data_nef_c30199_5ttb 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5TTB stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 12 GLY start . false 2 A 13 THR middle . . 3 A 14 ASP middle . . 4 A 15 ASN middle . . 5 A 16 ARG middle . . 6 A 17 HIS middle . . 7 A 18 ALA middle . . 8 A 19 ALA middle . . 9 A 20 ASP middle . . 10 A 21 TYR middle . . 11 A 22 GLN middle . . 12 A 23 GLN middle . . 13 A 24 LEU middle . . 14 A 25 ARG middle . . 15 A 26 GLU middle . . 16 A 27 ARG middle . . 17 A 28 LEU middle . . 18 A 29 ILE middle . . 19 A 30 GLN middle . . 20 A 31 GLU middle . . 21 A 32 LEU middle . . 22 A 33 ASN middle . . 23 A 34 LEU middle . . 24 A 35 THR middle . . 25 A 36 PRO middle . false 26 A 37 GLN middle . . 27 A 38 GLN middle . . 28 A 39 LEU middle . . 29 A 40 HIS middle . . 30 A 41 GLU middle . . 31 A 42 GLU middle . . 32 A 43 SER middle . . 33 A 44 ASN middle . . 34 A 45 LEU middle . . 35 A 46 ILE middle . . 36 A 47 GLN middle . . 37 A 48 ALA middle . . 38 A 49 GLY middle . false 39 A 50 LEU middle . . 40 A 51 ASP middle . . 41 A 52 SER middle . . 42 A 53 ILE middle . . 43 A 54 ARG middle . . 44 A 55 LEU middle . . 45 A 56 MET middle . . 46 A 57 ARG middle . . 47 A 58 TRP middle . . 48 A 59 LEU middle . . 49 A 60 HIS middle . . 50 A 61 TRP middle . . 51 A 62 PHE middle . . 52 A 63 ARG middle . . 53 A 64 LYS middle . . 54 A 65 ASN middle . . 55 A 66 GLY middle . false 56 A 67 TYR middle . . 57 A 68 ARG middle . . 58 A 69 LEU middle . . 59 A 70 THR middle . . 60 A 71 LEU middle . . 61 A 72 ARG middle . . 62 A 73 GLU middle . . 63 A 74 LEU middle . . 64 A 75 TYR middle . . 65 A 76 ALA middle . . 66 A 77 ALA middle . . 67 A 78 PRO middle . false 68 A 79 THR middle . . 69 A 80 LEU middle . . 70 A 81 ALA middle . . 71 A 82 ALA middle . . 72 A 83 TRP middle . . 73 A 84 ASN middle . . 74 A 85 GLN middle . . 75 A 86 LEU middle . . 76 A 87 MET middle . . 77 A 88 LEU middle . . 78 A 89 SER middle . . 79 A 90 ARG middle . . 80 A 91 SER middle . . 81 A 92 PRO middle . false 82 A 93 GLU end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 14 ASP H H 1 8.57 0.02 A 14 ASP HA H 1 4.65 0.02 A 14 ASP HBy H 1 2.75 0.02 A 14 ASP HBx H 1 2.68 0.02 A 14 ASP C C 13 176.0 0.3 A 14 ASP CA C 13 54.3 0.3 A 14 ASP CB C 13 41.1 0.3 A 14 ASP N N 15 122.9 0.3 A 15 ASN H H 1 8.42 0.02 A 15 ASN HA H 1 4.73 0.02 A 15 ASN HBy H 1 2.88 0.02 A 15 ASN HBx H 1 2.82 0.02 A 15 ASN C C 13 175.8 0.3 A 15 ASN CA C 13 53.5 0.3 A 15 ASN CB C 13 38.6 0.3 A 15 ASN N N 15 119.8 0.3 A 16 ARG H H 1 8.34 0.02 A 16 ARG HA H 1 4.21 0.02 A 16 ARG HB2 H 1 1.85 0.02 A 16 ARG HD3 H 1 3.21 0.02 A 16 ARG HG3 H 1 1.62 0.02 A 16 ARG C C 13 176.7 0.3 A 16 ARG CA C 13 57.7 0.3 A 16 ARG CB C 13 30.2 0.3 A 16 ARG CG C 13 26.8 0.3 A 16 ARG N N 15 122.1 0.3 A 17 HIS H H 1 8.39 0.02 A 17 HIS HA H 1 4.57 0.02 A 17 HIS HBy H 1 3.27 0.02 A 17 HIS HBx H 1 3.14 0.02 A 17 HIS HD2 H 1 7.04 0.02 A 17 HIS C C 13 176.3 0.3 A 17 HIS CA C 13 58.5 0.3 A 17 HIS CB C 13 30.4 0.3 A 17 HIS CD2 C 13 119.3 0.3 A 17 HIS N N 15 118.6 0.3 A 18 ALA H H 1 8.43 0.02 A 18 ALA HA H 1 4.18 0.02 A 18 ALA HB% H 1 1.58 0.02 A 18 ALA C C 13 180.0 0.3 A 18 ALA CA C 13 54.3 0.3 A 18 ALA CB C 13 18.8 0.3 A 18 ALA N N 15 122.0 0.3 A 19 ALA H H 1 8.40 0.02 A 19 ALA HA H 1 4.28 0.02 A 19 ALA HB% H 1 1.57 0.02 A 19 ALA C C 13 180.3 0.3 A 19 ALA CA C 13 55.1 0.3 A 19 ALA CB C 13 18.3 0.3 A 19 ALA N N 15 122.6 0.3 A 20 ASP H H 1 8.31 0.02 A 20 ASP HA H 1 4.84 0.02 A 20 ASP HB3 H 1 2.93 0.02 A 20 ASP C C 13 177.3 0.3 A 20 ASP CA C 13 56.7 0.3 A 20 ASP CB C 13 40.1 0.3 A 20 ASP N N 15 118.8 0.3 A 21 TYR H H 1 8.67 0.02 A 21 TYR HA H 1 4.07 0.02 A 21 TYR HB2 H 1 3.00 0.02 A 21 TYR HD1 H 1 7.00 0.02 A 21 TYR HE1 H 1 6.67 0.02 A 21 TYR C C 13 176.3 0.3 A 21 TYR CA C 13 61.8 0.3 A 21 TYR CB C 13 38.5 0.3 A 21 TYR CD1 C 13 133.0 0.3 A 21 TYR CE1 C 13 118.0 0.3 A 21 TYR N N 15 121.0 0.3 A 22 GLN H H 1 8.22 0.02 A 22 GLN HA H 1 3.83 0.02 A 22 GLN HB2 H 1 2.23 0.02 A 22 GLN HG3 H 1 2.49 0.02 A 22 GLN C C 13 178.2 0.3 A 22 GLN CA C 13 59.1 0.3 A 22 GLN CB C 13 27.5 0.3 A 22 GLN CG C 13 33.3 0.3 A 22 GLN N N 15 117.7 0.3 A 23 GLN H H 1 7.99 0.02 A 23 GLN HA H 1 4.10 0.02 A 23 GLN HBy H 1 2.45 0.02 A 23 GLN HBx H 1 2.36 0.02 A 23 GLN HG3 H 1 2.67 0.02 A 23 GLN C C 13 177.5 0.3 A 23 GLN CA C 13 59.0 0.3 A 23 GLN CB C 13 28.9 0.3 A 23 GLN CG C 13 34.9 0.3 A 23 GLN N N 15 118.5 0.3 A 24 LEU H H 1 8.02 0.02 A 24 LEU HA H 1 3.45 0.02 A 24 LEU HBy H 1 1.90 0.02 A 24 LEU HBx H 1 1.33 0.02 A 24 LEU HD1% H 1 0.97 0.02 A 24 LEU HD2% H 1 0.05 0.02 A 24 LEU HG H 1 1.33 0.02 A 24 LEU C C 13 176.9 0.3 A 24 LEU CA C 13 58.1 0.3 A 24 LEU CB C 13 41.7 0.3 A 24 LEU CD1 C 13 27.1 0.3 A 24 LEU CD2 C 13 23.6 0.3 A 24 LEU N N 15 121.9 0.3 A 25 ARG H H 1 7.97 0.02 A 25 ARG HA H 1 3.40 0.02 A 25 ARG HBx H 1 1.21 0.02 A 25 ARG HBy H 1 1.57 0.02 A 25 ARG HD3 H 1 3.02 0.02 A 25 ARG HG3 H 1 1.30 0.02 A 25 ARG C C 13 177.5 0.3 A 25 ARG CA C 13 60.2 0.3 A 25 ARG CB C 13 29.9 0.3 A 25 ARG CD C 13 43.5 0.3 A 25 ARG CG C 13 27.9 0.3 A 25 ARG N N 15 116.6 0.3 A 26 GLU H H 1 8.16 0.02 A 26 GLU HA H 1 3.83 0.02 A 26 GLU HBy H 1 2.10 0.02 A 26 GLU HBx H 1 2.00 0.02 A 26 GLU HGx H 1 2.26 0.02 A 26 GLU HGy H 1 2.45 0.02 A 26 GLU C C 13 179.7 0.3 A 26 GLU CA C 13 59.5 0.3 A 26 GLU CB C 13 29.5 0.3 A 26 GLU CG C 13 36.6 0.3 A 26 GLU N N 15 115.9 0.3 A 27 ARG H H 1 8.28 0.02 A 27 ARG HA H 1 4.13 0.02 A 27 ARG HB2 H 1 2.00 0.02 A 27 ARG HDy H 1 3.02 0.02 A 27 ARG HDx H 1 2.79 0.02 A 27 ARG HGy H 1 1.84 0.02 A 27 ARG HGx H 1 1.66 0.02 A 27 ARG C C 13 179.2 0.3 A 27 ARG CA C 13 59.0 0.3 A 27 ARG CB C 13 30.1 0.3 A 27 ARG CD C 13 43.3 0.3 A 27 ARG CG C 13 27.8 0.3 A 27 ARG N N 15 118.8 0.3 A 28 LEU H H 1 8.38 0.02 A 28 LEU HA H 1 4.10 0.02 A 28 LEU HBx H 1 0.93 0.02 A 28 LEU HBy H 1 1.74 0.02 A 28 LEU HD1% H 1 0.31 0.02 A 28 LEU HD2% H 1 0.44 0.02 A 28 LEU HG H 1 1.33 0.02 A 28 LEU C C 13 178.8 0.3 A 28 LEU CA C 13 58.5 0.3 A 28 LEU CB C 13 42.5 0.3 A 28 LEU CD1 C 13 26.7 0.3 A 28 LEU CD2 C 13 24.2 0.3 A 28 LEU CG C 13 26.9 0.3 A 28 LEU N N 15 122.1 0.3 A 29 ILE H H 1 7.91 0.02 A 29 ILE HA H 1 3.34 0.02 A 29 ILE HB H 1 1.87 0.02 A 29 ILE HD1% H 1 0.73 0.02 A 29 ILE HG12 H 1 1.72 0.02 A 29 ILE HG2% H 1 0.76 0.02 A 29 ILE C C 13 177.9 0.3 A 29 ILE CA C 13 66.2 0.3 A 29 ILE CB C 13 37.8 0.3 A 29 ILE CD1 C 13 14.1 0.3 A 29 ILE CG1 C 13 30.4 0.3 A 29 ILE CG2 C 13 17.2 0.3 A 29 ILE N N 15 117.6 0.3 A 30 GLN H H 1 7.27 0.02 A 30 GLN HA H 1 4.16 0.02 A 30 GLN HB2 H 1 2.20 0.02 A 30 GLN HGy H 1 2.54 0.02 A 30 GLN HGx H 1 2.42 0.02 A 30 GLN C C 13 179.4 0.3 A 30 GLN CA C 13 58.4 0.3 A 30 GLN CB C 13 28.7 0.3 A 30 GLN CG C 13 33.6 0.3 A 30 GLN N N 15 116.4 0.3 A 31 GLU H H 1 8.80 0.02 A 31 GLU HA H 1 4.02 0.02 A 31 GLU HBx H 1 2.10 0.02 A 31 GLU HBy H 1 2.23 0.02 A 31 GLU HG3 H 1 2.44 0.02 A 31 GLU C C 13 178.4 0.3 A 31 GLU CA C 13 59.4 0.3 A 31 GLU CB C 13 30.5 0.3 A 31 GLU N N 15 120.3 0.3 A 32 LEU H H 1 8.10 0.02 A 32 LEU HA H 1 4.38 0.02 A 32 LEU HBx H 1 1.49 0.02 A 32 LEU HBy H 1 1.67 0.02 A 32 LEU HD1% H 1 0.67 0.02 A 32 LEU HD2% H 1 0.67 0.02 A 32 LEU HG H 1 1.76 0.02 A 32 LEU C C 13 176.0 0.3 A 32 LEU CA C 13 54.1 0.3 A 32 LEU CB C 13 41.3 0.3 A 32 LEU CD1 C 13 21.5 0.3 A 32 LEU CD2 C 13 25.9 0.3 A 32 LEU CG C 13 26.7 0.3 A 32 LEU N N 15 115.1 0.3 A 33 ASN H H 1 7.79 0.02 A 33 ASN HA H 1 4.45 0.02 A 33 ASN HBy H 1 3.14 0.02 A 33 ASN HBx H 1 2.74 0.02 A 33 ASN C C 13 174.3 0.3 A 33 ASN CA C 13 54.0 0.3 A 33 ASN CB C 13 36.9 0.3 A 33 ASN N N 15 116.7 0.3 A 34 LEU H H 1 7.72 0.02 A 34 LEU HA H 1 4.81 0.02 A 34 LEU HBy H 1 1.53 0.02 A 34 LEU HBx H 1 1.41 0.02 A 34 LEU HD1% H 1 0.71 0.02 A 34 LEU HD2% H 1 0.80 0.02 A 34 LEU HG H 1 1.53 0.02 A 34 LEU C C 13 176.5 0.3 A 34 LEU CA C 13 53.1 0.3 A 34 LEU CB C 13 44.7 0.3 A 34 LEU CD1 C 13 26.7 0.3 A 34 LEU CD2 C 13 22.4 0.3 A 34 LEU CG C 13 26.3 0.3 A 34 LEU N N 15 117.1 0.3 A 35 THR H H 1 8.00 0.02 A 35 THR HA H 1 4.76 0.02 A 35 THR HB H 1 4.56 0.02 A 35 THR HG2% H 1 1.26 0.02 A 35 THR C C 13 174.4 0.3 A 35 THR CA C 13 59.5 0.3 A 35 THR CB C 13 68.6 0.3 A 35 THR CG2 C 13 21.7 0.3 A 35 THR N N 15 110.7 0.3 A 36 PRO HA H 1 4.08 0.02 A 36 PRO HBx H 1 1.92 0.02 A 36 PRO HBy H 1 2.38 0.02 A 36 PRO HD3 H 1 3.88 0.02 A 36 PRO HGx H 1 2.04 0.02 A 36 PRO HGy H 1 2.20 0.02 A 36 PRO CA C 13 65.6 0.3 A 36 PRO CB C 13 31.8 0.3 A 36 PRO CD C 13 50.3 0.3 A 36 PRO CG C 13 28.3 0.3 A 37 GLN H H 1 8.00 0.02 A 37 GLN HA H 1 4.10 0.02 A 37 GLN HBy H 1 2.04 0.02 A 37 GLN HBx H 1 1.92 0.02 A 37 GLN HGy H 1 2.48 0.02 A 37 GLN HGx H 1 2.39 0.02 A 37 GLN C C 13 177.0 0.3 A 37 GLN CA C 13 57.9 0.3 A 37 GLN CB C 13 28.0 0.3 A 37 GLN CG C 13 34.4 0.3 A 37 GLN N N 15 112.9 0.3 A 38 GLN H H 1 7.66 0.02 A 38 GLN HA H 1 4.18 0.02 A 38 GLN HB2 H 1 2.15 0.02 A 38 GLN HG3 H 1 2.35 0.02 A 38 GLN C C 13 175.5 0.3 A 38 GLN CA C 13 56.4 0.3 A 38 GLN CB C 13 31.1 0.3 A 38 GLN CG C 13 35.0 0.3 A 38 GLN N N 15 116.5 0.3 A 39 LEU H H 1 7.29 0.02 A 39 LEU HA H 1 4.36 0.02 A 39 LEU HBx H 1 1.00 0.02 A 39 LEU HBy H 1 1.72 0.02 A 39 LEU HD1% H 1 0.63 0.02 A 39 LEU HD2% H 1 0.64 0.02 A 39 LEU HG H 1 1.25 0.02 A 39 LEU C C 13 174.3 0.3 A 39 LEU CA C 13 54.0 0.3 A 39 LEU CB C 13 41.8 0.3 A 39 LEU CD1 C 13 26.6 0.3 A 39 LEU CD2 C 13 23.0 0.3 A 39 LEU CG C 13 27.9 0.3 A 39 LEU N N 15 120.7 0.3 A 40 HIS H H 1 8.15 0.02 A 40 HIS HBx H 1 3.15 0.02 A 40 HIS HBy H 1 3.26 0.02 A 40 HIS HD2 H 1 7.00 0.02 A 40 HIS HE1 H 1 8.10 0.02 A 40 HIS C C 13 176.7 0.3 A 40 HIS CA C 13 54.8 0.3 A 40 HIS CB C 13 31.4 0.3 A 40 HIS CD2 C 13 119.3 0.3 A 40 HIS CE1 C 13 137.5 0.3 A 40 HIS N N 15 124.6 0.3 A 42 GLU H H 1 8.78 0.02 A 42 GLU HA H 1 4.54 0.02 A 42 GLU HBy H 1 2.32 0.02 A 42 GLU HBx H 1 1.91 0.02 A 42 GLU HG3 H 1 2.19 0.02 A 42 GLU C C 13 176.7 0.3 A 42 GLU CA C 13 55.3 0.3 A 42 GLU CB C 13 29.0 0.3 A 42 GLU N N 15 113.8 0.3 A 43 SER H H 1 7.48 0.02 A 43 SER HA H 1 4.09 0.02 A 43 SER HBx H 1 3.64 0.02 A 43 SER HBy H 1 3.71 0.02 A 43 SER C C 13 173.7 0.3 A 43 SER CA C 13 60.2 0.3 A 43 SER CB C 13 62.8 0.3 A 43 SER N N 15 118.1 0.3 A 44 ASN H H 1 8.81 0.02 A 44 ASN HA H 1 4.40 0.02 A 44 ASN HBy H 1 2.82 0.02 A 44 ASN HBx H 1 2.73 0.02 A 44 ASN C C 13 176.9 0.3 A 44 ASN CA C 13 54.0 0.3 A 44 ASN CB C 13 38.5 0.3 A 44 ASN N N 15 123.2 0.3 A 45 LEU H H 1 9.37 0.02 A 45 LEU HA H 1 3.72 0.02 A 45 LEU HB2 H 1 1.06 0.02 A 45 LEU HD1% H 1 0.40 0.02 A 45 LEU HD2% H 1 -0.63 0.02 A 45 LEU HG H 1 1.36 0.02 A 45 LEU C C 13 178.2 0.3 A 45 LEU CA C 13 57.1 0.3 A 45 LEU CB C 13 42.3 0.3 A 45 LEU CD1 C 13 22.6 0.3 A 45 LEU CD2 C 13 23.6 0.3 A 45 LEU CG C 13 26.6 0.3 A 45 LEU N N 15 128.7 0.3 A 46 ILE H H 1 7.65 0.02 A 46 ILE HA H 1 4.16 0.02 A 46 ILE HB H 1 2.21 0.02 A 46 ILE HD1% H 1 0.90 0.02 A 46 ILE HG1y H 1 1.57 0.02 A 46 ILE HG1x H 1 1.38 0.02 A 46 ILE HG2% H 1 1.00 0.02 A 46 ILE C C 13 180.9 0.3 A 46 ILE CA C 13 63.9 0.3 A 46 ILE CB C 13 36.7 0.3 A 46 ILE CD1 C 13 12.7 0.3 A 46 ILE CG1 C 13 28.3 0.3 A 46 ILE CG2 C 13 16.7 0.3 A 46 ILE N N 15 119.3 0.3 A 47 GLN H H 1 8.16 0.02 A 47 GLN HA H 1 3.99 0.02 A 47 GLN HB2 H 1 2.14 0.02 A 47 GLN HG3 H 1 2.39 0.02 A 47 GLN C C 13 177.7 0.3 A 47 GLN CA C 13 58.1 0.3 A 47 GLN CB C 13 28.0 0.3 A 47 GLN CG C 13 34.1 0.3 A 47 GLN N N 15 121.8 0.3 A 48 ALA H H 1 7.45 0.02 A 48 ALA HA H 1 4.26 0.02 A 48 ALA HB% H 1 1.40 0.02 A 48 ALA C C 13 176.6 0.3 A 48 ALA CA C 13 52.7 0.3 A 48 ALA CB C 13 18.5 0.3 A 48 ALA N N 15 117.8 0.3 A 49 GLY H H 1 7.43 0.02 A 49 GLY HAy H 1 4.55 0.02 A 49 GLY HAx H 1 3.69 0.02 A 49 GLY C C 13 174.5 0.3 A 49 GLY CA C 13 45.0 0.3 A 49 GLY N N 15 102.9 0.3 A 50 LEU H H 1 8.54 0.02 A 50 LEU HA H 1 4.27 0.02 A 50 LEU HB2 H 1 1.46 0.02 A 50 LEU HD1% H 1 0.93 0.02 A 50 LEU HD2% H 1 0.83 0.02 A 50 LEU HG H 1 1.67 0.02 A 50 LEU C C 13 173.5 0.3 A 50 LEU CA C 13 55.9 0.3 A 50 LEU CB C 13 41.4 0.3 A 50 LEU CD1 C 13 25.8 0.3 A 50 LEU CD2 C 13 26.8 0.3 A 50 LEU N N 15 123.1 0.3 A 51 ASP H H 1 7.46 0.02 A 51 ASP HA H 1 4.82 0.02 A 51 ASP HBy H 1 3.21 0.02 A 51 ASP HBx H 1 2.79 0.02 A 51 ASP C C 13 176.2 0.3 A 51 ASP CA C 13 52.3 0.3 A 51 ASP CB C 13 42.3 0.3 A 51 ASP N N 15 123.7 0.3 A 52 SER H H 1 8.62 0.02 A 52 SER HA H 1 4.02 0.02 A 52 SER HB3 H 1 4.17 0.02 A 52 SER C C 13 176.7 0.3 A 52 SER CA C 13 62.5 0.3 A 52 SER CB C 13 62.4 0.3 A 52 SER N N 15 113.6 0.3 A 53 ILE H H 1 7.69 0.02 A 53 ILE HA H 1 3.88 0.02 A 53 ILE HB H 1 2.12 0.02 A 53 ILE HD1% H 1 0.90 0.02 A 53 ILE HG1y H 1 1.62 0.02 A 53 ILE HG1x H 1 1.28 0.02 A 53 ILE HG2% H 1 0.92 0.02 A 53 ILE C C 13 179.4 0.3 A 53 ILE CA C 13 64.2 0.3 A 53 ILE CB C 13 37.2 0.3 A 53 ILE CD1 C 13 12.2 0.3 A 53 ILE CG1 C 13 28.8 0.3 A 53 ILE CG2 C 13 17.3 0.3 A 53 ILE N N 15 122.6 0.3 A 54 ARG H H 1 8.33 0.02 A 54 ARG HA H 1 4.08 0.02 A 54 ARG HBy H 1 2.04 0.02 A 54 ARG HBx H 1 1.95 0.02 A 54 ARG HD3 H 1 3.29 0.02 A 54 ARG HG3 H 1 1.76 0.02 A 54 ARG C C 13 179.6 0.3 A 54 ARG CA C 13 59.7 0.3 A 54 ARG CB C 13 30.7 0.3 A 54 ARG CD C 13 43.7 0.3 A 54 ARG CG C 13 29.1 0.3 A 54 ARG N N 15 121.3 0.3 A 55 LEU H H 1 9.06 0.02 A 55 LEU HA H 1 4.33 0.02 A 55 LEU HBy H 1 1.81 0.02 A 55 LEU HBx H 1 1.68 0.02 A 55 LEU HD1% H 1 0.91 0.02 A 55 LEU HD2% H 1 0.81 0.02 A 55 LEU C C 13 178.5 0.3 A 55 LEU CA C 13 59.1 0.3 A 55 LEU CB C 13 41.7 0.3 A 55 LEU CD1 C 13 24.9 0.3 A 55 LEU CD2 C 13 25.1 0.3 A 55 LEU CG C 13 28.0 0.3 A 55 LEU N N 15 121.3 0.3 A 56 MET H H 1 7.89 0.02 A 56 MET HA H 1 4.27 0.02 A 56 MET HBx H 1 2.22 0.02 A 56 MET HBy H 1 2.31 0.02 A 56 MET HE% H 1 2.14 0.02 A 56 MET HG3 H 1 2.72 0.02 A 56 MET C C 13 178.4 0.3 A 56 MET CA C 13 58.0 0.3 A 56 MET CB C 13 31.2 0.3 A 56 MET CE C 13 16.8 0.3 A 56 MET CG C 13 32.4 0.3 A 56 MET N N 15 117.8 0.3 A 57 ARG H H 1 7.58 0.02 A 57 ARG HA H 1 4.10 0.02 A 57 ARG HBx H 1 1.77 0.02 A 57 ARG HBy H 1 1.88 0.02 A 57 ARG HD3 H 1 3.04 0.02 A 57 ARG HGy H 1 1.75 0.02 A 57 ARG HGx H 1 1.48 0.02 A 57 ARG C C 13 180.4 0.3 A 57 ARG CA C 13 59.7 0.3 A 57 ARG CB C 13 29.5 0.3 A 57 ARG CD C 13 43.7 0.3 A 57 ARG CG C 13 27.0 0.3 A 57 ARG N N 15 119.6 0.3 A 58 TRP H H 1 8.21 0.02 A 58 TRP HA H 1 4.47 0.02 A 58 TRP HBx H 1 3.25 0.02 A 58 TRP HBy H 1 3.46 0.02 A 58 TRP HD1 H 1 7.17 0.02 A 58 TRP HE1 H 1 11.06 0.02 A 58 TRP HH2 H 1 6.50 0.02 A 58 TRP HZ2 H 1 6.89 0.02 A 58 TRP C C 13 178.0 0.3 A 58 TRP CA C 13 61.1 0.3 A 58 TRP CB C 13 28.2 0.3 A 58 TRP CD1 C 13 126.1 0.3 A 58 TRP CH2 C 13 123.4 0.3 A 58 TRP CZ2 C 13 114.1 0.3 A 58 TRP N N 15 121.8 0.3 A 58 TRP NE1 N 15 131.3 0.3 A 59 LEU H H 1 8.58 0.02 A 59 LEU HA H 1 4.26 0.02 A 59 LEU HBx H 1 1.49 0.02 A 59 LEU HBy H 1 2.30 0.02 A 59 LEU HD1% H 1 0.78 0.02 A 59 LEU HD2% H 1 0.98 0.02 A 59 LEU HG H 1 1.59 0.02 A 59 LEU C C 13 178.8 0.3 A 59 LEU CA C 13 59.0 0.3 A 59 LEU CB C 13 40.8 0.3 A 59 LEU CD1 C 13 23.4 0.3 A 59 LEU CD2 C 13 25.9 0.3 A 59 LEU CG C 13 27.0 0.3 A 59 LEU N N 15 