data_nef_c16688_2kt8 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 ALA start . . 2 A 2 GLU middle . . 3 A 3 LYS middle . . 4 A 4 THR middle . . 5 A 5 GLY middle . false 6 A 6 ILE middle . . 7 A 7 VAL middle . . 8 A 8 ASN middle . . 9 A 9 VAL middle . . 10 A 10 SER middle . . 11 A 11 SER middle . . 12 A 12 SER middle . . 13 A 13 LEU middle . . 14 A 14 ASN middle . . 15 A 15 VAL middle . . 16 A 16 ARG middle . . 17 A 17 GLU middle . . 18 A 18 GLY middle . false 19 A 19 ALA middle . . 20 A 20 SER middle . . 21 A 21 THR middle . . 22 A 22 SER middle . . 23 A 23 SER middle . . 24 A 24 LYS middle . . 25 A 25 VAL middle . . 26 A 26 ILE middle . . 27 A 27 GLY middle . false 28 A 28 SER middle . . 29 A 29 LEU middle . . 30 A 30 SER middle . . 31 A 31 GLY middle . false 32 A 32 ASN middle . . 33 A 33 THR middle . . 34 A 34 LYS middle . . 35 A 35 VAL middle . . 36 A 36 THR middle . . 37 A 37 ILE middle . . 38 A 38 VAL middle . . 39 A 39 GLY middle . false 40 A 40 GLU middle . . 41 A 41 GLU middle . . 42 A 42 GLY middle . false 43 A 43 ALA middle . . 44 A 44 PHE middle . . 45 A 45 TYR middle . . 46 A 46 LYS middle . . 47 A 47 ILE middle . . 48 A 48 GLU middle . . 49 A 49 TYR middle . . 50 A 50 LYS middle . . 51 A 51 GLY middle . false 52 A 52 SER middle . . 53 A 53 HIS middle . . 54 A 54 GLY middle . false 55 A 55 TYR middle . . 56 A 56 VAL middle . . 57 A 57 ALA middle . . 58 A 58 LYS middle . . 59 A 59 GLU middle . . 60 A 60 TYR middle . . 61 A 61 ILE middle . . 62 A 62 LYS middle . . 63 A 63 ASP middle . . 64 A 64 ILE middle . . 65 A 65 LYS middle . . 66 A 66 ASP middle . . 67 A 67 GLU middle . . 68 A 68 VAL middle . . 69 A 69 LEU middle . . 70 A 70 GLU middle . . 71 A 71 HIS middle . . 72 A 72 HIS middle . . 73 A 73 HIS middle . . 74 A 74 HIS middle . . 75 A 75 HIS middle . . 76 A 76 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 ALA HA H 1 4.13 0.02 A 1 ALA HB% H 1 1.52 0.02 A 1 ALA C C 13 173.4 0.2 A 1 ALA CA C 13 52 0.2 A 1 ALA CB C 13 19.4 0.2 A 2 GLU H H 1 8.73 0.02 A 2 GLU HA H 1 4.62 0.02 A 2 GLU HBy H 1 2.04 0.02 A 2 GLU HBx H 1 1.97 0.02 A 2 GLU HGx H 1 2.3 0.02 A 2 GLU HGy H 1 2.3 0.02 A 2 GLU C C 13 174.8 0.2 A 2 GLU CA C 13 56.3 0.2 A 2 GLU CB C 13 30.7 0.2 A 2 GLU CG C 13 35.5 0.2 A 2 GLU N N 15 120.2 0.2 A 3 LYS H H 1 8.53 0.02 A 3 LYS HA H 1 5.12 0.02 A 3 LYS HBy H 1 1.86 0.02 A 3 LYS HBx H 1 1.5 0.02 A 3 LYS HDx H 1 1.41 0.02 A 3 LYS HDy H 1 1.41 0.02 A 3 LYS HEx H 1 2.86 0.02 A 3 LYS HEy H 1 2.86 0.02 A 3 LYS HGx H 1 1.33 0.02 A 3 LYS HGy H 1 1.33 0.02 A 3 LYS C C 13 175.2 0.2 A 3 LYS CA C 13 55.1 0.2 A 3 LYS CB C 13 36.2 0.2 A 3 LYS CD C 13 29.6 0.2 A 3 LYS CE C 13 42.1 0.2 A 3 LYS CG C 13 25.2 0.2 A 3 LYS N N 15 122.6 0.2 A 4 THR H H 1 8.93 0.02 A 4 THR HA H 1 5.51 0.02 A 4 THR HB H 1 4.19 0.02 A 4 THR HG2% H 1 1.18 0.02 A 4 THR C C 13 173.7 0.2 A 4 THR CA C 13 59.7 0.2 A 4 THR CB C 13 72.2 0.2 A 4 THR CG2 C 13 21.6 0.2 A 4 THR N N 15 113.9 0.2 A 5 GLY H H 1 8.39 0.02 A 5 GLY HAy H 1 4.59 0.02 A 5 GLY HAx H 1 3.28 0.02 A 5 GLY C C 13 171.3 0.2 A 5 GLY CA C 13 44.6 0.2 A 5 GLY N N 15 105.8 0.2 A 6 ILE H H 1 9 0.02 A 6 ILE HA H 1 4.9 0.02 A 6 ILE HB H 1 1.71 0.02 A 6 ILE HD1% H 1 0.94 0.02 A 6 ILE HG1x H 1 1.70 0.02 A 6 ILE HG1y H 1 1.70 0.02 A 6 ILE HG2% H 1 0.85 0.02 A 6 ILE C C 13 175.8 0.2 A 6 ILE CA C 13 60.9 0.2 A 6 ILE CB C 13 35.3 0.2 A 6 ILE CD1 C 13 21.8 0.2 A 6 ILE CG1 C 13 25.5 0.2 A 6 ILE CG2 C 13 21.4 0.2 A 6 ILE N N 15 119.3 0.2 A 7 VAL H H 1 8.8 0.02 A 7 VAL HA H 1 4.01 0.02 A 7 VAL HB H 1 2.26 0.02 A 7 VAL HGx% H 1 0.96 0.02 A 7 VAL HGy% H 1 0.99 0.02 A 7 VAL C C 13 176 0.2 A 7 VAL CA C 13 64.5 0.2 A 7 VAL CB C 13 32.4 0.2 A 7 VAL CGy C 13 23.9 0.2 A 7 VAL CGx C 13 22.9 0.2 A 7 VAL N N 15 126.8 0.2 A 8 ASN H H 1 9.44 0.02 A 8 ASN HA H 1 5.16 0.02 A 8 ASN HBy H 1 2.88 0.02 A 8 ASN HBx H 1 2.32 0.02 A 8 ASN HD2y H 1 7.74 0.02 A 8 ASN HD2x H 1 7.01 0.02 A 8 ASN C C 13 173.8 0.2 A 8 ASN CA C 13 52.1 0.2 A 8 ASN CB C 13 39.3 0.2 A 8 ASN CG C 13 176.7 0.2 A 8 ASN N N 15 131.4 0.2 A 8 ASN ND2 N 15 112.2 0.2 A 9 VAL H H 1 7.29 0.02 A 9 VAL HA H 1 4.61 0.02 A 9 VAL HB H 1 2.14 0.02 A 9 VAL HGx% H 1 0.79 0.02 A 9 VAL HGy% H 1 0.55 0.02 A 9 VAL C C 13 174.9 0.2 A 9 VAL CA C 13 59.9 0.2 A 9 VAL CB C 13 35.2 0.2 A 9 VAL CGy C 13 22.3 0.2 A 9 VAL CGx C 13 19.2 0.2 A 9 VAL N N 15 113.1 0.2 A 10 SER H H 1 8.6 0.02 A 10 SER HA H 1 4.43 0.02 A 10 SER HBy H 1 3.96 0.02 A 10 SER HBx H 1 3.9 0.02 A 10 SER C C 13 175.1 0.2 A 10 SER CA C 13 59.9 0.2 A 10 SER CB C 13 63.4 0.2 A 10 SER N N 15 115.9 0.2 A 11 SER H H 1 7.56 0.02 A 11 SER HA H 1 4.64 0.02 A 11 SER HBy H 1 3.98 0.02 A 11 SER HBx H 1 3.83 0.02 A 11 SER C C 13 173.2 0.2 A 11 SER CA C 13 57.2 0.2 A 11 SER CB C 13 63.3 0.2 A 11 SER N N 15 115.3 0.2 A 12 SER H H 1 8.37 0.02 A 12 SER HA H 1 4.83 0.02 A 12 SER HBy H 1 3.65 0.02 A 12 SER HBx H 1 3.57 0.02 A 12 SER C C 13 171.9 0.2 A 12 SER CA C 13 57.7 0.2 A 12 SER CB C 13 65.6 0.2 A 12 SER N N 15 116.2 0.2 A 13 LEU H H 1 9.13 0.02 A 13 LEU HA H 1 4.6 0.02 A 13 LEU HBy H 1 1.72 0.02 A 13 LEU HBx H 1 1.16 0.02 A 13 LEU HDx% H 1 0.93 0.02 A 13 LEU HDy% H 1 0.92 0.02 A 13 LEU HG H 1 1.68 0.02 A 13 LEU C C 13 175.4 0.2 A 13 LEU CA C 13 52.8 0.2 A 13 LEU CB C 13 46.3 0.2 A 13 LEU CDx C 13 24.9 0.2 A 13 LEU CDy C 13 28.2 0.2 A 13 LEU CG C 13 26.8 0.2 A 13 LEU N N 15 124.1 0.2 A 14 ASN H H 1 8.74 0.02 A 14 ASN HA H 1 4.89 0.02 A 14 ASN HBy H 1 2.86 0.02 A 14 ASN HBx H 1 2.45 0.02 A 14 ASN HD2y H 1 7.26 0.02 A 14 ASN HD2x H 1 7.19 0.02 A 14 ASN C C 13 173.4 0.2 A 14 ASN CA C 13 53.7 0.2 A 14 ASN CB C 13 39.4 0.2 A 14 ASN CG C 13 175 0.2 A 14 ASN N N 15 123.7 0.2 A 14 ASN ND2 N 15 112.9 0.2 A 15 VAL H H 1 8.46 0.02 A 15 VAL HA H 1 4.21 0.02 A 15 VAL HB H 1 1.04 0.02 A 15 VAL HGx% H 1 0.24 0.02 A 15 VAL HGy% H 1 0.28 0.02 A 15 VAL C C 13 175.9 0.2 A 15 VAL CA C 13 61 0.2 A 15 VAL CB C 13 32.6 0.2 A 15 VAL CGy C 13 21.2 0.2 A 15 VAL CGx C 13 20.4 0.2 A 15 VAL N N 15 122.2 0.2 A 16 ARG H H 1 9.44 0.02 A 16 ARG HA H 1 5.39 0.02 A 16 ARG HBy H 1 2.09 0.02 A 16 ARG HBx H 1 1.79 0.02 A 16 ARG HDy H 1 3.21 0.02 A 16 ARG HDx H 1 3.12 0.02 A 16 ARG HE H 1 7.63 0.02 A 16 ARG HGy H 1 1.67 0.02 A 16 ARG HGx H 1 1.45 0.02 A 16 ARG C C 13 177.3 0.2 A 16 ARG CA C 13 54.5 0.2 A 16 ARG CB C 13 33.4 0.2 A 16 ARG CD C 13 43.6 0.2 A 16 ARG CG C 13 29 0.2 A 16 ARG CZ C 13 159.5 0.2 A 16 ARG N N 15 125.6 0.2 A 16 ARG NE N 15 85.2 0.2 A 17 GLU H H 1 8.95 0.02 A 17 GLU HA H 1 4.32 0.02 A 17 GLU HBy H 1 2.19 0.02 A 17 GLU HBx H 1 2.07 0.02 A 17 GLU HGy H 1 2.5 0.02 A 17 GLU HGx H 1 2.35 0.02 A 17 GLU C C 13 175.5 0.2 A 17 GLU CA C 13 57.6 0.2 A 17 GLU CB C 13 30.8 0.2 A 17 GLU CG C 13 35.8 0.2 A 17 GLU N N 15 119 0.2 A 18 GLY H H 1 7.7 0.02 A 18 GLY HAy H 1 4.02 0.02 A 18 GLY HAx H 1 3.27 0.02 A 18 GLY C C 13 171.2 0.2 A 18 GLY CA C 13 43.3 0.2 A 18 GLY N N 15 105 0.2 A 19 ALA H H 1 7.31 0.02 A 19 ALA HA H 1 2.69 0.02 A 19 ALA HB% H 1 0.62 0.02 A 19 ALA C C 13 176.2 0.2 A 19 ALA CA C 13 49.5 0.2 A 19 ALA CB C 13 16.3 0.2 A 19 ALA N N 15 121.8 0.2 A 20 SER H H 1 7.33 0.02 A 20 SER HA H 1 4.57 0.02 A 20 SER HBy H 1 3.87 0.02 A 20 SER HBx H 1 3.34 0.02 A 20 SER C C 13 175.7 0.2 A 20 SER CA C 13 56.9 0.2 A 20 SER CB C 13 64.6 0.2 A 20 SER N N 15 114 0.2 A 21 THR H H 1 9.17 0.02 A 21 THR HA H 1 4.07 0.02 A 21 THR HB H 1 4.54 0.02 A 21 THR HG2% H 1 1.51 0.02 A 21 THR C C 13 174.3 0.2 A 21 THR CA C 13 64.3 0.2 A 21 THR CB C 13 68.5 0.2 A 21 THR CG2 C 13 22.8 0.2 A 21 THR N N 15 118.1 0.2 A 22 SER H H 1 8.03 0.02 A 22 SER HA H 1 4.59 0.02 A 22 SER HBy H 1 3.9 0.02 A 22 SER HBx H 1 3.83 0.02 A 22 SER C C 13 174.7 0.2 A 22 SER CA C 13 58.1 0.2 A 22 SER CB C 13 63.7 0.2 A 22 SER N N 15 113.4 0.2 A 23 SER H H 1 7.25 0.02 A 23 SER HA H 1 4.33 0.02 A 23 SER HBy H 1 3.95 0.02 A 23 SER HBx H 1 3.76 0.02 A 23 SER C C 13 173.3 0.2 A 23 SER CA C 13 58.7 0.2 A 23 SER CB C 13 64.8 0.2 A 23 SER N N 15 118 0.2 A 24 LYS H H 1 8.58 0.02 A 24 LYS HA H 1 4.08 0.02 A 24 LYS HBy H 1 1.78 0.02 A 24 LYS HBx H 1 1.7 0.02 A 24 LYS HDx H 1 1.69 0.02 A 24 LYS HDy H 1 1.69 0.02 A 24 LYS HEx H 1 2.98 0.02 A 24 LYS HEy H 1 2.98 0.02 A 24 LYS HGy H 1 1.46 0.02 A 24 LYS HGx H 1 1.39 0.02 A 24 LYS C C 13 176 0.2 A 24 LYS CA C 13 57.4 0.2 A 24 LYS CB C 13 33.8 0.2 A 24 LYS CD C 13 29.5 0.2 A 24 LYS CE C 13 42.1 0.2 A 24 LYS CG C 13 24.8 0.2 A 24 LYS N N 15 122.6 0.2 A 25 VAL H H 1 8.56 0.02 A 25 VAL HA H 1 4.26 0.02 A 25 VAL HB H 1 2.02 0.02 A 25 VAL HGx% H 1 1.04 0.02 A 25 VAL HGy% H 1 1.01 0.02 A 25 VAL C C 13 177.4 0.2 A 25 VAL CA C 13 63.6 0.2 A 25 VAL CB C 13 32.1 0.2 A 25 VAL CGx C 13 21.9 0.2 A 25 VAL CGy C 13 22.3 0.2 A 25 VAL N N 15 123.8 0.2 A 26 ILE H H 1 9.04 0.02 A 26 ILE HA H 1 4.66 0.02 A 26 ILE HB H 1 2.25 0.02 A 26 ILE HD1% H 1 0.89 0.02 A 26 ILE HG1y H 1 0.9 0.02 A 26 ILE HG1x H 1 0.65 0.02 A 26 ILE HG2% H 1 0.94 0.02 A 26 ILE C C 13 175.2 0.2 A 26 ILE CA C 13 61 0.2 A 26 ILE CB C 13 39.2 0.2 A 26 ILE CD1 C 13 14.9 0.2 A 26 ILE CG1 C 13 26.3 0.2 A 26 ILE CG2 C 13 18.6 0.2 A 26 ILE N N 15 120.9 0.2 A 27 GLY H H 1 7.62 0.02 A 27 GLY HAy H 1 4.43 0.02 A 27 GLY HAx H 1 4.12 0.02 A 27 GLY C C 13 170.8 0.2 A 27 GLY CA C 13 45.2 0.2 A 27 GLY N N 15 109.5 0.2 A 28 SER H H 1 8.09 0.02 A 28 SER HA H 1 5.41 0.02 A 28 SER HBy H 1 3.76 0.02 A 28 SER HBx H 1 3.59 0.02 A 28 SER C C 13 173.2 0.2 A 28 SER CA C 13 57.2 0.2 A 28 SER CB C 13 66.1 0.2 A 28 SER N N 15 112.5 0.2 A 29 LEU H H 1 8.97 0.02 A 29 LEU HA H 1 4.95 0.02 A 29 LEU HBy H 1 1.6 0.02 A 29 LEU HBx H 1 1.42 0.02 A 29 LEU HDx% H 1 0.69 0.02 A 29 LEU HDy% H 1 1.10 0.02 A 29 LEU HG H 1 1.43 0.02 A 29 LEU C C 13 176.2 0.2 A 29 LEU CA C 13 53 0.2 A 29 LEU CB C 13 46.8 0.2 A 29 LEU CDy C 13 27.1 0.2 A 29 LEU CDx C 13 23.9 0.2 A 29 LEU CG C 13 26.5 0.2 A 29 LEU N N 15 122.6 0.2 A 30 SER H H 1 8.57 0.02 A 30 SER HA H 1 4.57 0.02 A 30 SER HBy H 1 3.96 0.02 A 30 SER HBx H 1 3.89 0.02 A 30 SER C C 13 175.8 0.2 A 30 SER CA C 13 57.9 0.2 A 30 SER CB C 13 64.5 0.2 A 30 SER N N 15 116.3 0.2 A 31 GLY H H 1 8.46 0.02 A 31 GLY HAy H 1 3.98 0.02 A 31 GLY HAx H 1 3.68 0.02 A 31 GLY C C 13 173.9 0.2 A 31 GLY CA C 13 47.3 0.2 A 31 GLY N N 15 109.9 0.2 A 32 ASN H H 1 8.93 0.02 A 32 ASN HA H 1 4.38 0.02 A 32 ASN HBy H 1 3.12 0.02 A 32 ASN HBx H 1 3.07 0.02 A 32 ASN HD2y H 1 7.59 0.02 A 32 ASN HD2x H 1 6.9 0.02 A 32 ASN C C 13 174.7 0.2 A 32 ASN CA C 13 55.2 0.2 A 32 ASN CB C 13 37.8 