1.0 1.8 4.99 1263 942 A 86 ASP HA A 58 LYS HEx 1.0 1.8 4.32 1264 942 A 58 LYS HEy A 86 ASP HA 1.0 1.8 4.32 1265 943 A 90 ILE HD1% A 58 LYS HEx 1.0 1.8 4.71 1266 943 A 58 LYS HEy A 90 ILE HD1% 1.0 1.8 4.71 1267 944 A 58 LYS HEy A 58 LYS HGy 1.0 1.8 4.53 1268 944 A 58 LYS HEx A 58 LYS HGy 1.0 1.8 4.53 1269 945 A 59 GLN H A 58 LYS HGy 1.0 1.8 5.79 1270 946 A 58 LYS HGx A 58 LYS HEx 1.0 1.8 4.53 1271 946 A 58 LYS HEy A 58 LYS HGx 1.0 1.8 4.53 1272 947 A 59 GLN H A 58 LYS HGx 1.0 1.8 5.79 1273 948 A 58 LYS H A 58 LYS HBx 1.0 1.8 3.77 1274 948 A 58 LYS HBy A 58 LYS H 1.0 1.8 3.77 1275 949 A 58 LYS H A 58 LYS HGy 1.0 1.8 4.22 1276 949 A 58 LYS H A 58 LYS HGx 1.0 1.8 4.22 1277 950 A 59 GLN H A 58 LYS H 1.0 1.8 5.29 1278 951 A 58 LYS H A 90 ILE HD1% 1.0 1.8 5.73 1279 952 A 59 GLN HA A 60 LEU H 1.0 1.8 3.82 1280 953 A 59 GLN HE21 A 59 GLN HBx 1.0 1.8 5.57 1281 953 A 59 GLN HBy A 59 GLN HE21 1.0 1.8 5.57 1282 954 A 59 GLN HE21 A 61 GLN HGx 1.0 1.8 5.44 1283 954 A 59 GLN HE21 A 61 GLN HGy 1.0 1.8 5.44 1284 955 A 59 GLN HE22 A 61 GLN HGx 1.0 1.8 5.44 1285 955 A 61 GLN HGy A 59 GLN HE22 1.0 1.8 5.44 1286 956 A 60 LEU HA A 59 GLN HGx 1.0 1.8 5.27 1287 956 A 59 GLN HGy A 60 LEU HA 1.0 1.8 5.27 1288 957 A 60 LEU H A 59 GLN HGx 1.0 1.8 4.38 1289 957 A 59 GLN HGy A 60 LEU H 1.0 1.8 4.38 1290 958 A 59 GLN HGy A 61 GLN HGx 1.0 1.8 4.10 1291 958 A 61 GLN HGy A 59 GLN HGx 1.0 1.8 4.10 1292 958 A 59 GLN HGy A 61 GLN HGy 1.0 1.8 4.10 1293 958 A 59 GLN HGx A 61 GLN HGx 1.0 1.8 4.10 1294 959 A 59 GLN H A 59 GLN HBx 1.0 1.8 3.33 1295 959 A 59 GLN HBy A 59 GLN H 1.0 1.8 3.33 1296 960 A 59 GLN H A 59 GLN HGx 1.0 1.8 5.06 1297 960 A 59 GLN HGy A 59 GLN H 1.0 1.8 5.06 1298 961 A 60 LEU HD1% A 60 LEU HA 1.0 1.8 5.04 1299 962 A 60 LEU HD2% A 60 LEU HA 1.0 1.8 3.60 1300 963 A 61 GLN H A 60 LEU HA 1.0 1.8 3.40 1301 964 A 60 LEU HD1% A 60 LEU HBy 1.0 1.8 4.32 1302 965 A 60 LEU HD2% A 60 LEU HBy 1.0 1.8 4.40 1303 966 A 60 LEU HD1% A 60 LEU HBx 1.0 1.8 4.32 1304 967 A 60 LEU HD2% A 60 LEU HBx 1.0 1.8 4.40 1305 968 A 61 GLN H A 60 LEU HBx 1.0 1.8 4.53 1306 968 A 61 GLN H A 60 LEU HBy 1.0 1.8 4.53 1307 969 A 60 LEU HD1% A 84 VAL HG2% 1.0 1.8 4.98 1308 970 A 60 LEU HD2% A 61 GLN HGx 1.0 1.8 5.91 1309 970 A 60 LEU HD2% A 61 GLN HGy 1.0 1.8 5.91 1310 971 A 61 GLN H A 60 LEU HD2% 1.0 1.8 4.39 1311 972 A 60 LEU HD2% A 90 ILE HD1% 1.0 1.8 3.67 1312 973 A 60 LEU HD2% A 90 ILE HG2% 1.0 1.8 3.96 1313 974 A 60 LEU HD2% A 60 LEU H 1.0 1.8 5.41 1314 975 A 62 ASP H A 61 GLN HA 1.0 1.8 3.10 1315 976 A 62 ASP H A 61 GLN HBx 1.0 1.8 3.88 1316 976 A 62 ASP H A 61 GLN HBy 1.0 1.8 3.88 1317 977 A 61 GLN HBy A 64 ASP HBy 1.0 1.8 4.62 1318 977 A 61 GLN HBx A 64 ASP HBy 1.0 1.8 4.62 1319 977 A 64 ASP HBx A 61 GLN HBx 1.0 1.8 4.62 1320 977 A 64 ASP HBx A 61 GLN HBy 1.0 1.8 4.62 1321 978 A 61 GLN H A 61 GLN HBx 1.0 1.8 3.72 1322 978 A 61 GLN H A 61 GLN HBy 1.0 1.8 3.72 1323 979 A 61 GLN H A 61 GLN HGx 1.0 1.8 4.41 1324 979 A 61 GLN H A 61 GLN HGy 1.0 1.8 4.41 1325 980 A 61 GLN H A 64 ASP HBy 1.0 1.8 5.53 1326 981 A 64 ASP HBx A 61 GLN H 1.0 1.8 5.53 1327 982 A 62 ASP HA A 63 SER H 1.0 1.8 3.60 1328 983 A 62 ASP HA A 64 ASP H 1.0 1.8 4.66 1329 984 A 62 ASP HBx A 63 SER HBx 1.0 1.8 5.70 1330 984 A 62 ASP HBy A 63 SER HBx 1.0 1.8 5.70 1331 984 A 63 SER HBy A 62 ASP HBy 1.0 1.8 5.70 1332 984 A 63 SER HBy A 62 ASP HBx 1.0 1.8 5.70 1333 985 A 63 SER H A 62 ASP HBy 1.0 1.8 4.41 1334 985 A 63 SER H A 62 ASP HBx 1.0 1.8 4.41 1335 986 A 62 ASP H A 62 ASP HBy 1.0 1.8 3.52 1336 986 A 62 ASP H A 62 ASP HBx 1.0 1.8 3.52 1337 987 A 63 SER H A 62 ASP H 1.0 1.8 6.05 1338 988 A 63 SER H A 64 ASP H 1.0 1.8 4.09 1339 989 A 64 ASP HA A 65 VAL H 1.0 1.8 3.26 1340 990 A 66 VAL HG1% A 64 ASP HBy 1.0 1.8 4.69 1341 991 A 66 VAL HG1% A 64 ASP HBx 1.0 1.8 4.69 1342 992 A 65 VAL H A 64 ASP HBy 1.0 1.8 4.04 1343 992 A 64 ASP HBx A 65 VAL H 1.0 1.8 4.04 1344 993 A 64 ASP H A 64 ASP HBy 1.0 1.8 4.22 1345 994 A 64 ASP H A 64 ASP HBx 1.0 1.8 4.22 1346 995 A 64 ASP H A 65 VAL H 1.0 1.8 4.80 1347 996 A 65 VAL HA A 65 VAL HG1% 1.0 1.8 3.84 1348 997 A 65 VAL HA A 65 VAL HG2% 1.0 1.8 3.84 1349 998 A 65 VAL HA A 66 VAL HG2% 1.0 1.8 4.85 1350 999 A 65 VAL HA A 66 VAL H 1.0 1.8 3.54 1351 1000 A 65 VAL HG1% A 66 VAL H 1.0 1.8 4.81 1352 1001 A 66 VAL H A 65 VAL HG2% 1.0 1.8 4.81 1353 1002 A 65 VAL H A 65 VAL HB 1.0 1.8 3.78 1354 1003 A 65 VAL HG1% A 65 VAL H 1.0 1.8 4.31 1355 1004 A 65 VAL H A 65 VAL HG2% 1.0 1.8 4.31 1356 1005 A 65 VAL H A 66 VAL H 1.0 1.8 5.33 1357 1006 A 66 VAL HG1% A 66 VAL HA 1.0 1.8 3.70 1358 1007 A 66 VAL HA A 67 ARG HBx 1.0 1.8 5.87 1359 1007 A 67 ARG HBy A 66 VAL HA 1.0 1.8 5.87 1360 1008 A 66 VAL HA A 67 ARG H 1.0 1.8 3.83 1361 1009 A 66 VAL HA A 92 SER HA 1.0 1.8 4.04 1362 1010 A 66 VAL HA A 93 VAL HG2% 1.0 1.8 4.30 1363 1011 A 66 VAL