121.5 0.3 A 60 HIS H H 1 7.88 0.02 A 60 HIS HA H 1 4.39 0.02 A 60 HIS HB2 H 1 3.27 0.02 A 60 HIS HD2 H 1 7.04 0.02 A 60 HIS C C 13 177.6 0.3 A 60 HIS CA C 13 59.8 0.3 A 60 HIS CB C 13 30.0 0.3 A 60 HIS N N 15 116.9 0.3 A 61 TRP H H 1 8.16 0.02 A 61 TRP HA H 1 4.02 0.02 A 61 TRP HBy H 1 3.73 0.02 A 61 TRP HBx H 1 3.01 0.02 A 61 TRP HD1 H 1 7.10 0.02 A 61 TRP HE1 H 1 9.93 0.02 A 61 TRP HE3 H 1 6.65 0.02 A 61 TRP HH2 H 1 7.09 0.02 A 61 TRP HZ2 H 1 7.33 0.02 A 61 TRP HZ3 H 1 6.43 0.02 A 61 TRP C C 13 179.3 0.3 A 61 TRP CA C 13 62.6 0.3 A 61 TRP CB C 13 28.8 0.3 A 61 TRP CD1 C 13 126.6 0.3 A 61 TRP CE3 C 13 120.2 0.3 A 61 TRP CH2 C 13 124.1 0.3 A 61 TRP CZ2 C 13 113.5 0.3 A 61 TRP CZ3 C 13 122.0 0.3 A 61 TRP N N 15 123.2 0.3 A 61 TRP NE1 N 15 128.4 0.3 A 62 PHE H H 1 9.45 0.02 A 62 PHE HA H 1 4.21 0.02 A 62 PHE HBx H 1 3.29 0.02 A 62 PHE HBy H 1 3.37 0.02 A 62 PHE HD1 H 1 7.19 0.02 A 62 PHE HE1 H 1 6.89 0.02 A 62 PHE HZ H 1 7.04 0.02 A 62 PHE C C 13 179.1 0.3 A 62 PHE CA C 13 63.7 0.3 A 62 PHE CB C 13 38.7 0.3 A 62 PHE CD1 C 13 132.0 0.3 A 62 PHE CE1 C 13 131.1 0.3 A 62 PHE CZ C 13 129.9 0.3 A 62 PHE N N 15 120.0 0.3 A 63 ARG H H 1 8.63 0.02 A 63 ARG HA H 1 4.26 0.02 A 63 ARG HB2 H 1 2.00 0.02 A 63 ARG HD3 H 1 3.33 0.02 A 63 ARG HG3 H 1 1.85 0.02 A 63 ARG C C 13 181.3 0.3 A 63 ARG CA C 13 59.3 0.3 A 63 ARG CB C 13 29.7 0.3 A 63 ARG CD C 13 43.2 0.3 A 63 ARG CG C 13 28.0 0.3 A 63 ARG N N 15 118.5 0.3 A 64 LYS H H 1 8.70 0.02 A 64 LYS HA H 1 4.02 0.02 A 64 LYS HBx H 1 1.73 0.02 A 64 LYS HBy H 1 1.83 0.02 A 64 LYS HD3 H 1 1.57 0.02 A 64 LYS HE3 H 1 2.90 0.02 A 64 LYS HG3 H 1 1.35 0.02 A 64 LYS C C 13 177.6 0.3 A 64 LYS CA C 13 58.7 0.3 A 64 LYS CB C 13 31.4 0.3 A 64 LYS CD C 13 29.4 0.3 A 64 LYS CE C 13 42.0 0.3 A 64 LYS CG C 13 24.4 0.3 A 64 LYS N N 15 122.8 0.3 A 65 ASN H H 1 7.24 0.02 A 65 ASN HA H 1 4.53 0.02 A 65 ASN HBx H 1 2.13 0.02 A 65 ASN HBy H 1 2.72 0.02 A 65 ASN C C 13 173.4 0.3 A 65 ASN CA C 13 53.7 0.3 A 65 ASN CB C 13 39.0 0.3 A 65 ASN N N 15 115.7 0.3 A 66 GLY H H 1 7.59 0.02 A 66 GLY HAx H 1 3.58 0.02 A 66 GLY HAy H 1 4.00 0.02 A 66 GLY C C 13 173.9 0.3 A 66 GLY CA C 13 45.5 0.3 A 66 GLY N N 15 105.2 0.3 A 67 TYR H H 1 8.25 0.02 A 67 TYR HA H 1 4.55 0.02 A 67 TYR HBx H 1 2.60 0.02 A 67 TYR HBy H 1 3.00 0.02 A 67 TYR HD1 H 1 7.29 0.02 A 67 TYR HE1 H 1 6.88 0.02 A 67 TYR C C 13 175.8 0.3 A 67 TYR CA C 13 57.9 0.3 A 67 TYR CB C 13 38.5 0.3 A 67 TYR CD1 C 13 133.4 0.3 A 67 TYR CE1 C 13 118.3 0.3 A 67 TYR N N 15 119.7 0.3 A 68 ARG H H 1 8.55 0.02 A 68 ARG HA H 1 4.38 0.02 A 68 ARG HBy H 1 1.87 0.02 A 68 ARG HBx H 1 1.71 0.02 A 68 ARG HD3 H 1 3.18 0.02 A 68 ARG HGx H 1 1.53 0.02 A 68 ARG HGy H 1 1.63 0.02 A 68 ARG C C 13 174.5 0.3 A 68 ARG CA C 13 55.6 0.3 A 68 ARG CB C 13 28.4 0.3 A 68 ARG CD C 13 43.6 0.3 A 68 ARG CG C 13 27.2 0.3 A 68 ARG N N 15 125.6 0.3 A 69 LEU H H 1 7.42 0.02 A 69 LEU HA H 1 4.72 0.02 A 69 LEU HBy H 1 1.40 0.02 A 69 LEU HBx H 1 1.28 0.02 A 69 LEU HD1% H 1 0.29 0.02 A 69 LEU HD2% H 1 0.11 0.02 A 69 LEU HG H 1 1.25 0.02 A 69 LEU C C 13 175.6 0.3 A 69 LEU CA C 13 53.4 0.3 A 69 LEU CB C 13 44.3 0.3 A 69 LEU CD1 C 13 25.2 0.3 A 69 LEU CD2 C 13 24.5 0.3 A 69 LEU CG C 13 26.9 0.3 A 69 LEU N N 15 122.0 0.3 A 70 THR H H 1 8.14 0.02 A 70 THR HA H 1 4.71 0.02 A 70 THR HB H 1 4.57 0.02 A 70 THR HG2% H 1 1.16 0.02 A 70 THR C C 13 174.6 0.3 A 70 THR CA C 13 59.4 0.3 A 70 THR CB C 13 72.1 0.3 A 70 THR CG2 C 13 21.6 0.3 A 70 THR N N 15 109.8 0.3 A 71 LEU H H 1 8.82 0.02 A 71 LEU HA H 1 3.89 0.02 A 71 LEU HBx H 1 1.67 0.02 A 71 LEU HBy H 1 1.89 0.02 A 71 LEU HD1% H 1 1.01 0.02 A 71 LEU HD2% H 1 1.02 0.02 A 71 LEU HG H 1 1.78 0.02 A 71 LEU C C 13 178.7 0.3 A 71 LEU CA C 13 58.2 0.3 A 71 LEU CB C 13 42.0 0.3 A 71 LEU CD1 C 13 25.6 0.3 A 71 LEU CD2 C 13 24.1 0.3 A 71 LEU CG C 13 26.9 0.3 A 71 LEU N N 15 122.6 0.3 A 72 ARG H H 1 8.22 0.02 A 72 ARG HA H 1 3.92 0.02 A 72 ARG HBx H 1 1.74 0.02 A 72 ARG HBy H 1 1.87 0.02 A 72 ARG HD3 H 1 3.19 0.02 A 72 ARG C C 13 179.0 0.3 A 72 ARG CA C 13 59.1 0.3 A 72 ARG CB C 13 29.6 0.3 A 72 ARG CD C 13 43.5 0.3 A 72 ARG N N 15 116.0 0.3 A 73 GLU H H 1 7.45 0.02 A 73 GLU HA H 1 3.93 0.02 A 73 GLU HB3 H 1 1.90 0.02 A 73 GLU HG3 H 1 2.22 0.02 A 73 GLU C C 13 178.7 0.3 A 73 GLU CA C 13 59.1 0.3 A 73 GLU CB C 13 29.7 0.3 A 73 GLU CG C 13 37.9 0.3 A 73 GLU N N 15 117.7 0.3 A 74 LEU H H 1 7.42 0.02 A 74 LEU HA H 1 3.91 0.02 A 74 LEU HBx H 1 1.19 0.02 A 74 LEU HBy H 1 1.90 0.02 A 74 LEU HD1% H 1 -0.76 0.02 A 74 LEU HD2% H 1 0.39 0.02 A 74 LEU HG H 1 1.38 0.02 A 74 LEU C C 13 179.4 0.3 A 74 LEU CA C 13 57.5 0.3 A 74 LEU CB C 13 41.5 0.3 A 74 LEU CD1 C 13 19.9 0.3 A 74 LEU CD2 C 13 25.5 0.3 A 74 LEU CG C 13 25.5 0.3 A 74 LEU N N 15 117.9 0.3 A 75 TYR H H 1 8.07 0.02 A 75 TYR HA H 1 4.06 0.02 A 75 TYR HB2 H 1 2.98 0.02 A 75 TYR HD1 H 1 7.11 0.02 A 75 TYR HE1 H 1 6.80 0.02 A 75 TYR C C 13 176.9 0.3 A 75 TYR CA C 13 60.9 0.3 A 75 TYR CB C 13 39.7 0.3 A 75 TYR CD1 C 13 132.9 0.3 A 75 TYR CE1 C 13 118.1 0.3 A 75 TYR N N 15 114.8 0.3 A 76 ALA H H 1 7.74 0.02 A 76 ALA HA H 1 4.05 0.02 A 76 ALA HB% H 1 1.51 0.02 A 76 ALA C C 13 178.2 0.3 A 76 ALA CA C 13 54.5 0.3 A 76 ALA CB C 13 18.5 0.3 A 76 ALA N N 15 119.2 0.3 A 77 ALA H H 1 6.71 0.02 A 77 ALA HB% H 1 1.33 0.02 A 77 ALA C C 13 173.8 0.3 A 77 ALA CA C 13 49.7 0.3 A 77 ALA CB C 13 19.2 0.3 A 77 ALA N N 15 116.9 0.3 A 78 PRO HA H 1 5.02 0.02 A 78 PRO HBy H 1 2.09 0.02 A 78 PRO HBx H 1 1.92 0.02 A 78 PRO HD3 H 1 3.58 0.02 A 78 PRO HG3 H 1 2.16 0.02 A 78 PRO C C 13 173.1 0.3 A 78 PRO CA C 13 61.5 0.3 A 78 PRO CB C 13 28.6 0.3 A 79 THR H H 1 7.65 0.02 A 79 THR HA H 1 4.40 0.02 A 79 THR HB H 1 4.50 0.02 A 79 THR HG2% H 1 0.86 0.02 A 79 THR C C 13 173.0 0.3 A 79 THR CA C 13 58.0 0.3 A 79 THR CB C 13 72.3 0.3 A 79 THR CG2 C 13 21.2 0.3 A 79 THR N N 15 111.9 0.3 A 80 LEU H H 1 9.59 0.02 A 80 LEU HA H 1 3.75 0.02 A 80 LEU HBx H 1 1.59 0.02 A 80 LEU HBy H 1 1.91 0.02 A 80 LEU HD1% H 1 0.59 0.02 A 80 LEU HD2% H 1 0.65 0.02 A 80 LEU C C 13 179.0 0.3 A 80 LEU CA C 13 58.2 0.3 A 80 LEU CB C 13 41.6 0.3 A 80 LEU CD1 C 13 24.0 0.3 A 80 LEU CD2 C 13 24.9 0.3 A 80 LEU N N 15 123.2 0.3 A 81 ALA H H 1 8.82 0.02 A 81 ALA HA H 1 4.15 0.02 A 81 ALA HB% H 1 1.31 0.02 A 81 ALA C C 13 181.0 0.3 A 81 ALA CA C 13 54.9 0.3 A 81 ALA CB C 13 18.4 0.3 A 81 ALA N N 15 119.7 0.3 A 82 ALA H H 1 8.26 0.02 A 82 ALA HA H 1 4.23 0.02 A 82 ALA HB% H 1 1.67 0.02 A 82 ALA C C 13 181.9 0.3 A 82 ALA CA C 13 54.8 0.3 A 82 ALA CB C 13 19.1 0.3 A 82 ALA N N 15 122.1 0.3 A 83 TRP H H 1 9.37 0.02 A 83 TRP HA H 1 4.54 0.02 A 83 TRP HBx H 1 3.12 0.02 A 83 TRP HBy H 1 3.32 0.02 A 83 TRP HD1 H 1 7.26 0.02 A 83 TRP HE1 H 1 9.97 0.02 A 83 TRP HE3 H 1 7.27 0.02 A 83 TRP HH2 H 1 6.55 0.02 A 83 TRP HZ2 H 1 6.79 0.02 A 83 TRP HZ3 H 1 5.96 0.02 A 83 TRP C C 13 178.6 0.3 A 83 TRP CA C 13 59.6 0.3 A 83 TRP CB C 13 28.2 0.3 A 83 TRP CD1 C 13 124.6 0.3 A 83 TRP CE3 C 13 119.9 0.3 A 83 TRP CH2 C 13 123.4 0.3 A 83 TRP CZ2 C 13 112.3 0.3 A 83 TRP CZ3 C 13 120.0 0.3 A 83 TRP N N 15 123.4 0.3 A 83 TRP NE1 N 15 127.7 0.3 A 84 ASN H H 1 9.12 0.02 A 84 ASN HA H 1 4.62 0.02 A 84 ASN HBy H 1 2.96 0.02 A 84 ASN HBx H 1 2.83 0.02 A 84 ASN C C 13 177.2 0.3 A 84 ASN CA C 13 57.1 0.3 A 84 ASN CB C 13 39.2 0.3 A 84 ASN N N 15 118.2 0.3 A 85 GLN H H 1 7.50 0.02 A 85 GLN HA H 1 4.00 0.02 A 85 GLN HB2 H 1 2.24 0.02 A 85 GLN HG3 H 1 2.51 0.02 A 85 GLN C C 13 179.5 0.3 A 85 GLN CA C 13 58.8 0.3 A 85 GLN CB C 13 27.8 0.3 A 85 GLN CG C 13 34.0 0.3 A 85 GLN N N 15 116.3 0.3 A 86 LEU H H 1 8.16 0.02 A 86 LEU HA H 1 4.02 0.02 A 86 LEU HBx H 1 1.21 0.02 A 86 LEU HBy H 1 1.94 0.02 A 86 LEU HD1% H 1 0.69 0.02 A 86 LEU HD2% H 1 0.75 0.02 A 86 LEU HG H 1 1.77 0.02 A 86 LEU C C 13 179.2 0.3 A 86 LEU CA C 13 58.0 0.3 A 86 LEU CB C 13 41.9 0.3 A 86 LEU CD1 C 13 25.6 0.3 A 86 LEU CD2 C 13 23.1 0.3 A 86 LEU N N 15 121.6 0.3 A 87 MET H H 1 8.18 0.02 A 87 MET HA H 1 3.75 0.02 A 87 MET HBy H 1 2.44 0.02 A 87 MET HBx H 1 2.15 0.02 A 87 MET HE% H 1 2.05 0.02 A 87 MET HG3 H 1 2.63 0.02 A 87 MET C C 13 178.2 0.3 A 87 MET CA C 13 59.5 0.3 A 87 MET CB C 13 34.8 0.3 A 87 MET CE C 13 17.0 0.3 A 87 MET CG C 13 32.6 0.3 A 87 MET N N 15 117.9 0.3 A 88 LEU H H 1 7.89 0.02 A 88 LEU HA H 1 4.06 0.02 A 88 LEU HBy H 1 1.77 0.02 A 88 LEU HBx H 1 1.47 0.02 A 88 LEU HD1% H 1 0.72 0.02 A 88 LEU HD2% H 1 0.59 0.02 A 88 LEU HG H 1 1.59 0.02 A 88 LEU C C 13 179.2 0.3 A 88 LEU CA C 13 57.1 0.3 A 88 LEU CB C 13 42.4 0.3 A 88 LEU CD1 C 13 25.3 0.3 A 88 LEU CD2 C 13 22.6 0.3 A 88 LEU CG C 13 26.6 0.3 A 88 LEU N N 15 117.6 0.3 A 89 SER H H 1 7.95 0.02 A 89 SER HA H 1 4.46 0.02 A 89 SER HBy H 1 4.05 0.02 A 89 SER HBx H 1 4.01 0.02 A 89 SER C C 13 175.1 0.3 A 89 SER CA C 13 59.9 0.3 A 89 SER CB C 13 64.0 0.3 A 89 SER N N 15 113.2 0.3 A 90 ARG H H 1 7.92 0.02 A 90 ARG HA H 1 4.71 0.02 A 90 ARG HBy H 1 2.05 0.02 A 90 ARG HBx H 1 1.84 0.02 A 90 ARG HD3 H 1 3.17 0.02 A 90 ARG HGy H 1 1.73 0.02 A 90 ARG HGx H 1 1.64 0.02 A 90 ARG C C 13 175.7 0.3 A 90 ARG CA C 13 53.9 0.3 A 90 ARG CB C 13 29.6 0.3 A 90 ARG CD C 13 42.5 0.3 A 90 ARG CG C 13 26.9 0.3 A 90 ARG N N 15 122.1 0.3 A 91 SER H H 1 7.75 0.02 A 91 SER C C 13 172.9 0.3 A 91 SER CA C 13 57.1 0.3 A 91 SER CB C 13 63.4 0.3 A 91 SER N N 15 117.2 0.3 A 92 PRO HA H 1 4.42 0.02 A 92 PRO HBx H 1 1.92 0.02 A 92 PRO HBy H 1 2.14 0.02 A 92 PRO HDx H 1 3.38 0.02 A 92 PRO HDy H 1 3.59 0.02 A 92 PRO HGx H 1 1.73 0.02 A 92 PRO HGy H 1 1.88 0.02 A 92 PRO C C 13 176.2 0.3 A 92 PRO CA C 13 63.4 0.3 A 92 PRO CB C 13 31.8 0.3 A 92 PRO CD C 13 50.7 0.3 A 92 PRO CG C 13 27.0 0.3 A 93 GLU H H 1 8.06 0.02 A 93 GLU HA H 1 4.24 0.02 A 93 GLU HB3 H 1 2.23 0.02 A 93 GLU HGx H 1 1.87 0.02 A 93 GLU HGy H 1 2.03 0.02 A 93 GLU C C 13 181.2 0.3 A 93 GLU CA C 13 58.1 0.3 A 93 GLU CB C 13 31.2 0.3 A 93 GLU CG C 13 36.7 0.3 A 93 GLU N N 15 126.3 0.3 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 43 SER H A 42 GLU HBx 1.0 . 5.50 2 2 A 43 SER H A 42 GLU HBy 1.0 . 5.50 3 3 A 42 GLU H A 42 GLU HGx 1.0 . 5.50 4 3 A 42 GLU H A 42 GLU HG3 1.0 . 5.50 5 4 A 35 THR H A 34 LEU HD2% 1.0 . 5.50 6 5 A 35 THR H A 35 THR HG2% 1.0 . 4.00 7 6 A 35 THR H A 38 GLN HB2 1.0 . 4.03 8 6 A 35 THR H A 38 GLN HBy 1.0 . 4.03 9 7 A 35 THR H A 38 GLN HGx 1.0 . 5.00 10 7 A 35 THR H A 38 GLN HG3 1.0 . 5.00 11 8 A 35 THR H A 34 LEU HD1% 1.0 . 5.50 12 9 A 24 LEU H A 24 LEU HD2% 1.0 . 5.50 13 10 A 24 LEU H A 21 TYR HA 1.0 . 4.72 14 11 A 24 LEU H A 23 GLN HBx 1.0 . 4.29 15 12 A 24 LEU H A 24 LEU HBx 1.0 . 3.73 16 13 A 24 LEU H A 61 TRP HZ2 1.0 . 5.50 17 14 A 24 LEU H A 24 LEU HD1% 1.0 . 5.50 18 15 A 24 LEU H A 24 LEU HBy 1.0 . 3.73 19 16 A 24 LEU H A 61 TRP HH2 1.0 . 5.48 20 17 A 24 LEU H A 23 GLN HBy 1.0 . 4.29 21 18 A 24 LEU H A 20 ASP HA 1.0 . 5.50 22 19 A 76 ALA H A 77 ALA H 1.0 . 4.00 23 20 A 76 ALA H A 75 TYR HB2 1.0 . 4.10 24 20 A 76 ALA H A 75 TYR HBy 1.0 . 4.10 25 21 A 76 ALA H A 73 GLU HA 1.0 . 4.32 26 22 A 76 ALA H A 75 TYR HD% 1.0 . 5.50 27 23 A 76 ALA H A 76 ALA HB% 1.0 . 3.30 28 24 A 65 ASN H A 64 LYS HGx 1.0 . 5.50 29 24 A 64 LYS HG3 A 65 ASN H 1.0 . 5.50 30 25 A 65 ASN H A 62 PHE HA 1.0 . 5.49 31 26 A 65 ASN H A 64 LYS H 1.0 . 4.08 32 27 A 37 GLN H A 36 PRO HDx 1.0 . 5.50 33 27 A 36 PRO HD3 A 37 GLN H 1.0 . 5.50 34 28 A 37 GLN H A 37 GLN HGy 1.0 . 5.50 35 29 A 37 GLN H A 37 GLN HGx 1.0 . 5.50 36 30 A 37 GLN H A 35 THR HB 1.0 . 4.43 37 31 A 71 LEU H A 59 LEU HD1% 1.0 . 4.85 38 32 A 71 LEU H A 70 THR HG2% 1.0 . 4.77 39 33 A 71 LEU H A 71 LEU HG 1.0 . 4.93 40 34 A 71 LEU H A 59 LEU HD2% 1.0 . 4.85 41 35 A 71 LEU H A 71 LEU HBx 1.0 . 3.73 42 36 A 71 LEU H A 70 THR HB 1.0 . 3.47 43 37 A 71 LEU H A 71 LEU HBy 1.0 . 3.73 44 38 A 71 LEU H A 70 THR HA 1.0 . 3.33 45 39 A 71 LEU H A 71 LEU HD2% 1.0 . 4.99 46 40 A 71 LEU H A 71 LEU HD1% 1.0 . 4.99 47 41 A 28 LEU H A 58 TRP HH2 1.0 . 5.50 48 42 A 28 LEU H A 27 ARG HB2 1.0 . 3.98 49 42 A 28 LEU H A 27 ARG HBy 1.0 . 3.98 50 43 A 28 LEU H A 28 LEU HBy 1.0 . 4.16 51 44 A 28 LEU H A 58 TRP HZ2 1.0 . 5.50 52 45 A 28 LEU H A 27 ARG H 1.0 . 3.40 53 46 A 28 LEU H A 29 ILE H 1.0 . 3.97 54 47 A 28 LEU H A 29 ILE HD1% 1.0 . 5.50 55 48 A 28 LEU H A 28 LEU HD2% 1.0 . 5.38 56 49 A 28 LEU H A 25 ARG HA 1.0 . 4.90 57 50 A 28 LEU H A 28 LEU HD1% 1.0 . 5.38 58 51 A 28 LEU H A 28 LEU HG 1.0 . 3.84 59 52 A 28 LEU H A 28 LEU HBx 1.0 . 4.16 60 53 A 79 THR HA A 81 ALA H 1.0 . 5.50 61 54 A 81 ALA H A 80 LEU H 1.0 . 4.31 62 55 A 81 ALA H A 80 LEU HBx 1.0 . 4.58 63 56 A 81 ALA H A 79 THR HB 1.0 . 4.02 64 57 A 81 ALA H A 82 ALA H 1.0 . 4.14 65 58 A 81 ALA H A 80 LEU HBy 1.0 . 4.58 66 59 A 81 ALA H A 81 ALA HB% 1.0 . 3.41 67 60 A 81 ALA H A 79 THR HG2% 1.0 . 5.50 68 61 A 71 LEU H A 73 GLU H 1.0 . 5.50 69 62 A 73 GLU H A 73 GLU HBx 1.0 . 3.91 70 62 A 73 GLU H A 73 GLU HB3 1.0 . 3.91 71 63 A 73 GLU H A 72 ARG HBx 1.0 . 4.29 72 64 A 73 GLU H A 73 GLU HGx 1.0 . 3.02 73 64 A 73 GLU H A 73 GLU HG3 1.0 . 3.02 74 65 A 73 GLU H A 72 ARG H 1.0 . 3.92 75 66 A 70 THR HB A 73 GLU H 1.0 . 5.21 76 67 A 73 GLU H A 72 ARG HBy 1.0 . 4.29 77 68 A 70 THR HA A 73 GLU H 1.0 . 5.16 78 69 A 73 GLU H A 70 THR H 1.0 . 5.01 79 70 A 74 LEU HA A 83 TRP HE1 1.0 . 3.63 80 71 A 83 TRP HE1 A 78 PRO HA 1.0 . 3.48 81 72 A 83 TRP HE1 A 74 LEU HBx 1.0 . 5.00 82 73 A 83 TRP HE1 A 83 TRP HA 1.0 . 5.50 83 74 A 83 TRP HE1 A 45 LEU HD1% 1.0 . 5.50 84 75 A 83 TRP HE1 A 82 ALA HB% 1.0 . 5.50 85 76 A 83 TRP HE1 A 74 LEU HBy 1.0 . 5.00 86 77 A 83 TRP HE1 A 45 LEU HD2% 1.0 . 5.50 87 78 A 83 TRP HE1 A 79 THR H 1.0 . 4.81 88 79 A 78 PRO HA A 79 THR H 1.0 . 3.50 89 80 A 79 THR H A 83 TRP HD1 1.0 . 5.01 90 81 A 79 THR H A 77 ALA HB% 1.0 . 5.19 91 82 A 82 ALA HB% A 79 THR H 1.0 . 3.79 92 83 A 79 THR H A 78 PRO HDx 1.0 . 5.50 93 83 A 79 THR H A 78 PRO HD3 1.0 . 5.50 94 84 A 79 THR HG2% A 79 THR H 1.0 . 4.13 95 85 A 47 GLN H A 47 GLN HGx 1.0 . 4.02 96 85 A 47 GLN H A 47 GLN HG3 1.0 . 4.02 97 86 A 47 GLN H A 45 LEU HA 1.0 . 5.50 98 87 A 47 GLN H A 48 ALA H 1.0 . 3.91 99 88 A 47 GLN H A 48 ALA HA 1.0 . 5.50 100 89 A 47 GLN H A 46 ILE HG2% 1.0 . 4.66 101 90 A 47 GLN H A 46 ILE HB 1.0 . 3.45 102 91 A 23 GLN H A 22 GLN HB2 1.0 . 3.90 103 91 A 22 GLN HBy A 23 GLN H 1.0 . 3.90 104 92 A 23 GLN H A 23 GLN HBx 1.0 . 3.82 105 93 A 23 GLN H A 23 GLN HGx 1.0 . 5.36 106 93 A 23 GLN H A 23 GLN HG3 1.0 . 5.36 107 94 A 23 GLN H A 19 ALA HA 1.0 . 5.50 108 95 A 23 GLN H A 23 GLN HBy 1.0 . 3.82 109 96 A 20 ASP HA A 23 GLN H 1.0 . 5.48 110 97 A 29 ILE HG2% A 30 GLN H 1.0 . 4.62 111 98 A 30 GLN H A 29 ILE HG12 1.0 . 5.38 112 98 A 30 GLN H A 29 ILE HG1y 1.0 . 5.38 113 99 A 30 GLN H A 27 ARG HA 1.0 . 4.60 114 100 A 30 GLN H A 29 ILE HB 1.0 . 4.00 115 101 A 29 ILE H A 30 GLN H 1.0 . 4.18 116 102 A 29 ILE HD1% A 30 GLN H 1.0 . 5.50 117 103 A 30 GLN H A 30 GLN HB2 1.0 . 3.40 118 103 A 30 GLN H A 30 GLN HBy 1.0 . 3.40 119 104 A 35 THR H A 38 GLN H 1.0 . 3.89 120 105 A 37 GLN H A 38 GLN H 1.0 . 