0.2 A 32 ASN CG C 13 178.1 0.2 A 32 ASN N N 15 116.7 0.2 A 32 ASN ND2 N 15 112.8 0.2 A 33 THR H H 1 7.41 0.02 A 33 THR HA H 1 4.24 0.02 A 33 THR HB H 1 4.05 0.02 A 33 THR HG2% H 1 1.36 0.02 A 33 THR C C 13 173 0.2 A 33 THR CA C 13 64 0.2 A 33 THR CB C 13 70 0.2 A 33 THR CG2 C 13 22 0.2 A 33 THR N N 15 115.4 0.2 A 34 LYS H H 1 8.76 0.02 A 34 LYS HA H 1 5.16 0.02 A 34 LYS HBx H 1 1.82 0.02 A 34 LYS HBy H 1 1.82 0.02 A 34 LYS HDx H 1 1.69 0.02 A 34 LYS HDy H 1 1.69 0.02 A 34 LYS HEx H 1 2.96 0.02 A 34 LYS HEy H 1 2.96 0.02 A 34 LYS HGy H 1 1.59 0.02 A 34 LYS HGx H 1 1.41 0.02 A 34 LYS C C 13 176.6 0.2 A 34 LYS CA C 13 56.1 0.2 A 34 LYS CB C 13 33.4 0.2 A 34 LYS CD C 13 29.5 0.2 A 34 LYS CE C 13 42 0.2 A 34 LYS CG C 13 25.3 0.2 A 34 LYS N N 15 127.4 0.2 A 35 VAL H H 1 9.06 0.02 A 35 VAL HA H 1 4.84 0.02 A 35 VAL HB H 1 1.99 0.02 A 35 VAL HGx% H 1 0.82 0.02 A 35 VAL HGy% H 1 0.58 0.02 A 35 VAL C C 13 174.4 0.2 A 35 VAL CA C 13 58.5 0.2 A 35 VAL CB C 13 34.9 0.2 A 35 VAL CGy C 13 23.1 0.2 A 35 VAL CGx C 13 18.6 0.2 A 35 VAL N N 15 117.8 0.2 A 36 THR H H 1 9.28 0.02 A 36 THR HA H 1 4.63 0.02 A 36 THR HB H 1 3.97 0.02 A 36 THR HG2% H 1 1.11 0.02 A 36 THR C C 13 173.7 0.2 A 36 THR CA C 13 62.7 0.2 A 36 THR CB C 13 69.6 0.2 A 36 THR CG2 C 13 21.8 0.2 A 36 THR N N 15 120.1 0.2 A 37 ILE H H 1 9.07 0.02 A 37 ILE HA H 1 4.26 0.02 A 37 ILE HB H 1 1.33 0.02 A 37 ILE HD1% H 1 -0.03 0.02 A 37 ILE HG1y H 1 1.28 0.02 A 37 ILE HG1x H 1 0.32 0.02 A 37 ILE HG2% H 1 0.81 0.02 A 37 ILE C C 13 176.3 0.2 A 37 ILE CA C 13 61.4 0.2 A 37 ILE CB C 13 40.1 0.2 A 37 ILE CD1 C 13 13.9 0.2 A 37 ILE CG1 C 13 28 0.2 A 37 ILE CG2 C 13 17.6 0.2 A 37 ILE N N 15 128.3 0.2 A 38 VAL H H 1 9.05 0.02 A 38 VAL HA H 1 4.73 0.02 A 38 VAL HB H 1 2.42 0.02 A 38 VAL HGx% H 1 0.93 0.02 A 38 VAL HGy% H 1 0.52 0.02 A 38 VAL C C 13 175.6 0.2 A 38 VAL CA C 13 60.3 0.2 A 38 VAL CB C 13 32.1 0.2 A 38 VAL CGy C 13 22 0.2 A 38 VAL CGx C 13 18.8 0.2 A 38 VAL N N 15 119.3 0.2 A 39 GLY H H 1 7.87 0.02 A 39 GLY HAy H 1 4.27 0.02 A 39 GLY HAx H 1 4.23 0.02 A 39 GLY C C 13 171.3 0.2 A 39 GLY CA C 13 45.6 0.2 A 39 GLY N N 15 109.6 0.2 A 40 GLU H H 1 8.78 0.02 A 40 GLU HA H 1 5.21 0.02 A 40 GLU HBy H 1 2.26 0.02 A 40 GLU HBx H 1 2.08 0.02 A 40 GLU HGy H 1 2.31 0.02 A 40 GLU HGx H 1 2.27 0.02 A 40 GLU C C 13 174.3 0.2 A 40 GLU CA C 13 55.7 0.2 A 40 GLU CB C 13 33 0.2 A 40 GLU CG C 13 34.9 0.2 A 40 GLU N N 15 119 0.2 A 41 GLU H H 1 8.84 0.02 A 41 GLU HA H 1 4.47 0.02 A 41 GLU HBy H 1 2.04 0.02 A 41 GLU HBx H 1 1.87 0.02 A 41 GLU HGx H 1 2.21 0.02 A 41 GLU HGy H 1 2.21 0.02 A 41 GLU C C 13 175 0.2 A 41 GLU CA C 13 56.2 0.2 A 41 GLU CB C 13 32.4 0.2 A 41 GLU CG C 13 35.8 0.2 A 41 GLU N N 15 124 0.2 A 42 GLY H H 1 8.98 0.02 A 42 GLY HAy H 1 4.08 0.02 A 42 GLY HAx H 1 3.73 0.02 A 42 GLY C C 13 174.8 0.2 A 42 GLY CA C 13 47.3 0.2 A 42 GLY N N 15 115.7 0.2 A 43 ALA H H 1 8.9 0.02 A 43 ALA HA H 1 4.36 0.02 A 43 ALA HB% H 1 1.19 0.02 A 43 ALA C C 13 176 0.2 A 43 ALA CA C 13 51.7 0.2 A 43 ALA CB C 13 18.3 0.2 A 43 ALA N N 15 129.3 0.2 A 44 PHE H H 1 8.37 0.02 A 44 PHE HA H 1 4.99 0.02 A 44 PHE HBy H 1 3.2 0.02 A 44 PHE HBx H 1 3.08 0.02 A 44 PHE HDx H 1 6.99 0.02 A 44 PHE HDy H 1 6.99 0.02 A 44 PHE HEx H 1 7.29 0.02 A 44 PHE HEy H 1 7.29 0.02 A 44 PHE HZ H 1 7.11 0.02 A 44 PHE C C 13 175.6 0.2 A 44 PHE CA C 13 58 0.2 A 44 PHE CB C 13 43 0.2 A 44 PHE CDx C 13 131.5 0.2 A 44 PHE CDy C 13 131.5 0.2 A 44 PHE CEx C 13 131.2 0.2 A 44 PHE CEy C 13 131.2 0.2 A 44 PHE CZ C 13 129.5 0.2 A 44 PHE N N 15 117.8 0.2 A 45 TYR H H 1 9.47 0.02 A 45 TYR HA H 1 5.26 0.02 A 45 TYR HBy H 1 3.06 0.02 A 45 TYR HBx H 1 2.56 0.02 A 45 TYR HDx H 1 7.08 0.02 A 45 TYR HDy H 1 7.08 0.02 A 45 TYR HEx H 1 6.86 0.02 A 45 TYR HEy H 1 6.86 0.02 A 45 TYR C C 13 174.8 0.2 A 45 TYR CA C 13 57.2 0.2 A 45 TYR CB C 13 40.6 0.2 A 45 TYR CDx C 13 132.8 0.2 A 45 TYR CDy C 13 132.8 0.2 A 45 TYR CEx C 13 118.3 0.2 A 45 TYR CEy C 13 118.3 0.2 A 45 TYR N N 15 117.7 0.2 A 46 LYS H H 1 8.62 0.02 A 46 LYS HA H 1 4.33 0.02 A 46 LYS HBy H 1 1.35 0.02 A 46 LYS HBx H 1 1.24 0.02 A 46 LYS HDy H 1 1.44 0.02 A 46 LYS HDx H 1 1.22 0.02 A 46 LYS HEy H 1 2.47 0.02 A 46 LYS HEx H 1 2.18 0.02 A 46 LYS HGy H 1 0.63 0.02 A 46 LYS HGx H 1 0.42 0.02 A 46 LYS C C 13 175.6 0.2 A 46 LYS CA C 13 54.7 0.2 A 46 LYS CB C 13 34.4 0.2 A 46 LYS CD C 13 30.1 0.2 A 46 LYS CE C 13 41.7 0.2 A 46 LYS CG C 13 25.1 0.2 A 46 LYS N N 15 124.8 0.2 A 47 ILE H H 1 9.19 0.02 A 47 ILE HA H 1 5.67 0.02 A 47 ILE HB H 1 1.94 0.02 A 47 ILE HD1% H 1 0.75 0.02 A 47 ILE HG1y H 1 1.08 0.02 A 47 ILE HG1x H 1 0.63 0.02 A 47 ILE HG2% H 1 0.69 0.02 A 47 ILE C C 13 177.1 0.2 A 47 ILE CA C 13 58.4 0.2 A 47 ILE CB C 13 42.7 0.2 A 47 ILE CD1 C 13 15.5 0.2 A 47 ILE CG1 C 13 25.4 0.2 A 47 ILE CG2 C 13 18.3 0.2 A 47 ILE N N 15 120.2 0.2 A 48 GLU H H 1 7.82 0.02 A 48 GLU HA H 1 4.46 0.02 A 48 GLU HBy H 1 2.08 0.02 A 48 GLU HBx H 1 1.96 0.02 A 48 GLU HGy H 1 2.34 0.02 A 48 GLU HGx H 1 2.23 0.02 A 48 GLU C C 13 176.2 0.2 A 48 GLU CA C 13 56.7 0.2 A 48 GLU CB C 13 29.8 0.2 A 48 GLU CG C 13 35.8 0.2 A 48 GLU N N 15 120.3 0.2 A 49 TYR H H 1 8.15 0.02 A 49 TYR HA H 1 4.56 0.02 A 49 TYR HBy H 1 2.64 0.02 A 49 TYR HBx H 1 2.25 0.02 A 49 TYR HDx H 1 7.02 0.02 A 49 TYR HDy H 1 7.02 0.02 A 49 TYR HEx H 1 6.73 0.02 A 49 TYR HEy H 1 6.73 0.02 A 49 TYR C C 13 173.7 0.2 A 49 TYR CA C 13 58.7 0.2 A 49 TYR CB C 13 40.6 0.2 A 49 TYR CDx C 13 133.1 0.2 A 49 TYR CDy C 13 133.1 0.2 A 49 TYR CEx C 13 118.3 0.2 A 49 TYR CEy C 13 118.3 0.2 A 49 TYR N N 15 124.5 0.2 A 50 LYS H H 1 9.06 0.02 A 50 LYS HA H 1 3.56 0.02 A 50 LYS HBy H 1 1.65 0.02 A 50 LYS HBx H 1 1.19 0.02 A 50 LYS HDx H 1 1.43 0.02 A 50 LYS HDy H 1 1.43 0.02 A 50 LYS HEx H 1 2.86 0.02 A 50 LYS HEy H 1 2.86 0.02 A 50 LYS HGy H 1 0.68 0.02 A 50 LYS HGx H 1 0.32 0.02 A 50 LYS C C 13 176 0.2 A 50 LYS CA C 13 57.4 0.2 A 50 LYS CB C 13 30.5 0.2 A 50 LYS CD C 13 29.5 0.2 A 50 LYS CE C 13 42.3 0.2 A 50 LYS CG C 13 25 0.2 A 50 LYS N N 15 128.2 0.2 A 51 GLY H H 1 8.56 0.02 A 51 GLY HAy H 1 4.08 0.02 A 51 GLY HAx H 1 3.66 0.02 A 51 GLY C C 13 173.9 0.2 A 51 GLY CA C 13 45.6 0.2 A 51 GLY N N 15 106.9 0.2 A 52 SER H H 1 7.96 0.02 A 52 SER HA H 1 4.54 0.02 A 52 SER HBy H 1 3.91 0.02 A 52 SER HBx H 1 3.85 0.02 A 52 SER C C 13 175.2 0.2 A 52 SER CA C 13 54.9 0.2 A 52 SER CB C 13 63.3 0.2 A 52 SER N N 15 117.1 0.2 A 53 HIS H H 1 8.77 0.02 A 53 HIS HA H 1 5.81 0.02 A 53 HIS HBx H 1 2.96 0.02 A 53 HIS HBy H 1 2.96 0.02 A 53 HIS HD2 H 1 6.67 0.02 A 53 HIS HE1 H 1 8.54 0.02 A 53 HIS C C 13 173.1 0.2 A 53 HIS CA C 13 54.8 0.2 A 53 HIS CB C 13 32.3 0.2 A 53 HIS CD2 C 13 118.6 0.2 A 53 HIS CE1 C 13 137.5 0.2 A 53 HIS N N 15 119.6 0.2 A 53 HIS ND1 N 15 177.5 0.2 A 53 HIS NE2 N 15 186.2 0.2 A 54 GLY H H 1 8.3 0.02 A 54 GLY HAy H 1 4.39 0.02 A 54 GLY HAx H 1 3.36 0.02 A 54 GLY C C 13 175.7 0.2 A 54 GLY CA C 13 44.2 0.2 A 54 GLY N N 15 106.4 0.2 A 55 TYR H H 1 9.19 0.02 A 55 TYR HA H 1 5.88 0.02 A 55 TYR HBy H 1 2.49 0.02 A 55 TYR HBx H 1 2.31 0.02 A 55 TYR HDx H 1 6.62 0.02 A 55 TYR HDy H 1 6.62 0.02 A 55 TYR HEx H 1 6.68 0.02 A 55 TYR HEy H 1 6.68 0.02 A 55 TYR C C 13 176.1 0.2 A 55 TYR CA C 13 57.3 0.2 A 55 TYR CB C 13 41.2 0.2 A 55 TYR CDx C 13 132.7 0.2 A 55 TYR CDy C 13 132.7 0.2 A 55 TYR CEx C 13 117.7 0.2 A 55 TYR CEy C 13 117.7 0.2 A 55 TYR N N 15 118.3 0.2 A 56 VAL H H 1 9.09 0.02 A 56 VAL HA H 1 5.24 0.02 A 56 VAL HB H 1 2.21 0.02 A 56 VAL HGx% H 1 0.98 0.02 A 56 VAL HGy% H 1 0.96 0.02 A 56 VAL C C 13 174.7 0.2 A 56 VAL CA C 13 58 0.2 A 56 VAL CB C 13 36.1 0.2 A 56 VAL CGy C 13 23.7 0.2 A 56 VAL CGx C 13 19.6 0.2 A 56 VAL N N 15 112.7 0.2 A 57 ALA H H 1 9.17 0.02 A 57 ALA HA H 1 3.71 0.02 A 57 ALA HB% H 1 1.41 0.02 A 57 ALA C C 13 177.7 0.2 A 57 ALA CA C 13 53.4 0.2 A 57 ALA CB C 13 18.6 0.2 A 57 ALA N N 15 128.9 0.2 A 58 LYS H H 1 8.03 0.02 A 58 LYS HA H 1 3.74 0.02 A 58 LYS HBy H 1 1.3 0.02 A 58 LYS HBx H 1 1.2 0.02 A 58 LYS HDx H 1 1.13 0.02 A 58 LYS HDy H 1 1.13 0.02 A 58 LYS HEy H 1 2.55 0.02 A 58 LYS HEx H 1 2.37 0.02 A 58 LYS HGy H 1 0.51 0.02 A 58 LYS HGx H 1 -0.41 0.02 A 58 LYS C C 13 178.9 0.2 A 58 LYS CA C 13 59.5 0.2 A 58 LYS CB C 13 33.4 0.2 A 58 LYS CD C 13 30.3 0.2 A 58 LYS CE C 13 41.7 0.2 A 58 LYS CG C 13 24.3 0.2 A 58 LYS N N 15 120.9 0.2 A 59 GLU H H 1 8.47 0.02 A 59 GLU HA H 1 4 0.02 A 59 GLU HBy H 1 1.79 0.02 A 59 GLU HBx H 1 1.47 0.02 A 59 GLU HGy H 1 1.53 0.02 A 59 GLU HGx H 1 1.46 0.02 A 59 GLU C C 13 176.3 0.2 A 59 GLU CA C 13 57.8 0.2 A 59 GLU CB C 13 28.7 0.2 A 59 GLU CG C 13 34 0.2 A 59 GLU N N 15 113.9 0.2 A 60 TYR H H 1 7.19 0.02 A 60 TYR HA H 1 4.88 0.02 A 60 TYR HBy H 1 3.6 0.02 A 60 TYR HBx H 1 2.57 0.02 A 60 TYR HDx H 1 7.21 0.02 A 60 TYR HDy H 1 7.21 0.02 A 60 TYR HEx H 1 6.87 0.02 A 60 TYR HEy H 1 6.87 0.02 A 60 TYR C C 13 172.8 0.2 A 60 TYR CA C 13 57.6 0.2 A 60 TYR CB C 13 39.7 0.2 A 60 TYR CDx C 13 133.2 0.2 A 60 TYR CDy C 13 133.2 0.2 A 60 TYR CEx C 13 118.4 0.2 A 60 TYR CEy C 13 118.4 0.2 A 60 TYR N N 15 116.8 0.2 A 61 ILE H H 1 7.65 0.02 A 61 ILE HA H 1 4.89 0.02 A 61 ILE HB H 1 2.3 0.02 A 61 ILE HD1% H 1 0.66 0.02 A 61 ILE HG1y H 1 1.93 0.02 A 61 ILE HG1x H 1 1.18 0.02 A 61 ILE HG2% H 1 0.69 0.02 A 61 ILE C C 13 174.8 0.2 A 61 ILE CA C 13 57.6 0.2 A 61 ILE CB C 13 37.1 0.2 A 61 ILE CD1 C 13 10.2 0.2 A 61 ILE CG1 C 13 27.1 0.2 A 61 ILE CG2 C 13 18.2 0.2 A 61 ILE N N 15 120.4 0.2 A 62 LYS H H 1 9.32 0.02 A 62 LYS HA H 1 4.98 0.02 A 62 LYS HBy H 1 1.92 0.02 A 62 LYS HBx H 1 1.75 0.02 A 62 LYS HDy H 1 1.62 0.02 A 62 LYS HDx H 1 1.53 0.02 A 62 LYS HEx H 1 2.92 0.02 A 62 LYS HGy H 1 1.29 0.02 A 62 LYS HGx H 1 1.22 0.02 A 62 LYS C C 13 174.3 0.2 A 62 LYS CA C 13 53.4 0.2 A 62 LYS CB C 13 36.2 0.2 A 62 LYS CD C 13 29.4 0.2 A 62 LYS CE C 13 42.4 0.2 A 62 LYS CG C 13 24.7 0.2 A 62 LYS N N 15 125.8 0.2 A 63 ASP H H 1 8.66 0.02 A 63 ASP HA H 1 4.24 0.02 A 63 ASP HBy H 1 2.87 0.02 A 63 ASP HBx H 1 2.59 0.02 A 63 ASP C C 13 174.3 0.2 A 63 ASP CA C 13 54.6 0.2 A 63 ASP CB C 13 38.9 0.2 A 63 ASP N N 15 118.5 0.2 A 64 ILE H H 1 7.98 0.02 A 64 ILE HA H 1 4.74 0.02 A 64 ILE HB H 1 1.7 0.02 A 64 ILE HD1% H 1 0.66 0.02 A 64 ILE HG1y H 1 1.36 0.02 A 64 ILE HG1x H 1 0.9 0.02 A 64 ILE HG2% H 1 0.7 0.02 A 64 ILE C C 13 177.7 0.2 A 64 ILE CA C 13 61.1 0.2 A 64 ILE CB C 13 37.3 0.2 A 64 ILE CD1 C 13 13.5 0.2 A 64 ILE CG1 C 13 28.9 0.2 A 64 ILE CG2 C 13 18 0.2 A 64 ILE N N 15 118.5 0.2 A 65 LYS H H 1 8.87 0.02 A 