data_nef_c16585_2kq3 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ALA start . . 2 A 2 THR middle . . 3 A 3 SER middle . . 4 A 4 THR middle . . 5 A 5 LYS middle . . 6 A 6 LYS middle . . 7 A 7 LEU middle . . 8 A 8 HIS middle . . 9 A 9 LYS middle . . 10 A 10 GLU middle . . 11 A 11 PRO middle . false 12 A 12 ALA middle . . 13 A 13 THR middle . . 14 A 14 LEU middle . . 15 A 15 ILE middle . . 16 A 16 LYS middle . . 17 A 17 ALA middle . . 18 A 18 ILE middle . . 19 A 19 ASP middle . . 20 A 20 GLY middle . false 21 A 21 ASP middle . . 22 A 22 THR middle . . 23 A 23 VAL middle . . 24 A 24 LYS middle . . 25 A 25 LEU middle . . 26 A 26 MET middle . . 27 A 27 TYR middle . . 28 A 28 LYS middle . . 29 A 29 GLY middle . false 30 A 30 GLN middle . . 31 A 31 PRO middle . false 32 A 32 MET middle . . 33 A 33 THR middle . . 34 A 34 PHE middle . . 35 A 35 ARG middle . . 36 A 36 LEU middle . . 37 A 37 LEU middle . . 38 A 38 LEU middle . . 39 A 39 VAL middle . . 40 A 40 ASP middle . . 41 A 41 THR middle . . 42 A 42 PRO middle . false 43 A 43 GLU middle . . 44 A 44 THR middle . . 45 A 45 LYS middle . . 46 A 46 HIS middle . . 47 A 47 PRO middle . false 48 A 48 LYS middle . . 49 A 49 LYS middle . . 50 A 50 GLY middle . false 51 A 51 VAL middle . . 52 A 52 GLU middle . . 53 A 53 LYS middle . . 54 A 54 TYR middle . . 55 A 55 GLY middle . false 56 A 56 PRO middle . false 57 A 57 GLU middle . . 58 A 58 ALA middle . . 59 A 59 SER middle . . 60 A 60 ALA middle . . 61 A 61 PHE middle . . 62 A 62 THR middle . . 63 A 63 LYS middle . . 64 A 64 LYS middle . . 65 A 65 MET middle . . 66 A 66 VAL middle . . 67 A 67 GLU middle . . 68 A 68 ASN middle . . 69 A 69 ALA middle . . 70 A 70 LYS middle . . 71 A 71 LYS middle . . 72 A 72 ILE middle . . 73 A 73 GLU middle . . 74 A 74 VAL middle . . 75 A 75 GLU middle . . 76 A 76 PHE middle . . 77 A 77 ASP middle . . 78 A 78 LYS middle . . 79 A 79 GLY middle . false 80 A 80 GLN middle . . 81 A 81 ARG middle . . 82 A 82 THR middle . . 83 A 83 ASP middle . . 84 A 84 LYS middle . . 85 A 85 TYR middle . . 86 A 86 GLY middle . false 87 A 87 ARG middle . . 88 A 88 GLY middle . false 89 A 89 LEU middle . . 90 A 90 ALA middle . . 91 A 91 TYR middle . . 92 A 92 ILE middle . . 93 A 93 TYR middle . . 94 A 94 ALA middle . . 95 A 95 ASP middle . . 96 A 96 GLY middle . false 97 A 97 LYS middle . . 98 A 98 MET middle . . 99 A 99 VAL middle . . 100 A 100 ASN middle . . 101 A 101 GLU middle . . 102 A 102 ALA middle . . 103 A 103 LEU middle . . 104 A 104 VAL middle . . 105 A 105 ARG middle . . 106 A 106 GLN middle . . 107 A 107 GLY middle . false 108 A 108 LEU middle . . 109 A 109 ALA middle . . 110 A 110 LYS middle . . 111 A 111 VAL middle . . 112 A 112 ALA middle . . 113 A 113 TYR middle . . 114 A 114 VAL middle . . 115 A 115 TYR middle . . 116 A 116 LYS middle . . 117 A 117 PRO middle . true 118 A 118 ASN middle . . 119 A 119 ASN middle . . 120 A 120 THR middle . . 121 A 121 HIS middle . . 122 A 122 GLU middle . . 123 A 123 GLN middle . . 124 A 124 LEU middle . . 125 A 125 LEU middle . . 126 A 126 ARG middle . . 127 A 127 LYS middle . . 128 A 128 SER middle . . 129 A 129 GLU middle . . 130 A 130 ALA middle . . 131 A 131 GLN middle . . 132 A 132 ALA middle . . 133 A 133 LYS middle . . 134 A 134 LYS middle . . 135 A 135 GLU middle . . 136 A 136 LYS middle . . 137 A 137 LEU middle . . 138 A 138 ASN middle . . 139 A 139 ILE middle . . 140 A 140 TRP end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ALA HA H 1 4.24 0.02 A 1 ALA HB% H 1 1.59 0.02 A 1 ALA CA C 13 51.85 0.3 A 1 ALA CB C 13 19.42 0.3 A 2 THR H H 1 8.63 0.02 A 2 THR HA H 1 4.45 0.02 A 2 THR HB H 1 4.24 0.02 A 2 THR HG2% H 1 1.26 0.02 A 2 THR C C 13 174.89 0.3 A 2 THR CA C 13 62.04 0.3 A 2 THR CB C 13 69.80 0.3 A 2 THR CG2 C 13 21.71 0.3 A 2 THR N N 15 115.13 0.3 A 3 SER H H 1 8.54 0.02 A 3 SER HA H 1 4.59 0.02 A 3 SER HBx H 1 3.90 0.02 A 3 SER HBy H 1 3.93 0.02 A 3 SER C C 13 174.83 0.3 A 3 SER CA C 13 58.22 0.3 A 3 SER CB C 13 64.06 0.3 A 3 SER N N 15 118.94 0.3 A 4 THR H H 1 8.32 0.02 A 4 THR HA H 1 4.39 0.02 A 4 THR HB H 1 4.27 0.02 A 4 THR HG2% H 