data_nef_c18812_2m0n save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ALA middle . . 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 MET middle . . 10 A 10 GLY middle . false 11 A 11 THR middle . . 12 A 12 LEU middle . . 13 A 13 GLU middle . . 14 A 14 ALA middle . . 15 A 15 GLN middle . . 16 A 16 THR middle . . 17 A 17 GLN middle . . 18 A 18 GLY middle . false 19 A 19 PRO middle . false 20 A 20 GLY middle . false 21 A 21 SER middle . . 22 A 22 PRO middle . false 23 A 23 GLU middle . . 24 A 24 GLY middle . false 25 A 25 VAL middle . . 26 A 26 PRO middle . false 27 A 27 PRO middle . false 28 A 28 THR middle . . 29 A 29 ASP middle . . 30 A 30 ARG middle . . 31 A 31 PHE middle . . 32 A 32 PRO middle . false 33 A 33 LEU middle . . 34 A 34 LEU middle . . 35 A 35 ALA middle . . 36 A 36 LEU middle . . 37 A 37 LEU middle . . 38 A 38 ARG middle . . 39 A 39 ARG middle . . 40 A 40 THR middle . . 41 A 41 LEU middle . . 42 A 42 THR middle . . 43 A 43 GLU middle . . 44 A 44 GLU middle . . 45 A 45 GLN middle . . 46 A 46 VAL middle . . 47 A 47 GLN middle . . 48 A 48 GLU middle . . 49 A 49 VAL middle . . 50 A 50 VAL middle . . 51 A 51 ALA middle . . 52 A 52 LYS middle . . 53 A 53 LEU middle . . 54 A 54 THR middle . . 55 A 55 ASP middle . . 56 A 56 PRO middle . false 57 A 57 GLU middle . . 58 A 58 SER middle . . 59 A 59 SER middle . . 60 A 60 ALA middle . . 61 A 61 GLN middle . . 62 A 62 ILE middle . . 63 A 63 ASP middle . . 64 A 64 GLY middle . false 65 A 65 VAL middle . . 66 A 66 VAL middle . . 67 A 67 SER middle . . 68 A 68 LYS middle . . 69 A 69 ASP middle . . 70 A 70 GLU middle . . 71 A 71 ILE middle . . 72 A 72 GLU middle . . 73 A 73 LYS middle . . 74 A 74 PHE middle . . 75 A 75 ILE middle . . 76 A 76 ALA middle . . 77 A 77 ASP middle . . 78 A 78 VAL middle . . 79 A 79 THR middle . . 80 A 80 LYS middle . . 81 A 81 ASP middle . . 82 A 82 GLU middle . . 83 A 83 PRO middle . false 84 A 84 THR middle . . 85 A 85 ALA middle . . 86 A 86 GLN middle . . 87 A 87 ASP middle . . 88 A 88 ILE middle . . 89 A 89 SER middle . . 90 A 90 ARG middle . . 91 A 91 VAL middle . . 92 A 92 ALA middle . . 93 A 93 SER middle . . 94 A 94 ARG middle . . 95 A 95 LEU middle . . 96 A 96 ALA middle . . 97 A 97 ALA middle . . 98 A 98 GLY middle . false 99 A 99 GLY middle . false 100 A 100 TRP middle . . 101 A 101 PRO middle . false 102 A 102 LEU middle . . 103 A 103 ALA middle . . 104 A 104 GLY middle . false 105 A 105 VAL middle . . 106 A 106 ASP middle . . 107 A 107 SER middle . . 108 A 108 THR middle . . 109 A 109 ALA middle . . 110 A 110 LEU middle . . 111 A 111 ASN middle . . 112 A 112 ALA 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 10 GLY H H 1 8.50 0.02 A 10 GLY HAx H 1 4.02 0.02 A 10 GLY HAy H 1 4.02 0.02 A 10 GLY C C 13 174.1 0.2 A 10 GLY CA C 13 45.3 0.2 A 11 THR H H 1 8.10 0.02 A 11 THR HA H 1 4.35 0.02 A 11 THR HB H 1 4.25 0.02 A 11 THR HG2% H 1 1.21 0.02 A 11 THR C C 13 174.7 0.2 A 11 THR CA C 13 62.0 0.2 A 11 THR CB C 13 69.8 0.2 A 11 THR CG2 C 13 21.4 0.2 A 11 THR N N 15 113.7 0.2 A 12 LEU H H 1 8.38 0.02 A 12 LEU C C 13 177.6 0.2 A 12 LEU CA C 13 55.4 0.2 A 12 LEU CB C 13 42.0 0.2 A 12 LEU N N 15 124.1 0.2 A 13 GLU H H 1 8.44 0.02 A 13 GLU HA H 1 4.22 0.02 A 13 GLU HBy H 1 2.06 0.02 A 13 GLU HBx H 1 1.99 0.02 A 13 GLU HGx H 1 2.28 0.02 A 13 GLU HGy H 1 2.28 0.02 A 13 GLU C C 13 176.3 0.2 A 13 GLU CA C 13 56.9 0.2 A 13 GLU CB C 13 29.6 0.2 A 13 GLU CG C 13 36.3 0.2 A 13 GLU N N 15 121.5 0.2 A 14 ALA H H 1 8.28 0.02 A 14 ALA CA C 13 52.6 0.2 A 14 ALA CB C 13 19.0 0.2 A 14 ALA N N 15 124.3 0.2 A 15 GLN H H 1 8.36 0.02 A 15 GLN HA H 1 4.40 0.02 A 15 GLN C C 13 176.3 0.2 A 15 GLN CA C 13 55.8 0.2 A 15 GLN CB C 13 29.3 0.2 A 15 GLN CG C 13 33.7 0.2 A 15 GLN N N 15 118.7 0.2 A 16 THR H H 1 8.20 0.02 A 16 THR C C 13 174.4 0.2 A 16 THR CA C 13 62.0 0.2 A 16 THR CB C 13 69.7 0.2 A 16 THR CG2 C 13 21.4 0.2 A 16 THR N N 15 114.8 0.2 A 17 GLN H H 1 8.43 0.02 A 17 GLN C C 13 175.9 0.2 A 17 GLN CA C 13 55.5 0.2 A 17 GLN CB C 13 29.6 0.2 A 17 GLN CG C 13 33.6 0.2 A 17 GLN N N 15 122.2 0.2 A 18 GLY H H 1 8.36 0.02 A 18 GLY HAy H 1 4.17 0.02 A 18 GLY HAx H 1 4.10 0.02 A 18 GLY CA C 13 44.5 0.2 A 18 GLY N N 15 110.1 0.2 A 19 PRO HA H 1 4.46 0.02 A 19 PRO HDy H 1 3.68 0.02 A 19 PRO HDx H 1 3.65 0.02 A 19 PRO C C 13 177.7 0.2 A 19 PRO CA C 13 63.6 0.2 A 19 PRO CB C 13 31.9 0.2 A 19 PRO CD C 13 49.8 0.2 A 19 PRO CG C 13 27.0 0.2 A 20 GLY H H 1 8.63 0.02 A 20 GLY HAx H 1 3.99 0.02 A 20 GLY HAy H 1 3.99 0.02 A 20 GLY C C 13 174.1 0.2 A 20 GLY CA C 13 45.2 0.2 A 20 GLY N N 15 109.6 0.2 A 21 SER H H 1 8.15 0.02 A 21 SER HA H 1 4.46 0.02 A 21 SER HBx H 1 3.86 0.02 A 21 SER HBy H 1 3.86 0.02 A 21 SER C C 13 174.1 0.2 A 21 SER CA C 13 58.3 0.1 A 21 SER CB C 13 63.9 0.2 A 21 SER N N 15 115.3 0.2 A 22 PRO HA H 1 4.44 0.02 A 22 PRO HBy H 1 2.31 0.02 A 22 PRO HBx H 1 1.92 0.02 A 22 PRO HDx H 1 3.70 0.02 A 22 PRO HDy H 1 3.86 0.02 A 22 PRO HGx H 1 2.06 0.02 A 22 PRO HGy H 1 2.06 0.02 A 22 PRO C C 13 176.8 0.2 A 22 PRO CA C 13 63.1 0.2 A 22 PRO CB C 13 32.1 0.2 A 22 PRO CD C 13 50.5 0.2 A 22 PRO CG C 13 27.1 0.2 A 23 GLU H H 1 8.63 0.02 A 23 GLU HA H 1 4.28 0.02 A 23 GLU HBy H 1 2.07 0.02 A 23 GLU HBx H 1 1.98 0.02 A 23 GLU HGx H 1 2.32 0.02 A 23 GLU HGy H 1 2.32 0.02 A 23 GLU C C 13 177.0 0.2 A 23 GLU CA C 13 56.6 0.2 A 23 GLU CB C 13 30.4 0.2 A 23 GLU CG C 13 36.1 0.2 A 23 GLU N N 15 120.9 0.2 A 24 GLY H H 1 8.45 0.02 A 24 GLY HAx H 1 3.97 0.02 A 24 GLY HAy H 1 3.97 0.02 A 24 GLY C C 13 173.6 0.2 A 24 GLY CA C 13 45.1 0.2 A 24 GLY N N 15 109.8 0.2 A 25 VAL H H 1 7.99 0.02 A 25 VAL HA H 1 4.46 0.02 A 25 VAL HB H 1 2.08 0.02 A 25 VAL HGx% H 1 0.99 0.02 A 25 VAL HGy% H 1 0.99 0.02 A 25 VAL CA C 13 59.7 0.2 A 25 VAL CB C 13 32.6 0.2 A 25 VAL CGx C 13 21.0 0.2 A 25 VAL CGy C 13 21.0 0.2 A 25 VAL N N 15 120.6 0.2 A 26 PRO HDy H 1 3.95 0.02 A 26 PRO HDx H 1 3.70 0.02 A 26 PRO CD C 13 50.9 0.2 A 27 PRO HA H 1 4.52 0.02 A 27 PRO HBx H 1 2.34 0.02 A 27 PRO HBy H 1 2.34 0.02 A 27 PRO HDy H 1 3.85 0.02 A 27 PRO HDx H 1 3.70 0.02 A 27 PRO HGx H 1 2.08 0.02 A 27 PRO HGy H 1 2.08 0.02 A 27 PRO C C 13 177.2 0.2 A 27 PRO CA C 13 63.1 0.2 A 27 PRO CB C 13 32.0 0.2 A 27 PRO CG C 13 27.5 0.2 A 28 THR H H 1 8.16 0.02 A 28 THR HA H 1 4.27 0.02 A 28 THR HB H 1 4.25 0.02 A 28 THR HG2% H 1 1.24 0.02 A 28 THR C C 13 174.4 0.2 A 28 THR CA C 13 62.0 0.2 A 28 THR CB C 13 69.7 0.2 A 28 THR CG2 C 13 21.6 0.2 A 28 THR N N 15 113.0 0.2 A 29 ASP H H 1 8.29 0.02 A 29 ASP HA H 1 4.58 0.02 A 29 ASP HBx H 1 2.62 0.02 A 29 ASP HBy H 1 2.62 0.02 A 29 ASP CA C 13 54.3 0.2 A 29 ASP CB C 13 40.9 0.2 A 29 ASP N N 15 122.1 0.2 A 30 ARG H H 1 8.07 0.02 A 30 ARG HA H 1 4.19 0.02 A 30 ARG HBx H 1 1.62 0.02 A 30 ARG HBy H 1 1.62 0.02 A 30 ARG HDx H 1 3.12 0.02 A 30 ARG HDy H 1 3.12 0.02 A 30 ARG HGy H 1 1.48 0.02 A 30 ARG HGx H 1 1.41 0.02 A 30 ARG C C 13 175.6 0.2 A 30 ARG CA C 13 56.2 0.2 A 30 ARG CB C 13 30.8 0.2 A 30 ARG CD C 13 43.2 0.2 A 30 ARG CG C 13 27.0 0.2 A 30 ARG N N 15 120.3 0.2 A 31 PHE H H 1 8.24 0.02 A 31 PHE HBy H 1 3.20 0.02 A 31 PHE HBx H 1 2.98 0.02 A 31 PHE HDx H 1 7.31 0.02 A 31 PHE HDy H 1 7.31 0.02 A 31 PHE CB C 13 38.8 0.2 A 31 PHE CDx C 13 132.1 0.2 A 31 PHE CDy C 13 132.1 0.2 A 31 PHE N N 15 120.5 0.2 A 32 PRO HA H 1 4.44 0.02 A 32 PRO HBy H 1 2.30 0.02 A 32 PRO HBx H 1 1.92 0.02 A 32 PRO HDy H 1 3.71 0.02 A 32 PRO HDx H 1 3.61 0.02 A 32 PRO HGx H 1 2.02 0.02 A 32 PRO HGy H 1 2.02 0.02 A 32 PRO C C 13 177.2 0.2 A 32 PRO CA C 13 63.4 0.2 A 32 PRO CB C 13 31.7 0.2 A 32 PRO CD C 13 50.5 0.2 A 32 PRO CG C 13 27.4 0.2 A 33 LEU H H 1 8.29 0.02 A 33 LEU HA H 1 4.33 0.02 A 33 LEU HBx H 1 1.70 0.02 A 33 LEU HBy H 1 1.70 0.02 A 33 LEU HDx% H 1 0.96 0.02 A 33 LEU HDy% H 1 0.96 0.02 A 33 LEU HG H 1 1.66 0.02 A 33 LEU CA C 13 55.6 0.2 A 33 LEU CB C 13 42.1 0.2 A 33 LEU CG C 13 26.9 0.2 A 33 LEU N N 15 121.0 0.2 A 34 LEU H H 1 8.11 0.02 A 34 LEU HA H 1 4.31 0.02 A 34 LEU HDx% H 1 0.93 0.02 A 34 LEU HDy% H 1 0.93 0.02 A 34 LEU C C 13 177.3 0.2 A 34 LEU CA C 13 55.2 0.2 A 34 LEU CB C 13 41.9 0.2 A 34 LEU CG C 13 26.9 0.2 A 34 LEU N N 15 122.1 0.2 A 35 ALA H H 1 8.14 0.02 A 35 ALA HA H 1 4.28 0.02 A 35 ALA HB% H 1 1.41 0.02 A 35 ALA C C 13 177.6 0.2 A 35 ALA CA C 13 52.7 0.2 A 35 ALA CB C 13 18.8 0.2 A 35 ALA N N 15 123.4 0.2 A 36 LEU H H 1 7.99 0.02 A 36 LEU HA H 1 4.26 0.02 A 36 LEU HBx H 1 1.63 0.2 A 36 LEU HBy H 1 1.63 0.2 A 36 LEU HDx% H 1 0.95 0.02 A 36 LEU HDy% H 1 0.89 0.02 A 36 LEU HG H 1 1.63 0.2 A 36 LEU CA C 13 55.5 0.2 A 36 LEU CB C 13 42.0 0.2 A 36 LEU CDy C 13 24.9 0.2 A 36 LEU CDx C 13 23.5 0.2 A 36 LEU N N 15 120.0 0.2 A 37 LEU H H 1 8.19 0.02 A 37 LEU HA H 1 4.38 0.02 A 37 LEU HBx H 1 1.65 0.2 A 37 LEU HBy H 1 1.65 0.2 A 37 LEU HDx% H 1 0.93 0.02 A 37 LEU HDy% H 1 0.93 0.02 A 37 LEU HG H 1 1.65 0.2 A 37 LEU C C 13 177.1 0.2 A 37 LEU CA C 13 55.0 0.2 A 37 LEU CB C 13 42.1 0.2 A 37 LEU CDx C 13 24.9 0.2 A 37 LEU N N 15 122.7 0.2 A 38 ARG H H 1 8.04 0.02 A 38 ARG HA H 1 4.47 0.02 A 38 ARG HBx H 1 1.73 0.02 A 38 ARG HBy H 1 1.73 0.02 A 38 ARG HDy H 1 3.30 0.02 A 38 ARG HDx H 1 3.22 0.02 A 38 ARG HGx H 1 1.67 0.02 A 38 ARG HGy H 1 1.67 0.02 A 38 ARG C C 13 176.2 0.2 A 38 ARG CA C 13 55.1 0.2 A 38 ARG CB C 13 31.2 0.2 A 38 ARG CD C 13 43.3 0.3 A 38 ARG CG C 13 26.8 0.2 A 38 ARG N N 15 121.6 0.2 A 39 ARG H H 1 8.84 0.02 A 39 ARG HA H 1 4.37 0.02 A 39 ARG HBx H 1 1.85 0.02 A 39 ARG HBy H 1 1.85 0.02 A 39 ARG HDx H 1 3.34 0.02 A 39 ARG HDy H 1 3.34 0.02 A 39 ARG HGy H 1 1.79 0.02 A 39 ARG HGx H 1 1.67 0.02 A 39 ARG C C 13 175.5 0.2 A 39 ARG CA C 13 56.7 0.2 A 39 ARG CB C 13 31.2 0.2 A 39 ARG CD C 13 43.3 0.2 A 39 ARG CG C 13 27.8 0.2 A 39 ARG N N 15 123.6 0.2 A 40 THR H H 1 8.15 0.02 A 40 THR HA H 1 4.77 0.02 A 40 THR HB H 1 4.47 0.02 A 40 THR HG2% H 1 1.19 0.02 A 40 THR C C 13 175.3 0.2 A 40 THR CA C 13 59.5 0.2 A 40 THR CB C 13 71.7 0.2 A 40 THR CG2 C 13 21.9 0.2 A 40 THR N N 15 113.9 0.2 A 41 LEU H H 1 9.48 0.02 A 41 LEU HA H 1 4.47 0.02 A 41 LEU HBx H 1 1.57 0.02 A 41 LEU HBy H 1 1.57 0.02 A 41 LEU HDx% H 1 0.79 0.02 A 41 LEU HDy% H 1 0.79 0.02 A 41 LEU HG H 1 0.80 0.02 A 41 LEU C C 13 179.7 0.2 A 41 LEU CA C 13 54.9 0.2 A 41 LEU CB C 13 43.0 0.2 A 41 LEU CDx C 13 24.5 0.2 A 41 LEU CDy C 13 24.5 0.2 A 41 LEU CG C 13 27.9 0.2 A 41 LEU N N 15 123.1 0.2 A 42 THR H H 1 8.79 0.02 A 42 THR HA H 1 4.58 0.02 A 42 THR HB H 1 4.80 0.02 A 42 THR HG2% H 1 1.34 0.02 A 42 THR C C 13 175.4 0.2 A 42 THR CA C 13 60.9 0.2 A 42 THR CB C 13 70.6 0.2 A 42 THR CG2 C 13 21.8 0.2 A 42 THR N N 15 115.1 0.2 A 43 GLU H H 1 9.02 0.02 A 43 GLU HA H 1 4.02 0.02 A 43 GLU HBy H 1 2.06 0.02 A 43 GLU HBx H 1 1.97 0.02 A 43 GLU HGy H 1 2.40 0.02 A 43 GLU HGx H 1 2.30 0.02 A 43 GLU C C 13 179.1 0.2 A 43 GLU CA C 13 59.7 0.2 A 43 GLU CB C 13 28.9 0.2 A 43 GLU CG C 13 35.6 0.2 A 43 GLU N N 15 121.4 0.2 A 44 GLU H H 1 8.81 0.02 A 44 GLU HA H 1 4.02 0.02 A 44 GLU HBy H 1 2.11 0.02 A 44 GLU HBx H 1 2.06 0.02 A 44 GLU HGy H 1 2.44 0.02 A 44 GLU HGx H 1 2.31 0.02 A 44 GLU C C 13 179.7 0.2 A 44 GLU CA C 13 60.2 0.2 A 44 GLU CB C 13 29.0 0.2 A 44 GLU CG C 13 37.2 0.2 A 44 GLU N N 15 118.3 0.2 A 45 GLN H H 1 7.80 0.02 A 45 GLN HA H 1 4.22 0.02 A 45 GLN HBx H 1 1.90 0.02 A 45 GLN HBy H 1 1.90 0.02 A 45 GLN HE2y H 1 7.66 0.02 A 45 GLN HE2x H 1 6.60 0.02 A 45 GLN HGy H 1 2.52 0.02 A 45 GLN HGx H 1 2.43 0.02 A 45 GLN C C 13 178.5 0.2 A 45 GLN CA C 13 58.3 0.2 A 45 GLN CB C 13 29.2 0.2 A 45 GLN CG C 13 34.6 0.2 A 45 GLN N N 15 119.3 0.2 A 45 GLN NE2 N 15 109.9 0.2 A 46 VAL H H 1 8.42 0.02 A 46 VAL HA H 1 3.40 0.02 A 46 VAL HB H 1 2.39 0.02 A 46 VAL HGx% H 1 0.94 0.02 A 46 VAL HGy% H 1 0.80 0.02 A 46 VAL C C 13 177.5 0.2 A 46 VAL CA C 13 67.6 0.2 A 46 VAL CB C 13 31.3 0.2 A 46 VAL CGy C 13 23.4 0.2 A 46 VAL CGx C 13 21.4 0.2 A 46 VAL N N 15 121.0 0.2 A 47 GLN H H 1 7.47 0.02 A 47 GLN HA H 1 3.89 0.02 A 47 GLN HBy H 1 2.25 0.02 A 47 GLN HBx H 1 2.20 0.02 A 47 GLN HE2y H 1 7.80 0.02 A 47 GLN HE2x H 1 6.89 0.02 A 47 GLN HGy H 1 2.57 0.02 A 47 GLN HGx H 1 2.43 0.02 A 47 GLN C C 13 178.5 0.2 A 47 GLN CA C 13 58.8 0.2 A 47 GLN CB C 13 27.7 0.2 A 47 GLN CG C 13 33.6 0.2 A 47 GLN N N 15 115.9 0.2 A 47 GLN NE2 N 15 111.9 0.2 A 48 GLU H H 1 7.94 0.02 A 48 GLU HA H 1 4.12 0.02 A 48 GLU HBx H 1 2.22 0.02 A 48 GLU HBy H 1 2.22 0.02 A 48 GLU HGy H 1 2.46 0.02 A 48 GLU HGx H 1 2.14 0.02 A 48 GLU C C 13 178.5 0.2 A 48 GLU CA C 13 59.3 0.2 A 48 GLU CB C 13 29.8 0.2 A 48 GLU CG C 13 35.9 0.2 A 48 GLU N N 15 121.4 0.2 A 49 VAL H H 1 8.58 0.02 A 49 VAL HA H 1 3.59 0.02 A 49 VAL HB H 1 2.23 0.02 A 49 VAL HGx% H 1 1.13 0.02 A 49 VAL HGy% H 1 1.05 0.02 A 49 VAL CA C 13 67.2 0.2 A 49 VAL CB C 13 31.5 0.2 A 49 VAL CGy C 13 24.6 0.2 A 49 VAL CGx C 13 22.7 0.2 A 49 VAL N N 15 120.3 0.2 A 50 VAL H H 1 8.35 0.02 A 50 VAL HA H 1 3.22 0.02 A 50 VAL HB H 1 2.15 0.02 A 50 VAL HGx% H 1 1.03 0.02 A 50 VAL HGy% H 1 0.73 