data_nef_c30398_6c8u 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6C8U 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 1 -3 MET start . . 2 1 -2 HIS middle . . 3 1 -1 HIS middle . . 4 1 0 HIS middle . . 5 1 1 HIS middle . . 6 1 2 HIS middle . . 7 1 3 HIS middle . . 8 1 4 SER middle . . 9 1 5 THR middle . . 10 1 6 SER middle . . 11 1 7 VAL middle . . 12 1 8 ASP middle . . 13 1 9 LEU middle . . 14 1 10 GLY middle . false 15 1 11 THR middle . . 16 1 12 GLU middle . . 17 1 13 ASN middle . . 18 1 14 LEU middle . . 19 1 15 TYR middle . . 20 1 16 PHE middle . . 21 1 17 GLN middle . . 22 1 18 SER middle . . 23 1 19 ASN middle . . 24 1 20 ALA middle . . 25 1 21 GLY middle . false 26 1 22 LYS middle . . 27 1 23 MET middle . . 28 1 24 PHE middle . . 29 1 25 ILE middle . . 30 1 26 GLY middle . false 31 1 27 GLY middle . false 32 1 28 LEU middle . . 33 1 29 SER middle . . 34 1 30 TRP middle . . 35 1 31 GLN middle . . 36 1 32 THR middle . . 37 1 33 SER middle . . 38 1 34 PRO middle . false 39 1 35 ASP middle . . 40 1 36 SER middle . . 41 1 37 LEU middle . . 42 1 38 ARG middle . . 43 1 39 ASP middle . . 44 1 40 TYR middle . . 45 1 41 PHE middle . . 46 1 42 SER middle . . 47 1 43 LYS middle . . 48 1 44 PHE middle . . 49 1 45 GLY middle . false 50 1 46 GLU middle . . 51 1 47 ILE middle . . 52 1 48 ARG middle . . 53 1 49 GLU middle . . 54 1 50 CYS middle . . 55 1 51 MET middle . . 56 1 52 VAL middle . . 57 1 53 MET middle . . 58 1 54 ARG middle . . 59 1 55 ASP middle . . 60 1 56 PRO middle . false 61 1 57 THR middle . . 62 1 58 THR middle . . 63 1 59 LYS middle . . 64 1 60 ARG middle . . 65 1 61 SER middle . . 66 1 62 ARG middle . . 67 1 63 GLY middle . false 68 1 64 PHE middle . . 69 1 65 GLY middle . false 70 1 66 PHE middle . . 71 1 67 VAL middle . . 72 1 68 THR middle . . 73 1 69 PHE middle . . 74 1 70 ALA middle . . 75 1 71 ASP middle . . 76 1 72 PRO middle . false 77 1 73 ALA middle . . 78 1 74 SER middle . . 79 1 75 VAL middle . . 80 1 76 ASP middle . . 81 1 77 LYS middle . . 82 1 78 VAL middle . . 83 1 79 LEU middle . . 84 1 80 GLY middle . false 85 1 81 GLN middle . . 86 1 82 PRO middle . false 87 1 83 HIS middle . . 88 1 84 HIS middle . . 89 1 85 GLU middle . . 90 1 86 LEU middle . . 91 1 87 ASP middle . . 92 1 88 SER middle . . 93 1 89 LYS middle . . 94 1 90 THR middle . . 95 1 91 ILE middle . . 96 1 92 ASP middle . . 97 1 93 PRO middle . false 98 1 94 LYS middle . . 99 1 95 VAL middle . . 100 1 96 ALA middle . . 101 1 97 PHE middle . . 102 1 98 PRO middle . false 103 1 99 ARG middle . . 104 1 100 ARG middle . . 105 1 101 ALA middle . . 106 1 102 GLN middle . . 107 1 103 PRO middle . false 108 1 104 LYS middle . . 109 1 105 MET middle . . 110 1 106 VAL middle . . 111 1 107 THR middle . . 112 1 108 ARG middle . . 113 1 109 THR middle . . 114 1 110 LYS middle . . 115 1 111 LYS 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 1 4 SER HA H 1 4.40 0.03 1 4 SER HBx H 1 3.86 0.03 1 4 SER HBy H 1 3.86 0.03 1 4 SER C C 13 174.63 0.1 1 4 SER CA C 13 58.47 0.5 1 4 SER CB C 13 63.93 0.5 1 5 THR H H 1 8.28 0.03 1 5 THR HA H 1 4.67 0.03 1 5 THR HB H 1 3.84 0.03 1 5 THR HG2% H 1 1.22 0.03 1 5 THR C C 13 174.57 0.1 1 5 THR CA C 13 61.89 0.5 1 5 THR CB C 13 69.88 0.5 1 5 THR CG2 C 13 21.64 0.5 1 5 THR N N 15 115.61 0.25 1 6 SER H H 1 8.30 0.03 1 6 SER HA H 1 4.53 0.03 1 6 SER HBx H 1 3.85 0.03 1 6 SER HBy H 1 3.85 0.03 1 6 SER C C 13 174.52 0.1 1 6 SER CA C 13 58.41 0.5 1 6 SER CB C 13 63.86 0.5 1 6 SER N N 15 117.99 0.25 1 7 VAL H H 1 8.07 0.03 1 7 VAL HA H 1 4.13 0.03 1 7 VAL HB H 1 2.07 0.03 1 7 VAL HGx% H 1 0.93 0.03 1 7 VAL HGy% H 1 0.88 0.03 1 7 VAL C C 13 175.57 0.1 1 7 VAL CA C 13 62.22 0.5 1 7 VAL CB C 13 32.74 0.5 1 7 VAL CGy C 13 21.17 0.5 1 7 VAL CGx C 13 20.91 0.5 1 7 VAL N N 15 121.14 0.25 1 8 ASP H H 1 8.32 0.03 1 8 ASP HA H 1 4.64 0.03 1 8 ASP HBx H 1 2.58 0.03 1 8 ASP HBy H 1 2.75 0.03 1 8 ASP C C 13 176.20 0.1 1 8 ASP CA C 13 55.60 0.5 1 8 ASP CB C 13 41.22 0.5 1 8 ASP N N 15 123.66 0.25 1 9 LEU H H 1 8.32 0.03 1 9 LEU HA H 1 4.31 0.03 1 9 LEU HBy H 1 1.66 0.03 1 9 LEU HBx H 1 1.61 0.03 1 9 LEU HDx% H 1 0.82 0.03 1 9 LEU HDy% H 1 0.90 0.03 1 9 LEU HG H 1 1.62 0.03 1 9 LEU C C 13 178.13 0.1 1 9 LEU CA C 13 55.53 0.5 1 9 LEU CB C 13 42.33 0.5 1 9 LEU CDx C 13 23.36 0.5 1 9 LEU CDy C 13 25.23 0.5 1 9 LEU CG C 13 27.02 0.5 1 9 LEU N N 15 123.64 0.25 1 10 GLY H H 1 8.51 0.03 1 10 GLY HAx H 1 4.01 0.03 1 10 GLY HAy H 1 4.01 0.03 1 10 GLY C C 13 174.90 0.1 1 10 GLY CA C 13 45.72 0.5 1 10 GLY N N 15 109.06 0.25 1 11 THR H H 1 7.97 0.03 1 11 THR HA H 1 4.32 0.03 1 11 THR HB H 1 4.27 0.03 1 11 THR HG2% H 1 1.21 0.03 1 11 THR C C 13 175.11 0.1 1 11 THR CA C 13 62.45 0.5 1 11 THR CB C 13 69.35 0.5 1 11 THR CG2 C 13 21.29 0.5 1 11 THR N N 15 113.03 0.25 1 12 GLU H H 1 8.52 0.03 1 12 GLU HA H 1 4.25 0.03 1 12 GLU HBy H 1 2.04 0.03 1 12 GLU HBx H 1 1.96 0.03 1 12 GLU HGx H 1 2.27 0.03 1 12 GLU HGy H 1 2.27 0.03 1 12 GLU C C 13 176.47 0.1 1 12 GLU CA C 13 57.50 0.1 1 12 GLU CB C 13 29.80 0.1 1 12 GLU CG C 13 36.19 0.1 1 12 GLU N N 15 122.51 0.25 1 13 ASN H H 1 8.33 0.03 1 13 ASN HA H 1 4.62 0.03 1 13 ASN HBx H 1 2.71 0.03 1 13 ASN HBy H 1 2.71 0.03 1 13 ASN HD21 H 1 6.88 0.03 1 13 ASN HD22 H 1 7.57 0.03 1 13 ASN C C 13 175.53 0.1 1 13 ASN CA C 13 53.84 0.5 1 13 ASN CB C 13 38.73 0.5 1 13 ASN CG C 13 176.73 0.1 1 13 ASN N N 15 118.57 0.25 1 13 ASN ND2 N 15 112.96 0.25 1 14 LEU H H 1 8.00 0.03 1 14 LEU HA H 1 4.15 0.03 1 14 LEU HBy H 1 1.48 0.03 1 14 LEU HBx H 1 1.33 0.03 1 14 LEU HDx% H 1 0.84 0.03 1 14 LEU HDy% H 1 0.77 0.03 1 14 LEU HG H 1 1.64 0.03 1 14 LEU C C 13 177.43 0.1 1 14 LEU CA C 13 56.00 0.5 1 14 LEU CB C 13 42.05 0.5 1 14 LEU CDy C 13 24.93 0.5 1 14 LEU CDx C 13 23.54 0.5 1 14 LEU CG C 13 26.87 0.5 1 14 LEU N N 15 121.78 0.25 1 15 TYR H H 1 7.96 0.03 1 15 TYR HA H 1 4.53 0.03 1 15 TYR HBy H 1 2.90 0.03 1 15 TYR HBx H 1 2.84 0.03 1 15 TYR HDx H 1 6.93 0.03 1 15 TYR HDy H 1 6.93 0.03 1 15 TYR HEx H 1 7.20 0.03 1 15 TYR HEy H 1 7.20 0.03 1 15 TYR C C 13 176.00 0.1 1 15 TYR CA C 13 58.59 0.5 1 15 TYR CB C 13 38.33 0.5 1 15 TYR N N 15 119.16 0.25 1 16 PHE H H 1 7.88 0.03 1 16 PHE HA H 1 4.47 0.03 1 16 PHE HBy H 1 3.14 0.03 1 16 PHE HBx H 1 2.94 0.03 1 16 PHE C C 13 175.81 0.1 1 16 PHE CA C 13 58.22 0.5 1 16 PHE CB C 13 39.34 0.5 1 16 PHE N N 15 119.78 0.25 1 17 GLN H H 1 8.11 0.03 1 17 GLN HA H 1 4.20 0.03 1 17 GLN HBx H 1 1.95 0.03 1 17 GLN HBy H 1 2.05 0.03 1 17 GLN HE21 H 1 6.84 0.03 1 17 GLN HE22 H 1 7.48 0.03 1 17 GLN HGx H 1 2.30 0.03 1 17 GLN HGy H 1 2.30 0.03 1 17 GLN C C 13 176.28 0.1 1 17 GLN CA C 13 56.24 0.5 1 17 GLN CB C 13 29.12 0.5 1 17 GLN CG C 13 33.12 0.5 1 17 GLN N N 15 120.80 0.25 1 17 GLN NE2 N 15 112.38 0.25 1 18 SER C C 13 174.58 0.1 1 18 SER CA C 13 58.99 0.5 1 18 SER CB C 13 63.93 0.5 1 19 ASN H H 1 8.19 0.03 1 19 ASN HA H 1 4.72 0.03 1 19 ASN HBx H 1 2.77 0.03 1 19 ASN HBy H 1 2.77 0.03 1 19 ASN HD21 H 1 6.77 0.03 1 19 ASN HD22 H 1 7.36 0.03 1 19 ASN C C 13 175.28 0.1 1 19 ASN CA C 13 53.46 0.5 1 19 ASN CB C 13 39.47 0.5 1 19 ASN CG C 13 176.58 0.1 1 19 ASN N N 15 119.93 0.25 1 19 ASN ND2 N 15 113.31 0.25 1 20 ALA H H 1 8.21 0.03 1 20 ALA HA H 1 4.22 0.03 1 20 ALA HB% H 1 1.40 0.03 1 20 ALA C C 13 178.07 0.1 1 20 ALA CA C 13 54.02 0.5 1 20 ALA CB C 13 18.66 0.5 1 20 ALA N N 15 124.18 0.25 1 21 GLY H H 1 8.85 0.03 1 21 GLY HAx H 1 4.02 0.03 1 21 GLY HAy H 1 4.02 0.03 1 21 GLY C C 13 172.74 0.1 1 21 GLY CA C 13 45.25 0.5 1 21 GLY N N 15 106.27 0.25 1 22 LYS H H 1 7.67 0.03 1 22 LYS HA H 1 5.07 0.03 1 22 LYS HBx H 1 1.69 0.03 1 22 LYS HBy H 1 1.96 0.03 1 22 LYS HDx H 1 1.45 0.03 1 22 LYS HDy H 1 1.45 0.03 1 22 LYS HEy H 1 2.48 0.03 1 22 LYS HEx H 1 2.44 0.03 1 22 LYS HGx H 1 1.17 0.03 1 22 LYS HGy H 1 1.17 0.03 1 22 LYS C C 13 175.71 0.1 1 22 LYS CA C 13 56.39 0.5 1 22 LYS CB C 13 34.65 0.5 1 22 LYS CD C 13 29.87 0.5 1 22 LYS CE C 13 41.81 0.5 1 22 LYS CG C 13 25.35 0.5 1 22 LYS N N 15 121.31 0.25 1 23 MET H H 1 9.54 0.03 1 23 MET HA H 1 5.03 0.03 1 23 MET HBy H 1 2.01 0.03 1 23 MET HBx H 1 1.64 0.03 1 23 MET HE% H 1 1.68 0.03 1 23 MET HGy H 1 2.58 0.03 1 23 MET HGx H 1 1.92 0.03 1 23 MET C C 13 174.53 0.1 1 23 MET CA C 13 55.50 0.5 1 23 MET CB C 13 37.02 0.5 1 23 MET CE C 13 18.10 0.5 1 23 MET CG C 13 33.59 0.5 1 23 MET N N 15 123.59 0.25 1 24 PHE H H 1 8.80 0.03 1 24 PHE HA H 1 4.56 0.03 1 24 PHE HBy H 1 2.74 0.03 1 24 PHE HBx H 1 2.60 0.03 1 24 PHE HDx H 1 6.92 0.03 1 24 PHE HDy H 1 6.92 0.03 1 24 PHE HEx H 1 6.90 0.03 1 24 PHE HEy H 1 6.90 0.03 1 24 PHE C C 13 173.51 0.1 1 24 PHE CA C 13 55.26 0.5 1 24 PHE CB C 13 41.07 0.5 1 24 PHE CDx C 13 131.60 0.5 1 24 PHE CDy C 13 131.60 0.5 1 24 PHE CEx C 13 130.50 0.5 1 24 PHE CEy C 13 130.50 0.5 1 24 PHE N N 15 124.50 0.25 1 25 ILE H H 1 8.37 0.03 1 25 ILE HA H 1 4.16 0.03 1 25 ILE HB H 1 1.57 0.03 1 25 ILE HD1% H 1 0.21 0.03 1 25 ILE HG12 H 1 0.89 0.03 1 25 ILE HG13 H 1 1.03 0.03 1 25 ILE HG2% H 1 0.69 0.03 1 25 ILE C C 13 174.00 0.1 1 25 ILE CA C 13 58.89 0.5 1 25 ILE CB C 13 36.99 0.5 1 25 ILE CD1 C 13 12.27 0.5 1 25 ILE CG1 C 13 27.01 0.5 1 25 ILE CG2 C 13 20.79 0.5 1 25 ILE N N 15 126.31 0.25 1 26 GLY H H 1 7.77 0.03 1 26 GLY HA2 H 1 4.50 0.03 1 26 GLY HA3 H 1 3.92 0.03 1 26 GLY C C 13 174.38 0.1 1 26 GLY CA C 13 43.83 0.5 1 26 GLY N N 15 112.65 0.25 1 27 GLY H H 1 8.57 0.03 1 27 GLY HAx H 1 3.82 0.03 1 27 GLY HAy H 1 4.03 0.03 1 27 GLY C C 13 174.81 0.1 1 27 GLY CA C 13 46.65 0.5 1 27 GLY N N 15 107.36 0.25 1 28 LEU H H 1 7.53 0.03 1 28 LEU HA H 1 4.11 0.03 1 28 LEU HBy H 1 1.25 0.03 1 28 LEU HBx H 1 1.08 0.03 1 28 LEU HD1% H 1 0.50 0.03 1 28 LEU HD2% H 1 0.65 0.03 1 28 LEU HG H 1 1.36 0.03 1 28 LEU C C 13 178.92 0.1 1 28 LEU CA C 13 54.23 0.5 1 28 LEU CB C 13 42.87 0.5 1 28 LEU CD1 C 13 26.48 0.5 1 28 LEU CD2 C 13 23.63 0.5 1 28 LEU CG C 13 27.02 0.5 1 28 LEU N N 15 114.44 0.25 1 29 SER H H 1 9.18 0.03 1 29 SER HA H 1 4.29 0.03 1 29 SER HB2 H 1 3.94 0.03 1 29 SER HB3 H 1 3.89 0.03 1 29 SER C C 13 177.41 0.1 1 29 SER CA C 13 57.81 0.5 1 29 SER CB C 13 63.03 0.5 1 29 SER N N 15 115.93 0.25 1 30 TRP H H 1 8.50 0.03 1 30 TRP HA H 1 4.40 0.03 1 30 TRP HBy H 1 3.49 0.03 1 30 TRP HBx H 1 3.35 0.03 1 30 TRP HD1 H 1 7.46 0.03 1 30 TRP HE1 H 1 10.23 0.03 1 30 TRP HE3 H 1 7.46 0.03 1 30 TRP HH2 H 1 7.24 0.03 1 30 TRP HZ2 H 1 7.49 0.03 1 30 TRP HZ3 H 1 7.49 0.03 1 30 TRP C C 13 176.42 0.1 1 30 TRP CA C 13 59.10 0.5 1 30 TRP CB C 13 27.89 0.5 1 30 TRP CD1 C 13 128.01 0.5 1 30 TRP CH2 C 13 124.64 0.5 1 30 TRP CZ2 C 13 114.77 0.5 1 30 TRP CZ3 C 13 120.28 0.5 1 30 TRP N N 15 128.47 0.25 1 30 TRP NE1 N 15 129.81 0.25 1 31 GLN H H 1 7.73 0.03 1 31 GLN HA H 1 3.93 0.03 1 31 GLN HBx H 1 1.48 0.03 1 31 GLN HBy H 1 1.48 0.03 1 31 GLN HE21 H 1 6.75 0.03 1 31 GLN HE22 H 1 7.11 0.03 1 31 GLN HGy H 1 1.53 0.03 1 31 GLN HGx H 1 1.41 0.03 1 31 GLN C C 13 176.79 0.1 1 31 GLN CA C 13 56.07 0.5 1 31 GLN CB C 13 28.88 0.5 1 31 GLN CD C 13 180.25 0.1 1 31 GLN CG C 13 33.21 0.5 1 31 GLN N N 15 116.42 0.25 1 31 GLN NE2 N 15 111.85 0.25 1 32 THR H H 1 7.38 0.03 1 32 THR HA H 1 4.07 0.03 1 32 THR HB H 1 3.94 0.03 1 32 THR HG2% H 1 1.16 0.03 1 32 THR C C 13 173.28 0.1 1 32 THR CA C 13 64.94 0.5 1 32 THR CB C 13 68.57 0.5 1 32 THR CG2 C 13 23.49 0.5 1 32 THR N N 15 118.99 0.25 1 33 SER H H 1 8.33 0.03 1 33 SER HA H 1 4.50 0.03 1 33 SER HB2 H 1 4.05 0.03 1 33 SER HB3 H 1 3.86 0.03 1 33 SER C C 13 176.40 0.1 1 33 SER CA C 13 58.52 0.5 1 33 SER CB C 13 61.97 0.5 1 33 SER N N 15 125.43 0.25 1 34 PRO HA H 1 4.04 0.03 1 34 PRO HBy H 1 2.28 0.03 1 34 PRO HBx H 1 2.06 0.03 1 34 PRO HDx H 1 3.65 0.03 1 34 PRO HDy H 1 3.65 0.03 1 34 PRO HGy H 1 2.37 0.03 1 34 PRO HGx H 1 2.02 0.03 1 34 PRO C C 13 177.66 0.1 1 34 PRO CA C 13 65.86 0.5 1 34 PRO CB C 13 31.26 0.5 1 34 PRO CD C 13 50.26 0.5 1 34 PRO CG C 13 28.94 0.5 1 35 ASP H H 1 7.83 0.03 1 35 ASP HA H 1 4.36 0.03 1 35 ASP HB2 H 1 2.54 0.03 1 35 ASP HB3 H 1 2.75 0.03 1 35 ASP C C 13 177.68 0.1 1 35 ASP CA C 13 57.43 0.5 1 35 ASP CB C 13 40.32 0.5 1 35 ASP N N 15 115.67 0.25 1 36 SER H H 1 7.98 0.03 1 36 SER HA H 1 4.36 0.03 1 36 SER HBx H 1 4.02 0.03 1 36 SER HBy H 1 4.16 0.03 1 36 SER C C 13 177.68 0.1 1 36 SER CA C 13 61.14 0.5 1 36 SER CB C 13 62.64 0.5 1 36 SER N N 15 117.72 0.25 1 37 LEU H H 1 8.05 0.03 1 37 LEU HA H 1 4.11 0.03 1 37 LEU HB2 H 1 1.70 0.03 1 37 LEU HB3 H 1 1.40 0.03 1 37 LEU HD1% H 1 0.65 0.03 1 37 LEU HD2% H 1 0.77 0.03 1 37 LEU HG H 1 0.79 0.03 1 37 LEU C C 13 177.88 0.1 1 37 LEU CA C 13 58.21 0.5 1 37 LEU CB C 13 43.18 0.5 1 37 LEU CD1 C 13 25.97 0.5 1 37 LEU CD2 C 13 26.04 0.5 1 37 LEU CG C 13 26.02 0.5 1 37 LEU N N 15 122.91 0.25 1 38 ARG H H 1 8.43 0.03 1 38 ARG HA H 1 3.86 0.03 1 38 ARG HBy H 1 2.17 0.03 1 38 ARG HBx H 1 2.02 0.03 1 38 ARG HDy H 1 3.30 0.03 1 38 ARG HDx H 1 3.23 0.03 1 38 ARG HE H 1 7.41 0.03 1 38 ARG HGy H 1 1.58 0.03 1 38 ARG HGx H 1 1.53 0.03 1 38 ARG C C 13 178.94 0.1 1 38 ARG CA C 13 59.78 0.5 1 38 ARG CB C 13 30.28 0.5 1 38 ARG CD C 13 43.31 0.5 1 38 ARG CG C 13 27.88 0.5 1 38 ARG N N 15 120.40 0.25 1 38 ARG NE N 15 83.75 0.25 1 39 ASP H H 1 8.44 0.03 1 39 ASP HA H 1 4.32 0.03 1 39 ASP HBy H 1 2.83 0.03 1 39 ASP HBx H 1 2.75 0.03 1 39 ASP C C 13 178.41 0.1 1 39 ASP CA C 13 57.65 0.5 1 39 ASP CB C 13 40.61 0.5 1 39 ASP N N 15 120.12 0.25 1 40 TYR H H 1 7.82 0.03 1 40 TYR HA H 1 4.15 0.03 1 40 TYR HB2 H 1 3.18 0.03 1 40 TYR HB3 H 1 2.77 0.03 1 40 TYR HDx H 1 6.16 0.03 1 40 TYR HDy H 1 6.16 0.03 1 40 TYR HEx H 1 6.64 0.03 1 40 TYR HEy H 1 6.64 0.03 1 40 TYR C C 13 177.72 0.1 1 40 TYR CA C 13 62.06 0.5 1 40 TYR CB C 13 39.66 0.5 1 40 TYR CDx C 13 132.70 0.5 1 40 TYR CDy C 13 132.70 0.5 1 40 TYR CEx C 13 117.76 0.5 1 40 TYR CEy C 13 117.76 0.5 1 40 TYR N N 15 118.55 0.25 1 41 PHE H H 1 8.50 0.03 1 41 PHE HA H 1 4.54 0.03 1 41 PHE HB2 H 1 3.48 0.03 1 41 PHE HB3 H 1 2.92 0.03 1 41 PHE HDx H 1 7.64 0.03 1 41 PHE HDy H 1 7.64 0.03 1 41 PHE HEx H 1 6.94 0.03 1 41 PHE HEy H 1 6.94 0.03 1 41 PHE HZ H 1 6.72 0.03 1 41 PHE C C 13 177.80 0.1 1 41 PHE CA C 13 63.48 0.5 1 41 PHE CB C 13 38.80 0.5 1 41 PHE CDx C 13 131.31 0.5 1 41 PHE CDy C 13 131.31 0.5 1 41 PHE CZ C 13 129.12 0.5 1 41 PHE N N 15 113.54 0.25 1 42 SER H H 1 8.71 0.03 1 42 SER HA H 1 4.97 0.03 1 42 SER HBx H 1 4.02 0.03 1 42 SER HBy H 1 4.14 0.03 1 42 SER C C 13 175.78 0.1 1 42 SER CA C 13 61.32 0.5 1 42 SER CB C 13 62.92 0.5 1 42 SER N N 15 117.43 0.25 1 43 LYS H H 1 7.11 0.03 1 43 LYS HA H 1 4.01 0.03 1 43 LYS HBy H 1 1.34 0.03 1 43 LYS HBx H 1 1.30 0.03 1 43 LYS HDx H 1 1.34 0.03 1 43 LYS HDy H 1 1.34 0.03 1 43 LYS HEx H 1 2.77 0.03 1 43 LYS HEy H 1 2.77 0.03 1 43 LYS HGy H 1 1.03 0.03 1 43 LYS HGx H 1 0.79 0.03 1 43 LYS C C 13 177.32 0.1 1 43 LYS CA C 13 58.01 0.5 1 43 LYS CB C 13 31.25 0.5 1 43 LYS CD C 13 28.78 0.5 1 43 LYS CE C 13 41.96 0.5 1 43 LYS CG C 13 23.71 0.5 1 43 LYS N N 15 119.99 0.25 1 44 PHE H H 1 8.05 0.03 1 44 PHE HA H 1 4.45 0.03 1 44 PHE HB2 H 1 3.15 0.03 1 44 PHE HB3 H 1 2.98 0.03 1 44 PHE HDx H 1 7.40 0.03 1 44 PHE HDy H 1 7.40 0.03 1 44 PHE HEx H 1 7.23 0.03 1 44 PHE HEy H 1 7.23 0.03 1 44 PHE HZ H 1 6.95 0.03 1 44 PHE C C 13 174.83 0.1 1 44 PHE CA C 13 58.40 0.5 1 44 PHE CB C 13 39.73 0.5 1 44 PHE CDx C 13 132.26 0.5 1 44 PHE CDy C 13 132.26 0.5 1 44 PHE CEx C 13 130.18 