3.89 121 106 A 35 THR HG2% A 38 GLN H 1.0 . 5.50 122 107 A 38 GLN H A 38 GLN HB2 1.0 . 3.49 123 107 A 38 GLN HBy A 38 GLN H 1.0 . 3.49 124 108 A 38 GLN H A 39 LEU H 1.0 . 3.77 125 109 A 38 GLN H A 38 GLN HGx 1.0 . 3.80 126 109 A 38 GLN HG3 A 38 GLN H 1.0 . 3.80 127 110 A 35 THR HB A 38 GLN H 1.0 . 5.50 128 111 A 21 TYR H A 20 ASP HBx 1.0 . 4.44 129 111 A 20 ASP HB3 A 21 TYR H 1.0 . 4.44 130 112 A 23 GLN H A 21 TYR H 1.0 . 5.50 131 113 A 21 TYR H A 87 MET HE% 1.0 . 5.22 132 114 A 21 TYR H A 20 ASP H 1.0 . 4.17 133 115 A 21 TYR H A 21 TYR HB2 1.0 . 3.40 134 115 A 21 TYR H A 21 TYR HBy 1.0 . 3.40 135 116 A 21 TYR H A 21 TYR HD% 1.0 . 5.50 136 117 A 21 TYR H A 19 ALA HB% 1.0 . 5.50 137 118 A 21 TYR H A 22 GLN H 1.0 . 4.26 138 119 A 21 TYR H A 18 ALA HA 1.0 . 5.49 139 120 A 16 ARG H A 16 ARG HGx 1.0 . 4.70 140 120 A 16 ARG H A 16 ARG HG3 1.0 . 4.70 141 121 A 16 ARG H A 15 ASN HBy 1.0 . 5.50 142 122 A 16 ARG H A 15 ASN HA 1.0 . 3.49 143 123 A 16 ARG H A 15 ASN HBx 1.0 . 5.50 144 124 A 16 ARG H A 16 ARG HB2 1.0 . 3.82 145 124 A 16 ARG H A 16 ARG HBy 1.0 . 3.82 146 125 A 48 ALA HB% A 49 GLY H 1.0 . 4.54 147 126 A 49 GLY H A 47 GLN HA 1.0 . 5.21 148 127 A 49 GLY H A 46 ILE HA 1.0 . 5.03 149 128 A 49 GLY H A 50 LEU H 1.0 . 3.55 150 129 A 44 ASN H A 44 ASN HBy 1.0 . 4.01 151 130 A 44 ASN H A 43 SER HA 1.0 . 3.39 152 131 A 44 ASN H A 44 ASN HBx 1.0 . 4.01 153 132 A 79 THR HG2% A 44 ASN H 1.0 . 5.50 154 133 A 40 HIS H A 40 HIS HD2 1.0 . 5.50 155 134 A 40 HIS H A 43 SER HBx 1.0 . 5.50 156 135 A 40 HIS H A 43 SER HBy 1.0 . 5.50 157 136 A 40 HIS H A 39 LEU HA 1.0 . 3.41 158 137 A 40 HIS H A 36 PRO HA 1.0 . 5.50 159 138 A 31 GLU H A 31 GLU HGx 1.0 . 4.13 160 138 A 31 GLU H A 31 GLU HG3 1.0 . 4.13 161 139 A 30 GLN H A 31 GLU H 1.0 . 4.00 162 140 A 27 ARG HA A 31 GLU H 1.0 . 4.64 163 141 A 31 GLU H A 31 GLU HBx 1.0 . 4.08 164 142 A 31 GLU H A 31 GLU HBy 1.0 . 4.08 165 143 A 31 GLU H A 30 GLN HB2 1.0 . 3.77 166 143 A 30 GLN HBy A 31 GLU H 1.0 . 3.77 167 144 A 17 HIS H A 16 ARG HGx 1.0 . 5.16 168 144 A 16 ARG HG3 A 17 HIS H 1.0 . 5.16 169 145 A 17 HIS H A 17 HIS HBy 1.0 . 4.19 170 146 A 17 HIS H A 17 HIS HBx 1.0 . 4.19 171 147 A 17 HIS H A 16 ARG HB2 1.0 . 4.46 172 147 A 16 ARG HBy A 17 HIS H 1.0 . 4.46 173 148 A 76 ALA H A 75 TYR H 1.0 . 3.87 174 149 A 75 TYR H A 72 ARG HA 1.0 . 4.15 175 150 A 71 LEU HG A 75 TYR H 1.0 . 5.50 176 151 A 75 TYR H A 74 LEU HG 1.0 . 5.48 177 152 A 75 TYR H A 74 LEU H 1.0 . 3.74 178 153 A 75 TYR H A 75 TYR HB2 1.0 . 3.30 179 153 A 75 TYR HBy A 75 TYR H 1.0 . 3.30 180 154 A 75 TYR HD% A 75 TYR H 1.0 . 5.23 181 155 A 75 TYR H A 46 ILE HD1% 1.0 . 5.50 182 156 A 76 ALA HB% A 75 TYR H 1.0 . 5.50 183 157 A 58 TRP HE1 A 31 GLU HBx 1.0 . 5.50 184 158 A 58 TRP HE1 A 31 GLU HBy 1.0 . 5.50 185 159 A 59 LEU H A 59 LEU HD1% 1.0 . 5.33 186 160 A 59 LEU H A 59 LEU HD2% 1.0 . 5.33 187 161 A 59 LEU H A 58 TRP HBx 1.0 . 4.96 188 162 A 59 LEU H A 58 TRP HD1 1.0 . 5.50 189 163 A 59 LEU H A 59 LEU HBx 1.0 . 3.71 190 164 A 59 LEU H A 58 TRP HBy 1.0 . 4.96 191 165 A 59 LEU H A 60 HIS H 1.0 . 4.33 192 166 A 59 LEU H A 59 LEU HBy 1.0 . 3.71 193 167 A 59 LEU H A 59 LEU HG 1.0 . 4.77 194 168 A 63 ARG H A 63 ARG HB2 1.0 . 3.24 195 168 A 63 ARG H A 63 ARG HBy 1.0 . 3.24 196 169 A 63 ARG H A 62 PHE HD% 1.0 . 5.50 197 170 A 63 ARG H A 60 HIS HA 1.0 . 5.01 198 171 A 63 ARG H A 62 PHE HBy 1.0 . 4.02 199 172 A 63 ARG H A 63 ARG HGx 1.0 . 4.30 200 172 A 63 ARG H A 63 ARG HG3 1.0 . 4.30 201 173 A 63 ARG H A 62 PHE HBx 1.0 . 4.02 202 174 A 48 ALA H A 48 ALA HB% 1.0 . 3.20 203 175 A 45 LEU HA A 48 ALA H 1.0 . 4.21 204 176 A 48 ALA H A 46 ILE HA 1.0 . 5.50 205 177 A 89 SER H A 88 LEU HBy 1.0 . 4.79 206 178 A 89 SER H A 86 LEU H 1.0 . 4.75 207 179 A 89 SER H A 88 LEU HD1% 1.0 . 5.50 208 180 A 89 SER H A 88 LEU HD2% 1.0 . 5.50 209 181 A 89 SER H A 88 LEU HBx 1.0 . 4.79 210 182 A 77 ALA H A 78 PRO HDx 1.0 . 4.72 211 182 A 77 ALA H A 78 PRO HD3 1.0 . 4.72 212 183 A 77 ALA H A 76 ALA HB% 1.0 . 4.12 213 184 A 29 ILE HG2% A 34 LEU H 1.0 . 4.78 214 185 A 34 LEU H A 34 LEU HBx 1.0 . 3.99 215 186 A 34 LEU H A 34 LEU HD2% 1.0 . 5.50 216 187 A 34 LEU H A 34 LEU HBy 1.0 . 3.99 217 188 A 34 LEU H A 34 LEU HG 1.0 . 3.77 218 189 A 34 LEU H A 29 ILE HA 1.0 . 5.21 219 190 A 34 LEU H A 34 LEU HD1% 1.0 . 5.50 220 191 A 30 GLN HA A 33 ASN H 1.0 . 5.37 221 192 A 31 GLU H A 33 ASN H 1.0 . 5.50 222 193 A 34 LEU H A 33 ASN H 1.0 . 3.79 223 194 A 33 ASN H A 32 LEU H 1.0 . 3.71 224 195 A 33 ASN H A 32 LEU HG 1.0 . 5.50 225 196 A 33 ASN H A 32 LEU HBy 1.0 . 5.50 226 197 A 33 ASN H A 31 GLU HA 1.0 . 5.50 227 198 A 33 ASN H A 32 LEU HBx 1.0 . 5.50 228 199 A 79 THR H A 45 LEU H 1.0 . 4.98 229 200 A 45 LEU H A 45 LEU HG 1.0 . 3.52 230 201 A 47 GLN H A 45 LEU H 1.0 . 5.50 231 202 A 45 LEU H A 45 LEU HB2 1.0 . 3.74 232 202 A 45 LEU H A 45 LEU HBy 1.0 . 3.74 233 203 A 45 LEU H A 45 LEU HD1% 1.0 . 5.07 234 204 A 79 THR HB A 45 LEU H 1.0 . 5.50 235 205 A 45 LEU H A 44 ASN HA 1.0 . 3.25 236 206 A 79 THR HG2% A 45 LEU H 1.0 . 4.65 237 207 A 45 LEU H A 45 LEU HD2% 1.0 . 5.07 238 208 A 20 ASP H A 20 ASP HBx 1.0 . 4.00 239 208 A 20 ASP HB3 A 20 ASP H 1.0 . 4.00 240 209 A 20 ASP H A 19 ALA H 1.0 . 4.24 241 210 A 20 ASP H A 67 TYR HE% 1.0 . 5.50 242 211 A 20 ASP H A 19 ALA HB% 1.0 . 4.00 243 212 A 65 ASN H A 66 GLY H 1.0 . 3.87 244 213 A 66 GLY H A 63 ARG HA 1.0 . 4.80 245 214 A 79 THR H A 83 TRP H 1.0 . 5.50 246 215 A 83 TRP HD1 A 83 TRP H 1.0 . 4.06 247 216 A 82 ALA H A 83 TRP H 1.0 . 3.82 248 217 A 82 ALA HB% A 83 TRP H 1.0 . 3.96 249 218 A 81 ALA HB% A 83 TRP H 1.0 . 5.50 250 219 A 83 TRP H A 84 ASN H 1.0 . 4.02 251 220 A 83 TRP H A 80 LEU HA 1.0 . 4.68 252 221 A 19 ALA HB% A 19 ALA H 1.0 . 3.45 253 222 A 19 ALA H A 18 ALA HB% 1.0 . 3.45 254 223 A 55 LEU H A 55 LEU HBy 1.0 . 3.76 255 224 A 55 LEU H A 54 ARG HDx 1.0 . 5.50 256 224 A 55 LEU H A 54 ARG HD3 1.0 . 5.50 257 225 A 55 LEU H A 54 ARG HBy 1.0 . 4.84 258 226 A 55 LEU H A 52 SER HBx 1.0 . 5.07 259 226 A 55 LEU H A 52 SER HB3 1.0 . 5.07 260 227 A 55 LEU H A 54 ARG HBx 1.0 . 4.84 261 228 A 55 LEU H A 55 LEU HBx 1.0 . 3.76 262 229 A 32 LEU H A 28 LEU HA 1.0 . 5.50 263 230 A 30 GLN H A 32 LEU H 1.0 . 5.50 264 231 A 31 GLU H A 32 LEU H 1.0 . 4.13 265 232 A 32 LEU H A 31 GLU HBx 1.0 . 4.48 266 233 A 32 LEU H A 32 LEU HG 1.0 . 3.55 267 234 A 32 LEU H A 32 LEU HD1% 1.0 . 4.24 268 235 A 32 LEU H A 31 GLU HBy 1.0 . 4.48 269 236 A 29 ILE HA A 32 LEU H 1.0 . 5.50 270 237 A 32 LEU H A 32 LEU HBy 1.0 . 4.19 271 238 A 32 LEU H A 32 LEU HD2% 1.0 . 4.24 272 239 A 32 LEU H A 32 LEU HBx 1.0 . 4.19 273 240 A 27 ARG H A 24 LEU HA 1.0 . 5.50 274 241 A 58 TRP HH2 A 27 ARG H 1.0 . 5.50 275 242 A 27 ARG H A 27 ARG HB2 1.0 . 3.24 276 242 A 27 ARG HBy A 27 ARG H 1.0 . 3.24 277 243 A 27 ARG H A 27 ARG HGy 1.0 . 4.77 278 244 A 27 ARG H A 26 GLU H 1.0 . 3.50 279 245 A 27 ARG H A 27 ARG HGx 1.0 . 4.77 280 246 A 27 ARG H A 25 ARG H 1.0 . 5.32 281 247 A 54 ARG H A 54 ARG HDx 1.0 . 5.49 282 247 A 54 ARG HD3 A 54 ARG H 1.0 . 5.49 283 248 A 55 LEU H A 54 ARG H 1.0 . 4.12 284 249 A 54 ARG H A 53 ILE HG2% 1.0 . 4.46 285 250 A 54 ARG H A 54 ARG HGx 1.0 . 4.28 286 250 A 54 ARG H A 54 ARG HG3 1.0 . 4.28 287 251 A 54 ARG H A 51 ASP H 1.0 . 5.49 288 252 A 54 ARG H A 53 ILE HB 1.0 . 3.27 289 253 A 54 ARG H A 50 LEU HA 1.0 . 5.50 290 254 A 54 ARG H A 53 ILE H 1.0 . 3.81 291 255 A 74 LEU HG A 74 LEU H 1.0 . 3.40 292 256 A 74 LEU H A 73 GLU HGx 1.0 . 3.97 293 256 A 73 GLU HG3 A 74 LEU H 1.0 . 3.97 294 257 A 88 LEU H A 89 SER HA 1.0 . 5.50 295 258 A 18 ALA HB% A 88 LEU H 1.0 . 3.77 296 259 A 88 LEU H A 88 LEU HD1% 1.0 . 5.24 297 260 A 88 LEU H A 88 LEU HD2% 1.0 . 5.24 298 261 A 55 LEU HA A 58 TRP H 1.0 . 4.63 299 262 A 58 TRP H A 57 ARG HBx 1.0 . 4.84 300 263 A 59 LEU H A 58 TRP H 1.0 . 4.08 301 264 A 55 LEU H A 58 TRP H 1.0 . 5.50 302 265 A 58 TRP HD1 A 58 TRP H 1.0 . 4.56 303 266 A 58 TRP H A 57 ARG H 1.0 . 4.02 304 267 A 58 TRP H A 57 ARG HDx 1.0 . 5.50 305 267 A 58 TRP H A 57 ARG HD3 1.0 . 5.50 306 268 A 58 TRP H A 57 ARG HBy 1.0 . 4.84 307 269 A 92 PRO HA A 93 GLU H 1.0 . 3.54 308 270 A 80 LEU H A 45 LEU HD1% 1.0 . 5.50 309 271 A 80 LEU H A 79 THR HB 1.0 . 4.26 310 272 A 80 LEU H A 79 THR HG2% 1.0 . 5.50 311 273 A 80 LEU H A 45 LEU HD2% 1.0 . 5.50 312 274 A 69 LEU H A 63 ARG HB2 1.0 . 5.50 313 274 A 63 ARG HBy A 69 LEU H 1.0 . 5.50 314 275 A 69 LEU H A 69 LEU HD1% 1.0 . 5.50 315 276 A 69 LEU H A 68 ARG H 1.0 . 5.34 316 277 A 69 LEU H A 63 ARG HGx 1.0 . 4.89 317 277 A 63 ARG HG3 A 69 LEU H 1.0 . 4.89 318 278 A 69 LEU H A 69 LEU HD2% 1.0 . 5.50 319 279 A 69 LEU H A 69 LEU HG 1.0 . 3.92 320 280 A 69 LEU H A 68 ARG HA 1.0 . 3.30 321 281 A 18 ALA HB% A 18 ALA H 1.0 . 3.44 322 282 A 26 GLU H A 26 GLU HBy 1.0 . 3.97 323 283 A 26 GLU H A 25 ARG HBy 1.0 . 4.33 324 284 A 26 GLU H A 25 ARG HGx 1.0 . 5.09 325 284 A 26 GLU H A 25 ARG HG3 1.0 . 5.09 326 285 A 26 GLU H A 25 ARG HDx 1.0 . 5.50 327 285 A 26 GLU H A 25 ARG HD3 1.0 . 5.50 328 286 A 26 GLU H A 26 GLU HBx 1.0 . 3.97 329 287 A 26 GLU H A 23 GLN HA 1.0 . 4.63 330 288 A 26 GLU H A 25 ARG H 1.0 . 3.83 331 289 A 26 GLU H A 26 GLU HGy 1.0 . 4.62 332 290 A 26 GLU H A 25 ARG HBx 1.0 . 4.33 333 291 A 26 GLU H A 26 GLU HGx 1.0 . 4.62 334 292 A 71 LEU H A 72 ARG H 1.0 . 4.09 335 293 A 72 ARG H A 72 ARG HBx 1.0 . 3.60 336 294 A 70 THR HG2% A 72 ARG H 1.0 . 5.50 337 295 A 72 ARG H A 72 ARG HDx 1.0 . 5.50 338 295 A 72 ARG H A 72 ARG HD3 1.0 . 5.50 339 296 A 72 ARG H A 73 GLU HGx 1.0 . 5.50 340 296 A 73 GLU HG3 A 72 ARG H 1.0 . 5.50 341 297 A 70 THR HB A 72 ARG H 1.0 . 3.95 342 298 A 72 ARG H A 72 ARG HBy 1.0 . 3.60 343 299 A 70 THR HA A 72 ARG H 1.0 . 5.36 344 300 A 72 ARG H A 71 LEU HD2% 1.0 . 4.85 345 301 A 72 ARG H A 71 LEU HD1% 1.0 . 4.85 346 302 A 29 ILE H A 29 ILE HG2% 1.0 . 3.85 347 303 A 29 ILE H A 29 ILE HG12 1.0 . 3.55 348 303 A 29 ILE H A 29 ILE HG1y 1.0 . 3.55 349 304 A 29 ILE H A 31 GLU H 1.0 . 5.50 350 305 A 27 ARG H A 29 ILE H 1.0 . 5.50 351 306 A 29 ILE H A 29 ILE HB 1.0 . 3.41 352 307 A 29 ILE H A 26 GLU HA 1.0 . 5.31 353 308 A 29 ILE H A 29 ILE HD1% 1.0 . 4.83 354 309 A 86 LEU H A 86 LEU HD2% 1.0 . 4.68 355 310 A 86 LEU H A 83 TRP H 1.0 . 5.50 356 311 A 86 LEU H A 85 GLN HGx 1.0 . 5.50 357 311 A 86 LEU H A 85 GLN HG3 1.0 . 5.50 358 312 A 86 LEU H A 86 LEU HD1% 1.0 . 4.68 359 313 A 83 TRP HA A 86 LEU H 1.0 . 4.50 360 314 A 86 LEU H A 85 GLN HB2 1.0 . 3.74 361 314 A 86 LEU H A 85 GLN HBy 1.0 . 3.74 362 315 A 86 LEU H A 86 LEU HG 1.0 . 3.68 363 316 A 86 LEU H A 85 GLN H 1.0 . 3.90 364 317 A 23 GLN H A 22 GLN H 1.0 . 3.93 365 318 A 22 GLN H A 22 GLN HB2 1.0 . 3.37 366 318 A 22 GLN HBy A 22 GLN H 1.0 . 3.37 367 319 A 22 GLN H A 21 TYR HB2 1.0 . 3.94 368 319 A 21 TYR HBy A 22 GLN H 1.0 . 3.94 369 320 A 21 TYR HD% A 22 GLN H 1.0 . 5.50 370 321 A 19 ALA HB% A 22 GLN H 1.0 . 5.50 371 322 A 19 ALA HA A 22 GLN H 1.0 . 5.50 372 323 A 22 GLN H A 18 ALA HA 1.0 . 5.50 373 324 A 22 GLN H A 22 GLN HGx 1.0 . 4.35 374 324 A 22 GLN H A 22 GLN HG3 1.0 . 4.35 375 325 A 51 ASP H A 54 ARG HDx 1.0 . 4.16 376 325 A 54 ARG HD3 A 51 ASP H 1.0 . 4.16 377 326 A 55 LEU H A 51 ASP H 1.0 . 5.50 378 327 A 51 ASP H A 50 LEU HG 1.0 . 5.50 379 328 A 51 ASP H A 54 ARG HBy 1.0 . 4.63 380 329 A 51 ASP H A 52 SER H 1.0 . 5.50 381 330 A 51 ASP H A 54 ARG HBx 1.0 . 4.63 382 331 A 51 ASP H A 50 LEU HD2% 1.0 . 5.38 383 332 A 51 ASP H A 50 LEU HA 1.0 . 3.31 384 333 A 51 ASP H A 50 LEU HB2 1.0 . 4.89 385 333 A 51 ASP H A 50 LEU HBy 1.0 . 4.89 386 334 A 51 ASP H A 50 LEU HD1% 1.0 . 5.38 387 335 A 82 ALA H A 79 THR H 1.0 . 5.50 388 336 A 82 ALA H A 83 TRP HD1 1.0 . 5.50 389 337 A 79 THR HA A 82 ALA H 1.0 . 5.50 390 338 A 82 ALA H A 83 TRP HA 1.0 . 5.50 391 339 A 79 THR HB A 82 ALA H 1.0 . 4.76 392 340 A 82 ALA H A 82 ALA HB% 1.0 . 3.38 393 341 A 82 ALA H A 81 ALA HB% 1.0 . 3.78 394 342 A 82 ALA H A 79 THR HG2% 1.0 . 5.50 395 343 A 25 ARG H A 26 GLU HBy 1.0 . 5.50 396 344 A 25 ARG H A 24 LEU HD2% 1.0 . 5.50 397 345 A 25 ARG H A 25 ARG HBy 1.0 . 3.78 398 346 A 21 TYR HA A 25 ARG H 1.0 . 5.50 399 347 A 25 ARG H A 25 ARG HGx 1.0 . 4.14 400 347 A 25 ARG H A 25 ARG HG3 1.0 . 4.14 401 348 A 25 ARG H A 25 ARG HDx 1.0 . 5.50 402 348 A 25 ARG H A 25 ARG HD3 1.0 . 5.50 403 349 A 25 ARG H A 26 GLU HBx 1.0 . 5.50 404 350 A 25 ARG H A 23 GLN HA 1.0 . 5.50 405 351 A 25 ARG H A 24 LEU HD1% 1.0 . 5.50 406 352 A 25 ARG H A 22 GLN HA 1.0 . 4.94 407 353 A 25 ARG H A 25 ARG HBx 1.0 . 3.78 408 354 A 39 LEU H A 39 LEU HD2% 1.0 . 5.50 409 355 A 39 LEU H A 39 LEU HD1% 1.0 . 5.50 410 356 A 39 LEU H A 38 GLN HB2 1.0 . 5.50 411 356 A 38 GLN HBy A 39 LEU H 1.0 . 5.50 412 357 A 39 LEU H A 36 PRO HA 1.0 . 5.50 413 358 A 43 SER H A 42 GLU H 1.0 . 4.18 414 359 A 43 SER H A 40 HIS HBy 1.0 . 5.50 415 360 A 43 SER H A 44 ASN H 1.0 . 4.81 416 361 A 43 SER H A 40 HIS H 1.0 . 5.50 417 362 A 43 SER H A 40 HIS HBx 1.0 . 5.50 418 363 A 43 SER H A 79 THR HG2% 1.0 . 5.50 419 364 A 88 LEU HA A 91 SER H 1.0 . 3.68 420 365 A 91 SER H A 90 ARG HBx 1.0 . 5.50 421 366 A 91 SER H A 90 ARG HDx 1.0 . 5.50 422 366 A 91 SER H A 90 ARG HD3 1.0 . 5.50 423 367 A 91 SER H A 90 ARG HA 1.0 . 3.40 424 368 A 91 SER H A 90 ARG HBy 1.0 . 5.50 425 369 A 61 TRP HE1 A 27 ARG HDx 1.0 . 5.50 426 370 A 61 TRP HE1 A 27 ARG HDy 1.0 . 5.50 427 371 A 58 TRP HA A 61 TRP H 1.0 . 5.02 428 372 A 61 TRP H A 61 TRP HE3 1.0 . 5.50 429 373 A 62 PHE HA A 61 TRP H 1.0 . 5.50 430 374 A 61 TRP H A 61 TRP HBx 1.0 . 3.90 431 375 A 60 HIS H A 61 TRP H 1.0 . 4.15 432 376 A 61 TRP H A 60 HIS HB2 1.0 . 4.11 433 376 A 61 TRP H A 60 HIS HBy 1.0 . 4.11 434 377 A 61 TRP H A 59 LEU HA 1.0 . 5.50 435 378 A 61 TRP H A 61 TRP HBy 1.0 . 3.90 436 379 A 68 ARG H A 67 TYR HA 1.0 . 3.32 437 380 A 68 ARG H A 69 LEU HA 1.0 . 5.50 438 381 A 68 ARG H A 67 TYR HD% 1.0 . 5.50 439 382 A 87 MET HE% A 68 ARG H 1.0 . 4.40 440 383 A 68 ARG H A 68 ARG HDx 1.0 . 5.50 441 383 A 68 ARG H A 68 ARG HD3 1.0 . 5.50 442 384 A 68 ARG H A 68 ARG HBx 1.0 . 4.10 443 385 A 68 ARG H A 68 ARG HBy 1.0 . 4.10 444 386 A 60 HIS H A 59 LEU HD1% 1.0 . 5.50 445 387 A 60 HIS H A 60 HIS HD2 1.0 . 5.50 446 388 A 60 HIS H A 59 LEU HD2% 1.0 . 5.50 447 389 A 60 HIS H A 57 ARG HA 1.0 . 4.96 448 390 A 60 HIS H A 59 LEU HBx 1.0 . 4.67 449 391 A 60 HIS H A 60 HIS HB2 1.0 . 3.56 450 391 A 60 HIS H A 60 HIS HBy 1.0 . 3.56 451 392 A 60 HIS H A 59 LEU HBy 1.0 . 4.67 452 393 A 60 HIS H A 59 LEU HG 1.0 . 5.50 453 394 A 53 ILE H A 53 ILE HG1x 1.0 . 4.37 454 395 A 53 ILE H A 51 ASP HA 1.0 . 5.20 455 396 A 55 LEU H A 53 ILE H 1.0 . 5.50 456 397 A 53 ILE H A 52 SER H 1.0 . 5.05 457 398 A 53 ILE HG2% A 53 ILE H 1.0 . 4.43 458 399 A 53 ILE H A 52 SER HBx 1.0 . 5.09 459 399 A 52 SER HB3 A 53 ILE H 1.0 . 5.09 460 400 A 53 ILE HB A 53 ILE H 1.0 . 3.50 461 401 A 53 ILE H A 53 ILE HG1y 1.0 . 4.37 462 402 A 57 ARG H A 57 ARG HBx 1.0 . 3.75 463 403 A 59 LEU H A 57 ARG H 1.0 . 