0.02 A 50 VAL C C 13 178.6 0.2 A 50 VAL CA C 13 67.5 0.2 A 50 VAL CB C 13 31.4 0.2 A 50 VAL CGy C 13 24.7 0.2 A 50 VAL CGx C 13 20.4 0.2 A 50 VAL N N 15 118.7 0.2 A 51 ALA H H 1 8.32 0.02 A 51 ALA HA H 1 3.83 0.02 A 51 ALA HB% H 1 1.53 0.02 A 51 ALA C C 13 180.1 0.2 A 51 ALA CA C 13 55.3 0.2 A 51 ALA CB C 13 17.7 0.2 A 51 ALA N N 15 123.2 0.2 A 52 LYS H H 1 8.17 0.02 A 52 LYS HA H 1 4.12 0.02 A 52 LYS C C 13 180.2 0.2 A 52 LYS CA C 13 59.2 0.2 A 52 LYS CB C 13 32.7 0.2 A 52 LYS N N 15 117.2 0.2 A 53 LEU H H 1 8.17 0.02 A 53 LEU HA H 1 3.39 0.02 A 53 LEU HBx H 1 1.71 0.02 A 53 LEU HBy H 1 1.71 0.02 A 53 LEU HDx% H 1 0.93 0.02 A 53 LEU HDy% H 1 -0.19 0.02 A 53 LEU HG H 1 0.59 0.02 A 53 LEU C C 13 176.3 0.2 A 53 LEU CA C 13 56.3 0.2 A 53 LEU CB C 13 44.3 0.2 A 53 LEU CG C 13 29.5 0.2 A 53 LEU N N 15 118.6 0.2 A 54 THR H H 1 6.99 0.02 A 54 THR HA H 1 3.49 0.02 A 54 THR HB H 1 2.67 0.02 A 54 THR HG2% H 1 -0.47 0.02 A 54 THR C C 13 173.6 0.2 A 54 THR CA C 13 60.8 0.2 A 54 THR CB C 13 69.7 0.2 A 54 THR CG2 C 13 20.3 0.2 A 54 THR N N 15 103.0 0.2 A 55 ASP H H 1 6.90 0.02 A 55 ASP HA H 1 4.63 0.02 A 55 ASP HBy H 1 2.83 0.02 A 55 ASP HBx H 1 2.54 0.02 A 55 ASP CA C 13 52.6 0.2 A 55 ASP CB C 13 42.2 0.2 A 55 ASP N N 15 126.4 0.2 A 56 PRO HA H 1 4.34 0.02 A 56 PRO HBy H 1 2.48 0.02 A 56 PRO HBx H 1 2.01 0.02 A 56 PRO HDx H 1 3.89 0.02 A 56 PRO HDy H 1 3.89 0.02 A 56 PRO HGx H 1 2.20 0.02 A 56 PRO HGy H 1 2.20 0.02 A 56 PRO C C 13 178.5 0.2 A 56 PRO CA C 13 65.1 0.2 A 56 PRO CB C 13 32.1 0.2 A 56 PRO CD C 13 50.6 0.2 A 56 PRO CG C 13 27.4 0.2 A 57 GLU H H 1 8.64 0.02 A 57 GLU HBy H 1 2.30 0.02 A 57 GLU HBx H 1 1.86 0.02 A 57 GLU C C 13 176.3 0.2 A 57 GLU CA C 13 59.6 0.2 A 57 GLU CB C 13 29.4 0.2 A 57 GLU CG C 13 33.7 0.2 A 57 GLU N N 15 115.7 0.2 A 58 SER H H 1 8.18 0.02 A 58 SER HA H 1 4.26 0.02 A 58 SER HBx H 1 4.27 0.02 A 58 SER HBy H 1 4.27 0.02 A 58 SER C C 13 177.4 0.2 A 58 SER CA C 13 62.9 0.2 A 58 SER CB C 13 69.3 0.2 A 58 SER N N 15 115.0 0.2 A 60 ALA H H 1 8.02 0.02 A 60 ALA HA H 1 4.63 0.02 A 60 ALA HB% H 1 1.25 0.02 A 60 ALA C C 13 180.6 0.2 A 60 ALA CA C 13 53.6 0.2 A 60 ALA CB C 13 19.2 0.2 A 60 ALA N N 15 123.0 0.2 A 61 GLN H H 1 7.50 0.02 A 61 GLN HA H 1 4.02 0.02 A 61 GLN C C 13 176.9 0.2 A 61 GLN CA C 13 54.9 0.2 A 61 GLN CB C 13 28.5 0.2 A 61 GLN CG C 13 33.0 0.2 A 61 GLN N N 15 114.0 0.2 A 62 ILE H H 1 7.24 0.02 A 62 ILE HA H 1 3.78 0.02 A 62 ILE HB H 1 1.86 0.02 A 62 ILE HD1% H 1 1.01 0.02 A 62 ILE HG1y H 1 1.79 0.02 A 62 ILE HG1x H 1 1.21 0.02 A 62 ILE HG2% H 1 0.97 0.02 A 62 ILE C C 13 176.8 0.2 A 62 ILE CA C 13 65.9 0.2 A 62 ILE CB C 13 37.7 0.2 A 62 ILE CD1 C 13 13.1 0.2 A 62 ILE CG1 C 13 29.5 0.2 A 62 ILE CG2 C 13 16.7 0.2 A 62 ILE N N 15 123.9 0.2 A 63 ASP H H 1 7.86 0.02 A 63 ASP HA H 1 4.81 0.02 A 63 ASP HBy H 1 3.20 0.02 A 63 ASP HBx H 1 2.60 0.02 A 63 ASP C C 13 177.5 0.2 A 63 ASP CA C 13 51.7 0.2 A 63 ASP CB C 13 40.3 0.2 A 63 ASP N N 15 114.1 0.2 A 64 GLY H H 1 7.86 0.02 A 64 GLY HAy H 1 4.13 0.02 A 64 GLY HAx H 1 3.86 0.02 A 64 GLY C C 13 173.4 0.2 A 64 GLY CA C 13 45.9 0.2 A 64 GLY N N 15 104.8 0.2 A 65 VAL H H 1 7.55 0.02 A 65 VAL HA H 1 4.50 0.02 A 65 VAL HB H 1 1.70 0.02 A 65 VAL HGx% H 1 0.78 0.02 A 65 VAL HGy% H 1 0.78 0.02 A 65 VAL C C 13 173.3 0.2 A 65 VAL CA C 13 60.1 0.2 A 65 VAL CB C 13 36.1 0.2 A 65 VAL CGx C 13 20.8 0.2 A 65 VAL CGy C 13 20.8 0.2 A 65 VAL N N 15 117.7 0.2 A 66 VAL H H 1 8.54 0.02 A 66 VAL HA H 1 4.73 0.02 A 66 VAL HB H 1 2.02 0.02 A 66 VAL HGx% H 1 0.83 0.02 A 66 VAL HGy% H 1 0.83 0.02 A 66 VAL C C 13 174.3 0.2 A 66 VAL CA C 13 61.5 0.2 A 66 VAL CB C 13 31.8 0.2 A 66 VAL CGy C 13 24.3 0.2 A 66 VAL CGx C 13 21.2 0.2 A 66 VAL N N 15 129.5 0.2 A 67 SER H H 1 9.37 0.02 A 67 SER HA H 1 5.51 0.02 A 67 SER HBy H 1 4.33 0.02 A 67 SER HBx H 1 3.86 0.02 A 67 SER CA C 13 55.7 0.2 A 67 SER CB C 13 66.1 0.2 A 67 SER N N 15 123.5 0.2 A 68 LYS C C 13 177.1 0.2 A 69 ASP H H 1 8.42 0.02 A 69 ASP HA H 1 4.45 0.02 A 69 ASP HBy H 1 2.68 0.02 A 69 ASP HBx H 1 2.62 0.02 A 69 ASP C C 13 178.8 0.2 A 69 ASP CA C 13 56.9 0.2 A 69 ASP CB C 13 40.4 0.2 A 69 ASP N N 15 114.8 0.2 A 70 GLU H H 1 7.60 0.02 A 70 GLU HA H 1 4.15 0.02 A 70 GLU HBy H 1 2.66 0.02 A 70 GLU HBx H 1 1.56 0.02 A 70 GLU HGy H 1 2.52 0.02 A 70 GLU HGx H 1 2.35 0.02 A 70 GLU C C 13 178.0 0.2 A 70 GLU CA C 13 59.2 0.2 A 70 GLU CB C 13 28.6 0.2 A 70 GLU CG C 13 36.4 0.2 A 70 GLU N N 15 120.3 0.2 A 71 ILE H H 1 8.05 0.02 A 71 ILE HA H 1 3.43 0.02 A 71 ILE HB H 1 2.10 0.02 A 71 ILE HD1% H 1 0.71 0.02 A 71 ILE HG1y H 1 1.80 0.02 A 71 ILE HG1x H 1 0.53 0.02 A 71 ILE HG2% H 1 0.97 0.02 A 71 ILE C C 13 177.3 0.2 A 71 ILE CA C 13 67.3 0.1 A 71 ILE CB C 13 37.8 0.2 A 71 ILE CD1 C 13 13.3 0.2 A 71 ILE CG1 C 13 29.2 0.2 A 71 ILE CG2 C 13 18.8 0.2 A 71 ILE N N 15 119.1 0.2 A 72 GLU H H 1 8.46 0.02 A 72 GLU HA H 1 3.65 0.02 A 72 GLU HBy H 1 2.28 0.02 A 72 GLU HBx H 1 2.12 0.02 A 72 GLU HGy H 1 2.52 0.02 A 72 GLU HGx H 1 2.09 0.02 A 72 GLU C C 13 178.0 0.2 A 72 GLU CA C 13 61.0 0.2 A 72 GLU CB C 13 30.2 0.2 A 72 GLU CG C 13 37.8 0.2 A 72 GLU N N 15 116.2 0.2 A 73 LYS H H 1 8.02 0.02 A 73 LYS C C 13 179.0 0.2 A 73 LYS CA C 13 59.4 0.2 A 73 LYS CB C 13 32.6 0.2 A 73 LYS CD C 13 28.8 0.2 A 73 LYS CG C 13 24.9 0.2 A 73 LYS N N 15 118.6 0.2 A 74 PHE H H 1 8.87 0.02 A 74 PHE HA H 1 4.32 0.02 A 74 PHE HBy H 1 3.19 0.02 A 74 PHE HBx H 1 2.95 0.02 A 74 PHE HDx H 1 7.59 0.02 A 74 PHE HDy H 1 7.59 0.02 A 74 PHE HEx H 1 7.26 0.02 A 74 PHE HEy H 1 7.26 0.02 A 74 PHE C C 13 179.4 0.2 A 74 PHE CA C 13 61.3 0.2 A 74 PHE CB C 13 38.3 0.2 A 74 PHE CDx C 13 132.2 0.2 A 74 PHE CDy C 13 132.2 0.2 A 74 PHE CEx C 13 130.6 0.2 A 74 PHE CEy C 13 130.6 0.2 A 74 PHE N N 15 118.5 0.2 A 75 ILE H H 1 8.57 0.02 A 75 ILE HA H 1 3.77 0.02 A 75 ILE HB H 1 1.94 0.02 A 75 ILE HD1% H 1 0.79 0.02 A 75 ILE HG2% H 1 1.04 0.02 A 75 ILE C C 13 177.9 0.2 A 75 ILE CA C 13 66.8 0.2 A 75 ILE CB C 13 38.5 0.2 A 75 ILE CD1 C 13 16.0 0.2 A 75 ILE CG2 C 13 18.0 0.2 A 75 ILE N N 15 119.0 0.2 A 76 ALA H H 1 8.23 0.02 A 76 ALA HA H 1 4.57 0.02 A 76 ALA HB% H 1 1.51 0.02 A 76 ALA C C 13 181.0 0.2 A 76 ALA CA C 13 54.6 0.2 A 76 ALA CB C 13 18.4 0.2 A 76 ALA N N 15 122.2 0.2 A 77 ASP H H 1 7.90 0.02 A 77 ASP HA H 1 4.44 0.02 A 77 ASP HBy H 1 2.70 0.02 A 77 ASP HBx H 1 2.60 0.02 A 77 ASP C C 13 177.2 0.2 A 77 ASP CA C 13 56.7 0.2 A 77 ASP CB C 13 41.1 0.2 A 77 ASP N N 15 117.2 0.2 A 78 VAL H H 1 7.73 0.02 A 78 VAL HA H 1 3.97 0.02 A 78 VAL HB H 1 2.21 0.02 A 78 VAL HGx% H 1 1.05 0.02 A 78 VAL HGy% H 1 0.85 0.02 A 78 VAL C C 13 177.8 0.2 A 78 VAL CA C 13 64.8 0.2 A 78 VAL CB C 13 32.7 0.2 A 78 VAL CGy C 13 22.5 0.2 A 78 VAL CGx C 13 21.7 0.2 A 78 VAL N N 15 118.1 0.2 A 79 THR H H 1 8.83 0.02 A 79 THR HA H 1 4.10 0.02 A 79 THR HB H 1 3.98 0.02 A 79 THR HG2% H 1 1.05 0.02 A 79 THR C C 13 175.7 0.2 A 79 THR CA C 13 69.4 0.2 A 79 THR CB C 13 63.1 0.2 A 79 THR CG2 C 13 22.5 0.2 A 79 THR N N 15 109.8 0.2 A 80 LYS H H 1 8.44 0.02 A 80 LYS HA H 1 4.01 0.02 A 80 LYS HBy H 1 1.65 0.02 A 80 LYS HBx H 1 1.57 0.02 A 80 LYS HGy H 1 1.38 0.02 A 80 LYS HGx H 1 1.26 0.02 A 80 LYS CA C 13 55.7 0.2 A 80 LYS CB C 13 28.4 0.2 A 80 LYS CD C 13 26.7 0.2 A 80 LYS CE C 13 44.7 0.2 A 80 LYS CG C 13 24.6 0.2 A 80 LYS N N 15 115.7 0.2 A 81 ASP H H 1 8.14 0.02 A 81 ASP HA H 1 4.85 0.02 A 81 ASP HBy H 1 2.77 0.02 A 81 ASP HBx H 1 2.45 0.02 A 81 ASP C C 13 174.4 0.2 A 81 ASP CA C 13 51.2 0.2 A 81 ASP CB C 13 44.4 0.2 A 81 ASP N N 15 119.6 0.2 A 82 GLU H H 1 8.81 0.02 A 82 GLU HA H 1 4.45 0.02 A 82 GLU HBy H 1 1.90 0.02 A 82 GLU HBx H 1 1.84 0.02 A 82 GLU CA C 13 54.2 0.2 A 82 GLU CB C 13 29.9 0.2 A 82 GLU N N 15 120.5 0.2 A 83 PRO HA H 1 4.65 0.02 A 83 PRO HBy H 1 2.19 0.02 A 83 PRO HBx H 1 1.90 0.02 A 83 PRO HDy H 1 4.12 0.02 A 83 PRO HDx H 1 3.78 0.02 A 83 PRO HGy H 1 2.37 0.02 A 83 PRO HGx H 1 1.96 0.02 A 83 PRO C C 13 176.9 0.2 A 83 PRO CA C 13 62.4 0.2 A 83 PRO CB C 13 32.6 0.2 A 83 PRO CD C 13 51.0 0.2 A 83 PRO CG C 13 28.4 0.2 A 84 THR H H 1 9.55 0.02 A 84 THR HA H 1 4.59 0.02 A 84 THR HB H 1 4.66 0.02 A 84 THR HG2% H 1 1.31 0.02 A 84 THR C C 13 175.0 0.2 A 84 THR CA C 13 59.8 0.2 A 84 THR CB C 13 71.7 0.2 A 84 THR CG2 C 13 22.2 0.2 A 84 THR N N 15 115.3 0.2 A 85 ALA H H 1 8.97 0.02 A 85 ALA HA H 1 4.06 0.02 A 85 ALA HB% H 1 1.50 0.02 A 85 ALA C C 13 180.9 0.2 A 85 ALA CA C 13 55.3 0.2 A 85 ALA CB C 13 18.0 0.2 A 85 ALA N N 15 124.4 0.2 A 86 GLN H H 1 8.68 0.02 A 86 GLN HA H 1 4.12 0.02 A 86 GLN HBy H 1 2.17 0.02 A 86 GLN HBx H 1 2.04 0.02 A 86 GLN HE2y H 1 7.63 0.02 A 86 GLN HE2x H 1 6.99 0.02 A 86 GLN HGy H 1 2.48 0.02 A 86 GLN HGx H 1 2.43 0.02 A 86 GLN CA C 13 58.9 0.2 A 86 GLN CB C 13 28.1 0.2 A 86 GLN CG C 13 34.3 0.2 A 86 GLN N N 15 116.5 0.2 A 86 GLN NE2 N 15 111.9 0.2 A 87 ASP H H 1 7.82 0.02 A 87 ASP HA H 1 4.60 0.02 A 87 ASP HBy H 1 3.01 0.02 A 87 ASP HBx H 1 2.50 0.02 A 87 ASP C C 13 178.2 0.2 A 87 ASP CA C 13 57.8 0.2 A 87 ASP CB C 13 39.7 0.2 A 87 ASP N N 15 122.3 0.2 A 88 ILE H H 1 8.16 0.02 A 88 ILE HA H 1 3.48 0.02 A 88 ILE HB H 1 1.95 0.02 A 88 ILE HD1% H 1 0.88 0.02 A 88 ILE HG1y H 1 1.88 0.02 A 88 ILE HG1x H 1 0.75 0.02 A 88 ILE HG2% H 1 0.91 0.02 A 88 ILE C C 13 177.8 0.2 A 88 ILE CA C 13 65.8 0.2 A 88 ILE CB C 13 38.3 0.2 A 88 ILE CD1 C 13 14.9 0.2 A 88 ILE CG1 C 13 29.6 0.2 A 88 ILE CG2 C 13 16.7 0.2 A 88 ILE N N 15 120.9 0.2 A 89 SER H H 1 7.97 0.02 A 89 SER HA H 1 4.24 0.02 A 89 SER HBx H 1 4.05 0.02 A 89 SER HBy H 1 4.05 0.02 A 89 SER C C 13 177.2 0.2 A 89 SER CA C 13 61.7 0.2 A 89 SER CB C 13 62.7 0.2 A 89 SER N N 15 113.2 0.2 A 90 ARG H H 1 8.45 0.02 A 90 ARG HA H 1 4.11 0.02 A 90 ARG HBy H 1 2.07 0.02 A 90 ARG HBx H 1 2.04 0.02 A 90 ARG HDx H 1 3.31 0.02 A 90 ARG HDy H 1 3.31 0.02 A 90 ARG CA C 13 59.9 0.2 A 90 ARG CB C 13 31.7 0.2 A 90 ARG CD C 13 44.9 0.2 A 90 ARG N N 15 123.1 0.2 A 91 VAL H H 1 8.14 0.02 A 91 VAL HA H 1 3.43 0.02 A 91 VAL HB H 1 2.13 0.02 A 91 VAL HGx% H 1 1.01 0.02 A 91 VAL HGy% H 1 0.78 0.02 A 91 VAL C C 13 177.3 0.2 A 91 VAL CA C 13 66.8 0.2 A 91 VAL CB C 13 31.7 0.2 A 91 VAL CGy C 13 23.6 0.2 A 91 VAL CGx C 13 22.4 0.2 A 91 VAL N N 15 119.2 0.2 A 92 ALA H H 1 9.02 0.02 A 92 ALA HA H 1 3.96 0.02 A 92 ALA HB% H 1 1.48 0.02 A 92 ALA C C 13 179.2 0.2 A 92 ALA CA C 13 55.9 0.2 A 92 ALA CB C 13 18.4 0.2 A 92 ALA N N 15 121.1 0.2 A 93 SER H H 1 8.73 0.02 A 93 SER HA H 1 4.24 0.02 A 93 SER HBx H 1 4.02 0.02 A 93 SER HBy H 1 4.07 0.02 A 93 SER C C 13 177.3 0.2 A 93 SER CA C 13 62.0 0.2 A 93 SER CB C 13 62.7 0.2 A 93 SER N N 15 112.1 0.2 A 94 ARG H H 1 7.52 0.02 A 94 ARG HA H 1 4.26 0.02 A 94 ARG HBy H 1 2.03 0.02 A 94 ARG HBx H 1 1.97 0.02 A 94 ARG HDx H 1 3.26 0.02 A 94 ARG HDy H 1 3.26 0.02 A 94 ARG HGy H 1 1.79 0.02 A 94 ARG HGx H 1 1.73 0.02 A 94 ARG C C 13 179.9 0.2 A 94 ARG CA C 13 57.8 0.2 A 94 ARG CB C 13 29.2 0.2 A 94 ARG CD C 13 41.7 0.2 A 94 ARG CG C 13 27.1 0.2 A 94 ARG N N 15 122.5 0.2 A 95 LEU H H 1 8.35 0.02 A 95 LEU HA H 1 4.24 0.02 A 95 LEU HBx H 1 2.25 0.02 A 95 LEU HBy H 1 2.25 0.02 A 95 LEU HDx% H 1 0.73 0.02 A 95 LEU HDy% H 1 0.51 0.02 A 95 LEU HG H 1 1.48 0.02 A 95 LEU C C 13 179.0 0.2 A 95 LEU CA C 13 58.1 0.2 A 95 LEU CB C 13 41.8 0.2 A 95 LEU CDy C 13 27.7 0.2 A 95 LEU CDx C 13 25.1 0.2 A 95 LEU N N 15 121.5 0.2 A 96 ALA H H 1 8.74 0.02 A 96 ALA HA H 1 4.32 0.02 A 96 ALA HB% H 1 1.55 0.02 A 96 ALA C C 13 182.2 0.2 A 96 ALA CA C 13 55.1 0.2 A 96 ALA CB C 13 18.0 0.2 A 96 ALA N N 15 121.9 0.2 A 97 ALA H H 1 8.19 0.02 A 97 ALA HA H 1 4.23 0.02 A 97 ALA HB% H 1 1.61 0.02 A 97 ALA C C 13 179.2 0.2 A 97 ALA CA C 13 54.6 0.2 A 97 ALA CB C 13 18.0 0.2 A 97 ALA N N 15 121.4 0.2 A 98 GLY H H 1 7.71 0.02 A 98 GLY HAy H 1 4.40 0.02 A 98 GLY HAx H 1 3.88 0.02 A 98 GLY C C 13 173.7 0.2 A 98 GLY CA C 13 44.8 0.2 A 98 GLY N N 15 103.5 0.2 A 99 GLY H H 1 7.71 0.02 A 99 GLY HAy H 1 3.90 0.02 A 99 GLY HAx H 1 3.70 0.02 A 99 GLY CA C 13 45.2 0.2 A 99 GLY N N 15 107.6 0.2 A 100 TRP H H 1 7.82 0.02 A 100 TRP HBy H 1 3.25 0.02 A 100 TRP HBx H 1 2.81 0.02 A 100 TRP HD1 H 1 7.53 0.02 A 100 TRP HE1 H 1 10.25 0.02 A 100 TRP HE3 H 1 7.87 0.02 A 100 TRP HH2 H 1 7.26 0.02 A 100 TRP HZ2 H 1 7.47 0.02 A 100 TRP HZ3 H 1 7.07 0.02 A 100 TRP CB C 13 52.3 0.2 A 100 TRP CD1 C 13 126.5 0.2 A 100 TRP CE3 C 13 120.6 0.2 A 100 TRP CH2 C 13 125.2 0.2 A 100 TRP CZ2 C 13 114.4 0.2 A 100 TRP CZ3 C 13 121.9 0.2 A 100 TRP N N 15 123.6 0.2 A 100 TRP NE1 N 15 128.4 0.2 A 101 PRO HA H 1 3.93 0.02 A 101 PRO HBx H 1 1.89 0.02 A 101 PRO HBy H 1 1.89 0.02 A 101 PRO HDy H 1 3.54 0.02 A 101 PRO HDx H 1 3.41 0.02 A 101 PRO HGy H 1 1.78 0.02 A 101 PRO HGx H 1 1.71 0.02 A 101 PRO C C 13 175.6 0.2 A 101 PRO CA C 13 62.6 0.2 A 101 PRO CB C 13 34.2 0.2 A 101 PRO CD C 13 50.0 0.2 A 101 PRO CG C 13 24.6 0.2 A 102 LEU H H 1 8.47 0.02 A 102 LEU N N 15 122.8 0.2 A 103 ALA HA H 1 4.66 0.02 A 103 ALA HB% H 1 1.27 0.02 A 103 ALA C C 13 177.1 0.2 A 103 ALA CA C 13 51.5 0.2 A 103 