65 LYS HA H 1 4.62 0.02 A 65 LYS HBy H 1 1.79 0.02 A 65 LYS HBx H 1 1.67 0.02 A 65 LYS HDx H 1 1.63 0.02 A 65 LYS HDy H 1 1.63 0.02 A 65 LYS HEx H 1 2.93 0.02 A 65 LYS HEy H 1 2.93 0.02 A 65 LYS HGx H 1 1.35 0.02 A 65 LYS HGy H 1 1.35 0.02 A 65 LYS C C 13 175 0.2 A 65 LYS CA C 13 55.1 0.2 A 65 LYS CB C 13 35.7 0.2 A 65 LYS CD C 13 29.2 0.2 A 65 LYS CE C 13 42.3 0.2 A 65 LYS CG C 13 24.2 0.2 A 65 LYS N N 15 127.8 0.2 A 66 ASP H H 1 8.45 0.02 A 66 ASP HA H 1 4.85 0.02 A 66 ASP HBy H 1 2.67 0.02 A 66 ASP HBx H 1 2.53 0.02 A 66 ASP C C 13 176.2 0.2 A 66 ASP CA C 13 54.4 0.2 A 66 ASP CB C 13 41.3 0.2 A 66 ASP N N 15 121.5 0.2 A 67 GLU H H 1 8.52 0.02 A 67 GLU HA H 1 4.36 0.02 A 67 GLU HBy H 1 2 0.02 A 67 GLU HBx H 1 1.87 0.02 A 67 GLU HGy H 1 2.26 0.02 A 67 GLU HGx H 1 2.21 0.02 A 67 GLU C C 13 175.9 0.2 A 67 GLU CA C 13 56.4 0.2 A 67 GLU CB C 13 30.5 0.2 A 67 GLU CG C 13 35.3 0.2 A 67 GLU N N 15 122.7 0.2 A 68 VAL H H 1 8.32 0.02 A 68 VAL HA H 1 4.04 0.02 A 68 VAL HB H 1 2.04 0.02 A 68 VAL HGx% H 1 0.91 0.02 A 68 VAL HGy% H 1 0.91 0.02 A 68 VAL C C 13 176.2 0.2 A 68 VAL CA C 13 62.7 0.2 A 68 VAL CB C 13 32.5 0.2 A 68 VAL CGy C 13 21.3 0.2 A 68 VAL CGx C 13 21.1 0.2 A 68 VAL N N 15 122.4 0.2 A 69 LEU H H 1 8.25 0.02 A 69 LEU HA H 1 4.29 0.02 A 69 LEU HBy H 1 1.58 0.02 A 69 LEU HBx H 1 1.47 0.02 A 69 LEU HDx% H 1 0.88 0.02 A 69 LEU HDy% H 1 0.81 0.02 A 69 LEU HG H 1 1.53 0.02 A 69 LEU C C 13 177.2 0.2 A 69 LEU CA C 13 55.2 0.2 A 69 LEU CB C 13 42.5 0.2 A 69 LEU CDy C 13 25 0.2 A 69 LEU CDx C 13 23.6 0.2 A 69 LEU CG C 13 27 0.2 A 69 LEU N N 15 125.7 0.2 A 70 GLU H H 1 8.24 0.02 A 70 GLU HA H 1 4.19 0.02 A 70 GLU HBx H 1 1.88 0.02 A 70 GLU HBy H 1 1.88 0.02 A 70 GLU HGx H 1 2.21 0.02 A 70 GLU HGy H 1 2.21 0.02 A 70 GLU C C 13 176.2 0.2 A 70 GLU CA C 13 56.4 0.2 A 70 GLU CB C 13 30.2 0.2 A 70 GLU CG C 13 35.5 0.2 A 70 GLU N N 15 121.1 0.2 A 71 HIS H H 1 8.47 0.02 A 71 HIS HA H 1 4.62 0.02 A 71 HIS HBx H 1 3.08 0.02 A 71 HIS HBy H 1 3.08 0.02 A 71 HIS C C 13 174.4 0.2 A 71 HIS CA C 13 55.3 0.2 A 71 HIS CB C 13 29 0.2 A 71 HIS N N 15 119 0.2 A 72 HIS H H 1 8.54 0.02 A 72 HIS HA H 1 4.65 0.02 A 72 HIS HBy H 1 3.19 0.02 A 72 HIS HBx H 1 3.13 0.02 A 72 HIS C C 13 174.2 0.2 A 72 HIS CA C 13 55.4 0.2 A 72 HIS CB C 13 29.1 0.2 A 72 HIS N N 15 118.8 0.2 A 73 HIS H H 1 8.63 0.02 A 73 HIS HA H 1 4.68 0.02 A 73 HIS HBx H 1 3.18 0.02 A 73 HIS HBy H 1 3.18 0.02 A 73 HIS C C 13 174.2 0.2 A 73 HIS CA C 13 55.4 0.2 A 73 HIS CB C 13 29.2 0.2 A 73 HIS N N 15 119.5 0.2 A 74 HIS H H 1 8.68 0.02 A 74 HIS HA H 1 4.69 0.02 A 74 HIS HBx H 1 3.18 0.02 A 74 HIS HBy H 1 3.18 0.02 A 74 HIS C C 13 174 0.2 A 74 HIS CA C 13 55.4 0.2 A 74 HIS CB C 13 29.3 0.2 A 74 HIS N N 15 120.3 0.2 A 75 HIS H H 1 8.58 0.02 A 75 HIS HA H 1 4.66 0.02 A 75 HIS HBx H 1 3.24 0.02 A 75 HIS HBy H 1 3.24 0.02 A 75 HIS C C 13 173.5 0.2 A 75 HIS CA C 13 55.5 0.2 A 75 HIS CB C 13 29.5 0.2 A 75 HIS N N 15 120.6 0.2 A 76 HIS H H 1 8.4 0.02 A 76 HIS CA C 13 57.2 0.2 A 76 HIS CB C 13 29.7 0.2 A 76 HIS N N 15 125.6 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 ALA HB% A 2 GLU HA 1.0 1.8 5.21 2 2 A 1 ALA HB% A 2 GLU H 1.0 1.8 4.33 3 3 A 2 GLU HA A 3 LYS H 1.0 1.8 3.50 4 4 A 3 LYS H A 2 GLU HBy 1.0 1.8 4.06 5 4 A 3 LYS H A 2 GLU HBx 1.0 1.8 4.06 6 5 A 36 THR HG2% A 2 GLU HBy 1.0 1.8 4.66 7 5 A 2 GLU HBx A 36 THR HG2% 1.0 1.8 4.66 8 6 A 3 LYS H A 2 GLU HGx 1.0 1.8 4.54 9 6 A 3 LYS H A 2 GLU HGy 1.0 1.8 4.54 10 7 A 36 THR HG2% A 2 GLU HGx 1.0 1.8 4.10 11 7 A 36 THR HG2% A 2 GLU HGy 1.0 1.8 4.10 12 8 A 2 GLU H A 2 GLU HBy 1.0 1.8 3.75 13 8 A 2 GLU H A 2 GLU HBx 1.0 1.8 3.75 14 9 A 2 GLU H A 2 GLU HGx 1.0 1.8 4.51 15 9 A 2 GLU H A 2 GLU HGy 1.0 1.8 4.51 16 10 A 3 LYS HA A 4 THR HG2% 1.0 1.8 5.37 17 11 A 3 LYS HA A 4 THR H 1.0 1.8 3.72 18 12 A 4 THR H A 3 LYS HBx 1.0 1.8 4.22 19 12 A 4 THR H A 3 LYS HBy 1.0 1.8 4.22 20 13 A 37 ILE HB A 3 LYS HBx 1.0 1.8 3.90 21 13 A 3 LYS HBy A 37 ILE HB 1.0 1.8 3.90 22 14 A 37 ILE HD1% A 3 LYS HBx 1.0 1.8 4.27 23 14 A 3 LYS HBy A 37 ILE HD1% 1.0 1.8 4.27 24 15 A 37 ILE H A 3 LYS HBx 1.0 1.8 5.61 25 15 A 3 LYS HBy A 37 ILE H 1.0 1.8 5.61 26 16 A 64 ILE HG2% A 3 LYS HBx 1.0 1.8 4.44 27 16 A 3 LYS HBy A 64 ILE HG2% 1.0 1.8 4.44 28 17 A 3 LYS HEy A 3 LYS HBx 1.0 1.8 5.21 29 17 A 3 LYS HBx A 3 LYS HEx 1.0 1.8 5.21 30 18 A 3 LYS HBy A 3 LYS HEy 1.0 1.8 5.21 31 18 A 3 LYS HBy A 3 LYS HEx 1.0 1.8 5.21 32 19 A 37 ILE HG2% A 3 LYS HEx 1.0 1.8 5.20 33 19 A 3 LYS HEy A 37 ILE HG2% 1.0 1.8 5.20 34 20 A 4 THR H A 3 LYS HGx 1.0 1.8 4.81 35 20 A 4 THR H A 3 LYS HGy 1.0 1.8 4.81 36 21 A 37 ILE HD1% A 3 LYS HGx 1.0 1.8 5.20 37 21 A 37 ILE HD1% A 3 LYS HGy 1.0 1.8 5.20 38 22 A 37 ILE HG2% A 3 LYS HGx 1.0 1.8 5.29 39 22 A 37 ILE HG2% A 3 LYS HGy 1.0 1.8 5.29 40 23 A 64 ILE HG2% A 3 LYS HGx 1.0 1.8 4.54 41 23 A 64 ILE HG2% A 3 LYS HGy 1.0 1.8 4.54 42 24 A 3 LYS H A 3 LYS HBx 1.0 1.8 3.64 43 24 A 3 LYS H A 3 LYS HBy 1.0 1.8 3.64 44 25 A 3 LYS H A 3 LYS HGx 1.0 1.8 4.15 45 25 A 3 LYS H A 3 LYS HGy 1.0 1.8 4.15 46 26 A 3 LYS H A 36 THR HG2% 1.0 1.8 4.92 47 27 A 3 LYS H A 37 ILE HB 1.0 1.8 4.43 48 28 A 3 LYS H A 37 ILE HD1% 1.0 1.8 5.74 49 29 A 3 LYS H A 37 ILE HG2% 1.0 1.8 5.09 50 30 A 3 LYS H A 37 ILE H 1.0 1.8 4.29 51 31 A 4 THR HG2% A 4 THR HA 1.0 1.8 3.76 52 32 A 4 THR HA A 5 GLY H 1.0 1.8 3.85 53 33 A 4 THR HA A 36 THR HA 1.0 1.8 4.03 54 34 A 37 ILE HD1% A 4 THR HA 1.0 1.8 5.31 55 35 A 37 ILE H A 4 THR HA 1.0 1.8 4.49 56 36 A 5 GLY H A 4 THR HB 1.0 1.8 3.86 57 37 A 4 THR HB A 34 LYS HDx 1.0 1.8 5.20 58 37 A 4 THR HB A 34 LYS HDy 1.0 1.8 5.20 59 38 A 4 THR HB A 34 LYS HEx 1.0 1.8 5.21 60 38 A 4 THR HB A 34 LYS HEy 1.0 1.8 5.21 61 39 A 4 THR HB A 34 LYS HGx 1.0 1.8 5.04 62 40 A 4 THR HB A 34 LYS HGy 1.0 1.8 5.04 63 41 A 4 THR HG2% A 5 GLY H 1.0 1.8 5.00 64 42 A 4 THR HG2% A 34 LYS HDx 1.0 1.8 4.42 65 42 A 4 THR HG2% A 34 LYS HDy 1.0 1.8 4.42 66 43 A 4 THR HG2% A 34 LYS HEx 1.0 1.8 4.52 67 43 A 4 THR HG2% A 34 LYS HEy 1.0 1.8 4.52 68 44 A 4 THR HG2% A 36 THR HA 1.0 1.8 4.00 69 45 A 4 THR HG2% A 37 ILE H 1.0 1.8 6.05 70 46 A 4 THR HG2% A 4 THR H 1.0 1.8 4.65 71 47 A 35 VAL HGy% A 5 GLY HAx 1.0 1.8 5.08 72 47 A 5 GLY HAy A 35 VAL HGy% 1.0 1.8 5.08 73 48 A 37 ILE HD1% A 5 GLY HAx 1.0 1.8 4.35 74 48 A 37 ILE HD1% A 5 GLY HAy 1.0 1.8 4.35 75 49 A 61 ILE HG2% A 5 GLY HAx 1.0 1.8 3.80 76 49 A 5 GLY HAy A 61 ILE HG2% 1.0 1.8 3.80 77 50 A 5 GLY HAy A 64 ILE HG1x 1.0 1.8 4.79 78 50 A 5 GLY HAx A 64 ILE HG1x 1.0 1.8 4.79 79 50 A 64 ILE HG1y A 5 GLY HAx 1.0 1.8 4.79 80 50 A 5 GLY HAy A 64 ILE HG1y 1.0 1.8 4.79 81 51 A 6 ILE H A 5 GLY HAx 1.0 1.8 3.85 82 52 A 5 GLY HAy A 6 ILE H 1.0 1.8 3.85 83 53 A 5 GLY H A 35 VAL HGy% 1.0 1.8 4.25 84 54 A 5 GLY H A 35 VAL H 1.0 1.8 4.23 85 55 A 6 ILE HA A 6 ILE HD1% 1.0 1.8 3.72 86 56 A 6 ILE HA A 7 VAL HGy% 1.0 1.8 4.60 87 57 A 6 ILE HA A 7 VAL H 1.0 1.8 3.48 88 58 A 6 ILE HA A 34 LYS HA 1.0 1.8 4.11 89 59 A 6 ILE HD1% A 6 ILE HB 1.0 1.8 3.60 90 60 A 7 VAL H A 6 ILE HB 1.0 1.8 5.60 91 61 A 6 ILE HB A 62 LYS HGy 1.0 1.8 4.40 92 61 A 6 ILE HB A 62 LYS HGx 1.0 1.8 4.40 93 62 A 6 ILE HB A 63 ASP HBx 1.0 1.8 5.04 94 63 A 6 ILE HB A 63 ASP HBy 1.0 1.8 5.04 95 64 A 6 ILE HD1% A 7 VAL H 1.0 1.8 5.54 96 65 A 6 ILE HD1% A 34 LYS HA 1.0 1.8 4.28 97 66 A 6 ILE HD1% A 34 LYS HBx 1.0 1.8 4.89 98 66 A 6 ILE HD1% A 34 LYS HBy 1.0 1.8 4.89 99 67 A 6 ILE HD1% A 34 LYS HEx 1.0 1.8 5.44 100 67 A 34 LYS HEy A 6 ILE HD1% 1.0 1.8 5.44 101 68 A 6 ILE HD1% A 34 LYS HGx 1.0 1.8 4.65 102 68 A 6 ILE HD1% A 34 LYS HGy 1.0 1.8 4.65 103 69 A 35 VAL H A 6 ILE HD1% 1.0 1.8 5.13 104 70 A 6 ILE HD1% A 63 ASP HBx 1.0 1.8 4.68 105 71 A 6 ILE HD1% A 63 ASP HBy 1.0 1.8 5.00 106 72 A 7 VAL H A 6 ILE HG2% 1.0 1.8 4.07 107 73 A 6 ILE HG2% A 8 ASN HA 1.0 1.8 5.04 108 74 A 6 ILE HG2% A 32 ASN HA 1.0 1.8 4.30 109 75 A 6 ILE HG2% A 32 ASN HBx 1.0 1.8 4.61 110 75 A 6 ILE HG2% A 32 ASN HBy 1.0 1.8 4.61 111 76 A 6 ILE HG2% A 32 ASN H 1.0 1.8 4.46 112 77 A 6 ILE HG2% A 33 THR H 1.0 1.8 4.89 113 78 A 34 LYS HA A 6 ILE HG2% 1.0 1.8 5.37 114 79 A 6 ILE HG2% A 63 ASP HBy 1.0 1.8 5.14 115 79 A 6 ILE HG2% A 63 ASP HBx 1.0 1.8 5.14 116 80 A 6 ILE H A 6 ILE HB 1.0 1.8 3.90 117 81 A 6 ILE H A 6 ILE HD1% 1.0 1.8 4.20 118 82 A 61 ILE HG2% A 6 ILE H 1.0 1.8 3.93 119 83 A 6 ILE H A 62 LYS H 1.0 1.8 4.11 120 84 A 6 ILE H A 63 ASP HBx 1.0 1.8 5.54 121 85 A 6 ILE H A 63 ASP HBy 1.0 1.8 5.54 122 86 A 7 VAL HA A 7 VAL HGx% 1.0 1.8 3.69 123 87 A 7 VAL HGy% A 7 VAL HA 1.0 1.8 3.67 124 88 A 7 VAL HA A 8 ASN H 1.0 1.8 3.42 125 89 A 7 VAL HA A 13 LEU HDy% 1.0 1.8 5.30 126 90 A 7 VAL HA A 61 ILE HA 1.0 1.8 4.18 127 91 A 7 VAL HA A 61 ILE HD1% 1.0 1.8 3.70 128 92 A 7 VAL HB A 31 GLY HAy 1.0 1.8 4.52 129 92 A 7 VAL HB A 31 GLY HAx 1.0 1.8 4.52 130 93 A 32 ASN H A 7 VAL HB 1.0 1.8 4.23 131 94 A 7 VAL HB A 33 THR HB 1.0 1.8 4.61 132 95 A 33 THR H A 7 VAL HB 1.0 1.8 3.66 133 96 A 8 ASN HA A 7 VAL HGx% 1.0 1.8 5.33 134 97 A 7 VAL HGx% A 8 ASN H 1.0 1.8 4.25 135 98 A 7 VAL HGx% A 9 VAL HGy% 1.0 1.8 4.30 136 99 A 7 VAL HGx% A 9 VAL H 1.0 1.8 4.21 137 100 A 7 VAL HGx% A 12 SER HA 1.0 1.8 6.05 138 101 A 7 VAL HGx% A 13 LEU HBy 1.0 1.8 3.69 139 101 A 7 VAL HGx% A 13 LEU HBx 1.0 1.8 3.69 140 102 A 7 VAL HGx% A 13 LEU H 1.0 1.8 4.49 141 103 A 7 VAL HGx% A 29 LEU HBy 1.0 1.8 4.63 142 103 A 7 VAL HGx% A 29 LEU HBx 1.0 1.8 4.63 143 104 A 7 VAL HGx% A 31 GLY HAy 1.0 1.8 3.63 144 104 A 7 VAL HGx% A 31 GLY HAx 1.0 1.8 3.63 145 105 A 7 VAL HGx% A 31 GLY H 1.0 1.8 5.16 146 106 A 32 ASN H A 7 VAL HGx% 1.0 1.8 4.52 147 107 A 7 VAL HGy% A 29 LEU HBy 1.0 1.8 3.75 148 107 A 7 VAL HGy% A 29 LEU HBx 1.0 1.8 3.75 149 108 A 7 VAL HGy% A 29 LEU HDx% 1.0 1.8 3.84 150 109 A 7 VAL HGy% A 32 ASN H 1.0 1.8 5.20 151 110 A 7 VAL HGy% A 33 THR HB 1.0 1.8 4.11 152 111 A 7 VAL HGy% A 33 THR HG2% 1.0 1.8 4.82 153 112 A 7 VAL HGy% A 33 THR H 1.0 1.8 4.29 154 113 A 7 VAL HGy% A 34 LYS HA 1.0 1.8 5.59 155 114 A 7 VAL HGy% A 61 ILE HA 1.0 1.8 5.21 156 115 A 7 VAL HGy% A 61 ILE HD1% 1.0 1.8 3.98 157 116 A 7 VAL H A 7 VAL HB 1.0 1.8 3.78 158 117 A 7 VAL H A 7 VAL HGx% 1.0 1.8 5.46 159 118 A 7 VAL HGy% A 7 VAL H 1.0 1.8 3.52 160 119 A 7 VAL H A 33 THR HB 1.0 1.8 5.25 161 120 A 7 VAL H A 33 THR H 1.0 1.8 4.87 162 121 A 7 VAL H A 34 LYS HA 1.0 1.8 5.38 163 122 A 8 ASN HA A 9 VAL H 1.0 1.8 3.43 164 123 A 8 ASN HBy A 8 ASN HD2x 1.0 1.8 3.54 165 123 A 8 ASN HBx A 8 ASN HD2x 1.0 1.8 3.54 166 123 A 8 ASN HD2y A 8 ASN HBy 1.0 