0.5 1 44 PHE CEy C 13 130.18 0.5 1 44 PHE N N 15 116.36 0.25 1 45 GLY H H 1 7.45 0.03 1 45 GLY HAy H 1 4.43 0.03 1 45 GLY HAx H 1 3.95 0.03 1 45 GLY C C 13 170.51 0.1 1 45 GLY CA C 13 44.69 0.5 1 45 GLY N N 15 106.73 0.25 1 46 GLU H H 1 8.06 0.03 1 46 GLU HA H 1 4.36 0.03 1 46 GLU HBy H 1 2.04 0.03 1 46 GLU HBx H 1 1.96 0.03 1 46 GLU HGy H 1 2.40 0.03 1 46 GLU HGx H 1 2.10 0.03 1 46 GLU C C 13 177.67 0.1 1 46 GLU CA C 13 57.06 0.1 1 46 GLU CB C 13 30.31 0.1 1 46 GLU CG C 13 36.13 0.1 1 46 GLU N N 15 117.25 0.25 1 47 ILE H H 1 9.12 0.03 1 47 ILE HA H 1 4.15 0.03 1 47 ILE HB H 1 1.78 0.03 1 47 ILE HD1% H 1 0.62 0.03 1 47 ILE HG1x H 1 0.82 0.03 1 47 ILE HG1y H 1 0.85 0.03 1 47 ILE HG2% H 1 0.63 0.03 1 47 ILE C C 13 175.84 0.1 1 47 ILE CA C 13 60.60 0.5 1 47 ILE CB C 13 39.61 0.5 1 47 ILE CD1 C 13 14.18 0.5 1 47 ILE CG1 C 13 27.76 0.5 1 47 ILE CG2 C 13 18.26 0.5 1 47 ILE N N 15 128.72 0.25 1 48 ARG H H 1 9.02 0.03 1 48 ARG HA H 1 4.49 0.03 1 48 ARG HBx H 1 1.46 0.03 1 48 ARG HBy H 1 1.70 0.03 1 48 ARG HDx H 1 3.05 0.03 1 48 ARG HDy H 1 3.18 0.03 1 48 ARG HE H 1 7.36 0.03 1 48 ARG HGx H 1 1.47 0.03 1 48 ARG HGy H 1 1.47 0.03 1 48 ARG C C 13 175.74 0.1 1 48 ARG CA C 13 56.84 0.5 1 48 ARG CB C 13 31.62 0.5 1 48 ARG CD C 13 43.13 0.5 1 48 ARG CG C 13 26.82 0.5 1 48 ARG N N 15 126.51 0.25 1 48 ARG NE N 15 83.87 0.25 1 49 GLU H H 1 7.46 0.03 1 49 GLU HA H 1 4.58 0.03 1 49 GLU HBx H 1 1.93 0.03 1 49 GLU HBy H 1 2.04 0.03 1 49 GLU HGx H 1 2.10 0.03 1 49 GLU HGy H 1 2.10 0.03 1 49 GLU C C 13 174.06 0.1 1 49 GLU CA C 13 55.42 0.5 1 49 GLU CB C 13 33.47 0.5 1 49 GLU CG C 13 36.35 0.5 1 49 GLU N N 15 116.12 0.25 1 50 CYS H H 1 8.77 0.03 1 50 CYS HA H 1 5.02 0.03 1 50 CYS HBx H 1 2.76 0.03 1 50 CYS HBy H 1 2.76 0.03 1 50 CYS C C 13 172.00 0.1 1 50 CYS CA C 13 58.05 0.5 1 50 CYS CB C 13 28.72 0.5 1 50 CYS N N 15 122.09 0.25 1 51 MET H H 1 8.73 0.03 1 51 MET HA H 1 5.03 0.03 1 51 MET HBy H 1 1.98 0.03 1 51 MET HBx H 1 1.92 0.03 1 51 MET HE% H 1 2.03 0.03 1 51 MET HGx H 1 2.45 0.03 1 51 MET HGy H 1 2.45 0.03 1 51 MET C C 13 173.45 0.1 1 51 MET CA C 13 54.66 0.5 1 51 MET CB C 13 35.94 0.5 1 51 MET CE C 13 17.17 0.5 1 51 MET CG C 13 31.44 0.5 1 51 MET N N 15 122.75 0.25 1 52 VAL H H 1 8.28 0.03 1 52 VAL HA H 1 4.00 0.03 1 52 VAL HB H 1 1.70 0.03 1 52 VAL HG1% H 1 0.57 0.03 1 52 VAL HG2% H 1 0.75 0.03 1 52 VAL C C 13 175.23 0.1 1 52 VAL CA C 13 62.35 0.5 1 52 VAL CB C 13 34.65 0.5 1 52 VAL CG1 C 13 21.47 0.5 1 52 VAL CG2 C 13 21.02 0.5 1 52 VAL N N 15 121.15 0.25 1 53 MET H H 1 8.28 0.03 1 53 MET HA H 1 4.50 0.03 1 53 MET HBx H 1 1.09 0.03 1 53 MET HBy H 1 1.52 0.03 1 53 MET HE% H 1 2.15 0.03 1 53 MET HGx H 1 2.25 0.03 1 53 MET HGy H 1 2.49 0.03 1 53 MET C C 13 175.13 0.1 1 53 MET CA C 13 54.83 0.5 1 53 MET CB C 13 30.70 0.5 1 53 MET CE C 13 17.25 0.5 1 53 MET CG C 13 33.21 0.5 1 53 MET N N 15 125.88 0.25 1 54 ARG H H 1 8.53 0.03 1 54 ARG HA H 1 4.83 0.03 1 54 ARG HBy H 1 1.51 0.03 1 54 ARG HBx H 1 1.36 0.03 1 54 ARG HDx H 1 3.10 0.03 1 54 ARG HDy H 1 3.10 0.03 1 54 ARG HGy H 1 1.49 0.03 1 54 ARG HGx H 1 1.32 0.03 1 54 ARG C C 13 175.68 0.1 1 54 ARG CA C 13 54.33 0.5 1 54 ARG CB C 13 33.46 0.5 1 54 ARG CD C 13 43.03 0.5 1 54 ARG CG C 13 27.27 0.5 1 54 ARG N N 15 121.68 0.25 1 55 ASP H H 1 8.66 0.03 1 55 ASP HA H 1 4.75 0.03 1 55 ASP HB2 H 1 2.57 0.03 1 55 ASP HB3 H 1 3.01 0.03 1 55 ASP C C 13 175.95 0.1 1 55 ASP CA C 13 51.99 0.5 1 55 ASP CB C 13 42.77 0.5 1 55 ASP N N 15 125.06 0.25 1 56 PRO HA H 1 4.50 0.03 1 56 PRO HBx H 1 2.18 0.03 1 56 PRO HBy H 1 2.29 0.03 1 56 PRO HDx H 1 3.93 0.03 1 56 PRO HDy H 1 4.05 0.03 1 56 PRO HGx H 1 1.88 0.03 1 56 PRO HGy H 1 1.92 0.03 1 56 PRO C C 13 177.57 0.1 1 56 PRO CA C 13 64.66 0.5 1 56 PRO CB C 13 32.14 0.5 1 56 PRO CD C 13 50.50 0.5 1 56 PRO CG C 13 27.35 0.5 1 57 THR H H 1 8.42 0.03 1 57 THR HA H 1 4.25 0.03 1 57 THR HB H 1 4.30 0.03 1 57 THR HG2% H 1 1.24 0.03 1 57 THR C C 13 176.01 0.1 1 57 THR CA C 13 64.94 0.5 1 57 THR CB C 13 68.74 0.5 1 57 THR CG2 C 13 21.24 0.5 1 57 THR N N 15 113.64 0.25 1 58 THR H H 1 8.19 0.03 1 58 THR HA H 1 4.27 0.03 1 58 THR HB H 1 4.31 0.03 1 58 THR HG2% H 1 1.20 0.03 1 58 THR C C 13 176.20 0.1 1 58 THR CA C 13 62.07 0.5 1 58 THR CB C 13 70.57 0.5 1 58 THR CG2 C 13 21.22 0.5 1 58 THR N N 15 111.37 0.25 1 59 LYS H H 1 8.15 0.03 1 59 LYS HA H 1 3.96 0.03 1 59 LYS HBy H 1 2.19 0.03 1 59 LYS HBx H 1 2.01 0.03 1 59 LYS HDx H 1 1.58 0.03 1 59 LYS HDy H 1 1.63 0.03 1 59 LYS HEx H 1 3.00 0.03 1 59 LYS HEy H 1 3.00 0.03 1 59 LYS HGx H 1 1.28 0.03 1 59 LYS HGy H 1 1.28 0.03 1 59 LYS C C 13 175.39 0.1 1 59 LYS CA C 13 57.81 0.5 1 59 LYS CB C 13 29.38 0.5 1 59 LYS CD C 13 28.89 0.5 1 59 LYS CE C 13 42.51 0.5 1 59 LYS CG C 13 25.21 0.5 1 59 LYS N N 15 115.43 0.25 1 60 ARG H H 1 7.90 0.03 1 60 ARG HA H 1 4.31 0.03 1 60 ARG HBx H 1 1.83 0.03 1 60 ARG HBy H 1 1.83 0.03 1 60 ARG HDx H 1 3.02 0.03 1 60 ARG HDy H 1 3.02 0.03 1 60 ARG HGx H 1 1.66 0.03 1 60 ARG HGy H 1 1.66 0.03 1 60 ARG C C 13 175.56 0.1 1 60 ARG CA C 13 55.99 0.5 1 60 ARG CB C 13 31.17 0.5 1 60 ARG CD C 13 43.38 0.5 1 60 ARG CG C 13 27.10 0.5 1 60 ARG N N 15 119.77 0.25 1 61 SER H H 1 8.92 0.03 1 61 SER HA H 1 4.50 0.03 1 61 SER HBx H 1 3.92 0.03 1 61 SER HBy H 1 3.92 0.03 1 61 SER C C 13 176.28 0.1 1 61 SER CA C 13 58.64 0.5 1 61 SER CB C 13 64.11 0.5 1 61 SER N N 15 116.93 0.25 1 62 ARG H H 1 9.04 0.03 1 62 ARG HA H 1 4.40 0.03 1 62 ARG HBy H 1 1.74 0.03 1 62 ARG HBx H 1 1.68 0.03 1 62 ARG HDx H 1 3.16 0.03 1 62 ARG HDy H 1 3.16 0.03 1 62 ARG HGy H 1 1.63 0.03 1 62 ARG HGx H 1 1.58 0.03 1 62 ARG C C 13 177.24 0.1 1 62 ARG CA C 13 56.11 0.5 1 62 ARG CB C 13 31.03 0.5 1 62 ARG CD C 13 43.43 0.5 1 62 ARG CG C 13 27.30 0.5 1 62 ARG N N 15 124.31 0.25 1 63 GLY H H 1 9.21 0.03 1 63 GLY HAx H 1 4.16 0.03 1 63 GLY HAy H 1 4.16 0.03 1 63 GLY C C 13 172.09 0.1 1 63 GLY CA C 13 45.61 0.5 1 63 GLY N N 15 107.25 0.25 1 64 PHE H H 1 7.09 0.03 1 64 PHE HA H 1 5.26 0.03 1 64 PHE HBy H 1 3.15 0.03 1 64 PHE HBx H 1 2.64 0.03 1 64 PHE HDx H 1 6.85 0.03 1 64 PHE HDy H 1 6.85 0.03 1 64 PHE HEx H 1 7.32 0.03 1 64 PHE HEy H 1 7.32 0.03 1 64 PHE HZ H 1 7.32 0.03 1 64 PHE C C 13 172.81 0.1 1 64 PHE CA C 13 54.96 0.5 1 64 PHE CB C 13 41.78 0.5 1 64 PHE CDx C 13 133.43 0.5 1 64 PHE CDy C 13 133.43 0.5 1 64 PHE CEx C 13 132.85 0.5 1 64 PHE CEy C 13 132.85 0.5 1 64 PHE N N 15 112.46 0.25 1 65 GLY H H 1 8.28 0.03 1 65 GLY HA2 H 1 4.18 0.03 1 65 GLY HA3 H 1 3.90 0.03 1 65 GLY C C 13 169.99 0.1 1 65 GLY CA C 13 45.00 0.5 1 65 GLY N N 15 106.56 0.25 1 66 PHE H H 1 8.66 0.03 1 66 PHE HA H 1 5.59 0.03 1 66 PHE HB2 H 1 2.93 0.03 1 66 PHE HB3 H 1 2.62 0.03 1 66 PHE HDx H 1 7.07 0.03 1 66 PHE HDy H 1 7.07 0.03 1 66 PHE HEx H 1 7.34 0.03 1 66 PHE HEy H 1 7.34 0.03 1 66 PHE C C 13 174.37 0.1 1 66 PHE CA C 13 56.67 0.5 1 66 PHE CB C 13 44.09 0.5 1 66 PHE CDx C 13 131.50 0.5 1 66 PHE CDy C 13 131.50 0.5 1 66 PHE N N 15 115.05 0.25 1 67 VAL H H 1 8.39 0.03 1 67 VAL HA H 1 4.39 0.03 1 67 VAL HB H 1 1.19 0.03 1 67 VAL HG1% H 1 0.08 0.03 1 67 VAL HG2% H 1 0.33 0.03 1 67 VAL C C 13 173.58 0.1 1 67 VAL CA C 13 60.37 0.5 1 67 VAL CB C 13 35.91 0.5 1 67 VAL CG1 C 13 21.11 0.5 1 67 VAL CG2 C 13 21.09 0.5 1 67 VAL N N 15 118.88 0.25 1 68 THR H H 1 8.70 0.03 1 68 THR HA H 1 4.80 0.03 1 68 THR HB H 1 3.82 0.03 1 68 THR HG2% H 1 1.07 0.03 1 68 THR C C 13 174.43 0.1 1 68 THR CA C 13 60.96 0.5 1 68 THR CB C 13 69.43 0.5 1 68 THR CG2 C 13 22.24 0.5 1 68 THR N N 15 121.16 0.25 1 69 PHE H H 1 8.98 0.03 1 69 PHE HA H 1 4.82 0.03 1 69 PHE HB2 H 1 3.48 0.03 1 69 PHE HB3 H 1 2.64 0.03 1 69 PHE HDx H 1 7.14 0.03 1 69 PHE HDy H 1 7.14 0.03 1 69 PHE HEx H 1 7.27 0.03 1 69 PHE HEy H 1 7.27 0.03 1 69 PHE C C 13 175.20 0.1 1 69 PHE CA C 13 58.76 0.1 1 69 PHE CB C 13 40.78 0.1 1 69 PHE CDx C 13 130.96 0.5 1 69 PHE CDy C 13 130.96 0.5 1 69 PHE CEx C 13 131.97 0.5 1 69 PHE CEy C 13 131.97 0.5 1 69 PHE N N 15 127.95 0.25 1 70 ALA H H 1 8.36 0.03 1 70 ALA HA H 1 3.99 0.03 1 70 ALA HB% H 1 1.36 0.03 1 70 ALA C C 13 176.36 0.1 1 70 ALA CA C 13 54.38 0.5 1 70 ALA CB C 13 19.02 0.5 1 70 ALA N N 15 122.28 0.25 1 71 ASP H H 1 8.90 0.03 1 71 ASP HA H 1 5.21 0.03 1 71 ASP HBy H 1 3.05 0.03 1 71 ASP HBx H 1 2.56 0.03 1 71 ASP C C 13 175.54 0.1 1 71 ASP CA C 13 49.67 0.5 1 71 ASP CB C 13 43.25 0.5 1 71 ASP N N 15 117.23 0.25 1 72 PRO HA H 1 4.40 0.03 1 72 PRO HB2 H 1 2.05 0.03 1 72 PRO HB3 H 1 2.36 0.03 1 72 PRO HDy H 1 3.99 0.03 1 72 PRO HDx H 1 3.93 0.03 1 72 PRO HGx H 1 1.82 0.03 1 72 PRO HGy H 1 1.82 0.03 1 72 PRO C C 13 178.02 0.1 1 72 PRO CA C 13 64.91 0.5 1 72 PRO CB C 13 32.08 0.5 1 72 PRO CD C 13 51.57 0.5 1 72 PRO CG C 13 27.67 0.5 1 73 ALA H H 1 8.66 0.03 1 73 ALA HA H 1 4.26 0.03 1 73 ALA HB% H 1 1.43 0.03 1 73 ALA C C 13 180.73 0.1 1 73 ALA CA C 13 54.60 0.5 1 73 ALA CB C 13 18.06 0.5 1 73 ALA N N 15 121.49 0.25 1 74 SER H H 1 8.43 0.03 1 74 SER HA H 1 3.87 0.03 1 74 SER HB2 H 1 3.05 0.03 1 74 SER HB3 H 1 2.39 0.03 1 74 SER C C 13 175.14 0.1 1 74 SER CA C 13 62.50 0.5 1 74 SER CB C 13 62.53 0.5 1 74 SER N N 15 115.32 0.25 1 75 VAL H H 1 7.31 0.03 1 75 VAL HA H 1 3.56 0.03 1 75 VAL HB H 1 2.28 0.03 1 75 VAL HG1% H 1 1.15 0.03 1 75 VAL HG2% H 1 0.95 0.03 1 75 VAL C C 13 177.52 0.1 1 75 VAL CA C 13 65.53 0.5 1 75 VAL CB C 13 31.58 0.5 1 75 VAL CG1 C 13 22.56 0.5 1 75 VAL CG2 C 13 20.95 0.5 1 75 VAL N N 15 119.60 0.25 1 76 ASP H H 1 6.97 0.03 1 76 ASP HA H 1 4.30 0.03 1 76 ASP HBy H 1 2.71 0.03 1 76 ASP HBx H 1 2.63 0.03 1 76 ASP C C 13 179.41 0.1 1 76 ASP CA C 13 57.32 0.5 1 76 ASP CB C 13 40.23 0.5 1 76 ASP N N 15 116.89 0.25 1 77 LYS H H 1 7.23 0.03 1 77 LYS HA H 1 4.14 0.03 1 77 LYS HBx H 1 2.20 0.03 1 77 LYS HBy H 1 2.20 0.03 1 77 LYS HDx H 1 1.83 0.03 1 77 LYS HDy H 1 1.83 0.03 1 77 LYS HEx H 1 3.03 0.03 1 77 LYS HEy H 1 3.03 0.03 1 77 LYS HGy H 1 1.72 0.03 1 77 LYS HGx H 1 1.57 0.03 1 77 LYS C C 13 179.09 0.1 1 77 LYS CA C 13 59.33 0.5 1 77 LYS CB C 13 32.58 0.5 1 77 LYS CD C 13 29.43 0.5 1 77 LYS CE C 13 42.36 0.5 1 77 LYS CG C 13 25.56 0.5 1 77 LYS N N 15 119.05 0.25 1 78 VAL H H 1 7.49 0.03 1 78 VAL HA H 1 2.79 0.03 1 78 VAL HB H 1 2.09 0.03 1 78 VAL HG1% H 1 0.57 0.03 1 78 VAL HG2% H 1 0. 0.03 1 78 VAL C C 13 179.00 0.1 1 78 VAL CA C 13 66.87 0.5 1 78 VAL CB C 13 31.24 0.5 1 78 VAL CG1 C 13 22.92 0.5 1 78 VAL CG2 C 13 23.03 0.5 1 78 VAL N N 15 120.02 0.25 1 79 LEU H H 1 8.05 0.03 1 79 LEU HA H 1 4.31 0.03 1 79 LEU HBy H 1 1.78 0.03 1 79 LEU HBx H 1 1.56 0.03 1 79 LEU HD1% H 1 0.84 0.03 1 79 LEU HD2% H 1 0.84 0.03 1 79 LEU HG H 1 1.78 0.03 1 79 LEU C C 13 178.42 0.1 1 79 LEU CA C 13 56.40 0.5 1 79 LEU CB C 13 41.15 0.5 1 79 LEU CD1 C 13 22.31 0.5 1 79 LEU CD2 C 13 26.21 0.5 1 79 LEU CG C 13 26.77 0.5 1 79 LEU N N 15 116.41 0.25 1 80 GLY H H 1 7.64 0.03 1 80 GLY HA2 H 1 4.06 0.03 1 80 GLY HA3 H 1 3.78 0.03 1 80 GLY C C 13 173.15 0.1 1 80 GLY CA C 13 45.26 0.5 1 80 GLY N N 15 105.34 0.25 1 81 GLN H H 1 7.41 0.03 1 81 GLN HA H 1 4.93 0.03 1 81 GLN HB2 H 1 2.08 0.03 1 81 GLN HB3 H 1 1.93 0.03 1 81 GLN HE21 H 1 6.87 0.03 1 81 GLN HE22 H 1 7.49 0.03 1 81 GLN HGx H 1 2.25 0.03 1 81 GLN HGy H 1 2.25 0.03 1 81 GLN C C 13 174.25 0.1 1 81 GLN CA C 13 52.19 0.5 1 81 GLN CB C 13 29.40 0.5 1 81 GLN CD C 13 180.44 0.1 1 81 GLN CG C 13 33.17 0.5 1 81 GLN N N 15 123.05 0.25 1 81 GLN NE2 N 15 112.33 0.25 1 82 PRO HA H 1 4.40 0.03 1 82 PRO HBy H 1 2.05 0.03 1 82 PRO HBx H 1 1.88 0.03 1 82 PRO HDx H 1 3.64 0.03 1 82 PRO HDy H 1 3.76 0.03 1 82 PRO HGx H 1 2.32 0.03 1 82 PRO HGy H 1 2.32 0.03 1 82 PRO C C 13 176.37 0.1 1 82 PRO CA C 13 64.88 0.5 1 82 PRO CB C 13 32.40 0.5 1 82 PRO CD C 13 50.56 0.5 1 82 PRO CG C 13 27.15 0.5 1 83 HIS H H 1 7.52 0.03 1 83 HIS HA H 1 4.97 0.03 1 83 HIS HBx H 1 3.10 0.03 1 83 HIS HBy H 1 3.10 0.03 1 83 HIS C C 13 172.43 0.1 1 83 HIS CA C 13 55.59 0.5 1 83 HIS CB C 13 31.62 0.5 1 83 HIS N N 15 114.95 0.25 1 84 HIS H H 1 9.03 0.03 1 84 HIS HA H 1 4.60 0.03 1 84 HIS HB2 H 1 2.82 0.03 1 84 HIS HB3 H 1 2.57 0.03 1 84 HIS C C 13 173.26 0.1 1 84 HIS CA C 13 55.90 0.5 1 84 HIS CB C 13 34.44 0.5 1 85 GLU H H 1 7.99 0.03 1 85 GLU HA H 1 5.02 0.03 1 85 GLU HBy H 1 1.76 0.03 1 85 GLU HBx H 1 1.65 0.03 1 85 GLU HGx H 1 1.99 0.03 1 85 GLU HGy H 1 1.99 0.03 1 85 GLU C C 13 173.04 0.1 1 85 GLU CA C 13 54.28 0.5 1 85 GLU CB C 13 33.03 0.5 1 85 GLU CG C 13 35.83 0.5 1 85 GLU N N 15 122.01 0.25 1 86 LEU H H 1 8.57 0.03 1 86 LEU HA H 1 4.26 0.03 1 86 LEU HB2 H 1 1.35 0.03 1 86 LEU HB3 H 1 0.62 0.03 1 86 LEU HD1% H 1 0.77 0.03 1 86 LEU HD2% H 1 0.60 0.03 1 86 LEU HG H 1 1.25 0.03 1 86 LEU C C 13 176.23 0.1 1 86 LEU CA C 13 54.26 0.5 1 86 LEU CB C 13 45.35 0.5 1 86 LEU CD1 C 13 23.28 0.5 1 86 LEU CD2 C 13 27.10 0.5 1 86 LEU CG C 13 27.02 0.5 1 86 LEU N N 15 123.49 0.25 1 87 ASP H H 1 9.56 0.03 1 87 ASP HA H 1 4.25 0.03 1 87 ASP HB2 H 1 2.37 0.03 1 87 ASP HB3 H 1 2.66 0.03 1 87 ASP C C 13 175.00 0.1 1 87 ASP CA C 13 56.71 0.5 1 87 ASP CB C 13 38.92 0.5 1 87 ASP N N 15 128.21 0.25 1 88 SER H H 1 8.69 0.03 1 88 SER HA H 1 3.92 0.03 1 88 SER HBy H 1 4.10 0.03 1 88 SER HBx H 1 4.05 0.03 1 88 SER C C 13 172.95 0.1 1 88 SER CA C 13 59.92 0.5 1 88 SER CB C 13 62.05 0.5 1 88 SER N N 15 105.50 0.25 1 89 LYS H H 1 7.49 0.03 1 89 LYS HA H 1 4.68 0.03 1 89 LYS HBx H 1 1.63 0.03 1 89 LYS HBy H 1 1.84 0.03 1 89 LYS HDx H 1 1.73 0.03 1 89 LYS HDy H 1 1.73 0.03 1 89 LYS HEx H 1 2.70 0.03 1 89 LYS HEy H 1 2.70 0.03 1 89 LYS HGy H 1 1.49 0.03 1 89 LYS HGx H 1 1.38 0.03 1 89 LYS C C 13 175.14 0.1 1 89 LYS CA C 13 53.55 0.5 1 89 LYS CB C 13 35.22 0.5 1 89 LYS CD C 13 27.94 0.5 1 89 LYS CE C 13 42.22 0.5 1 89 LYS CG C 13 24.20 0.5 1 89 LYS N N 15 120.86 0.25 1 90 THR H H 1 8.57 0.03 1 90 THR HA H 1 4.58 0.03 1 90 THR HB H 1 4.12 0.03 1 90 THR HG2% H 1 1.34 0.03 1 90 THR C C 13 174.66 0.1 1 90 THR CA C 13 63.73 0.5 1 90 THR CB C 13 69.00 0.5 1 90 THR CG2 C 13 22.41 0.5 1 90 THR N N 15 121.17 0.25 1 91 ILE H H 1 8.01 0.03 1 91 ILE HA H 1 4.15 0.03 1 91 ILE HB H 1 1.71 0.03 1 91 ILE HD1% H 1 0.52 0.03 1 91 ILE HG12 H 1 0.57 0.03 1 91 ILE HG13 H 1 1.08 0.03 1 91 ILE HG2% H 1 0.79 0.03 1 91 ILE C C 13 174.66 0.1 1 91 ILE CA C 13 60.45 0.5 1 91 ILE CB C 13 40.39 0.5 1 91 ILE CD1 C 13 14.49 0.5 1 91 ILE CG1 C 13 26.32 0.5 1 91 ILE CG2 C 13 18.81 0.5 1 91 ILE N N 15 121.81 0.25 1 92 ASP H H 1 8.37 0.03 1 92 ASP HA H 1 5.30 0.03 1 92 ASP HB2 H 1 2.38 0.03 1 92 ASP HB3 H 1 2.66 0.03 1 92 ASP C C 13 173.14 0.1 1 92 ASP CA C 13 51.35 0.5 1 92 ASP CB C 13 42.38 0.5 1 92 ASP N N 15 117.83 0.25 1 93 PRO HA H 1 5.13 0.03 1 93 PRO HBx H 1 1.66 0.03 1 93 PRO HBy H 1 1.84 0.03 1 93 PRO HDy H 1 3.93 0.03 1 93 PRO HDx H 1 3.55 0.03 1 93 PRO HGy H 1 1.70 0.03 1 93 PRO HGx H 1 1.26 0.03 1 93 PRO C C 13 175.87 0.1 1 93 PRO CA C 13 61.65 0.5 1 93 PRO CB C 13 32.36 0.5 1 93 PRO CD C 13 50.19 0.5 1 93 PRO CG C 13 27.55 0.5 1 94 LYS H H 1 9.50 0.03 1 94 LYS HA H 1 4.71 0.03 1 94 LYS HBx H 1 1.77 0.03 1 94 LYS HBy H 1 1.95 0.03 1 94 LYS HDx H 1 1.63 0.03 1 94 LYS HDy H 1 1.63 0.03 1 94 LYS HEx H 1 2.91 0.03 1 94 LYS HEy H 1 2.91 0.03 1 94 LYS HGx H 1 1.45 0.03 1 94 LYS HGy H 1 1.45 0.03 1 94 LYS C C 13 175.90 0.1 1 94 LYS CA C 13 54.64 0.5 1 94 LYS CB C 13 36.63 0.5 1 94 LYS CD C 13 29.09 0.5 1 94 LYS CE C 13 42.08 0.5 1 94 LYS CG C 13 23.95 0.5 1 94 LYS N N 15 121.79 0.25 1 95 VAL H H 1 8.65 0.03 1 95 