ALA CB C 13 21.7 0.2 A 104 GLY H H 1 8.70 0.02 A 104 GLY HAy H 1 4.16 0.02 A 104 GLY HAx H 1 3.83 0.02 A 104 GLY C C 13 173.9 0.2 A 104 GLY CA C 13 45.9 0.2 A 104 GLY N N 15 108.5 0.2 A 105 VAL H H 1 7.66 0.02 A 105 VAL HA H 1 4.22 0.02 A 105 VAL HB H 1 1.99 0.02 A 105 VAL HGx% H 1 0.80 0.02 A 105 VAL HGy% H 1 0.80 0.02 A 105 VAL C C 13 174.7 0.2 A 105 VAL CA C 13 61.0 0.2 A 105 VAL CB C 13 33.1 0.2 A 105 VAL CGx C 13 20.7 0.2 A 105 VAL CGy C 13 20.7 0.2 A 105 VAL N N 15 116.7 0.2 A 106 ASP H H 1 8.60 0.02 A 106 ASP HA H 1 4.67 0.02 A 106 ASP HBy H 1 2.77 0.02 A 106 ASP HBx H 1 2.68 0.02 A 106 ASP C C 13 176.5 0.2 A 106 ASP CA C 13 54.0 0.2 A 106 ASP CB C 13 41.3 0.2 A 106 ASP N N 15 125.1 0.2 A 107 SER H H 1 8.56 0.02 A 107 SER HA H 1 4.32 0.02 A 107 SER HBy H 1 3.97 0.02 A 107 SER HBx H 1 3.86 0.02 A 107 SER C C 13 175.4 0.2 A 107 SER CA C 13 59.5 0.2 A 107 SER CB C 13 63.2 0.2 A 107 SER N N 15 117.4 0.2 A 108 THR H H 1 8.23 0.02 A 108 THR HA H 1 4.26 0.02 A 108 THR HG2% H 1 1.25 0.02 A 108 THR C C 13 174.8 0.2 A 108 THR CA C 13 63.0 0.2 A 108 THR CB C 13 69.3 0.2 A 108 THR CG2 C 13 21.5 0.2 A 108 THR N N 15 115.1 0.2 A 109 ALA H H 1 8.02 0.02 A 109 ALA HA H 1 4.36 0.02 A 109 ALA HB% H 1 1.41 0.02 A 109 ALA C C 13 177.5 0.2 A 109 ALA CA C 13 52.5 0.2 A 109 ALA CB C 13 19.1 0.2 A 109 ALA N N 15 125.0 0.2 A 110 LEU H H 1 7.88 0.02 A 110 LEU HA H 1 4.35 0.02 A 110 LEU HBy H 1 1.68 0.02 A 110 LEU HBx H 1 1.57 0.02 A 110 LEU HDx% H 1 0.89 0.02 A 110 LEU HDy% H 1 0.84 0.02 A 110 LEU HG H 1 1.57 0.02 A 110 LEU C C 13 176.8 0.2 A 110 LEU CA C 13 55.0 0.2 A 110 LEU CB C 13 42.0 0.2 A 110 LEU CDy C 13 25.0 0.2 A 110 LEU CDx C 13 23.3 0.2 A 110 LEU CG C 13 26.7 0.2 A 110 LEU N N 15 119.4 0.2 A 111 ASN H H 1 8.23 0.02 A 111 ASN HA H 1 4.73 0.02 A 111 ASN HBy H 1 2.85 0.02 A 111 ASN HBx H 1 2.74 0.02 A 111 ASN HD2y H 1 7.62 0.02 A 111 ASN HD2x H 1 6.91 0.02 A 111 ASN C C 13 173.6 0.2 A 111 ASN CA C 13 52.9 0.2 A 111 ASN CB C 13 39.0 0.2 A 111 ASN N N 15 118.7 0.2 A 111 ASN ND2 N 15 112.8 0.2 A 112 ALA H H 1 7.84 0.02 A 112 ALA HA H 1 4.13 0.02 A 112 ALA HB% H 1 1.34 0.02 A 112 ALA CA C 13 53.8 0.2 A 112 ALA CB C 13 20.2 0.2 A 112 ALA N N 15 129.3 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 18 GLY HAx A 19 PRO HDy 1.0 1.8 3.58 2 2 A 104 GLY HAy A 105 VAL HGx% 1.0 1.8 5.61 3 3 A 105 VAL HGy% A 104 GLY HAy 1.0 1.8 5.61 4 4 A 104 GLY HAx A 105 VAL HGx% 1.0 1.8 5.61 5 5 A 104 GLY HAx A 105 VAL HGy% 1.0 1.8 5.61 6 6 A 24 GLY H A 23 GLU HBx 1.0 1.8 4.99 7 7 A 24 GLY H A 23 GLU HBy 1.0 1.8 4.99 8 8 A 23 GLU H A 22 PRO HBx 1.0 1.8 4.69 9 9 A 23 GLU H A 22 PRO HBy 1.0 1.8 4.69 10 10 A 31 PHE HBy A 32 PRO HDx 1.0 1.8 5.02 11 11 A 31 PHE HBx A 32 PRO HDx 1.0 1.8 5.02 12 12 A 32 PRO HDy A 31 PHE HBy 1.0 1.8 5.02 13 13 A 31 PHE HBx A 32 PRO HDy 1.0 1.8 5.02 14 14 A 33 LEU H A 32 PRO HDy 1.0 1.8 4.59 15 15 A 30 ARG H A 29 ASP HBx 1.0 1.8 5.24 16 16 A 30 ARG H A 29 ASP HBy 1.0 1.8 5.24 17 17 A 28 THR HA A 28 THR HG2% 1.0 1.8 2.74 18 18 A 28 THR HB A 29 ASP H 1.0 1.8 4.32 19 19 A 25 VAL HA A 26 PRO HDy 1.0 1.8 3.29 20 20 A 25 VAL HA A 26 PRO HDx 1.0 1.8 3.29 21 21 A 30 ARG HA A 30 ARG HGx 1.0 1.8 4.30 22 22 A 30 ARG HA A 30 ARG HGy 1.0 1.8 4.30 23 23 A 30 ARG HA A 30 ARG HDx 1.0 1.8 5.51 24 24 A 30 ARG HA A 30 ARG HDy 1.0 1.8 5.51 25 25 A 33 LEU H A 31 PHE HBy 1.0 1.8 4.96 26 26 A 33 LEU H A 31 PHE HBx 1.0 1.8 4.96 27 27 A 33 LEU HA A 33 LEU HG 1.0 1.8 3.81 28 28 A 34 LEU HA A 34 LEU HDx% 1.0 1.8 4.39 29 29 A 97 ALA HB% A 98 GLY H 1.0 1.8 3.69 30 30 A 97 ALA HB% A 94 ARG HDx 1.0 1.8 5.61 31 31 A 97 ALA HB% A 94 ARG HDy 1.0 1.8 5.61 32 32 A 38 ARG HA A 38 ARG HDy 1.0 1.8 4.60 33 33 A 38 ARG HA A 38 ARG HDx 1.0 1.8 4.60 34 34 A 39 ARG H A 38 ARG HDy 1.0 1.8 5.23 35 35 A 39 ARG H A 38 ARG HDx 1.0 1.8 5.23 36 36 A 39 ARG HA A 39 ARG HDx 1.0 1.8 5.61 37 37 A 39 ARG HA A 39 ARG HDy 1.0 1.8 5.61 38 38 A 39 ARG HA A 40 THR HG2% 1.0 1.8 5.30 39 39 A 40 THR H A 39 ARG HGy 1.0 1.8 4.97 40 40 A 39 ARG H A 39 ARG HDx 1.0 1.8 5.61 41 41 A 39 ARG H A 39 ARG HDy 1.0 1.8 5.61 42 42 A 40 THR HG2% A 40 THR H 1.0 1.8 3.67 43 43 A 38 ARG HA A 40 THR H 1.0 1.8 4.80 44 44 A 41 LEU HBx A 42 THR H 1.0 1.8 5.61 45 45 A 41 LEU HG A 49 VAL H 1.0 1.8 5.61 46 46 A 41 LEU HG A 46 VAL HA 1.0 1.8 4.49 47 47 A 41 LEU HG A 49 VAL HB 1.0 1.8 5.61 48 48 A 41 LEU HDx% A 79 THR H 1.0 1.8 5.24 49 49 A 41 LEU HDx% A 41 LEU HA 1.0 1.8 4.08 50 50 A 41 LEU HDx% A 78 VAL HA 1.0 1.8 5.33 51 51 A 41 LEU HDx% A 79 THR HB 1.0 1.8 5.61 52 52 A 46 VAL HA A 41 LEU HDy% 1.0 1.8 4.90 53 53 A 41 LEU HDx% A 78 VAL HB 1.0 1.8 3.94 54 54 A 41 LEU HDx% A 45 GLN HBy 1.0 1.8 3.94 55 55 A 41 LEU HBx A 41 LEU HDy% 1.0 1.8 4.27 56 56 A 41 LEU HDy% A 78 VAL HGy% 1.0 1.8 3.56 57 57 A 42 THR HA A 42 THR HG2% 1.0 1.8 4.06 58 58 A 42 THR HG2% A 44 GLU H 1.0 1.8 3.69 59 59 A 41 LEU HA A 42 THR HG2% 1.0 1.8 4.15 60 60 A 43 GLU HA A 112 ALA H 1.0 1.8 5.61 61 61 A 43 GLU HA A 43 GLU HGy 1.0 1.8 3.96 62 62 A 43 GLU HA A 43 GLU HGx 1.0 1.8 3.96 63 63 A 43 GLU HA A 46 VAL HGy% 1.0 1.8 4.46 64 64 A 112 ALA H A 43 GLU HBx 1.0 1.8 4.44 65 65 A 112 ALA H A 43 GLU HGx 1.0 1.8 4.45 66 66 A 112 ALA H A 43 GLU HGy 1.0 1.8 4.45 67 67 A 44 GLU HA A 47 GLN H 1.0 1.8 4.47 68 68 A 44 GLU HA A 44 GLU HGy 1.0 1.8 3.70 69 69 A 112 ALA H A 43 GLU HBy 1.0 1.8 4.44 70 70 A 44 GLU H A 44 GLU HBy 1.0 1.8 4.25 71 71 A 44 GLU HA A 44 GLU HGx 1.0 1.8 3.70 72 72 A 44 GLU H A 45 GLN HA 1.0 1.8 5.57 73 73 A 45 GLN HA A 48 GLU HGy 1.0 1.8 4.06 74 74 A 45 GLN HA A 48 GLU HBy 1.0 1.8 3.43 75 75 A 45 GLN HA A 78 VAL HGx% 1.0 1.8 4.43 76 76 A 78 VAL HGx% A 45 GLN HGy 1.0 1.8 4.62 77 77 A 42 THR HG2% A 45 GLN HGx 1.0 1.8 4.92 78 78 A 42 THR HG2% A 45 GLN HGy 1.0 1.8 4.92 79 79 A 44 GLU H A 45 GLN HGx 1.0 1.8 5.61 80 80 A 44 GLU H A 45 GLN HGy 1.0 1.8 5.61 81 81 A 41 LEU HG A 45 GLN HBy 1.0 1.8 3.67 82 82 A 46 VAL HA A 49 VAL HB 1.0 1.8 3.89 83 83 A 46 VAL HA A 46 VAL HGy% 1.0 1.8 3.23 84 84 A 46 VAL HA A 41 LEU HBy 1.0 1.8 4.86 85 85 A 46 VAL HA A 46 VAL HGx% 1.0 1.8 3.23 86 86 A 43 GLU HA A 46 VAL HGx% 1.0 1.8 4.46 87 87 A 47 GLN H A 46 VAL HGx% 1.0 1.8 4.08 88 88 A 43 GLU HA A 46 VAL HB 1.0 1.8 3.92 89 89 A 47 GLN HA A 50 VAL H 1.0 1.8 4.06 90 90 A 47 GLN HA A 47 GLN HGx 1.0 1.8 4.01 91 91 A 47 GLN HA A 47 GLN HGy 1.0 1.8 3.70 92 92 A 47 GLN HA A 50 VAL HGx% 1.0 1.8 4.93 93 93 A 48 GLU H A 47 GLN HBy 1.0 1.8 4.20 94 94 A 48 GLU H A 47 GLN HBx 1.0 1.8 4.20 95 95 A 47 GLN H A 47 GLN HBx 1.0 1.8 3.74 96 96 A 44 GLU HA A 47 GLN HGx 1.0 1.8 4.27 97 97 A 43 GLU HA A 47 GLN HGy 1.0 1.8 5.30 98 98 A 44 GLU HA A 47 GLN HGy 1.0 1.8 5.61 99 99 A 47 GLN H A 47 GLN HGx 1.0 1.8 3.53 100 100 A 47 GLN H A 47 GLN HGy 1.0 1.8 3.61 101 101 A 47 GLN HGy A 48 GLU H 1.0 1.8 4.67 102 102 A 47 GLN HGx A 46 VAL H 1.0 1.8 5.54 103 103 A 47 GLN HGx A 48 GLU H 1.0 1.8 4.93 104 104 A 47 GLN HGy A 46 VAL H 1.0 1.8 5.29 105 105 A 49 VAL H A 48 GLU HGx 1.0 1.8 4.44 106 106 A 48 GLU H A 48 GLU HGx 1.0 1.8 4.53 107 107 A 48 GLU HGy A 48 GLU H 1.0 1.8 3.93 108 108 A 48 GLU HGy A 48 GLU HA 1.0 1.8 3.84 109 109 A 48 GLU HGx A 48 GLU HA 1.0 1.8 3.98 110 110 A 45 GLN HA A 48 GLU HGx 1.0 1.8 4.83 111 111 A 48 GLU HGy A 51 ALA HB% 1.0 1.8 5.61 112 112 A 48 GLU HGy A 49 VAL HGx% 1.0 1.8 5.35 113 113 A 78 VAL HGy% A 48 GLU HGy 1.0 1.8 5.55 114 114 A 48 GLU HGx A 49 VAL HGx% 1.0 1.8 5.61 115 115 A 78 VAL HGy% A 48 GLU HGx 1.0 1.8 5.61 116 116 A 48 GLU HGx A 51 ALA HB% 1.0 1.8 5.00 117 117 A 49 VAL HA A 53 LEU H 1.0 1.8 4.99 118 118 A 49 VAL HA A 53 LEU HBx 1.0 1.8 5.18 119 119 A 41 LEU HDy% A 49 VAL HA 1.0 1.8 5.61 120 120 A 49 VAL HB A 50 VAL H 1.0 1.8 3.65 121 121 A 49 VAL HB A 91 VAL HGy% 1.0 1.8 3.24 122 122 A 49 VAL HB A 41 LEU HDy% 1.0 1.8 4.48 123 123 A 49 VAL HB A 91 VAL HGx% 1.0 1.8 4.81 124 124 A 49 VAL HA A 49 VAL HGy% 1.0 1.8 3.26 125 125 A 49 VAL HGy% A 75 ILE HA 1.0 1.8 3.84 126 126 A 49 VAL H A 49 VAL HGy% 1.0 1.8 3.15 127 127 A 50 VAL H A 49 VAL HGy% 1.0 1.8 3.93 128 128 A 49 VAL HGy% A 52 LYS H 1.0 1.8 5.61 129 129 A 49 VAL HGy% A 78 VAL H 1.0 1.8 4.95 130 130 A 46 VAL HA A 49 VAL HGy% 1.0 1.8 4.18 131 131 A 49 VAL HGy% A 50 VAL HA 1.0 1.8 5.54 132 132 A 45 GLN HBy A 49 VAL HGy% 1.0 1.8 4.26 133 133 A 41 LEU HDy% A 49 VAL HGy% 1.0 1.8 2.85 134 134 A 49 VAL HGx% A 49 VAL HA 1.0 1.8 4.31 135 135 A 78 VAL HGy% A 78 VAL H 1.0 1.8 3.08 136 136 A 49 VAL H A 49 VAL HGx% 1.0 1.8 4.74 137 137 A 49 VAL HGx% A 75 ILE H 1.0 1.8 5.21 138 138 A 53 LEU HBx A 50 VAL HA 1.0 1.8 3.57 139 139 A 50 VAL HA A 53 LEU HG 1.0 1.8 3.84 140 140 A 50 VAL HB A 95 LEU H 1.0 1.8 4.56 141 141 A 47 GLN HA A 50 VAL HB 1.0 1.8 4.59 142 142 A 94 ARG HA A 50 VAL HGy% 1.0 1.8 5.46 143 143 A 47 GLN HA A 50 VAL HGy% 1.0 1.8 4.93 144 144 A 50 VAL HA A 50 VAL HGy% 1.0 1.8 3.45 145 145 A 94 ARG HGy A 50 VAL HGy% 1.0 1.8 4.27 146 146 A 94 ARG HBx A 50 VAL HGy% 1.0 1.8 4.14 147 147 A 50 VAL H A 50 VAL HGx% 1.0 1.8 3.91 148 148 A 94 ARG HA A 50 VAL HGx% 1.0 1.8 5.46 149 149 A 50 VAL HA A 50 VAL HGx% 1.0 1.8 3.45 150 150 A 94 ARG HBx A 50 VAL HGx% 1.0 1.8 4.14 151 151 A 94 ARG HGy A 50 VAL HGx% 1.0 1.8 4.27 152 152 A 50 VAL HB A 51 ALA HA 1.0 1.8 4.99 153 153 A 51 ALA HB% A 51 ALA H 1.0 1.8 2.88 154 154 A 54 THR HA A 54 THR HG2% 1.0 1.8 4.05 155 155 A 53 LEU HA A 53 LEU HDx% 1.0 1.8 5.07 156 156 A 53 LEU H A 53 LEU HG 1.0 1.8 4.75 157 157 A 56 PRO HA A 58 SER H 1.0 1.8 4.88 158 158 A 57 GLU H A 56 PRO HBy 1.0 1.8 4.45 159 159 A 57 GLU H A 56 PRO HBx 1.0 1.8 4.45 160 160 A 11 THR HA A 11 THR HG2% 1.0 1.8 3.45 161 161 A 59 SER HA A 62 ILE HG1x 1.0 1.8 4.53 162 162 A 59 SER HA A 62 ILE HG1y 1.0 1.8 4.53 163 163 A 61 GLN HA A 65 VAL H 1.0 1.8 5.60 164 164 A 61 GLN HA A 64 GLY H 1.0 1.8 5.28 165 165 A 62 ILE HA A 62 ILE HG2% 1.0 1.8 3.68 166 166 A 62 ILE H A 62 ILE HG1y 1.0 1.8 4.63 167 167 A 62 ILE HG2% A 62 ILE H 1.0 1.8 4.39 168 168 A 62 ILE HG2% A 63 ASP H 1.0 1.8 4.51 169 169 A 62 ILE HA A 62 ILE HD1% 1.0 1.8 4.52 170 170 A 62 ILE HD1% A 59 SER HBx 1.0 1.8 5.61 171 171 A 62 ILE HD1% A 59 SER HBy 1.0 1.8 5.61 172 172 A 59 SER HA A 62 ILE HD1% 1.0 1.8 3.94 173 173 A 62 ILE H A 62 ILE HD1% 1.0 1.8 4.79 174 174 A 62 ILE HD1% A 74 PHE HEx 1.0 1.8 5.09 175 175 A 65 VAL HB A 66 VAL H 1.0 1.8 4.77 176 176 A 65 VAL H A 65 VAL HGx% 1.0 1.8 4.73 177 177 A 65 VAL H A 65 VAL HGy% 1.0 1.8 4.73 178 178 A 66 VAL H A 65 VAL HGx% 1.0 1.8 4.74 179 179 A 66 VAL H A 65 VAL HGy% 1.0 1.8 4.74 180 180 A 67 SER HA A 69 ASP H 1.0 1.8 4.47 181 181 A 70 GLU H A 69 ASP HBy 1.0 1.8 4.69 182 182 A 70 GLU H A 69 ASP HBx 1.0 1.8 4.69 183 183 A 74 PHE HA A 77 ASP HBy 1.0 1.8 4.03 184 184 A 74 PHE HA A 77 ASP HBx 1.0 1.8 4.03 185 185 A 77 ASP H A 77 ASP HBx 1.0 1.8 3.64 186 186 A 78 VAL HGy% A 77 ASP HBy 1.0 1.8 4.35 187 187 A 78 VAL HGy% A 77 ASP HBx 1.0 1.8 4.35 188 188 A 70 GLU HA A 70 GLU HGx 1.0 1.8 4.11 189 189 A 70 GLU HA A 70 GLU HGy 1.0 1.8 4.11 190 190 A 71 ILE HG2% A 71 ILE HG1x 1.0 1.8 4.17 191 191 A 71 ILE HG2% A 71 ILE HG1y 1.0 1.8 4.17 192 192 A 71 ILE HG2% A 88 ILE H 1.0 1.8 4.61 193 193 A 53 LEU HG A 71 ILE HG2% 1.0 1.8 4.03 194 194 A 71 ILE HG2% A 75 ILE HD1% 1.0 1.8 2.95 195 195 A 71 ILE HG2% A 91 VAL HB 1.0 1.8 3.90 196 196 A 71 ILE HB A 71 ILE HD1% 1.0 1.8 3.26 197 197 A 71 ILE HD1% A 92 ALA HB% 1.0 1.8 3.30 198 198 A 71 ILE HG2% A 71 ILE HD1% 1.0 1.8 2.71 199 199 A 71 ILE HD1% A 92 ALA HA 1.0 1.8 3.98 200 200 A 71 ILE HD1% A 71 ILE H 1.0 1.8 3.77 201 201 A 71 ILE HD1% A 72 GLU H 1.0 1.8 4.39 202 202 A 71 ILE HD1% A 92 ALA H 1.0 1.8 4.74 203 203 A 71 ILE HG2% A 71 ILE HA 1.0 1.8 3.63 204 204 A 71 ILE HD1% A 71 ILE HA 1.0 1.8 4.09 205 205 A 53 LEU HG A 71 ILE HA 1.0 1.8 3.65 206 206 A 72 GLU HA A 76 ALA H 1.0 1.8 4.91 207 207 A 71 ILE H A 72 GLU HA 1.0 1.8 5.61 208 208 A 72 GLU HA A 72 GLU HGy 1.0 1.8 4.05 209 209 A 72 GLU HA A 83 PRO HGx 1.0 1.8 4.43 210 210 A 72 GLU HA A 75 ILE HB 1.0 1.8 3.61 211 211 A 72 GLU HA A 88 ILE HD1% 1.0 1.8 4.14 212 212 A 75 ILE HD1% A 72 GLU HA 1.0 1.8 3.94 213 213 A 88 ILE HD1% A 72 GLU HBy 1.0 1.8 4.70 214 214 A 88 ILE HD1% A 72 GLU HBx 1.0 1.8 4.70 215 215 A 69 ASP HA A 72 GLU HBx 1.0 1.8 5.61 216 216 A 69 ASP HA A 72 GLU HBy 1.0 1.8 5.61 217 217 A 73 LYS H A 72 GLU HBx 1.0 1.8 4.45 218 218 A 71 ILE H A 72 GLU HGy 1.0 1.8 5.27 219 219 A 72 GLU HA A 72 GLU HGx 1.0 1.8 4.19 220 220 A 75 ILE HD1% A 72 GLU HGy 1.0 1.8 4.87 221 221 A 71 ILE HB A 88 ILE HG1y 1.0 1.8 4.53 222 222 A 72 GLU HGx A 88 ILE HG1y 1.0 1.8 4.90 223 223 A 71 ILE HG2% A 74 PHE HBx 1.0 1.8 5.48 224 224 A 71 ILE HG2% A 74 PHE HBy 1.0 1.8 5.48 225 225 A 78 VAL HB A 75 ILE HA 1.0 1.8 4.31 226 226 A 41 LEU HDy% A 75 ILE HA 1.0 1.8 3.60 227 227 A 78 VAL HGy% A 75 ILE HA 1.0 1.8 3.64 228 228 A 83 PRO HGx A 75 ILE HB 1.0 1.8 4.44 229 229 A 75 ILE HB A 83 PRO HBx 1.0 1.8 4.45 230 230 A 75 ILE HA A 75 ILE HD1% 1.0 1.8 4.13 231 231 A 75 ILE HD1% A 91 VAL HB 1.0 1.8 3.58 232 232 A 75 ILE HD1% A 