1.8 3.54 167 123 A 8 ASN HBx A 8 ASN HD2y 1.0 1.8 3.54 168 124 A 60 TYR HA A 8 ASN HBy 1.0 1.8 5.27 169 124 A 8 ASN HBx A 60 TYR HA 1.0 1.8 5.27 170 125 A 8 ASN HBx A 62 LYS HBy 1.0 1.8 4.69 171 125 A 8 ASN HBy A 62 LYS HBy 1.0 1.8 4.69 172 125 A 62 LYS HBx A 8 ASN HBy 1.0 1.8 4.69 173 125 A 8 ASN HBx A 62 LYS HBx 1.0 1.8 4.69 174 126 A 8 ASN HBx A 62 LYS HDy 1.0 1.8 4.18 175 126 A 8 ASN HBy A 62 LYS HDy 1.0 1.8 4.18 176 126 A 62 LYS HDx A 8 ASN HBy 1.0 1.8 4.18 177 126 A 8 ASN HBx A 62 LYS HDx 1.0 1.8 4.18 178 127 A 8 ASN H A 9 VAL HGx% 1.0 1.8 5.27 179 128 A 8 ASN H A 9 VAL H 1.0 1.8 5.36 180 129 A 8 ASN H A 60 TYR HA 1.0 1.8 4.81 181 130 A 8 ASN H A 60 TYR HBx 1.0 1.8 5.42 182 130 A 8 ASN H A 60 TYR HBy 1.0 1.8 5.42 183 131 A 8 ASN H A 61 ILE HA 1.0 1.8 5.20 184 132 A 8 ASN H A 61 ILE HD1% 1.0 1.8 4.88 185 133 A 9 VAL HGx% A 9 VAL HA 1.0 1.8 3.97 186 134 A 9 VAL HA A 10 SER H 1.0 1.8 3.48 187 135 A 10 SER H A 9 VAL HB 1.0 1.8 4.03 188 136 A 9 VAL HB A 11 SER H 1.0 1.8 4.08 189 137 A 9 VAL HGx% A 10 SER H 1.0 1.8 4.91 190 138 A 9 VAL HGx% A 11 SER H 1.0 1.8 5.30 191 139 A 9 VAL HGx% A 12 SER H 1.0 1.8 5.42 192 140 A 9 VAL HGx% A 13 LEU HA 1.0 1.8 4.42 193 141 A 9 VAL HGx% A 13 LEU HBy 1.0 1.8 3.79 194 141 A 13 LEU HBx A 9 VAL HGx% 1.0 1.8 3.79 195 142 A 9 VAL HGx% A 13 LEU HDx% 1.0 1.8 4.36 196 143 A 9 VAL HGx% A 13 LEU HG 1.0 1.8 5.75 197 144 A 13 LEU H A 9 VAL HGx% 1.0 1.8 5.44 198 145 A 9 VAL HGx% A 31 GLY HAy 1.0 1.8 5.12 199 145 A 31 GLY HAx A 9 VAL HGx% 1.0 1.8 5.12 200 146 A 31 GLY H A 9 VAL HGx% 1.0 1.8 6.05 201 147 A 9 VAL HGx% A 60 TYR HBx 1.0 1.8 4.02 202 147 A 9 VAL HGx% A 60 TYR HBy 1.0 1.8 4.02 203 148 A 9 VAL HGx% A 60 TYR HD% 1.0 1.8 4.22 204 149 A 9 VAL HGy% A 10 SER H 1.0 1.8 4.54 205 150 A 9 VAL HGy% A 11 SER H 1.0 1.8 3.89 206 151 A 9 VAL HGy% A 12 SER HA 1.0 1.8 4.48 207 152 A 9 VAL HGy% A 12 SER H 1.0 1.8 4.61 208 153 A 9 VAL HGy% A 13 LEU HA 1.0 1.8 5.04 209 154 A 9 VAL HGy% A 13 LEU HBy 1.0 1.8 4.62 210 154 A 9 VAL HGy% A 13 LEU HBx 1.0 1.8 4.62 211 155 A 9 VAL HGy% A 13 LEU H 1.0 1.8 5.06 212 156 A 9 VAL HGy% A 31 GLY HAy 1.0 1.8 3.99 213 156 A 31 GLY HAx A 9 VAL HGy% 1.0 1.8 3.99 214 157 A 9 VAL HGy% A 31 GLY H 1.0 1.8 4.66 215 158 A 9 VAL H A 9 VAL HGx% 1.0 1.8 4.41 216 159 A 9 VAL HGy% A 9 VAL H 1.0 1.8 3.99 217 160 A 9 VAL H A 31 GLY HAy 1.0 1.8 4.61 218 160 A 31 GLY HAx A 9 VAL H 1.0 1.8 4.61 219 161 A 11 SER H A 10 SER HA 1.0 1.8 3.90 220 162 A 11 SER H A 10 SER HBy 1.0 1.8 4.27 221 162 A 11 SER H A 10 SER HBx 1.0 1.8 4.27 222 163 A 10 SER H A 10 SER HBy 1.0 1.8 3.79 223 163 A 10 SER H A 10 SER HBx 1.0 1.8 3.79 224 164 A 10 SER H A 11 SER H 1.0 1.8 3.96 225 165 A 12 SER H A 11 SER HA 1.0 1.8 3.90 226 166 A 11 SER HBx A 12 SER HBy 1.0 1.8 4.05 227 166 A 11 SER HBy A 12 SER HBy 1.0 1.8 4.05 228 166 A 12 SER HBx A 11 SER HBy 1.0 1.8 4.05 229 166 A 11 SER HBx A 12 SER HBx 1.0 1.8 4.05 230 167 A 12 SER H A 11 SER HBy 1.0 1.8 3.76 231 167 A 12 SER H A 11 SER HBx 1.0 1.8 3.76 232 168 A 11 SER H A 12 SER H 1.0 1.8 4.33 233 169 A 12 SER HA A 13 LEU H 1.0 1.8 3.48 234 170 A 12 SER HA A 30 SER HA 1.0 1.8 4.02 235 171 A 12 SER HA A 31 GLY H 1.0 1.8 4.65 236 172 A 13 LEU H A 12 SER HBy 1.0 1.8 3.79 237 172 A 13 LEU H A 12 SER HBx 1.0 1.8 3.79 238 173 A 30 SER HA A 12 SER HBy 1.0 1.8 4.40 239 173 A 12 SER HBx A 30 SER HA 1.0 1.8 4.40 240 174 A 13 LEU HA A 13 LEU HDx% 1.0 1.8 3.63 241 175 A 13 LEU HDy% A 13 LEU HA 1.0 1.8 5.28 242 176 A 13 LEU HA A 14 ASN H 1.0 1.8 3.42 243 177 A 13 LEU HDy% A 13 LEU HBy 1.0 1.8 3.34 244 177 A 13 LEU HDy% A 13 LEU HBx 1.0 1.8 3.34 245 178 A 56 VAL HGx% A 13 LEU HBy 1.0 1.8 4.50 246 178 A 13 LEU HBx A 56 VAL HGx% 1.0 1.8 4.50 247 179 A 13 LEU HDx% A 14 ASN H 1.0 1.8 4.20 248 180 A 13 LEU HDx% A 56 VAL HB 1.0 1.8 4.73 249 181 A 13 LEU HDx% A 57 ALA HB% 1.0 1.8 4.89 250 182 A 13 LEU HDx% A 57 ALA H 1.0 1.8 4.61 251 183 A 13 LEU HDx% A 60 TYR HBx 1.0 1.8 4.07 252 184 A 60 TYR HBy A 13 LEU HDx% 1.0 1.8 4.07 253 185 A 13 LEU HDx% A 60 TYR HD% 1.0 1.8 3.83 254 186 A 13 LEU HDx% A 60 TYR HE% 1.0 1.8 4.43 255 187 A 13 LEU HDx% A 60 TYR H 1.0 1.8 5.67 256 188 A 13 LEU HDy% A 29 LEU HDx% 1.0 1.8 4.10 257 189 A 13 LEU HDy% A 29 LEU H 1.0 1.8 4.97 258 190 A 13 LEU HDy% A 56 VAL HB 1.0 1.8 3.76 259 191 A 13 LEU HDy% A 56 VAL HGx% 1.0 1.8 3.78 260 192 A 13 LEU HDy% A 60 TYR HBx 1.0 1.8 4.09 261 192 A 13 LEU HDy% A 60 TYR HBy 1.0 1.8 4.09 262 193 A 13 LEU HDy% A 60 TYR HD% 1.0 1.8 5.31 263 194 A 13 LEU HDy% A 61 ILE HD1% 1.0 1.8 4.15 264 195 A 13 LEU HG A 14 ASN H 1.0 1.8 4.66 265 196 A 13 LEU HG A 56 VAL HGx% 1.0 1.8 3.94 266 197 A 13 LEU H A 13 LEU HBy 1.0 1.8 3.66 267 197 A 13 LEU HBx A 13 LEU H 1.0 1.8 3.66 268 198 A 13 LEU H A 13 LEU HDx% 1.0 1.8 5.98 269 199 A 13 LEU H A 29 LEU HBy 1.0 1.8 5.50 270 199 A 13 LEU H A 29 LEU HBx 1.0 1.8 5.50 271 200 A 13 LEU H A 29 LEU H 1.0 1.8 3.94 272 201 A 13 LEU H A 30 SER HA 1.0 1.8 4.86 273 202 A 14 ASN HA A 15 VAL HGy% 1.0 1.8 4.93 274 203 A 14 ASN HA A 15 VAL H 1.0 1.8 3.30 275 204 A 14 ASN HA A 25 VAL HGx% 1.0 1.8 4.32 276 205 A 14 ASN HA A 28 SER HA 1.0 1.8 3.99 277 206 A 14 ASN HA A 28 SER HBy 1.0 1.8 4.49 278 206 A 14 ASN HA A 28 SER HBx 1.0 1.8 4.49 279 207 A 29 LEU H A 14 ASN HA 1.0 1.8 4.87 280 208 A 14 ASN HBy A 14 ASN HD2x 1.0 1.8 3.51 281 208 A 14 ASN HBx A 14 ASN HD2x 1.0 1.8 3.51 282 208 A 14 ASN HD2y A 14 ASN HBy 1.0 1.8 3.51 283 208 A 14 ASN HBx A 14 ASN HD2y 1.0 1.8 3.51 284 209 A 15 VAL H A 14 ASN HBy 1.0 1.8 4.09 285 209 A 15 VAL H A 14 ASN HBx 1.0 1.8 4.09 286 210 A 25 VAL HGx% A 14 ASN HBy 1.0 1.8 4.09 287 210 A 25 VAL HGx% A 14 ASN HBx 1.0 1.8 4.09 288 211 A 25 VAL HGy% A 14 ASN HBy 1.0 1.8 4.11 289 211 A 14 ASN HBx A 25 VAL HGy% 1.0 1.8 4.11 290 212 A 25 VAL HGx% A 14 ASN HD2x 1.0 1.8 5.12 291 212 A 25 VAL HGx% A 14 ASN HD2y 1.0 1.8 5.12 292 213 A 25 VAL HGy% A 14 ASN HD2x 1.0 1.8 4.53 293 213 A 14 ASN HD2y A 25 VAL HGy% 1.0 1.8 4.53 294 214 A 14 ASN H A 14 ASN HBy 1.0 1.8 3.73 295 214 A 14 ASN H A 14 ASN HBx 1.0 1.8 3.73 296 215 A 15 VAL HA A 15 VAL HGx% 1.0 1.8 3.71 297 216 A 15 VAL HGy% A 15 VAL HA 1.0 1.8 3.93 298 217 A 15 VAL HA A 16 ARG H 1.0 1.8 3.42 299 218 A 15 VAL HA A 56 VAL HA 1.0 1.8 5.27 300 219 A 56 VAL HGx% A 15 VAL HA 1.0 1.8 3.59 301 220 A 15 VAL HB A 27 GLY HAx 1.0 1.8 4.46 302 220 A 15 VAL HB A 27 GLY HAy 1.0 1.8 4.46 303 221 A 15 VAL HB A 27 GLY H 1.0 1.8 3.40 304 222 A 28 SER HA A 15 VAL HB 1.0 1.8 5.64 305 223 A 15 VAL HB A 28 SER H 1.0 1.8 5.40 306 224 A 15 VAL HGx% A 16 ARG H 1.0 1.8 3.89 307 225 A 15 VAL HGx% A 26 ILE HD1% 1.0 1.8 4.30 308 226 A 15 VAL HGx% A 26 ILE HG1x 1.0 1.8 4.53 309 227 A 15 VAL HGx% A 26 ILE HG1y 1.0 1.8 4.53 310 228 A 15 VAL HGx% A 26 ILE H 1.0 1.8 5.09 311 229 A 15 VAL HGx% A 27 GLY H 1.0 1.8 5.03 312 230 A 15 VAL HGx% A 47 ILE HD1% 1.0 1.8 3.63 313 231 A 15 VAL HGx% A 49 TYR HBx 1.0 1.8 5.02 314 232 A 15 VAL HGx% A 49 TYR HBy 1.0 1.8 5.02 315 233 A 15 VAL HGx% A 49 TYR HD% 1.0 1.8 4.89 316 234 A 15 VAL HGx% A 49 TYR HE% 1.0 1.8 5.46 317 235 A 15 VAL HGx% A 54 GLY HAx 1.0 1.8 3.52 318 235 A 15 VAL HGx% A 54 GLY HAy 1.0 1.8 3.52 319 236 A 15 VAL HGx% A 54 GLY H 1.0 1.8 5.38 320 237 A 15 VAL HGx% A 55 TYR H 1.0 1.8 4.00 321 238 A 56 VAL HGx% A 15 VAL HGx% 1.0 1.8 3.88 322 239 A 15 VAL HGy% A 27 GLY HAx 1.0 1.8 5.87 323 239 A 15 VAL HGy% A 27 GLY HAy 1.0 1.8 5.87 324 240 A 15 VAL HGy% A 28 SER HA 1.0 1.8 4.05 325 241 A 15 VAL HGy% A 28 SER H 1.0 1.8 5.07 326 242 A 15 VAL HGy% A 29 LEU HBy 1.0 1.8 4.63 327 242 A 29 LEU HBx A 15 VAL HGy% 1.0 1.8 4.63 328 243 A 29 LEU HDx% A 15 VAL HGy% 1.0 1.8 3.31 329 244 A 15 VAL HGy% A 29 LEU HDy% 1.0 1.8 4.11 330 245 A 15 VAL HGy% A 29 LEU HG 1.0 1.8 3.56 331 246 A 29 LEU H A 15 VAL HGy% 1.0 1.8 4.55 332 247 A 15 VAL HGy% A 47 ILE HD1% 1.0 1.8 4.10 333 248 A 15 VAL HGy% A 49 TYR HD% 1.0 1.8 5.09 334 249 A 15 VAL HGy% A 49 TYR HE% 1.0 1.8 4.95 335 250 A 56 VAL HGx% A 15 VAL HGy% 1.0 1.8 3.82 336 251 A 15 VAL H A 15 VAL HB 1.0 1.8 3.54 337 252 A 15 VAL HGy% A 15 VAL H 1.0 1.8 3.63 338 253 A 15 VAL H A 25 VAL HGx% 1.0 1.8 3.88 339 254 A 15 VAL H A 27 GLY H 1.0 1.8 4.49 340 255 A 15 VAL H A 28 SER HA 1.0 1.8 4.28 341 256 A 16 ARG HA A 16 ARG HDy 1.0 1.8 5.08 342 256 A 16 ARG HA A 16 ARG HDx 1.0 1.8 5.08 343 257 A 16 ARG HA A 16 ARG HGy 1.0 1.8 3.97 344 257 A 16 ARG HA A 16 ARG HGx 1.0 1.8 3.97 345 258 A 16 ARG HA A 17 GLU H 1.0 1.8 3.42 346 259 A 16 ARG HA A 18 GLY H 1.0 1.8 5.42 347 260 A 16 ARG HA A 25 VAL HA 1.0 1.8 3.70 348 261 A 25 VAL HGx% A 16 ARG HA 1.0 1.8 5.25 349 262 A 25 VAL HGy% A 16 ARG HA 1.0 1.8 5.47 350 263 A 16 ARG HA A 26 ILE HG1x 1.0 1.8 5.01 351 263 A 16 ARG HA A 26 ILE HG1y 1.0 1.8 5.01 352 264 A 16 ARG HA A 26 ILE HG2% 1.0 1.8 5.26 353 265 A 26 ILE H A 16 ARG HA 1.0 1.8 4.80 354 266 A 27 GLY H A 16 ARG HA 1.0 1.8 5.78 355 267 A 16 ARG HBx A 55 TYR HBx 1.0 1.8 6.05 356 267 A 16 ARG HBy A 55 TYR HBx 1.0 1.8 6.05 357 268 A 16 ARG HBx A 55 TYR HBy 1.0 1.8 6.05 358 268 A 55 TYR HBy A 16 ARG HBy 1.0 1.8 6.05 359 269 A 17 GLU H A 16 ARG HBx 1.0 1.8 4.71 360 270 A 18 GLY H A 16 ARG HBx 1.0 1.8 4.59 361 271 A 17 GLU H A 16 ARG HBy 1.0 1.8 4.71 362 272 A 18 GLY H A 16 ARG HBy 1.0 1.8 4.80 363 273 A 21 THR HA A 16 ARG HDy 1.0 1.8 4.75 364 273 A 16 ARG HDx A 21 THR HA 1.0 1.8 4.75 365 274 A 23 SER H A 16 ARG HDy 1.0 1.8 4.25 366 274 A 16 ARG HDx A 23 SER H 1.0 1.8 4.25 367 275 A 25 VAL HGy% A 16 ARG HDy 1.0 1.8 4.80 368 275 A 25 VAL HGy% A 16 ARG HDx 1.0 1.8 4.80 369 276 A 44 PHE HE% A 16 ARG HDy 1.0 1.8 5.86 370 276 A 16 ARG HDx A 44 PHE HE% 1.0 1.8 5.86 371 277 A 21 THR HA A 16 ARG HE 1.0 1.8 5.80 372 278 A 17 GLU H A 16 ARG HGy 1.0 1.8 5.13 373 278 A 16 ARG HGx A 17 GLU H 1.0 1.8 5.13 374 279 A 25 VAL HA A 16 ARG HGy 1.0 1.8 4.73 375 279 A 16 ARG HGx A 25 VAL HA 1.0 1.8 4.73 376 280 A 25 VAL HGy% A 16 ARG HGy 1.0 1.8 4.41 377 280 A 25 VAL HGy% A 16 ARG HGx 1.0 1.8 4.41 378 281 A 16 ARG H A 16 ARG HGy 1.0 1.8 4.30 379 281 A 16 ARG H A 16 ARG HGx 1.0 1.8 4.30 380 282 A 16 ARG H A 55 TYR HBx 1.0 1.8 5.46 381 282 A 16 ARG H A 55 TYR HBy 1.0 1.8 5.46 382 283 A 16 ARG H A 55 TYR H 1.0 1.8 4.13 383 284 A 56 VAL HGx% A 16 ARG H 1.0 1.8 4.64 384 285 A 17 GLU HA A 17 GLU HGy 1.0 1.8 3.96 385 285 A 17 GLU HA A 17 GLU HGx 1.0 1.8 3.96 386 286 A 26 ILE HD1% A 17 GLU HA 1.0 1.8 4.30 387 287 A 17 GLU HA A 26 ILE HG1x 1.0 1.8 5.14 388 287 A 26 ILE HG1y A 17 GLU HA 1.0 1.8 5.14 389 288 A 26 