1 1.23 0.02 A 4 THR CA C 13 61.94 0.3 A 4 THR CB C 13 69.77 0.3 A 4 THR CG2 C 13 21.92 0.3 A 4 THR N N 15 116.94 0.3 A 5 LYS H H 1 8.35 0.02 A 5 LYS HA H 1 4.37 0.02 A 5 LYS HB2 H 1 1.80 0.02 A 5 LYS HB3 H 1 1.80 0.02 A 5 LYS HE2 H 1 3.03 0.02 A 5 LYS HE3 H 1 3.03 0.02 A 5 LYS HG2 H 1 1.50 0.02 A 5 LYS HG3 H 1 1.50 0.02 A 5 LYS C C 13 176.21 0.3 A 5 LYS CA C 13 56.42 0.3 A 5 LYS CB C 13 33.15 0.3 A 5 LYS CD C 13 29.39 0.3 A 5 LYS CE C 13 42.27 0.3 A 5 LYS CG C 13 25.14 0.3 A 5 LYS N N 15 124.13 0.3 A 6 LYS H H 1 8.24 0.02 A 6 LYS HA H 1 4.41 0.02 A 6 LYS HBy H 1 1.89 0.02 A 6 LYS HBx H 1 1.75 0.02 A 6 LYS HE2 H 1 3.10 0.02 A 6 LYS HE3 H 1 3.10 0.02 A 6 LYS HG2 H 1 1.48 0.02 A 6 LYS HG3 H 1 1.48 0.02 A 6 LYS C C 13 176.52 0.3 A 6 LYS CA C 13 55.95 0.3 A 6 LYS CB C 13 33.87 0.3 A 6 LYS CD C 13 28.99 0.3 A 6 LYS CE C 13 42.10 0.3 A 6 LYS CG C 13 24.58 0.3 A 6 LYS N N 15 122.43 0.3 A 7 LEU H H 1 8.41 0.02 A 7 LEU HA H 1 4.54 0.02 A 7 LEU HBx H 1 1.73 0.02 A 7 LEU HBy H 1 1.77 0.02 A 7 LEU HD1% H 1 0.96 0.02 A 7 LEU HD2% H 1 0.96 0.02 A 7 LEU HG H 1 1.82 0.02 A 7 LEU C C 13 176.83 0.3 A 7 LEU CA C 13 54.88 0.3 A 7 LEU CB C 13 41.46 0.3 A 7 LEU CDx C 13 21.68 0.3 A 7 LEU CDy C 13 24.93 0.3 A 7 LEU CG C 13 27.71 0.3 A 7 LEU N N 15 122.21 0.3 A 8 HIS H H 1 8.91 0.02 A 8 HIS HA H 1 5.04 0.02 A 8 HIS HBy H 1 3.32 0.02 A 8 HIS HBx H 1 3.28 0.02 A 8 HIS HD2 H 1 6.85 0.02 A 8 HIS HE1 H 1 8.51 0.02 A 8 HIS C C 13 173.28 0.3 A 8 HIS CA C 13 54.76 0.3 A 8 HIS CB C 13 30.98 0.3 A 8 HIS N N 15 117.74 0.3 A 9 LYS H H 1 8.63 0.02 A 9 LYS HA H 1 4.76 0.02 A 9 LYS HBx H 1 1.41 0.02 A 9 LYS HBy H 1 1.52 0.02 A 9 LYS HDy H 1 0.99 0.02 A 9 LYS HDx H 1 0.95 0.02 A 9 LYS HE2 H 1 1.79 0.02 A 9 LYS HE3 H 1 1.79 0.02 A 9 LYS HGx H 1 0.73 0.02 A 9 LYS HGy H 1 1.34 0.02 A 9 LYS C C 13 176.45 0.3 A 9 LYS CA C 13 56.19 0.3 A 9 LYS CB C 13 34.58 0.3 A 9 LYS CD C 13 29.12 0.3 A 9 LYS CE C 13 40.55 0.3 A 9 LYS CG C 13 25.67 0.3 A 9 LYS N N 15 124.28 0.3 A 10 GLU H H 1 9.43 0.02 A 10 GLU HA H 1 5.06 0.02 A 10 GLU HBx H 1 2.14 0.02 A 10 GLU HBy H 1 2.49 0.02 A 10 GLU HG2 H 1 2.44 0.02 A 10 GLU HG3 H 1 2.44 0.02 A 10 GLU C C 13 173.30 0.3 A 10 GLU CA C 13 53.36 0.3 A 10 GLU CB C 13 33.23 0.3 A 10 GLU CG C 13 37.23 0.3 A 10 GLU N N 15 123.25 0.3 A 11 PRO HA H 1 4.89 0.02 A 11 PRO HBx H 1 2.10 0.02 A 11 PRO HBy H 1 2.43 0.02 A 11 PRO HD2 H 1 3.86 0.02 A 11 PRO HD3 H 1 3.86 0.02 A 11 PRO HG2 H 1 1.32 0.02 A 11 PRO HG3 H 1 1.32 0.02 A 11 PRO C C 13 174.89 0.3 A 11 PRO CA C 13 63.28 0.3 A 11 PRO CB C 13 32.75 0.3 A 11 PRO CD C 13 50.90 0.3 A 11 PRO CG C 13 27.85 0.3 A 12 ALA H H 1 8.07 0.02 A 12 ALA HA H 1 5.01 0.02 A 12 ALA HB% H 1 1.34 0.02 A 12 ALA C C 13 175.55 0.3 A 12 ALA CA C 13 51.57 0.3 A 12 ALA CB C 13 24.74 0.3 A 12 ALA N N 15 119.86 0.3 A 13 THR H H 1 8.10 0.02 A 13 THR HA H 1 4.70 0.02 A 13 THR HB H 1 4.11 0.02 A 13 THR HG2% H 1 1.28 0.02 A 13 THR C C 13 174.11 0.3 A 13 THR CA C 13 60.61 0.3 A 13 THR CB C 13 71.50 0.3 A 13 THR CG2 C 13 22.23 0.3 A 13 THR N N 15 109.00 0.3 A 14 LEU H H 1 9.20 0.02 A 14 LEU HA H 1 4.13 0.02 A 14 LEU HBx H 1 1.14 0.02 A 14 LEU HBy H 1 1.93 0.02 A 14 LEU HDx% H 1 0.72 0.02 A 14 LEU HDy% H 1 0.89 0.02 A 14 LEU HG H 1 1.23 0.02 A 14 LEU C C 13 176.79 0.3 A 14 LEU CA C 13 56.90 0.3 A 14 LEU CB C 13 43.01 0.3 A 14 LEU CD1 C 13 23.41 0.3 A 14 LEU CD2 C 13 23.41 0.3 A 14 LEU CG C 13 27.13 0.3 A 14 LEU N N 15 125.22 0.3 A 15 ILE H H 1 8.49 0.02 A 15 ILE HA H 1 4.25 0.02 A 15 ILE HB H 1 1.32 0.02 A 15 ILE HD1% H 1 0.72 0.02 A 15 ILE HG12 H 1 1.31 0.02 A 15 ILE HG13 H 1 1.31 0.02 A 15 ILE HG2% H 1 0.91 0.02 A 15 ILE C C 13 175.93 0.3 A 15 ILE CA C 13 64.14 0.3 A 15 ILE CB C 13 39.09 0.3 A 15 ILE CD1 C 13 14.24 0.3 A 15 ILE CG1 C 13 27.25 0.3 A 15 ILE CG2 C 13 16.63 0.3 A 15 ILE N N 15 125.39 0.3 A 16 LYS H H 1 8.10 0.02 A 16 LYS HA H 1 4.45 0.02 A 16 LYS HBx H 1 1.82 0.02 A 16 LYS HBy H 1 1.85 0.02 A 16 LYS HD2 H 1 1.65 0.02 A 16 LYS HD3 H 1 1.65 0.02 A 16 LYS HE2 H 1 2.96 0.02 A 16 LYS HE3 H 1 2.96 0.02 A 16 LYS HG2 H 1 1.31 0.02 A 16 LYS HG3 H 1 1.31 0.02 A 16 LYS C C 13 174.04 0.3 A 16 LYS CA C 13 56.49 0.3 A 16 