75 ILE HB 1.0 1.8 3.27 233 233 A 91 VAL HGy% A 75 ILE HD1% 1.0 1.8 2.72 234 234 A 41 LEU HDy% A 75 ILE HG2% 1.0 1.8 2.99 235 235 A 75 ILE HD1% A 75 ILE HG2% 1.0 1.8 3.19 236 236 A 75 ILE HG2% A 76 ALA HB% 1.0 1.8 3.98 237 237 A 75 ILE HG2% A 87 ASP HBx 1.0 1.8 4.59 238 238 A 75 ILE HA A 75 ILE HG2% 1.0 1.8 3.61 239 239 A 75 ILE HG2% A 76 ALA HA 1.0 1.8 4.92 240 240 A 76 ALA HB% A 77 ASP HA 1.0 1.8 4.02 241 241 A 76 ALA HB% A 83 PRO HDx 1.0 1.8 4.34 242 242 A 83 PRO HGx A 76 ALA HB% 1.0 1.8 3.81 243 243 A 75 ILE HB A 76 ALA HB% 1.0 1.8 4.46 244 244 A 77 ASP H A 76 ALA HB% 1.0 1.8 3.44 245 245 A 76 ALA H A 76 ALA HB% 1.0 1.8 2.92 246 246 A 76 ALA HB% A 80 LYS H 1.0 1.8 4.69 247 247 A 78 VAL HA A 78 VAL HGy% 1.0 1.8 3.12 248 248 A 79 THR H A 78 VAL HB 1.0 1.8 4.27 249 249 A 83 PRO HBx A 75 ILE HG2% 1.0 1.8 3.47 250 250 A 41 LEU HA A 78 VAL HB 1.0 1.8 5.61 251 251 A 45 GLN HBy A 78 VAL HGx% 1.0 1.8 3.60 252 252 A 78 VAL HGx% A 45 GLN HGx 1.0 1.8 4.62 253 253 A 48 GLU HGy A 78 VAL HGx% 1.0 1.8 4.79 254 254 A 78 VAL HA A 78 VAL HGx% 1.0 1.8 3.18 255 255 A 79 THR HA A 81 ASP H 1.0 1.8 5.03 256 256 A 79 THR HA A 79 THR HG2% 1.0 1.8 3.60 257 257 A 79 THR H A 79 THR HB 1.0 1.8 4.05 258 258 A 79 THR HB A 80 LYS H 1.0 1.8 4.48 259 259 A 40 THR H A 79 THR HB 1.0 1.8 5.61 260 260 A 79 THR HB A 78 VAL HB 1.0 1.8 5.16 261 261 A 79 THR HB A 78 VAL HGx% 1.0 1.8 4.63 262 262 A 78 VAL HB A 80 LYS HA 1.0 1.8 5.14 263 263 A 75 ILE HB A 80 LYS HBy 1.0 1.8 5.61 264 264 A 75 ILE HB A 80 LYS HBx 1.0 1.8 4.91 265 265 A 78 VAL HB A 80 LYS HBx 1.0 1.8 5.50 266 266 A 83 PRO HBx A 80 LYS HBx 1.0 1.8 5.61 267 267 A 78 VAL HB A 80 LYS HBy 1.0 1.8 5.19 268 268 A 83 PRO HBx A 80 LYS HGx 1.0 1.8 5.19 269 269 A 83 PRO HBx A 80 LYS HGy 1.0 1.8 5.02 270 270 A 75 ILE HB A 80 LYS HGy 1.0 1.8 4.94 271 271 A 75 ILE HB A 80 LYS HGx 1.0 1.8 5.61 272 272 A 81 ASP HBy A 82 GLU HBy 1.0 1.8 5.61 273 273 A 82 GLU HBy A 81 ASP HBx 1.0 1.8 4.34 274 274 A 79 THR HA A 81 ASP HBy 1.0 1.8 5.00 275 275 A 81 ASP H A 81 ASP HBy 1.0 1.8 4.12 276 276 A 82 GLU HA A 83 PRO HDy 1.0 1.8 4.09 277 277 A 76 ALA HB% A 82 GLU HA 1.0 1.8 5.57 278 278 A 82 GLU HBy A 82 GLU H 1.0 1.8 3.56 279 279 A 82 GLU H A 82 GLU HBx 1.0 1.8 3.53 280 280 A 82 GLU HBy A 83 PRO HDy 1.0 1.8 5.22 281 281 A 82 GLU HBx A 83 PRO HDy 1.0 1.8 5.00 282 282 A 82 GLU HBx A 83 PRO HDx 1.0 1.8 5.00 283 283 A 82 GLU HBy A 83 PRO HDx 1.0 1.8 5.22 284 284 A 75 ILE HG2% A 83 PRO HA 1.0 1.8 5.17 285 285 A 72 GLU HA A 83 PRO HBx 1.0 1.8 4.69 286 286 A 72 GLU HA A 83 PRO HBy 1.0 1.8 4.53 287 287 A 75 ILE HG2% A 83 PRO HBy 1.0 1.8 3.98 288 288 A 76 ALA H A 83 PRO HGy 1.0 1.8 5.61 289 289 A 72 GLU HA A 83 PRO HGy 1.0 1.8 5.00 290 290 A 83 PRO HGx A 75 ILE HG2% 1.0 1.8 4.24 291 291 A 83 PRO HGx A 88 ILE HD1% 1.0 1.8 5.02 292 292 A 75 ILE HD1% A 83 PRO HGy 1.0 1.8 5.34 293 293 A 88 ILE HD1% A 83 PRO HGy 1.0 1.8 4.73 294 294 A 75 ILE HG2% A 83 PRO HGy 1.0 1.8 4.91 295 295 A 76 ALA HB% A 83 PRO HGy 1.0 1.8 4.52 296 296 A 76 ALA HB% A 83 PRO HDy 1.0 1.8 4.34 297 297 A 82 GLU HA A 83 PRO HDx 1.0 1.8 4.09 298 298 A 84 THR HA A 84 THR HG2% 1.0 1.8 4.17 299 299 A 84 THR HG2% A 86 GLN H 1.0 1.8 4.40 300 300 A 88 ILE H A 84 THR HG2% 1.0 1.8 4.39 301 301 A 84 THR HG2% A 87 ASP HA 1.0 1.8 4.72 302 302 A 88 ILE HD1% A 85 ALA HA 1.0 1.8 3.35 303 303 A 85 ALA HA A 88 ILE HB 1.0 1.8 3.70 304 304 A 84 THR HA A 85 ALA HB% 1.0 1.8 4.55 305 305 A 86 GLN HA A 86 GLN HGx 1.0 1.8 3.84 306 306 A 51 ALA HB% A 52 LYS HA 1.0 1.8 4.08 307 307 A 85 ALA HB% A 86 GLN HBy 1.0 1.8 4.81 308 308 A 85 ALA HB% A 86 GLN HBx 1.0 1.8 5.18 309 309 A 86 GLN H A 86 GLN HGy 1.0 1.8 4.73 310 310 A 86 GLN H A 86 GLN HGx 1.0 1.8 4.73 311 311 A 86 GLN HA A 86 GLN HGy 1.0 1.8 3.84 312 312 A 86 GLN HGy A 90 ARG HDx 1.0 1.8 5.29 313 313 A 90 ARG HDy A 86 GLN HGy 1.0 1.8 5.29 314 314 A 86 GLN HGx A 90 ARG HDx 1.0 1.8 5.29 315 315 A 90 ARG HDy A 86 GLN HGx 1.0 1.8 5.29 316 316 A 75 ILE HG2% A 87 ASP HBy 1.0 1.8 4.59 317 317 A 75 ILE HD1% A 87 ASP HBy 1.0 1.8 3.79 318 318 A 75 ILE HD1% A 87 ASP HBx 1.0 1.8 3.79 319 319 A 75 ILE HD1% A 87 ASP HA 1.0 1.8 5.04 320 320 A 91 VAL HB A 88 ILE HA 1.0 1.8 4.24 321 321 A 75 ILE HD1% A 88 ILE HA 1.0 1.8 3.40 322 322 A 71 ILE HG2% A 88 ILE HA 1.0 1.8 3.42 323 323 A 92 ALA H A 88 ILE HA 1.0 1.8 5.08 324 324 A 88 ILE H A 88 ILE HG1y 1.0 1.8 4.41 325 325 A 58 SER H A 57 GLU HBx 1.0 1.8 4.69 326 326 A 88 ILE H A 88 ILE HG2% 1.0 1.8 4.01 327 327 A 72 GLU H A 88 ILE HG2% 1.0 1.8 5.02 328 328 A 88 ILE HG2% A 89 SER HA 1.0 1.8 4.49 329 329 A 85 ALA HA A 88 ILE HG2% 1.0 1.8 4.36 330 330 A 88 ILE HA A 88 ILE HG2% 1.0 1.8 3.51 331 331 A 92 ALA HB% A 88 ILE HG2% 1.0 1.8 3.58 332 332 A 72 GLU H A 88 ILE HD1% 1.0 1.8 4.63 333 333 A 88 ILE HD1% A 89 SER H 1.0 1.8 4.47 334 334 A 88 ILE HD1% A 88 ILE HA 1.0 1.8 4.13 335 335 A 72 GLU HGy A 88 ILE HD1% 1.0 1.8 3.69 336 336 A 88 ILE HD1% A 83 PRO HBy 1.0 1.8 2.96 337 337 A 88 ILE HD1% A 85 ALA HB% 1.0 1.8 4.30 338 338 A 75 ILE HD1% A 88 ILE HD1% 1.0 1.8 2.85 339 339 A 88 ILE HG2% A 89 SER HBx 1.0 1.8 4.42 340 340 A 90 ARG HA A 93 SER H 1.0 1.8 4.44 341 341 A 92 ALA H A 90 ARG HA 1.0 1.8 5.12 342 342 A 90 ARG HA A 90 ARG HDx 1.0 1.8 5.51 343 343 A 90 ARG HA A 90 ARG HDy 1.0 1.8 5.51 344 344 A 90 ARG HA A 46 VAL HGx% 1.0 1.8 5.61 345 345 A 90 ARG HA A 46 VAL HGy% 1.0 1.8 5.61 346 346 A 95 LEU H A 91 VAL HA 1.0 1.8 4.69 347 347 A 94 ARG HGy A 91 VAL HA 1.0 1.8 4.49 348 348 A 91 VAL HGx% A 91 VAL HA 1.0 1.8 3.30 349 349 A 49 VAL H A 91 VAL HGy% 1.0 1.8 5.61 350 350 A 91 VAL HGy% A 75 ILE H 1.0 1.8 5.61 351 351 A 91 VAL HGy% A 92 ALA H 1.0 1.8 4.08 352 352 A 91 VAL HGy% A 90 ARG H 1.0 1.8 4.72 353 353 A 91 VAL HGy% A 91 VAL HA 1.0 1.8 3.06 354 354 A 91 VAL HGy% A 94 ARG HGy 1.0 1.8 4.51 355 355 A 91 VAL HGx% A 93 SER H 1.0 1.8 4.90 356 356 A 49 VAL H A 91 VAL HGx% 1.0 1.8 5.61 357 357 A 91 VAL HGx% A 75 ILE H 1.0 1.8 5.61 358 358 A 50 VAL H A 91 VAL HGx% 1.0 1.8 4.40 359 359 A 91 VAL HGx% A 95 LEU H 1.0 1.8 4.76 360 360 A 91 VAL HGx% A 91 VAL H 1.0 1.8 3.88 361 361 A 91 VAL HGx% A 50 VAL HA 1.0 1.8 4.25 362 362 A 91 VAL HGx% A 92 ALA HA 1.0 1.8 4.65 363 363 A 91 VAL HGx% A 94 ARG HGy 1.0 1.8 4.82 364 364 A 91 VAL HGx% A 53 LEU HG 1.0 1.8 3.51 365 365 A 92 ALA HA A 95 LEU HBx 1.0 1.8 5.50 366 366 A 92 ALA HA A 95 LEU HBy 1.0 1.8 5.50 367 367 A 94 ARG HGy A 92 ALA HA 1.0 1.8 5.61 368 368 A 92 ALA HA A 95 LEU HG 1.0 1.8 3.76 369 369 A 71 ILE HG2% A 92 ALA HA 1.0 1.8 4.18 370 370 A 92 ALA HA A 95 LEU HDx% 1.0 1.8 3.37 371 371 A 92 ALA HB% A 92 ALA H 1.0 1.8 2.98 372 372 A 92 ALA HB% A 89 SER HA 1.0 1.8 3.39 373 373 A 71 ILE HG2% A 92 ALA HB% 1.0 1.8 3.44 374 374 A 92 ALA HB% A 95 LEU HDx% 1.0 1.8 3.09 375 375 A 92 ALA H A 93 SER HA 1.0 1.8 5.48 376 376 A 93 SER HA A 97 ALA H 1.0 1.8 4.77 377 377 A 95 LEU H A 93 SER HA 1.0 1.8 5.16 378 378 A 93 SER HA A 96 ALA HB% 1.0 1.8 3.50 379 379 A 94 ARG H A 93 SER HBx 1.0 1.8 4.12 380 380 A 93 SER H A 93 SER HBx 1.0 1.8 3.57 381 381 A 96 ALA HB% A 93 SER HBy 1.0 1.8 5.15 382 382 A 96 ALA HB% A 93 SER HBx 1.0 1.8 5.15 383 383 A 94 ARG HA A 96 ALA H 1.0 1.8 4.79 384 384 A 97 ALA HB% A 94 ARG HA 1.0 1.8 3.58 385 385 A 94 ARG H A 94 ARG HDx 1.0 1.8 5.32 386 386 A 94 ARG H A 94 ARG HDy 1.0 1.8 5.32 387 387 A 94 ARG H A 94 ARG HGx 1.0 1.8 4.07 388 388 A 50 VAL H A 94 ARG HGx 1.0 1.8 5.43 389 389 A 95 LEU H A 94 ARG HGx 1.0 1.8 5.61 390 390 A 94 ARG HA A 94 ARG HGy 1.0 1.8 4.11 391 391 A 94 ARG HA A 94 ARG HGx 1.0 1.8 4.10 392 392 A 91 VAL HA A 94 ARG HBy 1.0 1.8 4.50 393 393 A 94 ARG HBx A 91 VAL HA 1.0 1.8 4.83 394 394 A 94 ARG H A 94 ARG HBy 1.0 1.8 3.69 395 395 A 95 LEU H A 94 ARG HBy 1.0 1.8 4.12 396 396 A 91 VAL HGx% A 94 ARG HBy 1.0 1.8 3.89 397 397 A 95 LEU HA A 95 LEU HDy% 1.0 1.8 4.05 398 398 A 95 LEU HDx% A 95 LEU HA 1.0 1.8 5.32 399 399 A 53 LEU HDx% A 95 LEU HBx 1.0 1.8 5.61 400 400 A 53 LEU HDx% A 95 LEU HBy 1.0 1.8 5.61 401 401 A 94 ARG H A 95 LEU HDy% 1.0 1.8 4.65 402 402 A 94 ARG HGy A 95 LEU HDy% 1.0 1.8 4.78 403 403 A 71 ILE HG2% A 95 LEU HDy% 1.0 1.8 3.56 404 404 A 95 LEU HDx% A 94 ARG HBy 1.0 1.8 5.51 405 405 A 53 LEU HDx% A 95 LEU HDx% 1.0 1.8 4.53 406 406 A 34 LEU HA A 34 LEU HDy% 1.0 1.8 4.39 407 407 A 97 ALA H A 96 ALA HB% 1.0 1.8 3.19 408 408 A 97 ALA HB% A 98 GLY HAy 1.0 1.8 5.20 409 409 A 97 ALA HB% A 98 GLY HAx 1.0 1.8 5.20 410 410 A 105 VAL HA A 105 VAL HGx% 1.0 1.8 3.94 411 411 A 105 VAL HA A 105 VAL HGy% 1.0 1.8 3.94 412 412 A 109 ALA HB% A 106 ASP HBy 1.0 1.8 4.74 413 413 A 109 ALA HB% A 106 ASP HBx 1.0 1.8 4.74 414 414 A 107 SER HA A 110 LEU H 1.0 1.8 5.24 415 415 A 110 LEU H A 111 ASN HBx 1.0 1.8 5.54 416 416 A 110 LEU H A 111 ASN HBy 1.0 1.8 5.54 417 417 A 112 ALA H A 112 ALA HB% 1.0 1.8 3.29 418 418 A 18 GLY HAx A 19 PRO HDx 1.0 1.8 3.58 419 419 A 18 GLY HAy A 19 PRO HDx 1.0 1.8 3.58 420 420 A 19 PRO HDy A 18 GLY HAy 1.0 1.8 3.58 421 421 A 74 PHE HA A 74 PHE HDx 1.0 1.8 4.91 422 422 A 74 PHE HA A 74 PHE HDy 1.0 1.8 5.52 423 423 A 74 PHE HDx A 53 LEU HDy% 1.0 1.8 4.98 424 424 A 74 PHE HDy A 53 LEU HDy% 1.0 1.8 5.35 425 425 A 100 TRP H A 100 TRP HD1 1.0 1.8 3.69 426 426 A 13 GLU H A 13 GLU HGx 1.0 1.8 5.61 427 427 A 13 GLU H A 13 GLU HGy 1.0 1.8 5.61 428 428 A 14 ALA H A 14 ALA HB1 1.0 1.8 4.12 429 429 A 98 GLY H A 95 LEU HA 1.0 1.8 5.05 430 430 A 23 GLU H A 22 PRO HA 1.0 1.8 3.06 431 431 A 23 GLU H A 23 GLU HGx 1.0 1.8 5.61 432 432 A 23 GLU H A 23 GLU HGy 1.0 1.8 5.61 433 433 A 23 GLU H A 23 GLU HBy 1.0 1.8 3.87 434 434 A 23 GLU H A 23 GLU HBx 1.0 1.8 3.87 435 435 A 24 GLY H A 25 VAL H 1.0 1.8 4.21 436 436 A 24 GLY H A 23 GLU HA 1.0 1.8 3.40 437 437 A 24 GLY H A 23 GLU HGx 1.0 1.8 5.61 438 438 A 24 GLY H A 23 GLU HGy 1.0 1.8 5.61 439 439 A 25 VAL H A 23 GLU HA 1.0 1.8 4.58 440 440 A 25 VAL H A 25 VAL HB 1.0 1.8 3.86 441 441 A 27 PRO HA A 28 THR H 1.0 1.8 3.26 442 442 A 28 THR HG2% A 28 THR H 1.0 1.8 4.30 443 443 A 28 THR HA A 29 ASP H 1.0 1.8 3.20 444 444 A 31 PHE H A 31 PHE HDx 1.0 1.8 5.44 445 445 A 31 PHE H A 31 PHE HDy 1.0 1.8 5.61 446 446 A 30 ARG HA A 31 PHE H 1.0 1.8 3.29 447 447 A 31 PHE H A 32 PRO HDy 1.0 1.8 5.42 448 448 A 31 PHE H A 32 PRO HDx 1.0 1.8 5.42 449 449 A 31 PHE H A 31 PHE HBy 1.0 1.8 4.03 450 450 A 31 PHE H A 31 PHE HBx 1.0 1.8 4.03 451 451 A 31 PHE H A 30 ARG HBx 1.0 1.8 5.43 452 452 A 31 PHE H A 30 ARG HBy 1.0 1.8 5.43 453 453 A 33 LEU H A 32 PRO HDx 1.0 1.8 4.59 454 454 A 33 LEU HA A 34 LEU H 1.0 1.8 3.02 455 455 A 34 LEU HA A 35 ALA H 1.0 1.8 3.58 456 456 A 35 ALA H A 35 ALA HB% 1.0 1.8 3.07 457 457 A 35 ALA H A 34 LEU HDx% 1.0 1.8 5.29 458 458 A 35 ALA H A 34 LEU HDy% 1.0 1.8 5.29 459 459 A 35 ALA HA A 36 LEU H 1.0 1.8 3.14 460 460 A 35 ALA HB% A 36 LEU H 1.0 1.8 3.91 461 461 A 39 ARG H A 38 ARG H 1.0 1.8 4.71 462 462 A 38 ARG H A 37 LEU HA 1.0 1.8 2.88 463 463 A 38 ARG H A 37 LEU HDx% 1.0 1.8 5.61 464 464 A 38 ARG H A 37 LEU HDy% 1.0 1.8 5.61 465 465 A 39 ARG H A 40 THR H 1.0 1.8 4.57 466 466 A 38 ARG HA A 39 ARG H 1.0 1.8 3.15 467 467 A 40 THR H A 39 ARG HBx 1.0 1.8 5.56 468 468 A 40 THR H A 39 ARG HBy 1.0 1.8 5.56 469 469 A 40 THR H A 39 ARG HGx 1.0 1.8 4.97 470 470 A 40 THR H A 79 THR HG2% 1.0 1.8 5.44 471 471 A 40 THR H A 41 LEU H 1.0 1.8 4.81 472 472 A 41 LEU H A 40 THR HA 1.0 1.8 3.33 473 473 A 41 LEU H A 40 THR HB 1.0 1.8 3.63 474 474 A 41 LEU HBx A 41 LEU H 1.0 1.8 3.63 475 475 A 40 THR HG2% A 41 LEU H 1.0 1.8 4.12 476 476 A 41 LEU HDx% A 41 LEU H 1.0 1.8 3.77 477 477 A 42 THR H A 41 LEU H 1.0 1.8 5.20 478 478 A 42 THR H A 45 GLN H 1.0 1.8 4.18 479 479 A 42 THR H A 41 LEU HA 1.0 1.8 2.91 480 480 A 42 THR H A 45 GLN HA 1.0 1.8 5.61 481 481 A 42 THR H A 45 GLN HBx 1.0 1.8 3.62 482 482 A 42 THR H A 41 LEU HBy 1.0 1.8 4.37 483 483 A 42 THR H A 42 THR HG2% 1.0 1.8 3.14 484 484 A 42 THR H A 41 LEU HG 1.0 1.8 4.97 485 485 A 42 THR H A 41 LEU HDx% 1.0 1.8 5.23 486 486 A 44 GLU H A 43 GLU H 1.0 1.8 3.49 487 487 A 44 GLU H A 46 VAL H 1.0 1.8 4.50 488 488 A 42 THR HA A 44 GLU H 1.0 1.8 4.98 489 489 A 44 GLU H A 44 GLU HGy 1.0 1.8 3.91 490 490 A 44 GLU H A 44 GLU HGx 1.0 1.8 3.91 491 491 A 44 GLU H A 44 GLU HBx 1.0 1.8 4.25 492 492 A 44 GLU H A 45 GLN H 1.0 1.8 3.28 493 493 A 46 VAL H A 45 GLN H 1.0 1.8 3.36 494 494 A 45 GLN H A 45 GLN HBx 1.0 1.8 3.66 495 495 A 41 LEU HBy A 45 GLN H 1.0 1.8 5.61 496 496 A 42 THR HG2% A 45 GLN H 1.0 1.8 4.30 497 497 A 42 THR HG2% A 43 GLU H 1.0 1.8 3.95 498 498 A 42 THR H A 46 VAL H 1.0 1.8 4.92 499 499 A 47 GLN H A 46 VAL H 1.0 1.8 3.35 500 500 A 43 GLU HA A 46 VAL H 1.0 1.8 3.97 501 501 A 46 VAL HB A 46 VAL H 1.0 1.8 3.00 502 502 A 48 GLU HBy A 46 VAL H 1.0 1.8 5.61 503 503 A 49 VAL HB A 46 VAL H 1.0 1.8 5.61 504 504 A 46 VAL H A 45 GLN HBx 1.0 1.8 4.38 505 505 A 41 LEU HBy A 46 VAL H 1.0 1.8 4.34 506 506 A 46 VAL H A 46 VAL HGx% 1.0 1.8 3.92 507 507 A 46 VAL H A 46 VAL HGy% 1.0 1.8 3.92 508 508 A 47 GLN H A 45 GLN H 1.0 1.8 4.91 509 509 A 47 GLN