HA A 93 VAL H 1.0 1.8 4.33 1364 1012 A 67 ARG H A 66 VAL HB 1.0 1.8 4.04 1365 1013 A 66 VAL HB A 68 ILE HG1x 1.0 1.8 4.79 1366 1013 A 68 ILE HG1y A 66 VAL HB 1.0 1.8 4.79 1367 1014 A 90 ILE HG2% A 66 VAL HB 1.0 1.8 3.78 1368 1015 A 66 VAL HB A 91 GLU H 1.0 1.8 4.93 1369 1016 A 92 SER HA A 66 VAL HB 1.0 1.8 5.07 1370 1017 A 66 VAL HG1% A 67 ARG H 1.0 1.8 4.57 1371 1018 A 66 VAL HG1% A 92 SER HA 1.0 1.8 3.76 1372 1019 A 66 VAL HG1% A 92 SER HBx 1.0 1.8 4.77 1373 1019 A 66 VAL HG1% A 92 SER HBy 1.0 1.8 4.77 1374 1020 A 66 VAL HG1% A 93 VAL H 1.0 1.8 5.03 1375 1021 A 66 VAL HG2% A 67 ARG H 1.0 1.8 4.91 1376 1022 A 66 VAL HG2% A 68 ILE HD1% 1.0 1.8 3.48 1377 1023 A 66 VAL HG2% A 68 ILE HG1x 1.0 1.8 3.63 1378 1023 A 68 ILE HG1y A 66 VAL HG2% 1.0 1.8 3.63 1379 1024 A 66 VAL HG2% A 66 VAL H 1.0 1.8 3.47 1380 1025 A 67 ARG HA A 67 ARG HGy 1.0 1.8 4.00 1381 1025 A 67 ARG HA A 67 ARG HGx 1.0 1.8 4.00 1382 1026 A 68 ILE H A 67 ARG HA 1.0 1.8 3.45 1383 1027 A 67 ARG HBx A 67 ARG HDx 1.0 1.8 3.63 1384 1027 A 67 ARG HBy A 67 ARG HDx 1.0 1.8 3.63 1385 1027 A 67 ARG HDy A 67 ARG HBx 1.0 1.8 3.63 1386 1027 A 67 ARG HBy A 67 ARG HDy 1.0 1.8 3.63 1387 1028 A 93 VAL HG2% A 67 ARG HBx 1.0 1.8 5.46 1388 1028 A 67 ARG HBy A 93 VAL HG2% 1.0 1.8 5.46 1389 1029 A 93 VAL HG2% A 67 ARG HDx 1.0 1.8 5.83 1390 1029 A 67 ARG HDy A 93 VAL HG2% 1.0 1.8 5.83 1391 1030 A 68 ILE H A 67 ARG HGy 1.0 1.8 5.90 1392 1031 A 68 ILE H A 67 ARG HGx 1.0 1.8 5.90 1393 1032 A 68 ILE H A 67 ARG HGy 1.0 1.8 4.96 1394 1032 A 68 ILE H A 67 ARG HGx 1.0 1.8 4.96 1395 1033 A 93 VAL HG2% A 67 ARG HGy 1.0 1.8 5.87 1396 1033 A 67 ARG HGx A 93 VAL HG2% 1.0 1.8 5.87 1397 1034 A 67 ARG H A 91 GLU H 1.0 1.8 4.83 1398 1035 A 67 ARG H A 93 VAL HG2% 1.0 1.8 4.51 1399 1036 A 67 ARG H A 93 VAL H 1.0 1.8 5.57 1400 1037 A 68 ILE HD1% A 68 ILE HA 1.0 1.8 4.55 1401 1038 A 68 ILE HA A 69 ASP H 1.0 1.8 3.55 1402 1039 A 68 ILE HA A 90 ILE HA 1.0 1.8 4.66 1403 1040 A 68 ILE HB A 84 VAL HG1% 1.0 1.8 5.69 1404 1041 A 68 ILE HD1% A 69 ASP H 1.0 1.8 5.37 1405 1042 A 90 ILE HG2% A 68 ILE HD1% 1.0 1.8 5.60 1406 1043 A 69 ASP H A 68 ILE HG1x 1.0 1.8 5.87 1407 1043 A 68 ILE HG1y A 69 ASP H 1.0 1.8 5.87 1408 1044 A 68 ILE HG2% A 68 ILE HD1% 1.0 1.8 3.30 1409 1045 A 68 ILE HG2% A 68 ILE HG1y 1.0 1.8 4.36 1410 1046 A 68 ILE HG2% A 68 ILE HG1x 1.0 1.8 4.36 1411 1047 A 68 ILE HG2% A 69 ASP HA 1.0 1.8 5.61 1412 1048 A 68 ILE HG2% A 69 ASP H 1.0 1.8 4.18 1413 1049 A 68 ILE HG2% A 71 ALA HA 1.0 1.8 5.16 1414 1050 A 71 ALA HB% A 68 ILE HG2% 1.0 1.8 3.52 1415 1051 A 68 ILE HG2% A 84 VAL HA 1.0 1.8 5.39 1416 1052 A 68 ILE HG2% A 84 VAL HB 1.0 1.8 5.33 1417 1053 A 68 ILE HG2% A 84 VAL HG1% 1.0 1.8 3.65 1418 1054 A 68 ILE HG2% A 88 SER HBx 1.0 1.8 4.39 1419 1054 A 68 ILE HG2% A 88 SER HBy 1.0 1.8 4.39 1420 1055 A 68 ILE HG2% A 89 ARG H 1.0 1.8 4.77 1421 1056 A 68 ILE HG2% A 90 ILE HA 1.0 1.8 5.08 1422 1057 A 68 ILE HG2% A 90 ILE HG1x 1.0 1.8 4.86 1423 1057 A 68 ILE HG2% A 90 ILE HG1y 1.0 1.8 4.86 1424 1058 A 68 ILE HB A 68 ILE H 1.0 1.8 3.95 1425 1059 A 68 ILE H A 68 ILE HD1% 1.0 1.8 5.14 1426 1060 A 68 ILE H A 68 ILE HG1x 1.0 1.8 3.95 1427 1060 A 68 ILE HG1y A 68 ILE H 1.0 1.8 3.95 1428 1061 A 68 ILE HG2% A 68 ILE H 1.0 1.8 4.41 1429 1062 A 70 ASN HA A 69 ASP HA 1.0 1.8 5.21 1430 1063 A 70 ASN H A 69 ASP HA 1.0 1.8 3.59 1431 1064 A 71 ALA H A 69 ASP HA 1.0 1.8 5.61 1432 1065 A 70 ASN H A 69 ASP HBy 1.0 1.8 5.17 1433 1066 A 69 ASP HBy A 89 ARG HBy 1.0 1.8 5.14 1434 1067 A 89 ARG HBx A 69 ASP HBy 1.0 1.8 5.14 1435 1068 A 70 ASN H A 69 ASP HBx 1.0 1.8 5.17 1436 1069 A 69 ASP HBx A 89 ARG HBy 1.0 1.8 5.14 1437 1070 A 69 ASP HBx A 89 ARG HBx 1.0 1.8 5.14 1438 1071 A 89 ARG H A 69 ASP HBy 1.0 1.8 4.40 1439 1071 A 69 ASP HBx A 89 ARG H 1.0 1.8 4.40 1440 1072 A 69 ASP H A 89 ARG HBy 1.0 1.8 5.10 1441 1072 A 69 ASP H A 89 ARG HBx 1.0 1.8 5.10 1442 1073 A 69 ASP H A 89 ARG H 1.0 1.8 4.18 1443 1074 A 70 ASN HA A 71 ALA H 1.0 1.8 3.64 1444 1075 A 88 SER HA A 70 ASN HBy 1.0 1.8 4.27 1445 1076 A 70 ASN HBx A 88 SER HA 1.0 1.8 4.27 1446 1077 A 70 ASN HBx A 70 ASN HD22 1.0 1.8 3.53 1447 1077 A 70 ASN HBx A 70 ASN HD21 1.0 1.8 3.53 1448 1077 A 70 ASN HD22 A 70 ASN HBy 1.0 1.8 3.53 1449 1077 A 70 ASN HD21 A 70 ASN HBy 1.0 1.8 3.53 1450 1078 A 70 ASN HBy A 88 SER HBx 1.0 1.8 5.21 1451 1078 A 70 ASN HBx A 88 SER HBx 1.0 1.8 5.21 1452 1078 A 88 SER HBy A 70 ASN HBy 1.0 1.8 5.21 1453 1078 A 70 ASN HBx A 88 SER HBy 1.0 1.8 5.21 1454 1079 A 89 ARG H A 70 ASN HBy 1.0 1.8 4.74 1455 1079 A 70 ASN HBx A 89 ARG H 1.0 1.8 4.74 1456 1080 A 70 ASN HD21 A 87 SER HBy 1.0 1.8 6.05 1457 1081 A 70 ASN HD21 A 87 SER HBx 1.0 1.8 6.05 1458 1082 A 70 ASN HD22 A 87 SER HBy 1.0 1.8 6.05 1459 1083 A 70 ASN HD22 A 87 SER HBx 1.0 1.8 6.05 1460 1084 A 88 SER HBy A 70 ASN HD21 1.0 1.8 5.70 1461 