LYS CB C 13 35.63 0.3 A 16 LYS CD C 13 29.41 0.3 A 16 LYS CE C 13 42.18 0.3 A 16 LYS CG C 13 24.29 0.3 A 16 LYS N N 15 114.62 0.3 A 17 ALA H H 1 9.50 0.02 A 17 ALA HA H 1 4.45 0.02 A 17 ALA HB% H 1 1.42 0.02 A 17 ALA C C 13 175.73 0.3 A 17 ALA CA C 13 52.51 0.3 A 17 ALA CB C 13 18.43 0.3 A 17 ALA N N 15 129.63 0.3 A 18 ILE H H 1 8.07 0.02 A 18 ILE HA H 1 4.11 0.02 A 18 ILE HB H 1 1.62 0.02 A 18 ILE HD1% H 1 0.80 0.02 A 18 ILE HG1x H 1 1.05 0.02 A 18 ILE HG1y H 1 1.42 0.02 A 18 ILE HG2% H 1 0.81 0.02 A 18 ILE C C 13 175.28 0.3 A 18 ILE CA C 13 63.43 0.3 A 18 ILE CB C 13 38.50 0.3 A 18 ILE CD1 C 13 17.16 0.3 A 18 ILE CG1 C 13 28.86 0.3 A 18 ILE CG2 C 13 19.56 0.3 A 18 ILE N N 15 123.75 0.3 A 19 ASP H H 1 8.31 0.02 A 19 ASP HA H 1 4.66 0.02 A 19 ASP HBx H 1 2.92 0.02 A 19 ASP HBy H 1 3.04 0.02 A 19 ASP C C 13 177.03 0.3 A 19 ASP CA C 13 53.83 0.3 A 19 ASP CB C 13 39.75 0.3 A 19 ASP N N 15 119.45 0.3 A 20 GLY H H 1 8.63 0.02 A 20 GLY HAx H 1 3.57 0.02 A 20 GLY HAy H 1 3.81 0.02 A 20 GLY C C 13 173.31 0.3 A 20 GLY CA C 13 47.59 0.3 A 20 GLY N N 15 104.18 0.3 A 21 ASP H H 1 7.78 0.02 A 21 ASP HA H 1 4.92 0.02 A 21 ASP HBx H 1 2.48 0.02 A 21 ASP HBy H 1 3.24 0.02 A 21 ASP C C 13 174.73 0.3 A 21 ASP CA C 13 51.44 0.3 A 21 ASP CB C 13 39.22 0.3 A 21 ASP N N 15 110.80 0.3 A 22 THR H H 1 7.56 0.02 A 22 THR HA H 1 5.67 0.02 A 22 THR HB H 1 3.74 0.02 A 22 THR HG2% H 1 1.11 0.02 A 22 THR C C 13 174.14 0.3 A 22 THR CA C 13 61.67 0.3 A 22 THR CB C 13 70.31 0.3 A 22 THR CG2 C 13 22.53 0.3 A 22 THR N N 15 115.10 0.3 A 23 VAL H H 1 9.04 0.02 A 23 VAL HA H 1 4.62 0.02 A 23 VAL HB H 1 1.91 0.02 A 23 VAL HGx% H 1 0.81 0.02 A 23 VAL HGy% H 1 1.09 0.02 A 23 VAL C C 13 172.02 0.3 A 23 VAL CA C 13 60.08 0.3 A 23 VAL CB C 13 36.30 0.3 A 23 VAL CGx C 13 20.47 0.3 A 23 VAL CGy C 13 22.40 0.3 A 23 VAL N N 15 119.30 0.3 A 24 LYS H H 1 9.46 0.02 A 24 LYS HA H 1 5.42 0.02 A 24 LYS HBx H 1 1.69 0.02 A 24 LYS HBy H 1 2.02 0.02 A 24 LYS HDy H 1 1.39 0.02 A 24 LYS HDx H 1 1.36 0.02 A 24 LYS HE2 H 1 2.89 0.02 A 24 LYS HE3 H 1 2.89 0.02 A 24 LYS HGx H 1 0.78 0.02 A 24 LYS HGy H 1 1.05 0.02 A 24 LYS C C 13 175.24 0.3 A 24 LYS CA C 13 55.95 0.3 A 24 LYS CB C 13 34.58 0.3 A 24 LYS CD C 13 29.79 0.3 A 24 LYS CE C 13 41.74 0.3 A 24 LYS CG C 13 25.40 0.3 A 24 LYS N N 15 127.38 0.3 A 25 LEU H H 1 9.45 0.02 A 25 LEU HA H 1 5.22 0.02 A 25 LEU HBx H 1 1.43 0.02 A 25 LEU HBy H 1 1.79 0.02 A 25 LEU HDx% H 1 0.78 0.02 A 25 LEU HDy% H 1 0.00 0.02 A 25 LEU C C 13 174.45 0.3 A 25 LEU CA C 13 53.03 0.3 A 25 LEU CB C 13 45.73 0.3 A 25 LEU CDx C 13 25.02 0.3 A 25 LEU CDy C 13 25.15 0.3 A 25 LEU CG C 13 26.73 0.3 A 25 LEU N N 15 127.39 0.3 A 26 MET H H 1 9.57 0.02 A 26 MET HA H 1 4.86 0.02 A 26 MET HBx H 1 1.73 0.02 A 26 MET HBy H 1 2.30 0.02 A 26 MET HGx H 1 2.14 0.02 A 26 MET HGy H 1 2.49 0.02 A 26 MET C C 13 175.23 0.3 A 26 MET CA C 13 54.64 0.3 A 26 MET CB C 13 31.54 0.3 A 26 MET CG C 13 32.12 0.3 A 26 MET N N 15 122.25 0.3 A 27 TYR H H 1 9.08 0.02 A 27 TYR HA H 1 5.06 0.02 A 27 TYR HBx H 1 3.01 0.02 A 27 TYR HBy H 1 3.14 0.02 A 27 TYR HD1 H 1 7.35 0.02 A 27 TYR HD2 H 1 7.35 0.02 A 27 TYR HE1 H 1 6.93 0.02 A 27 TYR HE2 H 1 6.93 0.02 A 27 TYR C C 13 174.00 0.3 A 27 TYR CA C 13 56.90 0.3 A 27 TYR CB C 13 41.83 0.3 A 27 TYR N N 15 129.82 0.3 A 28 LYS H H 1 9.34 0.02 A 28 LYS HA H 1 3.60 0.02 A 28 LYS HBy H 1 1.74 0.02 A 28 LYS HBx H 1 1.40 0.02 A 28 LYS HD2 H 1 1.52 0.02 A 28 LYS HD3 H 1 1.52 0.02 A 28 LYS HE2 H 1 3.01 0.02 A 28 LYS HE3 H 1 3.01 0.02 A 28 LYS HGx H 1 0.45 0.02 A 28 LYS HGy H 1 0.81 0.02 A 28 LYS C C 13 177.03 0.3 A 28 LYS CA C 13 57.37 0.3 A 28 LYS CB C 13 29.95 0.3 A 28 LYS CD C 13 29.39 0.3 A 28 LYS CE C 13 42.14 0.3 A 28 LYS CG C 13 24.87 0.3 A 28 LYS N N 15 127.70 0.3 A 29 GLY H H 1 8.48 0.02 A 29 GLY HAx H 1 3.55 0.02 A 29 GLY HAy H 1 4.11 0.02 A 29 GLY C C 13 173.73 0.3 A 29 GLY CA C 13 45.59 0.3 A 29 GLY N N 15 102.55 0.3 A 30 GLN H H 1 7.81 0.02 A 30 GLN HA H 1 5.03 0.02 A 30 GLN HBx H 1 2.04 0.02 A 30 GLN HBy H 1 2.16 0.02 A 30 GLN HGx H 1 2.38 0.02 A 30 GLN HGy H 1 2.40 0.02 A 30 GLN C C 13 173.26 0.3 A 30 GLN CA C 13 52.41 0.3 A 30 GLN