H A 47 GLN HE2y 1.0 1.8 5.32 510 510 A 47 GLN H A 45 GLN HA 1.0 1.8 4.94 511 511 A 43 GLU HA A 47 GLN H 1.0 1.8 4.57 512 512 A 47 GLN H A 46 VAL HB 1.0 1.8 3.13 513 513 A 47 GLN H A 47 GLN HBy 1.0 1.8 3.74 514 514 A 47 GLN H A 46 VAL HGy% 1.0 1.8 4.08 515 515 A 95 LEU H A 92 ALA HA 1.0 1.8 3.99 516 516 A 95 LEU H A 94 ARG HDx 1.0 1.8 5.61 517 517 A 95 LEU H A 94 ARG HDy 1.0 1.8 5.61 518 518 A 95 LEU H A 94 ARG HGy 1.0 1.8 3.76 519 519 A 95 LEU H A 95 LEU HG 1.0 1.8 3.59 520 520 A 95 LEU H A 50 VAL HGx% 1.0 1.8 4.27 521 521 A 95 LEU H A 50 VAL HGy% 1.0 1.8 4.27 522 522 A 95 LEU H A 95 LEU HDx% 1.0 1.8 4.31 523 523 A 95 LEU H A 95 LEU HDy% 1.0 1.8 3.95 524 524 A 49 VAL H A 47 GLN H 1.0 1.8 5.08 525 525 A 49 VAL H A 45 GLN HA 1.0 1.8 4.61 526 526 A 49 VAL H A 46 VAL HA 1.0 1.8 4.26 527 527 A 49 VAL H A 48 GLU HGy 1.0 1.8 4.59 528 528 A 49 VAL H A 48 GLU HBy 1.0 1.8 3.37 529 529 A 49 VAL H A 49 VAL HB 1.0 1.8 3.48 530 530 A 49 VAL H A 41 LEU HDy% 1.0 1.8 5.51 531 531 A 49 VAL H A 45 GLN HBy 1.0 1.8 5.32 532 532 A 49 VAL H A 51 ALA HB% 1.0 1.8 5.10 533 533 A 49 VAL H A 47 GLN HA 1.0 1.8 5.21 534 534 A 49 VAL H A 50 VAL H 1.0 1.8 3.47 535 535 A 46 VAL HA A 50 VAL H 1.0 1.8 4.56 536 536 A 50 VAL H A 50 VAL HB 1.0 1.8 3.76 537 537 A 50 VAL H A 53 LEU HBx 1.0 1.8 5.46 538 538 A 50 VAL H A 51 ALA HB% 1.0 1.8 4.74 539 539 A 50 VAL H A 50 VAL HGy% 1.0 1.8 3.91 540 540 A 50 VAL H A 53 LEU HG 1.0 1.8 5.61 541 541 A 52 LYS H A 51 ALA H 1.0 1.8 3.58 542 542 A 48 GLU HA A 51 ALA H 1.0 1.8 3.90 543 543 A 49 VAL HA A 51 ALA H 1.0 1.8 5.32 544 544 A 50 VAL HB A 51 ALA H 1.0 1.8 3.97 545 545 A 51 ALA H A 50 VAL HGx% 1.0 1.8 4.13 546 546 A 51 ALA H A 50 VAL HGy% 1.0 1.8 4.13 547 547 A 49 VAL HA A 52 LYS H 1.0 1.8 4.27 548 548 A 51 ALA HB% A 52 LYS H 1.0 1.8 3.53 549 549 A 53 LEU H A 54 THR H 1.0 1.8 3.59 550 550 A 53 LEU H A 50 VAL HA 1.0 1.8 4.11 551 551 A 53 LEU H A 53 LEU HBx 1.0 1.8 3.41 552 552 A 53 LEU H A 53 LEU HDx% 1.0 1.8 4.47 553 553 A 53 LEU H A 53 LEU HDy% 1.0 1.8 4.72 554 554 A 53 LEU H A 54 THR HG2% 1.0 1.8 5.14 555 555 A 53 LEU H A 55 ASP H 1.0 1.8 4.69 556 556 A 55 ASP H A 55 ASP HBy 1.0 1.8 3.93 557 557 A 55 ASP H A 55 ASP HBx 1.0 1.8 3.93 558 558 A 54 THR HG2% A 55 ASP H 1.0 1.8 5.49 559 559 A 51 ALA HA A 54 THR H 1.0 1.8 4.56 560 560 A 53 LEU HBx A 54 THR H 1.0 1.8 4.81 561 561 A 54 THR H A 53 LEU HBy 1.0 1.8 5.04 562 562 A 53 LEU HDx% A 54 THR H 1.0 1.8 5.17 563 563 A 53 LEU HG A 54 THR H 1.0 1.8 5.61 564 564 A 54 THR HG2% A 54 THR H 1.0 1.8 3.92 565 565 A 58 SER H A 57 GLU H 1.0 1.8 3.23 566 566 A 57 GLU H A 57 GLU HBy 1.0 1.8 3.31 567 567 A 57 GLU H A 57 GLU HBx 1.0 1.8 3.31 568 568 A 58 SER H A 58 SER HBx 1.0 1.8 3.98 569 569 A 58 SER H A 58 SER HBy 1.0 1.8 3.98 570 570 A 58 SER H A 57 GLU HBy 1.0 1.8 4.69 571 571 A 60 ALA H A 61 GLN H 1.0 1.8 3.90 572 572 A 60 ALA H A 59 SER HBx 1.0 1.8 5.50 573 573 A 60 ALA H A 59 SER HBy 1.0 1.8 5.50 574 574 A 60 ALA H A 60 ALA HB% 1.0 1.8 3.33 575 575 A 59 SER HA A 61 GLN H 1.0 1.8 4.79 576 576 A 62 ILE HA A 61 GLN H 1.0 1.8 5.09 577 577 A 61 GLN H A 60 ALA HB% 1.0 1.8 4.23 578 578 A 62 ILE H A 63 ASP H 1.0 1.8 4.58 579 579 A 62 ILE H A 61 GLN H 1.0 1.8 3.98 580 580 A 59 SER HA A 62 ILE H 1.0 1.8 5.19 581 581 A 62 ILE H A 62 ILE HB 1.0 1.8 3.85 582 582 A 62 ILE H A 62 ILE HG1x 1.0 1.8 4.63 583 583 A 65 VAL H A 66 VAL H 1.0 1.8 4.86 584 584 A 65 VAL H A 64 GLY H 1.0 1.8 4.57 585 585 A 65 VAL H A 65 VAL HB 1.0 1.8 3.88 586 586 A 66 VAL H A 65 VAL HA 1.0 1.8 3.44 587 587 A 66 VAL H A 66 VAL HB 1.0 1.8 3.90 588 588 A 67 SER H A 70 GLU HBx 1.0 1.8 4.37 589 589 A 67 SER H A 70 GLU HBy 1.0 1.8 5.11 590 590 A 70 GLU H A 67 SER H 1.0 1.8 4.97 591 591 A 69 ASP H A 70 GLU H 1.0 1.8 3.94 592 592 A 70 GLU H A 70 GLU HBx 1.0 1.8 3.48 593 593 A 70 GLU H A 70 GLU HGy 1.0 1.8 4.19 594 594 A 70 GLU H A 70 GLU HGx 1.0 1.8 4.19 595 595 A 70 GLU H A 71 ILE HB 1.0 1.8 5.61 596 596 A 70 GLU H A 72 GLU HGx 1.0 1.8 5.61 597 597 A 70 GLU H A 70 GLU HBy 1.0 1.8 4.06 598 598 A 70 GLU H A 71 ILE H 1.0 1.8 3.66 599 599 A 71 ILE H A 70 GLU HBx 1.0 1.8 4.06 600 600 A 71 ILE HB A 71 ILE H 1.0 1.8 3.25 601 601 A 71 ILE H A 71 ILE HG1y 1.0 1.8 3.81 602 602 A 71 ILE H A 70 GLU HBy 1.0 1.8 4.56 603 603 A 71 ILE HG2% A 71 ILE H 1.0 1.8 4.00 604 604 A 71 ILE H A 71 ILE HG1x 1.0 1.8 3.81 605 605 A 71 ILE H A 72 GLU H 1.0 1.8 3.55 606 606 A 72 GLU H A 73 LYS H 1.0 1.8 3.74 607 607 A 70 GLU H A 72 GLU H 1.0 1.8 5.19 608 608 A 72 GLU H A 69 ASP HA 1.0 1.8 4.45 609 609 A 72 GLU H A 72 GLU HGy 1.0 1.8 3.33 610 610 A 71 ILE HB A 72 GLU H 1.0 1.8 3.16 611 611 A 72 GLU H A 72 GLU HGx 1.0 1.8 3.46 612 612 A 71 ILE HG2% A 72 GLU H 1.0 1.8 3.91 613 613 A 72 GLU H A 88 ILE HG1y 1.0 1.8 4.46 614 614 A 70 GLU HA A 72 GLU H 1.0 1.8 5.49 615 615 A 70 GLU H A 73 LYS H 1.0 1.8 5.49 616 616 A 73 LYS H A 74 PHE HDx 1.0 1.8 5.61 617 617 A 70 GLU HA A 73 LYS H 1.0 1.8 4.48 618 618 A 73 LYS H A 72 GLU HBy 1.0 1.8 4.45 619 619 A 73 LYS H A 72 GLU HGx 1.0 1.8 4.19 620 620 A 73 LYS H A 74 PHE H 1.0 1.8 3.96 621 621 A 74 PHE HDx A 74 PHE H 1.0 1.8 3.56 622 622 A 74 PHE HEx A 74 PHE H 1.0 1.8 5.61 623 623 A 71 ILE HA A 74 PHE H 1.0 1.8 4.91 624 624 A 74 PHE H A 74 PHE HBy 1.0 1.8 3.98 625 625 A 74 PHE H A 74 PHE HBx 1.0 1.8 3.98 626 626 A 70 GLU HBy A 74 PHE H 1.0 1.8 5.27 627 627 A 71 ILE HG2% A 74 PHE H 1.0 1.8 5.10 628 628 A 53 LEU HG A 74 PHE H 1.0 1.8 5.61 629 629 A 53 LEU HDy% A 74 PHE H 1.0 1.8 5.16 630 630 A 75 ILE H A 74 PHE H 1.0 1.8 3.74 631 631 A 75 ILE H A 74 PHE HDx 1.0 1.8 5.26 632 632 A 75 ILE H A 72 GLU HA 1.0 1.8 4.46 633 633 A 75 ILE H A 71 ILE HA 1.0 1.8 5.20 634 634 A 75 ILE H A 74 PHE HBy 1.0 1.8 4.56 635 635 A 75 ILE H A 74 PHE HBx 1.0 1.8 4.56 636 636 A 75 ILE H A 83 PRO HBx 1.0 1.8 4.71 637 637 A 75 ILE H A 75 ILE HB 1.0 1.8 3.20 638 638 A 75 ILE H A 76 ALA HB% 1.0 1.8 4.58 639 639 A 75 ILE H A 75 ILE HD1% 1.0 1.8 3.77 640 640 A 75 ILE H A 75 ILE HG2% 1.0 1.8 3.98 641 641 A 76 ALA H A 74 PHE H 1.0 1.8 5.06 642 642 A 75 ILE H A 76 ALA H 1.0 1.8 3.48 643 643 A 77 ASP H A 76 ALA H 1.0 1.8 3.69 644 644 A 76 ALA H A 83 PRO HGx 1.0 1.8 4.25 645 645 A 76 ALA H A 83 PRO HBx 1.0 1.8 4.64 646 646 A 76 ALA H A 75 ILE HB 1.0 1.8 3.27 647 647 A 76 ALA H A 75 ILE HG2% 1.0 1.8 3.81 648 648 A 75 ILE HD1% A 76 ALA H 1.0 1.8 4.63 649 649 A 77 ASP H A 74 PHE H 1.0 1.8 5.44 650 650 A 75 ILE H A 77 ASP H 1.0 1.8 5.03 651 651 A 74 PHE HA A 77 ASP H 1.0 1.8 3.94 652 652 A 77 ASP H A 77 ASP HBy 1.0 1.8 3.64 653 653 A 78 VAL HB A 77 ASP H 1.0 1.8 5.41 654 654 A 78 VAL HGy% A 77 ASP H 1.0 1.8 4.65 655 655 A 78 VAL H A 80 LYS H 1.0 1.8 4.41 656 656 A 78 VAL H A 76 ALA HA 1.0 1.8 4.79 657 657 A 75 ILE HA A 78 VAL H 1.0 1.8 4.48 658 658 A 78 VAL H A 77 ASP HBy 1.0 1.8 4.17 659 659 A 78 VAL H A 77 ASP HBx 1.0 1.8 4.17 660 660 A 78 VAL HB A 78 VAL H 1.0 1.8 3.20 661 661 A 78 VAL H A 76 ALA HB% 1.0 1.8 4.90 662 662 A 78 VAL HGx% A 78 VAL H 1.0 1.8 3.96 663 663 A 79 THR H A 80 LYS H 1.0 1.8 3.26 664 664 A 79 THR H A 81 ASP H 1.0 1.8 4.51 665 665 A 79 THR H A 77 ASP H 1.0 1.8 4.88 666 666 A 79 THR H A 78 VAL H 1.0 1.8 3.01 667 667 A 79 THR H A 76 ALA HA 1.0 1.8 4.64 668 668 A 79 THR H A 77 ASP HA 1.0 1.8 5.05 669 669 A 79 THR H A 78 VAL HA 1.0 1.8 3.21 670 670 A 79 THR H A 76 ALA HB% 1.0 1.8 5.29 671 671 A 79 THR H A 78 VAL HGx% 1.0 1.8 4.43 672 672 A 80 LYS H A 81 ASP H 1.0 1.8 3.60 673 673 A 76 ALA HA A 80 LYS H 1.0 1.8 4.30 674 674 A 77 ASP HA A 80 LYS H 1.0 1.8 5.34 675 675 A 78 VAL HB A 80 LYS H 1.0 1.8 4.32 676 676 A 80 LYS H A 80 LYS HBx 1.0 1.8 4.18 677 677 A 80 LYS H A 80 LYS HGy 1.0 1.8 5.02 678 678 A 80 LYS H A 80 LYS HGx 1.0 1.8 4.99 679 679 A 75 ILE HG2% A 80 LYS H 1.0 1.8 4.82 680 680 A 78 VAL HGy% A 80 LYS H 1.0 1.8 5.50 681 681 A 80 LYS H A 79 THR HG2% 1.0 1.8 5.40 682 682 A 81 ASP H A 82 GLU H 1.0 1.8 4.45 683 683 A 76 ALA HA A 81 ASP H 1.0 1.8 3.89 684 684 A 81 ASP H A 81 ASP HBx 1.0 1.8 4.22 685 685 A 90 ARG H A 91 VAL H 1.0 1.8 3.17 686 686 A 91 VAL HB A 91 VAL H 1.0 1.8 3.11 687 687 A 91 VAL HGy% A 91 VAL H 1.0 1.8 3.17 688 688 A 82 GLU H A 83 PRO HDy 1.0 1.8 4.98 689 689 A 82 GLU H A 83 PRO HDx 1.0 1.8 4.98 690 690 A 81 ASP HBy A 82 GLU H 1.0 1.8 4.37 691 691 A 81 ASP HBx A 82 GLU H 1.0 1.8 4.27 692 692 A 83 PRO HA A 84 THR H 1.0 1.8 3.18 693 693 A 84 THR H A 84 THR HB 1.0 1.8 3.52 694 694 A 84 THR H A 87 ASP HBy 1.0 1.8 4.73 695 695 A 84 THR H A 87 ASP HBx 1.0 1.8 4.73 696 696 A 86 GLN HBx A 84 THR H 1.0 1.8 5.50 697 697 A 84 THR HG2% A 84 THR H 1.0 1.8 3.33 698 698 A 75 ILE HG2% A 84 THR H 1.0 1.8 4.36 699 699 A 75 ILE HD1% A 84 THR H 1.0 1.8 4.93 700 700 A 84 THR H A 85 ALA H 1.0 1.8 5.13 701 701 A 84 THR HA A 85 ALA H 1.0 1.8 3.00 702 702 A 85 ALA HB% A 85 ALA H 1.0 1.8 3.02 703 703 A 84 THR HG2% A 85 ALA H 1.0 1.8 4.13 704 704 A 88 ILE HD1% A 85 ALA H 1.0 1.8 4.64 705 705 A 86 GLN H A 85 ALA H 1.0 1.8 3.91 706 706 A 88 ILE H A 86 GLN H 1.0 1.8 5.10 707 707 A 86 GLN H A 84 THR HB 1.0 1.8 4.40 708 708 A 86 GLN H A 86 GLN HBx 1.0 1.8 3.45 709 709 A 86 GLN H A 86 GLN HBy 1.0 1.8 3.62 710 710 A 86 GLN H A 85 ALA HB% 1.0 1.8 3.48 711 711 A 88 ILE HD1% A 86 GLN H 1.0 1.8 5.41 712 712 A 84 THR H A 87 ASP H 1.0 1.8 4.41 713 713 A 85 ALA H A 87 ASP H 1.0 1.8 5.40 714 714 A 86 GLN H A 87 ASP H 1.0 1.8 3.52 715 715 A 88 ILE HA A 87 ASP H 1.0 1.8 5.55 716 716 A 87 ASP H A 87 ASP HBy 1.0 1.8 3.82 717 717 A 87 ASP H A 87 ASP HBx 1.0 1.8 3.82 718 718 A 86 GLN HBx A 87 ASP H 1.0 1.8 3.72 719 719 A 86 GLN HBy A 87 ASP H 1.0 1.8 3.88 720 720 A 85 ALA HB% A 87 ASP H 1.0 1.8 5.27 721 721 A 84 THR HG2% A 87 ASP H 1.0 1.8 4.36 722 722 A 75 ILE HG2% A 87 ASP H 1.0 1.8 5.09 723 723 A 88 ILE HD1% A 87 ASP H 1.0 1.8 4.96 724 724 A 75 ILE HD1% A 87 ASP H 1.0 1.8 5.05 725 725 A 88 ILE H A 84 THR H 1.0 1.8 5.49 726 726 A 88 ILE H A 89 SER H 1.0 1.8 3.49 727 727 A 88 ILE H A 87 ASP H 1.0 1.8 3.26 728 728 A 88 ILE H A 85 ALA HA 1.0 1.8 3.97 729 729 A 88 ILE H A 87 ASP HBy 1.0 1.8 4.04 730 730 A 88 ILE H A 87 ASP HBx 1.0 1.8 4.04 731 731 A 88 ILE H A 88 ILE HB 1.0 1.8 3.04 732 732 A 88 ILE H A 88 ILE HG1x 1.0 1.8 3.56 733 733 A 88 ILE H A 86 GLN HBx 1.0 1.8 5.41 734 734 A 88 ILE H A 75 ILE HD1% 1.0 1.8 3.45 735 735 A 88 ILE H A 85 ALA HB% 1.0 1.8 5.02 736 736 A 89 SER H A 89 SER HBx 1.0 1.8 3.44 737 737 A 89 SER H A 89 SER HBy 1.0 1.8 3.59 738 738 A 88 ILE HB A 89 SER H 1.0 1.8 3.49 739 739 A 85 ALA HB% A 89 SER H 1.0 1.8 4.79 740 740 A 92 ALA HB% A 89 SER H 1.0 1.8 5.27 741 741 A 88 ILE HG2% A 89 SER H 1.0 1.8 3.91 742 742 A 75 ILE HD1% A 89 SER H 1.0 1.8 5.09 743 743 A 89 SER H A 90 ARG H 1.0 1.8 3.78 744 744 A 87 ASP HA A 90 ARG H 1.0 1.8 3.98 745 745 A 90 ARG H A 90 ARG HDx 1.0 1.8 5.11 746 746 A 90 ARG H A 90 ARG HDy 1.0 1.8 5.11 747 747 A 75 ILE HD1% A 90 ARG H 1.0 1.8 5.61 748 748 A 92 ALA H A 91 VAL H 1.0 1.8 3.45 749 749 A 92 ALA H A 90 ARG H 1.0 1.8 4.77 750 750 A 42 THR HA A 43 GLU H 1.0 1.8 3.09 751 751 A 92 ALA H A 89 SER HA 1.0 1.8 4.24 752 752 A 91 VAL HB A 92 ALA H 1.0 1.8 3.36 753 753 A 71 ILE HG2% A 92 ALA H 1.0 1.8 3.93 754 754 A 91 VAL HGx% A 92 ALA H 1.0 1.8 3.67 755 755 A 92 ALA H A 93 SER H 1.0 1.8 3.28 756 756 A 93 SER H A 91 VAL H 1.0 1.8 4.28 757 757 A 93 SER H A 94 ARG H 1.0 1.8 3.25 758 758 A 93 SER H A 93 SER HA 1.0 1.8 2.99 759 759 A 93 SER H A 93 SER HBy 1.0 1.8 3.57 760 760 A 93 SER H A 91 VAL HA 1.0 1.8 5.03 761 761 A 93 SER H A 90 ARG HBy 1.0 1.8 5.61 762 762 A 93 SER H A 90 ARG HBx 1.0 1.8 5.61 763 763 A 94 ARG HGy A 93 SER H 1.0 1.8 4.96 764 764 A 92 ALA HB% A 93 SER H 1.0 1.8 3.06 765 765 A 92 ALA H A 94 ARG H 1.0 1.8 4.95 766 766 A 95 LEU H A 94 ARG H 1.0 1.8 3.22 767 767 A 94 ARG H A 93 SER HBy 1.0 1.8 4.12 768 768 A 91 VAL HA A 94 ARG H 1.0 1.8 4.08 769 769 A 94 ARG HBx A 94 ARG H 1.0 1.8 3.72 770 770 A 94 ARG HGy A 94 ARG H 1.0 1.8 3.61 771 771 A 95 LEU HG A 94 ARG H 1.0 1.8 4.56 772 772 A 91 VAL HGx% A 94 ARG H 1.0 1.8 5.32 773 773 A 49 VAL H A 48 GLU H 1.0 1.8 3.37 774 774 A 50 VAL H A 48 GLU H 1.0 1.8 4.89 775 775 A 47 GLN H A 48 GLU H 1.0 1.8 3.33 776 776 A 45 GLN HA A 48 GLU H 1.0 1.8 3.81 777 777 A 48 GLU HBy A 48 GLU H 1.0 1.8 2.70 778 778 A 48 GLU H A 45 GLN HBx 1.0 1.8 5.61 779 779 A 45 GLN HBy A 48 GLU H 1.0 1.8 5.61 780 780 A 48 GLU H A 51 ALA HB% 1.0 1.8 4.94 781 781 A 48 GLU H A 49 VAL HGy% 1.0 1.8 4.58 782 782 A 95 LEU H A 96 ALA H 1.0 1.8 3.31 783 783 A 98 GLY H A 96 ALA H 1.0 1.8 4.96 784 784 A 94 ARG H A 96 ALA H 1.0 1.8 4.62 785 785 A 92 ALA HA A 96 ALA H 1.0 1.8 4.29 786 786 A 96 ALA HB% A 96 ALA H 1.0 1.8 2.78 787 787 A 95 LEU HDx% A 96 ALA H 1.0 1.8 4.29 788 788 A 96 ALA H A 95 LEU HDy% 1.0 1.8 4.83 789 789 A 97 ALA H A 96 ALA H 1.0 1.8 3.25 790 790 A 98 GLY H A 97 ALA H 1.0 1.8 3.19 791 791 A 97 ALA H A 94 ARG H 1.0 1.8 5.17 792 792 A 97 ALA HB% A 97 ALA H 1.0 1.8 2.62 793 793 A 88 ILE H A 88 ILE HD1% 1.0 1.8 3.40 794 794 A 103 ALA HA A 104 GLY H 1.0 1.8 