VAL HA H 1 4.04 0.03 1 95 VAL HB H 1 2.10 0.03 1 95 VAL HGx% H 1 1.01 0.03 1 95 VAL HGy% H 1 1.00 0.03 1 95 VAL C C 13 175.66 0.1 1 95 VAL CA C 13 63.98 0.5 1 95 VAL CB C 13 32.04 0.5 1 95 VAL CGx C 13 21.98 0.5 1 95 VAL CGy C 13 22.11 0.5 1 95 VAL N N 15 119.40 0.25 1 96 ALA H H 1 8.01 0.03 1 96 ALA HA H 1 4.31 0.03 1 96 ALA HB% H 1 1.18 0.03 1 96 ALA C C 13 176.13 0.1 1 96 ALA CA C 13 52.86 0.5 1 96 ALA CB C 13 19.07 0.5 1 96 ALA N N 15 126.34 0.25 1 97 PHE H H 1 8.12 0.03 1 97 PHE HA H 1 4.77 0.03 1 97 PHE HBx H 1 2.88 0.03 1 97 PHE HBy H 1 3.08 0.03 1 97 PHE HDx H 1 7.25 0.03 1 97 PHE HDy H 1 7.25 0.03 1 97 PHE HEx H 1 6.95 0.03 1 97 PHE HEy H 1 6.95 0.03 1 97 PHE C C 13 173.15 0.1 1 97 PHE CA C 13 55.08 0.5 1 97 PHE CB C 13 39.18 0.5 1 97 PHE CDx C 13 131.90 0.5 1 97 PHE CDy C 13 131.90 0.5 1 97 PHE CEx C 13 131.02 0.5 1 97 PHE CEy C 13 131.02 0.5 1 97 PHE N N 15 118.54 0.25 1 98 PRO HA H 1 4.51 0.03 1 98 PRO HBy H 1 2.34 0.03 1 98 PRO HBx H 1 1.88 0.03 1 98 PRO HDy H 1 3.92 0.03 1 98 PRO HDx H 1 3.86 0.03 1 98 PRO HGy H 1 2.01 0.03 1 98 PRO HGx H 1 1.99 0.03 1 98 PRO C C 13 175.93 0.1 1 98 PRO CA C 13 63.13 0.5 1 98 PRO CB C 13 32.08 0.5 1 98 PRO CD C 13 50.35 0.5 1 98 PRO CG C 13 27.31 0.5 1 99 ARG H H 1 8.39 0.03 1 99 ARG HA H 1 4.31 0.03 1 99 ARG HBx H 1 1.83 0.03 1 99 ARG HBy H 1 1.83 0.03 1 99 ARG HDx H 1 3.05 0.03 1 99 ARG HDy H 1 3.05 0.03 1 99 ARG HGx H 1 1.62 0.03 1 99 ARG HGy H 1 1.62 0.03 1 99 ARG C C 13 176.52 0.25 1 99 ARG CA C 13 56.43 0.5 1 99 ARG CB C 13 31.72 0.5 1 99 ARG CD C 13 43.40 0.5 1 99 ARG CG C 13 27.60 0.5 1 99 ARG N N 15 121.61 0.25 1 100 ARG H H 1 8.34 0.03 1 100 ARG HA H 1 4.40 0.03 1 100 ARG HBy H 1 1.80 0.03 1 100 ARG HBx H 1 1.78 0.03 1 100 ARG HDx H 1 3.16 0.03 1 100 ARG HDy H 1 3.16 0.03 1 100 ARG HGx H 1 1.60 0.03 1 100 ARG HGy H 1 1.60 0.03 1 100 ARG C C 13 175.71 0.1 1 100 ARG CA C 13 55.91 0.5 1 100 ARG CB C 13 31.89 0.5 1 100 ARG CD C 13 43.44 0.5 1 100 ARG CG C 13 27.12 0.5 1 100 ARG N N 15 122.30 0.25 1 101 ALA H H 1 8.35 0.03 1 101 ALA HA H 1 4.30 0.03 1 101 ALA HB% H 1 1.36 0.03 1 101 ALA C C 13 177.19 0.1 1 101 ALA CA C 13 52.24 0.5 1 101 ALA CB C 13 19.26 0.5 1 101 ALA N N 15 125.64 0.25 1 102 GLN H H 1 8.35 0.03 1 102 GLN HA H 1 4.60 0.03 1 102 GLN HBy H 1 2.08 0.03 1 102 GLN HBx H 1 1.92 0.03 1 102 GLN HE21 H 1 6.88 0.03 1 102 GLN HE22 H 1 7.54 0.03 1 102 GLN HGx H 1 2.39 0.03 1 102 GLN HGy H 1 2.39 0.03 1 102 GLN C C 13 173.96 0.1 1 102 GLN CA C 13 53.71 0.5 1 102 GLN CB C 13 28.95 0.5 1 102 GLN CD C 13 180.46 0.1 1 102 GLN CG C 13 33.57 0.5 1 102 GLN N N 15 121.08 0.25 1 102 GLN NE2 N 15 112.64 0.25 1 103 PRO HA H 1 4.44 0.03 1 103 PRO HBx H 1 2.33 0.03 1 103 PRO HBy H 1 2.33 0.03 1 103 PRO HDy H 1 3.76 0.03 1 103 PRO HDx H 1 3.63 0.03 1 103 PRO HGx H 1 2.05 0.03 1 103 PRO HGy H 1 2.05 0.03 1 103 PRO C C 13 175.37 0.1 1 103 PRO CA C 13 63.23 0.5 1 103 PRO CB C 13 32.74 0.5 1 103 PRO CD C 13 50.51 0.5 1 103 PRO CG C 13 27.44 0.5 1 104 LYS H H 1 8.31 0.03 1 104 LYS HA H 1 4.27 0.03 1 104 LYS HBx H 1 1.76 0.03 1 104 LYS HBy H 1 1.76 0.03 1 104 LYS HDx H 1 1.69 0.03 1 104 LYS HDy H 1 1.69 0.03 1 104 LYS HEx H 1 3.00 0.03 1 104 LYS HEy H 1 3.00 0.03 1 104 LYS HGx H 1 1.40 0.03 1 104 LYS HGy H 1 1.72 0.03 1 104 LYS C C 13 176.44 0.1 1 104 LYS CA C 13 56.39 0.5 1 104 LYS CB C 13 32.95 0.5 1 104 LYS CD C 13 29.16 0.5 1 104 LYS CE C 13 42.28 0.5 1 104 LYS CG C 13 24.73 0.5 1 104 LYS N N 15 123.55 0.25 1 105 MET H H 1 8.39 0.03 1 105 MET HA H 1 4.51 0.03 1 105 MET HBx H 1 2.05 0.03 1 105 MET HBy H 1 2.05 0.03 1 105 MET HE% H 1 2.05 0.03 1 105 MET HGx H 1 2.57 0.03 1 105 MET HGy H 1 2.57 0.03 1 105 MET C C 13 175.94 0.1 1 105 MET CA C 13 55.36 0.5 1 105 MET CB C 13 32.96 0.5 1 105 MET CE C 13 17.08 0.5 1 105 MET CG C 13 31.89 0.5 1 105 MET N N 15 122.23 0.25 1 106 VAL H H 1 8.25 0.03 1 106 VAL HA H 1 4.82 0.03 1 106 VAL HB H 1 2.05 0.03 1 106 VAL HGx% H 1 0.90 0.03 1 106 VAL HGy% H 1 0.88 0.03 1 106 VAL C C 13 176.12 0.1 1 106 VAL CA C 13 62.30 0.5 1 106 VAL CB C 13 32.84 0.5 1 106 VAL CGx C 13 20.95 0.5 1 106 VAL CGy C 13 21.18 0.5 1 106 VAL N N 15 122.53 0.25 1 107 THR H H 1 8.28 0.03 1 107 THR HA H 1 4.70 0.03 1 107 THR HB H 1 4.40 0.03 1 107 THR HG2% H 1 1.19 0.03 1 107 THR C C 13 174.24 0.1 1 107 THR CA C 13 62.00 0.5 1 107 THR CB C 13 69.96 0.5 1 107 THR CG2 C 13 21.81 0.5 1 107 THR N N 15 119.12 0.25 1 108 ARG H H 1 8.45 0.03 1 108 ARG HA H 1 4.46 0.03 1 108 ARG HBy H 1 1.88 0.03 1 108 ARG HBx H 1 1.63 0.03 1 108 ARG HDx H 1 3.21 0.03 1 108 ARG HDy H 1 3.21 0.03 1 108 ARG HGx H 1 1.62 0.03 1 108 ARG HGy H 1 1.62 0.03 1 108 ARG C C 13 176.21 0.1 1 108 ARG CA C 13 55.97 0.5 1 108 ARG CB C 13 30.90 0.5 1 108 ARG CD C 13 43.43 0.5 1 108 ARG CG C 13 27.20 0.5 1 108 ARG N N 15 124.26 0.25 1 109 THR H H 1 8.22 0.03 1 109 THR HA H 1 4.39 0.03 1 109 THR HB H 1 3.87 0.03 1 109 THR HG2% H 1 1.20 0.03 1 109 THR C C 13 174.17 0.1 1 109 THR CA C 13 62.00 0.5 1 109 THR CB C 13 69.93 0.5 1 109 THR CG2 C 13 21.13 0.5 1 109 THR N N 15 116.33 0.25 1 110 LYS H H 1 8.33 0.03 1 110 LYS HA H 1 4.35 0.03 1 110 LYS HBx H 1 1.66 0.03 1 110 LYS HBy H 1 1.66 0.03 1 110 LYS HDx H 1 1.69 0.03 1 110 LYS HDy H 1 1.69 0.03 1 110 LYS HEx H 1 3.00 0.03 1 110 LYS HEy H 1 3.00 0.03 1 110 LYS HGy H 1 1.69 0.03 1 110 LYS HGx H 1 1.40 0.03 1 110 LYS C C 13 175.37 0.1 1 110 LYS CA C 13 56.41 0.5 1 110 LYS CB C 13 33.08 0.5 1 110 LYS CD C 13 29.15 0.5 1 110 LYS CE C 13 42.22 0.5 1 110 LYS CG C 13 24.75 0.5 1 110 LYS N N 15 124.73 0.25 1 111 LYS H H 1 8.03 0.03 1 111 LYS HA H 1 4.14 0.03 1 111 LYS HBx H 1 1.71 0.03 1 111 LYS HBy H 1 1.80 0.03 1 111 LYS HDx H 1 1.67 0.03 1 111 LYS HDy H 1 1.67 0.03 1 111 LYS HEx H 1 3.00 0.03 1 111 LYS HEy H 1 3.00 0.03 1 111 LYS HGx H 1 1.40 0.03 1 111 LYS HGy H 1 1.40 0.03 1 111 LYS C C 13 181.28 0.1 1 111 LYS CA C 13 57.93 0.5 1 111 LYS CB C 13 33.47 0.5 1 111 LYS CD C 13 29.19 0.5 1 111 LYS CE C 13 42.33 0.5 1 111 LYS CG C 13 24.81 0.5 1 111 LYS N N 15 128.78 0.25 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 1 5 THR H 1 5 THR HG2% 1.0 1.5 2.7 2 2 1 5 THR H 1 5 THR HB 1.0 1.5 3.3 3 3 1 5 THR H 1 5 THR HA 1.0 1.5 3.3 4 4 1 7 VAL H 1 6 SER HA 1.0 1.5 3.3 5 5 1 7 VAL H 1 6 SER HBx 1.0 1.5 3.3 6 5 1 7 VAL H 1 6 SER HBy 1.0 1.5 3.3 7 6 1 7 VAL H 1 7 VAL HA 1.0 1.5 3.0 8 7 1 7 VAL H 1 7 VAL HB 1.0 1.5 2.7 9 8 1 7 VAL H 1 7 VAL HGx% 1.0 1.5 5.5 10 9 1 7 VAL H 1 7 VAL HGy% 1.0 1.5 2.7 11 10 1 10 GLY H 1 11 THR H 1.0 1.5 3.3 12 11 1 10 GLY H 1 9 LEU HBy 1.0 1.5 3.3 13 11 1 10 GLY H 1 9 LEU HBx 1.0 1.5 3.3 14 12 1 10 GLY H 1 9 LEU HDx% 1.0 1.5 4.0 15 13 1 10 GLY H 1 10 GLY HAx 1.0 1.5 2.7 16 13 1 10 GLY H 1 10 GLY HAy 1.0 1.5 2.7 17 14 1 10 GLY H 1 9 LEU HA 1.0 1.5 3.3 18 15 1 11 THR H 1 12 GLU H 1.0 1.5 3.3 19 16 1 11 THR H 1 13 ASN H 1.0 1.5 4.0 20 17 1 11 THR H 1 11 THR HA 1.0 1.5 3.3 21 18 1 11 THR H 1 10 GLY HAx 1.0 1.5 2.7 22 18 1 11 THR H 1 10 GLY HAy 1.0 1.5 2.7 23 19 1 11 THR H 1 11 THR HG2% 1.0 1.5 2.7 24 20 1 11 THR H 1 12 GLU HBy 1.0 1.5 4.0 25 20 1 11 THR H 1 12 GLU HBx 1.0 1.5 4.0 26 21 1 11 THR H 1 9 LEU HBy 1.0 1.5 4.0 27 21 1 11 THR H 1 9 LEU HBx 1.0 1.5 4.0 28 22 1 11 THR H 1 12 GLU HGx 1.0 1.5 5.5 29 22 1 11 THR H 1 12 GLU HGy 1.0 1.5 5.5 30 23 1 11 THR H 1 13 ASN HBy 1.0 1.5 5.5 31 23 1 11 THR H 1 13 ASN HBx 1.0 1.5 5.5 32 24 1 12 GLU H 1 12 GLU HA 1.0 1.5 3.3 33 25 1 12 GLU H 1 12 GLU HGx 1.0 1.5 4.0 34 25 1 12 GLU H 1 12 GLU HGy 1.0 1.5 4.0 35 26 1 12 GLU H 1 12 GLU HBy 1.0 1.5 2.7 36 26 1 12 GLU H 1 12 GLU HBx 1.0 1.5 2.7 37 27 1 12 GLU H 1 14 LEU HDx% 1.0 1.5 5.5 38 28 1 12 GLU H 1 11 THR HG2% 1.0 1.5 4.0 39 29 1 12 GLU H 1 13 ASN H 1.0 1.5 2.7 40 30 1 13 ASN H 1 14 LEU H 1.0 1.5 3.3 41 31 1 13 ASN H 1 13 ASN HD21 1.0 1.5 5.5 42 32 1 13 ASN H 1 13 ASN HD22 1.0 1.5 5.5 43 33 1 13 ASN H 1 12 GLU HA 1.0 1.5 3.3 44 34 1 13 ASN H 1 13 ASN HBy 1.0 1.5 2.7 45 35 1 13 ASN H 1 13 ASN HBx 1.0 1.5 2.7 46 36 1 13 ASN H 1 12 GLU HGx 1.0 1.5 3.3 47 36 1 13 ASN H 1 12 GLU HGy 1.0 1.5 3.3 48 37 1 13 ASN H 1 12 GLU HBy 1.0 1.5 3.3 49 37 1 13 ASN H 1 12 GLU HBx 1.0 1.5 3.3 50 38 1 13 ASN H 1 14 LEU HDx% 1.0 1.5 5.5 51 39 1 13 ASN HD21 1 13 ASN HD22 1.0 1.5 2.7 52 40 1 13 ASN HD21 1 13 ASN HBy 1.0 1.5 2.7 53 40 1 13 ASN HBx 1 13 ASN HD21 1.0 1.5 2.7 54 41 1 13 ASN HD22 1 13 ASN HBy 1.0 1.5 2.7 55 41 1 13 ASN HBx 1 13 ASN HD22 1.0 1.5 2.7 56 42 1 15 TYR H 1 15 TYR HD% 1.0 1.5 4.0 57 43 1 15 TYR H 1 15 TYR HA 1.0 1.5 3.3 58 44 1 15 TYR H 1 14 LEU HA 1.0 1.5 3.3 59 45 1 15 TYR H 1 16 PHE HBy 1.0 1.5 5.5 60 45 1 15 TYR H 1 16 PHE HBx 1.0 1.5 5.5 61 46 1 15 TYR H 1 15 TYR HBy 1.0 1.5 2.7 62 46 1 15 TYR H 1 15 TYR HBx 1.0 1.5 2.7 63 47 1 15 TYR H 1 14 LEU HBy 1.0 1.5 3.3 64 47 1 15 TYR H 1 14 LEU HBx 1.0 1.5 3.3 65 48 1 14 LEU HDx% 1 15 TYR H 1.0 1.5 3.3 66 49 1 16 PHE H 1 16 PHE HA 1.0 1.5 2.7 67 50 1 16 PHE H 1 16 PHE HBy 1.0 1.5 2.7 68 50 1 16 PHE HBx 1 16 PHE H 1.0 1.5 2.7 69 51 1 16 PHE H 1 17 GLN H 1.0 1.5 3.3 70 52 1 17 GLN H 1 17 GLN HE21 1.0 1.5 4.0 71 53 1 17 GLN H 1 17 GLN HGx 1.0 1.5 2.7 72 53 1 17 GLN H 1 17 GLN HGy 1.0 1.5 2.7 73 54 1 17 GLN H 1 17 GLN HBx 1.0 1.5 3.3 74 54 1 17 GLN H 1 17 GLN HBy 1.0 1.5 3.3 75 55 1 17 GLN HE21 1 17 GLN HE22 1.0 1.5 2.7 76 56 1 19 ASN H 1 19 ASN HBx 1.0 1.5 2.7 77 56 1 19 ASN H 1 19 ASN HBy 1.0 1.5 2.7 78 57 1 19 ASN H 1 19 ASN HA 1.0 1.5 3.3 79 58 1 19 ASN H 1 20 ALA HB% 1.0 1.5 4.0 80 59 1 19 ASN HD21 1 19 ASN HD22 1.0 1.5 2.7 81 60 1 19 ASN HD21 1 19 ASN HBx 1.0 1.5 2.7 82 60 1 19 ASN HBy 1 19 ASN HD21 1.0 1.5 2.7 83 61 1 19 ASN HD22 1 19 ASN HBx 1.0 1.5 2.7 84 61 1 19 ASN HBy 1 19 ASN HD22 1.0 1.5 2.7 85 62 1 20 ALA H 1 20 ALA HA 1.0 1.5 3.3 86 63 1 20 ALA H 1 19 ASN HBx 1.0 1.5 5.5 87 63 1 19 ASN HBy 1 20 ALA H 1.0 1.5 5.5 88 64 1 20 ALA HB% 1 20 ALA H 1.0 1.5 2.7 89 65 1 20 ALA H 1 21 GLY H 1.0 1.5 5.5 90 66 1 21 GLY H 1 22 LYS H 1.0 1.5 2.7 91 67 1 21 GLY H 1 22 LYS HA 1.0 1.5 5.5 92 68 1 21 GLY H 1 21 GLY HAx 1.0 1.5 2.7 93 68 1 21 GLY H 1 21 GLY HAy 1.0 1.5 2.7 94 69 1 21 GLY H 1 19 ASN HBx 1.0 1.5 6.0 95 69 1 19 ASN HBy 1 21 GLY H 1.0 1.5 6.0 96 70 1 20 ALA HB% 1 21 GLY H 1.0 1.5 3.3 97 71 1 21 GLY H 1 75 VAL HG1% 1.0 1.5 5.5 98 72 1 21 GLY H 1 75 VAL HG2% 1.0 1.5 5.5 99 73 1 22 LYS H 1 23 MET H 1.0 1.5 4.5 100 74 1 22 LYS H 1 96 ALA H 1.0 1.5 5.5 101 75 1 20 ALA H 1 22 LYS H 1.0 1.5 5.5 102 76 1 20 ALA HA 1 22 LYS H 1.0 1.5 3.3 103 77 1 22 LYS H 1 21 GLY HAy 1.0 1.5 3.3 104 78 1 22 LYS H 1 21 GLY HAx 1.0 1.5 3.3 105 79 1 22 LYS H 1 22 LYS HBx 1.0 1.5 3.3 106 79 1 22 LYS H 1 22 LYS HBy 1.0 1.5 3.3 107 80 1 22 LYS H 1 22 LYS HDx 1.0 1.5 3.3 108 80 1 22 LYS H 1 22 LYS HDy 1.0 1.5 3.3 109 81 1 22 LYS H 1 22 LYS HGx 1.0 1.5 3.3 110 81 1 22 LYS H 1 22 LYS HGy 1.0 1.5 3.3 111 82 1 23 MET H 1 69 PHE H 1.0 1.5 4.0 112 83 1 23 MET H 1 67 VAL H 1.0 1.5 3.3 113 84 1 23 MET H 1 23 MET HGy 1.0 1.5 4.0 114 84 1 23 MET H 1 23 MET HGx 1.0 1.5 4.0 115 85 1 23 MET H 1 23 MET HBx 1.0 1.5 3.3 116 86 1 23 MET H 1 23 MET HBy 1.0 1.5 3.3 117 87 1 23 MET H 1 22 LYS HGx 1.0 1.5 3.3 118 87 1 23 MET H 1 22 LYS HGy 1.0 1.5 3.3 119 88 1 22 LYS HA 1 23 MET H 1.0 1.5 2.7 120 89 1 23 MET H 1 24 PHE H 1.0 1.5 4.0 121 90 1 24 PHE H 1 94 LYS H 1.0 1.5 3.3 122 91 1 24 PHE H 1 25 ILE H 1.0 1.5 4.0 123 92 1 67 VAL H 1 24 PHE H 1.0 1.5 5.5 124 93 1 96 ALA H 1 24 PHE H 1.0 1.5 4.0 125 94 1 24 PHE H 1 24 PHE HD% 1.0 1.5 5.5 126 95 1 24 PHE H 1 95 VAL HA 1.0 1.5 4.0 127 96 1 24 PHE H 1 24 PHE HBy 1.0 1.5 2.7 128 96 1 24 PHE H 1 24 PHE HBx 1.0 1.5 2.7 129 97 1 24 PHE H 1 23 MET HBx 1.0 1.5 4.0 130 97 1 24 PHE H 1 23 MET HBy 1.0 1.5 4.0 131 98 1 24 PHE H 1 25 ILE HD1% 1.0 1.5 5.5 132 99 1 24 PHE H 1 25 ILE HG13 1.0 1.5 5.5 133 99 1 24 PHE H 1 25 ILE HG12 1.0 1.5 5.5 134 100 1 25 ILE H 1 66 PHE HA 1.0 1.5 2.7 135 101 1 25 ILE H 1 24 PHE HD% 1.0 1.5 2.7 136 102 1 24 PHE H 1 25 ILE H 1.0 1.5 4.0 137 103 1 94 LYS H 1 25 ILE H 1.0 1.5 5.5 138 104 1 25 ILE H 1 65 GLY H 1.0 1.5 3.3 139 105 1 25 ILE H 1 66 PHE H 1.0 1.5 4.0 140 106 1 25 ILE H 1 24 PHE HBy 1.0 1.5 4.0 141 106 1 25 ILE H 1 24 PHE HBx 1.0 1.5 4.0 142 107 1 25 ILE H 1 25 ILE HG13 1.0 1.5 3.3 143 108 1 25 ILE H 1 67 VAL HG2% 1.0 1.5 5.5 144 109 1 25 ILE H 1 25 ILE HB 1.0 1.5 2.7 145 110 1 25 ILE H 1 25 ILE HG2% 1.0 1.5 5.5 146 111 1 25 ILE H 1 28 LEU HD1% 1.0 1.5 5.5 147 112 1 25 ILE H 1 25 ILE HD1% 1.0 1.5 4.0 148 113 1 25 ILE H 1 26 GLY H 1.0 1.5 4.0 149 114 1 26 GLY H 1 92 ASP H 1.0 1.5 3.3 150 115 1 26 GLY H 1 91 ILE HA 1.0 1.5 5.5 151 116 1 26 GLY H 1 26 GLY HA3 1.0 1.5 2.7 152 117 1 26 GLY H 1 26 GLY HA2 1.0 1.5 2.7 153 118 1 26 GLY H 1 92 ASP HB3 1.0 1.5 3.3 154 119 1 26 GLY H 1 92 ASP HB2 1.0 1.5 5.5 155 120 1 25 ILE HG2% 1 26 GLY H 1.0 1.5 3.3 156 121 1 25 ILE HD1% 1 26 GLY H 1.0 1.5 5.5 157 122 1 26 GLY H 1 27 GLY H 1.0 1.5 4.5 158 123 1 27 GLY H 1 28 LEU H 1.0 1.5 2.7 159 124 1 27 GLY H 1 64 PHE H 1.0 1.5 5.5 160 125 1 27 GLY H 1 26 GLY HA3 1.0 1.5 2.7 161 126 1 27 GLY H 1 26 GLY HA2 1.0 1.5 2.7 162 127 1 27 GLY H 1 64 PHE HBx 1.0 1.5 4.0 163 128 1 27 GLY H 1 64 PHE HBy 1.0 1.5 4.0 164 129 1 27 GLY H 1 28 LEU HG 1.0 1.5 4.0 165 130 1 27 GLY H 1 28 LEU HBy 1.0 1.5 5.5 166 130 1 27 GLY H 1 28 LEU HBx 1.0 1.5 5.5 167 131 1 28 LEU H 1 63 GLY H 1.0 1.5 5.5 168 132 1 28 LEU H 1 28 LEU HBy 1.0 1.5 2.7 169 132 1 28 LEU H 1 28 LEU HBx 1.0 1.5 2.7 170 133 1 28 LEU H 1 28 LEU HG 1.0 1.5 2.7 171 134 1 28 LEU H 1 64 PHE HA 1.0 1.5 3.3 172 135 1 28 LEU H 1 29 SER H 1.0 1.5 4.5 173 136 1 29 SER H 1 31 GLN H 1.0 1.5 5.0 174 137 1 29 SER H 1 32 THR H 1.0 1.5 3.3 175 138 1 29 SER H 1 30 TRP HA 1.0 1.5 5.5 176 139 1 29 SER H 1 28 LEU HA 1.0 1.5 2.7 177 140 1 29 SER H 1 32 THR HA 1.0 1.5 5.5 178 141 1 29 SER H 1 29 SER HB3 1.0 1.5 2.7 179 142 1 29 SER H 1 29 SER HB2 1.0 1.5 3.3 180 143 1 29 SER H 1 32 THR HB 1.0 1.5 4.0 181 144 1 29 SER H 1 87 ASP HB3 1.0 1.5 6.0 182 144 1 29 SER H 1 87 ASP HB2 1.0 1.5 6.0 183 145 1 29 SER H 1 89 LYS HGx 1.0 1.5 5.5 184 145 1 29 SER H 1 89 LYS HGy 1.0 1.5 5.5 185 146 1 29 SER H 1 86 LEU HD1% 1.0 1.5 4.0 186 147 1 28 LEU HD1% 1 29 SER H 1.0 1.5 5.5 187 148 1 29 SER H 1 28 LEU HD2% 1.0 1.5 5.5 188 149 1 29 SER H 1 32 THR HG2% 1.0 1.5 4.0 189 150 1 30 TRP H 1 30 TRP HE1 1.0 1.5 4.0 190 151 1 29 SER H 1 30 TRP H 1.0 1.5 4.0 191 152 1 30 TRP H 1 30 TRP HD1 1.0 1.5 2.7 192 153 1 30 TRP H 1 29 SER HA 1.0 1.5 2.7 193 154 1 30 TRP HA 1 30 TRP H 1.0 1.5 2.7 194 155 1 30 TRP H 1 29 SER HB2 1.0 1.5 3.3 195 155 1 30 TRP H 1 29 SER HB3 1.0 1.5 3.3 196 156 1 30 TRP H 1 31 GLN HA 1.0 1.5 5.5 197 157 1 30 TRP H 1 30 TRP HBx 1.0 1.5 2.7 198 158 1 30 TRP H 1 30 TRP HBy 1.0 1.5 3.3 199 159 1 30 TRP H 1 31 GLN HBx 1.0 1.5 5.5 200 159 1 30 TRP H 1 31 GLN HBy 1.0 1.5 5.5 201 160 1 30 TRP H 1 31 GLN HGy 1.0 1.5 4.0 202 160 1 30 TRP H 1 31 GLN HGx 1.0 1.5 4.0 203 161 1 30 TRP HE1 1 30 TRP HH2 1.0 1.5 5.5 204 162 1 30 TRP HE1 1 30 TRP HD1 1.0 1.5 2.7 205 163 1 30 TRP HE1 1 30 TRP HBx 1.0 1.5 5.5 206 164 1 30 TRP HE1 1 30 TRP HBy 1.0 1.5 5.5 207 165 1 30 TRP HE1 1 29 SER HB2 1.0 1.5 5.5 208 166 1 30 TRP HE1 1 31 GLN HBx 1.0 1.5 4.0 209 166 1 30 TRP HE1 1 31 GLN HBy 1.0 1.5 4.0 210 167 1 30 TRP HE1 1 31 GLN HGy 1.0 1.5 4.0 211 167 1 30 TRP HE1 1 31 GLN HGx 1.0 1.5 4.0 212 168 1 30 TRP HE1 1 30 TRP HZ2 1.0 1.5 2.7 213 169 1 31 GLN H 1 30 TRP H 1.0 1.5 3.3 214 170 1 31 GLN