ILE HG2% A 17 GLU HA 1.0 1.8 5.14 390 289 A 17 GLU HBx A 24 LYS HBx 1.0 1.8 4.38 391 289 A 17 GLU HBy A 24 LYS HBx 1.0 1.8 4.38 392 289 A 24 LYS HBy A 17 GLU HBy 1.0 1.8 4.38 393 289 A 17 GLU HBx A 24 LYS HBy 1.0 1.8 4.38 394 290 A 24 LYS H A 17 GLU HBy 1.0 1.8 5.13 395 290 A 17 GLU HBx A 24 LYS H 1.0 1.8 5.13 396 291 A 26 ILE HG2% A 17 GLU HBy 1.0 1.8 4.30 397 291 A 26 ILE HG2% A 17 GLU HBx 1.0 1.8 4.30 398 292 A 18 GLY H A 17 GLU HGy 1.0 1.8 4.79 399 292 A 18 GLY H A 17 GLU HGx 1.0 1.8 4.79 400 293 A 17 GLU HGx A 24 LYS HBx 1.0 1.8 4.58 401 293 A 24 LYS HBy A 17 GLU HGy 1.0 1.8 4.58 402 293 A 17 GLU HGx A 24 LYS HBy 1.0 1.8 4.58 403 293 A 17 GLU HGy A 24 LYS HBx 1.0 1.8 4.58 404 294 A 17 GLU HGx A 24 LYS HDx 1.0 1.8 5.30 405 294 A 17 GLU HGy A 24 LYS HDx 1.0 1.8 5.30 406 294 A 24 LYS HDy A 17 GLU HGy 1.0 1.8 5.30 407 294 A 17 GLU HGx A 24 LYS HDy 1.0 1.8 5.30 408 295 A 26 ILE HG2% A 17 GLU HGy 1.0 1.8 4.80 409 295 A 26 ILE HG2% A 17 GLU HGx 1.0 1.8 4.80 410 296 A 17 GLU H A 17 GLU HBy 1.0 1.8 3.54 411 296 A 17 GLU H A 17 GLU HBx 1.0 1.8 3.54 412 297 A 17 GLU H A 17 GLU HGy 1.0 1.8 4.33 413 297 A 17 GLU H A 17 GLU HGx 1.0 1.8 4.33 414 298 A 17 GLU H A 18 GLY H 1.0 1.8 4.05 415 299 A 17 GLU H A 26 ILE HG1x 1.0 1.8 5.18 416 299 A 17 GLU H A 26 ILE HG1y 1.0 1.8 5.18 417 300 A 17 GLU H A 26 ILE HG2% 1.0 1.8 5.18 418 301 A 55 TYR HD% A 18 GLY HAx 1.0 1.8 4.98 419 301 A 18 GLY HAy A 55 TYR HD% 1.0 1.8 4.98 420 302 A 55 TYR HE% A 18 GLY HAx 1.0 1.8 4.21 421 302 A 18 GLY HAy A 55 TYR HE% 1.0 1.8 4.21 422 303 A 19 ALA H A 18 GLY HAx 1.0 1.8 3.66 423 304 A 18 GLY HAy A 19 ALA H 1.0 1.8 3.66 424 305 A 18 GLY H A 23 SER HBx 1.0 1.8 4.20 425 306 A 18 GLY H A 23 SER HBy 1.0 1.8 4.80 426 307 A 18 GLY H A 55 TYR HD% 1.0 1.8 5.01 427 308 A 19 ALA HA A 20 SER H 1.0 1.8 3.60 428 309 A 19 ALA HA A 44 PHE HBx 1.0 1.8 5.18 429 309 A 19 ALA HA A 44 PHE HBy 1.0 1.8 5.18 430 310 A 19 ALA HA A 44 PHE HD% 1.0 1.8 5.22 431 311 A 19 ALA HA A 55 TYR HBx 1.0 1.8 5.30 432 311 A 55 TYR HBy A 19 ALA HA 1.0 1.8 5.30 433 312 A 55 TYR HD% A 19 ALA HA 1.0 1.8 5.20 434 313 A 20 SER H A 19 ALA HB% 1.0 1.8 4.47 435 314 A 19 ALA HB% A 41 GLU HBy 1.0 1.8 4.30 436 314 A 19 ALA HB% A 41 GLU HBx 1.0 1.8 4.30 437 315 A 19 ALA HB% A 41 GLU HGx 1.0 1.8 4.04 438 315 A 19 ALA HB% A 41 GLU HGy 1.0 1.8 4.04 439 316 A 19 ALA HB% A 44 PHE HBx 1.0 1.8 4.58 440 317 A 44 PHE HBy A 19 ALA HB% 1.0 1.8 4.58 441 318 A 44 PHE HD% A 19 ALA HB% 1.0 1.8 4.36 442 319 A 19 ALA HB% A 44 PHE H 1.0 1.8 5.18 443 320 A 55 TYR HD% A 19 ALA HB% 1.0 1.8 4.42 444 321 A 55 TYR HE% A 19 ALA HB% 1.0 1.8 4.43 445 322 A 19 ALA H A 19 ALA HB% 1.0 1.8 3.30 446 323 A 20 SER HA A 21 THR H 1.0 1.8 3.34 447 324 A 44 PHE HE% A 20 SER HA 1.0 1.8 4.82 448 325 A 20 SER HA A 44 PHE HZ 1.0 1.8 4.99 449 326 A 22 SER H A 20 SER HBy 1.0 1.8 4.60 450 326 A 20 SER HBx A 22 SER H 1.0 1.8 4.60 451 327 A 20 SER HBx A 23 SER HBy 1.0 1.8 3.95 452 327 A 20 SER HBy A 23 SER HBy 1.0 1.8 3.95 453 327 A 23 SER HBx A 20 SER HBy 1.0 1.8 3.95 454 327 A 20 SER HBx A 23 SER HBx 1.0 1.8 3.95 455 328 A 23 SER H A 20 SER HBy 1.0 1.8 4.31 456 328 A 23 SER H A 20 SER HBx 1.0 1.8 4.31 457 329 A 21 THR H A 20 SER HBx 1.0 1.8 4.61 458 330 A 21 THR H A 20 SER HBy 1.0 1.8 4.61 459 331 A 20 SER H A 20 SER HBy 1.0 1.8 3.76 460 331 A 20 SER H A 20 SER HBx 1.0 1.8 3.76 461 332 A 21 THR HA A 21 THR HG2% 1.0 1.8 3.75 462 333 A 21 THR HA A 23 SER H 1.0 1.8 4.84 463 334 A 21 THR HA A 44 PHE HE% 1.0 1.8 6.00 464 335 A 21 THR HA A 44 PHE HZ 1.0 1.8 4.79 465 336 A 22 SER H A 21 THR HG2% 1.0 1.8 5.42 466 337 A 44 PHE HE% A 21 THR HG2% 1.0 1.8 4.65 467 338 A 44 PHE HZ A 21 THR HG2% 1.0 1.8 4.08 468 339 A 21 THR H A 21 THR HG2% 1.0 1.8 3.92 469 340 A 21 THR H A 22 SER H 1.0 1.8 4.14 470 341 A 23 SER H A 21 THR H 1.0 1.8 5.03 471 342 A 44 PHE HE% A 21 THR H 1.0 1.8 5.70 472 343 A 21 THR H A 44 PHE HZ 1.0 1.8 5.44 473 344 A 23 SER H A 22 SER H 1.0 1.8 3.72 474 345 A 24 LYS H A 23 SER HA 1.0 1.8 3.50 475 346 A 24 LYS H A 23 SER HBy 1.0 1.8 3.65 476 346 A 24 LYS H A 23 SER HBx 1.0 1.8 3.65 477 347 A 23 SER H A 23 SER HBx 1.0 1.8 4.03 478 348 A 23 SER H A 23 SER HBy 1.0 1.8 4.03 479 349 A 24 LYS HA A 25 VAL HB 1.0 1.8 5.44 480 350 A 25 VAL HGy% A 24 LYS HA 1.0 1.8 4.94 481 351 A 24 LYS HA A 25 VAL H 1.0 1.8 3.30 482 352 A 25 VAL H A 24 LYS HBx 1.0 1.8 4.82 483 353 A 24 LYS HBy A 25 VAL H 1.0 1.8 4.82 484 354 A 26 ILE HG2% A 24 LYS HDx 1.0 1.8 4.77 485 354 A 26 ILE HG2% A 24 LYS HDy 1.0 1.8 4.77 486 355 A 26 ILE HG2% A 24 LYS HEx 1.0 1.8 4.74 487 355 A 26 ILE HG2% A 24 LYS HEy 1.0 1.8 4.74 488 356 A 25 VAL H A 24 LYS HGy 1.0 1.8 4.23 489 356 A 25 VAL H A 24 LYS HGx 1.0 1.8 4.23 490 357 A 24 LYS H A 24 LYS HBx 1.0 1.8 3.81 491 358 A 24 LYS HBy A 24 LYS H 1.0 1.8 3.81 492 359 A 24 LYS H A 24 LYS HGy 1.0 1.8 4.63 493 359 A 24 LYS H A 24 LYS HGx 1.0 1.8 4.63 494 360 A 25 VAL HGx% A 25 VAL HA 1.0 1.8 3.72 495 361 A 25 VAL HGy% A 25 VAL HA 1.0 1.8 3.79 496 362 A 26 ILE H A 25 VAL HA 1.0 1.8 3.30 497 363 A 27 GLY H A 25 VAL HA 1.0 1.8 4.52 498 364 A 25 VAL HGx% A 26 ILE H 1.0 1.8 3.71 499 365 A 25 VAL HGx% A 27 GLY H 1.0 1.8 3.55 500 366 A 25 VAL HB A 25 VAL H 1.0 1.8 3.34 501 367 A 25 VAL HGy% A 25 VAL H 1.0 1.8 3.44 502 368 A 26 ILE HD1% A 26 ILE HA 1.0 1.8 5.24 503 369 A 26 ILE HG2% A 26 ILE HA 1.0 1.8 3.56 504 370 A 26 ILE HD1% A 26 ILE HB 1.0 1.8 3.59 505 371 A 27 GLY H A 26 ILE HB 1.0 1.8 5.47 506 372 A 26 ILE HD1% A 49 TYR HD% 1.0 1.8 4.19 507 373 A 26 ILE HD1% A 49 TYR HE% 1.0 1.8 4.91 508 374 A 26 ILE HD1% A 54 GLY HAx 1.0 1.8 4.30 509 375 A 26 ILE HD1% A 54 GLY HAy 1.0 1.8 4.30 510 376 A 49 TYR HE% A 26 ILE HG1x 1.0 1.8 5.62 511 376 A 49 TYR HE% A 26 ILE HG1y 1.0 1.8 5.62 512 377 A 27 GLY H A 26 ILE HG1x 1.0 1.8 4.75 513 378 A 27 GLY H A 26 ILE HG1y 1.0 1.8 4.75 514 379 A 26 ILE HD1% A 26 ILE HG2% 1.0 1.8 3.73 515 380 A 26 ILE HG2% A 26 ILE HG1x 1.0 1.8 3.55 516 380 A 26 ILE HG1y A 26 ILE HG2% 1.0 1.8 3.55 517 381 A 26 ILE HD1% A 26 ILE H 1.0 1.8 4.73 518 382 A 26 ILE H A 26 ILE HG1x 1.0 1.8 4.28 519 383 A 26 ILE H A 26 ILE HG1y 1.0 1.8 4.28 520 384 A 26 ILE H A 26 ILE HG2% 1.0 1.8 3.94 521 385 A 27 GLY H A 26 ILE H 1.0 1.8 3.42 522 386 A 27 GLY HAy A 28 SER HBy 1.0 1.8 4.63 523 386 A 27 GLY HAx A 28 SER HBy 1.0 1.8 4.63 524 386 A 28 SER HBx A 27 GLY HAx 1.0 1.8 4.63 525 386 A 28 SER HBx A 27 GLY HAy 1.0 1.8 4.63 526 387 A 49 TYR HE% A 27 GLY HAx 1.0 1.8 4.83 527 387 A 27 GLY HAy A 49 TYR HE% 1.0 1.8 4.83 528 388 A 28 SER H A 27 GLY HAx 1.0 1.8 3.76 529 389 A 27 GLY HAy A 28 SER H 1.0 1.8 3.76 530 390 A 29 LEU H A 28 SER HA 1.0 1.8 3.37 531 391 A 29 LEU H A 28 SER HBy 1.0 1.8 3.92 532 391 A 29 LEU H A 28 SER HBx 1.0 1.8 3.92 533 392 A 28 SER H A 49 TYR HE% 1.0 1.8 5.51 534 393 A 29 LEU HDy% A 29 LEU HA 1.0 1.8 3.47 535 394 A 29 LEU HA A 30 SER H 1.0 1.8 3.30 536 395 A 30 SER H A 29 LEU HBy 1.0 1.8 3.90 537 395 A 29 LEU HBx A 30 SER H 1.0 1.8 3.90 538 396 A 29 LEU HBx A 29 LEU HDx% 1.0 1.8 3.94 539 397 A 29 LEU HDx% A 29 LEU HBy 1.0 1.8 3.94 540 398 A 29 LEU HDx% A 33 THR HG2% 1.0 1.8 4.80 541 399 A 29 LEU HDx% A 35 VAL HGx% 1.0 1.8 3.78 542 400 A 29 LEU HDx% A 47 ILE HD1% 1.0 1.8 4.27 543 401 A 29 LEU HDx% A 49 TYR HE% 1.0 1.8 4.40 544 402 A 29 LEU HDx% A 56 VAL HGx% 1.0 1.8 4.16 545 403 A 29 LEU HDy% A 30 SER H 1.0 1.8 4.47 546 404 A 33 THR HG2% A 29 LEU HDy% 1.0 1.8 3.83 547 405 A 47 ILE HD1% A 29 LEU HDy% 1.0 1.8 4.93 548 406 A 49 TYR HD% A 29 LEU HDy% 1.0 1.8 4.50 549 407 A 49 TYR HE% A 29 LEU HDy% 1.0 1.8 3.70 550 408 A 49 TYR HE% A 29 LEU HG 1.0 1.8 4.60 551 409 A 29 LEU H A 29 LEU HBy 1.0 1.8 3.71 552 409 A 29 LEU HBx A 29 LEU H 1.0 1.8 3.71 553 410 A 29 LEU HDx% A 29 LEU H 1.0 1.8 5.05 554 411 A 29 LEU H A 29 LEU HDy% 1.0 1.8 5.14 555 412 A 29 LEU H A 29 LEU HG 1.0 1.8 4.76 556 413 A 30 SER HA A 31 GLY HAy 1.0 1.8 4.82 557 413 A 31 GLY HAx A 30 SER HA 1.0 1.8 4.82 558 414 A 31 GLY H A 30 SER HA 1.0 1.8 3.43 559 415 A 33 THR HG2% A 30 SER HBy 1.0 1.8 4.80 560 415 A 33 THR HG2% A 30 SER HBx 1.0 1.8 4.80 561 416 A 31 GLY H A 30 SER HBx 1.0 1.8 4.52 562 417 A 31 GLY H A 30 SER HBy 1.0 1.8 4.52 563 418 A 30 SER H A 30 SER HBy 1.0 1.8 3.63 564 418 A 30 SER H A 30 SER HBx 1.0 1.8 3.63 565 419 A 32 ASN H A 31 GLY HAy 1.0 1.8 3.30 566 419 A 32 ASN H A 31 GLY HAx 1.0 1.8 3.30 567 420 A 33 THR H A 31 GLY HAy 1.0 1.8 5.12 568 420 A 33 THR H A 31 GLY HAx 1.0 1.8 5.12 569 421 A 33 THR H A 32 ASN HBx 1.0 1.8 5.95 570 422 A 32 ASN HBy A 33 THR H 1.0 1.8 5.95 571 423 A 32 ASN H A 33 THR H 1.0 1.8 4.28 572 424 A 33 THR HG2% A 33 THR HA 1.0 1.8 3.60 573 425 A 33 THR HA A 34 LYS HBx 1.0 1.8 4.88 574 425 A 34 LYS HBy A 33 THR HA 1.0 1.8 4.88 575 426 A 33 THR HA A 34 LYS H 1.0 1.8 3.30 576 427 A 33 THR HB A 34 LYS H 1.0 1.8 4.85 577 428 A 33 THR HG2% A 34 LYS H 1.0 1.8 3.97 578 429 A 33 THR HG2% A 35 VAL HGx% 1.0 1.8 3.71 579 430 A 33 THR H A 33 THR HB 1.0 1.8 3.83 580 431 A 33 THR H A 33 THR HG2% 1.0 1.8 4.63 581 432 A 34 LYS HA A 34 LYS HDx 1.0 1.8 5.44 582 432 A 34 LYS HDy A 34 LYS HA 1.0 1.8 5.44 583 433 A 34 LYS HA A 34 LYS HGx 1.0 1.8 3.86 584 433 A 34 LYS HA A 34 LYS HGy 1.0 1.8 3.86 585 434 A 34 LYS HA A 35 VAL HGx% 1.0 1.8 5.64 586 435 A 35 VAL HGy% A 34 LYS HA 1.0 1.8 5.08 587 436 A 35 VAL H A 34 LYS HA 1.0 1.8 3.30 588 437 A 34 LYS HBx A 34 LYS HEx 1.0 1.8 5.04 589 437 A 34 LYS HEy A 34 LYS HBx 1.0 1.8 5.04 590 437 A 34 LYS HEy A 34 LYS HBy 1.0 1.8 5.04 591 437 A 34 LYS HBy A 34 LYS HEx 1.0 1.8 5.04 592 438 A 35 VAL H A 34 LYS HBx 1.0 1.8 4.36 593 438 A 35 VAL H A 34 LYS HBy 1.0 1.8 4.36 594 439 A 35 VAL H A 34 LYS HGx 1.0 1.8 4.19 595 439 A 35 VAL H A 34 LYS HGy 1.0 1.8 4.19 596 440 A 34 LYS H A 34 LYS HBx 1.0 1.8 3.66 597 440 A 34 LYS HBy A 34 LYS H 1.0 1.8 3.66 598 441 A 34 LYS H A 34 LYS HGx 1.0 1.8 4.86 599 441 A 34 LYS HGy A 34 LYS H 1.0 1.8 4.86 600 442 A 35 VAL HGx% A 34 LYS H 1.0 1.8 5.53 601 443 A 35 VAL HGx% A 35 VAL HA 1.0 1.8 3.53 602 444 A 35 VAL HA A 36 THR H 1.0 1.8 3.33 603 445 A 36 THR H A 35 VAL HB 1.0 1.8 3.72 604 446 A 47 ILE HD1% A 35 VAL HB 1.0 1.8 4.91 605 447 A 35 VAL HB A 47 ILE HG2% 1.0 1.8 4.31 606 448 A 35 VAL HGx% A 36 THR H 1.0 1.8 4.58 607 449 A 47 ILE HD1% A 35 VAL HGx% 1.0 1.8 4.08 608 450 A 35 VAL HGy% A 36 THR H 1.0 1.8 5.02 609 451 A 37 ILE HD1% A 35 VAL HGy% 1.0 1.8 4.07 610 452 A 35 VAL HGy% A 37 ILE HG1x 1.0 1.8 4.22 611 452 A 35 VAL HGy% A 37 ILE HG1y 1.0 1.8 4.22 