3.21 795 795 A 104 GLY H A 103 ALA HB% 1.0 1.8 3.95 796 796 A 104 GLY H A 105 VAL HGx% 1.0 1.8 5.61 797 797 A 104 GLY H A 105 VAL HGy% 1.0 1.8 5.61 798 798 A 104 GLY H A 105 VAL H 1.0 1.8 3.77 799 799 A 103 ALA HA A 105 VAL H 1.0 1.8 4.54 800 800 A 105 VAL H A 105 VAL HB 1.0 1.8 3.47 801 801 A 103 ALA HB% A 105 VAL H 1.0 1.8 5.24 802 802 A 105 VAL H A 105 VAL HGx% 1.0 1.8 4.55 803 803 A 105 VAL H A 105 VAL HGy% 1.0 1.8 4.55 804 804 A 105 VAL H A 106 ASP H 1.0 1.8 4.94 805 805 A 105 VAL HA A 106 ASP H 1.0 1.8 3.53 806 806 A 106 ASP H A 106 ASP HBx 1.0 1.8 4.17 807 807 A 106 ASP H A 106 ASP HBy 1.0 1.8 4.17 808 808 A 105 VAL HB A 106 ASP H 1.0 1.8 4.70 809 809 A 109 ALA HB% A 106 ASP H 1.0 1.8 5.60 810 810 A 106 ASP H A 105 VAL HGx% 1.0 1.8 4.77 811 811 A 106 ASP H A 105 VAL HGy% 1.0 1.8 4.77 812 812 A 108 THR H A 108 THR HG2% 1.0 1.8 3.86 813 813 A 108 THR H A 106 ASP HBx 1.0 1.8 5.47 814 814 A 108 THR H A 106 ASP HBy 1.0 1.8 5.47 815 815 A 108 THR HA A 109 ALA H 1.0 1.8 3.58 816 816 A 109 ALA HB% A 109 ALA H 1.0 1.8 2.92 817 817 A 108 THR HG2% A 109 ALA H 1.0 1.8 4.53 818 818 A 110 LEU H A 109 ALA HA 1.0 1.8 3.28 819 819 A 109 ALA HB% A 110 LEU H 1.0 1.8 3.81 820 820 A 110 LEU H A 111 ASN H 1.0 1.8 4.26 821 821 A 112 ALA H A 111 ASN H 1.0 1.8 4.83 822 822 A 111 ASN H A 110 LEU HA 1.0 1.8 3.63 823 823 A 111 ASN H A 110 LEU HBy 1.0 1.8 4.92 824 824 A 111 ASN H A 110 LEU HBx 1.0 1.8 4.92 825 825 A 111 ASN H A 110 LEU HG 1.0 1.8 5.46 826 826 A 112 ALA HB% A 111 ASN H 1.0 1.8 5.20 827 827 A 112 ALA H A 110 LEU HA 1.0 1.8 5.15 828 828 A 112 ALA H A 111 ASN HBx 1.0 1.8 5.18 829 829 A 112 ALA H A 111 ASN HBy 1.0 1.8 5.18 830 830 A 78 VAL HGx% A 45 GLN HE2y 1.0 1.8 4.38 831 831 A 78 VAL HGx% A 45 GLN HE2x 1.0 1.8 4.38 832 832 A 43 GLU HA A 47 GLN HE2y 1.0 1.8 5.61 833 833 A 44 GLU HA A 47 GLN HE2y 1.0 1.8 5.61 834 834 A 100 TRP H A 100 TRP HBy 1.0 1.8 3.89 835 835 A 100 TRP H A 100 TRP HBx 1.0 1.8 3.89 836 836 A 13 GLU H A 13 GLU HGy 1.0 1.8 4.93 837 836 A 13 GLU H A 13 GLU HGx 1.0 1.8 4.93 838 837 A 18 GLY HAx A 19 PRO HDx 1.0 1.8 2.74 839 837 A 18 GLY HAy A 19 PRO HDx 1.0 1.8 2.74 840 837 A 19 PRO HDy A 18 GLY HAy 1.0 1.8 2.74 841 837 A 18 GLY HAx A 19 PRO HDy 1.0 1.8 2.74 842 838 A 19 PRO HDx A 22 PRO HBx 1.0 1.8 5.28 843 838 A 19 PRO HDy A 22 PRO HBx 1.0 1.8 5.28 844 838 A 22 PRO HBy A 19 PRO HDx 1.0 1.8 5.28 845 838 A 19 PRO HDy A 22 PRO HBy 1.0 1.8 5.28 846 839 A 19 PRO HDy A 22 PRO HGx 1.0 1.8 3.19 847 839 A 19 PRO HDx A 22 PRO HGx 1.0 1.8 3.19 848 839 A 22 PRO HGy A 19 PRO HDx 1.0 1.8 3.19 849 839 A 19 PRO HDy A 22 PRO HGy 1.0 1.8 3.19 850 840 A 19 PRO HDx A 32 PRO HBy 1.0 1.8 3.91 851 840 A 19 PRO HDy A 32 PRO HBy 1.0 1.8 3.91 852 840 A 32 PRO HBx A 19 PRO HDx 1.0 1.8 3.91 853 840 A 19 PRO HDy A 32 PRO HBx 1.0 1.8 3.91 854 841 A 19 PRO HDx A 32 PRO HGx 1.0 1.8 3.15 855 841 A 19 PRO HDy A 32 PRO HGx 1.0 1.8 3.15 856 841 A 32 PRO HGy A 19 PRO HDx 1.0 1.8 3.15 857 841 A 19 PRO HDy A 32 PRO HGy 1.0 1.8 3.15 858 842 A 21 SER H A 22 PRO HDx 1.0 1.8 4.57 859 842 A 21 SER H A 22 PRO HDy 1.0 1.8 4.57 860 843 A 23 GLU H A 23 GLU HBx 1.0 1.8 3.24 861 843 A 23 GLU H A 23 GLU HBy 1.0 1.8 3.24 862 844 A 24 GLY H A 23 GLU HBx 1.0 1.8 4.32 863 844 A 24 GLY H A 23 GLU HBy 1.0 1.8 4.32 864 845 A 23 GLU HBx A 24 GLY HAx 1.0 1.8 4.49 865 845 A 23 GLU HBy A 24 GLY HAx 1.0 1.8 4.49 866 845 A 24 GLY HAy A 23 GLU HBx 1.0 1.8 4.49 867 845 A 23 GLU HBy A 24 GLY HAy 1.0 1.8 4.49 868 846 A 25 VAL H A 25 VAL HGx% 1.0 1.8 4.34 869 846 A 25 VAL H A 25 VAL HGy% 1.0 1.8 4.34 870 847 A 25 VAL HA A 26 PRO HDx 1.0 1.8 2.88 871 847 A 25 VAL HA A 26 PRO HDy 1.0 1.8 2.88 872 848 A 25 VAL HB A 26 PRO HDx 1.0 1.8 3.46 873 848 A 25 VAL HB A 26 PRO HDy 1.0 1.8 3.46 874 849 A 25 VAL HGy% A 26 PRO HDx 1.0 1.8 3.38 875 849 A 25 VAL HGx% A 26 PRO HDx 1.0 1.8 3.38 876 849 A 26 PRO HDy A 25 VAL HGx% 1.0 1.8 3.38 877 849 A 25 VAL HGy% A 26 PRO HDy 1.0 1.8 3.38 878 850 A 29 ASP H A 29 ASP HBy 1.0 1.8 3.65 879 850 A 29 ASP H A 29 ASP HBx 1.0 1.8 3.65 880 851 A 29 ASP H A 30 ARG HBy 1.0 1.8 4.97 881 851 A 29 ASP H A 30 ARG HBx 1.0 1.8 4.97 882 852 A 30 ARG H A 29 ASP HBy 1.0 1.8 4.47 883 852 A 30 ARG H A 29 ASP HBx 1.0 1.8 4.47 884 853 A 30 ARG H A 30 ARG HBy 1.0 1.8 3.48 885 853 A 30 ARG H A 30 ARG HBx 1.0 1.8 3.48 886 854 A 30 ARG H A 30 ARG HGx 1.0 1.8 4.59 887 854 A 30 ARG H A 30 ARG HGy 1.0 1.8 4.59 888 855 A 30 ARG HA A 30 ARG HDx 1.0 1.8 4.73 889 855 A 30 ARG HA A 30 ARG HDy 1.0 1.8 4.73 890 856 A 31 PHE H A 31 PHE HBy 1.0 1.8 3.28 891 856 A 31 PHE H A 31 PHE HBx 1.0 1.8 3.28 892 857 A 31 PHE H A 32 PRO HDx 1.0 1.8 4.57 893 857 A 31 PHE H A 32 PRO HDy 1.0 1.8 4.57 894 858 A 31 PHE HBx A 32 PRO HDx 1.0 1.8 3.59 895 858 A 32 PRO HDy A 31 PHE HBy 1.0 1.8 3.59 896 858 A 31 PHE HBx A 32 PRO HDy 1.0 1.8 3.59 897 858 A 31 PHE HBy A 32 PRO HDx 1.0 1.8 3.59 898 859 A 33 LEU H A 31 PHE HBy 1.0 1.8 4.31 899 859 A 33 LEU H A 31 PHE HBx 1.0 1.8 4.31 900 860 A 31 PHE HBx A 33 LEU HBx 1.0 1.8 4.54 901 860 A 33 LEU HBy A 31 PHE HBy 1.0 1.8 4.54 902 860 A 31 PHE HBx A 33 LEU HBy 1.0 1.8 4.54 903 860 A 31 PHE HBy A 33 LEU HBx 1.0 1.8 4.54 904 861 A 31 PHE HBy A 33 LEU HDx% 1.0 1.8 4.53 905 861 A 31 PHE HBx A 33 LEU HDx% 1.0 1.8 4.53 906 861 A 33 LEU HDy% A 31 PHE HBy 1.0 1.8 4.53 907 861 A 31 PHE HBx A 33 LEU HDy% 1.0 1.8 4.53 908 862 A 33 LEU H A 32 PRO HBy 1.0 1.8 3.97 909 862 A 33 LEU H A 32 PRO HBx 1.0 1.8 3.97 910 863 A 33 LEU H A 32 PRO HGx 1.0 1.8 4.41 911 863 A 33 LEU H A 32 PRO HGy 1.0 1.8 4.41 912 864 A 32 PRO HGx A 33 LEU HDx% 1.0 1.8 4.34 913 864 A 32 PRO HGy A 33 LEU HDx% 1.0 1.8 4.34 914 864 A 33 LEU HDy% A 32 PRO HGx 1.0 1.8 4.34 915 864 A 32 PRO HGy A 33 LEU HDy% 1.0 1.8 4.34 916 865 A 33 LEU H A 33 LEU HBx 1.0 1.8 3.10 917 865 A 33 LEU H A 33 LEU HBy 1.0 1.8 3.10 918 866 A 33 LEU H A 33 LEU HDx% 1.0 1.8 4.49 919 866 A 33 LEU H A 33 LEU HDy% 1.0 1.8 4.49 920 867 A 33 LEU HA A 34 LEU HDx% 1.0 1.8 4.01 921 867 A 33 LEU HA A 34 LEU HDy% 1.0 1.8 4.01 922 868 A 34 LEU H A 33 LEU HBx 1.0 1.8 3.19 923 868 A 34 LEU H A 33 LEU HBy 1.0 1.8 3.19 924 869 A 35 ALA H A 33 LEU HBx 1.0 1.8 4.34 925 869 A 35 ALA H A 33 LEU HBy 1.0 1.8 4.34 926 870 A 34 LEU H A 34 LEU HDx% 1.0 1.8 4.03 927 870 A 34 LEU H A 34 LEU HDy% 1.0 1.8 4.03 928 871 A 34 LEU H A 36 LEU HDx% 1.0 1.8 5.26 929 871 A 34 LEU H A 36 LEU HDy% 1.0 1.8 5.26 930 872 A 34 LEU HA A 34 LEU HDx% 1.0 1.8 3.76 931 872 A 34 LEU HA A 34 LEU HDy% 1.0 1.8 3.76 932 873 A 34 LEU HA A 36 LEU HDx% 1.0 1.8 3.98 933 873 A 34 LEU HA A 36 LEU HDy% 1.0 1.8 3.98 934 874 A 35 ALA H A 34 LEU HDx% 1.0 1.8 4.60 935 874 A 35 ALA H A 34 LEU HDy% 1.0 1.8 4.60 936 875 A 35 ALA H A 36 LEU HDx% 1.0 1.8 5.42 937 875 A 35 ALA H A 36 LEU HDy% 1.0 1.8 5.42 938 876 A 36 LEU H A 36 LEU HDx% 1.0 1.8 4.73 939 876 A 36 LEU H A 36 LEU HDy% 1.0 1.8 4.73 940 877 A 37 LEU HA A 38 ARG HGx 1.0 1.8 4.38 941 877 A 37 LEU HA A 38 ARG HGy 1.0 1.8 4.38 942 878 A 38 ARG H A 38 ARG HBx 1.0 1.8 2.98 943 878 A 38 ARG H A 38 ARG HBy 1.0 1.8 2.98 944 879 A 38 ARG H A 38 ARG HDy 1.0 1.8 5.13 945 879 A 38 ARG H A 38 ARG HDx 1.0 1.8 5.13 946 880 A 38 ARG HA A 38 ARG HDy 1.0 1.8 4.02 947 880 A 38 ARG HA A 38 ARG HDx 1.0 1.8 4.02 948 881 A 39 ARG H A 38 ARG HBx 1.0 1.8 3.98 949 881 A 39 ARG H A 38 ARG HBy 1.0 1.8 3.98 950 882 A 39 ARG H A 38 ARG HDy 1.0 1.8 4.36 951 882 A 39 ARG H A 38 ARG HDx 1.0 1.8 4.36 952 883 A 39 ARG H A 39 ARG HBy 1.0 1.8 3.33 953 883 A 39 ARG H A 39 ARG HBx 1.0 1.8 3.33 954 884 A 39 ARG HA A 39 ARG HGx 1.0 1.8 3.71 955 884 A 39 ARG HA A 39 ARG HGy 1.0 1.8 3.71 956 885 A 39 ARG HA A 39 ARG HDx 1.0 1.8 4.87 957 885 A 39 ARG HA A 39 ARG HDy 1.0 1.8 4.87 958 886 A 79 THR HB A 39 ARG HBy 1.0 1.8 4.48 959 886 A 79 THR HB A 39 ARG HBx 1.0 1.8 4.48 960 887 A 79 THR HG2% A 39 ARG HBy 1.0 1.8 4.31 961 887 A 79 THR HG2% A 39 ARG HBx 1.0 1.8 4.31 962 888 A 81 ASP HBy A 39 ARG HBy 1.0 1.8 5.45 963 888 A 81 ASP HBy A 39 ARG HBx 1.0 1.8 5.45 964 889 A 40 THR H A 39 ARG HGx 1.0 1.8 4.31 965 889 A 40 THR H A 39 ARG HGy 1.0 1.8 4.31 966 890 A 81 ASP HBy A 39 ARG HGx 1.0 1.8 5.45 967 890 A 81 ASP HBy A 39 ARG HGy 1.0 1.8 5.45 968 891 A 40 THR H A 39 ARG HDx 1.0 1.8 5.45 969 891 A 40 THR H A 39 ARG HDy 1.0 1.8 5.45 970 892 A 81 ASP HBx A 39 ARG HDx 1.0 1.8 5.45 971 892 A 81 ASP HBx A 39 ARG HDy 1.0 1.8 5.45 972 893 A 41 LEU HG A 45 GLN HGy 1.0 1.8 4.93 973 893 A 41 LEU HG A 45 GLN HGx 1.0 1.8 4.93 974 894 A 41 LEU HDx% A 45 GLN HGy 1.0 1.8 4.73 975 894 A 41 LEU HDx% A 45 GLN HGx 1.0 1.8 4.73 976 895 A 42 THR H A 45 GLN HGy 1.0 1.8 3.64 977 895 A 42 THR H A 45 GLN HGx 1.0 1.8 3.64 978 896 A 42 THR H A 46 VAL HGx% 1.0 1.8 5.01 979 896 A 42 THR H A 46 VAL HGy% 1.0 1.8 5.01 980 897 A 42 THR HG2% A 44 GLU HGx 1.0 1.8 3.89 981 897 A 42 THR HG2% A 44 GLU HGy 1.0 1.8 3.89 982 898 A 43 GLU H A 43 GLU HBx 1.0 1.8 3.25 983 898 A 43 GLU H A 43 GLU HBy 1.0 1.8 3.25 984 899 A 43 GLU H A 43 GLU HGx 1.0 1.8 4.28 985 899 A 43 GLU H A 43 GLU HGy 1.0 1.8 4.28 986 900 A 43 GLU H A 44 GLU HGx 1.0 1.8 5.45 987 900 A 43 GLU H A 44 GLU HGy 1.0 1.8 5.45 988 901 A 43 GLU HA A 43 GLU HGx 1.0 1.8 3.46 989 901 A 43 GLU HA A 43 GLU HGy 1.0 1.8 3.46 990 902 A 43 GLU HA A 46 VAL HGx% 1.0 1.8 3.50 991 902 A 43 GLU HA A 46 VAL HGy% 1.0 1.8 3.50 992 903 A 44 GLU H A 43 GLU HBx 1.0 1.8 2.99 993 903 A 44 GLU H A 43 GLU HBy 1.0 1.8 2.99 994 904 A 44 GLU HA A 43 GLU HBx 1.0 1.8 4.04 995 904 A 44 GLU HA A 43 GLU HBy 1.0 1.8 4.04 996 905 A 43 GLU HBx A 44 GLU HGx 1.0 1.8 3.50 997 905 A 43 GLU HBy A 44 GLU HGx 1.0 1.8 3.50 998 905 A 44 GLU HGy A 43 GLU HBx 1.0 1.8 3.50 999 905 A 44 GLU HGy A 43 GLU HBy 1.0 1.8 3.50 1000 906 A 46 VAL H A 43 GLU HBx 1.0 1.8 5.45 1001 906 A 46 VAL H A 43 GLU HBy 1.0 1.8 5.45 1002 907 A 112 ALA H A 43 GLU HBx 1.0 1.8 3.72 1003 907 A 112 ALA H A 43 GLU HBy 1.0 1.8 3.72 1004 908 A 44 GLU H A 43 GLU HGx 1.0 1.8 5.00 1005 908 A 44 GLU H A 43 GLU HGy 1.0 1.8 5.00 1006 909 A 47 GLN HE2y A 43 GLU HGx 1.0 1.8 4.24 1007 909 A 47 GLN HE2y A 43 GLU HGy 1.0 1.8 4.24 1008 910 A 47 GLN HE2x A 43 GLU HGx 1.0 1.8 5.19 1009 910 A 43 GLU HGy A 47 GLN HE2x 1.0 1.8 5.19 1010 911 A 112 ALA H A 43 GLU HGx 1.0 1.8 3.90 1011 911 A 112 ALA H A 43 GLU HGy 1.0 1.8 3.90 1012 912 A 44 GLU H A 44 GLU HBx 1.0 1.8 3.63 1013 912 A 44 GLU H A 44 GLU HBy 1.0 1.8 3.63 1014 913 A 44 GLU H A 44 GLU HGx 1.0 1.8 3.35 1015 913 A 44 GLU H A 44 GLU HGy 1.0 1.8 3.35 1016 914 A 44 GLU H A 45 GLN HGy 1.0 1.8 4.82 1017 914 A 44 GLU H A 45 GLN HGx 1.0 1.8 4.82 1018 915 A 45 GLN H A 44 GLU HBx 1.0 1.8 3.72 1019 915 A 45 GLN H A 44 GLU HBy 1.0 1.8 3.72 1020 916 A 44 GLU HBy A 45 GLN HGy 1.0 1.8 3.87 1021 916 A 44 GLU HBx A 45 GLN HGy 1.0 1.8 3.87 1022 916 A 45 GLN HGx A 44 GLU HBx 1.0 1.8 3.87 1023 916 A 45 GLN HGx A 44 GLU HBy 1.0 1.8 3.87 1024 917 A 45 GLN H A 44 GLU HGx 1.0 1.8 4.53 1025 917 A 45 GLN H A 44 GLU HGy 1.0 1.8 4.53 1026 918 A 112 ALA H A 44 GLU HGx 1.0 1.8 5.45 1027 918 A 112 ALA H A 44 GLU HGy 1.0 1.8 5.45 1028 919 A 45 GLN H A 45 GLN HGy 1.0 1.8 3.01 1029 919 A 45 GLN H A 45 GLN HGx 1.0 1.8 3.01 1030 920 A 45 GLN H A 46 VAL HGx% 1.0 1.8 4.48 1031 920 A 45 GLN H A 46 VAL HGy% 1.0 1.8 4.48 1032 921 A 45 GLN HA A 45 GLN HGy 1.0 1.8 3.57 1033 921 A 45 GLN HA A 45 GLN HGx 1.0 1.8 3.57 1034 922 A 45 GLN HE2y A 45 GLN HGx 1.0 1.8 3.23 1035 922 A 45 GLN HE2y A 45 GLN HGy 1.0 1.8 3.23 1036 922 A 45 GLN HE2x A 45 GLN HGx 1.0 1.8 3.23 1037 922 A 45 GLN HE2x A 45 GLN HGy 1.0 1.8 3.23 1038 923 A 46 VAL H A 46 VAL HGx% 1.0 1.8 2.93 1039 923 A 46 VAL H A 46 VAL HGy% 1.0 1.8 2.93 1040 924 A 46 VAL H A 47 GLN HBy 1.0 1.8 5.45 1041 924 A 46 VAL H A 47 GLN HBx 1.0 1.8 5.45 1042 925 A 46 VAL HA A 46 VAL HGx% 1.0 1.8 2.80 1043 925 A 46 VAL HA A 46 VAL HGy% 1.0 1.8 2.80 1044 926 A 47 GLN H A 46 VAL HGx% 1.0 1.8 3.50 1045 926 A 47 GLN H A 46 VAL HGy% 1.0 1.8 3.50 1046 927 A 47 GLN HA A 46 VAL HGx% 1.0 1.8 3.90 1047 927 A 47 GLN HA A 46 VAL HGy% 1.0 1.8 3.90 1048 928 A 47 GLN HGy A 46 VAL HGx% 1.0 1.8 3.84 1049 928 A 47 GLN HGy A 46 VAL HGy% 1.0 1.8 3.84 1050 929 A 47 GLN HGx A 46 VAL HGx% 1.0 1.8 5.25 1051 929 A 47 GLN HGx A 46 VAL HGy% 1.0 1.8 5.25 1052 930 A 48 GLU H A 46 VAL HGx% 1.0 1.8 5.38 1053 930 A 48 GLU H A 46 VAL HGy% 1.0 1.8 5.38 1054 931 A 49 VAL H A 46 VAL HGx% 1.0 1.8 5.55 1055 931 A 49 VAL H A 46 VAL HGy% 1.0 1.8 5.55 1056 932 A 90 ARG H A 46 VAL HGx% 1.0 1.8 5.55 1057 932 A 90 ARG H A 46 VAL HGy% 1.0 1.8 5.55 1058 933 A 90 ARG HA A 46 VAL HGx% 1.0 1.8 4.67 1059 933 A 90 ARG HA A 46 VAL HGy% 1.0 1.8 4.67 1060 934 A 46 VAL HGx% A 90 ARG HBx 1.0 1.8 3.67 1061 934 A 46 VAL HGy% A 90 ARG HBx 1.0 1.8 3.67 1062 934 A 90 ARG HBy A 46 VAL HGx% 1.0 1.8 3.67 1063 934 A 46 VAL HGy% A 90 ARG HBy 1.0 1.8 3.67 1064 935 A 46 VAL HGx% A 90 ARG HDx 1.0 1.8 4.95 1065 935 A 46 VAL HGy% A 90 ARG HDx 1.0 1.8 4.95 1066 935 A 90 ARG HDy A 46 VAL HGx% 1.0 1.8 4.95 1067 935 A 46 VAL HGy% A 90 ARG HDy 1.0 