H 1 32 THR H 1.0 1.5 4.5 215 171 1 31 GLN H 1 30 TRP HD1 1.0 1.5 4.0 216 172 1 31 GLN H 1 31 GLN HE21 1.0 1.5 5.5 217 173 1 31 GLN H 1 31 GLN HA 1.0 1.5 3.3 218 174 1 31 GLN H 1 29 SER HB2 1.0 1.5 3.3 219 174 1 31 GLN H 1 29 SER HB3 1.0 1.5 3.3 220 175 1 31 GLN H 1 30 TRP HBx 1.0 1.5 4.0 221 175 1 31 GLN H 1 30 TRP HBy 1.0 1.5 4.0 222 176 1 31 GLN H 1 31 GLN HGy 1.0 1.5 2.7 223 176 1 31 GLN H 1 31 GLN HGx 1.0 1.5 2.7 224 177 1 31 GLN H 1 31 GLN HBx 1.0 1.5 3.3 225 177 1 31 GLN H 1 31 GLN HBy 1.0 1.5 3.3 226 178 1 31 GLN H 1 32 THR HG2% 1.0 1.5 5.5 227 179 1 31 GLN HE21 1 31 GLN HE22 1.0 1.5 2.7 228 180 1 31 GLN HA 1 31 GLN HE21 1.0 1.5 5.5 229 181 1 31 GLN HE21 1 31 GLN HGy 1.0 1.5 2.7 230 181 1 31 GLN HGx 1 31 GLN HE21 1.0 1.5 2.7 231 182 1 31 GLN HE21 1 31 GLN HBx 1.0 1.5 4.0 232 182 1 31 GLN HBy 1 31 GLN HE21 1.0 1.5 4.0 233 183 1 31 GLN HA 1 31 GLN HE22 1.0 1.5 5.5 234 184 1 32 THR H 1 33 SER H 1.0 1.5 5.5 235 185 1 32 THR H 1 32 THR HB 1.0 1.5 2.7 236 186 1 32 THR H 1 29 SER HB2 1.0 1.5 5.5 237 186 1 32 THR H 1 29 SER HB3 1.0 1.5 5.5 238 187 1 32 THR H 1 31 GLN HA 1.0 1.5 3.3 239 188 1 32 THR H 1 30 TRP H 1.0 1.5 4.0 240 189 1 32 THR H 1 31 GLN HBx 1.0 1.5 2.7 241 189 1 32 THR H 1 31 GLN HBy 1.0 1.5 2.7 242 190 1 32 THR H 1 32 THR HG2% 1.0 1.5 4.0 243 191 1 32 THR H 1 28 LEU HBy 1.0 1.5 5.5 244 191 1 28 LEU HBx 1 32 THR H 1.0 1.5 5.5 245 192 1 32 THR H 1 28 LEU HD2% 1.0 1.5 5.5 246 193 1 33 SER H 1 52 VAL HG2% 1.0 1.5 5.5 247 194 1 33 SER H 1 52 VAL HG1% 1.0 1.5 5.5 248 195 1 32 THR HG2% 1 33 SER H 1.0 1.5 3.3 249 196 1 35 ASP H 1 38 ARG H 1.0 1.5 5.5 250 197 1 33 SER H 1 35 ASP H 1.0 1.5 5.5 251 198 1 35 ASP H 1 37 LEU H 1.0 1.5 4.0 252 199 1 35 ASP H 1 33 SER HA 1.0 1.5 4.0 253 200 1 35 ASP H 1 34 PRO HA 1.0 1.5 3.3 254 201 1 35 ASP H 1 33 SER HB2 1.0 1.5 4.0 255 201 1 35 ASP H 1 33 SER HB3 1.0 1.5 4.0 256 202 1 35 ASP H 1 34 PRO HDy 1.0 1.5 4.0 257 202 1 35 ASP H 1 34 PRO HDx 1.0 1.5 4.0 258 203 1 35 ASP H 1 34 PRO HGy 1.0 1.5 2.7 259 203 1 35 ASP H 1 34 PRO HGx 1.0 1.5 2.7 260 204 1 35 ASP H 1 34 PRO HBy 1.0 1.5 3.3 261 204 1 35 ASP H 1 34 PRO HBx 1.0 1.5 3.3 262 205 1 35 ASP H 1 35 ASP HB3 1.0 1.5 3.3 263 206 1 35 ASP H 1 35 ASP HB2 1.0 1.5 2.7 264 207 1 32 THR HG2% 1 35 ASP H 1.0 1.5 6.0 265 208 1 37 LEU H 1 36 SER H 1.0 1.5 2.7 266 209 1 38 ARG H 1 36 SER H 1.0 1.5 4.0 267 210 1 33 SER H 1 36 SER H 1.0 1.5 3.3 268 211 1 36 SER H 1 36 SER HBy 1.0 1.5 3.3 269 212 1 36 SER H 1 36 SER HBx 1.0 1.5 2.7 270 213 1 33 SER HA 1 36 SER H 1.0 1.5 5.5 271 214 1 36 SER H 1 35 ASP HA 1.0 1.5 3.3 272 215 1 36 SER H 1 37 LEU HB3 1.0 1.5 5.5 273 215 1 36 SER H 1 37 LEU HB2 1.0 1.5 5.5 274 216 1 32 THR HG2% 1 36 SER H 1.0 1.5 6.0 275 217 1 36 SER H 1 35 ASP HB3 1.0 1.5 3.3 276 218 1 36 SER H 1 35 ASP HB2 1.0 1.5 3.3 277 219 1 36 SER H 1 34 PRO HDy 1.0 1.5 5.5 278 220 1 34 PRO HDx 1 36 SER H 1.0 1.5 5.5 279 221 1 36 SER H 1 38 ARG HBx 1.0 1.5 5.5 280 222 1 36 SER H 1 38 ARG HBy 1.0 1.5 5.5 281 223 1 36 SER H 1 37 LEU HG 1.0 1.5 5.5 282 224 1 38 ARG H 1 37 LEU H 1.0 1.5 2.7 283 225 1 37 LEU H 1 39 ASP H 1.0 1.5 4.0 284 226 1 37 LEU H 1 34 PRO HA 1.0 1.5 3.3 285 227 1 37 LEU H 1 36 SER HBx 1.0 1.5 3.3 286 227 1 37 LEU H 1 36 SER HBy 1.0 1.5 3.3 287 228 1 37 LEU H 1 33 SER HA 1.0 1.5 5.5 288 229 1 37 LEU H 1 35 ASP HB3 1.0 1.5 5.5 289 230 1 37 LEU H 1 35 ASP HB2 1.0 1.5 5.5 290 231 1 37 LEU H 1 37 LEU HB3 1.0 1.5 2.7 291 232 1 37 LEU H 1 37 LEU HB2 1.0 1.5 3.3 292 233 1 37 LEU H 1 34 PRO HBx 1.0 1.5 5.5 293 234 1 37 LEU H 1 34 PRO HBy 1.0 1.5 5.5 294 235 1 37 LEU H 1 37 LEU HD2% 1.0 1.5 5.5 295 236 1 32 THR HG2% 1 37 LEU H 1.0 1.5 5.5 296 237 1 52 VAL HG2% 1 37 LEU H 1.0 1.5 5.5 297 238 1 37 LEU H 1 37 LEU HG 1.0 1.5 3.3 298 239 1 38 ARG H 1 39 ASP H 1.0 1.5 2.7 299 240 1 38 ARG H 1 38 ARG HA 1.0 1.5 2.7 300 241 1 38 ARG H 1 38 ARG HBx 1.0 1.5 2.7 301 241 1 38 ARG H 1 38 ARG HBy 1.0 1.5 2.7 302 242 1 38 ARG H 1 38 ARG HGy 1.0 1.5 4.0 303 242 1 38 ARG H 1 38 ARG HGx 1.0 1.5 4.0 304 243 1 38 ARG H 1 38 ARG HE 1.0 1.5 5.5 305 244 1 38 ARG H 1 37 LEU HD1% 1.0 1.5 5.5 306 245 1 38 ARG H 1 47 ILE HD1% 1.0 1.5 5.5 307 246 1 38 ARG H 1 34 PRO HA 1.0 1.5 4.0 308 247 1 39 ASP H 1 39 ASP HA 1.0 1.5 2.7 309 248 1 39 ASP H 1 39 ASP HBx 1.0 1.5 2.7 310 248 1 39 ASP H 1 39 ASP HBy 1.0 1.5 2.7 311 249 1 39 ASP H 1 40 TYR HB2 1.0 1.5 5.5 312 249 1 39 ASP H 1 40 TYR HB3 1.0 1.5 5.5 313 250 1 39 ASP H 1 35 ASP HB3 1.0 1.5 5.5 314 251 1 39 ASP H 1 35 ASP HB2 1.0 1.5 5.5 315 252 1 40 TYR H 1 42 SER H 1.0 1.5 4.0 316 253 1 39 ASP H 1 40 TYR H 1.0 1.5 2.7 317 254 1 40 TYR H 1 41 PHE H 1.0 1.5 2.7 318 255 1 40 TYR H 1 41 PHE HD% 1.0 1.5 4.0 319 256 1 39 ASP HA 1 40 TYR H 1.0 1.5 4.0 320 257 1 40 TYR H 1 36 SER HA 1.0 1.5 4.5 321 258 1 40 TYR H 1 40 TYR HA 1.0 1.5 2.7 322 259 1 40 TYR H 1 37 LEU HA 1.0 1.5 3.3 323 260 1 38 ARG HA 1 40 TYR H 1.0 1.5 5.5 324 261 1 40 TYR HB3 1 40 TYR H 1.0 1.5 3.3 325 262 1 40 TYR H 1 40 TYR HB2 1.0 1.5 3.3 326 263 1 40 TYR H 1 39 ASP HBx 1.0 1.5 3.3 327 264 1 39 ASP HBy 1 40 TYR H 1.0 1.5 3.3 328 265 1 41 PHE H 1 44 PHE H 1.0 1.5 5.5 329 266 1 41 PHE H 1 43 LYS H 1.0 1.5 4.0 330 267 1 40 TYR H 1 41 PHE H 1.0 1.5 2.7 331 268 1 42 SER H 1 41 PHE H 1.0 1.5 3.3 332 269 1 41 PHE H 1 37 LEU HA 1.0 1.5 4.0 333 270 1 41 PHE H 1 40 TYR HA 1.0 1.5 4.0 334 271 1 41 PHE H 1 41 PHE HB3 1.0 1.5 3.3 335 272 1 41 PHE H 1 41 PHE HB2 1.0 1.5 3.3 336 273 1 41 PHE H 1 40 TYR HB2 1.0 1.5 3.3 337 273 1 40 TYR HB3 1 41 PHE H 1.0 1.5 3.3 338 274 1 41 PHE H 1 37 LEU HB3 1.0 1.5 6.0 339 274 1 37 LEU HB2 1 41 PHE H 1.0 1.5 6.0 340 275 1 41 PHE H 1 38 ARG HGy 1.0 1.5 6.0 341 275 1 38 ARG HGx 1 41 PHE H 1.0 1.5 6.0 342 276 1 47 ILE HD1% 1 41 PHE H 1.0 1.5 3.3 343 277 1 42 SER H 1 45 GLY H 1.0 1.5 5.5 344 278 1 38 ARG H 1 42 SER H 1.0 1.5 5.5 345 279 1 40 TYR H 1 42 SER H 1.0 1.5 4.0 346 280 1 40 TYR H 1 42 SER H 1.0 1.5 4.0 347 281 1 42 SER H 1 43 LYS H 1.0 1.5 2.7 348 282 1 42 SER H 1 44 PHE H 1.0 1.5 5.5 349 283 1 39 ASP HA 1 42 SER H 1.0 1.5 4.0 350 284 1 42 SER H 1 42 SER HBx 1.0 1.5 3.3 351 284 1 42 SER H 1 42 SER HBy 1.0 1.5 3.3 352 285 1 38 ARG HA 1 42 SER H 1.0 1.5 4.0 353 286 1 42 SER H 1 41 PHE HB3 1.0 1.5 4.0 354 287 1 42 SER H 1 41 PHE HB2 1.0 1.5 4.0 355 288 1 40 TYR HB3 1 42 SER H 1.0 1.5 5.5 356 289 1 42 SER H 1 40 TYR HB2 1.0 1.5 5.5 357 290 1 42 SER H 1 43 LYS HGx 1.0 1.5 5.5 358 291 1 42 SER H 1 43 LYS HGy 1.0 1.5 5.5 359 292 1 42 SER H 1 47 ILE HG1y 1.0 1.5 5.5 360 292 1 42 SER H 1 47 ILE HG1x 1.0 1.5 5.5 361 293 1 42 SER H 1 47 ILE HB 1.0 1.5 5.5 362 294 1 42 SER H 1 43 LYS HBx 1.0 1.5 5.5 363 295 1 42 SER H 1 43 LYS HBy 1.0 1.5 5.5 364 296 1 47 ILE HD1% 1 42 SER H 1.0 1.5 3.3 365 297 1 44 PHE H 1 43 LYS H 1.0 1.5 2.7 366 298 1 40 TYR H 1 43 LYS H 1.0 1.5 5.5 367 299 1 43 LYS H 1 43 LYS HA 1.0 1.5 2.7 368 300 1 43 LYS H 1 42 SER HBx 1.0 1.5 4.0 369 300 1 43 LYS H 1 42 SER HBy 1.0 1.5 4.0 370 301 1 43 LYS H 1 44 PHE HB3 1.0 1.5 5.5 371 301 1 43 LYS H 1 44 PHE HB2 1.0 1.5 5.5 372 302 1 43 LYS H 1 43 LYS HBx 1.0 1.5 2.7 373 302 1 43 LYS H 1 43 LYS HBy 1.0 1.5 2.7 374 303 1 43 LYS H 1 43 LYS HGx 1.0 1.5 3.3 375 304 1 43 LYS H 1 43 LYS HGy 1.0 1.5 3.3 376 305 1 47 ILE HD1% 1 43 LYS H 1.0 1.5 3.3 377 306 1 44 PHE H 1 45 GLY H 1.0 1.5 2.7 378 307 1 44 PHE H 1 44 PHE HB3 1.0 1.5 2.7 379 307 1 44 PHE H 1 44 PHE HB2 1.0 1.5 2.7 380 308 1 44 PHE H 1 43 LYS HBx 1.0 1.5 3.3 381 308 1 44 PHE H 1 43 LYS HBy 1.0 1.5 3.3 382 309 1 47 ILE HD1% 1 44 PHE H 1.0 1.5 5.5 383 310 1 44 PHE H 1 78 VAL HG2% 1.0 1.5 5.5 384 311 1 45 GLY H 1 46 GLU H 1.0 1.5 4.0 385 312 1 43 LYS H 1 45 GLY H 1.0 1.5 4.0 386 313 1 45 GLY H 1 47 ILE H 1.0 1.5 6.0 387 314 1 45 GLY H 1 47 ILE HG1y 1.0 1.5 5.5 388 314 1 45 GLY H 1 47 ILE HG1x 1.0 1.5 5.5 389 315 1 47 ILE HD1% 1 45 GLY H 1.0 1.5 5.5 390 316 1 45 GLY H 1 44 PHE HB3 1.0 1.5 3.3 391 316 1 45 GLY H 1 44 PHE HB2 1.0 1.5 3.3 392 317 1 45 GLY H 1 41 PHE HB3 1.0 1.5 5.5 393 317 1 45 GLY H 1 41 PHE HB2 1.0 1.5 5.5 394 318 1 45 GLY H 1 41 PHE HA 1.0 1.5 5.5 395 319 1 45 GLY H 1 45 GLY HAx 1.0 1.5 2.7 396 320 1 45 GLY H 1 45 GLY HAy 1.0 1.5 2.7 397 321 1 46 GLU H 1 47 ILE H 1.0 1.5 4.0 398 322 1 46 GLU H 1 71 ASP H 1.0 1.5 5.5 399 323 1 46 GLU H 1 70 ALA H 1.0 1.5 5.5 400 324 1 46 GLU H 1 42 SER HA 1.0 1.5 5.5 401 325 1 46 GLU H 1 46 GLU HA 1.0 1.5 2.7 402 326 1 46 GLU H 1 45 GLY HAx 1.0 1.5 2.7 403 327 1 46 GLU H 1 45 GLY HAy 1.0 1.5 2.7 404 328 1 46 GLU H 1 46 GLU HGy 1.0 1.5 4.0 405 328 1 46 GLU H 1 46 GLU HGx 1.0 1.5 4.0 406 329 1 46 GLU H 1 46 GLU HBx 1.0 1.5 2.7 407 330 1 46 GLU H 1 46 GLU HBy 1.0 1.5 2.7 408 331 1 47 ILE H 1 46 GLU HA 1.0 1.5 2.7 409 332 1 47 ILE H 1 46 GLU HBx 1.0 1.5 4.0 410 332 1 47 ILE H 1 46 GLU HBy 1.0 1.5 4.0 411 333 1 47 ILE H 1 46 GLU HGx 1.0 1.5 2.7 412 334 1 47 ILE H 1 46 GLU HGy 1.0 1.5 2.7 413 335 1 47 ILE HB 1 47 ILE H 1.0 1.5 2.7 414 336 1 47 ILE H 1 47 ILE HG1y 1.0 1.5 2.7 415 337 1 47 ILE H 1 47 ILE HG2% 1.0 1.5 5.5 416 338 1 47 ILE HD1% 1 47 ILE H 1.0 1.5 5.5 417 339 1 47 ILE H 1 70 ALA HB% 1.0 1.5 5.5 418 340 1 70 ALA H 1 48 ARG H 1.0 1.5 2.7 419 341 1 48 ARG H 1 68 THR H 1.0 1.5 5.5 420 342 1 48 ARG H 1 49 GLU H 1.0 1.5 2.7 421 343 1 48 ARG H 1 47 ILE HA 1.0 1.5 2.7 422 344 1 48 ARG H 1 48 ARG HDx 1.0 1.5 5.5 423 344 1 48 ARG H 1 48 ARG HDy 1.0 1.5 5.5 424 345 1 48 ARG H 1 68 THR HG2% 1.0 1.5 4.0 425 346 1 48 ARG H 1 49 GLU HBy 1.0 1.5 5.5 426 346 1 48 ARG H 1 49 GLU HBx 1.0 1.5 5.5 427 347 1 47 ILE HB 1 48 ARG H 1.0 1.5 4.0 428 348 1 47 ILE HG2% 1 48 ARG H 1.0 1.5 2.7 429 349 1 48 ARG H 1 48 ARG HBy 1.0 1.5 2.7 430 350 1 48 ARG H 1 48 ARG HBx 1.0 1.5 2.7 431 351 1 48 ARG H 1 48 ARG HGx 1.0 1.5 5.5 432 351 1 48 ARG H 1 48 ARG HGy 1.0 1.5 5.5 433 352 1 48 ARG H 1 47 ILE HG1y 1.0 1.5 5.5 434 353 1 70 ALA H 1 49 GLU H 1.0 1.5 5.5 435 354 1 69 PHE H 1 49 GLU H 1.0 1.5 5.5 436 355 1 68 THR H 1 49 GLU H 1.0 1.5 3.3 437 356 1 49 GLU H 1 50 CYS H 1.0 1.5 4.0 438 357 1 49 GLU H 1 68 THR HA 1.0 1.5 5.5 439 358 1 49 GLU H 1 68 THR HB 1.0 1.5 2.7 440 359 1 49 GLU H 1 50 CYS HBy 1.0 1.5 5.5 441 359 1 49 GLU H 1 50 CYS HBx 1.0 1.5 5.5 442 360 1 49 GLU H 1 49 GLU HBy 1.0 1.5 3.3 443 361 1 49 GLU H 1 49 GLU HBx 1.0 1.5 3.3 444 362 1 49 GLU H 1 49 GLU HGx 1.0 1.5 5.5 445 362 1 49 GLU H 1 49 GLU HGy 1.0 1.5 5.5 446 363 1 49 GLU H 1 48 ARG HBy 1.0 1.5 3.3 447 364 1 49 GLU H 1 48 ARG HBx 1.0 1.5 3.3 448 365 1 49 GLU H 1 48 ARG HGx 1.0 1.5 4.0 449 365 1 49 GLU H 1 48 ARG HGy 1.0 1.5 4.0 450 366 1 49 GLU H 1 47 ILE HG1y 1.0 1.5 5.5 451 367 1 47 ILE HG2% 1 49 GLU H 1.0 1.5 2.7 452 368 1 49 GLU H 1 67 VAL HG1% 1.0 1.5 4.0 453 369 1 49 GLU H 1 68 THR HG2% 1.0 1.5 4.0 454 370 1 50 CYS H 1 51 MET H 1.0 1.5 4.0 455 371 1 68 THR H 1 50 CYS H 1.0 1.5 5.5 456 372 1 38 ARG HE 1 50 CYS H 1.0 1.5 5.5 457 373 1 50 CYS H 1 50 CYS HBy 1.0 1.5 3.3 458 373 1 50 CYS H 1 50 CYS HBx 1.0 1.5 3.3 459 374 1 50 CYS H 1 49 GLU HBy 1.0 1.5 4.0 460 375 1 49 GLU HBx 1 50 CYS H 1.0 1.5 4.0 461 376 1 47 ILE HG2% 1 50 CYS H 1.0 1.5 5.5 462 377 1 51 MET H 1 50 CYS HA 1.0 1.5 2.7 463 378 1 51 MET H 1 50 CYS HBy 1.0 1.5 3.3 464 378 1 50 CYS HBx 1 51 MET H 1.0 1.5 3.3 465 379 1 51 MET H 1 51 MET HGx 1.0 1.5 5.5 466 379 1 51 MET H 1 51 MET HGy 1.0 1.5 5.5 467 380 1 51 MET H 1 51 MET HBx 1.0 1.5 3.3 468 381 1 51 MET H 1 51 MET HBy 1.0 1.5 3.3 469 382 1 67 VAL HG1% 1 51 MET H 1.0 1.5 6.0 470 383 1 37 LEU HD1% 1 51 MET H 1.0 1.5 5.5 471 384 1 67 VAL HG2% 1 51 MET H 1.0 1.5 5.5 472 385 1 52 VAL H 1 53 MET H 1.0 1.5 4.0 473 386 1 51 MET H 1 52 VAL H 1.0 1.5 4.0 474 387 1 52 VAL H 1 52 VAL HA 1.0 1.5 3.3 475 388 1 52 VAL H 1 65 GLY HA2 1.0 1.5 5.5 476 388 1 52 VAL H 1 65 GLY HA3 1.0 1.5 5.5 477 389 1 52 VAL H 1 51 MET HGx 1.0 1.5 3.3 478 389 1 51 MET HGy 1 52 VAL H 1.0 1.5 3.3 479 390 1 52 VAL H 1 52 VAL HB 1.0 1.5 2.7 480 391 1 52 VAL H 1 51 MET HBx 1.0 1.5 4.0 481 392 1 52 VAL H 1 51 MET HBy 1.0 1.5 4.0 482 393 1 52 VAL H 1 34 PRO HBy 1.0 1.5 2.7 483 393 1 34 PRO HBx 1 52 VAL H 1.0 1.5 2.7 484 394 1 52 VAL H 1 34 PRO HDy 1.0 1.5 4.0 485 394 1 34 PRO HDx 1 52 VAL H 1.0 1.5 4.0 486 395 1 52 VAL HG2% 1 52 VAL H 1.0 1.5 2.7 487 396 1 66 PHE H 1 53 MET H 1.0 1.5 5.5 488 397 1 53 MET H 1 52 VAL HA 1.0 1.5 2.7 489 398 1 53 MET H 1 52 VAL HB 1.0 1.5 4.0 490 399 1 52 VAL HG1% 1 53 MET H 1.0 1.5 2.7 491 400 1 52 VAL HG2% 1 53 MET H 1.0 1.5 4.0 492 401 1 28 LEU HD1% 1 53 MET H 1.0 1.5 5.5 493 402 1 53 MET H 1 53 MET HBy 1.0 1.5 3.3 494 402 1 53 MET H 1 53 MET HBx 1.0 1.5 3.3 495 403 1 53 MET H 1 53 MET HGx 1.0 1.5 3.3 496 403 1 53 MET H 1 53 MET HGy 1.0 1.5 3.3 497 404 1 53 MET H 1 54 ARG HBy 1.0 1.5 5.5 498 404 1 53 MET H 1 54 ARG HBx 1.0 1.5 5.5 499 405 1 55 ASP H 1 59 LYS H 1.0 1.5 4.0 500 406 1 55 ASP H 1 58 THR H 1.0 1.5 5.5 501 407 1 55 ASP H 1 57 THR H 1.0 1.5 5.5 502 408 1 55 ASP H 1 61 SER H 1.0 1.5 5.5 503 409 1 55 ASP H 1 56 PRO HDx 1.0 1.5 4.0 504 409 1 55 ASP H 1 56 PRO HDy 1.0 1.5 4.0 505 410 1 55 ASP H 1 55 ASP HB3 1.0 1.5 3.3 506 411 1 55 ASP H 1 55 ASP HB2 1.0 1.5 3.3 507 412 1 55 ASP H 1 54 ARG HBy 1.0 1.5 3.3 508 412 1 54 ARG HBx 1 55 ASP H 1.0 1.5 3.3 509 413 1 55 ASP H 1 54 ARG HGy 1.0 1.5 4.0 510 413 1 55 ASP H 1 54 ARG HGx 1.0 1.5 4.0 511 414 1 55 ASP H 1 55 ASP HA 1.0 1.5 2.7 512 415 1 59 LYS H 1 57 THR H 1.0 1.5 3.3 513 416 1 57 THR H 1 57 THR HA 1.0 1.5 2.7 514 417 1 57 THR H 1 58 THR HA 1.0 1.5 5.5 515 418 1 57 THR H 1 56 PRO HDx 1.0 1.5 3.3 516 418 1 57 THR H 1 56 PRO HDy 1.0 1.5 3.3 517 419 1 57 THR H 1 59 LYS HA 1.0 1.5 5.5 518 420 1 57 THR H 1 55 ASP HB3 1.0 1.5 4.0 519 421 1 57 THR H 1 55 ASP HB2 1.0 1.5 4.0 520 422 1 57 THR H 1 57 THR HG2% 1.0 1.5 2.7 521 423 1 58 THR H 1 57 THR H 1.0 1.5 2.7 522 424 1 58 THR H 1 60 ARG H 1.0 1.5 4.0 523 425 1 58 THR H 1 58 THR HA 1.0 1.5 3.3 524 426 1 58 THR H 1 55 ASP HB3 1.0 1.5 4.0 525 427 1 58 THR H 1 55 ASP HB2 1.0 1.5 4.0 526 428 1 58 THR H 1 58 THR HG2% 1.0 1.5 2.7 527 429 1 58 THR H 1 57 THR HG2% 1.0 1.5 4.0 528 430 1 59 LYS H 1 58 THR HA 1.0 1.5 3.3 529 431 1 59 LYS H 1 59 LYS HA 1.0 1.5 2.7 530 432 1 59 LYS H 1 59 LYS HBy 1.0 1.5 3.3 531 432 1 59 LYS H 1 59 LYS HBx 1.0 1.5 3.3 532 433 1 59 LYS H 1 59 LYS HGx 1.0 1.5 2.7 533 433 1 59 LYS H 1 59 LYS HGy 1.0 1.5 2.7 534 434 1 59 LYS H 1 59 LYS HDx 1.0 1.5 3.3 535 434 1 59 LYS H 1 59 LYS HDy 1.0 1.5 3.3 536 435 1 59 LYS H 1 59 LYS HEx 1.0 1.5 4.0 537 435 1 59 LYS H 1 59 LYS HEy 1.0 1.5 4.0 538 436 1 59 LYS H 1 60 ARG H 1.0 1.5 2.7 539 437 1 55 ASP H 1 60 ARG H 1.0 1.5 4.0 540 438 1 60 ARG H 1 60 ARG HBx 1.0 1.5 2.7 541 438 1 60 ARG H 1 60 ARG HBy 1.0 1.5 2.7 542 439 1 60 ARG H 1 60 ARG HGx 1.0 1.5 2.7 543 439 1 60 ARG H 1 60 ARG HGy 1.0 1.5 2.7 544 440 1 60 ARG H 1 59 LYS HBy 1.0 1.5 4.0 545 440 1 60 ARG H 1 59 LYS HBx 1.0 1.5 4.0 546 441 1 60 ARG H 1 59 LYS HGx 1.0 1.5 4.0 547 441 1 60 ARG H 1 59 LYS HGy 1.0 1.5 4.0 548 442 1 60 ARG H 1 55 ASP HB3 1.0 1.5 3.3 549 442 1 60 ARG H 1 55 ASP HB2 1.0 1.5 3.3 550 443 1 60 ARG H 1 54 ARG HBy 1.0 1.5 5.5 551 443 1 54 ARG HBx 1 60 ARG H 1.0 1.5 5.5 552 444 1 61 SER H 1 61 SER HBx 1.0 1.5 2.7 553 444 1 61 SER H 1 61 SER HBy 1.0 1.5 2.7 554 445 1 61 SER H 1 60 ARG HBx 1.0 1.5 4.0 555 445 1 61 SER H 1 60 ARG HBy 1.0 1.5 4.0 556 446 1 63 GLY H 1 62 ARG H 1.0 1.5 2.7 557 447 1 63 GLY H 1 61 SER H 1.0 1.5 5.5 558 448 1 64 PHE H 1 63 GLY H 1.0 1.5 2.7 559 