CB C 13 31.47 0.3 A 30 GLN N N 15 119.29 0.3 A 31 PRO HA H 1 4.88 0.02 A 31 PRO HBx H 1 1.91 0.02 A 31 PRO HBy H 1 2.05 0.02 A 31 PRO C C 13 174.41 0.3 A 31 PRO CA C 13 62.67 0.3 A 31 PRO CB C 13 32.14 0.3 A 31 PRO CD C 13 50.41 0.3 A 31 PRO CG C 13 27.48 0.3 A 32 MET H H 1 9.64 0.02 A 32 MET HA H 1 4.64 0.02 A 32 MET HBx H 1 2.01 0.02 A 32 MET HBy H 1 2.15 0.02 A 32 MET HE% H 1 1.65 0.02 A 32 MET HGx H 1 2.41 0.02 A 32 MET HGy H 1 2.85 0.02 A 32 MET C C 13 174.38 0.3 A 32 MET CA C 13 56.07 0.3 A 32 MET CB C 13 37.07 0.3 A 32 MET CG C 13 31.91 0.3 A 32 MET N N 15 126.13 0.3 A 33 THR H H 1 9.03 0.02 A 33 THR HA H 1 4.56 0.02 A 33 THR HB H 1 3.97 0.02 A 33 THR HG2% H 1 1.01 0.02 A 33 THR C C 13 173.01 0.3 A 33 THR CA C 13 63.90 0.3 A 33 THR CB C 13 68.53 0.3 A 33 THR CG2 C 13 22.48 0.3 A 33 THR N N 15 124.21 0.3 A 34 PHE H H 1 9.61 0.02 A 34 PHE HA H 1 4.96 0.02 A 34 PHE HBx H 1 2.41 0.02 A 34 PHE HBy H 1 2.84 0.02 A 34 PHE HD1 H 1 6.89 0.02 A 34 PHE HD2 H 1 6.89 0.02 A 34 PHE HE1 H 1 6.05 0.02 A 34 PHE HE2 H 1 6.05 0.02 A 34 PHE HZ H 1 6.09 0.02 A 34 PHE C C 13 173.80 0.3 A 34 PHE CA C 13 57.49 0.3 A 34 PHE CB C 13 42.41 0.3 A 34 PHE N N 15 125.75 0.3 A 35 ARG H H 1 9.62 0.02 A 35 ARG HA H 1 5.21 0.02 A 35 ARG HBx H 1 1.87 0.02 A 35 ARG HBy H 1 1.88 0.02 A 35 ARG HD2 H 1 3.34 0.02 A 35 ARG HD3 H 1 3.34 0.02 A 35 ARG HE H 1 7.11 0.02 A 35 ARG HGx H 1 1.41 0.02 A 35 ARG HGy H 1 1.43 0.02 A 35 ARG C C 13 176.35 0.3 A 35 ARG CA C 13 52.39 0.3 A 35 ARG CB C 13 32.92 0.3 A 35 ARG CD C 13 42.14 0.3 A 35 ARG CG C 13 25.04 0.3 A 35 ARG N N 15 123.33 0.3 A 36 LEU H H 1 8.32 0.02 A 36 LEU HA H 1 4.39 0.02 A 36 LEU HBx H 1 1.50 0.02 A 36 LEU HBy H 1 1.63 0.02 A 36 LEU HDx% H 1 0.75 0.02 A 36 LEU HDy% H 1 0.73 0.02 A 36 LEU C C 13 177.17 0.3 A 36 LEU CA C 13 55.47 0.3 A 36 LEU CB C 13 41.82 0.3 A 36 LEU CDx C 13 24.35 0.3 A 36 LEU CDy C 13 26.55 0.3 A 36 LEU CG C 13 28.18 0.3 A 36 LEU N N 15 123.00 0.3 A 37 LEU H H 1 7.74 0.02 A 37 LEU HA H 1 3.97 0.02 A 37 LEU HBx H 1 0.67 0.02 A 37 LEU HBy H 1 0.89 0.02 A 37 LEU HDx% H 1 0.53 0.02 A 37 LEU HDy% H 1 0.87 0.02 A 37 LEU HG H 1 1.54 0.02 A 37 LEU C C 13 177.38 0.3 A 37 LEU CA C 13 55.96 0.3 A 37 LEU CB C 13 44.27 0.3 A 37 LEU CD1 C 13 25.15 0.3 A 37 LEU CD2 C 13 25.15 0.3 A 37 LEU CG C 13 27.58 0.3 A 37 LEU N N 15 126.20 0.3 A 38 LEU H H 1 8.70 0.02 A 38 LEU HA H 1 4.10 0.02 A 38 LEU HBx H 1 1.88 0.02 A 38 LEU HBy H 1 2.25 0.02 A 38 LEU HD1% H 1 1.04 0.02 A 38 LEU HD2% H 1 1.04 0.02 A 38 LEU HG H 1 1.84 0.02 A 38 LEU C C 13 175.28 0.3 A 38 LEU CA C 13 57.29 0.3 A 38 LEU CB C 13 40.15 0.3 A 38 LEU CDx C 13 24.78 0.3 A 38 LEU CDy C 13 27.09 0.3 A 38 LEU CG C 13 28.31 0.3 A 38 LEU N N 15 113.42 0.3 A 39 VAL H H 1 6.97 0.02 A 39 VAL HA H 1 5.26 0.02 A 39 VAL HB H 1 1.86 0.02 A 39 VAL HGx% H 1 0.81 0.02 A 39 VAL HGy% H 1 0.99 0.02 A 39 VAL C C 13 174.49 0.3 A 39 VAL CA C 13 59.01 0.3 A 39 VAL CB C 13 35.50 0.3 A 39 VAL CGx C 13 20.03 0.3 A 39 VAL N N 15 108.29 0.3 A 40 ASP H H 1 8.83 0.02 A 40 ASP HA H 1 5.13 0.02 A 40 ASP HBx H 1 2.40 0.02 A 40 ASP HBy H 1 2.48 0.02 A 40 ASP C C 13 176.26 0.3 A 40 ASP CA C 13 53.46 0.3 A 40 ASP CB C 13 43.84 0.3 A 40 ASP N N 15 121.91 0.3 A 41 THR H H 1 8.06 0.02 A 41 THR HA H 1 4.81 0.02 A 41 THR HB H 1 4.17 0.02 A 41 THR HG2% H 1 1.10 0.02 A 41 THR C C 13 175.48 0.3 A 41 THR CA C 13 58.77 0.3 A 41 THR CB C 13 67.93 0.3 A 41 THR N N 15 116.88 0.3 A 42 PRO HA H 1 4.43 0.02 A 42 PRO HBy H 1 1.89 0.02 A 42 PRO HBx H 1 1.75 0.02 A 42 PRO HD2 H 1 3.86 0.02 A 42 PRO HD3 H 1 3.86 0.02 A 42 PRO HG2 H 1 2.30 0.02 A 42 PRO HG3 H 1 2.30 0.02 A 42 PRO C C 13 176.60 0.3 A 42 PRO CA C 13 63.31 0.3 A 42 PRO CB C 13 32.54 0.3 A 42 PRO CD C 13 50.84 0.3 A 42 PRO CG C 13 27.81 0.3 A 43 GLU HA H 1 4.40 0.02 A 43 GLU HBx H 1 1.99 0.02 A 43 GLU HBy H 1 2.08 0.02 A 43 GLU HG2 H 1 2.35 0.02 A 43 GLU HG3 H 1 2.35 0.02 A 43 GLU C C 13 176.24 0.3 A 43 GLU CA C 13 56.36 0.3 A 43 GLU CB C 13 31.11 0.3 A 43 GLU CG C 13 35.98 0.3 A 44 THR H H 1 8.48 0.02 A 44 THR HA H 1 4.35 0.02 A 44 THR HB H 1 4.33 0.02 A 44 THR HG2% H 1 1.15 0.02 A 44 THR C C 13 174.63 0.3 A 44 THR