5.50 464 404 A 57 ARG H A 56 MET HBx 1.0 . 4.85 465 405 A 58 TRP HD1 A 57 ARG H 1.0 . 5.50 466 406 A 57 ARG H A 53 ILE HA 1.0 . 5.50 467 407 A 57 ARG H A 56 MET HBy 1.0 . 4.85 468 408 A 57 ARG H A 57 ARG HDx 1.0 . 5.50 469 408 A 57 ARG H A 57 ARG HD3 1.0 . 5.50 470 409 A 57 ARG H A 57 ARG HBy 1.0 . 3.75 471 410 A 55 LEU H A 56 MET H 1.0 . 4.19 472 411 A 56 MET H A 56 MET HBx 1.0 . 3.76 473 412 A 56 MET H A 52 SER HBx 1.0 . 5.48 474 412 A 52 SER HB3 A 56 MET H 1.0 . 5.48 475 413 A 53 ILE HA A 56 MET H 1.0 . 5.10 476 414 A 56 MET H A 56 MET HBy 1.0 . 3.76 477 415 A 57 ARG H A 56 MET H 1.0 . 3.94 478 416 A 56 MET H A 53 ILE HD1% 1.0 . 5.13 479 417 A 56 MET H A 56 MET HGx 1.0 . 4.20 480 417 A 56 MET H A 56 MET HG3 1.0 . 4.20 481 418 A 48 ALA H A 50 LEU H 1.0 . 4.15 482 419 A 50 LEU H A 50 LEU HG 1.0 . 4.30 483 420 A 50 LEU H A 51 ASP H 1.0 . 4.58 484 421 A 50 LEU H A 50 LEU HD2% 1.0 . 5.31 485 422 A 46 ILE HA A 50 LEU H 1.0 . 3.81 486 423 A 50 LEU H A 50 LEU HB2 1.0 . 3.37 487 423 A 50 LEU H A 50 LEU HBy 1.0 . 3.37 488 424 A 50 LEU H A 50 LEU HD1% 1.0 . 5.31 489 425 A 84 ASN H A 81 ALA HA 1.0 . 5.18 490 426 A 84 ASN H A 21 TYR HE% 1.0 . 5.50 491 427 A 86 LEU H A 84 ASN H 1.0 . 5.50 492 428 A 84 ASN H A 84 ASN HBy 1.0 . 3.70 493 429 A 81 ALA HB% A 84 ASN H 1.0 . 5.50 494 430 A 84 ASN H A 85 GLN H 1.0 . 4.25 495 431 A 84 ASN H A 80 LEU HA 1.0 . 5.50 496 432 A 84 ASN H A 84 ASN HBx 1.0 . 3.70 497 433 A 70 THR H A 73 GLU HBx 1.0 . 4.77 498 433 A 73 GLU HB3 A 70 THR H 1.0 . 4.77 499 434 A 70 THR HG2% A 70 THR H 1.0 . 3.89 500 435 A 70 THR H A 69 LEU HD1% 1.0 . 5.50 501 436 A 70 THR H A 69 LEU H 1.0 . 5.13 502 437 A 70 THR H A 73 GLU HGx 1.0 . 3.80 503 437 A 73 GLU HG3 A 70 THR H 1.0 . 3.80 504 438 A 70 THR H A 69 LEU HBy 1.0 . 4.00 505 439 A 70 THR H A 69 LEU HBx 1.0 . 4.00 506 440 A 70 THR H A 69 LEU HD2% 1.0 . 5.50 507 441 A 90 ARG H A 90 ARG HDx 1.0 . 5.40 508 441 A 90 ARG HD3 A 90 ARG H 1.0 . 5.40 509 442 A 90 ARG H A 87 MET HA 1.0 . 5.50 510 443 A 90 ARG H A 90 ARG HGy 1.0 . 4.45 511 444 A 91 SER H A 90 ARG H 1.0 . 3.94 512 445 A 90 ARG H A 90 ARG HGx 1.0 . 4.45 513 446 A 65 ASN H A 67 TYR H 1.0 . 5.27 514 447 A 67 TYR HD% A 67 TYR H 1.0 . 3.79 515 448 A 66 GLY H A 67 TYR H 1.0 . 3.89 516 449 A 67 TYR HE% A 67 TYR H 1.0 . 5.50 517 450 A 63 ARG HA A 67 TYR H 1.0 . 4.24 518 451 A 47 GLN H A 46 ILE H 1.0 . 3.59 519 452 A 46 ILE H A 46 ILE HG1y 1.0 . 4.11 520 453 A 48 ALA H A 46 ILE H 1.0 . 5.50 521 454 A 45 LEU H A 46 ILE H 1.0 . 4.22 522 455 A 46 ILE HG2% A 46 ILE H 1.0 . 4.20 523 456 A 46 ILE H A 45 LEU HB2 1.0 . 5.05 524 456 A 45 LEU HBy A 46 ILE H 1.0 . 5.05 525 457 A 46 ILE H A 46 ILE HG1x 1.0 . 4.11 526 458 A 46 ILE H A 45 LEU HD1% 1.0 . 5.50 527 459 A 44 ASN HA A 46 ILE H 1.0 . 5.50 528 460 A 46 ILE HB A 46 ILE H 1.0 . 3.50 529 461 A 46 ILE HD1% A 46 ILE H 1.0 . 4.68 530 462 A 46 ILE H A 45 LEU HD2% 1.0 . 5.50 531 463 A 85 GLN H A 85 GLN HGx 1.0 . 4.06 532 463 A 85 GLN HG3 A 85 GLN H 1.0 . 4.06 533 464 A 85 GLN H A 82 ALA HA 1.0 . 4.54 534 465 A 85 GLN H A 85 GLN HB2 1.0 . 3.38 535 465 A 85 GLN HBy A 85 GLN H 1.0 . 3.38 536 466 A 64 LYS H A 64 LYS HBx 1.0 . 3.87 537 467 A 64 LYS H A 63 ARG HB2 1.0 . 3.87 538 467 A 64 LYS H A 63 ARG HBy 1.0 . 3.87 539 468 A 64 LYS H A 64 LYS HGx 1.0 . 4.92 540 468 A 64 LYS HG3 A 64 LYS H 1.0 . 4.92 541 469 A 64 LYS H A 63 ARG H 1.0 . 3.85 542 470 A 64 LYS H A 66 GLY H 1.0 . 5.50 543 471 A 64 LYS H A 60 HIS HA 1.0 . 5.50 544 472 A 64 LYS H A 64 LYS HBy 1.0 . 3.87 545 473 A 58 TRP HA A 62 PHE H 1.0 . 5.50 546 474 A 63 ARG H A 62 PHE H 1.0 . 4.43 547 475 A 61 TRP HE3 A 62 PHE H 1.0 . 4.57 548 476 A 62 PHE HD% A 62 PHE H 1.0 . 4.33 549 477 A 63 ARG HA A 62 PHE H 1.0 . 5.50 550 478 A 61 TRP H A 62 PHE H 1.0 . 4.34 551 479 A 62 PHE H A 61 TRP HBx 1.0 . 4.92 552 480 A 62 PHE H A 61 TRP HBy 1.0 . 4.92 553 481 A 87 MET H A 86 LEU HBx 1.0 . 4.69 554 482 A 87 MET HE% A 87 MET H 1.0 . 5.50 555 483 A 88 LEU H A 87 MET H 1.0 . 3.73 556 484 A 86 LEU HG A 87 MET H 1.0 . 5.50 557 485 A 87 MET H A 84 ASN HA 1.0 . 4.79 558 486 A 87 MET H A 86 LEU HBy 1.0 . 4.69 559 487 A 87 MET H A 87 MET HGx 1.0 . 3.82 560 487 A 87 MET H A 87 MET HG3 1.0 . 3.82 561 488 A 45 LEU HB2 A 45 LEU HD1% 1.0 . 3.58 562 488 A 45 LEU HBy A 45 LEU HD1% 1.0 . 3.58 563 489 A 50 LEU HD2% A 45 LEU HD1% 1.0 . 5.27 564 490 A 80 LEU HD2% A 45 LEU HD1% 1.0 . 5.15 565 491 A 45 LEU HA A 45 LEU HD1% 1.0 . 4.45 566 492 A 53 ILE HG2% A 53 ILE HG1y 1.0 . 3.81 567 493 A 56 MET HE% A 71 LEU HD1% 1.0 . 4.48 568 494 A 56 MET HE% A 71 LEU HD2% 1.0 . 4.48 569 495 A 25 ARG HD3 A 25 ARG HBx 1.0 . 3.69 570 495 A 25 ARG HBx A 25 ARG HDx 1.0 . 3.69 571 496 A 25 ARG HG3 A 25 ARG HBx 1.0 . 2.72 572 496 A 25 ARG HBx A 25 ARG HGx 1.0 . 2.72 573 497 A 75 TYR HD% A 46 ILE HD1% 1.0 . 3.67 574 498 A 75 TYR HD% A 71 LEU HG 1.0 . 4.59 575 499 A 75 TYR HD% A 55 LEU HD1% 1.0 . 5.20 576 500 A 75 TYR HD% A 55 LEU HD2% 1.0 . 5.20 577 501 A 75 TYR HD% A 75 TYR HA 1.0 . 3.76 578 502 A 21 TYR HD% A 22 GLN HA 1.0 . 5.45 579 503 A 22 GLN HA A 22 GLN HB2 1.0 . 2.91 580 503 A 22 GLN HBy A 22 GLN HA 1.0 . 2.91 581 504 A 22 GLN HA A 21 TYR HB2 1.0 . 5.50 582 504 A 21 TYR HBy A 22 GLN HA 1.0 . 5.50 583 505 A 22 GLN HA A 21 TYR HE% 1.0 . 5.30 584 506 A 88 LEU HBy A 88 LEU HD1% 1.0 . 3.48 585 507 A 88 LEU HA A 88 LEU HD1% 1.0 . 3.61 586 508 A 88 LEU HBx A 88 LEU HD1% 1.0 . 3.48 587 509 A 29 ILE HG2% A 29 ILE HG12 1.0 . 2.43 588 509 A 29 ILE HG2% A 29 ILE HG1y 1.0 . 2.43 589 510 A 32 LEU HBx A 32 LEU HD1% 1.0 . 3.42 590 511 A 32 LEU HBy A 32 LEU HD1% 1.0 . 3.42 591 512 A 21 TYR HD% A 84 ASN HBy 1.0 . 4.89 592 513 A 88 LEU HG A 16 ARG HDx 1.0 . 3.26 593 513 A 16 ARG HD3 A 88 LEU HG 1.0 . 3.26 594 514 A 16 ARG HA A 16 ARG HDx 1.0 . 3.55 595 514 A 16 ARG HD3 A 16 ARG HA 1.0 . 3.55 596 515 A 16 ARG HBy A 16 ARG HDx 1.0 . 3.01 597 515 A 16 ARG HB2 A 16 ARG HDx 1.0 . 3.01 598 515 A 16 ARG HD3 A 16 ARG HB2 1.0 . 3.01 599 515 A 16 ARG HBy A 16 ARG HD3 1.0 . 3.01 600 516 A 88 LEU HD2% A 88 LEU HBy 1.0 . 3.48 601 517 A 88 LEU HA A 88 LEU HD2% 1.0 . 3.61 602 518 A 88 LEU HD2% A 88 LEU HBx 1.0 . 3.48 603 519 A 40 HIS HE1 A 42 GLU HBy 1.0 . 5.50 604 520 A 40 HIS HE1 A 42 GLU HBx 1.0 . 5.50 605 521 A 82 ALA HA A 85 GLN HB2 1.0 . 3.36 606 521 A 85 GLN HBy A 82 ALA HA 1.0 . 3.36 607 522 A 63 ARG HA A 63 ARG HGx 1.0 . 3.20 608 522 A 63 ARG HG3 A 63 ARG HA 1.0 . 3.20 609 523 A 63 ARG HA A 63 ARG HDx 1.0 . 4.16 610 523 A 63 ARG HA A 63 ARG HD3 1.0 . 4.16 611 524 A 63 ARG HA A 63 ARG HB2 1.0 . 2.99 612 524 A 63 ARG HBy A 63 ARG HA 1.0 . 2.99 613 525 A 16 ARG HA A 16 ARG HGx 1.0 . 3.24 614 525 A 16 ARG HG3 A 16 ARG HA 1.0 . 3.24 615 526 A 16 ARG HBy A 16 ARG HGx 1.0 . 2.40 616 526 A 16 ARG HG3 A 16 ARG HB2 1.0 . 2.40 617 526 A 16 ARG HG3 A 16 ARG HBy 1.0 . 2.40 618 526 A 16 ARG HB2 A 16 ARG HGx 1.0 . 2.40 619 527 A 46 ILE HA A 50 LEU HB2 1.0 . 3.49 620 527 A 46 ILE HA A 50 LEU HBy 1.0 . 3.49 621 528 A 48 ALA HB% A 46 ILE HA 1.0 . 5.19 622 529 A 29 ILE HA A 29 ILE HG12 1.0 . 4.15 623 529 A 29 ILE HG1y A 29 ILE HA 1.0 . 4.15 624 530 A 29 ILE HD1% A 29 ILE HA 1.0 . 3.96 625 531 A 29 ILE HG2% A 29 ILE HA 1.0 . 3.52 626 532 A 82 ALA HB% A 85 GLN HB2 1.0 . 5.50 627 532 A 82 ALA HB% A 85 GLN HBy 1.0 . 5.50 628 533 A 82 ALA HB% A 83 TRP HD1 1.0 . 4.30 629 534 A 83 TRP HA A 82 ALA HB% 1.0 . 4.98 630 535 A 71 LEU HBx A 71 LEU HD1% 1.0 . 2.82 631 536 A 71 LEU HD2% A 71 LEU HBx 1.0 . 2.82 632 537 A 52 SER HB3 A 55 LEU HBx 1.0 . 3.87 633 537 A 55 LEU HBx A 52 SER HBx 1.0 . 3.87 634 538 A 55 LEU HBx A 55 LEU HD1% 1.0 . 3.49 635 539 A 25 ARG HA A 80 LEU HD2% 1.0 . 4.68 636 540 A 25 ARG HA A 80 LEU HD1% 1.0 . 4.68 637 541 A 25 ARG HA A 25 ARG HGx 1.0 . 3.90 638 541 A 25 ARG HA A 25 ARG HG3 1.0 . 3.90 639 542 A 67 TYR HA A 67 TYR HD% 1.0 . 4.85 640 543 A 67 TYR HD% A 87 MET HA 1.0 . 4.83 641 544 A 46 ILE HA A 46 ILE HD1% 1.0 . 4.08 642 545 A 46 ILE HB A 46 ILE HD1% 1.0 . 3.21 643 546 A 46 ILE HG2% A 46 ILE HD1% 1.0 . 2.40 644 547 A 73 GLU HB3 A 86 LEU HD2% 1.0 . 3.89 645 547 A 86 LEU HD2% A 73 GLU HBx 1.0 . 3.89 646 548 A 86 LEU HBy A 86 LEU HD2% 1.0 . 3.87 647 549 A 86 LEU HD2% A 86 LEU HBx 1.0 . 3.87 648 550 A 73 GLU HG3 A 86 LEU HD2% 1.0 . 4.40 649 550 A 86 LEU HD2% A 73 GLU HGx 1.0 . 4.40 650 551 A 19 ALA HA A 22 GLN HB2 1.0 . 4.76 651 551 A 22 GLN HBy A 19 ALA HA 1.0 . 4.76 652 552 A 39 LEU HD2% A 39 LEU HBy 1.0 . 3.16 653 553 A 34 LEU HG A 38 GLN HB2 1.0 . 5.23 654 553 A 38 GLN HBy A 34 LEU HG 1.0 . 5.23 655 554 A 38 GLN HB2 A 38 GLN HGx 1.0 . 2.40 656 554 A 38 GLN HBy A 38 GLN HGx 1.0 . 2.40 657 554 A 38 GLN HG3 A 38 GLN HB2 1.0 . 2.40 658 554 A 38 GLN HBy A 38 GLN HG3 1.0 . 2.40 659 555 A 53 ILE HA A 53 ILE HG1y 1.0 . 3.80 660 556 A 53 ILE HA A 53 ILE HD1% 1.0 . 4.77 661 557 A 53 ILE HA A 56 MET HGx 1.0 . 5.26 662 557 A 53 ILE HA A 56 MET HG3 1.0 . 5.26 663 558 A 53 ILE HG2% A 53 ILE HA 1.0 . 3.39 664 559 A 86 LEU HG A 86 LEU HA 1.0 . 3.94 665 560 A 73 GLU HA A 76 ALA HB% 1.0 . 4.00 666 561 A 73 GLU HA A 73 GLU HBx 1.0 . 2.73 667 561 A 73 GLU HA A 73 GLU HB3 1.0 . 2.73 668 562 A 73 GLU HA A 73 GLU HGx 1.0 . 2.60 669 562 A 73 GLU HA A 73 GLU HG3 1.0 . 2.60 670 563 A 50 LEU HA A 50 LEU HG 1.0 . 3.90 671 564 A 50 LEU HA A 50 LEU HD2% 1.0 . 3.58 672 565 A 50 LEU HD2% A 50 LEU HB2 1.0 . 2.90 673 565 A 50 LEU HBy A 50 LEU HD2% 1.0 . 2.90 674 566 A 45 LEU HD2% A 50 LEU HD2% 1.0 . 5.27 675 567 A 83 TRP HH2 A 50 LEU HD2% 1.0 . 4.48 676 568 A 63 ARG HD3 A 59 LEU HD2% 1.0 . 4.24 677 568 A 59 LEU HD2% A 63 ARG HDx 1.0 . 4.24 678 569 A 83 TRP HZ3 A 28 LEU HD1% 1.0 . 5.50 679 570 A 58 TRP HZ2 A 28 LEU HD1% 1.0 . 5.50 680 571 A 21 TYR HD% A 25 ARG HDx 1.0 . 3.57 681 571 A 21 TYR HD% A 25 ARG HD3 1.0 . 3.57 682 572 A 58 TRP HZ2 A 28 LEU HA 1.0 . 4.14 683 573 A 83 TRP HA A 83 TRP HD1 1.0 . 3.96 684 574 A 79 THR HB A 81 ALA HB% 1.0 . 5.50 685 575 A 57 ARG HA A 57 ARG HDx 1.0 . 4.61 686 575 A 57 ARG HD3 A 57 ARG HA 1.0 . 4.61 687 576 A 34 LEU HG A 38 GLN HGx 1.0 . 5.20 688 576 A 38 GLN HG3 A 34 LEU HG 1.0 . 5.20 689 577 A 39 LEU HG A 38 GLN HGx 1.0 . 5.50 690 577 A 38 GLN HG3 A 39 LEU HG 1.0 . 5.50 691 578 A 25 ARG HD3 A 25 ARG HBy 1.0 . 3.69 692 578 A 25 ARG HBy A 25 ARG HDx 1.0 . 3.69 693 579 A 39 LEU HD2% A 39 LEU HBx 1.0 . 3.16 694 580 A 38 GLN HA A 38 GLN HGx 1.0 . 3.54 695 580 A 38 GLN HG3 A 38 GLN HA 1.0 . 3.54 696 581 A 79 THR HG2% A 82 ALA HB% 1.0 . 4.93 697 582 A 79 THR HG2% A 42 GLU HA 1.0 . 3.12 698 583 A 79 THR HG2% A 78 PRO HGx 1.0 . 5.10 699 583 A 79 THR HG2% A 78 PRO HG3 1.0 . 5.10 700 584 A 79 THR HG2% A 44 ASN HA 1.0 . 3.60 701 585 A 79 THR HA A 79 THR HG2% 1.0 . 2.90 702 586 A 79 THR HG2% A 77 ALA HB% 1.0 . 4.11 703 587 A 83 TRP HZ2 A 55 LEU HD1% 1.0 . 4.38 704 588 A 50 LEU HBy A 55 LEU HD1% 1.0 . 3.58 705 588 A 50 LEU HB2 A 55 LEU HD1% 1.0 . 3.58 706 589 A 75 TYR HA A 55 LEU HD1% 1.0 . 4.89 707 590 A 74 LEU HBy A 55 LEU HD1% 1.0 . 5.40 708 591 A 83 TRP HH2 A 55 LEU HD1% 1.0 . 5.35 709 592 A 38 GLN HBy A 34 LEU HD1% 1.0 . 5.50 710 592 A 34 LEU HD1% A 38 GLN HB2 1.0 . 5.50 711 593 A 34 LEU HBy A 34 LEU HD1% 1.0 . 4.05 712 594 A 34 LEU HBx A 34 LEU HD1% 1.0 . 4.05 713 595 A 21 TYR HD% A 22 GLN HGx 1.0 . 5.50 714 595 A 21 TYR HD% A 22 GLN HG3 1.0 . 5.50 715 596 A 22 GLN HB2 A 22 GLN HGx 1.0 . 2.73 716 596 A 22 GLN HBy A 22 GLN HGx 1.0 . 2.73 717 596 A 22 GLN HG3 A 22 GLN HB2 1.0 . 2.73 718 596 A 22 GLN HBy A 22 GLN HG3 1.0 . 2.73 719 597 A 62 PHE HD% A 67 TYR HD% 1.0 . 3.40 720 598 A 62 PHE HD% A 59 LEU HA 1.0 . 4.20 721 599 A 21 TYR HD% A 80 LEU HD2% 1.0 . 5.50 722 600 A 25 ARG HD3 A 80 LEU HD2% 1.0 . 4.93 723 600 A 80 LEU HD2% A 25 ARG HDx 1.0 . 4.93 724 601 A 80 LEU HD2% A 80 LEU HBx 1.0 . 3.38 725 602 A 80 LEU HBy A 80 LEU HD2% 1.0 . 3.38 726 603 A 80 LEU HD2% A 25 ARG HGx 1.0 . 3.14 727 603 A 25 ARG HG3 A 80 LEU HD2% 1.0 . 3.14 728 604 A 21 TYR HE% A 80 LEU HD2% 1.0 . 4.42 729 605 A 39 LEU HBy A 39 LEU HD1% 1.0 . 3.16 730 606 A 39 LEU HBx A 39 LEU HD1% 1.0 . 3.16 731 607 A 62 PHE HD% A 74 LEU HD1% 1.0 . 5.50 732 608 A 74 LEU HA A 74 LEU HD1% 1.0 . 4.47 733 609 A 62 PHE HE% A 74 LEU HD1% 1.0 . 4.79 734 610 A 52 SER HA A 52 SER HBx 1.0 . 2.58 735 610 A 52 SER HB3 A 52 SER HA 1.0 . 2.58 736 611 A 32 LEU HD2% A 32 LEU HBx 1.0 . 3.42 737 612 A 32 LEU HD2% A 32 LEU HBy 1.0 . 3.42 738 613 A 21 TYR HD% A 84 ASN HBx 1.0 . 4.89 739 614 A 86 LEU HA A 86 LEU HD2% 1.0 . 3.65 740 615 A 64 LYS HA A 64 LYS HGx 1.0 . 3.90 741 615 A 64 LYS HG3 A 64 LYS HA 1.0 . 3.90 742 616 A 45 LEU HB2 A 50 LEU HB2 1.0 . 3.55 743 616 A 45 LEU HBy A 50 LEU HB2 1.0 . 3.55 744 616 A 50 LEU HBy A 45 LEU HB2 1.0 . 3.55 745 616 A 45 LEU HBy A 50 LEU HBy 1.0 . 3.55 746 617 A 50 LEU HG A 50 LEU HB2 1.0 . 2.91 747 617 A 50 LEU HG A 50 LEU HBy 1.0 . 2.91 748 618 A 88 LEU HG A 88 LEU HBy 1.0 . 2.71 749 619 A 88 LEU HG A 88 LEU HBx 1.0 . 2.71 750 620 A 55 LEU HD2% A 55 LEU HBx 1.0 . 3.49 751 621 A 83 TRP HZ2 A 55 LEU HD2% 1.0 . 4.38 752 622 A 55 LEU HD2% A 50 LEU HB2 1.0 . 3.58 753 622 A 50 LEU HBy A 55 LEU HD2% 1.0 . 3.58 754 623 A 55 LEU HA A 55 LEU HD2% 1.0 . 4.19 755 624 A 75 TYR HA A 55 LEU HD2% 1.0 . 4.89 756 625 A 55 LEU HD2% A 74 LEU HBy 1.0 . 5.40 757 626 A 53 ILE HD1% A 56 MET HE% 1.0 . 4.40 758 627 A 53 ILE HG2% A 53 ILE HD1% 1.0 . 2.40 759 628 A 80 LEU HA A 83 TRP HBx 1.0 . 5.50 760 629 A 71 LEU HA A 71 LEU HD1% 1.0 . 4.23 761 630 A 52 SER HB3 A 55 LEU HBy 1.0 . 3.87 762 630 A 52 SER HBx A 55 LEU HBy 1.0 . 3.87 763 631 A 55 LEU HBy A 55 LEU HD1% 1.0 . 3.49 764 632 A 55 LEU HD2% A 55 LEU HBy 1.0 . 3.49 765 633 A 80 LEU HA A 80 LEU HD2% 1.0 . 3.63 766 634 A 86 LEU HA A 86 LEU HD1% 1.0 . 3.65 767 635 A 73 GLU HB3 A 86 LEU HD1% 1.0 . 3.89 768 635 A 73 GLU HBx A 86 LEU HD1% 1.0 . 3.89 769 636 A 86 LEU HBy A 86 LEU HD1% 1.0 . 3.87 770 637 A 86 LEU HBx A 86 LEU HD1% 1.0 . 3.87 771 638 A 73 GLU HG3 A 86 LEU HD1% 1.0 . 4.40 772 638 A 73 GLU HGx A 86 LEU HD1% 1.0 . 4.40 773 639 A 62 PHE HZ A 83 TRP HE3 1.0 . 4.49 774 640 A 45 LEU HD2% A 45 LEU HB2 1.0 . 3.58 775 640 A 45 LEU HBy A 45 LEU HD2% 1.0 . 3.58 776 641 A 80 LEU HD2% A 45 LEU HD2% 1.0 . 5.15 777 642 A 45 LEU HD2% A 50 LEU HD1% 1.0 . 5.27 778 643 A 45 LEU HD2% A 80 LEU HD1% 1.0 . 5.15 779 644 A 45 LEU HA A 45 LEU HD2% 1.0 . 4.45 780 645 A 76 ALA HB% A 77 ALA HB% 1.0 . 3.76 781 646 A 68 ARG HD3 A 68 ARG HBy 1.0 . 3.12 782 646 A 68 ARG HBy A 68 ARG HDx 1.0 . 3.12 783 647 A 68 ARG HD3 A 68 ARG HBx 1.0 . 3.12 784 647 A 68 ARG HBx A 68 ARG HDx 1.0 . 3.12 785 648 A 54 ARG HA A 54 ARG HGx 1.0 . 3.86 786 648 A 54 ARG HG3 A 54 ARG HA 1.0 . 3.86 787 649 A 34 LEU HD2% A 34 LEU HBy 1.0 . 4.05 788 650 A 21 TYR HA A 21 TYR HD% 1.0 . 3.91 789 651 A 29 ILE HD1% A 25 ARG HGx 1.0 . 3.59 790 651 A 29 ILE HD1% A 25 ARG HG3 1.0 . 3.59 791 652 A 29 ILE HD1% A 29 ILE HB 1.0 . 3.11 792 653 A 29 ILE HD1% A 26 GLU HA 1.0 . 4.50 793 654 A 61 TRP HH2 A 20 ASP HBx 1.0 . 