449 1 63 GLY H 1 61 SER HA 1.0 1.5 4.0 560 450 1 63 GLY H 1 62 ARG HA 1.0 1.5 3.3 561 451 1 63 GLY H 1 63 GLY HAx 1.0 1.5 2.7 562 451 1 63 GLY H 1 63 GLY HAy 1.0 1.5 2.7 563 452 1 63 GLY H 1 62 ARG HBy 1.0 1.5 4.0 564 452 1 63 GLY H 1 62 ARG HBx 1.0 1.5 4.0 565 453 1 63 GLY H 1 62 ARG HGy 1.0 1.5 5.5 566 453 1 63 GLY H 1 62 ARG HGx 1.0 1.5 5.5 567 454 1 65 GLY H 1 66 PHE H 1.0 1.5 4.0 568 455 1 65 GLY H 1 53 MET H 1.0 1.5 5.5 569 456 1 65 GLY H 1 64 PHE HD% 1.0 1.5 3.3 570 457 1 65 GLY H 1 24 PHE HE% 1.0 1.5 4.0 571 458 1 65 GLY H 1 64 PHE HA 1.0 1.5 2.7 572 459 1 65 GLY H 1 64 PHE HBx 1.0 1.5 3.3 573 459 1 65 GLY H 1 64 PHE HBy 1.0 1.5 3.3 574 460 1 65 GLY H 1 65 GLY HA3 1.0 1.5 2.7 575 461 1 65 GLY H 1 65 GLY HA2 1.0 1.5 2.7 576 462 1 65 GLY H 1 25 ILE HB 1.0 1.5 3.3 577 463 1 65 GLY H 1 25 ILE HG13 1.0 1.5 5.5 578 463 1 25 ILE HG12 1 65 GLY H 1.0 1.5 5.5 579 464 1 65 GLY H 1 25 ILE HG2% 1.0 1.5 5.5 580 465 1 65 GLY H 1 28 LEU HD1% 1.0 1.5 3.3 581 466 1 65 GLY H 1 28 LEU HD2% 1.0 1.5 5.5 582 467 1 65 GLY H 1 37 LEU HD2% 1.0 1.5 5.5 583 468 1 67 VAL H 1 66 PHE H 1.0 1.5 4.0 584 469 1 66 PHE H 1 51 MET H 1.0 1.5 3.3 585 470 1 66 PHE HA 1 66 PHE H 1.0 1.5 3.3 586 471 1 66 PHE H 1 65 GLY HA3 1.0 1.5 2.7 587 472 1 66 PHE H 1 65 GLY HA2 1.0 1.5 2.7 588 473 1 66 PHE H 1 52 VAL HA 1.0 1.5 3.5 589 474 1 66 PHE H 1 66 PHE HB3 1.0 1.5 3.3 590 475 1 66 PHE H 1 66 PHE HB2 1.0 1.5 2.7 591 476 1 66 PHE H 1 51 MET HBx 1.0 1.5 4.0 592 476 1 66 PHE H 1 51 MET HBy 1.0 1.5 4.0 593 477 1 66 PHE H 1 37 LEU HD1% 1.0 1.5 4.0 594 478 1 66 PHE H 1 28 LEU HD1% 1.0 1.5 5.5 595 479 1 66 PHE H 1 67 VAL HB 1.0 1.5 6.0 596 480 1 66 PHE H 1 50 CYS HA 1.0 1.5 5.5 597 481 1 66 PHE H 1 51 MET HGx 1.0 1.5 4.0 598 481 1 66 PHE H 1 51 MET HGy 1.0 1.5 4.0 599 482 1 67 VAL H 1 68 THR H 1.0 1.5 5.5 600 483 1 69 PHE H 1 67 VAL H 1.0 1.5 5.5 601 484 1 67 VAL H 1 66 PHE HA 1.0 1.5 2.7 602 485 1 67 VAL H 1 67 VAL HG2% 1.0 1.5 3.3 603 486 1 67 VAL H 1 67 VAL HG1% 1.0 1.5 4.5 604 487 1 67 VAL H 1 66 PHE HB3 1.0 1.5 2.7 605 487 1 67 VAL H 1 66 PHE HB2 1.0 1.5 2.7 606 488 1 67 VAL H 1 22 LYS HDx 1.0 1.5 5.5 607 488 1 22 LYS HDy 1 67 VAL H 1.0 1.5 5.5 608 489 1 67 VAL H 1 22 LYS HGx 1.0 1.5 4.0 609 489 1 22 LYS HGy 1 67 VAL H 1.0 1.5 4.0 610 490 1 68 THR H 1 67 VAL HA 1.0 1.5 2.7 611 491 1 68 THR H 1 49 GLU HA 1.0 1.5 5.5 612 492 1 68 THR H 1 68 THR HB 1.0 1.5 2.7 613 493 1 68 THR H 1 50 CYS HBy 1.0 1.5 5.5 614 494 1 68 THR H 1 50 CYS HBx 1.0 1.5 4.0 615 495 1 68 THR H 1 67 VAL HB 1.0 1.5 4.0 616 496 1 68 THR H 1 68 THR HG2% 1.0 1.5 4.0 617 497 1 47 ILE HG2% 1 68 THR H 1.0 1.5 4.0 618 498 1 67 VAL HG2% 1 68 THR H 1.0 1.5 4.0 619 499 1 68 THR H 1 67 VAL HG1% 1.0 1.5 2.7 620 500 1 69 PHE H 1 67 VAL H 1.0 1.5 6.0 621 501 1 69 PHE H 1 70 ALA H 1.0 1.5 5.5 622 502 1 69 PHE H 1 69 PHE HD% 1.0 1.5 2.7 623 503 1 69 PHE H 1 68 THR HA 1.0 1.5 2.7 624 504 1 69 PHE H 1 69 PHE HA 1.0 1.5 2.7 625 505 1 69 PHE H 1 47 ILE HG2% 1.0 1.5 5.5 626 506 1 69 PHE H 1 69 PHE HB2 1.0 1.5 3.3 627 507 1 69 PHE H 1 69 PHE HB3 1.0 1.5 3.3 628 508 1 69 PHE H 1 48 ARG HBy 1.0 1.5 5.5 629 508 1 69 PHE H 1 48 ARG HBx 1.0 1.5 5.5 630 509 1 69 PHE H 1 68 THR HG2% 1.0 1.5 2.7 631 510 1 69 PHE H 1 67 VAL HG1% 1.0 1.5 4.0 632 511 1 69 PHE H 1 23 MET HGy 1.0 1.5 5.5 633 511 1 69 PHE H 1 23 MET HGx 1.0 1.5 5.5 634 512 1 69 PHE H 1 22 LYS HBx 1.0 1.5 5.5 635 512 1 22 LYS HBy 1 69 PHE H 1.0 1.5 5.5 636 513 1 69 PHE H 1 47 ILE HG1y 1.0 1.5 5.5 637 514 1 71 ASP H 1 70 ALA H 1.0 1.5 2.7 638 515 1 70 ALA H 1 70 ALA HA 1.0 1.5 2.7 639 516 1 70 ALA H 1 71 ASP HBx 1.0 1.5 5.5 640 516 1 70 ALA H 1 71 ASP HBy 1.0 1.5 5.5 641 517 1 70 ALA H 1 69 PHE HB3 1.0 1.5 3.3 642 517 1 70 ALA H 1 69 PHE HB2 1.0 1.5 3.3 643 518 1 70 ALA H 1 70 ALA HB% 1.0 1.5 2.7 644 519 1 70 ALA H 1 47 ILE HG1y 1.0 1.5 5.5 645 519 1 47 ILE HG1x 1 70 ALA H 1.0 1.5 5.5 646 520 1 47 ILE HB 1 70 ALA H 1.0 1.5 6.0 647 521 1 70 ALA H 1 48 ARG HBy 1.0 1.5 5.5 648 521 1 70 ALA H 1 48 ARG HBx 1.0 1.5 5.5 649 522 1 71 ASP H 1 71 ASP HA 1.0 1.5 2.7 650 523 1 71 ASP H 1 71 ASP HBx 1.0 1.5 2.7 651 524 1 71 ASP H 1 71 ASP HBy 1.0 1.5 2.7 652 525 1 71 ASP H 1 70 ALA HA 1.0 1.5 2.7 653 526 1 71 ASP H 1 70 ALA HB% 1.0 1.5 3.3 654 527 1 71 ASP H 1 70 ALA HA 1.0 1.5 3.3 655 528 1 71 ASP H 1 69 PHE HB3 1.0 1.5 2.7 656 529 1 71 ASP H 1 69 PHE HB2 1.0 1.5 4.0 657 530 1 71 ASP H 1 69 PHE HD% 1.0 1.5 5.5 658 531 1 71 ASP H 1 73 ALA H 1.0 1.5 5.5 659 532 1 73 ALA H 1 75 VAL H 1.0 1.5 4.0 660 533 1 71 ASP HA 1 73 ALA H 1.0 1.5 4.0 661 534 1 73 ALA H 1 73 ALA HA 1.0 1.5 2.7 662 535 1 73 ALA H 1 72 PRO HDy 1.0 1.5 2.7 663 535 1 73 ALA H 1 72 PRO HDx 1.0 1.5 2.7 664 536 1 73 ALA H 1 72 PRO HB2 1.0 1.5 3.3 665 537 1 73 ALA H 1 72 PRO HB3 1.0 1.5 4.0 666 538 1 73 ALA H 1 71 ASP HBx 1.0 1.5 4.0 667 539 1 71 ASP HBy 1 73 ALA H 1.0 1.5 4.0 668 540 1 73 ALA H 1 74 SER HB2 1.0 1.5 5.5 669 540 1 73 ALA H 1 74 SER HB3 1.0 1.5 5.5 670 541 1 73 ALA H 1 73 ALA HB% 1.0 1.5 2.7 671 542 1 73 ALA H 1 72 PRO HGx 1.0 1.5 4.0 672 542 1 73 ALA H 1 72 PRO HGy 1.0 1.5 4.0 673 543 1 71 ASP H 1 74 SER H 1.0 1.5 4.5 674 544 1 73 ALA H 1 74 SER H 1.0 1.5 2.7 675 545 1 75 VAL H 1 74 SER H 1.0 1.5 2.7 676 546 1 74 SER H 1 76 ASP H 1.0 1.5 4.0 677 547 1 73 ALA HA 1 74 SER H 1.0 1.5 3.3 678 548 1 74 SER H 1 72 PRO HA 1.0 1.5 4.0 679 549 1 74 SER H 1 75 VAL HA 1.0 1.5 5.5 680 550 1 74 SER HB3 1 74 SER H 1.0 1.5 3.3 681 551 1 74 SER H 1 74 SER HB2 1.0 1.5 2.7 682 552 1 74 SER H 1 71 ASP HBx 1.0 1.5 3.3 683 552 1 71 ASP HBy 1 74 SER H 1.0 1.5 3.3 684 553 1 74 SER H 1 77 LYS HDx 1.0 1.5 5.5 685 553 1 74 SER H 1 77 LYS HDy 1.0 1.5 5.5 686 554 1 74 SER H 1 72 PRO HB2 1.0 1.5 6.0 687 554 1 74 SER H 1 72 PRO HB3 1.0 1.5 6.0 688 555 1 75 VAL HG2% 1 74 SER H 1.0 1.5 5.5 689 556 1 73 ALA HB% 1 74 SER H 1.0 1.5 3.3 690 557 1 71 ASP HA 1 74 SER H 1.0 1.5 5.5 691 558 1 71 ASP H 1 75 VAL H 1.0 1.5 5.5 692 559 1 75 VAL H 1 76 ASP H 1.0 1.5 2.7 693 560 1 75 VAL H 1 74 SER HA 1.0 1.5 3.3 694 561 1 75 VAL H 1 75 VAL HA 1.0 1.5 2.7 695 562 1 75 VAL H 1 73 ALA HA 1.0 1.5 5.5 696 563 1 75 VAL H 1 76 ASP HA 1.0 1.5 5.5 697 564 1 75 VAL H 1 69 PHE HB3 1.0 1.5 4.0 698 564 1 69 PHE HB2 1 75 VAL H 1.0 1.5 4.0 699 565 1 75 VAL H 1 76 ASP HBx 1.0 1.5 5.5 700 565 1 75 VAL H 1 76 ASP HBy 1.0 1.5 5.5 701 566 1 75 VAL H 1 77 LYS HGx 1.0 1.5 5.5 702 566 1 75 VAL H 1 77 LYS HGy 1.0 1.5 5.5 703 567 1 75 VAL H 1 73 ALA HB% 1.0 1.5 5.5 704 568 1 75 VAL H 1 75 VAL HB 1.0 1.5 2.7 705 569 1 75 VAL H 1 72 PRO HB3 1.0 1.5 5.5 706 570 1 75 VAL H 1 72 PRO HB2 1.0 1.5 5.5 707 571 1 75 VAL HG2% 1 75 VAL H 1.0 1.5 2.7 708 572 1 75 VAL HG1% 1 75 VAL H 1.0 1.5 4.0 709 573 1 78 VAL HG2% 1 75 VAL H 1.0 1.5 5.5 710 574 1 76 ASP H 1 79 LEU H 1.0 1.5 5.5 711 575 1 73 ALA H 1 76 ASP H 1.0 1.5 5.5 712 576 1 76 ASP H 1 77 LYS H 1.0 1.5 2.7 713 577 1 76 ASP H 1 76 ASP HA 1.0 1.5 2.7 714 578 1 73 ALA HA 1 76 ASP H 1.0 1.5 3.3 715 579 1 76 ASP H 1 72 PRO HA 1.0 1.5 5.5 716 580 1 76 ASP H 1 74 SER HA 1.0 1.5 4.0 717 581 1 76 ASP H 1 75 VAL HA 1.0 1.5 3.3 718 582 1 76 ASP H 1 74 SER HB2 1.0 1.5 5.5 719 582 1 74 SER HB3 1 76 ASP H 1.0 1.5 5.5 720 583 1 76 ASP H 1 76 ASP HBx 1.0 1.5 2.7 721 584 1 76 ASP H 1 76 ASP HBy 1.0 1.5 3.3 722 585 1 76 ASP H 1 75 VAL HB 1.0 1.5 2.7 723 586 1 75 VAL HG1% 1 76 ASP H 1.0 1.5 4.0 724 587 1 75 VAL HG2% 1 76 ASP H 1.0 1.5 4.0 725 588 1 78 VAL HG2% 1 76 ASP H 1.0 1.5 5.5 726 589 1 73 ALA HB% 1 76 ASP H 1.0 1.5 5.5 727 590 1 74 SER H 1 77 LYS H 1.0 1.5 5.5 728 591 1 77 LYS H 1 78 VAL H 1.0 1.5 2.7 729 592 1 79 LEU H 1 77 LYS H 1.0 1.5 4.0 730 593 1 77 LYS H 1 77 LYS HA 1.0 1.5 2.7 731 594 1 74 SER HA 1 77 LYS H 1.0 1.5 3.3 732 595 1 75 VAL HA 1 77 LYS H 1.0 1.5 5.5 733 596 1 76 ASP HA 1 77 LYS H 1.0 1.5 3.3 734 597 1 77 LYS H 1 77 LYS HEx 1.0 1.5 5.5 735 597 1 77 LYS H 1 77 LYS HEy 1.0 1.5 5.5 736 598 1 77 LYS H 1 74 SER HB2 1.0 1.5 5.5 737 598 1 74 SER HB3 1 77 LYS H 1.0 1.5 5.5 738 599 1 77 LYS H 1 76 ASP HBx 1.0 1.5 3.3 739 600 1 76 ASP HBy 1 77 LYS H 1.0 1.5 3.3 740 601 1 77 LYS H 1 77 LYS HBx 1.0 1.5 2.7 741 601 1 77 LYS H 1 77 LYS HBy 1.0 1.5 2.7 742 602 1 75 VAL HB 1 77 LYS H 1.0 1.5 5.5 743 603 1 77 LYS H 1 77 LYS HGx 1.0 1.5 2.7 744 604 1 77 LYS HGy 1 77 LYS H 1.0 1.5 3.3 745 605 1 78 VAL HG2% 1 77 LYS H 1.0 1.5 5.5 746 606 1 79 LEU H 1 78 VAL H 1.0 1.5 2.7 747 607 1 76 ASP H 1 78 VAL H 1.0 1.5 4.0 748 608 1 75 VAL HA 1 78 VAL H 1.0 1.5 3.3 749 609 1 78 VAL H 1 78 VAL HA 1.0 1.5 2.7 750 610 1 78 VAL HG2% 1 78 VAL H 1.0 1.5 2.7 751 611 1 78 VAL H 1 77 LYS HA 1.0 1.5 3.3 752 612 1 74 SER HA 1 78 VAL H 1.0 1.5 4.0 753 613 1 79 LEU H 1 79 LEU HBx 1.0 1.5 2.7 754 614 1 79 LEU H 1 79 LEU HG 1.0 1.5 4.0 755 615 1 79 LEU H 1 79 LEU HBy 1.0 1.5 2.7 756 616 1 79 LEU H 1 79 LEU HD1% 1.0 1.5 5.5 757 617 1 79 LEU H 1 79 LEU HD2% 1.0 1.5 5.5 758 618 1 79 LEU H 1 80 GLY H 1.0 1.5 2.7 759 619 1 80 GLY H 1 81 GLN H 1.0 1.5 2.7 760 620 1 78 VAL H 1 80 GLY H 1.0 1.5 5.5 761 621 1 77 LYS H 1 80 GLY H 1.0 1.5 6.0 762 622 1 80 GLY H 1 78 VAL HG1% 1.0 1.5 5.5 763 623 1 78 VAL HG2% 1 80 GLY H 1.0 1.5 6.0 764 624 1 80 GLY H 1 79 LEU HA 1.0 1.5 5.5 765 625 1 80 GLY H 1 80 GLY HA3 1.0 1.5 3.3 766 626 1 80 GLY H 1 80 GLY HA2 1.0 1.5 2.7 767 627 1 79 LEU H 1 81 GLN H 1.0 1.5 4.0 768 628 1 81 GLN H 1 80 GLY HA3 1.0 1.5 3.3 769 629 1 81 GLN H 1 80 GLY HA2 1.0 1.5 3.3 770 630 1 81 GLN H 1 82 PRO HDx 1.0 1.5 4.0 771 630 1 81 GLN H 1 82 PRO HDy 1.0 1.5 4.0 772 631 1 81 GLN H 1 82 PRO HA 1.0 1.5 5.5 773 632 1 81 GLN H 1 79 LEU HBx 1.0 1.5 5.5 774 633 1 81 GLN H 1 79 LEU HBy 1.0 1.5 5.5 775 634 1 81 GLN H 1 78 VAL HG1% 1.0 1.5 5.5 776 635 1 81 GLN H 1 81 GLN HB3 1.0 1.5 3.3 777 636 1 81 GLN H 1 81 GLN HB2 1.0 1.5 2.7 778 637 1 81 GLN H 1 81 GLN HGx 1.0 1.5 2.7 779 637 1 81 GLN H 1 81 GLN HGy 1.0 1.5 2.7 780 638 1 81 GLN HE21 1 81 GLN HE22 1.0 1.5 2.7 781 639 1 81 GLN HE21 1 81 GLN HB3 1.0 1.5 3.3 782 639 1 81 GLN HE21 1 81 GLN HB2 1.0 1.5 3.3 783 640 1 81 GLN HE21 1 81 GLN HGx 1.0 1.5 2.7 784 640 1 81 GLN HGy 1 81 GLN HE21 1.0 1.5 2.7 785 641 1 83 HIS H 1 83 HIS HBy 1.0 1.5 2.7 786 642 1 83 HIS H 1 83 HIS HBx 1.0 1.5 3.3 787 643 1 83 HIS H 1 82 PRO HBy 1.0 1.5 3.3 788 643 1 83 HIS H 1 82 PRO HBx 1.0 1.5 3.3 789 644 1 84 HIS H 1 85 GLU H 1.0 1.5 4.0 790 645 1 84 HIS H 1 91 ILE H 1.0 1.5 4.0 791 646 1 84 HIS H 1 84 HIS HB2 1.0 1.5 2.7 792 647 1 84 HIS H 1 84 HIS HB3 1.0 1.5 3.3 793 648 1 84 HIS H 1 83 HIS HBy 1.0 1.5 4.0 794 648 1 84 HIS H 1 83 HIS HBx 1.0 1.5 4.0 795 649 1 84 HIS H 1 90 THR HG2% 1.0 1.5 5.5 796 650 1 85 GLU H 1 85 GLU HGx 1.0 1.5 4.0 797 650 1 85 GLU H 1 85 GLU HGy 1.0 1.5 4.0 798 651 1 86 LEU H 1 87 ASP H 1.0 1.5 4.0 799 652 1 85 GLU H 1 86 LEU H 1.0 1.5 4.0 800 653 1 91 ILE H 1 86 LEU H 1.0 1.5 4.0 801 654 1 86 LEU H 1 89 LYS H 1.0 1.5 3.3 802 655 1 86 LEU H 1 90 THR H 1.0 1.5 5.5 803 656 1 86 LEU H 1 89 LYS HA 1.0 1.5 5.5 804 657 1 86 LEU H 1 86 LEU HA 1.0 1.5 3.3 805 658 1 86 LEU H 1 87 ASP HA 1.0 1.5 5.5 806 659 1 86 LEU H 1 87 ASP HB3 1.0 1.5 5.5 807 659 1 87 ASP HB2 1 86 LEU H 1.0 1.5 5.5 808 660 1 86 LEU H 1 86 LEU HG 1.0 1.5 4.0 809 661 1 86 LEU H 1 85 GLU HGx 1.0 1.5 3.3 810 661 1 85 GLU HGy 1 86 LEU H 1.0 1.5 3.3 811 662 1 86 LEU H 1 86 LEU HB3 1.0 1.5 3.3 812 663 1 86 LEU H 1 86 LEU HB2 1.0 1.5 3.3 813 664 1 86 LEU H 1 85 GLU HBy 1.0 1.5 4.0 814 664 1 86 LEU H 1 85 GLU HBx 1.0 1.5 4.0 815 665 1 86 LEU H 1 91 ILE HD1% 1.0 1.5 5.5 816 666 1 87 ASP H 1 87 ASP HA 1.0 1.5 2.7 817 667 1 87 ASP H 1 86 LEU HA 1.0 1.5 2.7 818 668 1 87 ASP H 1 87 ASP HB3 1.0 1.5 3.3 819 669 1 87 ASP HB2 1 87 ASP H 1.0 1.5 3.3 820 670 1 86 LEU HD1% 1 87 ASP H 1.0 1.5 2.7 821 671 1 87 ASP H 1 86 LEU HB3 1.0 1.5 4.0 822 672 1 87 ASP H 1 86 LEU HB2 1.0 1.5 4.0 823 673 1 87 ASP H 1 86 LEU HG 1.0 1.5 3.3 824 674 1 87 ASP H 1 86 LEU HD2% 1.0 1.5 5.5 825 675 1 86 LEU H 1 88 SER H 1.0 1.5 4.0 826 676 1 89 LYS H 1 88 SER H 1.0 1.5 2.7 827 677 1 87 ASP H 1 88 SER H 1.0 1.5 2.7 828 678 1 87 ASP HA 1 88 SER H 1.0 1.5 3.3 829 679 1 88 SER H 1 88 SER HA 1.0 1.5 2.7 830 680 1 88 SER H 1 88 SER HBy 1.0 1.5 4.0 831 680 1 88 SER H 1 88 SER HBx 1.0 1.5 4.0 832 681 1 86 LEU HA 1 88 SER H 1.0 1.5 4.0 833 682 1 88 SER H 1 87 ASP HB3 1.0 1.5 4.0 834 683 1 87 ASP HB2 1 88 SER H 1.0 1.5 4.0 835 684 1 88 SER H 1 85 GLU HGx 1.0 1.5 3.3 836 684 1 85 GLU HGy 1 88 SER H 1.0 1.5 3.3 837 685 1 88 SER H 1 85 GLU HBy 1.0 1.5 5.5 838 685 1 85 GLU HBx 1 88 SER H 1.0 1.5 5.5 839 686 1 88 SER H 1 86 LEU HB3 1.0 1.5 6.0 840 686 1 88 SER H 1 86 LEU HB2 1.0 1.5 6.0 841 687 1 89 LYS H 1 89 LYS HGx 1.0 1.5 2.7 842 687 1 89 LYS HGy 1 89 LYS H 1.0 1.5 2.7 843 688 1 89 LYS H 1 90 THR H 1.0 1.5 4.0 844 689 1 87 ASP H 1 89 LYS H 1.0 1.5 4.0 845 690 1 89 LYS H 1 87 ASP HB3 1.0 1.5 3.3 846 690 1 87 ASP HB2 1 89 LYS H 1.0 1.5 3.3 847 691 1 89 LYS H 1 88 SER HA 1.0 1.5 3.3 848 692 1 89 LYS H 1 89 LYS HBy 1.0 1.5 4.0 849 693 1 89 LYS H 1 89 LYS HBx 1.0 1.5 4.0 850 694 1 89 LYS H 1 89 LYS HBy 1.0 1.5 3.3 851 694 1 89 LYS H 1 89 LYS HBx 1.0 1.5 3.3 852 695 1 91 ILE H 1 90 THR H 1.0 1.5 4.5 853 696 1 90 THR H 1 90 THR HB 1.0 1.5 2.7 854 697 1 91 ILE HA 1 90 THR H 1.0 1.5 5.5 855 698 1 90 THR H 1 89 LYS HBx 1.0 1.5 3.3 856 699 1 90 THR H 1 89 LYS HBy 1.0 1.5 3.3 857 700 1 90 THR H 1 89 LYS HGx 1.0 1.5 5.5 858 701 1 89 LYS HGy 1 90 THR H 1.0 1.5 5.5 859 702 1 90 THR HG2% 1 90 THR H 1.0 1.5 4.0 860 703 1 91 ILE HA 1 91 ILE H 1.0 1.5 3.3 861 704 1 91 ILE H 1 91 ILE HG2% 1.0 1.5 2.7 862 705 1 91 ILE H 1 91 ILE HB 1.0 1.5 4.0 863 706 1 91 ILE H 1 91 ILE HG13 1.0 1.5 3.3 864 707 1 91 ILE H 1 91 ILE HG12 1.0 1.5 3.3 865 708 1 91 ILE H 1 91 ILE HD1% 1.0 1.5 5.5 866 709 1 91 ILE H 1 90 THR HG2% 1.0 1.5 4.0 867 710 1 92 ASP H 1 91 ILE H 1.0 1.5 4.5 868 711 1 92 ASP H 1 27 GLY H 1.0 1.5 5.5 869 712 1 92 ASP H 1 92 ASP HA 1.0 1.5 3.3 870 713 1 92 ASP H 1 26 GLY HA3 1.0 1.5 4.0 871 714 1 92 ASP H 1 26 GLY HA2 1.0 1.5 4.0 872 715 1 92 ASP H 1 93 PRO HDy 1.0 1.5 4.0 873 715 1 92 ASP H 1 93 PRO HDx 1.0 1.5 4.0 874 716 1 92 ASP H 1 92 ASP HB3 1.0 1.5 2.7 875 717 1 92 ASP H 1 92 ASP HB2 1.0 1.5 2.7 876 718 1 92 ASP H 1 91 ILE HB 1.0 1.5 2.7 877 719 1 92 ASP H 1 91 ILE HG2% 1.0 1.5 4.0 878 720 1 92 ASP H 1 91 ILE HD1% 1.0 1.5 5.5 879 721 1 92 ASP H 1 91 ILE HG13 1.0 1.5 4.0 880 721 1 92 ASP H 1 91 ILE HG12 1.0 1.5 4.0 881 722 1 94 LYS H 1 93 PRO HA 1.0 1.5 2.7 882 723 1 94 LYS H 1 25 ILE HA 1.0 1.5 3.3 883 724 1 94 LYS H 1 95 VAL HA 1.0 1.5 5.5 884 725 1 94 LYS H 1 25 ILE HD1% 1.0 1.5 5.5 885 726 1 94 LYS H 1 25 ILE HG13 1.0 1.5 5.5 886 726 1 94 LYS H 1 25 ILE HG12 1.0 1.5 5.5 887 727 1 94 LYS H 1 25 ILE HG2% 1.0 1.5 5.5 888 728 1 94 LYS H 1 94 LYS HBx 1.0 1.5 3.3 889 728 1 94 LYS H 1 94 LYS HBy 1.0 1.5 3.3 890 729 1 94 LYS H 1 94 LYS HGx 1.0 1.5 2.7 891 729 1 94 LYS H 1 94 LYS HGy 1.0 1.5 2.7 892 730 1 94 LYS H 1 94 LYS HEx 1.0 1.5 5.5 893 730 1 94 LYS H 1 94 LYS HEy 1.0 1.5 5.5 894 731 1 94 LYS H 1 94 LYS HDx 1.0 1.5 4.0 895 731 1 94 LYS H 1 94 LYS HDy 1.0 1.5 4.0 896 732 1 96 ALA H 1 95 VAL H 1.0 1.5 5.5 897 733 1 95 VAL HA 1 95 VAL H 1.0 1.5 3.3 898 734 1 94 LYS H 1 95 VAL H 1.0 1.5 5.5 899 735 1 95 VAL H 1 95 VAL HB 1.0 1.5 2.7 900 736 1 95 VAL H 1 95 VAL HGy% 1.0 1.5 2.7 901 737 1 95 VAL H 1 95 VAL HGx% 1.0 1.5 5.5 902 738 1 23 MET H 1 96 ALA H 1.0 1.5 5.5 903 739 1 96 ALA H 1 96 ALA HA 