CA C 13 62.07 0.3 A 44 THR CB C 13 69.64 0.3 A 44 THR CG2 C 13 21.98 0.3 A 44 THR N N 15 114.12 0.3 A 45 LYS H H 1 8.29 0.02 A 45 LYS HA H 1 4.34 0.02 A 45 LYS HBx H 1 1.82 0.02 A 45 LYS HBy H 1 1.87 0.02 A 45 LYS HG2 H 1 1.37 0.02 A 45 LYS HG3 H 1 1.37 0.02 A 45 LYS C C 13 174.59 0.3 A 45 LYS CA C 13 56.99 0.3 A 45 LYS CB C 13 33.35 0.3 A 45 LYS CD C 13 29.29 0.3 A 45 LYS CE C 13 42.28 0.3 A 45 LYS CG C 13 25.40 0.3 A 45 LYS N N 15 124.08 0.3 A 46 HIS H H 1 8.52 0.02 A 46 HIS HA H 1 4.91 0.02 A 46 HIS HB2 H 1 3.14 0.02 A 46 HIS HB3 H 1 3.14 0.02 A 46 HIS C C 13 177.00 0.3 A 46 HIS CA C 13 56.89 0.3 A 46 HIS CB C 13 32.87 0.3 A 46 HIS N N 15 119.75 0.3 A 47 PRO HA H 1 4.44 0.02 A 47 PRO HBx H 1 1.90 0.02 A 47 PRO HBy H 1 2.29 0.02 A 47 PRO C C 13 176.48 0.3 A 47 PRO CA C 13 63.28 0.3 A 47 PRO CB C 13 32.26 0.3 A 47 PRO CD C 13 51.02 0.3 A 47 PRO CG C 13 27.85 0.3 A 48 LYS H H 1 8.59 0.02 A 48 LYS HA H 1 4.29 0.02 A 48 LYS HBx H 1 1.82 0.02 A 48 LYS HBy H 1 1.84 0.02 A 48 LYS HG2 H 1 1.46 0.02 A 48 LYS HG3 H 1 1.46 0.02 A 48 LYS C C 13 176.94 0.3 A 48 LYS CA C 13 56.89 0.3 A 48 LYS CB C 13 33.03 0.3 A 48 LYS CD C 13 29.20 0.3 A 48 LYS CE C 13 42.28 0.3 A 48 LYS CG C 13 25.40 0.3 A 48 LYS N N 15 120.72 0.3 A 49 LYS H H 1 8.37 0.02 A 49 LYS HA H 1 4.31 0.02 A 49 LYS HB2 H 1 1.82 0.02 A 49 LYS HB3 H 1 1.82 0.02 A 49 LYS HG2 H 1 1.43 0.02 A 49 LYS HG3 H 1 1.43 0.02 A 49 LYS C C 13 178.38 0.3 A 49 LYS CA C 13 56.24 0.3 A 49 LYS CB C 13 33.35 0.3 A 49 LYS CD C 13 24.59 0.3 A 49 LYS CE C 13 41.96 0.3 A 49 LYS CG C 13 29.13 0.3 A 49 LYS N N 15 120.99 0.3 A 50 GLY H H 1 8.41 0.02 A 50 GLY HAx H 1 3.96 0.02 A 50 GLY HAy H 1 4.02 0.02 A 50 GLY C C 13 174.00 0.3 A 50 GLY CA C 13 45.36 0.3 A 50 GLY N N 15 110.69 0.3 A 51 VAL H H 1 7.96 0.02 A 51 VAL HA H 1 4.18 0.02 A 51 VAL HB H 1 2.13 0.02 A 51 VAL HGx% H 1 0.94 0.02 A 51 VAL HGy% H 1 0.95 0.02 A 51 VAL C C 13 176.30 0.3 A 51 VAL CA C 13 62.04 0.3 A 51 VAL CB C 13 32.57 0.3 A 51 VAL CGx C 13 20.82 0.3 A 51 VAL N N 15 119.37 0.3 A 52 GLU H H 1 8.64 0.02 A 52 GLU HA H 1 4.25 0.02 A 52 GLU HB2 H 1 2.04 0.02 A 52 GLU HB3 H 1 2.04 0.02 A 52 GLU HG2 H 1 2.28 0.02 A 52 GLU HG3 H 1 2.28 0.02 A 52 GLU C C 13 176.84 0.3 A 52 GLU CA C 13 57.08 0.3 A 52 GLU CB C 13 29.62 0.3 A 52 GLU N N 15 124.94 0.3 A 54 TYR HA H 1 4.443 .02 A 54 TYR C C 13 176.23 0.3 A 54 TYR CA C 13 60.82 0.3 A 54 TYR CB C 13 36.36 0.3 A 55 GLY H H 1 8.66 0.02 A 55 GLY HAx H 1 3.89 0.02 A 55 GLY HAy H 1 3.97 0.02 A 55 GLY C C 13 174.45 0.3 A 55 GLY CA C 13 48.13 0.3 A 55 GLY N N 15 109.30 0.3 A 57 GLU HA H 1 4.21 0.02 A 57 GLU HB2 H 1 2.07 0.02 A 57 GLU HB3 H 1 2.07 0.02 A 57 GLU HG2 H 1 2.40 0.02 A 57 GLU HG3 H 1 2.40 0.02 A 57 GLU C C 13 179.31 0.3 A 57 GLU CA C 13 60.08 0.3 A 57 GLU CB C 13 29.12 0.3 A 57 GLU CG C 13 36.71 0.3 A 58 ALA H H 1 8.90 0.02 A 58 ALA HA H 1 4.15 0.02 A 58 ALA HB% H 1 1.71 0.02 A 58 ALA C C 13 178.79 0.3 A 58 ALA CA C 13 55.83 0.3 A 58 ALA CB C 13 18.31 0.3 A 58 ALA N N 15 124.84 0.3 A 59 SER H H 1 8.25 0.02 A 59 SER HA H 1 3.96 0.02 A 59 SER HBx H 1 3.71 0.02 A 59 SER HBy H 1 3.73 0.02 A 59 SER C C 13 177.00 0.3 A 59 SER CA C 13 62.04 0.3 A 59 SER CB C 13 62.70 0.3 A 59 SER N N 15 112.00 0.3 A 60 ALA H H 1 8.23 0.02 A 60 ALA HA H 1 4.26 0.02 A 60 ALA HB% H 1 1.53 0.02 A 60 ALA C C 13 176.52 0.3 A 60 ALA CA C 13 55.12 0.3 A 60 ALA CB C 13 18.43 0.3 A 60 ALA N N 15 123.68 0.3 A 61 PHE H H 1 8.20 0.02 A 61 PHE HA H 1 4.06 0.02 A 61 PHE HBx H 1 3.13 0.02 A 61 PHE HBy H 1 3.33 0.02 A 61 PHE HD1 H 1 7.11 0.02 A 61 PHE HD2 H 1 7.11 0.02 A 61 PHE HE1 H 1 7.22 0.02 A 61 PHE HE2 H 1 7.22 0.02 A 61 PHE C C 13 178.14 0.3 A 61 PHE CA C 13 61.75 0.3 A 61 PHE CB C 13 40.00 0.3 A 61 PHE N N 15 121.84 0.3 A 62 THR H H 1 8.67 0.02 A 62 THR HA H 1 3.54 0.02 A 62 THR HB H 1 4.15 0.02 A 62 THR HG2% H 1 1.02 0.02 A 62 THR C C 13 175.38 0.3 A 62 THR CA C 13 67.72 0.3 A 62 THR CB C 13 68.38 0.3 A 62 THR CG2 C 13 22.60 0.3 A 62 THR N N 15 120.49 0.3 A 63 LYS H H 1 7.84 0.02 A 63 LYS HA H 1 3.55 0.02 A 63 LYS HBx H 1 1.75 0.02 A 63 LYS HBy H 1 1.80 0.02 A 63 LYS HDy H 1 1.52 0.02 A 63 LYS HDx H 1 1.17 