612 453 A 35 VAL HGy% A 47 ILE HD1% 1.0 1.8 5.14 613 454 A 35 VAL H A 35 VAL HGx% 1.0 1.8 4.15 614 455 A 35 VAL HGy% A 35 VAL H 1.0 1.8 3.54 615 456 A 36 THR HG2% A 36 THR HA 1.0 1.8 3.71 616 457 A 36 THR HA A 37 ILE HG1x 1.0 1.8 4.99 617 457 A 36 THR HA A 37 ILE HG1y 1.0 1.8 4.99 618 458 A 37 ILE H A 36 THR HA 1.0 1.8 3.49 619 459 A 37 ILE H A 36 THR HB 1.0 1.8 5.63 620 460 A 36 THR HB A 48 GLU H 1.0 1.8 4.83 621 461 A 36 THR HG2% A 37 ILE H 1.0 1.8 4.09 622 462 A 36 THR HG2% A 48 GLU HBy 1.0 1.8 5.25 623 462 A 36 THR HG2% A 48 GLU HBx 1.0 1.8 5.25 624 463 A 36 THR H A 36 THR HB 1.0 1.8 3.84 625 464 A 36 THR HG2% A 36 THR H 1.0 1.8 4.89 626 465 A 37 ILE HD1% A 37 ILE HA 1.0 1.8 5.38 627 466 A 37 ILE HA A 38 VAL H 1.0 1.8 3.31 628 467 A 37 ILE HA A 39 GLY H 1.0 1.8 5.08 629 468 A 37 ILE HA A 47 ILE HA 1.0 1.8 3.90 630 469 A 47 ILE HG2% A 37 ILE HA 1.0 1.8 3.81 631 470 A 37 ILE HB A 37 ILE HD1% 1.0 1.8 3.50 632 471 A 37 ILE HD1% A 45 TYR HBx 1.0 1.8 5.15 633 471 A 37 ILE HD1% A 45 TYR HBy 1.0 1.8 5.15 634 472 A 37 ILE HD1% A 45 TYR HD% 1.0 1.8 4.86 635 473 A 37 ILE HD1% A 45 TYR HE% 1.0 1.8 4.87 636 474 A 37 ILE HD1% A 61 ILE HG2% 1.0 1.8 3.58 637 475 A 37 ILE HD1% A 64 ILE HD1% 1.0 1.8 3.97 638 476 A 37 ILE HD1% A 64 ILE HG1x 1.0 1.8 4.86 639 476 A 37 ILE HD1% A 64 ILE HG1y 1.0 1.8 4.86 640 477 A 37 ILE HD1% A 64 ILE HG2% 1.0 1.8 3.81 641 478 A 37 ILE HG1x A 45 TYR HBx 1.0 1.8 4.75 642 478 A 37 ILE HG1y A 45 TYR HBx 1.0 1.8 4.75 643 478 A 45 TYR HBy A 37 ILE HG1x 1.0 1.8 4.75 644 478 A 37 ILE HG1y A 45 TYR HBy 1.0 1.8 4.75 645 479 A 47 ILE HG2% A 37 ILE HG1x 1.0 1.8 4.63 646 480 A 61 ILE HG2% A 37 ILE HG1x 1.0 1.8 5.19 647 481 A 47 ILE HG2% A 37 ILE HG1y 1.0 1.8 5.00 648 482 A 61 ILE HG2% A 37 ILE HG1y 1.0 1.8 5.19 649 483 A 37 ILE HD1% A 37 ILE HG2% 1.0 1.8 3.60 650 484 A 37 ILE HG2% A 37 ILE HG1x 1.0 1.8 3.84 651 484 A 37 ILE HG2% A 37 ILE HG1y 1.0 1.8 3.84 652 485 A 37 ILE HG2% A 38 VAL H 1.0 1.8 4.13 653 486 A 37 ILE HG2% A 39 GLY H 1.0 1.8 3.66 654 487 A 37 ILE HG2% A 40 GLU HBy 1.0 1.8 5.06 655 487 A 37 ILE HG2% A 40 GLU HBx 1.0 1.8 5.06 656 488 A 37 ILE HG2% A 45 TYR HA 1.0 1.8 4.98 657 489 A 37 ILE HG2% A 45 TYR HBx 1.0 1.8 3.70 658 489 A 37 ILE HG2% A 45 TYR HBy 1.0 1.8 3.70 659 490 A 37 ILE HG2% A 45 TYR HD% 1.0 1.8 3.89 660 491 A 37 ILE HG2% A 45 TYR HE% 1.0 1.8 5.01 661 492 A 37 ILE HG2% A 46 LYS H 1.0 1.8 4.50 662 493 A 37 ILE HB A 37 ILE H 1.0 1.8 3.50 663 494 A 37 ILE HD1% A 37 ILE H 1.0 1.8 5.12 664 495 A 37 ILE H A 37 ILE HG1x 1.0 1.8 4.70 665 496 A 37 ILE H A 37 ILE HG1y 1.0 1.8 4.70 666 497 A 37 ILE H A 47 ILE HG2% 1.0 1.8 5.71 667 498 A 38 VAL HA A 38 VAL HGx% 1.0 1.8 3.62 668 499 A 38 VAL HA A 38 VAL HGy% 1.0 1.8 4.40 669 500 A 47 ILE HA A 38 VAL HGx% 1.0 1.8 5.09 670 501 A 38 VAL HGx% A 48 GLU HGy 1.0 1.8 5.06 671 501 A 38 VAL HGx% A 48 GLU HGx 1.0 1.8 5.06 672 502 A 48 GLU H A 38 VAL HGx% 1.0 1.8 4.98 673 503 A 39 GLY H A 38 VAL HGy% 1.0 1.8 5.00 674 504 A 38 VAL HGy% A 46 LYS HBx 1.0 1.8 4.93 675 505 A 38 VAL HGy% A 46 LYS HBy 1.0 1.8 4.93 676 506 A 38 VAL HGy% A 46 LYS HDy 1.0 1.8 4.80 677 506 A 38 VAL HGy% A 46 LYS HDx 1.0 1.8 4.80 678 507 A 47 ILE HA A 38 VAL HGy% 1.0 1.8 4.48 679 508 A 38 VAL HGy% A 48 GLU HGy 1.0 1.8 5.00 680 508 A 38 VAL HGy% A 48 GLU HGx 1.0 1.8 5.00 681 509 A 48 GLU H A 38 VAL HGy% 1.0 1.8 4.93 682 510 A 38 VAL H A 38 VAL HGx% 1.0 1.8 4.14 683 511 A 38 VAL H A 38 VAL HGy% 1.0 1.8 3.58 684 512 A 38 VAL H A 39 GLY H 1.0 1.8 3.73 685 513 A 38 VAL H A 46 LYS HBx 1.0 1.8 5.04 686 513 A 38 VAL H A 46 LYS HBy 1.0 1.8 5.04 687 514 A 38 VAL H A 46 LYS H 1.0 1.8 4.99 688 515 A 38 VAL H A 47 ILE HA 1.0 1.8 4.80 689 516 A 47 ILE HG2% A 38 VAL H 1.0 1.8 4.74 690 517 A 39 GLY HAx A 46 LYS HBx 1.0 1.8 4.51 691 517 A 46 LYS HBy A 39 GLY HAx 1.0 1.8 4.51 692 517 A 46 LYS HBy A 39 GLY HAy 1.0 1.8 4.51 693 517 A 39 GLY HAy A 46 LYS HBx 1.0 1.8 4.51 694 518 A 40 GLU H A 39 GLY HAx 1.0 1.8 3.89 695 519 A 39 GLY HAy A 40 GLU H 1.0 1.8 3.89 696 520 A 39 GLY H A 46 LYS HDy 1.0 1.8 5.87 697 520 A 39 GLY H A 46 LYS HDx 1.0 1.8 5.87 698 521 A 39 GLY H A 46 LYS H 1.0 1.8 4.87 699 522 A 40 GLU HA A 41 GLU H 1.0 1.8 3.30 700 523 A 45 TYR HD% A 40 GLU HA 1.0 1.8 4.77 701 524 A 46 LYS H A 40 GLU HA 1.0 1.8 3.81 702 525 A 45 TYR HA A 40 GLU HBy 1.0 1.8 4.96 703 525 A 40 GLU HBx A 45 TYR HA 1.0 1.8 4.96 704 526 A 45 TYR HD% A 40 GLU HBy 1.0 1.8 3.86 705 526 A 45 TYR HD% A 40 GLU HBx 1.0 1.8 3.86 706 527 A 46 LYS H A 40 GLU HBy 1.0 1.8 5.53 707 527 A 40 GLU HBx A 46 LYS H 1.0 1.8 5.53 708 528 A 40 GLU H A 40 GLU HGy 1.0 1.8 4.06 709 528 A 40 GLU H A 40 GLU HGx 1.0 1.8 4.06 710 529 A 41 GLU HA A 41 GLU HGx 1.0 1.8 3.99 711 529 A 41 GLU HGy A 41 GLU HA 1.0 1.8 3.99 712 530 A 41 GLU HA A 42 GLY HAy 1.0 1.8 4.55 713 530 A 41 GLU HA A 42 GLY HAx 1.0 1.8 4.55 714 531 A 41 GLU HA A 42 GLY H 1.0 1.8 3.30 715 532 A 41 GLU HBx A 42 GLY H 1.0 1.8 5.17 716 533 A 55 TYR HE% A 41 GLU HBx 1.0 1.8 4.80 717 534 A 42 GLY H A 41 GLU HBy 1.0 1.8 5.17 718 535 A 55 TYR HE% A 41 GLU HBy 1.0 1.8 4.38 719 536 A 42 GLY H A 41 GLU HGx 1.0 1.8 4.51 720 536 A 41 GLU HGy A 42 GLY H 1.0 1.8 4.51 721 537 A 55 TYR HE% A 41 GLU HGx 1.0 1.8 4.63 722 537 A 55 TYR HE% A 41 GLU HGy 1.0 1.8 4.63 723 538 A 41 GLU H A 41 GLU HBy 1.0 1.8 3.81 724 538 A 41 GLU HBx A 41 GLU H 1.0 1.8 3.81 725 539 A 43 ALA HB% A 42 GLY HAy 1.0 1.8 4.77 726 539 A 42 GLY HAx A 43 ALA HB% 1.0 1.8 4.77 727 540 A 43 ALA H A 42 GLY HAy 1.0 1.8 3.30 728 540 A 42 GLY HAx A 43 ALA H 1.0 1.8 3.30 729 541 A 44 PHE H A 42 GLY HAy 1.0 1.8 5.38 730 541 A 44 PHE H A 42 GLY HAx 1.0 1.8 5.38 731 542 A 43 ALA HA A 58 LYS HDx 1.0 1.8 5.25 732 542 A 43 ALA HA A 58 LYS HDy 1.0 1.8 5.25 733 543 A 43 ALA HA A 58 LYS HEx 1.0 1.8 4.64 734 543 A 43 ALA HA A 58 LYS HEy 1.0 1.8 4.64 735 544 A 43 ALA HA A 58 LYS HEx 1.0 1.8 5.35 736 545 A 43 ALA HA A 58 LYS HEy 1.0 1.8 5.35 737 546 A 44 PHE HD% A 43 ALA HB% 1.0 1.8 4.92 738 547 A 44 PHE HE% A 43 ALA HB% 1.0 1.8 4.81 739 548 A 44 PHE H A 43 ALA HB% 1.0 1.8 4.61 740 549 A 43 ALA HB% A 57 ALA HA 1.0 1.8 5.60 741 550 A 43 ALA HB% A 58 LYS HEx 1.0 1.8 5.47 742 551 A 43 ALA HB% A 58 LYS HEy 1.0 1.8 5.47 743 552 A 43 ALA HB% A 43 ALA H 1.0 1.8 3.47 744 553 A 44 PHE HD% A 43 ALA H 1.0 1.8 4.38 745 554 A 44 PHE HE% A 43 ALA H 1.0 1.8 6.00 746 555 A 44 PHE H A 43 ALA H 1.0 1.8 4.11 747 556 A 44 PHE HD% A 44 PHE HA 1.0 1.8 4.99 748 557 A 44 PHE HA A 45 TYR H 1.0 1.8 3.44 749 558 A 57 ALA HA A 44 PHE HA 1.0 1.8 3.62 750 559 A 57 ALA HB% A 44 PHE HA 1.0 1.8 5.37 751 560 A 44 PHE HA A 58 LYS HGy 1.0 1.8 4.80 752 560 A 44 PHE HA A 58 LYS HGx 1.0 1.8 4.80 753 561 A 44 PHE HA A 58 LYS H 1.0 1.8 3.89 754 562 A 56 VAL HGy% A 44 PHE HBx 1.0 1.8 5.43 755 562 A 44 PHE HBy A 56 VAL HGy% 1.0 1.8 5.43 756 563 A 56 VAL H A 44 PHE HBx 1.0 1.8 4.70 757 563 A 44 PHE HBy A 56 VAL H 1.0 1.8 4.70 758 564 A 45 TYR H A 44 PHE HBx 1.0 1.8 4.86 759 565 A 44 PHE HBx A 55 TYR HBx 1.0 1.8 5.49 760 566 A 55 TYR HBy A 44 PHE HBx 1.0 1.8 5.49 761 567 A 55 TYR HD% A 44 PHE HBx 1.0 1.8 4.64 762 568 A 44 PHE HBy A 45 TYR H 1.0 1.8 4.86 763 569 A 44 PHE HBy A 55 TYR HBx 1.0 1.8 5.60 764 570 A 55 TYR HBy A 44 PHE HBy 1.0 1.8 5.60 765 571 A 55 TYR HD% A 44 PHE HBy 1.0 1.8 4.64 766 572 A 44 PHE HD% A 55 TYR HBx 1.0 1.8 4.65 767 572 A 55 TYR HBy A 44 PHE HD% 1.0 1.8 4.65 768 573 A 56 VAL HA A 44 PHE HD% 1.0 1.8 5.49 769 574 A 44 PHE HD% A 56 VAL H 1.0 1.8 4.94 770 575 A 44 PHE HD% A 57 ALA HA 1.0 1.8 4.58 771 576 A 57 ALA H A 44 PHE HD% 1.0 1.8 5.03 772 577 A 56 VAL HA A 44 PHE HE% 1.0 1.8 5.41 773 578 A 57 ALA HB% A 44 PHE HE% 1.0 1.8 5.17 774 579 A 57 ALA H A 44 PHE HE% 1.0 1.8 5.39 775 580 A 44 PHE H A 44 PHE HBx 1.0 1.8 3.90 776 580 A 44 PHE HBy A 44 PHE H 1.0 1.8 3.90 777 581 A 44 PHE HD% A 44 PHE H 1.0 1.8 4.08 778 582 A 44 PHE H A 58 LYS HEx 1.0 1.8 5.60 779 582 A 44 PHE H A 58 LYS HEy 1.0 1.8 5.60 780 583 A 45 TYR HD% A 45 TYR HA 1.0 1.8 3.76 781 584 A 45 TYR HA A 46 LYS H 1.0 1.8 3.69 782 585 A 46 LYS H A 45 TYR HBx 1.0 1.8 4.05 783 585 A 45 TYR HBy A 46 LYS H 1.0 1.8 4.05 784 586 A 56 VAL HGy% A 45 TYR HBx 1.0 1.8 3.66 785 586 A 45 TYR HBy A 56 VAL HGy% 1.0 1.8 3.66 786 587 A 61 ILE HG2% A 45 TYR HBx 1.0 1.8 5.80 787 587 A 61 ILE HG2% A 45 TYR HBy 1.0 1.8 5.80 788 588 A 47 ILE HG2% A 45 TYR HBx 1.0 1.8 4.44 789 589 A 47 ILE HG2% A 45 TYR HBy 1.0 1.8 4.44 790 590 A 45 TYR HD% A 46 LYS H 1.0 1.8 4.74 791 591 A 45 TYR HD% A 56 VAL HGy% 1.0 1.8 4.58 792 592 A 45 TYR HD% A 58 LYS HA 1.0 1.8 3.85 793 593 A 45 TYR HD% A 58 LYS HGy 1.0 1.8 4.96 794 593 A 45 TYR HD% A 58 LYS HGx 1.0 1.8 4.96 795 594 A 45 TYR HD% A 61 ILE HB 1.0 1.8 4.44 796 595 A 45 TYR HD% A 61 ILE HG1x 1.0 1.8 4.72 797 596 A 45 TYR HD% A 61 ILE HG1y 1.0 1.8 4.72 798 597 A 61 ILE HG2% A 45 TYR HD% 1.0 1.8 4.74 799 598 A 45 TYR HE% A 58 LYS HA 1.0 1.8 3.94 800 599 A 45 TYR HE% A 58 LYS HBy 1.0 1.8 4.73 801 599 A 45 TYR HE% A 58 LYS HBx 1.0 1.8 4.73 802 600 A 45 TYR HE% A 58 LYS HEx 1.0 1.8 5.87 803 600 A 45 TYR HE% A 58 LYS HEy 1.0 1.8 5.87 804 601 A 45 TYR HE% A 58 LYS HGy 1.0 1.8 4.65 805 601 A 45 TYR HE% A 58 LYS HGx 1.0 1.8 4.65 806 602 A 45 TYR HE% A 61 ILE HB 1.0 1.8 3.80 807 603 A 45 TYR HE% A 61 ILE HG1x 1.0 1.8 5.48 808 603 A 45 TYR HE% A 61 ILE HG1y 1.0 1.8 5.48 809 604 A 61 ILE HG2% A 45 TYR HE% 1.0 1.8 5.08 810 605 A 45 TYR HE% A 61 ILE H 1.0 1.8 5.80 811 606 A 45 TYR HE% A 64 ILE HD1% 1.0 1.8 3.81 812 607 A 45 TYR H A 45 TYR HBx 1.0 1.8 3.64 813 607 A 45 TYR HBy A 45 TYR H 1.0 1.8 3.64 814 608 A 45 TYR HD% A 45 TYR H 1.0 1.8 4.70 815 609 A 45 TYR H A 56 VAL HGy% 1.0 1.8 4.53 816 610 A 45 TYR H A 56 VAL H 1.0 1.8 4.26 817 611 A 57 ALA HA A 45 TYR H 1.0 1.8 5.15 818 612 A 45 TYR H A 58 LYS HA 1.0 1.8 5.64 819 613 A 45 TYR H A 58 LYS HGy 1.0 1.8 5.70 820 613 A 45 TYR H A 58 LYS HGx 1.0 1.8 5.70 821 614 A 45 TYR H A 58 LYS H 1.0 1.8 4.97 822 615 A 46 LYS HA A 46 LYS HGy 1.0 1.8 3.83 823 615 A 46 LYS HA A 46 LYS HGx 1.0 1.8 3.83 824 616 A 46 LYS HA A 47 ILE HG1x 1.0 1.8 5.09 825 616 A 46 LYS HA A 47 ILE HG1y 1.0 1.8 5.09 826 617 A 46 LYS HA A 47 ILE H 1.0 1.8 3.58 827 618 A 46 LYS HA A 55 TYR HA 1.0 1.8 4.13 828 619 A 55 TYR HD% A 46 LYS HA 1.0 1.8 5.06 829 620 A 55 TYR HE% A 46 LYS HA 1.0 1.8 5.69 830 621 A 56 VAL H A 46 LYS HA 1.0 1.8 5.31 831 622 A 46 LYS HBx A 46 LYS HEx 1.0 1.8 4.86 832 622 A 46 LYS HBy A 46 LYS HEx 1.0 1.8 4.86 833 622 A 46 LYS HEy A 46 LYS HBx 