1.8 4.95 1068 936 A 91 VAL H A 46 VAL HGx% 1.0 1.8 4.35 1069 936 A 91 VAL H A 46 VAL HGy% 1.0 1.8 4.35 1070 937 A 94 ARG H A 46 VAL HGx% 1.0 1.8 4.94 1071 937 A 94 ARG H A 46 VAL HGy% 1.0 1.8 4.94 1072 938 A 94 ARG HBx A 46 VAL HGx% 1.0 1.8 4.37 1073 938 A 94 ARG HBx A 46 VAL HGy% 1.0 1.8 4.37 1074 939 A 94 ARG HGy A 46 VAL HGx% 1.0 1.8 3.63 1075 939 A 94 ARG HGy A 46 VAL HGy% 1.0 1.8 3.63 1076 940 A 94 ARG HGx A 46 VAL HGx% 1.0 1.8 3.61 1077 940 A 94 ARG HGx A 46 VAL HGy% 1.0 1.8 3.61 1078 941 A 46 VAL HGx% A 94 ARG HDx 1.0 1.8 4.00 1079 941 A 46 VAL HGy% A 94 ARG HDx 1.0 1.8 4.00 1080 941 A 94 ARG HDy A 46 VAL HGx% 1.0 1.8 4.00 1081 941 A 46 VAL HGy% A 94 ARG HDy 1.0 1.8 4.00 1082 942 A 47 GLN H A 47 GLN HBy 1.0 1.8 2.94 1083 942 A 47 GLN H A 47 GLN HBx 1.0 1.8 2.94 1084 943 A 47 GLN HA A 50 VAL HGx% 1.0 1.8 3.71 1085 943 A 47 GLN HA A 50 VAL HGy% 1.0 1.8 3.71 1086 944 A 48 GLU H A 47 GLN HBy 1.0 1.8 3.66 1087 944 A 48 GLU H A 47 GLN HBx 1.0 1.8 3.66 1088 945 A 51 ALA HB% A 47 GLN HBy 1.0 1.8 4.48 1089 945 A 51 ALA HB% A 47 GLN HBx 1.0 1.8 4.48 1090 946 A 48 GLU H A 50 VAL HGx% 1.0 1.8 5.50 1091 946 A 48 GLU H A 50 VAL HGy% 1.0 1.8 5.50 1092 947 A 50 VAL H A 50 VAL HGx% 1.0 1.8 2.95 1093 947 A 50 VAL H A 50 VAL HGy% 1.0 1.8 2.95 1094 948 A 50 VAL HA A 50 VAL HGx% 1.0 1.8 2.93 1095 948 A 50 VAL HA A 50 VAL HGy% 1.0 1.8 2.93 1096 949 A 51 ALA H A 50 VAL HGx% 1.0 1.8 3.60 1097 949 A 51 ALA H A 50 VAL HGy% 1.0 1.8 3.60 1098 950 A 51 ALA HA A 50 VAL HGx% 1.0 1.8 4.48 1099 950 A 51 ALA HA A 50 VAL HGy% 1.0 1.8 4.48 1100 951 A 51 ALA HB% A 50 VAL HGx% 1.0 1.8 4.70 1101 951 A 51 ALA HB% A 50 VAL HGy% 1.0 1.8 4.70 1102 952 A 52 LYS H A 50 VAL HGx% 1.0 1.8 5.40 1103 952 A 52 LYS H A 50 VAL HGy% 1.0 1.8 5.40 1104 953 A 53 LEU H A 50 VAL HGx% 1.0 1.8 5.04 1105 953 A 53 LEU H A 50 VAL HGy% 1.0 1.8 5.04 1106 954 A 54 THR H A 50 VAL HGx% 1.0 1.8 5.55 1107 954 A 54 THR H A 50 VAL HGy% 1.0 1.8 5.55 1108 955 A 91 VAL HA A 50 VAL HGx% 1.0 1.8 3.28 1109 955 A 91 VAL HA A 50 VAL HGy% 1.0 1.8 3.28 1110 956 A 91 VAL HGx% A 50 VAL HGx% 1.0 1.8 2.59 1111 956 A 91 VAL HGx% A 50 VAL HGy% 1.0 1.8 2.59 1112 957 A 94 ARG H A 50 VAL HGx% 1.0 1.8 4.29 1113 957 A 94 ARG H A 50 VAL HGy% 1.0 1.8 4.29 1114 958 A 94 ARG HA A 50 VAL HGx% 1.0 1.8 4.35 1115 958 A 94 ARG HA A 50 VAL HGy% 1.0 1.8 4.35 1116 959 A 94 ARG HBy A 50 VAL HGx% 1.0 1.8 3.73 1117 959 A 94 ARG HBy A 50 VAL HGy% 1.0 1.8 3.73 1118 960 A 94 ARG HBx A 50 VAL HGx% 1.0 1.8 3.22 1119 960 A 94 ARG HBx A 50 VAL HGy% 1.0 1.8 3.22 1120 961 A 94 ARG HGy A 50 VAL HGx% 1.0 1.8 3.12 1121 961 A 94 ARG HGy A 50 VAL HGy% 1.0 1.8 3.12 1122 962 A 94 ARG HGx A 50 VAL HGx% 1.0 1.8 3.69 1123 962 A 94 ARG HGx A 50 VAL HGy% 1.0 1.8 3.69 1124 963 A 50 VAL HGx% A 94 ARG HDx 1.0 1.8 4.50 1125 963 A 50 VAL HGy% A 94 ARG HDx 1.0 1.8 4.50 1126 963 A 94 ARG HDy A 50 VAL HGx% 1.0 1.8 4.50 1127 963 A 94 ARG HDy A 50 VAL HGy% 1.0 1.8 4.50 1128 964 A 95 LEU H A 50 VAL HGx% 1.0 1.8 3.59 1129 964 A 95 LEU H A 50 VAL HGy% 1.0 1.8 3.59 1130 965 A 95 LEU HA A 50 VAL HGx% 1.0 1.8 4.74 1131 965 A 95 LEU HA A 50 VAL HGy% 1.0 1.8 4.74 1132 966 A 50 VAL HGy% A 95 LEU HBy 1.0 1.8 5.23 1133 966 A 50 VAL HGx% A 95 LEU HBy 1.0 1.8 5.23 1134 966 A 95 LEU HBx A 50 VAL HGx% 1.0 1.8 5.23 1135 966 A 50 VAL HGy% A 95 LEU HBx 1.0 1.8 5.23 1136 967 A 95 LEU HDy% A 50 VAL HGx% 1.0 1.8 3.58 1137 967 A 95 LEU HDy% A 50 VAL HGy% 1.0 1.8 3.58 1138 968 A 53 LEU HG A 71 ILE HG1x 1.0 1.8 4.72 1139 968 A 53 LEU HG A 71 ILE HG1y 1.0 1.8 4.72 1140 969 A 55 ASP H A 55 ASP HBx 1.0 1.8 3.27 1141 969 A 55 ASP H A 55 ASP HBy 1.0 1.8 3.27 1142 970 A 57 GLU H A 55 ASP HBx 1.0 1.8 4.40 1143 970 A 57 GLU H A 55 ASP HBy 1.0 1.8 4.40 1144 971 A 58 SER H A 55 ASP HBx 1.0 1.8 3.91 1145 971 A 58 SER H A 55 ASP HBy 1.0 1.8 3.91 1146 972 A 57 GLU H A 56 PRO HBx 1.0 1.8 3.63 1147 972 A 57 GLU H A 56 PRO HBy 1.0 1.8 3.63 1148 973 A 57 GLU H A 56 PRO HGx 1.0 1.8 3.65 1149 973 A 57 GLU H A 56 PRO HGy 1.0 1.8 3.65 1150 974 A 58 SER H A 56 PRO HGx 1.0 1.8 5.46 1151 974 A 58 SER H A 56 PRO HGy 1.0 1.8 5.46 1152 975 A 57 GLU H A 56 PRO HDx 1.0 1.8 4.03 1153 975 A 57 GLU H A 56 PRO HDy 1.0 1.8 4.03 1154 976 A 58 SER H A 57 GLU HBx 1.0 1.8 3.93 1155 976 A 58 SER H A 57 GLU HBy 1.0 1.8 3.93 1156 977 A 58 SER H A 58 SER HBy 1.0 1.8 3.41 1157 977 A 58 SER H A 58 SER HBx 1.0 1.8 3.41 1158 978 A 59 SER HA A 62 ILE HG1x 1.0 1.8 3.98 1159 978 A 59 SER HA A 62 ILE HG1y 1.0 1.8 3.98 1160 979 A 62 ILE HD1% A 59 SER HBy 1.0 1.8 4.93 1161 979 A 62 ILE HD1% A 59 SER HBx 1.0 1.8 4.93 1162 980 A 61 GLN H A 62 ILE HG1x 1.0 1.8 3.85 1163 980 A 61 GLN H A 62 ILE HG1y 1.0 1.8 3.85 1164 981 A 61 GLN HA A 62 ILE HG1x 1.0 1.8 5.44 1165 981 A 61 GLN HA A 62 ILE HG1y 1.0 1.8 5.44 1166 982 A 62 ILE H A 62 ILE HG1x 1.0 1.8 3.86 1167 982 A 62 ILE H A 62 ILE HG1y 1.0 1.8 3.86 1168 983 A 62 ILE HA A 62 ILE HG1x 1.0 1.8 3.78 1169 983 A 62 ILE HA A 62 ILE HG1y 1.0 1.8 3.78 1170 984 A 62 ILE HG2% A 62 ILE HG1x 1.0 1.8 3.25 1171 984 A 62 ILE HG2% A 62 ILE HG1y 1.0 1.8 3.25 1172 985 A 74 PHE HEx A 62 ILE HG1x 1.0 1.8 5.45 1173 985 A 74 PHE HEx A 62 ILE HG1y 1.0 1.8 5.45 1174 986 A 65 VAL H A 65 VAL HGx% 1.0 1.8 4.06 1175 986 A 65 VAL H A 65 VAL HGy% 1.0 1.8 4.06 1176 987 A 66 VAL H A 65 VAL HGx% 1.0 1.8 4.08 1177 987 A 66 VAL H A 65 VAL HGy% 1.0 1.8 4.08 1178 988 A 67 SER H A 66 VAL HGx% 1.0 1.8 4.07 1179 988 A 67 SER H A 66 VAL HGy% 1.0 1.8 4.07 1180 989 A 70 GLU H A 66 VAL HGx% 1.0 1.8 5.42 1181 989 A 70 GLU H A 66 VAL HGy% 1.0 1.8 5.42 1182 990 A 67 SER H A 70 GLU HGx 1.0 1.8 5.45 1183 990 A 67 SER H A 70 GLU HGy 1.0 1.8 5.45 1184 991 A 69 ASP H A 67 SER HBy 1.0 1.8 4.03 1185 991 A 69 ASP H A 67 SER HBx 1.0 1.8 4.03 1186 992 A 69 ASP H A 69 ASP HBx 1.0 1.8 3.59 1187 992 A 69 ASP H A 69 ASP HBy 1.0 1.8 3.59 1188 993 A 69 ASP HA A 72 GLU HBx 1.0 1.8 4.78 1189 993 A 69 ASP HA A 72 GLU HBy 1.0 1.8 4.78 1190 994 A 70 GLU H A 69 ASP HBx 1.0 1.8 4.10 1191 994 A 70 GLU H A 69 ASP HBy 1.0 1.8 4.10 1192 995 A 70 GLU H A 70 GLU HGx 1.0 1.8 3.57 1193 995 A 70 GLU H A 70 GLU HGy 1.0 1.8 3.57 1194 996 A 70 GLU H A 71 ILE HG1x 1.0 1.8 4.65 1195 996 A 70 GLU H A 71 ILE HG1y 1.0 1.8 4.65 1196 997 A 70 GLU HA A 70 GLU HGx 1.0 1.8 3.56 1197 997 A 70 GLU HA A 70 GLU HGy 1.0 1.8 3.56 1198 998 A 70 GLU HA A 71 ILE HG1x 1.0 1.8 5.45 1199 998 A 70 GLU HA A 71 ILE HG1y 1.0 1.8 5.45 1200 999 A 70 GLU HBy A 71 ILE HG1x 1.0 1.8 5.28 1201 999 A 70 GLU HBy A 71 ILE HG1y 1.0 1.8 5.28 1202 1000 A 71 ILE H A 70 GLU HGx 1.0 1.8 4.59 1203 1000 A 71 ILE H A 70 GLU HGy 1.0 1.8 4.59 1204 1001 A 71 ILE HG2% A 70 GLU HGx 1.0 1.8 4.95 1205 1001 A 71 ILE HG2% A 70 GLU HGy 1.0 1.8 4.95 1206 1002 A 74 PHE H A 70 GLU HGx 1.0 1.8 5.45 1207 1002 A 74 PHE H A 70 GLU HGy 1.0 1.8 5.45 1208 1003 A 71 ILE H A 71 ILE HG1x 1.0 1.8 3.14 1209 1003 A 71 ILE H A 71 ILE HG1y 1.0 1.8 3.14 1210 1004 A 71 ILE HG2% A 74 PHE HBy 1.0 1.8 4.69 1211 1004 A 71 ILE HG2% A 74 PHE HBx 1.0 1.8 4.69 1212 1005 A 72 GLU H A 71 ILE HG1x 1.0 1.8 4.41 1213 1005 A 72 GLU H A 71 ILE HG1y 1.0 1.8 4.41 1214 1006 A 91 VAL HGx% A 71 ILE HG1x 1.0 1.8 4.49 1215 1006 A 91 VAL HGx% A 71 ILE HG1y 1.0 1.8 4.49 1216 1007 A 92 ALA HA A 71 ILE HG1x 1.0 1.8 5.45 1217 1007 A 92 ALA HA A 71 ILE HG1y 1.0 1.8 5.45 1218 1008 A 95 LEU HDx% A 71 ILE HG1x 1.0 1.8 3.66 1219 1008 A 95 LEU HDx% A 71 ILE HG1y 1.0 1.8 3.66 1220 1009 A 72 GLU H A 72 GLU HBx 1.0 1.8 3.20 1221 1009 A 72 GLU H A 72 GLU HBy 1.0 1.8 3.20 1222 1010 A 73 LYS H A 72 GLU HBx 1.0 1.8 3.86 1223 1010 A 73 LYS H A 72 GLU HBy 1.0 1.8 3.86 1224 1011 A 74 PHE H A 74 PHE HBy 1.0 1.8 3.29 1225 1011 A 74 PHE H A 74 PHE HBx 1.0 1.8 3.29 1226 1012 A 75 ILE H A 74 PHE HBy 1.0 1.8 3.82 1227 1012 A 75 ILE H A 74 PHE HBx 1.0 1.8 3.82 1228 1013 A 75 ILE HG2% A 87 ASP HBx 1.0 1.8 3.93 1229 1013 A 75 ILE HG2% A 87 ASP HBy 1.0 1.8 3.93 1230 1014 A 75 ILE HD1% A 87 ASP HBx 1.0 1.8 3.28 1231 1014 A 75 ILE HD1% A 87 ASP HBy 1.0 1.8 3.28 1232 1015 A 76 ALA H A 77 ASP HBx 1.0 1.8 5.01 1233 1015 A 76 ALA H A 77 ASP HBy 1.0 1.8 5.01 1234 1016 A 76 ALA HB% A 83 PRO HDx 1.0 1.8 3.74 1235 1016 A 76 ALA HB% A 83 PRO HDy 1.0 1.8 3.74 1236 1017 A 77 ASP H A 77 ASP HBx 1.0 1.8 3.04 1237 1017 A 77 ASP H A 77 ASP HBy 1.0 1.8 3.04 1238 1018 A 80 LYS HBy A 87 ASP HBx 1.0 1.8 5.45 1239 1018 A 80 LYS HBy A 87 ASP HBy 1.0 1.8 5.45 1240 1019 A 80 LYS HBx A 87 ASP HBx 1.0 1.8 5.45 1241 1019 A 80 LYS HBx A 87 ASP HBy 1.0 1.8 5.45 1242 1020 A 80 LYS HGy A 87 ASP HBx 1.0 1.8 4.92 1243 1020 A 80 LYS HGy A 87 ASP HBy 1.0 1.8 4.92 1244 1021 A 80 LYS HGx A 87 ASP HBx 1.0 1.8 5.28 1245 1021 A 80 LYS HGx A 87 ASP HBy 1.0 1.8 5.28 1246 1022 A 81 ASP HBx A 83 PRO HDx 1.0 1.8 5.46 1247 1022 A 81 ASP HBx A 83 PRO HDy 1.0 1.8 5.46 1248 1023 A 82 GLU HA A 83 PRO HDx 1.0 1.8 3.59 1249 1023 A 82 GLU HA A 83 PRO HDy 1.0 1.8 3.59 1250 1024 A 82 GLU HBy A 83 PRO HDx 1.0 1.8 4.55 1251 1024 A 82 GLU HBy A 83 PRO HDy 1.0 1.8 4.55 1252 1025 A 84 THR H A 87 ASP HBx 1.0 1.8 4.15 1253 1025 A 84 THR H A 87 ASP HBy 1.0 1.8 4.15 1254 1026 A 86 GLN HA A 86 GLN HGy 1.0 1.8 3.25 1255 1026 A 86 GLN HA A 86 GLN HGx 1.0 1.8 3.25 1256 1027 A 87 ASP H A 86 GLN HGy 1.0 1.8 4.87 1257 1027 A 87 ASP H A 86 GLN HGx 1.0 1.8 4.87 1258 1028 A 86 GLN HGy A 90 ARG HDx 1.0 1.8 3.91 1259 1028 A 86 GLN HGx A 90 ARG HDx 1.0 1.8 3.91 1260 1028 A 90 ARG HDy A 86 GLN HGy 1.0 1.8 3.91 1261 1028 A 90 ARG HDy A 86 GLN HGx 1.0 1.8 3.91 1262 1029 A 87 ASP H A 87 ASP HBx 1.0 1.8 3.22 1263 1029 A 87 ASP H A 87 ASP HBy 1.0 1.8 3.22 1264 1030 A 87 ASP H A 90 ARG HDx 1.0 1.8 5.25 1265 1030 A 87 ASP H A 90 ARG HDy 1.0 1.8 5.25 1266 1031 A 87 ASP HA A 90 ARG HBx 1.0 1.8 4.55 1267 1031 A 87 ASP HA A 90 ARG HBy 1.0 1.8 4.55 1268 1032 A 87 ASP HA A 90 ARG HDx 1.0 1.8 5.11 1269 1032 A 87 ASP HA A 90 ARG HDy 1.0 1.8 5.11 1270 1033 A 88 ILE H A 87 ASP HBx 1.0 1.8 3.45 1271 1033 A 88 ILE H A 87 ASP HBy 1.0 1.8 3.45 1272 1034 A 88 ILE HD1% A 87 ASP HBx 1.0 1.8 4.30 1273 1034 A 88 ILE HD1% A 87 ASP HBy 1.0 1.8 4.30 1274 1035 A 89 SER HBy A 90 ARG HBx 1.0 1.8 4.88 1275 1035 A 89 SER HBy A 90 ARG HBy 1.0 1.8 4.88 1276 1036 A 90 ARG H A 90 ARG HBx 1.0 1.8 3.09 1277 1036 A 90 ARG H A 90 ARG HBy 1.0 1.8 3.09 1278 1037 A 90 ARG H A 90 ARG HDx 1.0 1.8 4.31 1279 1037 A 90 ARG H A 90 ARG HDy 1.0 1.8 4.31 1280 1038 A 90 ARG HA A 90 ARG HDx 1.0 1.8 4.74 1281 1038 A 90 ARG HA A 90 ARG HDy 1.0 1.8 4.74 1282 1039 A 90 ARG HBx A 90 ARG HDx 1.0 1.8 3.14 1283 1039 A 90 ARG HBy A 90 ARG HDx 1.0 1.8 3.14 1284 1039 A 90 ARG HDy A 90 ARG HBx 1.0 1.8 3.14 1285 1039 A 90 ARG HBy A 90 ARG HDy 1.0 1.8 3.14 1286 1040 A 91 VAL H A 90 ARG HBx 1.0 1.8 3.89 1287 1040 A 91 VAL H A 90 ARG HBy 1.0 1.8 3.89 1288 1041 A 91 VAL HA A 90 ARG HBx 1.0 1.8 4.29 1289 1041 A 91 VAL HA A 90 ARG HBy 1.0 1.8 4.29 1290 1042 A 92 ALA HA A 95 LEU HBy 1.0 1.8 4.72 1291 1042 A 92 ALA HA A 95 LEU HBx 1.0 1.8 4.72 1292 1043 A 93 SER H A 93 SER HBy 1.0 1.8 2.80 1293 1043 A 93 SER H A 93 SER HBx 1.0 1.8 2.80 1294 1044 A 94 ARG H A 93 SER HBy 1.0 1.8 3.45 1295 1044 A 94 ARG H A 93 SER HBx 1.0 1.8 3.45 1296 1045 A 96 ALA HB% A 93 SER HBy 1.0 1.8 4.51 1297 1045 A 96 ALA HB% A 93 SER HBx 1.0 1.8 4.51 1298 1046 A 97 ALA H A 93 SER HBy 1.0 1.8 5.45 1299 1046 A 97 ALA H A 93 SER HBx 1.0 1.8 5.45 1300 1047 A 94 ARG H A 94 ARG HDx 1.0 1.8 4.62 1301 1047 A 94 ARG H A 94 ARG HDy 1.0 1.8 4.62 1302 1048 A 94 ARG HA A 94 ARG HDx 1.0 1.8 3.70 1303 1048 A 94 ARG HA A 94 ARG HDy 1.0 1.8 3.70 1304 1049 A 97 ALA HB% A 94 ARG HDx 1.0 1.8 4.88 1305 1049 A 97 ALA HB% A 94 ARG HDy 1.0 1.8 4.88 1306 1050 A 95 LEU H A 95 LEU HBy 1.0 1.8 3.28 1307 1050 A 95 LEU H A 95 LEU HBx 1.0 1.8 3.28 1308 1051 A 96 ALA H A 95 LEU HBy 1.0 1.8 3.81 1309 1051 A 96 ALA H A 95 LEU HBx 1.0 1.8 3.81 1310 1052 A 97 ALA H A 98 GLY HAy 1.0 1.8 5.31 1311 1052 A 97 ALA H A 98 GLY HAx 1.0 1.8 5.31 1312 1053 A 97 ALA HB% A 98 GLY HAy 1.0 1.8 4.54 1313 1053 A 97 ALA HB% A 98 GLY HAx 1.0 1.8 4.54 1314 1054 A 100 TRP HD1 A 98 GLY HAy 1.0 1.8 4.02 1315 1054 A 100 TRP HD1 A 98 GLY HAx 1.0 1.8 4.02 1316 1055 A 100 TRP HE1 A 98 GLY HAy 1.0 1.8 4.57 1317 1055 A 98 GLY HAx A 100 TRP HE1 1.0 1.8 4.57 1318 1056 A 100 TRP H A 100 TRP HBy 1.0 1.8 3.16 1319 1056 A 100 TRP H A 100 TRP HBx 1.0 1.8 3.16 1320 1057 A 103 ALA HB% A 104 GLY HAy 1.0 1.8 4.74 1321 1057 A 103 ALA HB% A 104 GLY HAx 1.0 1.8 4.74 1322 1058 A 105 VAL H A 105 VAL HGx% 1.0 1.8 3.89 1323 1058 A 105 VAL H A 105 VAL HGy% 1.0 1.8 3.89 1324 1059 A 106 ASP H A 105 VAL HGx% 1.0 1.8 4.08 1325 1059 A 106 ASP H A 105 VAL HGy% 1.0 1.8 4.08 1326 1060 A 108 THR H A 106 ASP HBx 1.0 1.8 4.59 1327 1060 A 108 THR H A 106 ASP HBy 1.0 1.8 4.59 1328 1061 A 109 ALA H A 106 ASP HBx 1.0 1.8 4.76 1329 1061 A 109 ALA H A 106 ASP HBy 1.0 1.8 4.76 1330 1062 A 106 ASP HBx A 110 LEU HDx% 1.0 1.8 4.66 1331 1062 A 106 ASP HBy A 110 LEU HDx% 1.0 1.8 4.66 1332 1062 A 110 LEU HDy% A 106 ASP