0.02 A 63 LYS HE2 H 1 3.10 0.02 A 63 LYS HE3 H 1 3.10 0.02 A 63 LYS HGy H 1 1.03 0.02 A 63 LYS HGx H 1 0.82 0.02 A 63 LYS C C 13 176.90 0.3 A 63 LYS CA C 13 60.36 0.3 A 63 LYS CB C 13 33.31 0.3 A 63 LYS CD C 13 30.38 0.3 A 63 LYS CE C 13 42.22 0.3 A 63 LYS CG C 13 24.69 0.3 A 63 LYS N N 15 119.99 0.3 A 64 LYS H H 1 7.90 0.02 A 64 LYS HA H 1 3.94 0.02 A 64 LYS HBx H 1 1.73 0.02 A 64 LYS HBy H 1 1.75 0.02 A 64 LYS HD2 H 1 1.07 0.02 A 64 LYS HD3 H 1 1.07 0.02 A 64 LYS HE2 H 1 3.08 0.02 A 64 LYS HE3 H 1 3.08 0.02 A 64 LYS HGy H 1 0.76 0.02 A 64 LYS HGx H 1 0.45 0.02 A 64 LYS C C 13 178.76 0.3 A 64 LYS CA C 13 59.28 0.3 A 64 LYS CB C 13 32.04 0.3 A 64 LYS CD C 13 29.07 0.3 A 64 LYS CE C 13 41.79 0.3 A 64 LYS CG C 13 24.59 0.3 A 64 LYS N N 15 117.35 0.3 A 65 MET H H 1 7.69 0.02 A 65 MET HA H 1 3.89 0.02 A 65 MET HBy H 1 2.12 0.02 A 65 MET HBx H 1 1.80 0.02 A 65 MET HG2 H 1 2.45 0.02 A 65 MET HG3 H 1 2.45 0.02 A 65 MET C C 13 179.31 0.3 A 65 MET CA C 13 59.81 0.3 A 65 MET CB C 13 32.44 0.3 A 65 MET CG C 13 33.07 0.3 A 65 MET N N 15 116.23 0.3 A 66 VAL H H 1 8.22 0.02 A 66 VAL HA H 1 4.15 0.02 A 66 VAL HB H 1 2.17 0.02 A 66 VAL HGx% H 1 0.90 0.02 A 66 VAL HGy% H 1 1.13 0.02 A 66 VAL C C 13 177.62 0.3 A 66 VAL CA C 13 64.46 0.3 A 66 VAL CB C 13 31.38 0.3 A 66 VAL N N 15 107.83 0.3 A 67 GLU H H 1 8.72 0.02 A 67 GLU HA H 1 3.95 0.02 A 67 GLU HBy H 1 2.07 0.02 A 67 GLU HBx H 1 1.87 0.02 A 67 GLU HGy H 1 2.55 0.02 A 67 GLU HGx H 1 2.13 0.02 A 67 GLU C C 13 178.07 0.3 A 67 GLU CA C 13 59.21 0.3 A 67 GLU CB C 13 29.18 0.3 A 67 GLU CG C 13 37.69 0.3 A 67 GLU N N 15 121.21 0.3 A 68 ASN H H 1 7.42 0.02 A 68 ASN HA H 1 4.65 0.02 A 68 ASN HBx H 1 2.80 0.02 A 68 ASN HBy H 1 2.82 0.02 A 68 ASN HD2y H 1 7.84 0.02 A 68 ASN HD2x H 1 7.05 0.02 A 68 ASN C C 13 174.66 0.3 A 68 ASN CA C 13 53.43 0.3 A 68 ASN CB C 13 39.09 0.3 A 68 ASN N N 15 113.57 0.3 A 68 ASN ND2 N 15 113.81 0.3 A 69 ALA H H 1 6.68 0.02 A 69 ALA HA H 1 4.50 0.02 A 69 ALA HB% H 1 1.32 0.02 A 69 ALA C C 13 177.92 0.3 A 69 ALA CA C 13 51.53 0.3 A 69 ALA CB C 13 19.33 0.3 A 69 ALA N N 15 121.21 0.3 A 70 LYS H H 1 10.13 0.02 A 70 LYS HA H 1 4.35 0.02 A 70 LYS HBx H 1 1.93 0.02 A 70 LYS HBy H 1 2.03 0.02 A 70 LYS HD2 H 1 1.69 0.02 A 70 LYS HD3 H 1 1.69 0.02 A 70 LYS HE2 H 1 3.04 0.02 A 70 LYS HE3 H 1 3.04 0.02 A 70 LYS HG2 H 1 1.58 0.02 A 70 LYS HG3 H 1 1.58 0.02 A 70 LYS C C 13 177.86 0.3 A 70 LYS CA C 13 57.97 0.3 A 70 LYS CB C 13 32.32 0.3 A 70 LYS CD C 13 28.59 0.3 A 70 LYS CE C 13 42.14 0.3 A 70 LYS CG C 13 25.14 0.3 A 70 LYS N N 15 125.91 0.3 A 71 LYS H H 1 8.94 0.02 A 71 LYS HA H 1 4.66 0.02 A 71 LYS HBx H 1 1.68 0.02 A 71 LYS HBy H 1 1.86 0.02 A 71 LYS HD2 H 1 1.22 0.02 A 71 LYS HD3 H 1 1.22 0.02 A 71 LYS HE2 H 1 2.95 0.02 A 71 LYS HE3 H 1 2.95 0.02 A 71 LYS HG2 H 1 1.47 0.02 A 71 LYS HG3 H 1 1.47 0.02 A 71 LYS C C 13 174.75 0.3 A 71 LYS CA C 13 55.47 0.3 A 71 LYS CB C 13 35.53 0.3 A 71 LYS CD C 13 29.45 0.3 A 71 LYS CE C 13 41.99 0.3 A 71 LYS CG C 13 25.16 0.3 A 71 LYS N N 15 121.52 0.3 A 72 ILE H H 1 8.99 0.02 A 72 ILE HA H 1 5.26 0.02 A 72 ILE HB H 1 1.86 0.02 A 72 ILE HD1% H 1 0.66 0.02 A 72 ILE HG12 H 1 1.20 0.02 A 72 ILE HG13 H 1 1.20 0.02 A 72 ILE HG2% H 1 0.87 0.02 A 72 ILE C C 13 175.38 0.3 A 72 ILE CA C 13 58.56 0.3 A 72 ILE CB C 13 38.26 0.3 A 72 ILE CD1 C 13 12.95 0.3 A 72 ILE CG1 C 13 28.07 0.3 A 72 ILE CG2 C 13 17.90 0.3 A 72 ILE N N 15 129.03 0.3 A 73 GLU H H 1 8.79 0.02 A 73 GLU HA H 1 5.26 0.02 A 73 GLU HBy H 1 1.93 0.02 A 73 GLU HBx H 1 1.73 0.02 A 73 GLU HG2 H 1 2.79 0.02 A 73 GLU HG3 H 1 2.79 0.02 A 73 GLU C C 13 175.04 0.3 A 73 GLU CA C 13 53.81 0.3 A 73 GLU CB C 13 36.48 0.3 A 73 GLU CG C 13 37.58 0.3 A 73 GLU N N 15 123.20 0.3 A 74 VAL H H 1 9.56 0.02 A 74 VAL HA H 1 4.57 0.02 A 74 VAL HB H 1 1.27 0.02 A 74 VAL HGx% H 1 -0.14 0.02 A 74 VAL HGy% H 1 0.25 0.02 A 74 VAL C C 13 174.28 0.3 A 74 VAL CA C 13 59.68 0.3 A 74 VAL CB C 13 34.57 0.3 A 74 VAL CGx C 13 20.10 0.3 A 74 VAL CGy C 13 21.31 0.3 A 74 VAL N N 15 117.43 0.3 A 75 GLU H H 1 8.87 0.02 A 75 GLU HA H 1 5.13 0.02 A 75 GLU HBx H 1 1.83 0.02 A 75 GLU HBy H 1 2.93 0.02 A 75 GLU HG2 H 1 2.21 