1084 A 70 ASN HD22 A 88 SER HBx 1.0 1.8 5.70 1462 1084 A 88 SER HBy A 70 ASN HD22 1.0 1.8 5.70 1463 1084 A 70 ASN HD21 A 88 SER HBx 1.0 1.8 5.70 1464 1085 A 70 ASN H A 71 ALA H 1.0 1.8 3.99 1465 1086 A 71 ALA HA A 72 ARG H 1.0 1.8 3.62 1466 1087 A 71 ALA HA A 84 VAL HA 1.0 1.8 4.44 1467 1088 A 84 VAL HG1% A 71 ALA HA 1.0 1.8 5.42 1468 1089 A 84 VAL HG2% A 71 ALA HA 1.0 1.8 4.99 1469 1090 A 71 ALA HA A 88 SER HBx 1.0 1.8 6.05 1470 1090 A 71 ALA HA A 88 SER HBy 1.0 1.8 6.05 1471 1091 A 71 ALA HB% A 72 ARG H 1.0 1.8 3.88 1472 1092 A 71 ALA HB% A 82 LEU HA 1.0 1.8 5.01 1473 1093 A 71 ALA HB% A 82 LEU HBy 1.0 1.8 4.31 1474 1094 A 71 ALA HB% A 82 LEU HBx 1.0 1.8 4.31 1475 1095 A 71 ALA HB% A 82 LEU HD1% 1.0 1.8 4.02 1476 1096 A 71 ALA HB% A 82 LEU HD2% 1.0 1.8 3.88 1477 1097 A 71 ALA HB% A 83 SER H 1.0 1.8 4.71 1478 1098 A 71 ALA HB% A 84 VAL HA 1.0 1.8 5.39 1479 1099 A 71 ALA HB% A 84 VAL HG2% 1.0 1.8 3.98 1480 1100 A 71 ALA HB% A 88 SER HBx 1.0 1.8 6.05 1481 1100 A 71 ALA HB% A 88 SER HBy 1.0 1.8 6.05 1482 1101 A 71 ALA H A 71 ALA HB% 1.0 1.8 3.37 1483 1102 A 72 ARG HA A 72 ARG HDx 1.0 1.8 4.70 1484 1102 A 72 ARG HA A 72 ARG HDy 1.0 1.8 4.70 1485 1103 A 72 ARG HA A 72 ARG HGy 1.0 1.8 4.41 1486 1104 A 72 ARG HA A 72 ARG HGx 1.0 1.8 4.41 1487 1105 A 73 VAL H A 72 ARG HA 1.0 1.8 3.37 1488 1106 A 72 ARG HE A 72 ARG HBy 1.0 1.8 5.24 1489 1106 A 72 ARG HBx A 72 ARG HE 1.0 1.8 5.24 1490 1107 A 72 ARG HBy A 83 SER HBx 1.0 1.8 4.58 1491 1107 A 72 ARG HBx A 83 SER HBx 1.0 1.8 4.58 1492 1107 A 83 SER HBy A 72 ARG HBy 1.0 1.8 4.58 1493 1107 A 72 ARG HBx A 83 SER HBy 1.0 1.8 4.58 1494 1108 A 83 SER H A 72 ARG HBy 1.0 1.8 5.05 1495 1108 A 72 ARG HBx A 83 SER H 1.0 1.8 5.05 1496 1109 A 73 VAL H A 72 ARG HDx 1.0 1.8 5.71 1497 1109 A 73 VAL H A 72 ARG HDy 1.0 1.8 5.71 1498 1110 A 73 VAL H A 72 ARG HGy 1.0 1.8 4.43 1499 1111 A 73 VAL H A 72 ARG HGx 1.0 1.8 4.43 1500 1112 A 73 VAL HA A 72 ARG HGy 1.0 1.8 5.60 1501 1112 A 72 ARG HGx A 73 VAL HA 1.0 1.8 5.60 1502 1113 A 74 ALA HB% A 72 ARG HGy 1.0 1.8 5.30 1503 1113 A 72 ARG HGx A 74 ALA HB% 1.0 1.8 5.30 1504 1114 A 72 ARG HGx A 83 SER HBx 1.0 1.8 5.30 1505 1114 A 72 ARG HGy A 83 SER HBx 1.0 1.8 5.30 1506 1114 A 83 SER HBy A 72 ARG HGy 1.0 1.8 5.30 1507 1114 A 72 ARG HGx A 83 SER HBy 1.0 1.8 5.30 1508 1115 A 72 ARG H A 72 ARG HBy 1.0 1.8 4.28 1509 1116 A 72 ARG HBx A 72 ARG H 1.0 1.8 4.28 1510 1117 A 73 VAL H A 72 ARG H 1.0 1.8 5.07 1511 1118 A 72 ARG H A 83 SER H 1.0 1.8 4.53 1512 1119 A 73 VAL HG1% A 73 VAL HA 1.0 1.8 3.62 1513 1120 A 73 VAL HG2% A 73 VAL HA 1.0 1.8 3.76 1514 1121 A 73 VAL HA A 74 ALA HB% 1.0 1.8 4.97 1515 1122 A 73 VAL HA A 74 ALA H 1.0 1.8 3.21 1516 1123 A 81 SER H A 73 VAL HA 1.0 1.8 5.15 1517 1124 A 82 LEU HA A 73 VAL HA 1.0 1.8 4.44 1518 1125 A 82 LEU HD2% A 73 VAL HA 1.0 1.8 4.07 1519 1126 A 83 SER H A 73 VAL HA 1.0 1.8 5.02 1520 1127 A 73 VAL HB A 74 ALA HA 1.0 1.8 5.80 1521 1128 A 73 VAL HG1% A 74 ALA HA 1.0 1.8 4.86 1522 1129 A 73 VAL HG1% A 74 ALA H 1.0 1.8 3.64 1523 1130 A 73 VAL HG1% A 75 GLN H 1.0 1.8 5.82 1524 1131 A 73 VAL HG1% A 80 LEU HBy 1.0 1.8 5.36 1525 1132 A 73 VAL HG1% A 80 LEU HBx 1.0 1.8 5.36 1526 1133 A 73 VAL HG1% A 80 LEU HD1% 1.0 1.8 3.74 1527 1134 A 73 VAL HG1% A 80 LEU HG 1.0 1.8 5.42 1528 1135 A 73 VAL HG1% A 81 SER H 1.0 1.8 5.61 1529 1136 A 73 VAL HG1% A 82 LEU HA 1.0 1.8 5.62 1530 1137 A 73 VAL HG2% A 74 ALA H 1.0 1.8 4.64 1531 1138 A 73 VAL HG2% A 83 SER H 1.0 1.8 5.58 1532 1139 A 73 VAL HB A 73 VAL H 1.0 1.8 3.49 1533 1140 A 73 VAL HG1% A 73 VAL H 1.0 1.8 4.44 1534 1141 A 73 VAL HG2% A 73 VAL H 1.0 1.8 3.48 1535 1142 A 73 VAL H A 74 ALA H 1.0 1.8 5.14 1536 1143 A 74 ALA HA A 75 GLN HBx 1.0 1.8 5.87 1537 1143 A 74 ALA HA A 75 GLN HBy 1.0 1.8 5.87 1538 1144 A 74 ALA HA A 75 GLN H 1.0 1.8 3.09 1539 1145 A 74 ALA HA A 81 SER H 1.0 1.8 5.58 1540 1146 A 75 GLN H A 74 ALA HB% 1.0 1.8 3.30 1541 1147 A 74 ALA HB% A 76 PHE HBy 1.0 1.8 5.65 1542 1147 A 74 ALA HB% A 76 PHE HBx 1.0 1.8 5.65 1543 1148 A 74 ALA HB% A 76 PHE HD% 1.0 1.8 5.33 1544 1149 A 74 ALA HB% A 76 PHE HE% 1.0 1.8 4.87 1545 1150 A 74 ALA HB% A 76 PHE HZ 1.0 1.8 5.33 1546 1151 A 74 ALA HB% A 81 SER HBx 1.0 1.8 5.30 1547 1151 A 81 SER HBy A 74 ALA HB% 1.0 1.8 5.30 1548 1152 A 83 SER HBy A 74 ALA HB% 1.0 1.8 5.76 1549 1153 A 74 ALA HB% A 83 SER HBx 1.0 1.8 5.76 1550 1154 A 74 ALA HB% A 74 ALA H 1.0 1.8 3.66 1551 1155 A 75 GLN H A 74 ALA H 1.0 1.8 5.06 1552 1156 A 74 ALA H A 80 LEU HA 1.0 1.8 5.25 1553 1157 A 81 SER H A 74 ALA H 1.0 1.8 3.90 1554 1158 A 82 LEU HA A 74 ALA H 1.0 1.8 4.88 1555 1159 A 82 LEU HD2% A 74 ALA H 1.0 1.8 5.15 1556 1160 A 75 GLN HA A 75 GLN HGx 1.0 1.8 3.94 1557 1160 A 75 GLN HGy A 75 GLN HA 1.0 1.8 3.94 1558 1161 A 75 GLN HA A 76 PHE H 1.0 1.8 3.23 1559 1162 A 80 LEU HD2% A 75 GLN HA 1.0 1.8 4.07 1560 