1.0 1.8 4.86 834 622 A 46 LYS HBy A 46 LYS HEy 1.0 1.8 4.86 835 623 A 55 TYR HD% A 46 LYS HBx 1.0 1.8 5.15 836 623 A 55 TYR HD% A 46 LYS HBy 1.0 1.8 5.15 837 624 A 55 TYR HE% A 46 LYS HBx 1.0 1.8 4.80 838 625 A 55 TYR HE% A 46 LYS HBy 1.0 1.8 4.80 839 626 A 46 LYS HEy A 53 HIS HBx 1.0 1.8 4.43 840 626 A 46 LYS HEx A 53 HIS HBx 1.0 1.8 4.43 841 626 A 53 HIS HBy A 46 LYS HEx 1.0 1.8 4.43 842 626 A 46 LYS HEy A 53 HIS HBy 1.0 1.8 4.43 843 627 A 55 TYR HE% A 46 LYS HEx 1.0 1.8 5.22 844 627 A 55 TYR HE% A 46 LYS HEy 1.0 1.8 5.22 845 628 A 53 HIS HBy A 46 LYS HEx 1.0 1.8 5.13 846 628 A 46 LYS HEx A 53 HIS HBx 1.0 1.8 5.13 847 629 A 46 LYS HEy A 53 HIS HBy 1.0 1.8 5.13 848 629 A 46 LYS HEy A 53 HIS HBx 1.0 1.8 5.13 849 630 A 46 LYS HEx A 46 LYS HGy 1.0 1.8 3.67 850 630 A 46 LYS HEy A 46 LYS HGy 1.0 1.8 3.67 851 630 A 46 LYS HGx A 46 LYS HEx 1.0 1.8 3.67 852 630 A 46 LYS HGx A 46 LYS HEy 1.0 1.8 3.67 853 631 A 47 ILE H A 46 LYS HGy 1.0 1.8 4.92 854 631 A 46 LYS HGx A 47 ILE H 1.0 1.8 4.92 855 632 A 46 LYS HGx A 53 HIS HBx 1.0 1.8 4.44 856 632 A 46 LYS HGy A 53 HIS HBx 1.0 1.8 4.44 857 632 A 53 HIS HBy A 46 LYS HGy 1.0 1.8 4.44 858 632 A 46 LYS HGx A 53 HIS HBy 1.0 1.8 4.44 859 633 A 55 TYR HE% A 46 LYS HGy 1.0 1.8 4.53 860 633 A 55 TYR HE% A 46 LYS HGx 1.0 1.8 4.53 861 634 A 46 LYS H A 46 LYS HBx 1.0 1.8 4.11 862 635 A 46 LYS H A 46 LYS HBy 1.0 1.8 4.11 863 636 A 46 LYS H A 46 LYS HGy 1.0 1.8 5.73 864 636 A 46 LYS H A 46 LYS HGx 1.0 1.8 5.73 865 637 A 47 ILE HG2% A 47 ILE HA 1.0 1.8 3.67 866 638 A 48 GLU H A 47 ILE HA 1.0 1.8 3.50 867 639 A 47 ILE HD1% A 47 ILE HB 1.0 1.8 3.55 868 640 A 48 GLU H A 47 ILE HB 1.0 1.8 4.05 869 641 A 47 ILE HD1% A 49 TYR HA 1.0 1.8 5.50 870 642 A 47 ILE HD1% A 49 TYR HBx 1.0 1.8 5.40 871 643 A 47 ILE HD1% A 49 TYR HBy 1.0 1.8 5.26 872 644 A 47 ILE HD1% A 49 TYR HD% 1.0 1.8 4.72 873 645 A 56 VAL HGx% A 47 ILE HD1% 1.0 1.8 3.92 874 646 A 47 ILE HD1% A 56 VAL HGy% 1.0 1.8 4.63 875 647 A 48 GLU H A 47 ILE HG1x 1.0 1.8 5.48 876 647 A 48 GLU H A 47 ILE HG1y 1.0 1.8 5.48 877 648 A 49 TYR HBx A 47 ILE HG1x 1.0 1.8 5.97 878 648 A 49 TYR HBx A 47 ILE HG1y 1.0 1.8 5.97 879 649 A 49 TYR HBy A 47 ILE HG1x 1.0 1.8 5.97 880 649 A 49 TYR HBy A 47 ILE HG1y 1.0 1.8 5.97 881 650 A 49 TYR H A 47 ILE HG1x 1.0 1.8 5.60 882 650 A 47 ILE HG1y A 49 TYR H 1.0 1.8 5.60 883 651 A 55 TYR HA A 47 ILE HG1x 1.0 1.8 5.42 884 651 A 47 ILE HG1y A 55 TYR HA 1.0 1.8 5.42 885 652 A 54 GLY H A 47 ILE HG1x 1.0 1.8 4.86 886 653 A 54 GLY H A 47 ILE HG1y 1.0 1.8 4.86 887 654 A 47 ILE HG2% A 48 GLU H 1.0 1.8 4.59 888 655 A 56 VAL HGx% A 47 ILE HG2% 1.0 1.8 4.63 889 656 A 47 ILE HG2% A 56 VAL HGy% 1.0 1.8 3.30 890 657 A 47 ILE HG2% A 56 VAL H 1.0 1.8 4.83 891 658 A 47 ILE HD1% A 47 ILE H 1.0 1.8 5.44 892 659 A 47 ILE H A 47 ILE HG1x 1.0 1.8 4.28 893 660 A 47 ILE HG1y A 47 ILE H 1.0 1.8 4.28 894 661 A 54 GLY H A 47 ILE H 1.0 1.8 4.28 895 662 A 47 ILE H A 55 TYR HA 1.0 1.8 4.76 896 663 A 48 GLU HA A 48 GLU HGy 1.0 1.8 3.95 897 663 A 48 GLU HGx A 48 GLU HA 1.0 1.8 3.95 898 664 A 49 TYR H A 48 GLU HA 1.0 1.8 3.30 899 665 A 48 GLU HA A 53 HIS HA 1.0 1.8 4.80 900 666 A 48 GLU HA A 53 HIS HD2 1.0 1.8 4.50 901 666 A 48 GLU HA A 53 HIS HD1 1.0 1.8 4.50 902 667 A 48 GLU HBx A 49 TYR H 1.0 1.8 5.26 903 668 A 49 TYR H A 48 GLU HBy 1.0 1.8 5.26 904 669 A 53 HIS HD1 A 48 GLU HGy 1.0 1.8 4.63 905 669 A 53 HIS HD2 A 48 GLU HGy 1.0 1.8 4.63 906 669 A 48 GLU HGx A 53 HIS HD2 1.0 1.8 4.63 907 669 A 48 GLU HGx A 53 HIS HD1 1.0 1.8 4.63 908 670 A 48 GLU H A 48 GLU HGy 1.0 1.8 4.30 909 670 A 48 GLU H A 48 GLU HGx 1.0 1.8 4.30 910 671 A 49 TYR HD% A 49 TYR HA 1.0 1.8 3.81 911 672 A 49 TYR HA A 50 LYS HA 1.0 1.8 5.35 912 673 A 49 TYR HA A 50 LYS H 1.0 1.8 3.30 913 674 A 49 TYR HBx A 50 LYS H 1.0 1.8 5.40 914 675 A 49 TYR HBx A 54 GLY H 1.0 1.8 5.53 915 676 A 49 TYR HBy A 50 LYS H 1.0 1.8 5.40 916 677 A 49 TYR HBy A 54 GLY H 1.0 1.8 5.53 917 678 A 49 TYR HD% A 50 LYS H 1.0 1.8 4.87 918 679 A 49 TYR H A 50 LYS H 1.0 1.8 5.32 919 680 A 49 TYR H A 52 SER H 1.0 1.8 4.60 920 681 A 49 TYR H A 53 HIS HA 1.0 1.8 3.89 921 682 A 50 LYS HA A 50 LYS HDx 1.0 1.8 5.20 922 682 A 50 LYS HA A 50 LYS HDy 1.0 1.8 5.20 923 683 A 50 LYS HA A 50 LYS HGy 1.0 1.8 3.72 924 683 A 50 LYS HA A 50 LYS HGx 1.0 1.8 3.72 925 684 A 51 GLY H A 50 LYS HBy 1.0 1.8 4.60 926 684 A 50 LYS HBx A 51 GLY H 1.0 1.8 4.60 927 685 A 51 GLY H A 50 LYS HGy 1.0 1.8 5.62 928 685 A 50 LYS HGx A 51 GLY H 1.0 1.8 5.62 929 686 A 50 LYS H A 50 LYS HGy 1.0 1.8 4.60 930 686 A 50 LYS H A 50 LYS HGx 1.0 1.8 4.60 931 687 A 50 LYS H A 51 GLY H 1.0 1.8 4.50 932 688 A 52 SER H A 51 GLY H 1.0 1.8 3.96 933 689 A 53 HIS H A 52 SER HBy 1.0 1.8 3.84 934 689 A 52 SER HBx A 53 HIS H 1.0 1.8 3.84 935 690 A 52 SER H A 52 SER HBy 1.0 1.8 3.75 936 690 A 52 SER H A 52 SER HBx 1.0 1.8 3.75 937 691 A 53 HIS HA A 53 HIS HD2 1.0 1.8 4.66 938 691 A 53 HIS HA A 53 HIS HD1 1.0 1.8 4.66 939 692 A 54 GLY H A 53 HIS HA 1.0 1.8 3.62 940 693 A 54 GLY H A 53 HIS HBx 1.0 1.8 4.02 941 693 A 54 GLY H A 53 HIS HBy 1.0 1.8 4.02 942 694 A 55 TYR HE% A 53 HIS HBx 1.0 1.8 5.39 943 694 A 55 TYR HE% A 53 HIS HBy 1.0 1.8 5.39 944 695 A 55 TYR HD% A 54 GLY HAx 1.0 1.8 4.66 945 695 A 54 GLY HAy A 55 TYR HD% 1.0 1.8 4.66 946 696 A 55 TYR HD% A 55 TYR HA 1.0 1.8 4.74 947 697 A 56 VAL HGx% A 55 TYR HA 1.0 1.8 5.47 948 698 A 56 VAL HGy% A 55 TYR HA 1.0 1.8 5.40 949 699 A 56 VAL H A 55 TYR HA 1.0 1.8 3.41 950 700 A 56 VAL H A 55 TYR HBx 1.0 1.8 4.50 951 700 A 55 TYR HBy A 56 VAL H 1.0 1.8 4.50 952 701 A 55 TYR H A 55 TYR HD% 1.0 1.8 4.28 953 702 A 56 VAL HGx% A 55 TYR H 1.0 1.8 5.63 954 703 A 56 VAL HGx% A 56 VAL HA 1.0 1.8 3.59 955 704 A 56 VAL HA A 56 VAL HGy% 1.0 1.8 4.50 956 705 A 57 ALA HB% A 56 VAL HA 1.0 1.8 5.13 957 706 A 57 ALA H A 56 VAL HA 1.0 1.8 3.38 958 707 A 56 VAL HB A 57 ALA H 1.0 1.8 4.02 959 708 A 61 ILE HD1% A 56 VAL HB 1.0 1.8 5.01 960 709 A 56 VAL HGx% A 57 ALA H 1.0 1.8 5.09 961 710 A 57 ALA H A 56 VAL HGy% 1.0 1.8 4.52 962 711 A 61 ILE HD1% A 56 VAL HGy% 1.0 1.8 3.65 963 712 A 56 VAL HGy% A 61 ILE HG1x 1.0 1.8 4.43 964 713 A 56 VAL HGy% A 61 ILE HG1y 1.0 1.8 4.43 965 714 A 56 VAL HGy% A 56 VAL H 1.0 1.8 3.56 966 715 A 57 ALA HA A 58 LYS HGy 1.0 1.8 5.38 967 715 A 57 ALA HA A 58 LYS HGx 1.0 1.8 5.38 968 716 A 57 ALA HA A 58 LYS H 1.0 1.8 3.30 969 717 A 57 ALA HA A 59 GLU H 1.0 1.8 5.42 970 718 A 57 ALA HB% A 58 LYS H 1.0 1.8 4.16 971 719 A 57 ALA HB% A 59 GLU H 1.0 1.8 4.54 972 720 A 60 TYR HD% A 57 ALA HB% 1.0 1.8 4.00 973 721 A 57 ALA HB% A 60 TYR HE% 1.0 1.8 3.84 974 722 A 57 ALA HB% A 60 TYR H 1.0 1.8 4.19 975 723 A 57 ALA HB% A 57 ALA H 1.0 1.8 3.47 976 724 A 60 TYR HD% A 57 ALA H 1.0 1.8 5.17 977 725 A 58 LYS HA A 58 LYS HGy 1.0 1.8 3.88 978 725 A 58 LYS HGx A 58 LYS HA 1.0 1.8 3.88 979 726 A 60 TYR H A 58 LYS HA 1.0 1.8 5.20 980 727 A 58 LYS HA A 61 ILE HB 1.0 1.8 4.80 981 728 A 58 LYS HA A 61 ILE HG1x 1.0 1.8 5.33 982 728 A 58 LYS HA A 61 ILE HG1y 1.0 1.8 5.33 983 729 A 58 LYS HA A 61 ILE H 1.0 1.8 5.16 984 730 A 58 LYS HBy A 58 LYS HEx 1.0 1.8 5.17 985 730 A 58 LYS HBx A 58 LYS HEx 1.0 1.8 5.17 986 730 A 58 LYS HEy A 58 LYS HBy 1.0 1.8 5.17 987 730 A 58 LYS HEy A 58 LYS HBx 1.0 1.8 5.17 988 731 A 59 GLU H A 58 LYS HBy 1.0 1.8 4.03 989 731 A 58 LYS HBx A 59 GLU H 1.0 1.8 4.03 990 732 A 60 TYR H A 58 LYS HBy 1.0 1.8 5.35 991 732 A 60 TYR H A 58 LYS HBx 1.0 1.8 5.35 992 733 A 58 LYS H A 58 LYS HBy 1.0 1.8 3.73 993 733 A 58 LYS H A 58 LYS HBx 1.0 1.8 3.73 994 734 A 58 LYS H A 58 LYS HGy 1.0 1.8 3.52 995 734 A 58 LYS HGx A 58 LYS H 1.0 1.8 3.52 996 735 A 58 LYS H A 59 GLU H 1.0 1.8 4.32 997 736 A 61 ILE H A 59 GLU HA 1.0 1.8 5.31 998 737 A 60 TYR H A 59 GLU HGy 1.0 1.8 4.55 999 737 A 60 TYR H A 59 GLU HGx 1.0 1.8 4.55 1000 738 A 59 GLU H A 59 GLU HBy 1.0 1.8 3.62 1001 738 A 59 GLU H A 59 GLU HBx 1.0 1.8 3.62 1002 739 A 59 GLU H A 59 GLU HGy 1.0 1.8 4.10 1003 739 A 59 GLU H A 59 GLU HGx 1.0 1.8 4.10 1004 740 A 60 TYR H A 59 GLU H 1.0 1.8 4.11 1005 741 A 60 TYR HA A 60 TYR HD% 1.0 1.8 3.99 1006 742 A 60 TYR H A 60 TYR HBx 1.0 1.8 3.51 1007 742 A 60 TYR HBy A 60 TYR H 1.0 1.8 3.51 1008 743 A 60 TYR H A 61 ILE HB 1.0 1.8 5.38 1009 744 A 61 ILE HD1% A 60 TYR H 1.0 1.8 5.58 1010 745 A 60 TYR H A 61 ILE HG1x 1.0 1.8 5.09 1011 745 A 60 TYR H A 61 ILE HG1y 1.0 1.8 5.09 1012 746 A 60 TYR H A 61 ILE H 1.0 1.8 3.55 1013 747 A 61 ILE HA A 61 ILE HD1% 1.0 1.8 4.27 1014 748 A 62 LYS H A 61 ILE HA 1.0 1.8 3.43 1015 749 A 62 LYS H A 61 ILE HB 1.0 1.8 4.80 1016 750 A 64 ILE HD1% A 61 ILE HB 1.0 1.8 4.82 1017 751 A 61 ILE HG2% A 61 ILE HG1x 1.0 1.8 4.13 1018 751 A 61 ILE HG2% A 61 ILE HG1y 1.0 1.8 4.13 1019 752 A 61 ILE HG2% A 62 LYS H 1.0 1.8 4.15 1020 753 A 61 ILE HG2% A 64 ILE HG1x 1.0 1.8 3.67 1021 753 A 61 ILE HG2% A 64 ILE HG1y 1.0 1.8 3.67 1022 754 A 61 ILE HB A 61 ILE H 1.0 1.8 3.56 1023 755 A 61 ILE HD1% A 61 ILE H 1.0 1.8 4.98 1024 756 A 61 ILE H A 61 ILE HG1x 1.0 1.8 4.70 1025 757 A 61 ILE HG1y A 61 ILE H 1.0 1.8 4.70 1026 758 A 61 ILE HG2% A 61 ILE H 1.0 1.8 4.80 1027 759 A 62 LYS HA A 63 ASP H 1.0 1.8 3.66 1028 760 A 64 ILE HD1% A 62 LYS HA 1.0 1.8 5.56 1029 761 A 62 LYS HA A 64 ILE H 1.0 1.8 5.59 1030 762 A 62 LYS HBy A 62 LYS HDy 1.0 1.8 3.47 1031 762 A 62 LYS HDx A 62 LYS HBy 1.0 1.8 3.47 1032 762 A 62 LYS HBx A 62 LYS HDx 1.0 1.8 3.47 1033 762 A 62 LYS HBx A 62 LYS HDy 1.0 1.8 3.47 1034 763 A 63 ASP H A 62 LYS HBy 1.0 1.8 3.82 1035 763 A 62 LYS HBx A 63 ASP H 1.0 1.8 3.82 1036 764 A 62 LYS HDx A 63 ASP HBy 1.0 1.8 5.10 1037 764 A 63 ASP HBx A 62 LYS HDy 1.0 1.8 5.10 1038 764 A 63 ASP HBx A 62 LYS HDx 1.0 1.8 5.10 1039 764 A 62 LYS HDy A 63 ASP HBy 1.0 1.8 5.10 1040 765 A 62 LYS HGx A 63 ASP HBx 1.0 1.8 4.84 1041 765 A 63 ASP HBx A 62 LYS HGy 1.0 1.8 4.84 1042 766 A 62 LYS HGy A 63 ASP HBy 1.0 1.8 4.84 1043 766 A 62 LYS HGx A 63 ASP HBy 1.0 1.8 4.84 1044 767 A 63 ASP H A 62 LYS HGy 1.0 1.8 5.41 1045 767 A 62 LYS HGx A 63 ASP H 1.0 1.8 5.41 1046 768 A 62 LYS H A 62 LYS HGy 1.0 1.8 4.40 1047 768 A 62 LYS HGx A 62 LYS H 1.0 1.8 4.40 1048 769 A 64 ILE H A 63 ASP HA 1.0 1.8 3.93 1049 770 A 63 ASP HBx A 64 ILE H 1.0 1.8 5.68 1050 771 A 64 ILE H A 63 ASP HBy 1.0 1.8 5.68 1051 772 A 63 ASP H A 64 ILE H 1.0 1.8 4.37 1052 773 A 64 ILE HD1% A 64 ILE HA 1.0 1.8 4.50 1053 774 A 64 ILE HG2% A 64 ILE HG1x 1.0 1.8 4.23 1054 775 A 64 ILE HG2% A 64 ILE HG1y 1.0 1.8 4.23 1055 776 A 64 ILE HG2% A 65 LYS HA 1.0 