1.0 1.5 2.7 904 740 1 96 ALA H 1 95 VAL HA 1.0 1.5 2.7 905 741 1 96 ALA H 1 23 MET HGy 1.0 1.5 4.0 906 741 1 96 ALA H 1 23 MET HGx 1.0 1.5 4.0 907 742 1 96 ALA H 1 23 MET HBx 1.0 1.5 5.5 908 742 1 96 ALA H 1 23 MET HBy 1.0 1.5 5.5 909 743 1 96 ALA H 1 95 VAL HB 1.0 1.5 4.0 910 744 1 96 ALA H 1 96 ALA HB% 1.0 1.5 2.7 911 745 1 96 ALA H 1 95 VAL HGx% 1.0 1.5 2.7 912 746 1 96 ALA H 1 97 PHE HD% 1.0 1.5 5.5 913 747 1 97 PHE HD% 1 97 PHE H 1.0 1.5 3.3 914 748 1 96 ALA HA 1 97 PHE H 1.0 1.5 2.7 915 749 1 96 ALA HB% 1 97 PHE H 1.0 1.5 2.7 916 750 1 97 PHE H 1 97 PHE HBy 1.0 1.5 3.3 917 751 1 97 PHE H 1 97 PHE HBx 1.0 1.5 3.3 918 752 1 97 PHE H 1 98 PRO HGy 1.0 1.5 5.5 919 752 1 97 PHE H 1 98 PRO HGx 1.0 1.5 5.5 920 753 1 99 ARG H 1 98 PRO HA 1.0 1.5 2.7 921 754 1 99 ARG H 1 98 PRO HBy 1.0 1.5 3.3 922 754 1 99 ARG H 1 98 PRO HBx 1.0 1.5 3.3 923 755 1 99 ARG H 1 99 ARG HBx 1.0 1.5 2.7 924 755 1 99 ARG H 1 99 ARG HBy 1.0 1.5 2.7 925 756 1 101 ALA H 1 101 ALA HA 1.0 1.5 2.7 926 757 1 101 ALA H 1 100 ARG HA 1.0 1.5 2.7 927 758 1 101 ALA H 1 101 ALA HB% 1.0 1.5 2.7 928 759 1 101 ALA H 1 100 ARG HBy 1.0 1.5 4.0 929 759 1 101 ALA H 1 100 ARG HBx 1.0 1.5 4.0 930 760 1 101 ALA H 1 100 ARG HDx 1.0 1.5 4.0 931 760 1 101 ALA H 1 100 ARG HDy 1.0 1.5 4.0 932 761 1 101 ALA HA 1 102 GLN H 1.0 1.5 2.7 933 762 1 101 ALA HB% 1 102 GLN H 1.0 1.5 2.7 934 763 1 102 GLN H 1 102 GLN HBx 1.0 1.5 2.7 935 764 1 102 GLN H 1 102 GLN HBy 1.0 1.5 2.7 936 765 1 102 GLN HE21 1 102 GLN HE22 1.0 1.5 2.7 937 766 1 102 GLN HE21 1 102 GLN HGx 1.0 1.5 2.7 938 766 1 102 GLN HE21 1 102 GLN HGy 1.0 1.5 2.7 939 767 1 102 GLN HE22 1 102 GLN HBx 1.0 1.5 4.0 940 767 1 102 GLN HE22 1 102 GLN HBy 1.0 1.5 4.0 941 768 1 104 LYS H 1 104 LYS HA 1.0 1.5 3.3 942 769 1 104 LYS H 1 103 PRO HA 1.0 1.5 2.7 943 770 1 104 LYS H 1 103 PRO HGx 1.0 1.5 4.0 944 770 1 104 LYS H 1 103 PRO HGy 1.0 1.5 4.0 945 771 1 104 LYS H 1 104 LYS HBx 1.0 1.5 2.7 946 771 1 104 LYS H 1 104 LYS HBy 1.0 1.5 2.7 947 772 1 104 LYS H 1 104 LYS HGx 1.0 1.5 2.7 948 772 1 104 LYS H 1 104 LYS HGy 1.0 1.5 2.7 949 773 1 104 LYS H 1 104 LYS HDx 1.0 1.5 4.0 950 773 1 104 LYS H 1 104 LYS HDy 1.0 1.5 4.0 951 774 1 104 LYS H 1 103 PRO HBx 1.0 1.5 3.3 952 774 1 104 LYS H 1 103 PRO HBy 1.0 1.5 3.3 953 775 1 105 MET H 1 105 MET HGx 1.0 1.5 2.7 954 775 1 105 MET H 1 105 MET HGy 1.0 1.5 2.7 955 776 1 106 VAL H 1 105 MET HA 1.0 1.5 3.3 956 777 1 106 VAL H 1 105 MET HGx 1.0 1.5 5.5 957 777 1 105 MET HGy 1 106 VAL H 1.0 1.5 5.5 958 778 1 106 VAL H 1 105 MET HBx 1.0 1.5 4.0 959 778 1 106 VAL H 1 105 MET HBy 1.0 1.5 4.0 960 779 1 106 VAL H 1 106 VAL HB 1.0 1.5 2.7 961 780 1 106 VAL H 1 106 VAL HGy% 1.0 1.5 2.7 962 781 1 107 THR H 1 107 THR HB 1.0 1.5 2.7 963 782 1 107 THR H 1 107 THR HA 1.0 1.5 2.7 964 783 1 107 THR H 1 106 VAL HGx% 1.0 1.5 3.3 965 784 1 106 VAL HB 1 107 THR H 1.0 1.5 3.3 966 785 1 108 ARG H 1 108 ARG HBy 1.0 1.5 3.3 967 785 1 108 ARG H 1 108 ARG HBx 1.0 1.5 3.3 968 786 1 108 ARG H 1 107 THR HG2% 1.0 1.5 5.5 969 787 1 108 ARG H 1 108 ARG HA 1.0 1.5 5.5 970 788 1 107 THR H 1 108 ARG H 1.0 1.5 4.0 971 789 1 109 THR H 1 109 THR HG2% 1.0 1.5 5.5 972 790 1 110 LYS H 1 110 LYS HBx 1.0 1.5 3.3 973 790 1 110 LYS H 1 110 LYS HBy 1.0 1.5 3.3 974 791 1 110 LYS H 1 110 LYS HA 1.0 1.5 2.7 975 792 1 111 LYS H 1 111 LYS HBx 1.0 1.5 3.3 976 792 1 111 LYS H 1 111 LYS HBy 1.0 1.5 3.3 977 793 1 111 LYS H 1 111 LYS HA 1.0 1.5 2.7 stop_ save_ save_CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 1 31 GLN HGx 1 30 TRP CD1 1.0 2.0 3.5 2 1 1 31 GLN HGx 1 30 TRP CZ3 1.0 2.0 3.5 3 1 1 31 GLN HGx 1 30 TRP CH2 1.0 2.0 3.5 4 2 1 30 TRP CD1 1 31 GLN HGy 1.0 2.0 3.5 5 2 1 30 TRP CZ3 1 31 GLN HGy 1.0 2.0 3.5 6 2 1 30 TRP CH2 1 31 GLN HGy 1.0 2.0 3.5 7 3 1 67 VAL HG1% 1 69 PHE CEx 1.0 2.5 4.0 8 3 1 67 VAL HG1% 1 69 PHE CDy 1.0 2.5 4.0 9 4 1 78 VAL HG2% 1 44 PHE CEx 1.0 2.5 4.0 10 4 1 78 VAL HG2% 1 44 PHE CDy 1.0 2.5 4.0 11 5 1 78 VAL HA 1 44 PHE CEx 1.0 2.5 4.0 12 5 1 78 VAL HA 1 44 PHE CDy 1.0 2.5 4.0 13 6 1 64 PHE CDy 1 53 MET HBy 1.0 2.5 4.0 14 6 1 64 PHE CEx 1 53 MET HBy 1.0 2.5 4.0 15 7 1 53 MET HBx 1 64 PHE CDy 1.0 2.5 4.0 16 7 1 53 MET HBx 1 64 PHE CEx 1.0 2.5 4.0 17 8 1 12 GLU HBy 1 12 GLU HGx 1.0 1.5 2.7 18 8 1 12 GLU HGy 1 12 GLU HBy 1.0 1.5 2.7 19 8 1 12 GLU HBx 1 12 GLU HGy 1.0 1.5 2.7 20 8 1 12 GLU HBx 1 12 GLU HGx 1.0 1.5 2.7 21 9 1 12 GLU HA 1 12 GLU HGx 1.0 1.5 3.3 22 9 1 12 GLU HGy 1 12 GLU HA 1.0 1.5 3.3 23 10 1 13 ASN HD21 1 13 ASN HBy 1.0 1.5 2.7 24 10 1 13 ASN HBx 1 13 ASN HD21 1.0 1.5 2.7 25 11 1 13 ASN HA 1 13 ASN HBy 1.0 1.5 2.7 26 11 1 13 ASN HBx 1 13 ASN HA 1.0 1.5 2.7 27 12 1 15 TYR HD% 1 15 TYR HBy 1.0 1.5 2.7 28 12 1 15 TYR HD% 1 15 TYR HBx 1.0 1.5 2.7 29 13 1 15 TYR HE% 1 15 TYR HBy 1.0 1.5 4.0 30 13 1 15 TYR HBx 1 15 TYR HE% 1.0 1.5 4.0 31 14 1 16 PHE HA 1 16 PHE HBy 1.0 1.5 2.7 32 14 1 16 PHE HBx 1 16 PHE HA 1.0 1.5 2.7 33 15 1 17 GLN HA 1 16 PHE HBy 1.0 1.5 4.5 34 15 1 16 PHE HBx 1 17 GLN HA 1.0 1.5 4.5 35 16 1 20 ALA HA 1 21 GLY H 1.0 1.5 2.7 36 17 1 20 ALA HA 1 21 GLY HAx 1.0 1.5 5.5 37 17 1 20 ALA HA 1 21 GLY HAy 1.0 1.5 5.5 38 18 1 19 ASN H 1 20 ALA HA 1.0 1.5 5.5 39 19 1 20 ALA HB% 1 20 ALA HA 1.0 1.5 2.7 40 20 1 75 VAL HG2% 1 21 GLY HAx 1.0 1.5 3.3 41 20 1 21 GLY HAy 1 75 VAL HG2% 1.0 1.5 3.3 42 21 1 22 LYS HA 1 22 LYS HEy 1.0 1.5 5.5 43 21 1 22 LYS HA 1 22 LYS HEx 1.0 1.5 5.5 44 22 1 22 LYS HA 1 22 LYS HGx 1.0 1.5 3.3 45 22 1 22 LYS HA 1 22 LYS HGy 1.0 1.5 3.3 46 23 1 22 LYS HA 1 22 LYS HDx 1.0 1.5 5.5 47 23 1 22 LYS HA 1 22 LYS HDy 1.0 1.5 5.5 48 24 1 22 LYS HA 1 22 LYS HBx 1.0 1.5 2.7 49 24 1 22 LYS HA 1 22 LYS HBy 1.0 1.5 2.7 50 25 1 22 LYS H 1 22 LYS HA 1.0 1.5 3.3 51 26 1 22 LYS HA 1 68 THR HA 1.0 1.5 2.7 52 27 1 22 LYS HBy 1 22 LYS HGx 1.0 1.5 2.7 53 27 1 22 LYS HBx 1 22 LYS HGx 1.0 1.5 2.7 54 27 1 22 LYS HGy 1 22 LYS HBx 1.0 1.5 2.7 55 27 1 22 LYS HBy 1 22 LYS HGy 1.0 1.5 2.7 56 28 1 22 LYS HDx 1 22 LYS HGx 1.0 1.5 2.7 57 28 1 22 LYS HGy 1 22 LYS HDx 1.0 1.5 2.7 58 28 1 22 LYS HDy 1 22 LYS HGy 1.0 1.5 2.7 59 28 1 22 LYS HDy 1 22 LYS HGx 1.0 1.5 2.7 60 29 1 22 LYS HDx 1 22 LYS HEy 1.0 1.5 2.7 61 29 1 22 LYS HDy 1 22 LYS HEy 1.0 1.5 2.7 62 29 1 22 LYS HEx 1 22 LYS HDx 1.0 1.5 2.7 63 29 1 22 LYS HDy 1 22 LYS HEx 1.0 1.5 2.7 64 30 1 95 VAL HA 1 23 MET HA 1.0 1.5 2.7 65 31 1 24 PHE H 1 23 MET HA 1.0 1.5 2.7 66 32 1 23 MET H 1 23 MET HA 1.0 1.5 3.3 67 33 1 23 MET HA 1 23 MET HGy 1.0 1.5 3.3 68 33 1 23 MET HGx 1 23 MET HA 1.0 1.5 3.3 69 34 1 95 VAL HGy% 1 23 MET HA 1.0 1.5 4.0 70 35 1 95 VAL HGx% 1 23 MET HA 1.0 1.5 4.0 71 36 1 23 MET HE% 1 23 MET HBx 1.0 1.5 2.7 72 36 1 23 MET HBy 1 23 MET HE% 1.0 1.5 2.7 73 37 1 25 ILE HD1% 1 23 MET HE% 1.0 1.5 5.5 74 38 1 78 VAL HG1% 1 23 MET HE% 1.0 1.5 3.3 75 39 1 79 LEU HD2% 1 23 MET HE% 1.0 1.5 3.3 76 40 1 24 PHE H 1 24 PHE HA 1.0 1.5 3.3 77 41 1 24 PHE HA 1 24 PHE HBy 1.0 1.5 3.3 78 41 1 24 PHE HBx 1 24 PHE HA 1.0 1.5 3.3 79 42 1 24 PHE HA 1 66 PHE HD% 1.0 1.5 2.7 80 43 1 24 PHE HD% 1 66 PHE HA 1.0 1.5 4.0 81 44 1 24 PHE HD% 1 24 PHE HBy 1.0 1.5 2.7 82 44 1 24 PHE HD% 1 24 PHE HBx 1.0 1.5 2.7 83 45 1 24 PHE HE% 1 24 PHE HBy 1.0 1.5 5.5 84 45 1 24 PHE HBx 1 24 PHE HE% 1.0 1.5 5.5 85 46 1 25 ILE HD1% 1 93 PRO HA 1.0 1.5 3.3 86 47 1 25 ILE HD1% 1 25 ILE HG13 1.0 1.5 2.7 87 47 1 25 ILE HD1% 1 25 ILE HG12 1.0 1.5 2.7 88 48 1 25 ILE HD1% 1 25 ILE HG2% 1.0 1.5 2.7 89 49 1 25 ILE HD1% 1 25 ILE HA 1.0 1.5 2.7 90 50 1 25 ILE HG2% 1 25 ILE HA 1.0 1.5 2.7 91 51 1 25 ILE HB 1 25 ILE HG2% 1.0 1.5 2.7 92 52 1 25 ILE HB 1 37 LEU HD1% 1.0 1.5 4.0 93 53 1 25 ILE HB 1 25 ILE HG13 1.0 1.5 2.7 94 53 1 25 ILE HG12 1 25 ILE HB 1.0 1.5 2.7 95 54 1 93 PRO HA 1 25 ILE HA 1.0 1.5 2.7 96 55 1 26 GLY H 1 25 ILE HA 1.0 1.5 2.7 97 56 1 25 ILE HB 1 25 ILE HA 1.0 1.5 2.7 98 57 1 24 PHE HE% 1 26 GLY HA2 1.0 1.5 5.5 99 58 1 26 GLY HA3 1 26 GLY HA2 1.0 1.5 2.7 100 59 1 64 PHE HBy 1 26 GLY HA2 1.0 1.5 3.3 101 59 1 26 GLY HA2 1 64 PHE HBx 1.0 1.5 3.3 102 60 1 64 PHE HBy 1 26 GLY HA3 1.0 1.5 4.0 103 60 1 26 GLY HA3 1 64 PHE HBx 1.0 1.5 4.0 104 61 1 24 PHE HE% 1 26 GLY HA3 1.0 1.5 5.5 105 62 1 27 GLY HAy 1 27 GLY HAx 1.0 1.5 2.7 106 63 1 28 LEU H 1 27 GLY HAx 1.0 1.5 3.3 107 63 1 28 LEU H 1 27 GLY HAy 1.0 1.5 3.3 108 64 1 28 LEU HA 1 29 SER HA 1.0 1.5 4.5 109 65 1 28 LEU HA 1 28 LEU HBy 1.0 1.5 3.3 110 65 1 28 LEU HBx 1 28 LEU HA 1.0 1.5 3.3 111 66 1 28 LEU HA 1 91 ILE HG2% 1.0 1.5 3.3 112 67 1 28 LEU HA 1 28 LEU HD2% 1.0 1.5 2.7 113 68 1 28 LEU H 1 28 LEU HA 1.0 1.5 2.7 114 69 1 28 LEU HBx 1 28 LEU HG 1.0 1.5 2.7 115 69 1 28 LEU HG 1 28 LEU HBy 1.0 1.5 2.7 116 70 1 29 SER HA 1 29 SER HB3 1.0 1.5 3.3 117 71 1 29 SER HA 1 29 SER HB2 1.0 1.5 3.3 118 72 1 30 TRP HA 1 30 TRP HD1 1.0 1.5 4.0 119 73 1 30 TRP HA 1 30 TRP HBx 1.0 1.5 2.7 120 73 1 30 TRP HA 1 30 TRP HBy 1.0 1.5 2.7 121 74 1 30 TRP HH2 1 30 TRP HZ2 1.0 1.5 2.7 122 75 1 31 GLN HA 1 31 GLN HBx 1.0 1.5 2.7 123 75 1 31 GLN HA 1 31 GLN HBy 1.0 1.5 2.7 124 76 1 31 GLN HBx 1 31 GLN HGy 1.0 1.5 2.7 125 76 1 31 GLN HGx 1 31 GLN HBx 1.0 1.5 2.7 126 76 1 31 GLN HBy 1 31 GLN HGx 1.0 1.5 2.7 127 76 1 31 GLN HBy 1 31 GLN HGy 1.0 1.5 2.7 128 77 1 32 THR HA 1 33 SER H 1.0 1.5 2.7 129 78 1 32 THR HA 1 32 THR HG2% 1.0 1.5 2.7 130 79 1 32 THR HA 1 32 THR HB 1.0 1.5 2.7 131 80 1 33 SER HA 1 34 PRO HDy 1.0 1.5 2.7 132 80 1 33 SER HA 1 34 PRO HDx 1.0 1.5 2.7 133 81 1 52 VAL HG2% 1 34 PRO HA 1.0 1.5 3.3 134 82 1 52 VAL HG1% 1 34 PRO HA 1.0 1.5 5.5 135 83 1 34 PRO HA 1 52 VAL HB 1.0 1.5 4.0 136 84 1 34 PRO HA 1 34 PRO HBy 1.0 1.5 2.7 137 84 1 34 PRO HA 1 34 PRO HBx 1.0 1.5 2.7 138 85 1 34 PRO HA 1 34 PRO HGy 1.0 1.5 4.0 139 85 1 34 PRO HA 1 34 PRO HGx 1.0 1.5 4.0 140 86 1 34 PRO HA 1 34 PRO HDy 1.0 1.5 4.0 141 86 1 34 PRO HA 1 34 PRO HDx 1.0 1.5 4.0 142 87 1 34 PRO HA 1 35 ASP HB3 1.0 1.5 5.5 143 87 1 34 PRO HA 1 35 ASP HB2 1.0 1.5 5.5 144 88 1 34 PRO HBx 1 34 PRO HGy 1.0 1.5 2.7 145 88 1 34 PRO HGx 1 34 PRO HBy 1.0 1.5 2.7 146 88 1 34 PRO HGx 1 34 PRO HBx 1.0 1.5 2.7 147 88 1 34 PRO HBy 1 34 PRO HGy 1.0 1.5 2.7 148 89 1 34 PRO HDy 1 34 PRO HGy 1.0 1.5 2.7 149 89 1 34 PRO HDx 1 34 PRO HGy 1.0 1.5 2.7 150 89 1 34 PRO HGx 1 34 PRO HDy 1.0 1.5 2.7 151 89 1 34 PRO HDx 1 34 PRO HGx 1.0 1.5 2.7 152 90 1 35 ASP HA 1 35 ASP HB2 1.0 1.5 2.7 153 91 1 35 ASP HA 1 35 ASP HB3 1.0 1.5 3.3 154 92 1 36 SER HA 1 39 ASP HBx 1.0 1.5 3.3 155 92 1 39 ASP HBy 1 36 SER HA 1.0 1.5 3.3 156 93 1 36 SER HA 1 36 SER HBx 1.0 1.5 2.7 157 93 1 36 SER HBy 1 36 SER HA 1.0 1.5 2.7 158 94 1 37 LEU HG 1 37 LEU HA 1.0 1.5 3.3 159 95 1 37 LEU HG 1 37 LEU HD1% 1.0 1.5 2.7 160 96 1 38 ARG HA 1 38 ARG HBx 1.0 1.5 3.3 161 96 1 38 ARG HA 1 38 ARG HBy 1.0 1.5 3.3 162 97 1 38 ARG HA 1 38 ARG HGy 1.0 1.5 3.3 163 97 1 38 ARG HA 1 38 ARG HGx 1.0 1.5 3.3 164 98 1 38 ARG HBy 1 38 ARG HGy 1.0 1.5 2.7 165 98 1 38 ARG HBx 1 38 ARG HGy 1.0 1.5 2.7 166 98 1 38 ARG HGx 1 38 ARG HBx 1.0 1.5 2.7 167 98 1 38 ARG HBy 1 38 ARG HGx 1.0 1.5 2.7 168 99 1 39 ASP HA 1 39 ASP HBx 1.0 1.5 3.3 169 99 1 39 ASP HA 1 39 ASP HBy 1.0 1.5 3.3 170 100 1 40 TYR HA 1 40 TYR HD% 1.0 1.5 2.7 171 101 1 40 TYR HD% 1 40 TYR HE% 1.0 1.5 2.7 172 102 1 40 TYR H 1 40 TYR HD% 1.0 1.5 5.5 173 103 1 40 TYR HB3 1 40 TYR HD% 1.0 1.5 3.3 174 104 1 40 TYR HD% 1 40 TYR HB2 1.0 1.5 2.7 175 105 1 86 LEU HD1% 1 40 TYR HD% 1.0 1.5 4.0 176 106 1 91 ILE HD1% 1 40 TYR HE% 1.0 1.5 5.5 177 107 1 41 PHE HA 1 41 PHE HB3 1.0 1.5 2.7 178 108 1 41 PHE HB2 1 41 PHE HA 1.0 1.5 2.7 179 109 1 41 PHE HD% 1 41 PHE HE% 1.0 1.5 2.7 180 110 1 41 PHE H 1 41 PHE HD% 1.0 1.5 4.0 181 111 1 41 PHE HD% 1 41 PHE HZ 1.0 1.5 4.0 182 112 1 41 PHE HD% 1 41 PHE HB3 1.0 1.5 3.3 183 112 1 41 PHE HD% 1 41 PHE HB2 1.0 1.5 3.3 184 113 1 41 PHE HD% 1 41 PHE HA 1.0 1.5 5.5 185 114 1 41 PHE HE% 1 41 PHE HZ 1.0 1.5 2.7 186 115 1 41 PHE H 1 42 SER HA 1.0 1.5 5.5 187 116 1 42 SER H 1 42 SER HA 1.0 1.5 2.7 188 117 1 45 GLY H 1 42 SER HA 1.0 1.5 3.3 189 118 1 43 LYS H 1 42 SER HA 1.0 1.5 3.3 190 119 1 42 SER HA 1 42 SER HBx 1.0 1.5 2.7 191 119 1 42 SER HBy 1 42 SER HA 1.0 1.5 2.7 192 120 1 47 ILE HD1% 1 42 SER HA 1.0 1.5 3.3 193 121 1 42 SER HA 1 47 ILE HG1y 1.0 1.5 4.0 194 121 1 47 ILE HG1x 1 42 SER HA 1.0 1.5 4.0 195 122 1 44 PHE H 1 42 SER HA 1.0 1.5 4.0 196 123 1 43 LYS HA 1 43 LYS HBx 1.0 1.5 2.7 197 123 1 43 LYS HA 1 43 LYS HBy 1.0 1.5 2.7 198 124 1 43 LYS HBx 1 43 LYS HGx 1.0 1.5 2.7 199 124 1 43 LYS HBy 1 43 LYS HGx 1.0 1.5 2.7 200 124 1 43 LYS HGy 1 43 LYS HBx 1.0 1.5 2.7 201 124 1 43 LYS HBy 1 43 LYS HGy 1.0 1.5 2.7 202 125 1 43 LYS HDx 1 43 LYS HEx 1.0 1.5 2.7 203 125 1 43 LYS HDy 1 43 LYS HEx 1.0 1.5 2.7 204 125 1 43 LYS HEy 1 43 LYS HDx 1.0 1.5 2.7 205 125 1 43 LYS HDy 1 43 LYS HEy 1.0 1.5 2.7 206 126 1 44 PHE HA 1 44 PHE HD% 1.0 1.5 3.3 207 127 1 44 PHE HA 1 44 PHE HE% 1.0 1.5 5.5 208 128 1 44 PHE HD% 1 44 PHE HE% 1.0 1.5 2.7 209 129 1 44 PHE HE% 1 44 PHE HZ 1.0 1.5 2.7 210 130 1 44 PHE HD% 1 44 PHE HB3 1.0 1.5 3.3 211 130 1 44 PHE HB2 1 44 PHE HD% 1.0 1.5 3.3 212 131 1 78 VAL HG2% 1 44 PHE HD% 1.0 1.5 4.0 213 132 1 44 PHE HA 1 44 PHE HB3 1.0 1.5 2.7 214 133 1 44 PHE HB2 1 44 PHE HA 1.0 1.5 2.7 215 134 1 45 GLY HAx 1 45 GLY HAy 1.0 1.5 2.7 216 135 1 69 PHE HD% 1 45 GLY HAy 1.0 1.5 3.3 217 135 1 69 PHE HD% 1 45 GLY HAx 1.0 1.5 3.3 218 136 1 45 GLY HAy 1 46 GLU HBx 1.0 1.5 5.5 219 136 1 45 GLY HAx 1 46 GLU HBx 1.0 1.5 5.5 220 136 1 46 GLU HBy 1 45 GLY HAy 1.0 1.5 5.5 221 136 1 46 GLU HBy 1 45 GLY HAx 1.0 1.5 5.5 222 137 1 45 GLY HAx 1 69 PHE HB3 1.0 1.5 5.5 223 137 1 69 PHE HB2 1 45 GLY HAy 1.0 1.5 5.5 224 137 1 69 PHE HB2 1 45 GLY HAx 1.0 1.5 5.5 225 137 1 45 GLY HAy 1 69 PHE HB3 1.0 1.5 5.5 226 138 1 46 GLU HA 1 46 GLU HBx 1.0 1.5 3.3 227 138 1 46 GLU HA 1 46 GLU HBy 1.0 1.5 3.3 228 139 1 46 GLU HBx 1 46 GLU HGy 1.0 1.5 2.7 229 139 1 46 GLU HBy 1 46 GLU HGy 1.0 1.5 2.7 230 139 1 46 GLU HGx 1 46 GLU HBx 1.0 1.5 2.7 231 139 1 46 GLU HGx 1 46 GLU HBy 1.0 1.5 2.7 232 140 1 47 ILE HD1% 1 69 PHE HA 1.0 1.5 5.5 233 141 1 38 ARG HA 1 47 ILE HD1% 1.0 1.5 2.7 234 142 1 47 ILE HD1% 1 38 ARG HDy 1.0 1.5 5.5 235 142 1 47 ILE HD1% 1 38 ARG HDx 1.0 1.5 5.5 236 143 1 47 ILE HD1% 1 38 ARG HGy 1.0 1.5 3.3 237 143 1 38 ARG HGx 1 47 ILE HD1% 1.0 1.5 3.3 238 144 1 47 ILE HD1% 1 47 ILE HB 1.0 1.5 2.7 239 145 1 47 ILE HD1% 1 47 ILE HG1y 1.0 1.5 2.7 240 146 1 47 ILE HD1% 1 47 ILE HG1x 1.0 1.5 2.7 241 147 1 47 ILE HD1% 1 67 VAL HA 1.0 1.5 5.5 242 148 1 47 ILE HB 1 47 ILE HA 1.0 1.5 2.7 243 149 1 47 ILE HB 1 47 ILE HG1y 1.0 1.5 2.7 244 150 1 47 ILE HG1x 1 47 ILE HB 1.0 1.5 2.7 245 151 1 47 ILE HG2% 1 47 ILE HG1y 1.0 1.5 2.7 246 151 1 47 ILE HG1x 1 47 ILE HG2% 1.0 1.5 2.7 247 152 1 47 ILE HD1% 1 47 ILE HG1y 1.0 1.5 2.7 248 152 1 47 ILE HD1% 1 47 ILE HG1x 1.0 1.5 2.7 249 153 1 48 ARG HA 1 48 ARG HBy 1.0 1.5 2.7 250 153 1 48 ARG HBx 1 48 ARG HA 1.0 1.5 2.7 251 154 1 48 ARG HBy 1 48 ARG HGx 1.0 1.5 2.7 252 154 1 48 ARG HBx 1 48 ARG HGx 1.0 1.5 2.7 253 154 1 48 ARG HGy 1 48 ARG HBy 1.0 1.5 2.7 254 154 1 48 ARG HGy 1 48 ARG HBx 1.0 1.5 2.7 255 155 1 48 ARG HDx 1 48 ARG HGx 1.0 1.5 2.7 256 155 1 48 ARG HDy 1 48 ARG HGx 1.0 1.5 2.7 257 155 1 48 ARG HGy 1 48 ARG HDx 1.0 1.5 2.7 258 155 1 48 ARG HDy 1 48 ARG HGy 1.0 1.5 2.7 259 156 1 50 CYS H 1 49 GLU HA 1.0 1.5 2.7 260 157 1 49 GLU HA 1 49 GLU HBy 1.0 1.5 3.3 261 157 1 49 GLU HBx 1 49 GLU HA 1.0 1.5 3.3 262 158 1 50 CYS HA 1 50 CYS HBy 