1163 A 81 SER H A 75 GLN HA 1.0 1.8 4.75 1561 1164 A 75 GLN HBy A 76 PHE H 1.0 1.8 5.01 1562 1165 A 76 PHE H A 75 GLN HBx 1.0 1.8 5.01 1563 1166 A 78 GLY H A 75 GLN HBx 1.0 1.8 5.46 1564 1166 A 75 GLN HBy A 78 GLY H 1.0 1.8 5.46 1565 1167 A 80 LEU HD2% A 75 GLN HBx 1.0 1.8 4.05 1566 1167 A 80 LEU HD2% A 75 GLN HBy 1.0 1.8 4.05 1567 1168 A 80 LEU HD1% A 75 GLN HE21 1.0 1.8 5.95 1568 1169 A 80 LEU HD2% A 75 GLN HE21 1.0 1.8 5.08 1569 1170 A 76 PHE H A 75 GLN HGx 1.0 1.8 4.15 1570 1170 A 75 GLN HGy A 76 PHE H 1.0 1.8 4.15 1571 1171 A 78 GLY H A 75 GLN HGx 1.0 1.8 5.00 1572 1171 A 75 GLN HGy A 78 GLY H 1.0 1.8 5.00 1573 1172 A 79 TYR H A 75 GLN HGx 1.0 1.8 4.57 1574 1172 A 75 GLN HGy A 79 TYR H 1.0 1.8 4.57 1575 1173 A 80 LEU HD1% A 75 GLN HGx 1.0 1.8 5.33 1576 1173 A 80 LEU HD1% A 75 GLN HGy 1.0 1.8 5.33 1577 1174 A 80 LEU HD2% A 75 GLN HGx 1.0 1.8 3.79 1578 1174 A 80 LEU HD2% A 75 GLN HGy 1.0 1.8 3.79 1579 1175 A 81 SER H A 75 GLN HGx 1.0 1.8 5.85 1580 1175 A 75 GLN HGy A 81 SER H 1.0 1.8 5.85 1581 1176 A 75 GLN H A 75 GLN HBx 1.0 1.8 3.72 1582 1176 A 75 GLN H A 75 GLN HBy 1.0 1.8 3.72 1583 1177 A 75 GLN H A 75 GLN HGx 1.0 1.8 4.61 1584 1177 A 75 GLN HGy A 75 GLN H 1.0 1.8 4.61 1585 1178 A 75 GLN H A 76 PHE H 1.0 1.8 5.13 1586 1179 A 76 PHE HD% A 76 PHE HA 1.0 1.8 4.42 1587 1180 A 76 PHE HA A 77 ASN H 1.0 1.8 3.22 1588 1181 A 78 GLY H A 76 PHE HA 1.0 1.8 5.03 1589 1182 A 79 TYR H A 76 PHE HA 1.0 1.8 5.35 1590 1183 A 77 ASN H A 76 PHE HBy 1.0 1.8 5.04 1591 1184 A 76 PHE HBx A 77 ASN H 1.0 1.8 5.04 1592 1185 A 79 TYR H A 76 PHE HBy 1.0 1.8 5.19 1593 1185 A 76 PHE HBx A 79 TYR H 1.0 1.8 5.19 1594 1186 A 76 PHE HD% A 81 SER HBx 1.0 1.8 5.37 1595 1186 A 81 SER HBy A 76 PHE HD% 1.0 1.8 5.37 1596 1187 A 76 PHE H A 78 GLY H 1.0 1.8 4.88 1597 1188 A 76 PHE H A 79 TYR H 1.0 1.8 3.82 1598 1189 A 80 LEU HD2% A 76 PHE H 1.0 1.8 4.91 1599 1190 A 78 GLY H A 77 ASN HA 1.0 1.8 3.69 1600 1191 A 79 TYR H A 77 ASN HA 1.0 1.8 5.28 1601 1192 A 78 GLY H A 77 ASN HBy 1.0 1.8 5.21 1602 1193 A 79 TYR HD% A 77 ASN HBy 1.0 1.8 5.07 1603 1194 A 79 TYR HE% A 77 ASN HBy 1.0 1.8 5.17 1604 1195 A 78 GLY H A 77 ASN HBx 1.0 1.8 5.21 1605 1196 A 79 TYR HD% A 77 ASN HBx 1.0 1.8 5.07 1606 1197 A 79 TYR HE% A 77 ASN HBx 1.0 1.8 5.17 1607 1198 A 79 TYR H A 77 ASN HBy 1.0 1.8 5.13 1608 1198 A 79 TYR H A 77 ASN HBx 1.0 1.8 5.13 1609 1199 A 78 GLY H A 77 ASN H 1.0 1.8 4.09 1610 1200 A 79 TYR H A 77 ASN H 1.0 1.8 5.38 1611 1201 A 78 GLY H A 79 TYR H 1.0 1.8 3.62 1612 1202 A 79 TYR HD% A 79 TYR HA 1.0 1.8 4.42 1613 1203 A 79 TYR HA A 80 LEU H 1.0 1.8 3.28 1614 1204 A 80 LEU H A 79 TYR HBy 1.0 1.8 4.59 1615 1205 A 80 LEU H A 79 TYR HBx 1.0 1.8 4.59 1616 1206 A 79 TYR HD% A 80 LEU H 1.0 1.8 4.84 1617 1207 A 79 TYR H A 79 TYR HBx 1.0 1.8 3.48 1618 1207 A 79 TYR H A 79 TYR HBy 1.0 1.8 3.48 1619 1208 A 79 TYR H A 79 TYR HD% 1.0 1.8 3.97 1620 1209 A 79 TYR H A 80 LEU H 1.0 1.8 5.50 1621 1210 A 80 LEU HD1% A 80 LEU HA 1.0 1.8 4.32 1622 1211 A 80 LEU HD2% A 80 LEU HA 1.0 1.8 3.56 1623 1212 A 81 SER H A 80 LEU HA 1.0 1.8 3.20 1624 1213 A 80 LEU HD1% A 80 LEU HBy 1.0 1.8 3.82 1625 1214 A 80 LEU HD2% A 80 LEU HBy 1.0 1.8 4.23 1626 1215 A 80 LEU HBy A 81 SER H 1.0 1.8 4.72 1627 1216 A 80 LEU HD1% A 80 LEU HBx 1.0 1.8 3.82 1628 1217 A 80 LEU HD2% A 80 LEU HBx 1.0 1.8 4.23 1629 1218 A 80 LEU HBx A 81 SER H 1.0 1.8 4.72 1630 1219 A 80 LEU HD2% A 81 SER H 1.0 1.8 3.97 1631 1220 A 80 LEU HBy A 80 LEU H 1.0 1.8 4.09 1632 1221 A 80 LEU HBx A 80 LEU H 1.0 1.8 4.09 1633 1222 A 80 LEU HD2% A 80 LEU H 1.0 1.8 4.62 1634 1223 A 80 LEU HG A 80 LEU H 1.0 1.8 4.42 1635 1224 A 81 SER HA A 82 LEU HG 1.0 1.8 4.58 1636 1225 A 81 SER HA A 82 LEU H 1.0 1.8 3.36 1637 1226 A 82 LEU H A 81 SER HBy 1.0 1.8 4.72 1638 1227 A 82 LEU H A 81 SER HBx 1.0 1.8 4.72 1639 1228 A 82 LEU HD1% A 82 LEU HA 1.0 1.8 5.21 1640 1229 A 82 LEU HD2% A 82 LEU HA 1.0 1.8 3.51 1641 1230 A 82 LEU HA A 83 SER H 1.0 1.8 3.48 1642 1231 A 82 LEU HD1% A 82 LEU HBy 1.0 1.8 3.90 1643 1232 A 82 LEU HBy A 83 SER H 1.0 1.8 4.57 1644 1233 A 82 LEU HD1% A 82 LEU HBx 1.0 1.8 3.90 1645 1234 A 83 SER H A 82 LEU HBx 1.0 1.8 4.57 1646 1235 A 82 LEU HD2% A 82 LEU HBx 1.0 1.8 3.85 1647 1235 A 82 LEU HD2% A 82 LEU HBy 1.0 1.8 3.85 1648 1236 A 82 LEU HD1% A 84 VAL HG2% 1.0 1.8 5.22 1649 1237 A 82 LEU HD2% A 83 SER H 1.0 1.8 4.23 1650 1238 A 82 LEU HD1% A 82 LEU H 1.0 1.8 5.19 1651 1239 A 82 LEU HD2% A 82 LEU H 1.0 1.8 4.83 1652 1240 A 82 LEU HG A 82 LEU H 1.0 1.8 3.56 1653 1241 A 83 SER HA A 84 VAL HG2% 1.0 1.8 4.86 1654 1242 A 83 SER HA A 84 VAL H 1.0 1.8 3.62 1655 1243 A 84 VAL H A 83 SER HBy 1.0 1.8 5.51 1656 1244 A 84 VAL H A 83 SER HBx 1.0 1.8 5.51 1657 1245 A 83 SER H A 83 SER HBy 1.0 1.8 4.28 1658 1246 A 83 SER H A 83 SER HBx 1.0 1.8 4.28 1659 1247 A 84 VAL HG1% A 84 VAL HA 1.0 