4.13 794 654 A 61 TRP HH2 A 20 ASP HB3 1.0 . 4.13 795 655 A 21 TYR HD% A 24 LEU HD2% 1.0 . 4.32 796 656 A 61 TRP HZ3 A 24 LEU HD2% 1.0 . 5.01 797 657 A 62 PHE HZ A 24 LEU HD2% 1.0 . 4.23 798 658 A 87 MET HE% A 24 LEU HD2% 1.0 . 5.29 799 659 A 83 TRP HE3 A 24 LEU HD2% 1.0 . 4.05 800 660 A 62 PHE HE% A 24 LEU HD2% 1.0 . 4.21 801 661 A 88 LEU HA A 88 LEU HG 1.0 . 3.94 802 662 A 74 LEU HA A 83 TRP HD1 1.0 . 5.32 803 663 A 74 LEU HA A 74 LEU HG 1.0 . 3.86 804 664 A 67 TYR HE% A 65 ASN HBy 1.0 . 4.63 805 665 A 45 LEU HD1% A 50 LEU HD1% 1.0 . 5.27 806 666 A 50 LEU HA A 50 LEU HD1% 1.0 . 3.58 807 667 A 50 LEU HBy A 50 LEU HD1% 1.0 . 2.90 808 667 A 50 LEU HB2 A 50 LEU HD1% 1.0 . 2.90 809 668 A 83 TRP HH2 A 50 LEU HD1% 1.0 . 4.48 810 669 A 64 LYS HA A 64 LYS HEx 1.0 . 5.50 811 669 A 64 LYS HA A 64 LYS HE3 1.0 . 5.50 812 670 A 85 GLN HA A 85 GLN HGx 1.0 . 3.50 813 670 A 85 GLN HG3 A 85 GLN HA 1.0 . 3.50 814 671 A 75 TYR HD% A 72 ARG HA 1.0 . 5.50 815 672 A 72 ARG HA A 75 TYR HB2 1.0 . 4.22 816 672 A 75 TYR HBy A 72 ARG HA 1.0 . 4.22 817 673 A 61 TRP HA A 61 TRP HD1 1.0 . 4.60 818 674 A 45 LEU HA A 48 ALA HB% 1.0 . 2.87 819 675 A 58 TRP HD1 A 50 LEU HD2% 1.0 . 3.78 820 676 A 58 TRP HD1 A 50 LEU HD1% 1.0 . 3.78 821 677 A 73 GLU HBx A 73 GLU HGx 1.0 . 2.44 822 677 A 73 GLU HB3 A 73 GLU HGx 1.0 . 2.44 823 677 A 73 GLU HG3 A 73 GLU HBx 1.0 . 2.44 824 677 A 73 GLU HB3 A 73 GLU HG3 1.0 . 2.44 825 678 A 61 TRP HH2 A 87 MET HE% 1.0 . 5.50 826 679 A 87 MET HE% A 84 ASN HA 1.0 . 4.50 827 680 A 87 MET HE% A 21 TYR HD% 1.0 . 4.09 828 681 A 87 MET HE% A 61 TRP HZ3 1.0 . 4.20 829 682 A 87 MET HE% A 62 PHE HD% 1.0 . 5.50 830 683 A 21 TYR HA A 87 MET HE% 1.0 . 3.47 831 684 A 87 MET HE% A 20 ASP HBx 1.0 . 3.19 832 684 A 20 ASP HB3 A 87 MET HE% 1.0 . 3.19 833 685 A 87 MET HE% A 67 TYR HE% 1.0 . 3.39 834 686 A 87 MET HE% A 24 LEU HD1% 1.0 . 5.29 835 687 A 87 MET HE% A 21 TYR HB2 1.0 . 3.55 836 687 A 87 MET HE% A 21 TYR HBy 1.0 . 3.55 837 688 A 87 MET HE% A 62 PHE HE% 1.0 . 3.39 838 689 A 46 ILE HD1% A 75 TYR HE% 1.0 . 3.73 839 690 A 71 LEU HG A 75 TYR HE% 1.0 . 5.50 840 691 A 46 ILE HG2% A 75 TYR HE% 1.0 . 5.48 841 692 A 58 TRP HH2 A 24 LEU HA 1.0 . 3.67 842 693 A 24 LEU HA A 27 ARG HB2 1.0 . 4.49 843 693 A 27 ARG HBy A 24 LEU HA 1.0 . 4.49 844 694 A 55 LEU HA A 55 LEU HD1% 1.0 . 4.19 845 695 A 58 TRP HD1 A 55 LEU HA 1.0 . 3.96 846 696 A 38 GLN HBy A 34 LEU HD2% 1.0 . 5.50 847 696 A 34 LEU HD2% A 38 GLN HB2 1.0 . 5.50 848 697 A 34 LEU HBx A 34 LEU HD2% 1.0 . 4.05 849 698 A 45 LEU HD1% A 80 LEU HD1% 1.0 . 5.15 850 699 A 21 TYR HD% A 80 LEU HD1% 1.0 . 5.50 851 700 A 25 ARG HD3 A 80 LEU HD1% 1.0 . 4.93 852 700 A 25 ARG HDx A 80 LEU HD1% 1.0 . 4.93 853 701 A 80 LEU HA A 80 LEU HD1% 1.0 . 3.63 854 702 A 80 LEU HBx A 80 LEU HD1% 1.0 . 3.38 855 703 A 80 LEU HBy A 80 LEU HD1% 1.0 . 3.38 856 704 A 25 ARG HG3 A 80 LEU HD1% 1.0 . 3.14 857 704 A 25 ARG HGx A 80 LEU HD1% 1.0 . 3.14 858 705 A 21 TYR HE% A 80 LEU HD1% 1.0 . 4.42 859 706 A 45 LEU HG A 45 LEU HB2 1.0 . 2.98 860 706 A 45 LEU HG A 45 LEU HBy 1.0 . 2.98 861 707 A 45 LEU HG A 80 LEU HA 1.0 . 3.98 862 708 A 79 THR HA A 45 LEU HG 1.0 . 4.14 863 709 A 46 ILE HD1% A 75 TYR HA 1.0 . 3.79 864 710 A 64 LYS HD3 A 64 LYS HGx 1.0 . 2.50 865 710 A 64 LYS HG3 A 64 LYS HD3 1.0 . 2.50 866 711 A 64 LYS HDx A 64 LYS HGx 1.0 . 2.50 867 711 A 64 LYS HG3 A 64 LYS HDx 1.0 . 2.50 868 712 A 30 GLN HA A 30 GLN HGy 1.0 . 3.55 869 713 A 63 ARG HBy A 63 ARG HGx 1.0 . 2.47 870 713 A 63 ARG HB2 A 63 ARG HGx 1.0 . 2.47 871 713 A 63 ARG HG3 A 63 ARG HB2 1.0 . 2.47 872 713 A 63 ARG HBy A 63 ARG HG3 1.0 . 2.47 873 714 A 53 ILE HA A 53 ILE HG1x 1.0 . 3.80 874 715 A 53 ILE HG2% A 53 ILE HG1x 1.0 . 3.81 875 716 A 80 LEU HA A 83 TRP HBy 1.0 . 5.50 876 717 A 63 ARG HD3 A 59 LEU HD1% 1.0 . 4.24 877 717 A 59 LEU HD1% A 63 ARG HDx 1.0 . 4.24 878 718 A 47 GLN HG3 A 47 GLN HB2 1.0 . 2.72 879 718 A 47 GLN HB2 A 47 GLN HGx 1.0 . 2.72 880 719 A 47 GLN HG3 A 47 GLN HBy 1.0 . 2.72 881 719 A 47 GLN HBy A 47 GLN HGx 1.0 . 2.72 882 720 A 47 GLN HA A 47 GLN HGx 1.0 . 3.83 883 720 A 47 GLN HG3 A 47 GLN HA 1.0 . 3.83 884 721 A 27 ARG HA A 27 ARG HDy 1.0 . 5.50 885 722 A 67 TYR HE% A 65 ASN HBx 1.0 . 4.63 886 723 A 29 ILE HD1% A 36 PRO HA 1.0 . 3.58 887 724 A 29 ILE HG2% A 36 PRO HA 1.0 . 3.88 888 725 A 46 ILE HG2% A 46 ILE HG1x 1.0 . 4.20 889 726 A 21 TYR HD% A 24 LEU HD1% 1.0 . 4.32 890 727 A 61 TRP HZ3 A 24 LEU HD1% 1.0 . 5.01 891 728 A 62 PHE HZ A 24 LEU HD1% 1.0 . 4.23 892 729 A 83 TRP HE3 A 24 LEU HD1% 1.0 . 4.05 893 730 A 62 PHE HE% A 24 LEU HD1% 1.0 . 4.21 894 731 A 27 ARG HDy A 27 ARG HB2 1.0 . 3.92 895 731 A 27 ARG HBy A 27 ARG HDy 1.0 . 3.92 896 732 A 27 ARG HBy A 27 ARG HGx 1.0 . 2.54 897 732 A 27 ARG HB2 A 27 ARG HGx 1.0 . 2.54 898 733 A 58 TRP HH2 A 27 ARG HB2 1.0 . 3.09 899 733 A 58 TRP HH2 A 27 ARG HBy 1.0 . 3.09 900 734 A 27 ARG HBy A 27 ARG HDx 1.0 . 3.92 901 734 A 27 ARG HB2 A 27 ARG HDx 1.0 . 3.92 902 735 A 58 TRP HZ2 A 27 ARG HB2 1.0 . 3.41 903 735 A 27 ARG HBy A 58 TRP HZ2 1.0 . 3.41 904 736 A 82 ALA HB% A 77 ALA HB% 1.0 . 3.48 905 737 A 77 ALA HB% A 78 PRO HDx 1.0 . 4.23 906 737 A 77 ALA HB% A 78 PRO HD3 1.0 . 4.23 907 738 A 54 ARG HA A 54 ARG HDx 1.0 . 4.47 908 738 A 54 ARG HD3 A 54 ARG HA 1.0 . 4.47 909 739 A 83 TRP HH2 A 55 LEU HD2% 1.0 . 5.35 910 740 A 71 LEU HA A 71 LEU HD2% 1.0 . 4.23 911 741 A 29 ILE HG2% A 30 GLN HA 1.0 . 4.63 912 742 A 25 ARG HG3 A 25 ARG HBy 1.0 . 2.72 913 742 A 25 ARG HBy A 25 ARG HGx 1.0 . 2.72 914 743 A 69 LEU HD2% A 69 LEU HBy 1.0 . 3.89 915 744 A 69 LEU HD2% A 69 LEU HBx 1.0 . 3.89 916 745 A 69 LEU HD2% A 86 LEU HBy 1.0 . 5.30 917 746 A 85 GLN HB2 A 85 GLN HGx 1.0 . 2.40 918 746 A 85 GLN HBy A 85 GLN HGx 1.0 . 2.40 919 746 A 85 GLN HG3 A 85 GLN HB2 1.0 . 2.40 920 746 A 85 GLN HG3 A 85 GLN HBy 1.0 . 2.40 921 747 A 82 ALA HA A 85 GLN HGx 1.0 . 3.88 922 747 A 85 GLN HG3 A 82 ALA HA 1.0 . 3.88 923 748 A 72 ARG HD3 A 72 ARG HBx 1.0 . 3.08 924 748 A 72 ARG HBx A 72 ARG HDx 1.0 . 3.08 925 749 A 72 ARG HD3 A 72 ARG HBy 1.0 . 3.08 926 749 A 72 ARG HBy A 72 ARG HDx 1.0 . 3.08 927 750 A 62 PHE HA A 67 TYR HD% 1.0 . 3.95 928 751 A 62 PHE HA A 62 PHE HD% 1.0 . 3.99 929 752 A 62 PHE HA A 61 TRP HE3 1.0 . 4.12 930 753 A 62 PHE HA A 62 PHE HE% 1.0 . 5.38 931 754 A 46 ILE HG2% A 46 ILE HA 1.0 . 3.67 932 755 A 46 ILE HG2% A 46 ILE HG1y 1.0 . 4.20 933 756 A 46 ILE HG2% A 47 GLN HGx 1.0 . 5.50 934 756 A 47 GLN HG3 A 46 ILE HG2% 1.0 . 5.50 935 757 A 21 TYR HE% A 84 ASN HBy 1.0 . 4.93 936 758 A 21 TYR HE% A 25 ARG HDx 1.0 . 4.06 937 758 A 25 ARG HD3 A 21 TYR HE% 1.0 . 4.06 938 759 A 21 TYR HE% A 84 ASN HBx 1.0 . 4.93 939 760 A 83 TRP HZ3 A 28 LEU HD2% 1.0 . 5.50 940 761 A 58 TRP HZ2 A 28 LEU HD2% 1.0 . 5.50 941 762 A 63 ARG HBy A 63 ARG HDx 1.0 . 3.45 942 762 A 63 ARG HB2 A 63 ARG HDx 1.0 . 3.45 943 762 A 63 ARG HD3 A 63 ARG HB2 1.0 . 3.45 944 762 A 63 ARG HBy A 63 ARG HD3 1.0 . 3.45 945 763 A 71 LEU HBy A 71 LEU HD1% 1.0 . 2.82 946 764 A 71 LEU HD2% A 71 LEU HBy 1.0 . 2.82 947 765 A 29 ILE HG2% A 26 GLU HA 1.0 . 4.94 948 766 A 35 THR HB A 36 PRO HDx 1.0 . 5.11 949 766 A 36 PRO HD3 A 35 THR HB 1.0 . 5.11 950 767 A 69 LEU HBy A 69 LEU HD1% 1.0 . 3.89 951 768 A 69 LEU HBx A 69 LEU HD1% 1.0 . 3.89 952 769 A 86 LEU HBy A 69 LEU HD1% 1.0 . 5.30 953 770 A 69 LEU HD1% A 86 LEU HBx 1.0 . 5.30 954 771 A 23 GLN HA A 23 GLN HGx 1.0 . 4.02 955 771 A 23 GLN HG3 A 23 GLN HA 1.0 . 4.02 956 772 A 19 ALA HB% A 16 ARG HA 1.0 . 4.51 957 773 A 90 ARG HA A 90 ARG HDx 1.0 . 3.86 958 773 A 90 ARG HD3 A 90 ARG HA 1.0 . 3.86 959 774 A 90 ARG HD3 A 90 ARG HBx 1.0 . 3.65 960 774 A 90 ARG HBx A 90 ARG HDx 1.0 . 3.65 961 775 A 90 ARG HD3 A 90 ARG HBy 1.0 . 3.65 962 775 A 90 ARG HBy A 90 ARG HDx 1.0 . 3.65 963 776 A 46 ILE HD1% A 75 TYR HB2 1.0 . 4.69 964 776 A 75 TYR HBy A 46 ILE HD1% 1.0 . 4.69 965 777 A 75 TYR HBy A 55 LEU HD1% 1.0 . 5.50 966 777 A 55 LEU HD1% A 75 TYR HB2 1.0 . 5.50 967 778 A 75 TYR HBy A 55 LEU HD2% 1.0 . 5.50 968 778 A 55 LEU HD2% A 75 TYR HB2 1.0 . 5.50 969 779 A 53 ILE HG2% A 57 ARG HA 1.0 . 4.07 970 780 A 87 MET HE% A 18 ALA HB% 1.0 . 4.26 971 781 A 67 TYR HE% A 18 ALA HB% 1.0 . 5.50 972 782 A 62 PHE HD% A 74 LEU HD2% 1.0 . 5.50 973 783 A 74 LEU HA A 74 LEU HD2% 1.0 . 4.47 974 784 A 62 PHE HE% A 74 LEU HD2% 1.0 . 4.79 975 785 A 27 ARG HA A 27 ARG HDx 1.0 . 5.50 976 786 A 67 TYR HE% A 87 MET HA 1.0 . 5.50 977 787 A 27 ARG HGy A 27 ARG HB2 1.0 . 2.54 978 787 A 27 ARG HBy A 27 ARG HGy 1.0 . 2.54 979 788 A 30 GLN HA A 30 GLN HGx 1.0 . 3.55 980 789 A 60 HIS HA A 63 ARG HB2 1.0 . 3.73 981 789 A 63 ARG HBy A 60 HIS HA 1.0 . 3.73 982 790 A 46 ILE HG2% A 47 GLN HA 1.0 . 5.50 983 791 A 18 ALA HB% A 15 ASN HBx 1.0 . 4.15 984 791 A 18 ALA HB% A 15 ASN HBy 1.0 . 4.15 985 792 A 18 ALA H A 17 HIS HBy 1.0 . 4.43 986 792 A 18 ALA H A 17 HIS HBx 1.0 . 4.43 987 793 A 18 ALA HA A 88 LEU HD1% 1.0 . 3.99 988 793 A 18 ALA HA A 88 LEU HD2% 1.0 . 3.99 989 794 A 18 ALA HB% A 88 LEU HD1% 1.0 . 3.50 990 794 A 18 ALA HB% A 88 LEU HD2% 1.0 . 3.50 991 795 A 21 TYR HA A 24 LEU HBy 1.0 . 3.44 992 795 A 21 TYR HA A 24 LEU HBx 1.0 . 3.44 993 796 A 21 TYR HA A 24 LEU HD1% 1.0 . 4.33 994 796 A 21 TYR HA A 24 LEU HD2% 1.0 . 4.33 995 797 A 21 TYR HD% A 24 LEU HD1% 1.0 . 3.62 996 797 A 21 TYR HD% A 24 LEU HD2% 1.0 . 3.62 997 798 A 21 TYR HE% A 24 LEU HBy 1.0 . 3.75 998 798 A 21 TYR HE% A 24 LEU HBx 1.0 . 3.75 999 799 A 21 TYR HE% A 24 LEU HD1% 1.0 . 4.39 1000 799 A 21 TYR HE% A 24 LEU HD2% 1.0 . 4.39 1001 800 A 21 TYR HE% A 80 LEU HBx 1.0 . 4.62 1002 800 A 21 TYR HE% A 80 LEU HBy 1.0 . 4.62 1003 801 A 21 TYR HE% A 80 LEU HD1% 1.0 . 3.85 1004 801 A 21 TYR HE% A 80 LEU HD2% 1.0 . 3.85 1005 802 A 21 TYR HE% A 84 ASN HBx 1.0 . 4.29 1006 802 A 21 TYR HE% A 84 ASN HBy 1.0 . 4.29 1007 803 A 23 GLN H A 23 GLN HBy 1.0 . 3.24 1008 803 A 23 GLN H A 23 GLN HBx 1.0 . 3.24 1009 804 A 23 GLN HA A 23 GLN HBy 1.0 . 2.60 1010 804 A 23 GLN HA A 23 GLN HBx 1.0 . 2.60 1011 805 A 23 GLN HA A 26 GLU HBx 1.0 . 2.84 1012 805 A 23 GLN HA A 26 GLU HBy 1.0 . 2.84 1013 806 A 61 TRP HZ2 A 23 GLN HBy 1.0 . 3.94 1014 806 A 61 TRP HZ2 A 23 GLN HBx 1.0 . 3.94 1015 807 A 24 LEU H A 24 LEU HBy 1.0 . 3.24 1016 807 A 24 LEU H A 24 LEU HBx 1.0 . 3.24 1017 808 A 24 LEU H A 24 LEU HD1% 1.0 . 4.48 1018 808 A 24 LEU H A 24 LEU HD2% 1.0 . 4.48 1019 809 A 24 LEU HA A 24 LEU HD1% 1.0 . 3.59 1020 809 A 24 LEU HA A 24 LEU HD2% 1.0 . 3.59 1021 810 A 24 LEU HBy A 24 LEU HD1% 1.0 . 2.54 1022 810 A 24 LEU HD2% A 24 LEU HBy 1.0 . 2.54 1023 810 A 24 LEU HBx A 24 LEU HD2% 1.0 . 2.54 1024 810 A 24 LEU HBx A 24 LEU HD1% 1.0 . 2.54 1025 811 A 25 ARG H A 24 LEU HBy 1.0 . 3.65 1026 811 A 25 ARG H A 24 LEU HBx 1.0 . 3.65 1027 812 A 24 LEU HBx A 28 LEU HD1% 1.0 . 5.28 1028 812 A 24 LEU HBy A 28 LEU HD1% 1.0 . 5.28 1029 812 A 28 LEU HD2% A 24 LEU HBy 1.0 . 5.28 1030 812 A 24 LEU HBx A 28 LEU HD2% 1.0 . 5.28 1031 813 A 58 TRP HZ2 A 24 LEU HBy 1.0 . 5.34 1032 813 A 58 TRP HZ2 A 24 LEU HBx 1.0 . 5.34 1033 814 A 61 TRP HD1 A 24 LEU HBy 1.0 . 5.34 1034 814 A 61 TRP HD1 A 24 LEU HBx 1.0 . 5.34 1035 815 A 87 MET HE% A 24 LEU HBy 1.0 . 3.54 1036 815 A 87 MET HE% A 24 LEU HBx 1.0 . 3.54 1037 816 A 25 ARG H A 24 LEU HD1% 1.0 . 4.22 1038 816 A 25 ARG H A 24 LEU HD2% 1.0 . 4.22 1039 817 A 25 ARG HA A 24 LEU HD1% 1.0 . 3.97 1040 817 A 25 ARG HA A 24 LEU HD2% 1.0 . 3.97 1041 818 A 28 LEU HA A 24 LEU HD1% 1.0 . 4.73 1042 818 A 28 LEU HA A 24 LEU HD2% 1.0 . 4.73 1043 819 A 24 LEU HD2% A 28 LEU HD1% 1.0 . 3.60 1044 819 A 24 LEU HD1% A 28 LEU HD1% 1.0 . 3.60 1045 819 A 28 LEU HD2% A 24 LEU HD1% 1.0 . 3.60 1046 819 A 24 LEU HD2% A 28 LEU HD2% 1.0 . 3.60 1047 820 A 58 TRP HH2 A 24 LEU HD1% 1.0 . 5.30 1048 820 A 58 TRP HH2 A 24 LEU HD2% 1.0 . 5.30 1049 821 A 61 TRP HZ3 A 24 LEU HD1% 1.0 . 4.28 1050 821 A 61 TRP HZ3 A 24 LEU HD2% 1.0 . 4.28 1051 822 A 61 TRP HH2 A 24 LEU HD1% 1.0 . 4.84 1052 822 A 61 TRP HH2 A 24 LEU HD2% 1.0 . 4.84 1053 823 A 62 PHE HZ A 24 LEU HD1% 1.0 . 3.20 1054 823 A 62 PHE HZ A 24 LEU HD2% 1.0 . 3.20 1055 824 A 80 LEU HA A 24 LEU HD1% 1.0 . 5.38 1056 824 A 80 LEU HA A 24 LEU HD2% 1.0 . 5.38 1057 825 A 24 LEU HD2% A 80 LEU HD1% 1.0 . 3.10 1058 825 A 24 LEU HD1% A 80 LEU HD1% 1.0 . 3.10 1059 825 A 80 LEU HD2% A 24 LEU HD1% 1.0 . 3.10 1060 825 A 24 LEU HD2% A 80 LEU HD2% 1.0 . 3.10 1061 826 A 24 LEU HD1% A 83 TRP HBx 1.0 . 4.68 1062 826 A 24 LEU HD2% A 83 TRP HBx 1.0 . 4.68 1063 826 A 83 TRP HBy A 24 LEU HD1% 1.0 . 4.68 1064 826 A 24 LEU HD2% A 83 TRP HBy 1.0 . 4.68 1065 827 A 83 TRP HE3 A 24 LEU HD1% 1.0 . 3.43 1066 827 A 83 TRP HE3 A 24 LEU HD2% 1.0 . 3.43 1067 828 A 83 TRP HZ3 A 24 LEU HD1% 1.0 . 4.36 1068 828 A 83 TRP HZ3 A 24 LEU HD2% 1.0 . 4.36 1069 829 A 87 MET HE% A 24 LEU HD1% 1.0 . 4.09 1070 829 A 87 MET HE% A 24 LEU HD2% 1.0 . 4.09 1071 830 A 25 ARG H A 25 ARG HBy 1.0 . 3.29 1072 830 A 25 ARG H A 25 ARG HBx 1.0 . 3.29 1073 831 A 25 ARG HA A 28 LEU HBx 1.0 . 3.83 1074 831 A 25 ARG HA A 28 LEU HBy 1.0 . 3.83 1075 832 A 25 ARG HA A 28 LEU HD1% 1.0 . 4.46 1076 832 A 25 ARG HA A 28 LEU HD2% 1.0 . 4.46 1077 833 A 25 ARG HBy A 25 ARG HGx 1.0 . 2.37 1078 833 A 25 ARG HBx A 25 ARG HGx 1.0 . 2.37 1079 833 A 25 ARG HG3 A 25 ARG HBy 1.0 . 2.37 1080 833 A 25 ARG HG3 A 25 ARG HBx 1.0 . 2.37 1081 834 A 25 ARG HBy A 25 ARG HDx 1.0 . 3.23 1082 834 A 25 ARG HBx A 25 ARG HDx 1.0 . 3.23 1083 834 A 25 ARG HD3 A 25 ARG HBy 1.0 . 3.23 1084 834 A 25 ARG HD3 A 25 ARG HBx 1.0 . 3.23 1085 835 A 26 GLU H A 25 ARG HBy 1.0 . 3.74 1086 835 A 26 GLU H A 25 ARG HBx 1.0 . 3.74 1087 836 A 25 ARG HBy A 80 LEU HD1% 1.0 . 3.77 1088 836 A 25 ARG HBx A 80 LEU HD1% 1.0 . 3.77 1089 836 A 80 LEU HD2% A 25 ARG HBy 1.0 . 3.77 1090 836 A 80 LEU HD2% A 25 ARG HBx 1.0 . 3.77 1091 837 A 25 ARG HG3 A 80 LEU HD1% 1.0 . 2.75 1092 837 A 25 ARG HGx A 80 LEU HD1% 1.0 . 2.75 1093 837 A 80 LEU HD2% A 25 ARG HGx 1.0 . 2.75 1094 837 A 25 ARG HG3 A 80 LEU HD2% 1.0 . 2.75 1095 838 A 25 ARG HD3 A 28 LEU HBx 1.0 . 3.93 1096 838 A 25 ARG HDx A 28 LEU HBx 1.0 . 3.93 1097 838 A 28 LEU HBy A 25 ARG HDx 1.0 . 3.93 1098 838 A 25 ARG HD3 A 28 LEU HBy 1.0 . 3.93 1099 839 A 26 GLU H A 26 GLU HBx 1.0 . 3.36 1100 839 A 26 GLU H A 26 GLU HBy 1.0 . 3.36 1101 840 A 26 GLU H A 26 GLU HGx 1.0 . 3.82 1102 840 A 26 GLU H A 26 GLU HGy 1.0 . 3.82 1103 841 A 26 GLU HA A 26 GLU HGx 1.0 . 3.70 1104 841 A 26 GLU HA A 26 GLU HGy 1.0 . 3.70 1105 842 A 26 GLU HBy A 26 GLU HGx 1.0 . 2.27 1106 842 A 26 GLU HBx A 26 GLU HGx 1.0 . 2.27 1107 842 A 26 GLU HGy A 26 GLU HBx 1.0 . 2.27 1108 842 A 26 GLU HBy A 26 GLU HGy 1.0 . 2.27 1109 843 A 27 ARG H A 26 GLU HBx 1.0 . 4.24 1110 843 A 27 ARG H A 26 GLU HBy 1.0 . 4.24 1111 844 A 27 ARG H A 27 ARG HGx 1.0 . 3.93 1112 844 A 27 ARG H A 27 ARG HGy 1.0 . 3.93 1113 845 A 27 ARG HBy A 27 ARG HGx 1.0 . 2.19 1114 845 A 27 ARG HB2 A 27 ARG HGx 1.0 . 2.19 1115 845 A 27 ARG HGy A 27 ARG HB2 1.0 . 