1.0 1.5 2.7 263 158 1 50 CYS HBx 1 50 CYS HA 1.0 1.5 2.7 264 159 1 67 VAL HB 1 50 CYS HBy 1.0 1.5 5.5 265 159 1 50 CYS HBx 1 67 VAL HB 1.0 1.5 5.5 266 160 1 67 VAL HA 1 50 CYS HBy 1.0 1.5 3.3 267 160 1 50 CYS HBx 1 67 VAL HA 1.0 1.5 3.3 268 161 1 50 CYS H 1 50 CYS HA 1.0 1.5 2.7 269 162 1 68 THR H 1 50 CYS HA 1.0 1.5 3.3 270 163 1 51 MET HA 1 51 MET HBx 1.0 1.5 2.7 271 164 1 51 MET HBy 1 51 MET HA 1.0 1.5 2.7 272 165 1 51 MET HBy 1 51 MET HGx 1.0 1.5 2.7 273 165 1 51 MET HBx 1 51 MET HGx 1.0 1.5 2.7 274 165 1 51 MET HGy 1 51 MET HBx 1.0 1.5 2.7 275 165 1 51 MET HGy 1 51 MET HBy 1.0 1.5 2.7 276 166 1 51 MET HE% 1 51 MET HGx 1.0 1.5 3.3 277 166 1 51 MET HGy 1 51 MET HE% 1.0 1.5 3.3 278 167 1 66 PHE H 1 51 MET HE% 1.0 1.5 5.5 279 168 1 66 PHE HD% 1 51 MET HE% 1.0 1.5 4.0 280 169 1 52 VAL HA 1 52 VAL HB 1.0 1.5 2.7 281 170 1 52 VAL HG2% 1 52 VAL HA 1.0 1.5 3.3 282 171 1 52 VAL HG1% 1 52 VAL HA 1.0 1.5 2.7 283 172 1 52 VAL HG1% 1 52 VAL HB 1.0 1.5 2.7 284 173 1 52 VAL HG2% 1 52 VAL HB 1.0 1.5 2.7 285 174 1 53 MET HE% 1 53 MET HGx 1.0 1.5 2.7 286 174 1 53 MET HGy 1 53 MET HE% 1.0 1.5 2.7 287 175 1 53 MET HA 1 53 MET HBy 1.0 1.5 2.7 288 175 1 53 MET HBx 1 53 MET HA 1.0 1.5 2.7 289 176 1 53 MET HBy 1 53 MET HGx 1.0 1.5 2.7 290 176 1 53 MET HBx 1 53 MET HGx 1.0 1.5 2.7 291 176 1 53 MET HGy 1 53 MET HBy 1.0 1.5 2.7 292 176 1 53 MET HBx 1 53 MET HGy 1.0 1.5 2.7 293 177 1 54 ARG HA 1 54 ARG HBy 1.0 1.5 2.7 294 177 1 54 ARG HBx 1 54 ARG HA 1.0 1.5 2.7 295 178 1 54 ARG HBy 1 54 ARG HGy 1.0 1.5 2.7 296 178 1 54 ARG HGx 1 54 ARG HBy 1.0 1.5 2.7 297 178 1 54 ARG HBx 1 54 ARG HGx 1.0 1.5 2.7 298 178 1 54 ARG HBx 1 54 ARG HGy 1.0 1.5 2.7 299 179 1 54 ARG HDx 1 54 ARG HGy 1.0 1.5 2.7 300 179 1 54 ARG HDy 1 54 ARG HGy 1.0 1.5 2.7 301 179 1 54 ARG HGx 1 54 ARG HDx 1.0 1.5 2.7 302 179 1 54 ARG HGx 1 54 ARG HDy 1.0 1.5 2.7 303 180 1 54 ARG HA 1 54 ARG HDx 1.0 1.5 4.0 304 180 1 54 ARG HA 1 54 ARG HDy 1.0 1.5 4.0 305 181 1 54 ARG HA 1 54 ARG HGy 1.0 1.5 2.7 306 181 1 54 ARG HGx 1 54 ARG HA 1.0 1.5 2.7 307 182 1 55 ASP HA 1 55 ASP HB2 1.0 1.5 2.7 308 183 1 55 ASP HA 1 55 ASP HB3 1.0 1.5 2.7 309 184 1 55 ASP HA 1 56 PRO HDx 1.0 1.5 2.7 310 184 1 56 PRO HDy 1 55 ASP HA 1.0 1.5 2.7 311 185 1 56 PRO HA 1 56 PRO HBx 1.0 1.5 2.7 312 185 1 56 PRO HA 1 56 PRO HBy 1.0 1.5 2.7 313 186 1 56 PRO HBx 1 56 PRO HGx 1.0 1.5 2.7 314 186 1 56 PRO HBy 1 56 PRO HGx 1.0 1.5 2.7 315 186 1 56 PRO HGy 1 56 PRO HBx 1.0 1.5 2.7 316 186 1 56 PRO HBy 1 56 PRO HGy 1.0 1.5 2.7 317 187 1 56 PRO HDy 1 56 PRO HGx 1.0 1.5 2.7 318 187 1 56 PRO HDx 1 56 PRO HGx 1.0 1.5 2.7 319 187 1 56 PRO HGy 1 56 PRO HDx 1.0 1.5 2.7 320 187 1 56 PRO HDy 1 56 PRO HGy 1.0 1.5 2.7 321 188 1 57 THR HA 1 57 THR HB 1.0 1.5 2.7 322 189 1 57 THR HA 1 57 THR HG2% 1.0 1.5 2.7 323 190 1 57 THR HG2% 1 57 THR HB 1.0 1.5 2.7 324 191 1 58 THR HA 1 58 THR HB 1.0 1.5 2.7 325 192 1 58 THR HA 1 58 THR HG2% 1.0 1.5 2.7 326 193 1 58 THR HG2% 1 58 THR HB 1.0 1.5 2.7 327 194 1 59 LYS HA 1 59 LYS HBy 1.0 1.5 2.7 328 194 1 59 LYS HA 1 59 LYS HBx 1.0 1.5 2.7 329 195 1 59 LYS HBy 1 59 LYS HGx 1.0 1.5 2.7 330 195 1 59 LYS HBx 1 59 LYS HGx 1.0 1.5 2.7 331 195 1 59 LYS HGy 1 59 LYS HBy 1.0 1.5 2.7 332 195 1 59 LYS HBx 1 59 LYS HGy 1.0 1.5 2.7 333 196 1 59 LYS HDx 1 59 LYS HEx 1.0 1.5 2.7 334 196 1 59 LYS HDy 1 59 LYS HEx 1.0 1.5 2.7 335 196 1 59 LYS HEy 1 59 LYS HDx 1.0 1.5 2.7 336 196 1 59 LYS HDy 1 59 LYS HEy 1.0 1.5 2.7 337 197 1 60 ARG HA 1 60 ARG HBx 1.0 1.5 2.7 338 197 1 60 ARG HBy 1 60 ARG HA 1.0 1.5 2.7 339 198 1 60 ARG HBy 1 60 ARG HGx 1.0 1.5 2.7 340 198 1 60 ARG HBx 1 60 ARG HGx 1.0 1.5 2.7 341 198 1 60 ARG HGy 1 60 ARG HBx 1.0 1.5 2.7 342 198 1 60 ARG HBy 1 60 ARG HGy 1.0 1.5 2.7 343 199 1 60 ARG HDy 1 60 ARG HGx 1.0 1.5 2.7 344 199 1 60 ARG HDx 1 60 ARG HGx 1.0 1.5 2.7 345 199 1 60 ARG HGy 1 60 ARG HDx 1.0 1.5 2.7 346 199 1 60 ARG HGy 1 60 ARG HDy 1.0 1.5 2.7 347 200 1 61 SER HA 1 61 SER HBx 1.0 1.5 3.3 348 200 1 61 SER HBy 1 61 SER HA 1.0 1.5 3.3 349 201 1 62 ARG HA 1 62 ARG HBy 1.0 1.5 2.7 350 201 1 62 ARG HA 1 62 ARG HBx 1.0 1.5 2.7 351 202 1 62 ARG HBy 1 62 ARG HGy 1.0 1.5 2.7 352 202 1 62 ARG HGx 1 62 ARG HBy 1.0 1.5 2.7 353 202 1 62 ARG HBx 1 62 ARG HGx 1.0 1.5 2.7 354 202 1 62 ARG HBx 1 62 ARG HGy 1.0 1.5 2.7 355 203 1 62 ARG HDx 1 62 ARG HGy 1.0 1.5 2.7 356 203 1 62 ARG HDy 1 62 ARG HGy 1.0 1.5 2.7 357 203 1 62 ARG HGx 1 62 ARG HDx 1.0 1.5 2.7 358 203 1 62 ARG HGx 1 62 ARG HDy 1.0 1.5 2.7 359 204 1 28 LEU HD1% 1 64 PHE HA 1.0 1.5 3.3 360 205 1 28 LEU HG 1 64 PHE HA 1.0 1.5 2.7 361 206 1 64 PHE HA 1 28 LEU HBy 1.0 1.5 4.0 362 206 1 28 LEU HBx 1 64 PHE HA 1.0 1.5 4.0 363 207 1 64 PHE HA 1 26 GLY HA2 1.0 1.5 3.3 364 207 1 64 PHE HA 1 26 GLY HA3 1.0 1.5 3.3 365 208 1 64 PHE HA 1 64 PHE HD% 1.0 1.5 3.3 366 209 1 64 PHE HA 1 64 PHE HBx 1.0 1.5 3.3 367 209 1 64 PHE HA 1 64 PHE HBy 1.0 1.5 3.3 368 210 1 64 PHE HD% 1 64 PHE HE% 1.0 1.5 2.7 369 211 1 64 PHE HE% 1 64 PHE HZ 1.0 1.5 2.7 370 212 1 28 LEU HD2% 1 65 GLY HA3 1.0 1.5 5.5 371 213 1 28 LEU HD1% 1 65 GLY HA3 1.0 1.5 3.3 372 214 1 37 LEU HD1% 1 65 GLY HA3 1.0 1.5 5.5 373 215 1 65 GLY HA3 1 64 PHE HD% 1.0 1.5 4.5 374 216 1 65 GLY HA3 1 66 PHE HD% 1.0 1.5 4.0 375 217 1 52 VAL HG2% 1 65 GLY HA3 1.0 1.5 3.3 376 218 1 52 VAL HG1% 1 65 GLY HA3 1.0 1.5 4.0 377 219 1 65 GLY HA3 1 65 GLY HA2 1.0 1.5 2.7 378 220 1 52 VAL HG2% 1 65 GLY HA2 1.0 1.5 4.0 379 221 1 52 VAL HG1% 1 65 GLY HA2 1.0 1.5 4.0 380 222 1 66 PHE HD% 1 65 GLY HA2 1.0 1.5 3.3 381 223 1 25 ILE HG12 1 66 PHE HA 1.0 1.5 5.5 382 224 1 66 PHE HA 1 25 ILE HG13 1.0 1.5 5.5 383 225 1 66 PHE HA 1 67 VAL HA 1.0 1.5 4.5 384 226 1 66 PHE HA 1 66 PHE HB2 1.0 1.5 2.7 385 227 1 66 PHE HA 1 66 PHE HB3 1.0 1.5 3.3 386 228 1 66 PHE HA 1 66 PHE HD% 1.0 1.5 3.3 387 229 1 66 PHE HA 1 24 PHE HA 1.0 1.5 2.7 388 230 1 66 PHE HA 1 65 GLY HA3 1.0 1.5 4.5 389 231 1 66 PHE HA 1 65 GLY HA2 1.0 1.5 4.5 390 232 1 25 ILE HD1% 1 66 PHE HA 1.0 1.5 5.5 391 233 1 66 PHE HA 1 25 ILE HB 1.0 1.5 5.5 392 234 1 66 PHE HD% 1 66 PHE HE% 1.0 1.5 2.7 393 235 1 66 PHE H 1 66 PHE HD% 1.0 1.5 2.7 394 236 1 66 PHE HD% 1 66 PHE HB3 1.0 1.5 2.7 395 237 1 66 PHE HB2 1 66 PHE HD% 1.0 1.5 2.7 396 238 1 67 VAL H 1 66 PHE HD% 1.0 1.5 4.0 397 239 1 64 PHE HD% 1 66 PHE HD% 1.0 1.5 4.0 398 240 1 50 CYS HA 1 67 VAL HA 1.0 1.5 2.7 399 241 1 67 VAL HB 1 67 VAL HA 1.0 1.5 3.3 400 242 1 67 VAL HG1% 1 67 VAL HA 1.0 1.5 2.7 401 243 1 67 VAL HA 1 68 THR HG1 1.0 1.5 2.7 402 244 1 37 LEU HD1% 1 67 VAL HA 1.0 1.5 5.5 403 245 1 38 ARG H 1 67 VAL HG1% 1.0 1.5 5.5 404 246 1 67 VAL HG1% 1 67 VAL HA 1.0 1.5 3.3 405 247 1 67 VAL HG1% 1 67 VAL HB 1.0 1.5 3.3 406 248 1 67 VAL HG2% 1 67 VAL HG1% 1.0 1.5 2.7 407 249 1 47 ILE HG2% 1 67 VAL HG1% 1.0 1.5 2.7 408 250 1 47 ILE HD1% 1 67 VAL HG1% 1.0 1.5 2.7 409 251 1 67 VAL HG1% 1 47 ILE HG1y 1.0 1.5 3.3 410 252 1 47 ILE HB 1 67 VAL HG1% 1.0 1.5 5.5 411 253 1 47 ILE HA 1 67 VAL HG1% 1.0 1.5 4.0 412 254 1 67 VAL HG1% 1 69 PHE HD% 1.0 1.5 4.0 413 255 1 67 VAL HG1% 1 41 PHE HB3 1.0 1.5 3.3 414 256 1 41 PHE HB2 1 67 VAL HG1% 1.0 1.5 3.3 415 257 1 67 VAL HG1% 1 50 CYS HBy 1.0 1.5 3.3 416 257 1 50 CYS HBx 1 67 VAL HG1% 1.0 1.5 3.3 417 258 1 67 VAL HG1% 1 50 CYS HA 1.0 1.5 5.5 418 259 1 66 PHE HA 1 67 VAL HG1% 1.0 1.5 5.5 419 260 1 67 VAL HG1% 1 69 PHE HE% 1.0 1.5 5.5 420 261 1 67 VAL HG2% 1 37 LEU HB3 1.0 1.5 3.3 421 261 1 67 VAL HG2% 1 37 LEU HB2 1.0 1.5 3.3 422 262 1 67 VAL HG2% 1 37 LEU HD1% 1.0 1.5 2.7 423 263 1 67 VAL HG2% 1 37 LEU HA 1.0 1.5 5.5 424 264 1 67 VAL HG2% 1 41 PHE HD% 1.0 1.5 3.3 425 265 1 67 VAL HG1% 1 41 PHE HB3 1.0 1.5 4.0 426 266 1 67 VAL HG2% 1 41 PHE HB2 1.0 1.5 4.0 427 267 1 67 VAL HG2% 1 41 PHE HA 1.0 1.5 5.5 428 268 1 67 VAL HG2% 1 50 CYS HA 1.0 1.5 5.5 429 269 1 67 VAL HG2% 1 50 CYS HBy 1.0 1.5 3.3 430 269 1 67 VAL HG2% 1 50 CYS HBx 1.0 1.5 3.3 431 270 1 67 VAL HG2% 1 67 VAL HB 1.0 1.5 3.3 432 271 1 67 VAL HG2% 1 67 VAL HA 1.0 1.5 2.7 433 272 1 25 ILE HD1% 1 67 VAL HG2% 1.0 1.5 4.0 434 273 1 68 THR HA 1 68 THR HB 1.0 1.5 2.7 435 274 1 68 THR HG2% 1 68 THR HB 1.0 1.5 2.7 436 275 1 69 PHE HD% 1 69 PHE HA 1.0 1.5 3.3 437 276 1 70 ALA H 1 69 PHE HA 1.0 1.5 2.7 438 277 1 47 ILE HG2% 1 69 PHE HA 1.0 1.5 3.3 439 278 1 69 PHE HA 1 69 PHE HB3 1.0 1.5 3.3 440 278 1 69 PHE HA 1 69 PHE HB2 1.0 1.5 3.3 441 279 1 47 ILE HA 1 69 PHE HA 1.0 1.5 2.7 442 280 1 69 PHE HD% 1 69 PHE HE% 1.0 1.5 2.7 443 281 1 48 ARG H 1 70 ALA HA 1.0 1.5 5.5 444 282 1 70 ALA HB% 1 70 ALA HA 1.0 1.5 2.7 445 283 1 71 ASP HA 1 69 PHE HB3 1.0 1.5 5.5 446 283 1 69 PHE HB2 1 71 ASP HA 1.0 1.5 5.5 447 284 1 71 ASP HA 1 72 PRO HDy 1.0 1.5 2.7 448 284 1 71 ASP HA 1 72 PRO HDx 1.0 1.5 2.7 449 285 1 71 ASP HA 1 72 PRO HGx 1.0 1.5 4.5 450 285 1 71 ASP HA 1 72 PRO HGy 1.0 1.5 4.5 451 286 1 71 ASP HA 1 71 ASP HBx 1.0 1.5 3.3 452 286 1 71 ASP HBy 1 71 ASP HA 1.0 1.5 3.3 453 287 1 72 PRO HA 1 72 PRO HB3 1.0 1.5 2.7 454 288 1 72 PRO HA 1 72 PRO HB2 1.0 1.5 2.7 455 289 1 72 PRO HGy 1 72 PRO HB3 1.0 1.5 2.7 456 289 1 72 PRO HB3 1 72 PRO HGx 1.0 1.5 2.7 457 290 1 72 PRO HGy 1 72 PRO HB2 1.0 1.5 2.7 458 290 1 72 PRO HB2 1 72 PRO HGx 1.0 1.5 2.7 459 291 1 72 PRO HDx 1 72 PRO HB2 1.0 1.5 4.0 460 291 1 72 PRO HB2 1 72 PRO HDy 1.0 1.5 4.0 461 292 1 73 ALA HB% 1 76 ASP HBx 1.0 1.5 5.5 462 292 1 73 ALA HB% 1 76 ASP HBy 1.0 1.5 5.5 463 293 1 73 ALA HA 1 73 ALA HB% 1.0 1.5 2.7 464 294 1 73 ALA HB% 1 77 LYS HEx 1.0 1.5 4.0 465 294 1 73 ALA HB% 1 77 LYS HEy 1.0 1.5 4.0 466 295 1 73 ALA HA 1 76 ASP HBx 1.0 1.5 3.3 467 295 1 73 ALA HA 1 76 ASP HBy 1.0 1.5 3.3 468 296 1 74 SER HB3 1 74 SER HA 1.0 1.5 3.3 469 297 1 74 SER HA 1 74 SER HB2 1.0 1.5 2.7 470 298 1 78 VAL HG2% 1 75 VAL HA 1.0 1.5 4.0 471 299 1 75 VAL HA 1 78 VAL HG1% 1.0 1.5 5.5 472 300 1 75 VAL HG1% 1 75 VAL HA 1.0 1.5 2.7 473 301 1 75 VAL HG2% 1 75 VAL HA 1.0 1.5 2.7 474 302 1 75 VAL HA 1 95 VAL HGy% 1.0 1.5 4.0 475 303 1 75 VAL HA 1 78 VAL HB 1.0 1.5 3.3 476 304 1 75 VAL HG1% 1 75 VAL HB 1.0 1.5 2.7 477 305 1 75 VAL HG2% 1 75 VAL HB 1.0 1.5 2.7 478 306 1 76 ASP HA 1 76 ASP HBx 1.0 1.5 3.3 479 306 1 76 ASP HA 1 76 ASP HBy 1.0 1.5 3.3 480 307 1 77 LYS HA 1 77 LYS HBx 1.0 1.5 2.7 481 307 1 77 LYS HA 1 77 LYS HBy 1.0 1.5 2.7 482 308 1 77 LYS HBy 1 77 LYS HGx 1.0 1.5 2.7 483 308 1 77 LYS HBx 1 77 LYS HGx 1.0 1.5 2.7 484 308 1 77 LYS HGy 1 77 LYS HBx 1.0 1.5 2.7 485 308 1 77 LYS HGy 1 77 LYS HBy 1.0 1.5 2.7 486 309 1 77 LYS HDx 1 77 LYS HGx 1.0 1.5 2.7 487 309 1 77 LYS HDy 1 77 LYS HGx 1.0 1.5 2.7 488 309 1 77 LYS HGy 1 77 LYS HDx 1.0 1.5 2.7 489 309 1 77 LYS HDy 1 77 LYS HGy 1.0 1.5 2.7 490 310 1 77 LYS HDx 1 77 LYS HEx 1.0 1.5 2.7 491 310 1 77 LYS HDy 1 77 LYS HEx 1.0 1.5 2.7 492 310 1 77 LYS HEy 1 77 LYS HDx 1.0 1.5 2.7 493 310 1 77 LYS HDy 1 77 LYS HEy 1.0 1.5 2.7 494 311 1 78 VAL HG1% 1 78 VAL HB 1.0 1.5 2.7 495 312 1 78 VAL HA 1 78 VAL HG1% 1.0 1.5 2.7 496 313 1 78 VAL HG2% 1 78 VAL HA 1.0 1.5 2.7 497 314 1 78 VAL HG2% 1 78 VAL HB 1.0 1.5 2.7 498 315 1 78 VAL HA 1 81 GLN H 1.0 1.5 3.3 499 316 1 79 LEU HA 1 79 LEU HBx 1.0 1.5 2.7 500 316 1 79 LEU HA 1 79 LEU HBy 1.0 1.5 2.7 501 317 1 79 LEU HG 1 79 LEU HBy 1.0 1.5 2.7 502 317 1 79 LEU HG 1 79 LEU HBx 1.0 1.5 2.7 503 318 1 79 LEU HG 1 79 LEU HD1% 1.0 1.5 2.7 504 319 1 79 LEU HG 1 79 LEU HD2% 1.0 1.5 2.7 505 320 1 80 GLY HA3 1 80 GLY HA2 1.0 1.5 2.7 506 321 1 81 GLN HA 1 81 GLN HGx 1.0 1.5 2.7 507 321 1 81 GLN HGy 1 81 GLN HA 1.0 1.5 2.7 508 322 1 81 GLN HA 1 81 GLN HB3 1.0 1.5 2.7 509 322 1 81 GLN HB2 1 81 GLN HA 1.0 1.5 2.7 510 323 1 81 GLN HA 1 82 PRO HDx 1.0 1.5 2.7 511 323 1 82 PRO HDy 1 81 GLN HA 1.0 1.5 2.7 512 324 1 82 PRO HA 1 82 PRO HBy 1.0 1.5 2.7 513 324 1 82 PRO HA 1 82 PRO HBx 1.0 1.5 2.7 514 325 1 82 PRO HBy 1 82 PRO HGx 1.0 1.5 2.7 515 325 1 82 PRO HBx 1 82 PRO HGx 1.0 1.5 2.7 516 325 1 82 PRO HGy 1 82 PRO HBy 1.0 1.5 2.7 517 325 1 82 PRO HBx 1 82 PRO HGy 1.0 1.5 2.7 518 326 1 82 PRO HDx 1 82 PRO HGx 1.0 1.5 2.7 519 326 1 82 PRO HDy 1 82 PRO HGx 1.0 1.5 2.7 520 326 1 82 PRO HGy 1 82 PRO HDx 1.0 1.5 2.7 521 326 1 82 PRO HDy 1 82 PRO HGy 1.0 1.5 2.7 522 327 1 83 HIS HA 1 83 HIS HBy 1.0 1.5 2.7 523 327 1 83 HIS HBx 1 83 HIS HA 1.0 1.5 2.7 524 328 1 84 HIS HB3 1 84 HIS HA 1.0 1.5 3.3 525 329 1 84 HIS HB2 1 84 HIS HA 1.0 1.5 2.7 526 330 1 85 GLU HA 1 85 GLU HGx 1.0 1.5 2.7 527 330 1 85 GLU HGy 1 85 GLU HA 1.0 1.5 2.7 528 331 1 85 GLU HA 1 85 GLU HBy 1.0 1.5 2.7 529 331 1 85 GLU HBx 1 85 GLU HA 1.0 1.5 2.7 530 332 1 85 GLU H 1 85 GLU HA 1.0 1.5 2.7 531 333 1 89 LYS H 1 85 GLU HA 1.0 1.5 5.5 532 334 1 85 GLU HA 1 90 THR HA 1.0 1.5 2.7 533 335 1 85 GLU H 1 85 GLU HBy 1.0 1.5 3.3 534 335 1 85 GLU H 1 85 GLU HBx 1.0 1.5 3.3 535 336 1 86 LEU HD1% 1 86 LEU HA 1.0 1.5 2.7 536 337 1 86 LEU HA 1 86 LEU HG 1.0 1.5 3.3 537 338 1 86 LEU HD1% 1 86 LEU HD2% 1.0 1.5 2.7 538 339 1 32 THR HG2% 1 86 LEU HD2% 1.0 1.5 3.3 539 340 1 86 LEU HD1% 1 40 TYR HB2 1.0 1.5 4.0 540 340 1 86 LEU HD1% 1 40 TYR HB3 1.0 1.5 4.0 541 341 1 87 ASP HA 1 87 ASP HB3 1.0 1.5 3.3 542 341 1 87 ASP HB2 1 87 ASP HA 1.0 1.5 3.3 543 342 1 88 SER HA 1 88 SER HBy 1.0 1.5 3.3 544 342 1 88 SER HA 1 88 SER HBx 1.0 1.5 3.3 545 343 1 89 LYS HA 1 89 LYS HBy 1.0 1.5 2.7 546 343 1 89 LYS HA 1 89 LYS HBx 1.0 1.5 2.7 547 344 1 89 LYS HBy 1 89 LYS HGx 1.0 1.5 2.7 548 344 1 89 LYS HBx 1 89 LYS HGx 1.0 1.5 2.7 549 344 1 89 LYS HGy 1 89 LYS HBy 1.0 1.5 2.7 550 344 1 89 LYS HGy 1 89 LYS HBx 1.0 1.5 2.7 551 345 1 89 LYS HDx 1 89 LYS HGx 1.0 1.5 2.7 552 345 1 89 LYS HDy 1 89 LYS HGx 1.0 1.5 2.7 553 345 1 89 LYS HGy 1 89 LYS HDx 1.0 1.5 2.7 554 345 1 89 LYS HGy 1 89 LYS HDy 1.0 1.5 2.7 555 346 1 89 LYS HDy 1 89 LYS HEx 1.0 1.5 2.7 556 346 1 89 LYS HDx 1 89 LYS HEx 1.0 1.5 2.7 557 346 1 89 LYS HEy 1 89 LYS HDx 1.0 1.5 2.7 558 346 1 89 LYS HDy 1 89 LYS HEy 1.0 1.5 2.7 559 347 1 90 THR HG2% 1 90 THR HA 1.0 1.5 2.7 560 348 1 90 THR HA 1 85 GLU HBy 1.0 1.5 5.5 561 348 1 85 GLU HBx 1 90 THR HA 1.0 1.5 5.5 562 349 1 91 ILE HA 1 90 THR HA 1.0 1.5 4.5 563 350 1 28 LEU HA 1 91 ILE HD1% 1.0 1.5 2.7 564 351 1 91 ILE HD1% 1 86 LEU HD2% 1.0 1.5 4.0 565 352 1 86 LEU HG 1 91 ILE HD1% 1.0 1.5 5.5 566 353 1 91 ILE HD1% 1 91 ILE HG2% 1.0 1.5 4.0 567 354 1 91 ILE HA 1 91 ILE HB 1.0 1.5 2.7 568 355 1 91 ILE HB 1 91 ILE HG13 1.0 1.5 2.7 569 356 1 91 ILE HB 1 91 ILE HG12 1.0 1.5 2.7 570 357 1 91 ILE HG2% 1 91 ILE HB 1.0 1.5 2.7 571 358 1 92 ASP HA 1 93 PRO HDy 1.0 1.5 2.7 572 358 1 92 ASP HA 1 93 PRO HDx 1.0 1.5 2.7 573 359 1 92 ASP HA 1 93 PRO HBx 1.0 1.5 5.5 574 359 1 92 ASP HA 1 93 PRO HBy 1.0 1.5 5.5 575 360 1 92 ASP HA 1 92 ASP HB3 1.0 1.5 3.3 576 360 1 92 ASP HA 1 92 ASP HB2 1.0 1.5 3.3 577 361 1 26 GLY H 1 93 PRO HA 1.0 1.5 3.3 578 362 1 93 PRO HA 1 94 LYS HBx 1.0 1.5 5.5 579 362 1 93 PRO HA 1 94 LYS HBy 1.0 1.5 5.5 580 363 1 93 PRO HA 1 93 PRO HBx 1.0 1.5 2.7 581 363 1 93 PRO HA 1 93 PRO HBy 1.0 1.5 2.7 582 364 1 93 PRO HBy 1 93 PRO HGy 1.0 1.5 2.7 583 364 1 93 PRO HGx 1 93 PRO HBx 1.0 1.5 2.7 584 364 1 93 PRO HBy 1 93 PRO HGx 1.0 1.5 2.7 585 364 1 93 PRO HBx 1 93 PRO HGy 1.0 1.5 2.7 586 365 1 93 PRO HDy 1 93 PRO HGy 1.0 1.5 2.7 587 365 1 93 PRO HDx 1 93 PRO HGy 1.0 1.5 2.7 588 365 1 93 PRO HGx 1 93 PRO HDy 1.0 1.5 2.7 589 365 1 93 PRO HDx 1 93 PRO HGx 1.0 1.5 2.7 590 366 1 94 LYS HA 1 94 LYS HBx 1.0 1.5 2.7 591 366 1 94 LYS HBy 1 94 LYS HA 1.0 1.5 2.7 592 367 1 94 LYS HBx 1 94 LYS HGx 1.0 1.5 2.7 593 367 