1.8 3.82 1660 1248 A 84 VAL HG2% A 84 VAL HA 1.0 1.8 3.81 1661 1249 A 84 VAL HA A 85 GLY H 1.0 1.8 3.84 1662 1250 A 84 VAL HA A 88 SER HBx 1.0 1.8 5.18 1663 1250 A 84 VAL HA A 88 SER HBy 1.0 1.8 5.18 1664 1251 A 84 VAL HA A 88 SER H 1.0 1.8 5.74 1665 1252 A 84 VAL HG1% A 85 GLY H 1.0 1.8 4.75 1666 1253 A 84 VAL HG1% A 88 SER HBx 1.0 1.8 3.54 1667 1253 A 84 VAL HG1% A 88 SER HBy 1.0 1.8 3.54 1668 1254 A 84 VAL HG1% A 89 ARG H 1.0 1.8 5.43 1669 1255 A 84 VAL HG1% A 90 ILE HD1% 1.0 1.8 3.56 1670 1256 A 84 VAL HG1% A 90 ILE HG1x 1.0 1.8 4.52 1671 1256 A 84 VAL HG1% A 90 ILE HG1y 1.0 1.8 4.52 1672 1257 A 84 VAL HG2% A 88 SER HBx 1.0 1.8 4.68 1673 1257 A 84 VAL HG2% A 88 SER HBy 1.0 1.8 4.68 1674 1258 A 84 VAL HG2% A 90 ILE HG1x 1.0 1.8 5.24 1675 1258 A 84 VAL HG2% A 90 ILE HG1y 1.0 1.8 5.24 1676 1259 A 84 VAL H A 84 VAL HG1% 1.0 1.8 5.07 1677 1260 A 84 VAL H A 84 VAL HG2% 1.0 1.8 4.09 1678 1261 A 86 ASP H A 85 GLY HAy 1.0 1.8 3.78 1679 1262 A 86 ASP H A 85 GLY HAx 1.0 1.8 3.78 1680 1263 A 86 ASP H A 85 GLY H 1.0 1.8 6.05 1681 1264 A 85 GLY H A 88 SER HBx 1.0 1.8 5.05 1682 1264 A 88 SER HBy A 85 GLY H 1.0 1.8 5.05 1683 1265 A 86 ASP HA A 88 SER H 1.0 1.8 4.81 1684 1266 A 87 SER H A 86 ASP HBx 1.0 1.8 4.02 1685 1266 A 86 ASP HBy A 87 SER H 1.0 1.8 4.02 1686 1267 A 86 ASP H A 86 ASP HBx 1.0 1.8 3.64 1687 1267 A 86 ASP H A 86 ASP HBy 1.0 1.8 3.64 1688 1268 A 86 ASP H A 87 SER H 1.0 1.8 4.06 1689 1269 A 86 ASP H A 88 SER H 1.0 1.8 5.00 1690 1270 A 87 SER H A 87 SER HBx 1.0 1.8 3.83 1691 1270 A 87 SER H A 87 SER HBy 1.0 1.8 3.83 1692 1271 A 88 SER H A 87 SER H 1.0 1.8 3.49 1693 1272 A 89 ARG H A 88 SER HA 1.0 1.8 3.62 1694 1273 A 89 ARG H A 88 SER HBx 1.0 1.8 3.98 1695 1273 A 88 SER HBy A 89 ARG H 1.0 1.8 3.98 1696 1274 A 88 SER H A 88 SER HBx 1.0 1.8 3.51 1697 1274 A 88 SER HBy A 88 SER H 1.0 1.8 3.51 1698 1275 A 89 ARG HA A 89 ARG HDx 1.0 1.8 5.02 1699 1275 A 89 ARG HA A 89 ARG HDy 1.0 1.8 5.02 1700 1276 A 89 ARG HA A 90 ILE H 1.0 1.8 3.41 1701 1277 A 89 ARG HDy A 89 ARG HBy 1.0 1.8 4.58 1702 1277 A 89 ARG HBy A 89 ARG HDx 1.0 1.8 4.58 1703 1278 A 90 ILE H A 89 ARG HBy 1.0 1.8 5.22 1704 1279 A 89 ARG HBx A 89 ARG HDy 1.0 1.8 4.58 1705 1279 A 89 ARG HBx A 89 ARG HDx 1.0 1.8 4.58 1706 1280 A 89 ARG HBx A 90 ILE H 1.0 1.8 5.22 1707 1281 A 89 ARG HE A 89 ARG HBy 1.0 1.8 5.16 1708 1281 A 89 ARG HBx A 89 ARG HE 1.0 1.8 5.16 1709 1282 A 89 ARG H A 89 ARG HBy 1.0 1.8 4.28 1710 1283 A 89 ARG H A 89 ARG HBx 1.0 1.8 4.28 1711 1284 A 89 ARG H A 89 ARG HGx 1.0 1.8 4.94 1712 1284 A 89 ARG H A 89 ARG HGy 1.0 1.8 4.94 1713 1285 A 90 ILE HD1% A 90 ILE HA 1.0 1.8 4.83 1714 1286 A 90 ILE HG2% A 90 ILE HA 1.0 1.8 3.70 1715 1287 A 90 ILE HD1% A 90 ILE HB 1.0 1.8 3.78 1716 1288 A 91 GLU H A 90 ILE HB 1.0 1.8 5.97 1717 1289 A 91 GLU H A 90 ILE HG1x 1.0 1.8 5.56 1718 1289 A 91 GLU H A 90 ILE HG1y 1.0 1.8 5.56 1719 1290 A 90 ILE HG2% A 91 GLU HA 1.0 1.8 4.32 1720 1291 A 90 ILE HG2% A 91 GLU H 1.0 1.8 4.13 1721 1292 A 90 ILE HG2% A 92 SER H 1.0 1.8 6.05 1722 1293 A 90 ILE H A 90 ILE HB 1.0 1.8 3.90 1723 1294 A 90 ILE HD1% A 90 ILE H 1.0 1.8 4.98 1724 1295 A 90 ILE H A 90 ILE HG1x 1.0 1.8 4.21 1725 1295 A 90 ILE HG1y A 90 ILE H 1.0 1.8 4.21 1726 1296 A 90 ILE HG2% A 90 ILE H 1.0 1.8 4.66 1727 1297 A 91 GLU HA A 92 SER H 1.0 1.8 3.45 1728 1298 A 92 SER H A 91 GLU HBy 1.0 1.8 4.87 1729 1299 A 92 SER H A 91 GLU HBx 1.0 1.8 4.87 1730 1300 A 92 SER H A 91 GLU HGy 1.0 1.8 5.59 1731 1301 A 92 SER H A 91 GLU HGx 1.0 1.8 5.59 1732 1302 A 91 GLU H A 91 GLU HGx 1.0 1.8 4.80 1733 1302 A 91 GLU H A 91 GLU HGy 1.0 1.8 4.80 1734 1303 A 92 SER HA A 93 VAL HG2% 1.0 1.8 4.71 1735 1304 A 92 SER HA A 93 VAL H 1.0 1.8 3.36 1736 1305 A 93 VAL H A 92 SER HBy 1.0 1.8 4.89 1737 1306 A 93 VAL H A 92 SER HBx 1.0 1.8 4.89 1738 1307 A 92 SER H A 92 SER HBx 1.0 1.8 3.74 1739 1307 A 92 SER HBy A 92 SER H 1.0 1.8 3.74 1740 1308 A 93 VAL H A 92 SER H 1.0 1.8 6.02 1741 1309 A 93 VAL HA A 93 VAL HG1% 1.0 1.8 3.62 1742 1310 A 93 VAL HG2% A 93 VAL HA 1.0 1.8 3.88 1743 1311 A 93 VAL H A 93 VAL HB 1.0 1.8 4.29 1744 1312 A 93 VAL H A 93 VAL HG1% 1.0 1.8 4.79 1745 1313 A 93 VAL HG2% A 93 VAL H 1.0 1.8 3.63 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 4 VAL H A 17 SER O 1.0 1.7 2.3 2 2 A 17 SER O A 4 VAL N 1.0 2.7 3.3 3 3 A 8 ASP H A 5 LYS O 1.0 1.7 2.3 4 4 A 5 LYS O A 8 ASP N 1.0 2.7 3.3 5 5 A 9 VAL H A 6 ILE O 1.0 1.7 2.3 6 6 A 6 ILE O A 9 VAL N 1.0 2.7 3.3 7 7 A 13 THR H A 10 SER O 1.0 1.7 2.3 8 8 A 10 SER O A 13 THR N 1.0 2.7 3.3 9 9 A 16 VAL H A 71 ALA O 1.0 1.7 2.3 10 10 A 71 ALA O A 16 VAL N 1.0 2.7 3.3 11 11 A 18 VAL H A 68 ILE O 1.0 1.7 2.3 12 12 A 68 ILE O A 18 VAL N 1.0 2.7 3.3 13 13 A 22 ILE H A 64 ASP O 1.0 1.7 2.3 14 14 A 64 ASP O A 22 ILE N 1.0 2.7 3.3 15 15 A 23 THR H A 43 TYR O 1.0 1.7 2.3 16 16 A 43 TYR