0.02 A 75 GLU HG3 H 1 2.21 0.02 A 75 GLU C C 13 175.58 0.3 A 75 GLU CA C 13 54.52 0.3 A 75 GLU CB C 13 35.88 0.3 A 75 GLU CG C 13 37.02 0.3 A 75 GLU N N 15 126.92 0.3 A 76 PHE H H 1 8.83 0.02 A 76 PHE HA H 1 4.75 0.02 A 76 PHE HBx H 1 2.88 0.02 A 76 PHE HBy H 1 3.59 0.02 A 76 PHE HD1 H 1 7.69 0.02 A 76 PHE HD2 H 1 7.69 0.02 A 76 PHE HE1 H 1 7.31 0.02 A 76 PHE HE2 H 1 7.31 0.02 A 76 PHE HZ H 1 6.72 0.02 A 76 PHE C C 13 176.48 0.3 A 76 PHE CA C 13 59.75 0.3 A 76 PHE CB C 13 39.80 0.3 A 76 PHE N N 15 126.76 0.3 A 77 ASP H H 1 9.44 0.02 A 77 ASP HA H 1 5.31 0.02 A 77 ASP HBx H 1 2.46 0.02 A 77 ASP HBy H 1 3.81 0.02 A 77 ASP C C 13 177.65 0.3 A 77 ASP CA C 13 51.84 0.3 A 77 ASP CB C 13 43.20 0.3 A 77 ASP N N 15 123.30 0.3 A 78 LYS H H 1 10.43 0.02 A 78 LYS HA H 1 4.24 0.02 A 78 LYS HBx H 1 1.89 0.02 A 78 LYS HBy H 1 1.92 0.02 A 78 LYS HD2 H 1 1.59 0.02 A 78 LYS HD3 H 1 1.59 0.02 A 78 LYS HE2 H 1 3.13 0.02 A 78 LYS HE3 H 1 3.13 0.02 A 78 LYS HGx H 1 0.75 0.02 A 78 LYS HGy H 1 0.97 0.02 A 78 LYS C C 13 177.14 0.3 A 78 LYS CA C 13 57.68 0.3 A 78 LYS CB C 13 33.77 0.3 A 78 LYS CD C 13 29.31 0.3 A 78 LYS CE C 13 42.40 0.3 A 78 LYS CG C 13 24.95 0.3 A 78 LYS N N 15 119.41 0.3 A 79 GLY H H 1 8.59 0.02 A 79 GLY HAx H 1 3.30 0.02 A 79 GLY HAy H 1 4.36 0.02 A 79 GLY C C 13 173.61 0.3 A 79 GLY CA C 13 44.66 0.3 A 79 GLY N N 15 111.23 0.3 A 80 GLN H H 1 8.65 0.02 A 80 GLN HA H 1 4.11 0.02 A 80 GLN HBy H 1 2.05 0.02 A 80 GLN HBx H 1 2.03 0.02 A 80 GLN HG2 H 1 2.42 0.02 A 80 GLN HG3 H 1 2.42 0.02 A 80 GLN C C 13 176.90 0.3 A 80 GLN CA C 13 57.14 0.3 A 80 GLN CB C 13 29.24 0.3 A 80 GLN CG C 13 33.90 0.3 A 80 GLN N N 15 125.55 0.3 A 81 ARG H H 1 8.67 0.02 A 81 ARG HA H 1 4.65 0.02 A 81 ARG HBy H 1 1.70 0.02 A 81 ARG HBx H 1 1.63 0.02 A 81 ARG HD2 H 1 2.89 0.02 A 81 ARG HD3 H 1 2.89 0.02 A 81 ARG HE H 1 7.10 0.02 A 81 ARG HG2 H 1 1.37 0.02 A 81 ARG HG3 H 1 1.37 0.02 A 81 ARG C C 13 176.24 0.3 A 81 ARG CA C 13 57.85 0.3 A 81 ARG CB C 13 32.44 0.3 A 81 ARG CD C 13 43.50 0.3 A 81 ARG CG C 13 28.06 0.3 A 81 ARG N N 15 122.01 0.3 A 82 THR H H 1 7.34 0.02 A 82 THR HA H 1 5.58 0.02 A 82 THR HB H 1 3.88 0.02 A 82 THR HG2% H 1 0.94 0.02 A 82 THR C C 13 174.76 0.3 A 82 THR CA C 13 58.22 0.3 A 82 THR CB C 13 72.70 0.3 A 82 THR CG2 C 13 21.50 0.3 A 82 THR N N 15 106.88 0.3 A 83 ASP H H 1 8.71 0.02 A 83 ASP HA H 1 4.70 0.02 A 83 ASP HBx H 1 2.66 0.02 A 83 ASP HBy H 1 3.48 0.02 A 83 ASP C C 13 178.93 0.3 A 83 ASP CA C 13 52.10 0.3 A 83 ASP CB C 13 42.14 0.3 A 83 ASP N N 15 121.07 0.3 A 84 LYS H H 1 8.30 0.02 A 84 LYS HA H 1 4.04 0.02 A 84 LYS HBx H 1 1.51 0.02 A 84 LYS HBy H 1 1.65 0.02 A 84 LYS HD2 H 1 1.45 0.02 A 84 LYS HD3 H 1 1.45 0.02 A 84 LYS HE2 H 1 2.65 0.02 A 84 LYS HE3 H 1 2.65 0.02 A 84 LYS HGx H 1 0.44 0.02 A 84 LYS HGy H 1 1.00 0.02 A 84 LYS C C 13 176.52 0.3 A 84 LYS CA C 13 58.08 0.3 A 84 LYS CB C 13 31.38 0.3 A 84 LYS CD C 13 29.41 0.3 A 84 LYS CE C 13 41.94 0.3 A 84 LYS CG C 13 23.32 0.3 A 84 LYS N N 15 116.86 0.3 A 85 TYR H H 1 7.98 0.02 A 85 TYR HA H 1 4.61 0.02 A 85 TYR HBx H 1 2.79 0.02 A 85 TYR HBy H 1 3.38 0.02 A 85 TYR HD1 H 1 7.06 0.02 A 85 TYR HD2 H 1 7.06 0.02 A 85 TYR HE1 H 1 6.83 0.02 A 85 TYR HE2 H 1 6.83 0.02 A 85 TYR C C 13 176.21 0.3 A 85 TYR CA C 13 57.15 0.3 A 85 TYR CB C 13 38.16 0.3 A 85 TYR N N 15 119.24 0.3 A 86 GLY H H 1 8.15 0.02 A 86 GLY HAx H 1 3.62 0.02 A 86 GLY HAy H 1 4.22 0.02 A 86 GLY C C 13 176.35 0.3 A 86 GLY CA C 13 45.60 0.3 A 86 GLY N N 15 108.56 0.3 A 87 ARG H H 1 8.52 0.02 A 87 ARG HA H 1 4.45 0.02 A 87 ARG HBx H 1 1.68 0.02 A 87 ARG HBy H 1 2.04 0.02 A 87 ARG HE H 1 7.25 0.02 A 87 ARG HG2 H 1 1.36 0.02 A 87 ARG HG3 H 1 1.36 0.02 A 87 ARG C C 13 177.07 0.3 A 87 ARG CA C 13 55.71 0.3 A 87 ARG CB C 13 30.07 0.3 A 87 ARG CD C 13 43.50 0.3 A 87 ARG CG C 13 27.48 0.3 A 87 ARG N N 15 121.61 0.3 A 88 GLY H H 1 8.81 0.02 A 88 GLY HAx H 1 2.73 0.02 A 88 GLY HAy H 1 4.46 0.02 A 88 GLY C C 13 171.91 0.3 A 88 GLY CA C 13 45.06 0.3 A 88 GLY N N 15 108.54 0.3 A 89 LEU H H 1 8.34 0.02 A 89 LEU HA H 1 5.12 0.02 A 89 LEU HBx H 1 1.17 0.02 A 89 LEU HBy H 1 1.78 0.02 A 89 LEU HD1% H 1 0.69 0.02 A 89 LEU