HBx 1.0 1.8 4.66 1333 1062 A 106 ASP HBy A 110 LEU HDy% 1.0 1.8 4.66 1334 1063 A 107 SER HA A 110 LEU HBx 1.0 1.8 3.97 1335 1063 A 107 SER HA A 110 LEU HBy 1.0 1.8 3.97 1336 1064 A 107 SER HA A 110 LEU HDx% 1.0 1.8 4.23 1337 1064 A 107 SER HA A 110 LEU HDy% 1.0 1.8 4.23 1338 1065 A 108 THR H A 107 SER HBy 1.0 1.8 4.48 1339 1065 A 108 THR H A 107 SER HBx 1.0 1.8 4.48 1340 1066 A 107 SER HBx A 110 LEU HDx% 1.0 1.8 4.97 1341 1066 A 107 SER HBy A 110 LEU HDx% 1.0 1.8 4.97 1342 1066 A 110 LEU HDy% A 107 SER HBy 1.0 1.8 4.97 1343 1066 A 110 LEU HDy% A 107 SER HBx 1.0 1.8 4.97 1344 1067 A 109 ALA H A 110 LEU HBx 1.0 1.8 4.61 1345 1067 A 109 ALA H A 110 LEU HBy 1.0 1.8 4.61 1346 1068 A 109 ALA H A 110 LEU HDx% 1.0 1.8 4.74 1347 1068 A 109 ALA H A 110 LEU HDy% 1.0 1.8 4.74 1348 1069 A 109 ALA HA A 110 LEU HBx 1.0 1.8 5.16 1349 1069 A 109 ALA HA A 110 LEU HBy 1.0 1.8 5.16 1350 1070 A 110 LEU H A 110 LEU HBx 1.0 1.8 3.17 1351 1070 A 110 LEU H A 110 LEU HBy 1.0 1.8 3.17 1352 1071 A 110 LEU H A 110 LEU HDx% 1.0 1.8 4.20 1353 1071 A 110 LEU H A 110 LEU HDy% 1.0 1.8 4.20 1354 1072 A 110 LEU HA A 110 LEU HDx% 1.0 1.8 3.53 1355 1072 A 110 LEU HA A 110 LEU HDy% 1.0 1.8 3.53 1356 1073 A 110 LEU HBx A 110 LEU HDx% 1.0 1.8 2.90 1357 1073 A 110 LEU HBy A 110 LEU HDx% 1.0 1.8 2.90 1358 1073 A 110 LEU HDy% A 110 LEU HBx 1.0 1.8 2.90 1359 1073 A 110 LEU HDy% A 110 LEU HBy 1.0 1.8 2.90 1360 1074 A 111 ASN H A 110 LEU HBx 1.0 1.8 4.25 1361 1074 A 111 ASN H A 110 LEU HBy 1.0 1.8 4.25 1362 1075 A 111 ASN H A 111 ASN HBy 1.0 1.8 3.54 1363 1075 A 111 ASN H A 111 ASN HBx 1.0 1.8 3.54 1364 1076 A 112 ALA H A 111 ASN HBy 1.0 1.8 4.56 1365 1076 A 112 ALA H A 111 ASN HBx 1.0 1.8 4.56 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 47 GLN H A 43 GLU O 1.0 1.8 2.0 2 2 A 43 GLU O A 47 GLN N 1.0 2.7 3.0 3 3 A 48 GLU H A 44 GLU O 1.0 1.8 2.0 4 4 A 44 GLU O A 48 GLU N 1.0 2.7 3.0 5 5 A 49 VAL H A 45 GLN O 1.0 1.8 2.0 6 6 A 45 GLN O A 49 VAL N 1.0 2.7 3.0 7 7 A 50 VAL H A 46 VAL O 1.0 1.8 2.0 8 8 A 46 VAL O A 50 VAL N 1.0 2.7 3.0 9 9 A 51 ALA H A 47 GLN O 1.0 1.8 2.0 10 10 A 47 GLN O A 51 ALA N 1.0 2.7 3.0 11 11 A 52 LYS H A 48 GLU O 1.0 1.8 2.0 12 12 A 48 GLU O A 52 LYS N 1.0 2.7 3.0 13 13 A 53 LEU H A 49 VAL O 1.0 1.8 2.0 14 14 A 49 VAL O A 53 LEU N 1.0 2.7 3.0 15 15 A 55 ASP H A 52 LYS O 1.0 1.8 2.0 16 16 A 52 LYS O A 55 ASP N 1.0 2.7 3.0 17 17 A 74 PHE H A 70 GLU O 1.0 1.8 2.0 18 18 A 70 GLU O A 74 PHE N 1.0 2.7 3.0 19 19 A 75 ILE H A 71 ILE O 1.0 1.8 2.0 20 20 A 71 ILE O A 75 ILE N 1.0 2.7 3.0 21 21 A 76 ALA H A 72 GLU O 1.0 1.8 2.0 22 22 A 72 GLU O A 76 ALA N 1.0 2.7 3.0 23 23 A 78 VAL H A 75 ILE O 1.0 1.8 2.0 24 24 A 75 ILE O A 78 VAL N 1.0 2.7 3.0 25 25 A 96 ALA H A 92 ALA O 1.0 1.8 2.0 26 26 A 92 ALA O A 96 ALA N 1.0 2.7 3.0 27 27 A 95 LEU H A 91 VAL O 1.0 1.8 2.0 28 28 A 91 VAL O A 95 LEU N 1.0 2.7 3.0 29 29 A 94 ARG H A 90 ARG O 1.0 1.8 2.0 30 30 A 90 ARG O A 94 ARG N 1.0 2.7 3.0 31 31 A 93 SER H A 89 SER O 1.0 1.8 2.0 32 32 A 89 SER O A 93 SER N 1.0 2.7 3.0 33 33 A 92 ALA H A 88 ILE O 1.0 1.8 2.0 34 34 A 88 ILE O A 92 ALA N 1.0 2.7 3.0 35 35 A 91 VAL H A 87 ASP O 1.0 1.8 2.0 36 36 A 87 ASP O A 91 VAL N 1.0 2.7 3.0 37 37 A 90 ARG H A 86 GLN O 1.0 1.8 2.0 38 38 A 86 GLN O A 90 ARG N 1.0 2.7 3.0 39 39 A 89 SER H A 85 ALA O 1.0 1.8 2.0 40 40 A 85 ALA O A 89 SER N 1.0 2.7 3.0 41 41 A 88 ILE H A 84 THR O 1.0 1.8 2.0 42 42 A 84 THR O A 88 ILE N 1.0 2.7 3.0 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 22 PRO C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -146.6 -19.8 PHI 2 2 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 GLY N 1.0 117.4 155.6 PSI 3 3 A 23 GLU C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 56.8 108.0 PHI 4 4 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 VAL N 1.0 -23.7 34.9 PSI 5 5 A 24 GLY C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -142.1 -57.7 PHI 6 6 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 PRO N 1.0 66.6 188.0 PSI 7 7 A 28 THR C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -128.6 -44.0 PHI 8 8 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 ARG N 1.0 -69.0 28.8 PSI 9 9 A 41 LEU C A 42 THR N A 42 THR CA A 42 THR C 1.0 -122.8 -52.4 PHI 10 10 A 42 THR N A 42 THR CA A 42 THR C A 43 GLU N 1.0 153.3 177.3 PSI 11 11 A 42 THR C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -70.8 -50.8 PHI 12 12 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 GLU N 1.0 -49.3 -22.1 PSI 13 13 A 43 GLU C A 44 GLU N A 44 GLU CA A 44 GLU C 1.0 -78.4 -45.2 PHI 14 14 A 44 GLU N A 44 GLU CA A 44 GLU C A 45 GLN N 1.0 -57.9 -26.9 PSI 15 15 A 44 GLU C A 45 GLN N A 45 GLN CA A 45 GLN C 1.0 -75.5 -54.3 PHI 16 16 A 45 GLN N A 45 GLN CA A 45 GLN C A 46 VAL N 1.0 -51.2 -25.2 PSI 17 17 A 45 GLN C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -74.4 -49.8 PHI 18 18 A 46 VAL N A 46 VAL CA A 46 VAL C A 47 GLN N 1.0 -56.3 -29.5 PSI 19 19 A 46 VAL C A 47 GLN N A 47 GLN CA A 47 GLN C 1.0 -73.8 -53.8 PHI 20 20 A 47 GLN N A 47 GLN CA A 47 GLN C A 48 GLU N 1.0 -49.6 -23.2 PSI 21 21 A 47 GLN C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -76.8 -56.8 PHI 22 22 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 VAL N 1.0 -52.7 -31.9 PSI 23 23 A 48 GLU C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -71.7 -51.7 PHI 24 24 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 VAL N 1.0 -54.6 -34.4 PSI 25 25 A 49 VAL C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -75.1 -55.1 PHI 26 26 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 ALA N 1.0 -56.2 -27.8 PSI 27 27 A 50 VAL C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -69.5 -49.5 PHI 28 28 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 LYS N 1.0 -53.1 -33.1 PSI 29 29 A 51 ALA C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -76.7 -54.1 PHI 30 30 A 52 LYS N A 52 LYS CA A 52 LYS C A 53 LEU N 1.0 -58.7 -15.7 PSI 31 31 A 52 LYS C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -89.2 -51.4 PHI 32 32 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 THR N 1.0 -57.5 -2.3 PSI 33 33 A 53 LEU C A 54 THR N A 54 THR CA A 54 THR C 1.0 -140.9 -76.1 PHI 34 34 A 54 THR N A 54 THR CA A 54 THR C A 55 ASP N 1.0 -26.1 30.3 PSI 35 35 A 54 THR C A 55 ASP N A 55 ASP CA A 55 ASP C 1.0 -122.4 -34.2 PHI 36 36 A 55 ASP N A 55 ASP CA A 55 ASP C A 56 PRO N 1.0 75.5 161.7 PSI 37 37 A 56 PRO C A 57 GLU N A 57 GLU CA A 57 GLU C 1.0 -103.3 -36.3 PHI 38 38 A 57 GLU N A 57 GLU CA A 57 GLU C A 58 SER N 1.0 -73.2 13.4 PSI 39 39 A 57 GLU C A 58 SER N A 58 SER CA A 58 SER C 1.0 -68.6 -48.6 PHI 40 40 A 58 SER N A 58 SER CA A 58 SER C A 59 SER N 1.0 -50.6 -28.8 PSI 41 41 A 58 SER C A 59 SER N A 59 SER CA A 59 SER C 1.0 -72.3 -52.3 PHI 42 42 A 59 SER N A 59 SER CA A 59 SER C A 60 ALA N 1.0 -66.4 -18.6 PSI 43 43 A 59 SER C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -88.0 -56.2 PHI 44 44 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 GLN N 1.0 -48.4 -5.0 PSI 45 45 A 60 ALA C A 61 GLN N A 61 GLN CA A 61 GLN C 1.0 -145.6 -60.0 PHI 46 46 A 61 GLN N A 61 GLN CA A 61 GLN C A 62 ILE N 1.0 -24.6 40.2 PSI 47 47 A 61 GLN C A 62 ILE N A 62 ILE CA A 62 ILE C 1.0 -69.2 -49.2 PHI 48 48 A 62 ILE N A 62 ILE CA A 62 ILE C A 63 ASP N 1.0 -50.2 -22.4 PSI 49 49 A 62 ILE C A 63 ASP N A 63 ASP CA A 63 ASP C 1.0 -121.9 -69.7 PHI 50 50 A 63 ASP N A 63 ASP CA A 63 ASP C A 64 GLY N 1.0 -13.9 35.3 PSI 51 51 A 63 ASP C A 64 GLY N A 64 GLY CA A 64 GLY C 1.0 36.1 118.9 PHI 52 52 A 64 GLY N A 64 GLY CA A 64 GLY C A 65 VAL N 1.0 -3.9 56.9 PSI 53 53 A 65 VAL C A 66 VAL N A 66 VAL CA A 66 VAL C 1.0 -147.9 -82.5 PHI 54 54 A 66 VAL N A 66 VAL CA A 66 VAL C A 67 SER N 1.0 100.2 141.0 PSI 55 55 A 66 VAL C A 67 SER N A 67 SER CA A 67 SER C 1.0 -145.2 -90.6 PHI 56 56 A 67 SER N A 67 SER CA A 67 SER C A 68 LYS N 1.0 84.3 178.1 PSI 57 57 A 67 SER C A 68 LYS N A 68 LYS CA A 68 LYS C 1.0 -68.9 -47.3 PHI 58 58 A 68 LYS N A 68 LYS CA A 68 LYS C A 69 ASP N 1.0 -59.0 -22.8 PSI 59 59 A 68 LYS C A 69 ASP N A 69 ASP CA A 69 ASP C 1.0 -90.3 -44.3 PHI 60 60 A 69 ASP N A 69 ASP CA A 69 ASP C A 70 GLU N 1.0 -53.1 -17.1 PSI 61 61 A 69 ASP C A 70 GLU N A 70 GLU CA A 70 GLU C 1.0 -73.6 -53.6 PHI 62 62 A 70 GLU N A 70 GLU CA A 70 GLU C A 71 ILE N 1.0 -56.2 -20.4 PSI 63 63 A 70 GLU C A 71 ILE N A 71 ILE CA A 71 ILE C 1.0 -73.3 -53.3 PHI 64 64 A 71 ILE N A 71 ILE CA A 71 ILE C A 72 GLU N 1.0 -59.0 -35.2 PSI 65 65 A 71 ILE C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -80.2 -40.0 PHI 66 66 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 LYS N 1.0 -68.8 -12.0 PSI 67 67 A 72 GLU C A 73 LYS N A 73 LYS CA A 73 LYS C 1.0 -72.5 -52.5 PHI 68 68 A 73 LYS N A 73 LYS CA A 73 LYS C A 74 PHE N 1.0 -59.7 -28.1 PSI 69 69 A 73 LYS C A 74 PHE N A 74 PHE CA A 74 PHE C 1.0 -73.2 -53.2 PHI 70 70 A 74 PHE N A 74 PHE CA A 74 PHE C A 75 ILE N 1.0 -59.0 -27.4 PSI 71 71 A 74 PHE C A 75 ILE N A 75 ILE CA A 75 ILE C 1.0 -75.7 -55.7 PHI 72 72 A 75 ILE N A 75 ILE CA A 75 ILE C A 76 ALA N 1.0 -50.6 -30.6 PSI 73 73 A 75 ILE C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -75.0 -50.4 PHI 74 74 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 ASP N 1.0 -54.1 -15.3 PSI 75 75 A 76 ALA C A 77 ASP N A 77 ASP CA A 77 ASP C 1.0 -72.4 -51.8 PHI 76 76 A 77 ASP N A 77 ASP CA A 77 ASP C A 78 VAL N 1.0 -58.3 -18.1 PSI 77 77 A 77 ASP C A 78 VAL N A 78 VAL CA A 78 VAL C 1.0 -119.2 -47.6 PHI 78 78 A 78 VAL N A 78 VAL CA A 78 VAL C A 79 THR N 1.0 -63.8 57.0 PSI 79 79 A 78 VAL C A 79 THR N A 79 THR CA A 79 THR C 1.0 46.1 69.5 PHI 80 80 A 79 THR N A 79 THR CA A 79 THR C A 80 LYS N 1.0 16.6 40.2 PSI 81 81 A 79 THR C A 80 LYS N A 80 LYS CA A 80 LYS C 1.0 -120.3 -58.9 PHI 82 82 A 80 LYS N A 80 LYS CA A 80 LYS C A 81 ASP N 1.0 -42.6 15.2 PSI 83 83 A 81 ASP C A 82 GLU N A 82 GLU CA A 82 GLU C 1.0 -144.3 -65.3 PHI 84 84 A 82 GLU N A 82 GLU CA A 82 GLU C A 83 PRO N 1.0 59.5 172.7 PSI 85 85 A 83 PRO C A 84 THR N A 84 THR CA A 84 THR C 1.0 -146.1 -67.9 PHI 86 86 A 84 THR N A 84 THR CA A 84 THR C A 85 ALA N 1.0 112.2 198.2 PSI 87 87 A 84 THR C A 85 ALA N A 85 ALA CA A 85 ALA C 1.0 -70.7 -50.7 PHI 88 88 A 85 ALA N A 85 ALA CA A 85 ALA C A 86 GLN N 1.0 -49.1 -28.7 PSI 89 89 A 85 ALA C A 86 GLN N A 86 GLN CA A 86 GLN C 1.0 -79.1 -52.5 PHI 90 90 A 86 GLN N A 86 GLN CA A 86 GLN C A 87 ASP N 1.0 -54.3 -18.9 PSI 91 91 A 86 GLN C A 87 ASP N A 87 ASP CA A 87 ASP C 1.0 -75.8 -55.8 PHI 92 92 A 87 ASP N A 87 ASP CA A 87 ASP C A 88 ILE N 1.0 -51.8 -31.8 PSI 93 93 A 87 ASP C A 88 ILE N A 88 ILE CA A 88 ILE C 1.0 -73.3 -53.3 PHI 94 94 A 88 ILE N A 88 ILE CA A 88 ILE C A 89 SER N 1.0 -55.1 -34.1 PSI 95 95 A 88 ILE C A 89 SER N A 89 SER CA A 89 SER C 1.0 -72.1 -52.1 PHI 96 96 A 89 SER N A 89 SER CA A 89 SER C A 90 ARG N 1.0 -50.4 -25.2 PSI 97 97 A 89 SER C A 90 ARG N A 90 ARG CA A 90 ARG C 1.0 -71.7 -51.7 PHI 98 98 A 90 ARG N A 90 ARG CA A 90 ARG C A 91 VAL N 1.0 -55.6 -34.4 PSI 99 99 A 90 ARG C A 91 VAL N A 91 VAL CA A 91 VAL C 1.0 -74.1 -54.1 PHI 100 100 A 91 VAL N A 91 VAL CA A 91 VAL C A 92 ALA N 1.0 -54.9 -34.3 PSI 101 101 A 91 VAL C A 92 ALA N A 92 ALA CA A 92 ALA C 1.0 -71.9 -46.1 PHI 102 102 A 92 ALA N A 92 ALA CA A 92 ALA C A 93 SER N 1.0 -52.7 -32.7 PSI 103 103 A 92 ALA C A 93 SER N A 93 SER CA A 93 SER C 1.0 -72.1 -52.1 PHI 104 104 A 93 SER N A 93 SER CA A 93 SER C A 94 ARG N 1.0 -56.3 -27.1 PSI 105 105 A 93 SER C A 94 ARG N A 94 ARG CA A 94 ARG C 1.0 -81.5 -53.9 PHI 106 106 A 94 ARG N A 94 ARG CA A 94 ARG C A 95 LEU N 1.0 -54.1 -24.7 PSI 107 107 A 94 ARG C A 95 LEU N A 95 LEU CA A 95 LEU C 1.0 -76.2 -51.4 PHI 108 108 A 95 LEU N A 95 LEU CA A 95 LEU C A 96 ALA N 1.0 -49.1 -29.1 PSI 109 109 A 95 LEU C A 96 ALA N A 96 ALA CA A 96 ALA C 1.0 -75.6 -48.0 PHI 110 110 A 96 ALA N A 96 ALA CA A 96 ALA C A 97 ALA N 1.0 -57.5 -28.1 PSI 111 111 A 96 ALA C A 97 ALA N A 97 ALA CA A 97 ALA C 1.0 -79.6 -50.2 PHI 112 112 A 97 ALA N A 97 ALA CA A 97 ALA C A 98 GLY N 1.0 -38.6 -17.0 PSI 113 113 A 97 ALA C A 98 GLY N A 98 GLY CA A 98 GLY C 1.0 -107.7 -66.3 PHI 114 114 A 98 GLY N A 98 GLY CA A 98 GLY C A 99 GLY N 1.0 -37.7 30.5 PSI 115 115 A 99 GLY C A 100 TRP N A 100 TRP CA A 100 TRP C 1.0 -131.0 -38.6 PHI 116 116 A 100 TRP N A 100 TRP CA A 100 TRP C A 101 PRO N 1.0 81.9 186.5 PSI 117 117 A 101 PRO C A 102 LEU N A 102 LEU CA A 102 LEU C 1.0 -137.1 -76.7 PHI 118 118 A 102 LEU N A 102 LEU CA A 102 LEU C A 103 ALA N 1.0 88.6 167.6 PSI 119 119 A 105 VAL C A 106 ASP N A 106 ASP CA A 106 ASP C 1.0 -150.6 -33.8 PHI 120 120 A 106 ASP N A 106 ASP CA A 106 ASP C A 107 SER N 1.0 95.4 160.4 PSI 121 121 A 106 ASP C A 107 SER N A 107 SER CA A 107 SER C 1.0 -110.3 -31.9 PHI 122 122 A 107 SER N A 107 SER CA A 107 SER C A 108 THR N 1.0 -65.7 8.7 PSI 123 123 A 107 SER C A 108 THR N A 108 THR CA A 108 THR C 1.0 -125.5 -43.9 PHI 124 124 A 108 THR N A 108 THR CA A 108 THR C A 109 ALA N 1.0 -57.2 25.4 PSI stop_ save_