O A 23 THR N 1.0 2.7 3.3 17 17 A 26 HIS H A 41 GLN O 1.0 1.7 2.3 18 18 A 41 GLN O A 26 HIS N 1.0 2.7 3.3 19 19 A 28 LYS H A 39 VAL O 1.0 1.7 2.3 20 20 A 39 VAL O A 28 LYS N 1.0 2.7 3.3 21 21 A 30 TYR H A 37 LYS O 1.0 1.7 2.3 22 22 A 37 LYS O A 30 TYR N 1.0 2.7 3.3 23 23 A 32 SER H A 35 THR O 1.0 1.7 2.3 24 24 A 35 THR O A 32 SER N 1.0 2.7 3.3 25 25 A 35 THR H A 32 SER O 1.0 1.7 2.3 26 26 A 32 SER O A 35 THR N 1.0 2.7 3.3 27 27 A 37 LYS H A 30 TYR O 1.0 1.7 2.3 28 28 A 30 TYR O A 37 LYS N 1.0 2.7 3.3 29 29 A 39 VAL H A 28 LYS O 1.0 1.7 2.3 30 30 A 28 LYS O A 39 VAL N 1.0 2.7 3.3 31 31 A 40 TYR H A 55 SER O 1.0 1.7 2.3 32 32 A 55 SER O A 40 TYR N 1.0 2.7 3.3 33 33 A 41 GLN H A 26 HIS O 1.0 1.7 2.3 34 34 A 26 HIS O A 41 GLN N 1.0 2.7 3.3 35 35 A 42 GLY H A 53 ILE O 1.0 1.7 2.3 36 36 A 53 ILE O A 42 GLY N 1.0 2.7 3.3 37 37 A 43 TYR H A 23 THR O 1.0 1.7 2.3 38 38 A 23 THR O A 43 TYR N 1.0 2.7 3.3 39 39 A 44 ILE H A 51 ILE O 1.0 1.7 2.3 40 40 A 51 ILE O A 44 ILE N 1.0 2.7 3.3 41 41 A 45 GLU H A 21 LYS O 1.0 1.7 2.3 42 42 A 21 LYS O A 45 GLU N 1.0 2.7 3.3 43 43 A 46 ASP H A 49 ALA O 1.0 1.7 2.3 44 44 A 49 ALA O A 46 ASP N 1.0 2.7 3.3 45 45 A 51 ILE H A 44 ILE O 1.0 1.7 2.3 46 46 A 44 ILE O A 51 ILE N 1.0 2.7 3.3 47 47 A 53 ILE H A 42 GLY O 1.0 1.7 2.3 48 48 A 42 GLY O A 53 ILE N 1.0 2.7 3.3 49 49 A 54 SER H A 82 LEU O 1.0 1.7 2.3 50 50 A 82 LEU O A 54 SER N 1.0 2.7 3.3 51 51 A 55 SER H A 40 TYR O 1.0 1.7 2.3 52 52 A 40 TYR O A 55 SER N 1.0 2.7 3.3 53 53 A 56 PHE H A 84 VAL O 1.0 1.7 2.3 54 54 A 84 VAL O A 56 PHE N 1.0 2.7 3.3 55 55 A 57 GLY H A 38 SER O 1.0 1.7 2.3 56 56 A 38 SER O A 57 GLY N 1.0 2.7 3.3 57 57 A 66 VAL H A 20 GLY O 1.0 1.7 2.3 58 58 A 20 GLY O A 66 VAL N 1.0 2.7 3.3 59 59 A 67 ARG H A 91 GLU O 1.0 1.7 2.3 60 60 A 91 GLU O A 67 ARG N 1.0 2.7 3.3 61 61 A 68 ILE H A 18 VAL O 1.0 1.7 2.3 62 62 A 18 VAL O A 68 ILE N 1.0 2.7 3.3 63 63 A 69 ASP H A 89 ARG O 1.0 1.7 2.3 64 64 A 89 ARG O A 69 ASP N 1.0 2.7 3.3 65 65 A 71 ALA H A 16 VAL O 1.0 1.7 2.3 66 66 A 16 VAL O A 71 ALA N 1.0 2.7 3.3 67 67 A 72 ARG H A 83 SER O 1.0 1.7 2.3 68 68 A 83 SER O A 72 ARG N 1.0 2.7 3.3 69 69 A 73 VAL H A 14 PRO O 1.0 1.7 2.3 70 70 A 14 PRO O A 73 VAL N 1.0 2.7 3.3 71 71 A 74 ALA H A 81 SER O 1.0 1.7 2.3 72 72 A 81 SER O A 74 ALA N 1.0 2.7 3.3 73 73 A 76 PHE H A 79 TYR O 1.0 1.7 2.3 74 74 A 79 TYR O A 76 PHE N 1.0 2.7 3.3 75 75 A 79 TYR H A 76 PHE O 1.0 1.7 2.3 76 76 A 76 PHE O A 79 TYR N 1.0 2.7 3.3 77 77 A 81 SER H A 74 ALA O 1.0 1.7 2.3 78 78 A 74 ALA O A 81 SER N 1.0 2.7 3.3 79 79 A 82 LEU H A 52 ARG O 1.0 1.7 2.3 80 80 A 52 ARG O A 82 LEU N 1.0 2.7 3.3 81 81 A 83 SER H A 72 ARG O 1.0 1.7 2.3 82 82 A 72 ARG O A 83 SER N 1.0 2.7 3.3 83 83 A 84 VAL H A 54 SER O 1.0 1.7 2.3 84 84 A 54 SER O A 84 VAL N 1.0 2.7 3.3 85 85 A 89 ARG H A 69 ASP O 1.0 1.7 2.3 86 86 A 69 ASP O A 89 ARG N 1.0 2.7 3.3 87 87 A 91 GLU H A 67 ARG O 1.0 1.7 2.3 88 88 A 67 ARG O A 91 GLU N 1.0 2.7 3.3 89 89 A 93 VAL H A 65 VAL O 1.0 1.7 2.3 90 90 A 65 VAL O A 93 VAL N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 ASP C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -152.34 -52.34 PHI 2 2 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 VAL N 1.0 55.77 175.77 PSI 3 3 A 3 LEU C A 4 VAL N A 4 VAL CA A 4 VAL C 1.0 -160.48 -80.48 PHI 4 4 A 4 VAL N A 4 VAL CA A 4 VAL C A 5 LYS N 1.0 98.56 198.56 PSI 5 5 A 5 LYS C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -99.07 -19.07 PHI 6 6 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 ARG N 1.0 -87.68 12.32 PSI 7 7 A 6 ILE C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -106.93 -26.93 PHI 8 8 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 ASP N 1.0 -78.65 21.35 PSI 9 9 A 7 ARG C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -138.33 -58.33 PHI 10 10 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 VAL N 1.0 -51.10 48.90 PSI 11 11 A 8 ASP C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -119.94 -39.94 PHI 12 12 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 SER N 1.0 81.03 181.03 PSI 13 13 A 9 VAL C A 10 SER N A 10 SER CA A 10 SER C 1.0 -165.74 -65.74 PHI 14 14 A 10 SER N A 10 SER CA A 10 SER C A 11 LEU N 1.0 90.35 210.35 PSI 15 15 A 10 SER C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -99.96 -19.96 PHI 16 16 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 SER N 1.0 -79.61 20.39 PSI 17 17 A 11 LEU C A 12 SER N A 12 SER CA A 12 SER C 1.0 -117.32 -37.32 PHI 18 18 A 12 SER N A 12 SER CA A 12 SER C A 13 THR N 1.0 -77.94 22.06 PSI 19 19 A 12 SER C A 13 THR N A 13 THR CA A 13 THR C 1.0 -157.59 -57.59 PHI 20 20 A 13 THR N A 13 THR CA A 13 THR C A 14 PRO N 1.0 78.91 198.91 PSI 21 21 A 14 PRO C A 15 TYR N A 15 TYR CA A 15 TYR C 1.0 -168.07 -88.07 PHI 22 22 A 15 TYR N A 15 TYR CA A 15 TYR C A 16 VAL N 