2.19 1116 845 A 27 ARG HBy A 27 ARG HGy 1.0 . 2.19 1117 846 A 58 TRP HH2 A 27 ARG HDx 1.0 . 5.34 1118 846 A 58 TRP HH2 A 27 ARG HDy 1.0 . 5.34 1119 847 A 28 LEU H A 28 LEU HBx 1.0 . 3.34 1120 847 A 28 LEU H A 28 LEU HBy 1.0 . 3.34 1121 848 A 28 LEU H A 28 LEU HD1% 1.0 . 4.60 1122 848 A 28 LEU H A 28 LEU HD2% 1.0 . 4.60 1123 849 A 28 LEU HA A 28 LEU HD1% 1.0 . 3.89 1124 849 A 28 LEU HA A 28 LEU HD2% 1.0 . 3.89 1125 850 A 28 LEU HA A 32 LEU HD1% 1.0 . 5.32 1126 850 A 28 LEU HA A 32 LEU HD2% 1.0 . 5.32 1127 851 A 29 ILE H A 28 LEU HBx 1.0 . 3.58 1128 851 A 29 ILE H A 28 LEU HBy 1.0 . 3.58 1129 852 A 28 LEU HBx A 39 LEU HD1% 1.0 . 2.91 1130 852 A 28 LEU HBy A 39 LEU HD1% 1.0 . 2.91 1131 852 A 39 LEU HD2% A 28 LEU HBx 1.0 . 2.91 1132 852 A 28 LEU HBy A 39 LEU HD2% 1.0 . 2.91 1133 853 A 28 LEU HBy A 80 LEU HD1% 1.0 . 3.64 1134 853 A 28 LEU HBx A 80 LEU HD1% 1.0 . 3.64 1135 853 A 80 LEU HD2% A 28 LEU HBx 1.0 . 3.64 1136 853 A 80 LEU HD2% A 28 LEU HBy 1.0 . 3.64 1137 854 A 28 LEU HD2% A 32 LEU HD1% 1.0 . 3.10 1138 854 A 28 LEU HD1% A 32 LEU HD1% 1.0 . 3.10 1139 854 A 32 LEU HD2% A 28 LEU HD1% 1.0 . 3.10 1140 854 A 28 LEU HD2% A 32 LEU HD2% 1.0 . 3.10 1141 855 A 28 LEU HD1% A 39 LEU HD1% 1.0 . 4.21 1142 855 A 28 LEU HD2% A 39 LEU HD1% 1.0 . 4.21 1143 855 A 39 LEU HD2% A 28 LEU HD1% 1.0 . 4.21 1144 855 A 28 LEU HD2% A 39 LEU HD2% 1.0 . 4.21 1145 856 A 28 LEU HD2% A 45 LEU HD1% 1.0 . 3.06 1146 856 A 45 LEU HD2% A 28 LEU HD1% 1.0 . 3.06 1147 856 A 28 LEU HD2% A 45 LEU HD2% 1.0 . 3.06 1148 856 A 28 LEU HD1% A 45 LEU HD1% 1.0 . 3.06 1149 857 A 48 ALA HB% A 28 LEU HD1% 1.0 . 4.48 1150 857 A 48 ALA HB% A 28 LEU HD2% 1.0 . 4.48 1151 858 A 28 LEU HD2% A 50 LEU HB2 1.0 . 5.44 1152 858 A 28 LEU HD1% A 50 LEU HB2 1.0 . 5.44 1153 858 A 50 LEU HBy A 28 LEU HD1% 1.0 . 5.44 1154 858 A 50 LEU HBy A 28 LEU HD2% 1.0 . 5.44 1155 859 A 28 LEU HD1% A 50 LEU HD1% 1.0 . 3.25 1156 859 A 28 LEU HD2% A 50 LEU HD1% 1.0 . 3.25 1157 859 A 50 LEU HD2% A 28 LEU HD1% 1.0 . 3.25 1158 859 A 28 LEU HD2% A 50 LEU HD2% 1.0 . 3.25 1159 860 A 58 TRP HD1 A 28 LEU HD1% 1.0 . 5.44 1160 860 A 58 TRP HD1 A 28 LEU HD2% 1.0 . 5.44 1161 861 A 58 TRP HE1 A 28 LEU HD1% 1.0 . 4.41 1162 861 A 58 TRP HE1 A 28 LEU HD2% 1.0 . 4.41 1163 862 A 58 TRP HZ2 A 28 LEU HD1% 1.0 . 4.50 1164 862 A 58 TRP HZ2 A 28 LEU HD2% 1.0 . 4.50 1165 863 A 80 LEU HA A 28 LEU HD1% 1.0 . 5.44 1166 863 A 80 LEU HA A 28 LEU HD2% 1.0 . 5.44 1167 864 A 28 LEU HD2% A 80 LEU HD1% 1.0 . 3.44 1168 864 A 28 LEU HD1% A 80 LEU HD1% 1.0 . 3.44 1169 864 A 80 LEU HD2% A 28 LEU HD1% 1.0 . 3.44 1170 864 A 80 LEU HD2% A 28 LEU HD2% 1.0 . 3.44 1171 865 A 83 TRP HZ3 A 28 LEU HD1% 1.0 . 4.54 1172 865 A 83 TRP HZ3 A 28 LEU HD2% 1.0 . 4.54 1173 866 A 29 ILE H A 31 GLU HBy 1.0 . 5.34 1174 866 A 29 ILE H A 31 GLU HBx 1.0 . 5.34 1175 867 A 29 ILE HA A 34 LEU HBy 1.0 . 4.24 1176 867 A 29 ILE HA A 34 LEU HBx 1.0 . 4.24 1177 868 A 29 ILE HA A 39 LEU HD1% 1.0 . 5.44 1178 868 A 29 ILE HA A 39 LEU HD2% 1.0 . 5.44 1179 869 A 29 ILE HG2% A 34 LEU HBy 1.0 . 3.76 1180 869 A 29 ILE HG2% A 34 LEU HBx 1.0 . 3.76 1181 870 A 29 ILE HG2% A 39 LEU HBx 1.0 . 3.52 1182 870 A 29 ILE HG2% A 39 LEU HBy 1.0 . 3.52 1183 871 A 29 ILE HG12 A 39 LEU HD1% 1.0 . 2.63 1184 871 A 29 ILE HG1y A 39 LEU HD1% 1.0 . 2.63 1185 871 A 39 LEU HD2% A 29 ILE HG12 1.0 . 2.63 1186 871 A 29 ILE HG1y A 39 LEU HD2% 1.0 . 2.63 1187 872 A 29 ILE HD1% A 36 PRO HBx 1.0 . 4.84 1188 872 A 29 ILE HD1% A 36 PRO HBy 1.0 . 4.84 1189 873 A 29 ILE HD1% A 36 PRO HGx 1.0 . 3.98 1190 873 A 29 ILE HD1% A 36 PRO HGy 1.0 . 3.98 1191 874 A 29 ILE HD1% A 39 LEU HBx 1.0 . 3.23 1192 874 A 29 ILE HD1% A 39 LEU HBy 1.0 . 3.23 1193 875 A 29 ILE HD1% A 39 LEU HD1% 1.0 . 2.40 1194 875 A 29 ILE HD1% A 39 LEU HD2% 1.0 . 2.40 1195 876 A 30 GLN H A 30 GLN HGx 1.0 . 4.44 1196 876 A 30 GLN H A 30 GLN HGy 1.0 . 4.44 1197 877 A 30 GLN HBy A 30 GLN HGx 1.0 . 2.35 1198 877 A 30 GLN HB2 A 30 GLN HGx 1.0 . 2.35 1199 877 A 30 GLN HGy A 30 GLN HB2 1.0 . 2.35 1200 877 A 30 GLN HBy A 30 GLN HGy 1.0 . 2.35 1201 878 A 31 GLU H A 31 GLU HBy 1.0 . 3.35 1202 878 A 31 GLU H A 31 GLU HBx 1.0 . 3.35 1203 879 A 31 GLU HA A 31 GLU HBy 1.0 . 2.31 1204 879 A 31 GLU HA A 31 GLU HBx 1.0 . 2.31 1205 880 A 31 GLU HBy A 31 GLU HGx 1.0 . 2.31 1206 880 A 31 GLU HBx A 31 GLU HGx 1.0 . 2.31 1207 880 A 31 GLU HG3 A 31 GLU HBy 1.0 . 2.31 1208 880 A 31 GLU HG3 A 31 GLU HBx 1.0 . 2.31 1209 881 A 33 ASN H A 31 GLU HBy 1.0 . 5.34 1210 881 A 33 ASN H A 31 GLU HBx 1.0 . 5.34 1211 882 A 32 LEU H A 32 LEU HBx 1.0 . 3.47 1212 882 A 32 LEU H A 32 LEU HBy 1.0 . 3.47 1213 883 A 32 LEU H A 45 LEU HD1% 1.0 . 5.44 1214 883 A 32 LEU H A 45 LEU HD2% 1.0 . 5.44 1215 884 A 32 LEU HA A 32 LEU HD1% 1.0 . 3.35 1216 884 A 32 LEU HD2% A 32 LEU HA 1.0 . 3.35 1217 885 A 32 LEU HBx A 32 LEU HD1% 1.0 . 2.47 1218 885 A 32 LEU HBy A 32 LEU HD1% 1.0 . 2.47 1219 885 A 32 LEU HD2% A 32 LEU HBx 1.0 . 2.47 1220 885 A 32 LEU HD2% A 32 LEU HBy 1.0 . 2.47 1221 886 A 33 ASN H A 32 LEU HD1% 1.0 . 5.44 1222 886 A 33 ASN H A 32 LEU HD2% 1.0 . 5.44 1223 887 A 32 LEU HD1% A 45 LEU HD1% 1.0 . 3.16 1224 887 A 32 LEU HD2% A 45 LEU HD1% 1.0 . 3.16 1225 887 A 45 LEU HD2% A 32 LEU HD1% 1.0 . 3.16 1226 887 A 32 LEU HD2% A 45 LEU HD2% 1.0 . 3.16 1227 888 A 48 ALA H A 32 LEU HD1% 1.0 . 5.04 1228 888 A 48 ALA H A 32 LEU HD2% 1.0 . 5.04 1229 889 A 48 ALA HB% A 32 LEU HD1% 1.0 . 2.95 1230 889 A 48 ALA HB% A 32 LEU HD2% 1.0 . 2.95 1231 890 A 49 GLY H A 32 LEU HD1% 1.0 . 5.44 1232 890 A 49 GLY H A 32 LEU HD2% 1.0 . 5.44 1233 891 A 50 LEU H A 32 LEU HD1% 1.0 . 4.48 1234 891 A 50 LEU H A 32 LEU HD2% 1.0 . 4.48 1235 892 A 50 LEU HA A 32 LEU HD1% 1.0 . 5.04 1236 892 A 50 LEU HA A 32 LEU HD2% 1.0 . 5.04 1237 893 A 32 LEU HD2% A 50 LEU HD1% 1.0 . 2.74 1238 893 A 32 LEU HD1% A 50 LEU HD1% 1.0 . 2.74 1239 893 A 50 LEU HD2% A 32 LEU HD1% 1.0 . 2.74 1240 893 A 32 LEU HD2% A 50 LEU HD2% 1.0 . 2.74 1241 894 A 34 LEU H A 34 LEU HBy 1.0 . 3.45 1242 894 A 34 LEU H A 34 LEU HBx 1.0 . 3.45 1243 895 A 34 LEU H A 34 LEU HD1% 1.0 . 4.69 1244 895 A 34 LEU H A 34 LEU HD2% 1.0 . 4.69 1245 896 A 34 LEU HG A 34 LEU HBy 1.0 . 2.61 1246 896 A 34 LEU HG A 34 LEU HBx 1.0 . 2.61 1247 897 A 34 LEU HBy A 34 LEU HD1% 1.0 . 2.50 1248 897 A 34 LEU HBx A 34 LEU HD1% 1.0 . 2.50 1249 897 A 34 LEU HD2% A 34 LEU HBy 1.0 . 2.50 1250 897 A 34 LEU HBx A 34 LEU HD2% 1.0 . 2.50 1251 898 A 35 THR H A 34 LEU HBy 1.0 . 3.68 1252 898 A 35 THR H A 34 LEU HBx 1.0 . 3.68 1253 899 A 34 LEU HBx A 39 LEU HD1% 1.0 . 3.17 1254 899 A 34 LEU HBy A 39 LEU HD1% 1.0 . 3.17 1255 899 A 39 LEU HD2% A 34 LEU HBy 1.0 . 3.17 1256 899 A 39 LEU HD2% A 34 LEU HBx 1.0 . 3.17 1257 900 A 35 THR H A 34 LEU HD1% 1.0 . 4.59 1258 900 A 35 THR H A 34 LEU HD2% 1.0 . 4.59 1259 901 A 34 LEU HD2% A 38 GLN HB2 1.0 . 4.04 1260 901 A 34 LEU HD1% A 38 GLN HB2 1.0 . 4.04 1261 901 A 38 GLN HBy A 34 LEU HD1% 1.0 . 4.04 1262 901 A 38 GLN HBy A 34 LEU HD2% 1.0 . 4.04 1263 902 A 34 LEU HD2% A 38 GLN HGx 1.0 . 5.44 1264 902 A 34 LEU HD1% A 38 GLN HGx 1.0 . 5.44 1265 902 A 38 GLN HG3 A 34 LEU HD1% 1.0 . 5.44 1266 902 A 38 GLN HG3 A 34 LEU HD2% 1.0 . 5.44 1267 903 A 34 LEU HD1% A 39 LEU HBx 1.0 . 2.91 1268 903 A 34 LEU HD2% A 39 LEU HBx 1.0 . 2.91 1269 903 A 39 LEU HBy A 34 LEU HD1% 1.0 . 2.91 1270 903 A 39 LEU HBy A 34 LEU HD2% 1.0 . 2.91 1271 904 A 48 ALA HB% A 34 LEU HD1% 1.0 . 2.92 1272 904 A 48 ALA HB% A 34 LEU HD2% 1.0 . 2.92 1273 905 A 34 LEU HD2% A 50 LEU HD1% 1.0 . 3.03 1274 905 A 34 LEU HD1% A 50 LEU HD1% 1.0 . 3.03 1275 905 A 50 LEU HD2% A 34 LEU HD1% 1.0 . 3.03 1276 905 A 50 LEU HD2% A 34 LEU HD2% 1.0 . 3.03 1277 906 A 37 GLN H A 37 GLN HBy 1.0 . 3.56 1278 906 A 37 GLN H A 37 GLN HBx 1.0 . 3.56 1279 907 A 37 GLN H A 37 GLN HGx 1.0 . 4.74 1280 907 A 37 GLN H A 37 GLN HGy 1.0 . 4.74 1281 908 A 37 GLN HA A 37 GLN HGx 1.0 . 3.14 1282 908 A 37 GLN HGy A 37 GLN HA 1.0 . 3.14 1283 909 A 38 GLN H A 37 GLN HBy 1.0 . 4.08 1284 909 A 38 GLN H A 37 GLN HBx 1.0 . 4.08 1285 910 A 38 GLN HBy A 39 LEU HD1% 1.0 . 5.44 1286 910 A 38 GLN HB2 A 39 LEU HD1% 1.0 . 5.44 1287 910 A 39 LEU HD2% A 38 GLN HB2 1.0 . 5.44 1288 910 A 38 GLN HBy A 39 LEU HD2% 1.0 . 5.44 1289 911 A 39 LEU HA A 39 LEU HD1% 1.0 . 3.01 1290 911 A 39 LEU HA A 39 LEU HD2% 1.0 . 3.01 1291 912 A 39 LEU HBx A 39 LEU HD1% 1.0 . 2.31 1292 912 A 39 LEU HBy A 39 LEU HD1% 1.0 . 2.31 1293 912 A 39 LEU HD2% A 39 LEU HBx 1.0 . 2.31 1294 912 A 39 LEU HD2% A 39 LEU HBy 1.0 . 2.31 1295 913 A 40 HIS H A 39 LEU HD1% 1.0 . 4.48 1296 913 A 40 HIS H A 39 LEU HD2% 1.0 . 4.48 1297 914 A 39 LEU HD2% A 43 SER HBx 1.0 . 3.33 1298 914 A 43 SER HBy A 39 LEU HD1% 1.0 . 3.33 1299 914 A 39 LEU HD2% A 43 SER HBy 1.0 . 3.33 1300 914 A 39 LEU HD1% A 43 SER HBx 1.0 . 3.33 1301 915 A 39 LEU HD1% A 45 LEU HD1% 1.0 . 3.62 1302 915 A 39 LEU HD2% A 45 LEU HD1% 1.0 . 3.62 1303 915 A 45 LEU HD2% A 39 LEU HD1% 1.0 . 3.62 1304 915 A 39 LEU HD2% A 45 LEU HD2% 1.0 . 3.62 1305 916 A 81 ALA H A 39 LEU HD1% 1.0 . 5.44 1306 916 A 81 ALA H A 39 LEU HD2% 1.0 . 5.44 1307 917 A 40 HIS H A 43 SER HBx 1.0 . 4.69 1308 917 A 40 HIS H A 43 SER HBy 1.0 . 4.69 1309 918 A 42 GLU HBx A 42 GLU HGx 1.0 . 2.31 1310 918 A 42 GLU HG3 A 42 GLU HBx 1.0 . 2.31 1311 918 A 42 GLU HG3 A 42 GLU HBy 1.0 . 2.31 1312 918 A 42 GLU HBy A 42 GLU HGx 1.0 . 2.31 1313 919 A 43 SER H A 43 SER HBx 1.0 . 3.52 1314 919 A 43 SER H A 43 SER HBy 1.0 . 3.52 1315 920 A 47 GLN H A 44 ASN HBx 1.0 . 5.34 1316 920 A 47 GLN H A 44 ASN HBy 1.0 . 5.34 1317 921 A 44 ASN HBx A 47 GLN HB2 1.0 . 3.65 1318 921 A 44 ASN HBy A 47 GLN HB2 1.0 . 3.65 1319 921 A 47 GLN HBy A 44 ASN HBx 1.0 . 3.65 1320 921 A 44 ASN HBy A 47 GLN HBy 1.0 . 3.65 1321 922 A 44 ASN HBy A 47 GLN HGx 1.0 . 3.01 1322 922 A 44 ASN HBx A 47 GLN HGx 1.0 . 3.01 1323 922 A 47 GLN HG3 A 44 ASN HBx 1.0 . 3.01 1324 922 A 47 GLN HG3 A 44 ASN HBy 1.0 . 3.01 1325 923 A 45 LEU H A 45 LEU HD1% 1.0 . 4.46 1326 923 A 45 LEU H A 45 LEU HD2% 1.0 . 4.46 1327 924 A 45 LEU H A 78 PRO HBy 1.0 . 5.10 1328 924 A 45 LEU H A 78 PRO HBx 1.0 . 5.10 1329 925 A 45 LEU HA A 45 LEU HD1% 1.0 . 3.26 1330 925 A 45 LEU HA A 45 LEU HD2% 1.0 . 3.26 1331 926 A 45 LEU HB2 A 46 ILE HG1x 1.0 . 3.75 1332 926 A 45 LEU HBy A 46 ILE HG1x 1.0 . 3.75 1333 926 A 46 ILE HG1y A 45 LEU HB2 1.0 . 3.75 1334 926 A 45 LEU HBy A 46 ILE HG1y 1.0 . 3.75 1335 927 A 45 LEU HB2 A 50 LEU HD1% 1.0 . 3.10 1336 927 A 45 LEU HBy A 50 LEU HD1% 1.0 . 3.10 1337 927 A 50 LEU HD2% A 45 LEU HB2 1.0 . 3.10 1338 927 A 45 LEU HBy A 50 LEU HD2% 1.0 . 3.10 1339 928 A 46 ILE HD1% A 45 LEU HD1% 1.0 . 4.61 1340 928 A 46 ILE HD1% A 45 LEU HD2% 1.0 . 4.61 1341 929 A 48 ALA HB% A 45 LEU HD1% 1.0 . 3.37 1342 929 A 48 ALA HB% A 45 LEU HD2% 1.0 . 3.37 1343 930 A 45 LEU HD2% A 50 LEU HD1% 1.0 . 3.41 1344 930 A 50 LEU HD2% A 45 LEU HD1% 1.0 . 3.41 1345 930 A 45 LEU HD2% A 50 LEU HD2% 1.0 . 3.41 1346 930 A 45 LEU HD1% A 50 LEU HD1% 1.0 . 3.41 1347 931 A 79 THR H A 45 LEU HD1% 1.0 . 5.44 1348 931 A 79 THR H A 45 LEU HD2% 1.0 . 5.44 1349 932 A 79 THR HA A 45 LEU HD1% 1.0 . 4.66 1350 932 A 79 THR HA A 45 LEU HD2% 1.0 . 4.66 1351 933 A 79 THR HG2% A 45 LEU HD1% 1.0 . 4.52 1352 933 A 79 THR HG2% A 45 LEU HD2% 1.0 . 4.52 1353 934 A 45 LEU HD2% A 80 LEU HBx 1.0 . 4.16 1354 934 A 45 LEU HD1% A 80 LEU HBx 1.0 . 4.16 1355 934 A 80 LEU HBy A 45 LEU HD1% 1.0 . 4.16 1356 934 A 80 LEU HBy A 45 LEU HD2% 1.0 . 4.16 1357 935 A 45 LEU HD1% A 80 LEU HD1% 1.0 . 3.25 1358 935 A 45 LEU HD2% A 80 LEU HD1% 1.0 . 3.25 1359 935 A 80 LEU HD2% A 45 LEU HD1% 1.0 . 3.25 1360 935 A 80 LEU HD2% A 45 LEU HD2% 1.0 . 3.25 1361 936 A 83 TRP HD1 A 45 LEU HD1% 1.0 . 4.99 1362 936 A 83 TRP HD1 A 45 LEU HD2% 1.0 . 4.99 1363 937 A 83 TRP HZ3 A 45 LEU HD1% 1.0 . 5.44 1364 937 A 83 TRP HZ3 A 45 LEU HD2% 1.0 . 5.44 1365 938 A 83 TRP HZ2 A 45 LEU HD1% 1.0 . 5.44 1366 938 A 83 TRP HZ2 A 45 LEU HD2% 1.0 . 5.44 1367 939 A 46 ILE H A 78 PRO HBy 1.0 . 4.04 1368 939 A 46 ILE H A 78 PRO HBx 1.0 . 4.04 1369 940 A 46 ILE HA A 46 ILE HG1x 1.0 . 3.61 1370 940 A 46 ILE HA A 46 ILE HG1y 1.0 . 3.61 1371 941 A 47 GLN H A 46 ILE HG1x 1.0 . 5.34 1372 941 A 47 GLN H A 46 ILE HG1y 1.0 . 5.34 1373 942 A 46 ILE HG1y A 55 LEU HD1% 1.0 . 3.45 1374 942 A 55 LEU HD2% A 46 ILE HG1x 1.0 . 3.45 1375 942 A 46 ILE HG1y A 55 LEU HD2% 1.0 . 3.45 1376 942 A 46 ILE HG1x A 55 LEU HD1% 1.0 . 3.45 1377 943 A 46 ILE HG1y A 78 PRO HBy 1.0 . 4.66 1378 943 A 46 ILE HG1x A 78 PRO HBy 1.0 . 4.66 1379 943 A 78 PRO HBx A 46 ILE HG1x 1.0 . 4.66 1380 943 A 78 PRO HBx A 46 ILE HG1y 1.0 . 4.66 1381 944 A 46 ILE HG1y A 78 PRO HGx 1.0 . 5.34 1382 944 A 78 PRO HG3 A 46 ILE HG1x 1.0 . 5.34 1383 944 A 78 PRO HG3 A 46 ILE HG1y 1.0 . 5.34 1384 944 A 46 ILE HG1x A 78 PRO HGx 1.0 . 5.34 1385 945 A 47 GLN H A 47 GLN HB2 1.0 . 3.67 1386 945 A 47 GLN H A 47 GLN HBy 1.0 . 3.67 1387 946 A 47 GLN H A 49 GLY HAy 1.0 . 5.34 1388 946 A 47 GLN H A 49 GLY HAx 1.0 . 5.34 1389 947 A 47 GLN HB2 A 47 GLN HGx 1.0 . 2.25 1390 947 A 47 GLN HG3 A 47 GLN HB2 1.0 . 2.25 1391 947 A 47 GLN HG3 A 47 GLN HBy 1.0 . 2.25 1392 947 A 47 GLN HBy A 47 GLN HGx 1.0 . 2.25 1393 948 A 50 LEU H A 50 LEU HD1% 1.0 . 4.57 1394 948 A 50 LEU H A 50 LEU HD2% 1.0 . 4.57 1395 949 A 50 LEU HB2 A 55 LEU HD1% 1.0 . 3.09 1396 949 A 50 LEU HBy A 55 LEU HD1% 1.0 . 3.09 1397 949 A 55 LEU HD2% A 50 LEU HB2 1.0 . 3.09 1398 949 A 50 LEU HBy A 55 LEU HD2% 1.0 . 3.09 1399 950 A 51 ASP H A 50 LEU HD1% 1.0 . 4.66 1400 950 A 51 ASP H A 50 LEU HD2% 1.0 . 4.66 1401 951 A 55 LEU H A 50 LEU HD1% 1.0 . 5.11 1402 951 A 55 LEU H A 50 LEU HD2% 1.0 . 5.11 1403 952 A 58 TRP HD1 A 50 LEU HD1% 1.0 . 3.13 1404 952 A 58 TRP HD1 A 50 LEU HD2% 1.0 . 3.13 1405 953 A 58 TRP HE1 A 50 LEU HD1% 1.0 . 4.96 1406 953 A 58 TRP HE1 A 50 LEU HD2% 1.0 . 4.96 1407 954 A 83 TRP HZ2 A 50 LEU HD1% 1.0 . 4.05 1408 954 A 83 TRP HZ2 A 50 LEU HD2% 1.0 . 4.05 1409 955 A 83 TRP HH2 A 50 LEU HD1% 1.0 . 3.71 1410 955 A 83 TRP HH2 A 50 LEU HD2% 1.0 . 3.71 1411 956 A 51 ASP H A 51 ASP HBy 1.0 . 3.67 1412 956 A 51 ASP H A 51 ASP HBx 1.0 . 3.67 1413 957 A 51 ASP H A 54 ARG HBx 1.0 . 3.82 1414 957 A 51 ASP H A 54 ARG HBy 1.0 . 3.82 1415 958 A 52 SER H A 51 ASP HBy 1.0 . 4.07 1416 958 A 52 SER H A 51 ASP HBx 1.0 . 4.07 1417 959 A 53 ILE H A 51 ASP HBy 1.0 . 5.34 1418 959 A 53 ILE H A 51 ASP HBx 1.0 . 5.34 1419 960 A 52 SER HB3 A 55 LEU HBy 1.0 . 3.29 1420 960 A 52 SER HBx A 55 LEU HBy 1.0 . 3.29 1421 960 A 55 LEU HBx A 52 SER HBx 1.0 . 3.29 1422 960 A 52 SER HB3 A 55 LEU HBx 1.0 . 3.29 1423 961 A 52 SER HBx A 55 LEU HD1% 1.0 . 3.68 1424 961 A 52 SER HB3 A 55 LEU HD1% 1.0 . 3.68 1425 961 A 55 LEU HD2% A 52 SER HBx 1.0 . 3.68 1426 961 A 52 SER HB3 A 55 LEU HD2% 1.0 . 3.68 1427 962 A 53 ILE H A 53 ILE HG1x 1.0 . 3.78 1428 962 A 53 ILE H A 53 ILE HG1y 1.0 . 3.78 1429 963 A 53 ILE HA A 53 ILE HG1x 1.0 . 3.28 1430 963 A 53 ILE HA A 53 ILE HG1y 1.0 . 3.28 1431 964 A 53 ILE HA A 56 MET HBx 1.0 . 