1 94 LYS HBy 1 94 LYS HGx 1.0 1.5 2.7 594 367 1 94 LYS HGy 1 94 LYS HBx 1.0 1.5 2.7 595 367 1 94 LYS HBy 1 94 LYS HGy 1.0 1.5 2.7 596 368 1 94 LYS HDy 1 94 LYS HGx 1.0 1.5 2.7 597 368 1 94 LYS HDx 1 94 LYS HGx 1.0 1.5 2.7 598 368 1 94 LYS HGy 1 94 LYS HDx 1.0 1.5 2.7 599 368 1 94 LYS HGy 1 94 LYS HDy 1.0 1.5 2.7 600 369 1 94 LYS HDy 1 94 LYS HEx 1.0 1.5 2.7 601 369 1 94 LYS HDx 1 94 LYS HEx 1.0 1.5 2.7 602 369 1 94 LYS HEy 1 94 LYS HDx 1.0 1.5 2.7 603 369 1 94 LYS HEy 1 94 LYS HDy 1.0 1.5 2.7 604 370 1 95 VAL HA 1 95 VAL HB 1.0 1.5 2.7 605 371 1 95 VAL HA 1 95 VAL HGx% 1.0 1.5 3.3 606 372 1 95 VAL HA 1 95 VAL HGy% 1.0 1.5 3.3 607 373 1 95 VAL HB 1 95 VAL HGx% 1.0 1.5 2.7 608 374 1 95 VAL HB 1 95 VAL HGy% 1.0 1.5 2.7 609 375 1 96 ALA HA 1 96 ALA HB% 1.0 1.5 2.7 610 376 1 97 PHE HA 1 97 PHE HBy 1.0 1.5 3.3 611 376 1 97 PHE HA 1 97 PHE HBx 1.0 1.5 3.3 612 377 1 97 PHE HD% 1 97 PHE HE% 1.0 1.5 2.7 613 378 1 97 PHE HA 1 98 PRO HDy 1.0 1.5 2.7 614 378 1 97 PHE HA 1 98 PRO HDx 1.0 1.5 2.7 615 379 1 98 PRO HA 1 98 PRO HBy 1.0 1.5 2.7 616 379 1 98 PRO HA 1 98 PRO HBx 1.0 1.5 2.7 617 380 1 98 PRO HBy 1 98 PRO HGy 1.0 1.5 2.7 618 380 1 98 PRO HBx 1 98 PRO HGy 1.0 1.5 2.7 619 380 1 98 PRO HGx 1 98 PRO HBy 1.0 1.5 2.7 620 380 1 98 PRO HGx 1 98 PRO HBx 1.0 1.5 2.7 621 381 1 98 PRO HDx 1 98 PRO HGy 1.0 1.5 2.7 622 381 1 98 PRO HGx 1 98 PRO HDy 1.0 1.5 2.7 623 381 1 98 PRO HGx 1 98 PRO HDx 1.0 1.5 2.7 624 381 1 98 PRO HDy 1 98 PRO HGy 1.0 1.5 2.7 625 382 1 99 ARG HA 1 99 ARG HDx 1.0 1.5 5.5 626 382 1 99 ARG HA 1 99 ARG HDy 1.0 1.5 5.5 627 383 1 99 ARG HA 1 99 ARG HBx 1.0 1.5 2.7 628 383 1 99 ARG HBy 1 99 ARG HA 1.0 1.5 2.7 629 384 1 99 ARG HA 1 99 ARG HGx 1.0 1.5 3.3 630 384 1 99 ARG HA 1 99 ARG HGy 1.0 1.5 3.3 631 385 1 101 ALA HA 1 101 ALA HB% 1.0 1.5 2.7 632 386 1 102 GLN HA 1 103 PRO HDy 1.0 1.5 2.7 633 386 1 102 GLN HA 1 103 PRO HDx 1.0 1.5 2.7 634 387 1 102 GLN HA 1 102 GLN HBx 1.0 1.5 2.7 635 387 1 102 GLN HBy 1 102 GLN HA 1.0 1.5 2.7 636 388 1 102 GLN HA 1 102 GLN HGx 1.0 1.5 3.3 637 388 1 102 GLN HGy 1 102 GLN HA 1.0 1.5 3.3 638 389 1 105 MET HA 1 105 MET HE% 1.0 1.5 5.5 639 390 1 107 THR HB 1 107 THR HG2% 1.0 1.5 2.7 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 1 67 VAL H 1 23 MET O 1.0 1.7 2.4 2 2 1 23 MET O 1 67 VAL N 1.0 2.7 3.2 3 3 1 23 MET H 1 67 VAL O 1.0 1.7 2.4 4 4 1 67 VAL O 1 23 MET N 1.0 2.7 3.2 5 5 1 94 LYS H 1 24 PHE O 1.0 1.7 2.4 6 6 1 24 PHE O 1 94 LYS N 1.0 2.7 3.2 7 7 1 24 PHE H 1 94 LYS O 1.0 1.7 2.4 8 8 1 94 LYS O 1 24 PHE N 1.0 2.7 3.2 9 9 1 65 GLY H 1 25 ILE O 1.0 1.7 2.4 10 10 1 25 ILE O 1 65 GLY N 1.0 2.7 3.2 11 11 1 25 ILE H 1 65 GLY O 1.0 1.7 2.4 12 12 1 65 GLY O 1 25 ILE N 1.0 2.7 3.2 13 13 1 92 ASP H 1 26 GLY O 1.0 1.7 2.4 14 14 1 26 GLY O 1 92 ASP N 1.0 2.7 3.2 15 15 1 26 GLY H 1 92 ASP O 1.0 1.7 2.4 16 16 1 92 ASP O 1 26 GLY N 1.0 2.7 3.2 17 17 1 66 PHE H 1 51 MET O 1.0 1.7 2.4 18 18 1 51 MET O 1 66 PHE N 1.0 2.7 3.2 19 19 1 51 MET H 1 66 PHE O 1.0 1.7 2.4 20 20 1 66 PHE O 1 51 MET N 1.0 2.7 3.2 21 21 1 68 THR H 1 49 GLU O 1.0 1.7 2.4 22 22 1 49 GLU O 1 68 THR N 1.0 2.7 3.2 23 23 1 49 GLU H 1 68 THR O 1.0 1.7 2.4 24 24 1 68 THR O 1 49 GLU N 1.0 2.7 3.2 25 25 1 89 LYS H 1 86 LEU O 1.0 1.7 2.4 26 26 1 86 LEU O 1 89 LYS N 1.0 2.7 3.2 27 27 1 86 LEU H 1 89 LYS O 1.0 1.7 2.4 28 28 1 89 LYS O 1 86 LEU N 1.0 2.7 3.2 29 29 1 43 LYS H 1 40 TYR O 1.0 1.7 2.4 30 30 1 42 SER H 1 38 ARG O 1.0 1.7 2.4 31 31 1 41 PHE H 1 37 LEU O 1.0 1.7 2.4 32 32 1 40 TYR H 1 36 SER O 1.0 1.7 2.4 33 33 1 39 ASP H 1 35 ASP O 1.0 1.7 2.4 34 34 1 38 ARG H 1 34 PRO O 1.0 1.7 2.4 35 35 1 77 LYS H 1 73 ALA O 1.0 1.7 2.4 36 36 1 78 VAL H 1 74 SER O 1.0 1.7 2.4 37 37 1 79 LEU H 1 75 VAL O 1.0 1.7 2.4 38 38 1 80 GLY H 1 76 ASP O 1.0 1.7 2.4 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type . _nef_dihedral_restraint_list.restraint_origin . save_ save_CNS/XPLOR_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_6 _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 1 12 GLU C 1 13 ASN N 1 13 ASN CA 1 13 ASN C 1.0 -79.0 -55.0 PHI 2 2 1 13 ASN C 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1.0 -92.0 -48.0 PHI 3 3 1 14 LEU C 1 15 TYR N 1 15 TYR CA 1 15 TYR C 1.0 -99.0 -43.0 PHI 4 4 1 21 GLY C 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1.0 -120.0 -60.0 PHI 5 5 1 22 LYS C 1 23 MET N 1 23 MET CA 1 23 MET C 1.0 -167.0 -79.0 PHI 6 6 1 23 MET C 1 24 PHE N 1 24 PHE CA 1 24 PHE C 1.0 -140.0 -92.0 PHI 7 7 1 24 PHE C 1 25 ILE N 1 25 ILE CA 1 25 ILE C 1.0 -135.0 -91.0 PHI 8 8 1 25 ILE C 1 26 GLY N 1 26 GLY CA 1 26 GLY C 1.0 -166.0 -78.0 PHI 9 9 1 26 GLY C 1 27 GLY N 1 27 GLY CA 1 27 GLY C 1.0 50.0 100.0 PHI 10 10 1 27 GLY C 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1.0 -118.0 -46.0 PHI 11 11 1 28 LEU C 1 29 SER N 1 29 SER CA 1 29 SER C 1.0 -157.0 -13.0 PHI 12 12 1 29 SER C 1 30 TRP N 1 30 TRP CA 1 30 TRP C 1.0 -74.0 -50.0 PHI 13 13 1 30 TRP C 1 31 GLN N 1 31 GLN CA 1 31 GLN C 1.0 -126.0 -66.0 PHI 14 14 1 31 GLN C 1 32 THR N 1 32 THR CA 1 32 THR C 1.0 -111.0 -39.0 PHI 15 15 1 32 THR C 1 33 SER N 1 33 SER CA 1 33 SER C 1.0 -125.0 -31.0 PHI 16 16 1 33 SER C 1 34 PRO N 1 34 PRO CA 1 34 PRO C 1.0 -64.0 -40.0 PHI 17 17 1 34 PRO C 1 35 ASP N 1 35 ASP CA 1 35 ASP C 1.0 -79.0 -55.0 PHI 18 18 1 35 ASP C 1 36 SER N 1 36 SER CA 1 36 SER C 1.0 -70.0 -54.0 PHI 19 19 1 36 SER C 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1.0 -72.0 -54.0 PHI 20 20 1 37 LEU C 1 38 ARG N 1 38 ARG CA 1 38 ARG C 1.0 -78.0 -50.0 PHI 21 21 1 38 ARG C 1 39 ASP N 1 39 ASP CA 1 39 ASP C 1.0 -74.0 -56.0 PHI 22 22 1 39 ASP C 1 40 TYR N 1 40 TYR CA 1 40 TYR C 1.0 -71.0 -57.0 PHI 23 23 1 40 TYR C 1 41 PHE N 1 41 PHE CA 1 41 PHE C 1.0 -70.0 -52.0 PHI 24 24 1 41 PHE C 1 42 SER N 1 42 SER CA 1 42 SER C 1.0 -77.0 -53.0 PHI 25 25 1 42 SER C 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1.0 -85.0 -55.0 PHI 26 26 1 43 LYS C 1 44 PHE N 1 44 PHE CA 1 44 PHE C 1.0 -133.0 -53.0 PHI 27 27 1 45 GLY C 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1.0 -138.0 -50.0 PHI 28 28 1 46 GLU C 1 47 ILE N 1 47 ILE CA 1 47 ILE C 1.0 -142.0 -26.0 PHI 29 29 1 47 ILE C 1 48 ARG N 1 48 ARG CA 1 48 ARG C 1.0 -126.0 -70.0 PHI 30 30 1 48 ARG C 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1.0 -175.0 -115.0 PHI 31 31 1 49 GLU C 1 50 CYS N 1 50 CYS CA 1 50 CYS C 1.0 -156.0 -96.0 PHI 32 32 1 50 CYS C 1 51 MET N 1 51 MET CA 1 51 MET C 1.0 -174.0 -86.0 PHI 33 33 1 51 MET C 1 52 VAL N 1 52 VAL CA 1 52 VAL C 1.0 -156.0 -62.0 PHI 34 34 1 52 VAL C 1 53 MET N 1 53 MET CA 1 53 MET C 1.0 -113.0 -69.0 PHI 35 35 1 53 MET C 1 54 ARG N 1 54 ARG CA 1 54 ARG C 1.0 -137.0 -77.0 PHI 36 36 1 54 ARG C 1 55 ASP N 1 55 ASP CA 1 55 ASP C 1.0 -117.0 -43.0 PHI 37 37 1 55 ASP C 1 56 PRO N 1 56 PRO CA 1 56 PRO C 1.0 -81.0 -49.0 PHI 38 38 1 56 PRO C 1 57 THR N 1 57 THR CA 1 57 THR C 1.0 -80.0 -48.0 PHI 39 39 1 57 THR C 1 58 THR N 1 58 THR CA 1 58 THR C 1.0 -129.0 -69.0 PHI 40 40 1 58 THR C 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1.0 45.0 77.0 PHI 41 41 1 59 LYS C 1 60 ARG N 1 60 ARG CA 1 60 ARG C 1.0 -124.0 -52.0 PHI 42 42 1 60 ARG C 1 61 SER N 1 61 SER CA 1 61 SER C 1.0 -198.0 42.0 PHI 43 43 1 61 SER C 1 62 ARG N 1 62 ARG CA 1 62 ARG C 1.0 -137.0 -65.0 PHI 44 44 1 62 ARG C 1 63 GLY N 1 63 GLY CA 1 63 GLY C 1.0 44.0 92.0 PHI 45 45 1 63 GLY C 1 64 PHE N 1 64 PHE CA 1 64 PHE C 1.0 -181.0 -87.0 PHI 46 46 1 65 GLY C 1 66 PHE N 1 66 PHE CA 1 66 PHE C 1.0 -175.0 -115.0 PHI 47 47 1 66 PHE C 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1.0 -174.0 -98.0 PHI 48 48 1 67 VAL C 1 68 THR N 1 68 THR CA 1 68 THR C 1.0 -121.0 -81.0 PHI 49 49 1 68 THR C 1 69 PHE N 1 69 PHE CA 1 69 PHE C 1.0 -131.0 -39.0 PHI 50 50 1 69 PHE C 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1.0 -105.0 -53.0 PHI 51 51 1 70 ALA C 1 71 ASP N 1 71 ASP CA 1 71 ASP C 1.0 -173.0 -49.0 PHI 52 52 1 71 ASP C 1 72 PRO N 1 72 PRO CA 1 72 PRO C 1.0 -73.0 -41.0 PHI 53 53 1 72 PRO C 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1.0 -77.0 -53.0 PHI 54 54 1 73 ALA C 1 74 SER N 1 74 SER CA 1 74 SER C 1.0 -68.0 -56.0 PHI 55 55 1 74 SER C 1 75 VAL N 1 75 VAL CA 1 75 VAL C 1.0 -70.0 -56.0 PHI 56 56 1 75 VAL C 1 76 ASP N 1 76 ASP CA 1 76 ASP C 1.0 -72.0 -52.0 PHI 57 57 1 76 ASP C 1 77 LYS N 1 77 LYS CA 1 77 LYS C 1.0 -71.0 -57.0 PHI 58 58 1 77 LYS C 1 78 VAL N 1 78 VAL CA 1 78 VAL C 1.0 -86.0 -46.0 PHI 59 59 1 78 VAL C 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1.0 -101.0 -49.0 PHI 60 60 1 80 GLY C 1 81 GLN N 1 81 GLN CA 1 81 GLN C 1.0 -133.0 -49.0 PHI 61 61 1 81 GLN C 1 82 PRO N 1 82 PRO CA 1 82 PRO C 1.0 -85.0 -45.0 PHI 62 62 1 82 PRO C 1 83 HIS N 1 83 HIS CA 1 83 HIS C 1.0 -178.0 -82.0 PHI 63 63 1 83 HIS C 1 84 HIS N 1 84 HIS CA 1 84 HIS C 1.0 -159.0 -99.0 PHI 64 64 1 84 HIS C 1 85 GLU N 1 85 GLU CA 1 85 GLU C 1.0 -175.0 -103.0 PHI 65 65 1 85 GLU C 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1.0 -167.0 -115.0 PHI 66 66 1 86 LEU C 1 87 ASP N 1 87 ASP CA 1 87 ASP C 1.0 44.0 60.0 PHI 67 67 1 87 ASP C 1 88 SER N 1 88 SER CA 1 88 SER C 1.0 45.0 89.0 PHI 68 68 1 88 SER C 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1.0 -151.0 -71.0 PHI 69 69 1 89 LYS C 1 90 THR N 1 90 THR CA 1 90 THR C 1.0 -87.0 -55.0 PHI 70 70 1 90 THR C 1 91 ILE N 1 91 ILE CA 1 91 ILE C 1.0 -131.0 -91.0 PHI 71 71 1 91 ILE C 1 92 ASP N 1 92 ASP CA 1 92 ASP C 1.0 -164.0 -96.0 PHI 72 72 1 92 ASP C 1 93 PRO N 1 93 PRO CA 1 93 PRO C 1.0 -82.0 -54.0 PHI 73 73 1 93 PRO C 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1.0 -169.0 -89.0 PHI 74 74 1 94 LYS C 1 95 VAL N 1 95 VAL CA 1 95 VAL C 1.0 -124.0 -36.0 PHI 75 75 1 96 ALA C 1 97 PHE N 1 97 PHE CA 1 97 PHE C 1.0 -141.0 -69.0 PHI 76 76 1 97 PHE C 1 98 PRO N 1 98 PRO CA 1 98 PRO C 1.0 -84.0 -56.0 PHI 77 77 1 10 GLY N 1 10 GLY CA 1 10 GLY C 1 11 THR N 1.0 71.0 203.0 PSI 78 78 1 23 MET N 1 23 MET CA 1 23 MET C 1 24 PHE N 1.0 109.0 151.0 PSI 79 79 1 24 PHE N 1 24 PHE CA 1 24 PHE C 1 25 ILE N 1.0 101.0 143.0 PSI 80 80 1 25 ILE N 1 25 ILE CA 1 25 ILE C 1 26 GLY N 1.0 106.0 150.0 PSI 81 81 1 26 GLY N 1 26 GLY CA 1 26 GLY C 1 27 GLY N 1.0 110.0 222.0 PSI 82 82 1 27 GLY N 1 27 GLY CA 1 27 GLY C 1 28 LEU N 1.0 21.0 65.0 PSI 83 83 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 SER N 1.0 131.0 171.0 PSI 84 84 1 29 SER N 1 29 SER CA 1 29 SER C 1 30 TRP N 1.0 88.0 174.0 PSI 85 85 1 30 TRP N 1 30 TRP CA 1 30 TRP C 1 31 GLN N 1.0 -42.0 -2.0 PSI 86 86 1 31 GLN N 1 31 GLN CA 1 31 GLN C 1 32 THR N 1.0 -30.0 44.0 PSI 87 87 1 32 THR N 1 32 THR CA 1 32 THR C 1 33 SER N 1.0 115.0 149.0 PSI 88 88 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 PRO N 1.0 111.0 181.0 PSI 89 89 1 34 PRO N 1 34 PRO CA 1 34 PRO C 1 35 ASP N 1.0 -48.0 -26.0 PSI 90 90 1 35 ASP N 1 35 ASP CA 1 35 ASP C 1 36 SER N 1.0 -55.0 -15.0 PSI 91 91 1 36 SER N 1 36 SER CA 1 36 SER C 1 37 LEU N 1.0 -50.0 -36.0 PSI 92 92 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 ARG N 1.0 -56.0 -32.0 PSI 93 93 1 38 ARG N 1 38 ARG CA 1 38 ARG C 1 39 ASP N 1.0 -49.0 -29.0 PSI 94 94 1 39 ASP N 1 39 ASP CA 1 39 ASP C 1 40 TYR N 1.0 -47.0 -37.0 PSI 95 95 1 40 TYR N 1 40 TYR CA 1 40 TYR C 1 41 PHE N 1.0 -56.0 -32.0 PSI 96 96 1 41 PHE N 1 41 PHE CA 1 41 PHE C 1 42 SER N 1.0 -57.0 -27.0 PSI 97 97 1 42 SER N 1 42 SER CA 1 42 SER C 1 43 LYS N 1.0 -55.0 -15.0 PSI 98 98 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 PHE N 1.0 -49.0 -1.0 PSI 99 99 1 44 PHE N 1 44 PHE CA 1 44 PHE C 1 45 GLY N 1.0 -44.0 26.0 PSI 100 100 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 ILE N 1.0 111.0 163.0 PSI 101 101 1 47 ILE N 1 47 ILE CA 1 47 ILE C 1 48 ARG N 1.0 95.0 163.0 PSI 102 102 1 48 ARG N 1 48 ARG CA 1 48 ARG C 1 49 GLU N 1.0 -56.0 -12.0 PSI 103 103 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 CYS N 1.0 135.0 157.0 PSI 104 104 1 50 CYS N 1 50 CYS CA 1 50 CYS C 1 51 MET N 1.0 101.0 157.0 PSI 105 105 1 51 MET N 1 51 MET CA 1 51 MET C 1 52 VAL N 1.0 116.0 172.0 PSI 106 106 1 52 VAL N 1 52 VAL CA 1 52 VAL C 1 53 MET N 1.0 107.0 159.0 PSI 107 107 1 53 MET N 1 53 MET CA 1 53 MET C 1 54 ARG N 1.0 89.0 169.0 PSI 108 108 1 54 ARG N 1 54 ARG CA 1 54 ARG C 1 55 ASP N 1.0 114.0 162.0 PSI 109 109 1 55 ASP N 1 55 ASP CA 1 55 ASP C 1 56 PRO N 1.0 92.0 180.0 PSI 110 110 1 56 PRO N 1 56 PRO CA 1 56 PRO C 1 57 THR N 1.0 -39.0 -9.0 PSI 111 111 1 57 THR N 1 57 THR CA 1 57 THR C 1 58 THR N 1.0 -43.0 -7.0 PSI 112 112 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 LYS N 1.0 -27.0 17.0 PSI 113 113 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1 60 ARG N 1.0 13.0 53.0 PSI 114 114 1 60 ARG N 1 60 ARG CA 1 60 ARG C 1 61 SER N 1.0 123.0 171.0 PSI 115 115 1 61 SER N 1 61 SER CA 1 61 SER C 1 62 ARG N 1.0 93.0 161.0 PSI 116 116 1 62 ARG N 1 62 ARG CA 1 62 ARG C 1 63 GLY N 1.0 -96.0 64.0 PSI 117 117 1 63 GLY N 1 63 GLY CA 1 63 GLY C 1 64 PHE N 1.0 7.0 67.0 PSI 118 118 1 64 PHE N 1 64 PHE CA 1 64 PHE C 1 65 GLY N 1.0 135.0 175.0 PSI 119 119 1 65 GLY N 1 65 GLY CA 1 65 GLY C 1 66 PHE N 1.0 129.0 209.0 PSI 120 120 1 66 PHE N 1 66 PHE CA 1 66 PHE C 1 67 VAL N 1.0 136.0 168.0 PSI 121 121 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1 68 THR N 1.0 100.0 168.0 PSI 122 122 1 68 THR N 1 68 THR CA 1 68 THR C 1 69 PHE N 1.0 99.0 139.0 PSI 123 123 1 69 PHE N 1 69 PHE CA 1 69 PHE C 1 70 ALA N 1.0 114.0 174.0 PSI 124 124 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 ASP N 1.0 -80.0 16.0 PSI 125 125 1 71 ASP N 1 71 ASP CA 1 71 ASP C 1 72 PRO N 1.0 62.0 166.0 PSI 126 126 1 72 PRO N 1 72 PRO CA 1 72 PRO C 1 73 ALA N 1.0 -47.0 -17.0 PSI 127 127 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1 74 SER N 1.0 -53.0 -13.0 PSI 128 128 1 74 SER N 1 74 SER CA 1 74 SER C 1 75 VAL N 1.0 -56.0 -32.0 PSI 129 129 1 75 VAL N 1 75 VAL CA 1 75 VAL C 1 76 ASP N 1.0 -60.0 -20.0 PSI 130 130 1 76 ASP N 1 76 ASP CA 1 76 ASP C 1 77 LYS N 1.0 -53.0 -27.0 PSI 131 131 1 77 LYS N 1 77 LYS CA 1 77 LYS C 1 78 VAL N 1.0 -52.0 -30.0 PSI 132 132 1 78 VAL N 1 78 VAL CA 1 78 VAL C 1 79 LEU N 1.0 -59.0 -33.0 PSI 133 133 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 GLY N 1.0 -48.0 22.0 PSI 134 134 1 81 GLN N 1 81 GLN CA 1 81 GLN C 1 82 PRO N 1.0 70.0 170.0 PSI 135 135 1 82 PRO N 1 82 PRO CA 1 82 PRO C 1 83 HIS N 1.0 -35.0 -7.0 PSI 136 136 1 83 HIS N 1 83 HIS CA 1 83 HIS C 1 84 HIS N 1.0 76.0 172.0 PSI 137 137 1 84 HIS N 1 84 HIS CA 1 84 HIS C 1 85 GLU N 1.0 105.0 161.0 PSI 138 138 1 85 GLU N 1 85 GLU CA 1 85 GLU C 1 86 LEU N 1.0 136.0 176.0 PSI 139 139 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 ASP N 1.0 108.0 148.0 PSI 140 140 1 87 ASP N 1 87 ASP CA 1 87 ASP C 1 88 SER N 1.0 38.0 52.0 PSI 141 141 1 88 SER N 1 88 SER CA 1 88 SER C 1 89 LYS N 1.0 -14.0 46.0 PSI 142 142 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1 90 THR N 1.0 116.0 152.0 PSI 143 143 1 90 THR N 1 90 THR CA 1 90 THR C 1 91 ILE N 1.0 108.0 156.0 PSI 144 144 1 92 ASP N 1 92 ASP CA 1 92 ASP C 1 93 PRO N 1.0 18.0 198.0 PSI 145 145 1 93 PRO N 1 93 PRO CA 1 93 PRO C 1 94 LYS N 1.0 125.0 169.0 PSI 146 146 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 VAL N 1.0 133.0 185.0 PSI 147 147 1 95 VAL N 1 95 VAL CA 1 95 VAL C 1 96 ALA N 1.0 107.0 165.0 PSI 148 148 1 97 PHE N 1 97 PHE CA 1 97 PHE C 1 98 PRO N 1.0 75.0 171.0 PSI stop_ save_