1.0 106.41 206.41 PSI 23 23 A 15 TYR C A 16 VAL N A 16 VAL CA A 16 VAL C 1.0 -172.18 -92.18 PHI 24 24 A 16 VAL N A 16 VAL CA A 16 VAL C A 17 SER N 1.0 105.47 205.47 PSI 25 25 A 16 VAL C A 17 SER N A 17 SER CA A 17 SER C 1.0 -154.64 -74.64 PHI 26 26 A 17 SER N A 17 SER CA A 17 SER C A 18 VAL N 1.0 90.91 190.91 PSI 27 27 A 17 SER C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -174.37 -94.37 PHI 28 28 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 ILE N 1.0 108.51 208.51 PSI 29 29 A 18 VAL C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -161.79 -81.79 PHI 30 30 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 GLY N 1.0 95.94 195.94 PSI 31 31 A 20 GLY C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -167.87 -87.87 PHI 32 32 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 ILE N 1.0 97.06 197.06 PSI 33 33 A 21 LYS C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -149.86 -69.86 PHI 34 34 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 THR N 1.0 77.01 177.01 PSI 35 35 A 22 ILE C A 23 THR N A 23 THR CA A 23 THR C 1.0 -157.27 -77.27 PHI 36 36 A 23 THR N A 23 THR CA A 23 THR C A 24 GLY N 1.0 110.01 210.01 PSI 37 37 A 25 ILE C A 26 HIS N A 26 HIS CA A 26 HIS C 1.0 -150.19 -70.19 PHI 38 38 A 26 HIS N A 26 HIS CA A 26 HIS C A 27 LYS N 1.0 79.68 179.68 PSI 39 39 A 26 HIS C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -140.42 -60.42 PHI 40 40 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 LYS N 1.0 78.78 178.78 PSI 41 41 A 27 LYS C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -172.08 -92.08 PHI 42 42 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 GLU N 1.0 94.08 194.08 PSI 43 43 A 28 LYS C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -151.81 -71.81 PHI 44 44 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 TYR N 1.0 84.46 184.46 PSI 45 45 A 29 GLU C A 30 TYR N A 30 TYR CA A 30 TYR C 1.0 -176.56 -96.56 PHI 46 46 A 30 TYR N A 30 TYR CA A 30 TYR C A 31 GLU N 1.0 99.12 199.12 PSI 47 47 A 30 TYR C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -149.41 -69.41 PHI 48 48 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 SER N 1.0 86.98 186.98 PSI 49 49 A 33 ASP C A 34 GLY N A 34 GLY CA A 34 GLY C 1.0 42.25 122.25 PHI 50 50 A 34 GLY N A 34 GLY CA A 34 GLY C A 35 THR N 1.0 -50.03 49.97 PSI 51 51 A 34 GLY C A 35 THR N A 35 THR CA A 35 THR C 1.0 -147.34 -67.34 PHI 52 52 A 35 THR N A 35 THR CA A 35 THR C A 36 THR N 1.0 91.72 191.72 PSI 53 53 A 35 THR C A 36 THR N A 36 THR CA A 36 THR C 1.0 -132.90 -52.90 PHI 54 54 A 36 THR N A 36 THR CA A 36 THR C A 37 LYS N 1.0 78.77 178.77 PSI 55 55 A 36 THR C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -165.26 -85.26 PHI 56 56 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 SER N 1.0 99.81 199.81 PSI 57 57 A 37 LYS C A 38 SER N A 38 SER CA A 38 SER C 1.0 -149.22 -69.22 PHI 58 58 A 38 SER N A 38 SER CA A 38 SER C A 39 VAL N 1.0 81.40 181.40 PSI 59 59 A 38 SER C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -173.04 -93.04 PHI 60 60 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 TYR N 1.0 94.00 194.00 PSI 61 61 A 39 VAL C A 40 TYR N A 40 TYR CA A 40 TYR C 1.0 -147.69 -67.69 PHI 62 62 A 40 TYR N A 40 TYR CA A 40 TYR C A 41 GLN N 1.0 85.71 185.71 PSI 63 63 A 40 TYR C A 41 GLN N A 41 GLN CA A 41 GLN C 1.0 -162.45 -82.45 PHI 64 64 A 41 GLN N A 41 GLN CA A 41 GLN C A 42 GLY N 1.0 88.71 188.71 PSI 65 65 A 42 GLY C A 43 TYR N A 43 TYR CA A 43 TYR C 1.0 -157.43 -77.43 PHI 66 66 A 43 TYR N A 43 TYR CA A 43 TYR C A 44 ILE N 1.0 94.42 194.42 PSI 67 67 A 43 TYR C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -173.96 -93.96 PHI 68 68 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 GLU N 1.0 93.54 193.54 PSI 69 69 A 44 ILE C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -175.26 -95.26 PHI 70 70 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 ASP N 1.0 82.71 182.71 PSI 71 71 A 45 GLU C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -168.87 -68.87 PHI 72 72 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 ASP N 1.0 96.38 216.38 PSI 73 73 A 49 ALA C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -167.54 -87.54 PHI 74 74 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 ILE N 1.0 95.53 195.53 PSI 75 75 A 50 ARG C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -183.32 -103.32 PHI 76 76 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 ARG N 1.0 89.02 189.02 PSI 77 77 A 52 ARG C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -181.01 -101.01 PHI 78 78 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 SER N 1.0 98.69 198.69 PSI 79 79 A 53 ILE C A 54 SER N A 54 SER CA A 54 SER C 1.0 -166.89 -86.89 PHI 80 80 A 54 SER N A 54 SER CA A 54 SER C A 55 SER N 1.0 81.80 181.80 PSI 81 81 A 54 SER C A 55 