4.88 1432 964 A 53 ILE HA A 56 MET HBy 1.0 . 4.88 1433 965 A 53 ILE HG2% A 53 ILE HG1x 1.0 . 3.12 1434 965 A 53 ILE HG2% A 53 ILE HG1y 1.0 . 3.12 1435 966 A 54 ARG H A 54 ARG HBx 1.0 . 3.49 1436 966 A 54 ARG H A 54 ARG HBy 1.0 . 3.49 1437 967 A 55 LEU H A 54 ARG HBx 1.0 . 4.13 1438 967 A 55 LEU H A 54 ARG HBy 1.0 . 4.13 1439 968 A 58 TRP HE1 A 54 ARG HBx 1.0 . 5.34 1440 968 A 58 TRP HE1 A 54 ARG HBy 1.0 . 5.34 1441 969 A 55 LEU H A 55 LEU HD1% 1.0 . 5.12 1442 969 A 55 LEU H A 55 LEU HD2% 1.0 . 5.12 1443 970 A 55 LEU H A 57 ARG HGy 1.0 . 5.34 1444 970 A 55 LEU H A 57 ARG HGx 1.0 . 5.34 1445 971 A 55 LEU H A 71 LEU HD1% 1.0 . 5.44 1446 971 A 55 LEU H A 71 LEU HD2% 1.0 . 5.44 1447 972 A 55 LEU HA A 55 LEU HD1% 1.0 . 3.42 1448 972 A 55 LEU HA A 55 LEU HD2% 1.0 . 3.42 1449 973 A 55 LEU HA A 58 TRP HBx 1.0 . 4.66 1450 973 A 55 LEU HA A 58 TRP HBy 1.0 . 4.66 1451 974 A 55 LEU HBy A 55 LEU HD1% 1.0 . 2.54 1452 974 A 55 LEU HD2% A 55 LEU HBy 1.0 . 2.54 1453 974 A 55 LEU HD2% A 55 LEU HBx 1.0 . 2.54 1454 974 A 55 LEU HBx A 55 LEU HD1% 1.0 . 2.54 1455 975 A 56 MET H A 55 LEU HBy 1.0 . 3.91 1456 975 A 56 MET H A 55 LEU HBx 1.0 . 3.91 1457 976 A 83 TRP HZ2 A 55 LEU HBy 1.0 . 5.34 1458 976 A 83 TRP HZ2 A 55 LEU HBx 1.0 . 5.34 1459 977 A 58 TRP HD1 A 55 LEU HD1% 1.0 . 3.93 1460 977 A 58 TRP HD1 A 55 LEU HD2% 1.0 . 3.93 1461 978 A 58 TRP HE1 A 55 LEU HD1% 1.0 . 4.79 1462 978 A 58 TRP HE1 A 55 LEU HD2% 1.0 . 4.79 1463 979 A 55 LEU HD1% A 74 LEU HBx 1.0 . 3.01 1464 979 A 55 LEU HD2% A 74 LEU HBx 1.0 . 3.01 1465 979 A 74 LEU HBy A 55 LEU HD1% 1.0 . 3.01 1466 979 A 55 LEU HD2% A 74 LEU HBy 1.0 . 3.01 1467 980 A 55 LEU HD1% A 74 LEU HBx 1.0 . 5.40 1468 981 A 55 LEU HD2% A 74 LEU HBx 1.0 . 5.40 1469 982 A 55 LEU HD1% A 74 LEU HD1% 1.0 . 3.57 1470 982 A 55 LEU HD2% A 74 LEU HD1% 1.0 . 3.57 1471 982 A 74 LEU HD2% A 55 LEU HD1% 1.0 . 3.57 1472 982 A 55 LEU HD2% A 74 LEU HD2% 1.0 . 3.57 1473 983 A 75 TYR HA A 55 LEU HD1% 1.0 . 4.00 1474 983 A 75 TYR HA A 55 LEU HD2% 1.0 . 4.00 1475 984 A 55 LEU HD1% A 75 TYR HB2 1.0 . 4.22 1476 984 A 55 LEU HD2% A 75 TYR HB2 1.0 . 4.22 1477 984 A 75 TYR HBy A 55 LEU HD1% 1.0 . 4.22 1478 984 A 75 TYR HBy A 55 LEU HD2% 1.0 . 4.22 1479 985 A 75 TYR HD% A 55 LEU HD1% 1.0 . 4.40 1480 985 A 75 TYR HD% A 55 LEU HD2% 1.0 . 4.40 1481 986 A 75 TYR HE% A 55 LEU HD1% 1.0 . 4.42 1482 986 A 75 TYR HE% A 55 LEU HD2% 1.0 . 4.42 1483 987 A 83 TRP HZ2 A 55 LEU HD1% 1.0 . 3.51 1484 987 A 83 TRP HZ2 A 55 LEU HD2% 1.0 . 3.51 1485 988 A 83 TRP HH2 A 55 LEU HD1% 1.0 . 4.68 1486 988 A 83 TRP HH2 A 55 LEU HD2% 1.0 . 4.68 1487 989 A 56 MET H A 56 MET HBx 1.0 . 3.25 1488 989 A 56 MET H A 56 MET HBy 1.0 . 3.25 1489 990 A 56 MET H A 57 ARG HGy 1.0 . 4.22 1490 990 A 56 MET H A 57 ARG HGx 1.0 . 4.22 1491 991 A 56 MET H A 71 LEU HD1% 1.0 . 5.00 1492 991 A 56 MET H A 71 LEU HD2% 1.0 . 5.00 1493 992 A 56 MET HA A 71 LEU HD1% 1.0 . 3.79 1494 992 A 71 LEU HD2% A 56 MET HA 1.0 . 3.79 1495 993 A 57 ARG H A 56 MET HBx 1.0 . 4.20 1496 993 A 57 ARG H A 56 MET HBy 1.0 . 4.20 1497 994 A 56 MET HGx A 71 LEU HD1% 1.0 . 3.99 1498 994 A 56 MET HG3 A 71 LEU HD1% 1.0 . 3.99 1499 994 A 71 LEU HD2% A 56 MET HGx 1.0 . 3.99 1500 994 A 56 MET HG3 A 71 LEU HD2% 1.0 . 3.99 1501 995 A 56 MET HE% A 71 LEU HD1% 1.0 . 3.70 1502 995 A 56 MET HE% A 71 LEU HD2% 1.0 . 3.70 1503 996 A 57 ARG H A 57 ARG HBy 1.0 . 3.26 1504 996 A 57 ARG H A 57 ARG HBx 1.0 . 3.26 1505 997 A 57 ARG H A 57 ARG HGy 1.0 . 5.34 1506 997 A 57 ARG H A 57 ARG HGx 1.0 . 5.34 1507 998 A 57 ARG H A 58 TRP HBx 1.0 . 5.34 1508 998 A 57 ARG H A 58 TRP HBy 1.0 . 5.34 1509 999 A 57 ARG HA A 57 ARG HGy 1.0 . 3.53 1510 999 A 57 ARG HA A 57 ARG HGx 1.0 . 3.53 1511 1000 A 57 ARG HBx A 57 ARG HDx 1.0 . 3.03 1512 1000 A 57 ARG HBy A 57 ARG HDx 1.0 . 3.03 1513 1000 A 57 ARG HD3 A 57 ARG HBy 1.0 . 3.03 1514 1000 A 57 ARG HD3 A 57 ARG HBx 1.0 . 3.03 1515 1001 A 58 TRP H A 57 ARG HBy 1.0 . 4.05 1516 1001 A 58 TRP H A 57 ARG HBx 1.0 . 4.05 1517 1002 A 58 TRP H A 58 TRP HBx 1.0 . 3.53 1518 1002 A 58 TRP H A 58 TRP HBy 1.0 . 3.53 1519 1003 A 58 TRP HA A 61 TRP HBy 1.0 . 4.86 1520 1003 A 58 TRP HA A 61 TRP HBx 1.0 . 4.86 1521 1004 A 59 LEU H A 58 TRP HBx 1.0 . 4.27 1522 1004 A 59 LEU H A 58 TRP HBy 1.0 . 4.27 1523 1005 A 62 PHE HE% A 58 TRP HBx 1.0 . 5.34 1524 1005 A 62 PHE HE% A 58 TRP HBy 1.0 . 5.34 1525 1006 A 59 LEU H A 59 LEU HD1% 1.0 . 4.57 1526 1006 A 59 LEU H A 59 LEU HD2% 1.0 . 4.57 1527 1007 A 59 LEU H A 74 LEU HD1% 1.0 . 4.89 1528 1007 A 59 LEU H A 74 LEU HD2% 1.0 . 4.89 1529 1008 A 59 LEU HA A 59 LEU HD1% 1.0 . 3.64 1530 1008 A 59 LEU HA A 59 LEU HD2% 1.0 . 3.64 1531 1009 A 59 LEU HA A 74 LEU HD1% 1.0 . 4.44 1532 1009 A 59 LEU HA A 74 LEU HD2% 1.0 . 4.44 1533 1010 A 59 LEU HG A 59 LEU HBx 1.0 . 2.31 1534 1010 A 59 LEU HG A 59 LEU HBy 1.0 . 2.31 1535 1011 A 59 LEU HBy A 59 LEU HD1% 1.0 . 2.56 1536 1011 A 59 LEU HBx A 59 LEU HD1% 1.0 . 2.56 1537 1011 A 59 LEU HD2% A 59 LEU HBx 1.0 . 2.56 1538 1011 A 59 LEU HD2% A 59 LEU HBy 1.0 . 2.56 1539 1012 A 60 HIS H A 59 LEU HBx 1.0 . 3.86 1540 1012 A 60 HIS H A 59 LEU HBy 1.0 . 3.86 1541 1013 A 59 LEU HBx A 71 LEU HD1% 1.0 . 3.97 1542 1013 A 59 LEU HBy A 71 LEU HD1% 1.0 . 3.97 1543 1013 A 71 LEU HD2% A 59 LEU HBx 1.0 . 3.97 1544 1013 A 71 LEU HD2% A 59 LEU HBy 1.0 . 3.97 1545 1014 A 59 LEU HBy A 74 LEU HD1% 1.0 . 4.32 1546 1014 A 59 LEU HBx A 74 LEU HD1% 1.0 . 4.32 1547 1014 A 74 LEU HD2% A 59 LEU HBx 1.0 . 4.32 1548 1014 A 74 LEU HD2% A 59 LEU HBy 1.0 . 4.32 1549 1015 A 61 TRP H A 59 LEU HD1% 1.0 . 5.44 1550 1015 A 61 TRP H A 59 LEU HD2% 1.0 . 5.44 1551 1016 A 62 PHE HD% A 59 LEU HD1% 1.0 . 5.44 1552 1016 A 62 PHE HD% A 59 LEU HD2% 1.0 . 5.44 1553 1017 A 59 LEU HD1% A 63 ARG HGx 1.0 . 4.01 1554 1017 A 59 LEU HD2% A 63 ARG HGx 1.0 . 4.01 1555 1017 A 63 ARG HG3 A 59 LEU HD1% 1.0 . 4.01 1556 1017 A 63 ARG HG3 A 59 LEU HD2% 1.0 . 4.01 1557 1018 A 69 LEU H A 59 LEU HD1% 1.0 . 5.44 1558 1018 A 69 LEU H A 59 LEU HD2% 1.0 . 5.44 1559 1019 A 59 LEU HD2% A 69 LEU HD1% 1.0 . 4.05 1560 1019 A 59 LEU HD1% A 69 LEU HD1% 1.0 . 4.05 1561 1019 A 69 LEU HD2% A 59 LEU HD1% 1.0 . 4.05 1562 1019 A 59 LEU HD2% A 69 LEU HD2% 1.0 . 4.05 1563 1020 A 70 THR H A 59 LEU HD1% 1.0 . 5.44 1564 1020 A 70 THR H A 59 LEU HD2% 1.0 . 5.44 1565 1021 A 71 LEU H A 59 LEU HD1% 1.0 . 4.02 1566 1021 A 71 LEU H A 59 LEU HD2% 1.0 . 4.02 1567 1022 A 71 LEU HA A 59 LEU HD1% 1.0 . 4.37 1568 1022 A 71 LEU HA A 59 LEU HD2% 1.0 . 4.37 1569 1023 A 59 LEU HD2% A 74 LEU HD1% 1.0 . 3.90 1570 1023 A 59 LEU HD1% A 74 LEU HD1% 1.0 . 3.90 1571 1023 A 74 LEU HD2% A 59 LEU HD1% 1.0 . 3.90 1572 1023 A 74 LEU HD2% A 59 LEU HD2% 1.0 . 3.90 1573 1024 A 60 HIS H A 62 PHE HBx 1.0 . 5.34 1574 1024 A 60 HIS H A 62 PHE HBy 1.0 . 5.34 1575 1025 A 62 PHE H A 61 TRP HBy 1.0 . 4.07 1576 1025 A 62 PHE H A 61 TRP HBx 1.0 . 4.07 1577 1026 A 62 PHE H A 62 PHE HBx 1.0 . 3.55 1578 1026 A 62 PHE H A 62 PHE HBy 1.0 . 3.55 1579 1027 A 62 PHE HA A 67 TYR HBx 1.0 . 5.34 1580 1027 A 62 PHE HA A 67 TYR HBy 1.0 . 5.34 1581 1028 A 62 PHE HD% A 69 LEU HD1% 1.0 . 4.90 1582 1028 A 62 PHE HD% A 69 LEU HD2% 1.0 . 4.90 1583 1029 A 62 PHE HD% A 74 LEU HD1% 1.0 . 4.48 1584 1029 A 62 PHE HD% A 74 LEU HD2% 1.0 . 4.48 1585 1030 A 62 PHE HE% A 69 LEU HD1% 1.0 . 4.41 1586 1030 A 62 PHE HE% A 69 LEU HD2% 1.0 . 4.41 1587 1031 A 62 PHE HZ A 74 LEU HD1% 1.0 . 5.41 1588 1031 A 62 PHE HZ A 74 LEU HD2% 1.0 . 5.41 1589 1032 A 62 PHE HZ A 83 TRP HBx 1.0 . 4.98 1590 1032 A 62 PHE HZ A 83 TRP HBy 1.0 . 4.98 1591 1033 A 64 LYS H A 64 LYS HBy 1.0 . 3.33 1592 1033 A 64 LYS H A 64 LYS HBx 1.0 . 3.33 1593 1034 A 64 LYS HA A 64 LYS HBy 1.0 . 2.62 1594 1034 A 64 LYS HA A 64 LYS HBx 1.0 . 2.62 1595 1035 A 65 ASN H A 64 LYS HBy 1.0 . 4.11 1596 1035 A 65 ASN H A 64 LYS HBx 1.0 . 4.11 1597 1036 A 65 ASN H A 65 ASN HBy 1.0 . 3.43 1598 1036 A 65 ASN H A 65 ASN HBx 1.0 . 3.43 1599 1037 A 65 ASN H A 66 GLY HAx 1.0 . 5.34 1600 1037 A 65 ASN H A 66 GLY HAy 1.0 . 5.34 1601 1038 A 67 TYR H A 65 ASN HBy 1.0 . 5.34 1602 1038 A 67 TYR H A 65 ASN HBx 1.0 . 5.34 1603 1039 A 67 TYR HD% A 65 ASN HBy 1.0 . 4.30 1604 1039 A 67 TYR HD% A 65 ASN HBx 1.0 . 4.30 1605 1040 A 67 TYR HE% A 65 ASN HBy 1.0 . 3.81 1606 1040 A 67 TYR HE% A 65 ASN HBx 1.0 . 3.81 1607 1041 A 67 TYR H A 67 TYR HBx 1.0 . 3.59 1608 1041 A 67 TYR H A 67 TYR HBy 1.0 . 3.59 1609 1042 A 67 TYR HBy A 69 LEU HD1% 1.0 . 4.19 1610 1042 A 67 TYR HBx A 69 LEU HD1% 1.0 . 4.19 1611 1042 A 69 LEU HD2% A 67 TYR HBx 1.0 . 4.19 1612 1042 A 69 LEU HD2% A 67 TYR HBy 1.0 . 4.19 1613 1043 A 67 TYR HE% A 87 MET HBy 1.0 . 3.63 1614 1043 A 67 TYR HE% A 87 MET HBx 1.0 . 3.63 1615 1044 A 68 ARG H A 68 ARG HBx 1.0 . 3.40 1616 1044 A 68 ARG H A 68 ARG HBy 1.0 . 3.40 1617 1045 A 68 ARG H A 68 ARG HGx 1.0 . 4.02 1618 1045 A 68 ARG H A 68 ARG HGy 1.0 . 4.02 1619 1046 A 68 ARG HBx A 68 ARG HGx 1.0 . 2.15 1620 1046 A 68 ARG HBy A 68 ARG HGx 1.0 . 2.15 1621 1046 A 68 ARG HGy A 68 ARG HBx 1.0 . 2.15 1622 1046 A 68 ARG HBy A 68 ARG HGy 1.0 . 2.15 1623 1047 A 68 ARG HBy A 68 ARG HDx 1.0 . 2.56 1624 1047 A 68 ARG HBx A 68 ARG HDx 1.0 . 2.56 1625 1047 A 68 ARG HD3 A 68 ARG HBx 1.0 . 2.56 1626 1047 A 68 ARG HD3 A 68 ARG HBy 1.0 . 2.56 1627 1048 A 68 ARG HD3 A 68 ARG HGx 1.0 . 2.31 1628 1048 A 68 ARG HDx A 68 ARG HGx 1.0 . 2.31 1629 1048 A 68 ARG HGy A 68 ARG HDx 1.0 . 2.31 1630 1048 A 68 ARG HD3 A 68 ARG HGy 1.0 . 2.31 1631 1049 A 69 LEU H A 69 LEU HBy 1.0 . 3.64 1632 1049 A 69 LEU H A 69 LEU HBx 1.0 . 3.64 1633 1050 A 69 LEU H A 69 LEU HD1% 1.0 . 4.81 1634 1050 A 69 LEU H A 69 LEU HD2% 1.0 . 4.81 1635 1051 A 69 LEU HG A 69 LEU HBy 1.0 . 2.51 1636 1051 A 69 LEU HG A 69 LEU HBx 1.0 . 2.51 1637 1052 A 69 LEU HBx A 69 LEU HD1% 1.0 . 2.70 1638 1052 A 69 LEU HBy A 69 LEU HD1% 1.0 . 2.70 1639 1052 A 69 LEU HD2% A 69 LEU HBy 1.0 . 2.70 1640 1052 A 69 LEU HD2% A 69 LEU HBx 1.0 . 2.70 1641 1053 A 74 LEU HG A 69 LEU HD1% 1.0 . 3.73 1642 1053 A 74 LEU HG A 69 LEU HD2% 1.0 . 3.73 1643 1054 A 69 LEU HD2% A 74 LEU HD1% 1.0 . 2.91 1644 1054 A 69 LEU HD1% A 74 LEU HD1% 1.0 . 2.91 1645 1054 A 74 LEU HD2% A 69 LEU HD1% 1.0 . 2.91 1646 1054 A 74 LEU HD2% A 69 LEU HD2% 1.0 . 2.91 1647 1055 A 69 LEU HD2% A 86 LEU HBx 1.0 . 3.23 1648 1055 A 69 LEU HD1% A 86 LEU HBx 1.0 . 3.23 1649 1055 A 86 LEU HBy A 69 LEU HD1% 1.0 . 3.23 1650 1055 A 69 LEU HD2% A 86 LEU HBy 1.0 . 3.23 1651 1056 A 69 LEU HD2% A 86 LEU HBx 1.0 . 5.30 1652 1057 A 69 LEU HD2% A 86 LEU HD1% 1.0 . 3.58 1653 1057 A 69 LEU HD1% A 86 LEU HD1% 1.0 . 3.58 1654 1057 A 86 LEU HD2% A 69 LEU HD1% 1.0 . 3.58 1655 1057 A 69 LEU HD2% A 86 LEU HD2% 1.0 . 3.58 1656 1058 A 71 LEU H A 71 LEU HBx 1.0 . 3.25 1657 1058 A 71 LEU H A 71 LEU HBy 1.0 . 3.25 1658 1059 A 71 LEU HA A 71 LEU HD1% 1.0 . 3.17 1659 1059 A 71 LEU HA A 71 LEU HD2% 1.0 . 3.17 1660 1060 A 71 LEU HA A 74 LEU HD1% 1.0 . 5.01 1661 1060 A 71 LEU HA A 74 LEU HD2% 1.0 . 5.01 1662 1061 A 71 LEU HG A 71 LEU HBx 1.0 . 2.43 1663 1061 A 71 LEU HG A 71 LEU HBy 1.0 . 2.43 1664 1062 A 71 LEU HBy A 71 LEU HD1% 1.0 . 2.12 1665 1062 A 71 LEU HBx A 71 LEU HD1% 1.0 . 2.12 1666 1062 A 71 LEU HD2% A 71 LEU HBx 1.0 . 2.12 1667 1062 A 71 LEU HD2% A 71 LEU HBy 1.0 . 2.12 1668 1063 A 72 ARG H A 71 LEU HBx 1.0 . 3.60 1669 1063 A 72 ARG H A 71 LEU HBy 1.0 . 3.60 1670 1064 A 73 GLU H A 71 LEU HBx 1.0 . 4.19 1671 1064 A 73 GLU H A 71 LEU HBy 1.0 . 4.19 1672 1065 A 75 TYR H A 71 LEU HBx 1.0 . 5.34 1673 1065 A 75 TYR H A 71 LEU HBy 1.0 . 5.34 1674 1066 A 75 TYR HD% A 71 LEU HBx 1.0 . 5.34 1675 1066 A 75 TYR HD% A 71 LEU HBy 1.0 . 5.34 1676 1067 A 71 LEU HD1% A 75 TYR HB2 1.0 . 5.44 1677 1067 A 71 LEU HD2% A 75 TYR HB2 1.0 . 5.44 1678 1067 A 75 TYR HBy A 71 LEU HD1% 1.0 . 5.44 1679 1067 A 75 TYR HBy A 71 LEU HD2% 1.0 . 5.44 1680 1068 A 75 TYR HD% A 71 LEU HD1% 1.0 . 4.99 1681 1068 A 75 TYR HD% A 71 LEU HD2% 1.0 . 4.99 1682 1069 A 75 TYR HE% A 71 LEU HD1% 1.0 . 4.14 1683 1069 A 75 TYR HE% A 71 LEU HD2% 1.0 . 4.14 1684 1070 A 71 LEU HD1% A 83 TRP HBx 1.0 . 5.28 1685 1070 A 71 LEU HD2% A 83 TRP HBx 1.0 . 5.28 1686 1070 A 83 TRP HBy A 71 LEU HD1% 1.0 . 5.28 1687 1070 A 83 TRP HBy A 71 LEU HD2% 1.0 . 5.28 1688 1071 A 72 ARG H A 72 ARG HBy 1.0 . 3.05 1689 1071 A 72 ARG H A 72 ARG HBx 1.0 . 3.05 1690 1072 A 72 ARG HA A 72 ARG HBy 1.0 . 2.56 1691 1072 A 72 ARG HA A 72 ARG HBx 1.0 . 2.56 1692 1073 A 73 GLU H A 74 LEU HD1% 1.0 . 5.44 1693 1073 A 73 GLU H A 74 LEU HD2% 1.0 . 5.44 1694 1074 A 73 GLU HB3 A 86 LEU HD1% 1.0 . 2.95 1695 1074 A 73 GLU HBx A 86 LEU HD1% 1.0 . 2.95 1696 1074 A 86 LEU HD2% A 73 GLU HBx 1.0 . 2.95 1697 1074 A 73 GLU HB3 A 86 LEU HD2% 1.0 . 2.95 1698 1075 A 73 GLU HG3 A 86 LEU HD1% 1.0 . 3.30 1699 1075 A 73 GLU HGx A 86 LEU HD1% 1.0 . 3.30 1700 1075 A 86 LEU HD2% A 73 GLU HGx 1.0 . 3.30 1701 1075 A 73 GLU HG3 A 86 LEU HD2% 1.0 . 3.30 1702 1076 A 74 LEU H A 74 LEU HBx 1.0 . 3.29 1703 1076 A 74 LEU H A 74 LEU HBy 1.0 . 3.29 1704 1077 A 74 LEU H A 74 LEU HD1% 1.0 . 4.64 1705 1077 A 74 LEU H A 74 LEU HD2% 1.0 . 4.64 1706 1078 A 74 LEU HA A 74 LEU HD1% 1.0 . 3.31 1707 1078 A 74 LEU HA A 74 LEU HD2% 1.0 . 3.31 1708 1079 A 74 LEU HA A 86 LEU HD1% 1.0 . 3.77 1709 1079 A 74 LEU HA A 86 LEU HD2% 1.0 . 3.77 1710 1080 A 75 TYR H A 74 LEU HBx 1.0 . 3.75 1711 1080 A 75 TYR H A 74 LEU HBy 1.0 . 3.75 1712 1081 A 83 TRP HE1 A 74 LEU HBx 1.0 . 4.35 1713 1081 A 83 TRP HE1 A 74 LEU HBy 1.0 . 4.35 1714 1082 A 83 TRP HZ2 A 74 LEU HBx 1.0 . 4.88 1715 1082 A 83 TRP HZ2 A 74 LEU HBy 1.0 . 4.88 1716 1083 A 75 TYR H A 74 LEU HD1% 1.0 . 5.44 1717 1083 A 75 TYR H A 74 LEU HD2% 1.0 . 5.44 1718 1084 A 75 TYR HE% A 74 LEU HD1% 1.0 . 5.44 1719 1084 A 75 TYR HE% A 74 LEU HD2% 1.0 . 5.44 1720 1085 A 83 TRP HD1 A 74 LEU HD1% 1.0 . 5.44 1721 1085 A 83 TRP HD1 A 74 LEU HD2% 1.0 . 5.44 1722 1086 A 83 TRP HE1 A 74 LEU HD1% 1.0 . 4.48 1723 1086 A 83 TRP HE1 A 74 LEU HD2% 1.0 . 4.48 1724 1087 A 74 LEU HD1% A 86 LEU HD1% 1.0 . 3.62 1725 1087 A 74 LEU HD2% A 86 LEU HD1% 1.0 . 3.62 1726 1087 A 86 LEU HD2% A 74 LEU HD1% 1.0 . 3.62 1727 1087 A 74 LEU HD2% A 86 LEU HD2% 1.0 . 3.62 1728 1088 A 79 THR HG2% A 78 PRO HBy 1.0 . 5.34 1729 1088 A 79 THR HG2% A 78 PRO HBx 1.0 . 5.34 1730 1089 A 80 LEU H A 80 LEU HBx 1.0 . 3.53 1731 1089 A 80 LEU H A 80 LEU HBy 1.0 . 3.53 1732 1090 A 80 LEU H A 80 LEU HD1% 1.0 . 5.41 1733 1090 A 80 LEU H A 80 LEU HD2% 1.0 . 5.41 1734 1091 A 80 LEU HA A 80 LEU HD1% 1.0 . 3.15 1735 1091 A 80 LEU HA A 80 LEU HD2% 1.0 . 3.15 1736 1092 A 80 LEU HA A 83 TRP HBx 1.0 . 4.66 1737 1092 A 80 LEU HA A 83 TRP HBy 1.0 . 4.66 1738 1093 A 80 LEU HBy A 80 LEU HD1% 1.0 . 2.32 1739 1093 A 80 LEU HBx A 80 LEU HD1% 1.0 . 2.32 1740 1093 A 80 LEU HD2% A 80 LEU HBx 1.0 . 2.32 1741 1093 A 80 LEU HBy A 80 LEU HD2% 1.0 . 2.32 1742 1094 A 81 ALA H A 80 LEU HBx 1.0 . 3.92 1743 1094 A 81 ALA H A 80 LEU HBy 1.0 . 3.92 1744 1095 A 83 TRP HD1 A 80 LEU HBx 1.0 . 5.34 1745 1095 A 83 TRP HD1 A 80 LEU HBy 1.0 . 