1.8 5.08 1056 777 A 64 ILE HG2% A 65 LYS H 1.0 1.8 4.32 1057 778 A 64 ILE HG2% A 66 ASP H 1.0 1.8 5.65 1058 779 A 64 ILE H A 64 ILE HB 1.0 1.8 3.70 1059 780 A 64 ILE HD1% A 64 ILE H 1.0 1.8 5.14 1060 781 A 64 ILE H A 64 ILE HG1x 1.0 1.8 3.64 1061 781 A 64 ILE HG1y A 64 ILE H 1.0 1.8 3.64 1062 782 A 64 ILE HG2% A 64 ILE H 1.0 1.8 4.82 1063 783 A 64 ILE H A 65 LYS HA 1.0 1.8 5.51 1064 784 A 65 LYS HA A 65 LYS HDx 1.0 1.8 5.31 1065 784 A 65 LYS HA A 65 LYS HDy 1.0 1.8 5.31 1066 785 A 65 LYS HA A 66 ASP H 1.0 1.8 3.30 1067 786 A 66 ASP H A 65 LYS HBy 1.0 1.8 4.03 1068 786 A 66 ASP H A 65 LYS HBx 1.0 1.8 4.03 1069 787 A 66 ASP H A 65 LYS HGx 1.0 1.8 4.70 1070 787 A 66 ASP H A 65 LYS HGy 1.0 1.8 4.70 1071 788 A 65 LYS H A 65 LYS HGx 1.0 1.8 4.66 1072 788 A 65 LYS H A 65 LYS HGy 1.0 1.8 4.66 1073 789 A 66 ASP HA A 67 GLU H 1.0 1.8 3.30 1074 790 A 67 GLU H A 66 ASP HBy 1.0 1.8 4.08 1075 790 A 67 GLU H A 66 ASP HBx 1.0 1.8 4.08 1076 791 A 66 ASP H A 66 ASP HBy 1.0 1.8 3.39 1077 791 A 66 ASP H A 66 ASP HBx 1.0 1.8 3.39 1078 792 A 67 GLU HA A 67 GLU HGy 1.0 1.8 3.99 1079 792 A 67 GLU HA A 67 GLU HGx 1.0 1.8 3.99 1080 793 A 67 GLU HA A 68 VAL HA 1.0 1.8 5.14 1081 794 A 67 GLU HA A 68 VAL HGy% 1.0 1.8 5.29 1082 794 A 67 GLU HA A 68 VAL HGx% 1.0 1.8 5.29 1083 795 A 67 GLU HA A 68 VAL H 1.0 1.8 3.60 1084 796 A 68 VAL H A 67 GLU HBy 1.0 1.8 4.54 1085 796 A 68 VAL H A 67 GLU HBx 1.0 1.8 4.54 1086 797 A 67 GLU HGx A 68 VAL H 1.0 1.8 5.53 1087 798 A 68 VAL H A 67 GLU HGy 1.0 1.8 5.53 1088 799 A 67 GLU H A 67 GLU HGy 1.0 1.8 4.47 1089 799 A 67 GLU H A 67 GLU HGx 1.0 1.8 4.47 1090 800 A 67 GLU H A 68 VAL HGy% 1.0 1.8 5.98 1091 800 A 67 GLU H A 68 VAL HGx% 1.0 1.8 5.98 1092 801 A 68 VAL HA A 68 VAL HGx% 1.0 1.8 4.23 1093 802 A 68 VAL HA A 68 VAL HGy% 1.0 1.8 4.23 1094 803 A 68 VAL HA A 69 LEU HG 1.0 1.8 6.05 1095 804 A 68 VAL HA A 69 LEU H 1.0 1.8 3.42 1096 805 A 69 LEU H A 68 VAL HB 1.0 1.8 4.44 1097 806 A 69 LEU H A 68 VAL HGy% 1.0 1.8 4.44 1098 806 A 68 VAL HGx% A 69 LEU H 1.0 1.8 4.44 1099 807 A 68 VAL H A 68 VAL HB 1.0 1.8 4.06 1100 808 A 68 VAL H A 68 VAL HGy% 1.0 1.8 4.20 1101 808 A 68 VAL HGx% A 68 VAL H 1.0 1.8 4.20 1102 809 A 69 LEU HA A 69 LEU HDx% 1.0 1.8 4.02 1103 809 A 69 LEU HA A 69 LEU HDy% 1.0 1.8 4.02 1104 810 A 69 LEU HA A 70 GLU H 1.0 1.8 3.58 1105 811 A 69 LEU HBx A 70 GLU HBx 1.0 1.8 5.13 1106 811 A 69 LEU HBy A 70 GLU HBx 1.0 1.8 5.13 1107 811 A 70 GLU HBy A 69 LEU HBy 1.0 1.8 5.13 1108 811 A 69 LEU HBx A 70 GLU HBy 1.0 1.8 5.13 1109 812 A 70 GLU H A 69 LEU HBy 1.0 1.8 3.94 1110 812 A 70 GLU H A 69 LEU HBx 1.0 1.8 3.94 1111 813 A 70 GLU H A 69 LEU HDx% 1.0 1.8 4.62 1112 813 A 69 LEU HDy% A 70 GLU H 1.0 1.8 4.62 1113 814 A 70 GLU H A 69 LEU HDx% 1.0 1.8 6.05 1114 815 A 69 LEU HDy% A 70 GLU H 1.0 1.8 6.05 1115 816 A 69 LEU HG A 70 GLU H 1.0 1.8 5.52 1116 817 A 69 LEU H A 69 LEU HDx% 1.0 1.8 5.51 1117 817 A 69 LEU H A 69 LEU HDy% 1.0 1.8 5.51 1118 818 A 69 LEU HG A 69 LEU H 1.0 1.8 4.92 1119 819 A 70 GLU HA A 71 HIS H 1.0 1.8 3.62 1120 820 A 71 HIS H A 70 GLU HBx 1.0 1.8 4.55 1121 820 A 70 GLU HBy A 71 HIS H 1.0 1.8 4.55 1122 821 A 70 GLU H A 70 GLU HBx 1.0 1.8 3.60 1123 821 A 70 GLU H A 70 GLU HBy 1.0 1.8 3.60 1124 822 A 70 GLU H A 70 GLU HGx 1.0 1.8 4.46 1125 822 A 70 GLU H A 70 GLU HGy 1.0 1.8 4.46 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 32 ASN H A 7 VAL O 1.0 1.7 2.3 2 2 A 7 VAL O A 32 ASN N 1.0 2.7 3.3 3 3 A 3 LYS H A 37 ILE O 1.0 1.7 2.3 4 4 A 37 ILE O A 3 LYS N 1.0 2.7 3.3 5 5 A 35 VAL H A 5 GLY O 1.0 1.7 2.3 6 6 A 5 GLY O A 35 VAL N 1.0 2.7 3.3 7 7 A 37 ILE H A 3 LYS O 1.0 1.7 2.3 8 8 A 3 LYS O A 37 ILE N 1.0 2.7 3.3 9 9 A 5 GLY H A 35 VAL O 1.0 1.7 2.3 10 10 A 35 VAL O A 5 GLY N 1.0 2.7 3.3 11 11 A 62 LYS H A 6 ILE O 1.0 1.7 2.3 12 12 A 6 ILE O A 62 LYS N 1.0 2.7 3.3 13 13 A 65 LYS H A 4 THR O 1.0 1.7 2.3 14 14 A 4 THR O A 65 LYS N 1.0 2.7 3.3 15 15 A 6 ILE H A 62 LYS O 1.0 1.7 2.3 16 16 A 62 LYS O A 6 ILE N 1.0 2.7 3.3 17 17 A 7 VAL H A 33 THR O 1.0 1.7 2.3 18 18 A 33 THR O A 7 VAL N 1.0 2.7 3.3 19 19 A 8 ASN H A 60 TYR O 1.0 1.7 2.3 20 20 A 60 TYR O A 8 ASN N 1.0 2.7 3.3 21 21 A 13 LEU H A 29 LEU O 1.0 1.7 2.3 22 22 A 29 LEU O A 13 LEU N 1.0 2.7 3.3 23 23 A 15 VAL H A 27 GLY O 1.0 1.7 2.3 24 24 A 27 GLY O A 15 VAL N 1.0 2.7 3.3 25 25 A 16 ARG H A 55 TYR O 1.0 1.7 2.3 26 26 A 55 TYR O A 16 ARG N 1.0 2.7 3.3 27 27 A 17 GLU H A 24 LYS O 1.0 1.7 2.3 28 28 A 24 LYS O A 17 GLU N 1.0 2.7 3.3 29 29 A 29 LEU H A 13 LEU O 1.0 1.7 2.3 30 30 A 13 LEU O A 29 LEU N 1.0 2.7 3.3 31 31 A 41 GLU H A 44 PHE O 1.0 1.7 2.3 32 32 A 44 PHE O A 41 GLU N 1.0 2.7 3.3 33 33 A 44 PHE H A 41 GLU O 1.0 1.7 2.3 34 34 A 41 GLU O A 44 PHE N 1.0 2.7 3.3 35 35 A 45 TYR H A 56 VAL O 1.0 1.7 2.3 36 36 A 56 VAL O A 45 TYR N 1.0 2.7 3.3 37 37 A 46 LYS H A 39 GLY O 1.0 1.7 2.3 38 38 A 39 GLY O A 46 LYS N 1.0 2.7 3.3 39 39 A 47 ILE H A 54 GLY O 1.0 1.7 2.3 40 40 A 54 GLY O A 47 ILE N 1.0 2.7 3.3 41 41 A 48 GLU H A 36 THR O 1.0 1.7 2.3 42 42 A 36 THR O A 48 GLU N 1.0 2.7 3.3 43 43 A 49 TYR H A 52 SER O 1.0 1.7 2.3 44 44 A 52 SER O A 49 TYR N 1.0 2.7 3.3 45 45 A 52 SER H A 49 TYR O 1.0 1.7 2.3 46 46 A 49 TYR O A 52 SER N 1.0 2.7 3.3 47 47 A 54 GLY H A 47 ILE O 1.0 1.7 2.3 48 48 A 47 ILE O A 54 GLY N 1.0 2.7 3.3 49 49 A 55 TYR H A 16 ARG O 1.0 1.7 2.3 50 50 A 16 ARG O A 55 TYR N 1.0 2.7 3.3 51 51 A 56 VAL H A 45 TYR O 1.0 1.7 2.3 52 52 A 45 TYR O A 56 VAL N 1.0 2.7 3.3 53 53 A 58 LYS H A 43 ALA O 1.0 1.7 2.3 54 54 A 43 ALA O A 58 LYS N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 GLU C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -147.24 -87.24 PHI 2 2 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 THR N 1.0 106.34 166.34 PSI 3 3 A 3 LYS C A 4 THR N A 4 THR CA A 4 THR C 1.0 -163.26 -103.26 PHI 4 4 A 4 THR N A 4 THR CA A 4 THR C A 5 GLY N 1.0 114.18 174.18 PSI 5 5 A 6 ILE C A 7 VAL N A 7 VAL CA A 7 VAL C 1.0 -111.53 -51.53 PHI 6 6 A 7 VAL N A 7 VAL CA A 7 VAL C A 8 ASN N 1.0 89.43 149.43 PSI 7 7 A 12 SER C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -152.18 -92.18 PHI 8 8 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 ASN N 1.0 112.11 172.11 PSI 9 9 A 13 LEU C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 -124.03 -64.03 PHI 10 10 A 14 ASN N A 14 ASN CA A 14 ASN C A 15 VAL N 1.0 92.84 152.84 PSI 11 11 A 14 ASN C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -133.03 -73.03 PHI 12 12 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 ARG N 1.0 98.24 158.24 PSI 13 13 A 15 VAL C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -137.46 -77.46 PHI 14 14 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 GLU N 1.0 122.97 182.97 PSI 15 15 A 27 GLY C A 28 SER N A 28 SER CA A 28 SER C 1.0 -170.35 -110.35 PHI 16 16 A 28 SER N A 28 SER CA A 28 SER C A 29 LEU N 1.0 112.96 172.96 PSI 17 17 A 28 SER C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -168.13 -108.13 PHI 18 18 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 SER N 1.0 125.39 185.39 PSI 19 19 A 32 ASN C A 33 THR N A 33 THR CA A 33 THR C 1.0 -110.25 -50.25 PHI 20 20 A 33 THR N A 33 THR CA A 33 THR C A 34 LYS N 1.0 99.11 159.11 PSI 21 21 A 33 THR C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -129.44 -69.44 PHI 22 22 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 VAL N 1.0 104.16 164.16 PSI 23 23 A 34 LYS C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -158.76 -98.76 PHI 24 24 A 35 VAL N A 35 VAL CA A 35 VAL C A 36 THR N 1.0 120.95 180.95 PSI 25 25 A 35 VAL C A 36 THR N A 36 THR CA A 36 THR C 1.0 -117.96 -57.96 PHI 26 26 A 36 THR N A 36 THR CA A 36 THR C A 37 ILE N 1.0 92.40 152.40 PSI 27 27 A 39 GLY C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -160.34 -100.34 PHI 28 28 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 GLU N 1.0 107.32 167.32 PSI 29 29 A 40 GLU C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -159.05 -99.05 PHI 30 30 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 GLY N 1.0 91.72 151.72 PSI 31 31 A 45 TYR C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -150.99 -90.99 PHI 32 32 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 ILE N 1.0 109.08 169.08 PSI 33 33 A 46 LYS C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -158.57 -98.57 PHI 34 34 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 GLU N 1.0 131.12 191.12 PSI 35 35 A 48 GLU C A 49 TYR N A 49 TYR CA A 49 TYR C 1.0 -132.22 -72.22 PHI 36 36 A 49 TYR N A 49 TYR CA A 49 TYR C A 50 LYS N 1.0 100.48 160.48 PSI 37 37 A 55 TYR C A 56 VAL N A 56 VAL CA A 56 VAL C 1.0 -155.98 -95.98 PHI 38 38 A 56 VAL N A 56 VAL CA A 56 VAL C A 57 ALA N 1.0 127.65 187.65 PSI 39 39 A 57 ALA C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -87.68 -27.68 PHI 40 40 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 GLU N 1.0 -67.69 -7.69 PSI 41 41 A 58 LYS C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -99.98 -39.98 PHI 42 42 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 TYR N 1.0 -43.83 16.17 PSI 43 43 A 60 TYR C A 61 ILE N A 61 ILE CA A 61 ILE C 1.0 -136.98 -76.98 PHI 44 44 A 61 ILE N A 61 ILE CA A 61 ILE C A 62 LYS N 1.0 97.85 157.85 PSI 45 45 A 61 ILE C A 62 LYS N A 62 LYS CA A 62 LYS C 1.0 -150.19 -90.19 PHI 46 46 A 62 LYS N A 62 LYS CA A 62 LYS C A 63 ASP N 1.0 133.95 193.95 PSI 47 47 A 64 ILE C A 65 LYS N A 65 LYS CA A 65 LYS C 1.0 -142.01 -82.01 PHI 48 48 A 65 LYS N A 65 LYS CA A 65 LYS C A 66 ASP N 1.0 107.96 167.96 PSI 49 49 A 65 LYS C A 66 ASP N A 66 ASP CA A 66 ASP C 1.0 -117.39 -57.39 PHI 50 50 A 66 ASP N A 66 ASP CA A 66 ASP C A 67 GLU N 1.0 105.53 165.53 PSI stop_ save_ save_Nnoesy.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Nnoesy.list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 2499.996 2 1H 10416.667 3 1H 12755.102 stop_ save_ save_Cnoesy_aliph.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_aliph.list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 14963.631 2 1H 10000 3 1H 15243.902 stop_ save_ save_Cnoesy_arom.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_arom.list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 5988.024 2 1H 10000 3 1H 12755.102 stop_ save_ save_4D_ccnoesy.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 4D_ccnoesy.list _nef_nmr_spectrum.num_dimensions 4 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 3121.342 2 13C 3121.342 3 1H 4197.272 4 1H 8000 stop_ save_