SER N A 55 SER CA A 55 SER C 1.0 -154.16 -74.16 PHI 82 82 A 55 SER N A 55 SER CA A 55 SER C A 56 PHE N 1.0 81.25 181.25 PSI 83 83 A 55 SER C A 56 PHE N A 56 PHE CA A 56 PHE C 1.0 -118.10 -38.10 PHI 84 84 A 56 PHE N A 56 PHE CA A 56 PHE C A 57 GLY N 1.0 88.11 188.11 PSI 85 85 A 57 GLY C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -135.42 -55.42 PHI 86 86 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 GLN N 1.0 92.42 192.42 PSI 87 87 A 59 GLN C A 60 LEU N A 60 LEU CA A 60 LEU C 1.0 -169.90 -89.90 PHI 88 88 A 60 LEU N A 60 LEU CA A 60 LEU C A 61 GLN N 1.0 102.09 202.09 PSI 89 89 A 60 LEU C A 61 GLN N A 61 GLN CA A 61 GLN C 1.0 -149.47 -69.47 PHI 90 90 A 61 GLN N A 61 GLN CA A 61 GLN C A 62 ASP N 1.0 87.23 187.23 PSI 91 91 A 64 ASP C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -138.78 -58.78 PHI 92 92 A 65 VAL N A 65 VAL CA A 65 VAL C A 66 VAL N 1.0 83.50 183.50 PSI 93 93 A 65 VAL C A 66 VAL N A 66 VAL CA A 66 VAL C 1.0 -174.19 -94.19 PHI 94 94 A 66 VAL N A 66 VAL CA A 66 VAL C A 67 ARG N 1.0 117.02 217.02 PSI 95 95 A 66 VAL C A 67 ARG N A 67 ARG CA A 67 ARG C 1.0 -165.06 -85.06 PHI 96 96 A 67 ARG N A 67 ARG CA A 67 ARG C A 68 ILE N 1.0 82.15 182.15 PSI 97 97 A 67 ARG C A 68 ILE N A 68 ILE CA A 68 ILE C 1.0 -158.58 -78.58 PHI 98 98 A 68 ILE N A 68 ILE CA A 68 ILE C A 69 ASP N 1.0 79.51 179.51 PSI 99 99 A 68 ILE C A 69 ASP N A 69 ASP CA A 69 ASP C 1.0 -148.98 -68.98 PHI 100 100 A 69 ASP N A 69 ASP CA A 69 ASP C A 70 ASN N 1.0 96.49 196.49 PSI 101 101 A 71 ALA C A 72 ARG N A 72 ARG CA A 72 ARG C 1.0 -150.91 -70.91 PHI 102 102 A 72 ARG N A 72 ARG CA A 72 ARG C A 73 VAL N 1.0 74.15 174.15 PSI 103 103 A 72 ARG C A 73 VAL N A 73 VAL CA A 73 VAL C 1.0 -137.55 -57.55 PHI 104 104 A 73 VAL N A 73 VAL CA A 73 VAL C A 74 ALA N 1.0 81.00 181.00 PSI 105 105 A 73 VAL C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -170.03 -90.03 PHI 106 106 A 74 ALA N A 74 ALA CA A 74 ALA C A 75 GLN N 1.0 97.55 197.55 PSI 107 107 A 74 ALA C A 75 GLN N A 75 GLN CA A 75 GLN C 1.0 -157.32 -77.32 PHI 108 108 A 75 GLN N A 75 GLN CA A 75 GLN C A 76 PHE N 1.0 86.46 186.46 PSI 109 109 A 75 GLN C A 76 PHE N A 76 PHE CA A 76 PHE C 1.0 -158.68 -78.68 PHI 110 110 A 76 PHE N A 76 PHE CA A 76 PHE C A 77 ASN N 1.0 79.36 179.36 PSI 111 111 A 78 GLY C A 79 TYR N A 79 TYR CA A 79 TYR C 1.0 -149.96 -69.96 PHI 112 112 A 79 TYR N A 79 TYR CA A 79 TYR C A 80 LEU N 1.0 90.55 190.55 PSI 113 113 A 80 LEU C A 81 SER N A 81 SER CA A 81 SER C 1.0 -174.61 -94.61 PHI 114 114 A 81 SER N A 81 SER CA A 81 SER C A 82 LEU N 1.0 104.88 204.88 PSI 115 115 A 81 SER C A 82 LEU N A 82 LEU CA A 82 LEU C 1.0 -164.86 -84.86 PHI 116 116 A 82 LEU N A 82 LEU CA A 82 LEU C A 83 SER N 1.0 88.09 188.09 PSI 117 117 A 82 LEU C A 83 SER N A 83 SER CA A 83 SER C 1.0 -149.80 -69.80 PHI 118 118 A 83 SER N A 83 SER CA A 83 SER C A 84 VAL N 1.0 76.97 176.97 PSI 119 119 A 83 SER C A 84 VAL N A 84 VAL CA A 84 VAL C 1.0 -156.97 -76.97 PHI 120 120 A 84 VAL N A 84 VAL CA A 84 VAL C A 85 GLY N 1.0 82.66 182.66 PSI 121 121 A 85 GLY C A 86 ASP N A 86 ASP CA A 86 ASP C 1.0 -99.65 -19.65 PHI 122 122 A 86 ASP N A 86 ASP CA A 86 ASP C A 87 SER N 1.0 -76.80 23.20 PSI 123 123 A 86 ASP C A 87 SER N A 87 SER CA A 87 SER C 1.0 -135.32 -35.32 PHI 124 124 A 87 SER N A 87 SER CA A 87 SER C A 88 SER N 1.0 -68.13 51.87 PSI 125 125 A 88 SER C A 89 ARG N A 89 ARG CA A 89 ARG C 1.0 -162.59 -82.59 PHI 126 126 A 89 ARG N A 89 ARG CA A 89 ARG C A 90 ILE N 1.0 90.45 190.45 PSI 127 127 A 89 ARG C A 90 ILE N A 90 ILE CA A 90 ILE C 1.0 -150.83 -70.83 PHI 128 128 A 90 ILE N A 90 ILE CA A 90 ILE C A 91 GLU N 1.0 76.83 176.83 PSI 129 129 A 90 ILE C A 91 GLU N A 91 GLU CA A 91 GLU C 1.0 -167.58 -87.58 PHI 130 130 A 91 GLU N A 91 GLU CA A 91 GLU C A 92 SER N 1.0 91.25 191.25 PSI stop_ save_ save_n15_noesy _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode n15_noesy _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 2590.7 2 1H 10000.0 3 1H 12755.1 stop_ save_ save_c13_noesy_aliph _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode c13_noesy_aliph _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 16666.7 2 1H 10416.7 3 1H 12755.1 stop_ save_ save_d2o_c13_noesy_aliph _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode d2o_c13_noesy_aliph _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 10257.7 2 1H 6838.8 3 1H 10787.5 stop_ save_ save_c13_noesy_arom _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode c13_noesy_arom _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 10257.7 2 1H 6838.8 3 1H 10787.5 stop_ save_ save_d2o_4d_cc_noesy _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode d2o_4d_cc_noesy _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 3121.342 2 13C 8000 3 1H 3121.342 4 1H 4197.3 stop_ save_