5.34 1746 1096 A 83 TRP HE3 A 80 LEU HD1% 1.0 . 5.21 1747 1096 A 83 TRP HE3 A 80 LEU HD2% 1.0 . 5.21 1748 1097 A 81 ALA HA A 84 ASN HBx 1.0 . 3.80 1749 1097 A 81 ALA HA A 84 ASN HBy 1.0 . 3.80 1750 1098 A 82 ALA HB% A 86 LEU HD1% 1.0 . 2.89 1751 1098 A 82 ALA HB% A 86 LEU HD2% 1.0 . 2.89 1752 1099 A 83 TRP H A 83 TRP HBx 1.0 . 3.57 1753 1099 A 83 TRP H A 83 TRP HBy 1.0 . 3.57 1754 1100 A 83 TRP HA A 86 LEU HD1% 1.0 . 3.86 1755 1100 A 83 TRP HA A 86 LEU HD2% 1.0 . 3.86 1756 1101 A 84 ASN H A 83 TRP HBx 1.0 . 4.17 1757 1101 A 84 ASN H A 83 TRP HBy 1.0 . 4.17 1758 1102 A 83 TRP HD1 A 86 LEU HD1% 1.0 . 4.63 1759 1102 A 83 TRP HD1 A 86 LEU HD2% 1.0 . 4.63 1760 1103 A 83 TRP HE1 A 86 LEU HD1% 1.0 . 5.44 1761 1103 A 83 TRP HE1 A 86 LEU HD2% 1.0 . 5.44 1762 1104 A 85 GLN H A 84 ASN HBx 1.0 . 3.86 1763 1104 A 85 GLN H A 84 ASN HBy 1.0 . 3.86 1764 1105 A 86 LEU H A 84 ASN HBx 1.0 . 5.34 1765 1105 A 86 LEU H A 84 ASN HBy 1.0 . 5.34 1766 1106 A 85 GLN HA A 88 LEU HBy 1.0 . 2.97 1767 1106 A 85 GLN HA A 88 LEU HBx 1.0 . 2.97 1768 1107 A 85 GLN HA A 88 LEU HD1% 1.0 . 3.93 1769 1107 A 85 GLN HA A 88 LEU HD2% 1.0 . 3.93 1770 1108 A 85 GLN HBy A 88 LEU HBy 1.0 . 4.45 1771 1108 A 85 GLN HB2 A 88 LEU HBy 1.0 . 4.45 1772 1108 A 88 LEU HBx A 85 GLN HB2 1.0 . 4.45 1773 1108 A 85 GLN HBy A 88 LEU HBx 1.0 . 4.45 1774 1109 A 85 GLN HG3 A 88 LEU HD1% 1.0 . 5.44 1775 1109 A 85 GLN HGx A 88 LEU HD1% 1.0 . 5.44 1776 1109 A 88 LEU HD2% A 85 GLN HGx 1.0 . 5.44 1777 1109 A 85 GLN HG3 A 88 LEU HD2% 1.0 . 5.44 1778 1110 A 86 LEU H A 86 LEU HBx 1.0 . 3.12 1779 1110 A 86 LEU H A 86 LEU HBy 1.0 . 3.12 1780 1111 A 86 LEU HA A 86 LEU HBx 1.0 . 2.60 1781 1111 A 86 LEU HA A 86 LEU HBy 1.0 . 2.60 1782 1112 A 86 LEU HA A 86 LEU HD1% 1.0 . 3.10 1783 1112 A 86 LEU HA A 86 LEU HD2% 1.0 . 3.10 1784 1113 A 86 LEU HBy A 86 LEU HD1% 1.0 . 2.57 1785 1113 A 86 LEU HD2% A 86 LEU HBx 1.0 . 2.57 1786 1113 A 86 LEU HBy A 86 LEU HD2% 1.0 . 2.57 1787 1113 A 86 LEU HBx A 86 LEU HD1% 1.0 . 2.57 1788 1114 A 87 MET H A 86 LEU HBx 1.0 . 3.89 1789 1114 A 87 MET H A 86 LEU HBy 1.0 . 3.89 1790 1115 A 87 MET H A 87 MET HBy 1.0 . 3.51 1791 1115 A 87 MET H A 87 MET HBx 1.0 . 3.51 1792 1116 A 88 LEU H A 87 MET HBy 1.0 . 4.12 1793 1116 A 88 LEU H A 87 MET HBx 1.0 . 4.12 1794 1117 A 88 LEU H A 88 LEU HBy 1.0 . 3.20 1795 1117 A 88 LEU H A 88 LEU HBx 1.0 . 3.20 1796 1118 A 88 LEU H A 88 LEU HD1% 1.0 . 4.26 1797 1118 A 88 LEU H A 88 LEU HD2% 1.0 . 4.26 1798 1119 A 88 LEU HA A 88 LEU HD1% 1.0 . 2.82 1799 1119 A 88 LEU HA A 88 LEU HD2% 1.0 . 2.82 1800 1120 A 88 LEU HG A 88 LEU HBy 1.0 . 2.36 1801 1120 A 88 LEU HG A 88 LEU HBx 1.0 . 2.36 1802 1121 A 88 LEU HBy A 88 LEU HD1% 1.0 . 2.56 1803 1121 A 88 LEU HBx A 88 LEU HD1% 1.0 . 2.56 1804 1121 A 88 LEU HD2% A 88 LEU HBy 1.0 . 2.56 1805 1121 A 88 LEU HD2% A 88 LEU HBx 1.0 . 2.56 1806 1122 A 89 SER H A 88 LEU HBy 1.0 . 3.95 1807 1122 A 89 SER H A 88 LEU HBx 1.0 . 3.95 1808 1123 A 89 SER H A 89 SER HBy 1.0 . 3.40 1809 1123 A 89 SER H A 89 SER HBx 1.0 . 3.40 1810 1124 A 90 ARG H A 89 SER HBy 1.0 . 4.23 1811 1124 A 90 ARG H A 89 SER HBx 1.0 . 4.23 1812 1125 A 90 ARG H A 90 ARG HBx 1.0 . 3.55 1813 1125 A 90 ARG H A 90 ARG HBy 1.0 . 3.55 1814 1126 A 90 ARG H A 90 ARG HGx 1.0 . 3.76 1815 1126 A 90 ARG H A 90 ARG HGy 1.0 . 3.76 1816 1127 A 93 GLU H A 92 PRO HGx 1.0 . 5.03 1817 1127 A 93 GLU H A 92 PRO HGy 1.0 . 5.03 1818 1128 A 93 GLU H A 93 GLU HGx 1.0 . 4.08 1819 1128 A 93 GLU H A 93 GLU HGy 1.0 . 4.08 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 15 ASN C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -110.0 -34.0 PHI 2 2 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 HIS N 1.0 -74.0 18.0 PSI 3 3 A 16 ARG C A 17 HIS N A 17 HIS CA A 17 HIS C 1.0 -77.0 -37.0 PHI 4 4 A 17 HIS N A 17 HIS CA A 17 HIS C A 18 ALA N 1.0 -62.0 -22.0 PSI 5 5 A 17 HIS C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -82.0 -42.0 PHI 6 6 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 ALA N 1.0 -59.0 -19.0 PSI 7 7 A 18 ALA C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -83.0 -43.0 PHI 8 8 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 ASP N 1.0 -62.0 -22.0 PSI 9 9 A 19 ALA C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -85.0 -45.0 PHI 10 10 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 TYR N 1.0 -58.0 -18.0 PSI 11 11 A 20 ASP C A 21 TYR N A 21 TYR CA A 21 TYR C 1.0 -85.0 -45.0 PHI 12 12 A 21 TYR N A 21 TYR CA A 21 TYR C A 22 GLN N 1.0 -63.0 -23.0 PSI 13 13 A 21 TYR C A 22 GLN N A 22 GLN CA A 22 GLN C 1.0 -85.0 -45.0 PHI 14 14 A 22 GLN N A 22 GLN CA A 22 GLN C A 23 GLN N 1.0 -62.0 -22.0 PSI 15 15 A 22 GLN C A 23 GLN N A 23 GLN CA A 23 GLN C 1.0 -84.0 -44.0 PHI 16 16 A 23 GLN N A 23 GLN CA A 23 GLN C A 24 LEU N 1.0 -64.0 -20.0 PSI 17 17 A 23 GLN C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -83.0 -43.0 PHI 18 18 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 ARG N 1.0 -63.0 -23.0 PSI 19 19 A 24 LEU C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -83.0 -43.0 PHI 20 20 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 GLU N 1.0 -64.0 -24.0 PSI 21 21 A 25 ARG C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -81.0 -41.0 PHI 22 22 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 ARG N 1.0 -62.0 -22.0 PSI 23 23 A 26 GLU C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -86.0 -46.0 PHI 24 24 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 LEU N 1.0 -58.0 -18.0 PSI 25 25 A 27 ARG C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -84.0 -44.0 PHI 26 26 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 ILE N 1.0 -66.0 -26.0 PSI 27 27 A 28 LEU C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -81.0 -41.0 PHI 28 28 A 29 ILE N A 29 ILE CA A 29 ILE C A 30 GLN N 1.0 -65.0 -25.0 PSI 29 29 A 29 ILE C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -84.0 -44.0 PHI 30 30 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 GLU N 1.0 -60.0 -20.0 PSI 31 31 A 30 GLN C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -85.0 -45.0 PHI 32 32 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 LEU N 1.0 -53.0 -13.0 PSI 33 33 A 31 GLU C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -121.0 -73.0 PHI 34 34 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 ASN N 1.0 -18.0 22.0 PSI 35 35 A 32 LEU C A 33 ASN N A 33 ASN CA A 33 ASN C 1.0 37.0 81.0 PHI 36 36 A 33 ASN N A 33 ASN CA A 33 ASN C A 34 LEU N 1.0 22.0 74.0 PSI 37 37 A 33 ASN C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -176.0 -80.0 PHI 38 38 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 THR N 1.0 131.0 183.0 PSI 39 39 A 36 PRO N A 36 PRO CA A 36 PRO C A 37 GLN N 1.0 -42.0 -2.0 PSI 40 40 A 36 PRO C A 37 GLN N A 37 GLN CA A 37 GLN C 1.0 -98.0 -46.0 PHI 41 41 A 37 GLN N A 37 GLN CA A 37 GLN C A 38 GLN N 1.0 -48.0 4.0 PSI 42 42 A 37 GLN C A 38 GLN N A 38 GLN CA A 38 GLN C 1.0 -129.0 -77.0 PHI 43 43 A 38 GLN N A 38 GLN CA A 38 GLN C A 39 LEU N 1.0 -48.0 32.0 PSI 44 44 A 38 GLN C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -173.0 -45.0 PHI 45 45 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 HIS N 1.0 66.0 182.0 PSI 46 46 A 39 LEU C A 40 HIS N A 40 HIS CA A 40 HIS C 1.0 -142.0 -74.0 PHI 47 47 A 40 HIS N A 40 HIS CA A 40 HIS C A 41 GLU N 1.0 108.0 164.0 PSI 48 48 A 40 HIS C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -83.0 -43.0 PHI 49 49 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 GLU N 1.0 -63.0 5.0 PSI 50 50 A 41 GLU C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -121.0 -81.0 PHI 51 51 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 SER N 1.0 -16.0 24.0 PSI 52 52 A 42 GLU C A 43 SER N A 43 SER CA A 43 SER C 1.0 -135.0 -39.0 PHI 53 53 A 43 SER N A 43 SER CA A 43 SER C A 44 ASN N 1.0 111.0 171.0 PSI 54 54 A 43 SER C A 44 ASN N A 44 ASN CA A 44 ASN C 1.0 -130.0 -46.0 PHI 55 55 A 44 ASN N A 44 ASN CA A 44 ASN C A 45 LEU N 1.0 87.0 151.0 PSI 56 56 A 44 ASN C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -79.0 -39.0 PHI 57 57 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 ILE N 1.0 -52.0 -8.0 PSI 58 58 A 45 LEU C A 46 ILE N A 46 ILE CA A 46 ILE C 1.0 -89.0 -41.0 PHI 59 59 A 46 ILE N A 46 ILE CA A 46 ILE C A 47 GLN N 1.0 -58.0 2.0 PSI 60 60 A 46 ILE C A 47 GLN N A 47 GLN CA A 47 GLN C 1.0 -94.0 -46.0 PHI 61 61 A 47 GLN N A 47 GLN CA A 47 GLN C A 48 ALA N 1.0 -51.0 -11.0 PSI 62 62 A 49 GLY C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -172.0 -48.0 PHI 63 63 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 ASP N 1.0 90.0 174.0 PSI 64 64 A 50 LEU C A 51 ASP N A 51 ASP CA A 51 ASP C 1.0 -166.0 -50.0 PHI 65 65 A 51 ASP N A 51 ASP CA A 51 ASP C A 52 SER N 1.0 90.0 218.0 PSI 66 66 A 51 ASP C A 52 SER N A 52 SER CA A 52 SER C 1.0 -78.0 -38.0 PHI 67 67 A 52 SER N A 52 SER CA A 52 SER C A 53 ILE N 1.0 -55.0 -15.0 PSI 68 68 A 52 SER C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -86.0 -46.0 PHI 69 69 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 ARG N 1.0 -59.0 -19.0 PSI 70 70 A 53 ILE C A 54 ARG N A 54 ARG CA A 54 ARG C 1.0 -81.0 -41.0 PHI 71 71 A 54 ARG N A 54 ARG CA A 54 ARG C A 55 LEU N 1.0 -61.0 -21.0 PSI 72 72 A 54 ARG C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -82.0 -42.0 PHI 73 73 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 MET N 1.0 -57.0 -17.0 PSI 74 74 A 55 LEU C A 56 MET N A 56 MET CA A 56 MET C 1.0 -85.0 -45.0 PHI 75 75 A 56 MET N A 56 MET CA A 56 MET C A 57 ARG N 1.0 -59.0 -19.0 PSI 76 76 A 56 MET C A 57 ARG N A 57 ARG CA A 57 ARG C 1.0 -82.0 -42.0 PHI 77 77 A 57 ARG N A 57 ARG CA A 57 ARG C A 58 TRP N 1.0 -62.0 -22.0 PSI 78 78 A 57 ARG C A 58 TRP N A 58 TRP CA A 58 TRP C 1.0 -83.0 -43.0 PHI 79 79 A 58 TRP N A 58 TRP CA A 58 TRP C A 59 LEU N 1.0 -59.0 -19.0 PSI 80 80 A 58 TRP C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -84.0 -44.0 PHI 81 81 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 HIS N 1.0 -62.0 -22.0 PSI 82 82 A 59 LEU C A 60 HIS N A 60 HIS CA A 60 HIS C 1.0 -81.0 -41.0 PHI 83 83 A 60 HIS N A 60 HIS CA A 60 HIS C A 61 TRP N 1.0 -58.0 -18.0 PSI 84 84 A 60 HIS C A 61 TRP N A 61 TRP CA A 61 TRP C 1.0 -83.0 -43.0 PHI 85 85 A 61 TRP N A 61 TRP CA A 61 TRP C A 62 PHE N 1.0 -64.0 -24.0 PSI 86 86 A 61 TRP C A 62 PHE N A 62 PHE CA A 62 PHE C 1.0 -82.0 -42.0 PHI 87 87 A 62 PHE N A 62 PHE CA A 62 PHE C A 63 ARG N 1.0 -61.0 -21.0 PSI 88 88 A 62 PHE C A 63 ARG N A 63 ARG CA A 63 ARG C 1.0 -86.0 -46.0 PHI 89 89 A 63 ARG N A 63 ARG CA A 63 ARG C A 64 LYS N 1.0 -55.0 -15.0 PSI 90 90 A 63 ARG C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -82.0 -42.0 PHI 91 91 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 ASN N 1.0 -50.0 -10.0 PSI 92 92 A 64 LYS C A 65 ASN N A 65 ASN CA A 65 ASN C 1.0 -114.0 -70.0 PHI 93 93 A 65 ASN N A 65 ASN CA A 65 ASN C A 66 GLY N 1.0 -11.0 29.0 PSI 94 94 A 65 ASN C A 66 GLY N A 66 GLY CA A 66 GLY C 1.0 40.0 116.0 PHI 95 95 A 66 GLY N A 66 GLY CA A 66 GLY C A 67 TYR N 1.0 -23.0 61.0 PSI 96 96 A 66 GLY C A 67 TYR N A 67 TYR CA A 67 TYR C 1.0 -126.0 -58.0 PHI 97 97 A 67 TYR N A 67 TYR CA A 67 TYR C A 68 ARG N 1.0 99.0 167.0 PSI 98 98 A 67 TYR C A 68 ARG N A 68 ARG CA A 68 ARG C 1.0 -153.0 -57.0 PHI 99 99 A 68 ARG N A 68 ARG CA A 68 ARG C A 69 LEU N 1.0 59.0 179.0 PSI 100 100 A 68 ARG C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -167.0 -91.0 PHI 101 101 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 THR N 1.0 130.0 178.0 PSI 102 102 A 69 LEU C A 70 THR N A 70 THR CA A 70 THR C 1.0 -165.0 -61.0 PHI 103 103 A 70 THR N A 70 THR CA A 70 THR C A 71 LEU N 1.0 143.0 183.0 PSI 104 104 A 70 THR C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -79.0 -39.0 PHI 105 105 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 ARG N 1.0 -65.0 -25.0 PSI 106 106 A 71 LEU C A 72 ARG N A 72 ARG CA A 72 ARG C 1.0 -82.0 -42.0 PHI 107 107 A 72 ARG N A 72 ARG CA A 72 ARG C A 73 GLU N 1.0 -63.0 -15.0 PSI 108 108 A 72 ARG C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -86.0 -46.0 PHI 109 109 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 LEU N 1.0 -57.0 -17.0 PSI 110 110 A 73 GLU C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -91.0 -51.0 PHI 111 111 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 TYR N 1.0 -58.0 -18.0 PSI 112 112 A 74 LEU C A 75 TYR N A 75 TYR CA A 75 TYR C 1.0 -116.0 -44.0 PHI 113 113 A 75 TYR N A 75 TYR CA A 75 TYR C A 76 ALA N 1.0 -59.0 9.0 PSI 114 114 A 75 TYR C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -100.0 -60.0 PHI 115 115 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 ALA N 1.0 -63.0 17.0 PSI 116 116 A 76 ALA C A 77 ALA N A 77 ALA CA A 77 ALA C 1.0 -156.0 -84.0 PHI 117 117 A 77 ALA N A 77 ALA CA A 77 ALA C A 78 PRO N 1.0 41.0 173.0 PSI 118 118 A 78 PRO N A 78 PRO CA A 78 PRO C A 79 THR N 1.0 89.0 197.0 PSI 119 119 A 78 PRO C A 79 THR N A 79 THR CA A 79 THR C 1.0 -178.2 -52.9 PHI 120 120 A 79 THR N A 79 THR CA A 79 THR C A 80 LEU N 1.0 132.8 187.5 PSI 121 121 A 79 THR C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -76.2 -36.2 PHI 122 122 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 ALA N 1.0 -65.5 -25.5 PSI 123 123 A 80 LEU C A 81 ALA N A 81 ALA CA A 81 ALA C 1.0 -84.9 -44.9 PHI 124 124 A 81 ALA N A 81 ALA CA A 81 ALA C A 82 ALA N 1.0 -57.8 -17.8 PSI 125 125 A 81 ALA C A 82 ALA N A 82 ALA CA A 82 ALA C 1.0 -88.9 -48.9 PHI 126 126 A 82 ALA N A 82 ALA CA A 82 ALA C A 83 TRP N 1.0 -55.7 -15.7 PSI 127 127 A 82 ALA C A 83 TRP N A 83 TRP CA A 83 TRP C 1.0 -103.7 -35.2 PHI 128 128 A 83 TRP N A 83 TRP CA A 83 TRP C A 84 ASN N 1.0 -60.4 -16.9 PSI 129 129 A 83 TRP C A 84 ASN N A 84 ASN CA A 84 ASN C 1.0 -83.7 -43.7 PHI 130 130 A 84 ASN N A 84 ASN CA A 84 ASN C A 85 GLN N 1.0 -62.1 -22.1 PSI 131 131 A 84 ASN C A 85 GLN N A 85 GLN CA A 85 GLN C 1.0 -83.6 -43.6 PHI 132 132 A 85 GLN N A 85 GLN CA A 85 GLN C A 86 LEU N 1.0 -57.6 -17.6 PSI 133 133 A 85 GLN C A 86 LEU N A 86 LEU CA A 86 LEU C 1.0 -84.6 -44.6 PHI 134 134 A 86 LEU N A 86 LEU CA A 86 LEU C A 87 MET N 1.0 -62.3 -19.3 PSI 135 135 A 86 LEU C A 87 MET N A 87 MET CA A 87 MET C 1.0 -81.9 -41.9 PHI 136 136 A 87 MET N A 87 MET CA A 87 MET C A 88 LEU N 1.0 -60.6 -20.6 PSI 137 137 A 87 MET C A 88 LEU N A 88 LEU CA A 88 LEU C 1.0 -122.7 -26.3 PHI 138 138 A 88 LEU N A 88 LEU CA A 88 LEU C A 89 SER N 1.0 -59.5 -12.4 PSI 139 139 A 88 LEU C A 89 SER N A 89 SER CA A 89 SER C 1.0 -108.6 -64.0 PHI 140 140 A 89 SER N A 89 SER CA A 89 SER C A 90 ARG N 1.0 -42.2 24.1 PSI 141 141 A 92 PRO N A 92 PRO CA A 92 PRO C A 93 GLU N 1.0 119.0 167.0 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 13 'not observed' 2 ppm 1H 16.019154 'not observed' 3 ppm 13C 50.0003 folded stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 16.019154 'not observed' 2 ppm 1H 13 'not observed' 3 ppm 15N 26 folded stop_ save_