HD2% H 1 0.69 0.02 A 89 LEU HG H 1 1.50 0.02 A 89 LEU C C 13 174.90 0.3 A 89 LEU CA C 13 53.10 0.3 A 89 LEU CB C 13 42.53 0.3 A 89 LEU CDy C 13 23.01 0.3 A 89 LEU CDx C 13 22.89 0.3 A 89 LEU CG C 13 25.80 0.3 A 89 LEU N N 15 125.84 0.3 A 90 ALA H H 1 7.57 0.02 A 90 ALA HA H 1 4.81 0.02 A 90 ALA HB% H 1 0.76 0.02 A 90 ALA C C 13 177.07 0.3 A 90 ALA CA C 13 50.73 0.3 A 90 ALA CB C 13 24.02 0.3 A 90 ALA N N 15 120.22 0.3 A 91 TYR H H 1 9.00 0.02 A 91 TYR HA H 1 4.61 0.02 A 91 TYR HBx H 1 2.80 0.02 A 91 TYR HBy H 1 3.45 0.02 A 91 TYR HD1 H 1 7.49 0.02 A 91 TYR HD2 H 1 7.14 0.02 A 91 TYR HE1 H 1 6.72 0.02 A 91 TYR HE2 H 1 6.52 0.02 A 91 TYR C C 13 174.45 0.3 A 91 TYR CA C 13 57.14 0.3 A 91 TYR CB C 13 37.67 0.3 A 91 TYR N N 15 122.73 0.3 A 92 ILE H H 1 7.93 0.02 A 92 ILE HA H 1 4.92 0.02 A 92 ILE HB H 1 1.47 0.02 A 92 ILE HD1% H 1 0.30 0.02 A 92 ILE HG12 H 1 1.02 0.02 A 92 ILE HG13 H 1 1.02 0.02 A 92 ILE HG2% H 1 0.70 0.02 A 92 ILE C C 13 173.76 0.3 A 92 ILE CA C 13 58.68 0.3 A 92 ILE CB C 13 38.97 0.3 A 92 ILE CD1 C 13 12.39 0.3 A 92 ILE CG1 C 13 27.94 0.3 A 92 ILE CG2 C 13 16.92 0.3 A 92 ILE N N 15 122.65 0.3 A 93 TYR H H 1 9.55 0.02 A 93 TYR HA H 1 5.06 0.02 A 93 TYR HBx H 1 2.35 0.02 A 93 TYR HBy H 1 2.82 0.02 A 93 TYR HD1 H 1 6.70 0.02 A 93 TYR HD2 H 1 6.70 0.02 A 93 TYR HE1 H 1 6.60 0.02 A 93 TYR HE2 H 1 6.60 0.02 A 93 TYR C C 13 173.92 0.3 A 93 TYR CA C 13 56.42 0.3 A 93 TYR CB C 13 41.58 0.3 A 93 TYR N N 15 126.27 0.3 A 94 ALA H H 1 9.28 0.02 A 94 ALA HA H 1 4.96 0.02 A 94 ALA HB% H 1 1.14 0.02 A 94 ALA C C 13 175.74 0.3 A 94 ALA CA C 13 49.89 0.3 A 94 ALA CB C 13 21.04 0.3 A 94 ALA N N 15 125.81 0.3 A 95 ASP H H 1 9.75 0.02 A 95 ASP HA H 1 4.43 0.02 A 95 ASP HBx H 1 2.73 0.02 A 95 ASP HBy H 1 2.95 0.02 A 95 ASP C C 13 176.14 0.3 A 95 ASP CA C 13 56.54 0.3 A 95 ASP CB C 13 39.56 0.3 A 95 ASP N N 15 127.77 0.3 A 96 GLY H H 1 9.41 0.02 A 96 GLY HAx H 1 3.70 0.02 A 96 GLY HAy H 1 4.22 0.02 A 96 GLY C C 13 173.90 0.3 A 96 GLY CA C 13 45.06 0.3 A 96 GLY N N 15 103.20 0.3 A 97 LYS H H 1 7.87 0.02 A 97 LYS HA H 1 4.66 0.02 A 97 LYS HBx H 1 1.73 0.02 A 97 LYS HBy H 1 1.86 0.02 A 97 LYS HD2 H 1 1.72 0.02 A 97 LYS HD3 H 1 1.72 0.02 A 97 LYS HE2 H 1 2.78 0.02 A 97 LYS HE3 H 1 2.78 0.02 A 97 LYS HG2 H 1 1.45 0.02 A 97 LYS HG3 H 1 1.45 0.02 A 97 LYS C C 13 176.02 0.3 A 97 LYS CA C 13 54.41 0.3 A 97 LYS CB C 13 33.27 0.3 A 97 LYS CD C 13 28.64 0.3 A 97 LYS CE C 13 42.10 0.3 A 97 LYS CG C 13 24.69 0.3 A 97 LYS N N 15 121.46 0.3 A 98 MET H H 1 9.33 0.02 A 98 MET HA H 1 3.80 0.02 A 98 MET HBx H 1 1.94 0.02 A 98 MET HBy H 1 1.97 0.02 A 98 MET HE% H 1 1.40 0.02 A 98 MET HG2 H 1 2.17 0.02 A 98 MET HG3 H 1 2.17 0.02 A 98 MET C C 13 177.63 0.3 A 98 MET CA C 13 56.07 0.3 A 98 MET CB C 13 34.58 0.3 A 98 MET CG C 13 28.32 0.3 A 98 MET N N 15 127.05 0.3 A 99 VAL H H 1 10.20 0.02 A 99 VAL HA H 1 3.71 0.02 A 99 VAL HB H 1 1.83 0.02 A 99 VAL HGx% H 1 0.96 0.02 A 99 VAL HGy% H 1 1.00 0.02 A 99 VAL C C 13 177.24 0.3 A 99 VAL CA C 13 65.96 0.3 A 99 VAL CB C 13 32.54 0.3 A 99 VAL CG1 C 13 21.02 0.3 A 99 VAL CG2 C 13 21.02 0.3 A 99 VAL N N 15 136.07 0.3 A 100 ASN H H 1 9.69 0.02 A 100 ASN HA H 1 4.07 0.02 A 100 ASN HBx H 1 2.73 0.02 A 100 ASN HBy H 1 2.91 0.02 A 100 ASN HD2x H 1 6.56 0.02 A 100 ASN HD2y H 1 9.58 0.02 A 100 ASN C C 13 174.18 0.3 A 100 ASN CA C 13 57.02 0.3 A 100 ASN CB C 13 34.97 0.3 A 100 ASN N N 15 108.59 0.3 A 100 ASN ND2 N 15 121.03 0.3 A 101 GLU H H 1 6.12 0.02 A 101 GLU HA H 1 3.66 0.02 A 101 GLU HBx H 1 1.89 0.02 A 101 GLU HBy H 1 2.23 0.02 A 101 GLU HG2 H 1 2.13 0.02 A 101 GLU HG3 H 1 2.13 0.02 A 101 GLU C C 13 180.96 0.3 A 101 GLU CA C 13 59.54 0.3 A 101 GLU CB C 13 30.45 0.3 A 101 GLU CG C 13 35.25 0.3 A 101 GLU N N 15 112.78 0.3 A 102 ALA H H 1 7.82 0.02 A 102 ALA HA H 1 4.08 0.02 A 102 ALA HB% H 1 1.70 0.02 A 102 ALA C C 13 179.65 0.3 A 102 ALA CA C 13 55.47 0.3 A 102 ALA CB C 13 18.31 0.3 A 102 ALA N N 15 122.63 0.3 A 103 LEU H H 1 8.04 0.02 A 103 LEU HA H 1 3.29 0.02 A 103 LEU HBx H 1 1.09 0.02 A 103 LEU HBy H 1 1.70 0.02 A 103 LEU HD1% H 1 0.79 0.02 A 103 LEU HD2% H 1 0.79 0.02 A 103 LEU HG H 1 1.56 0.02 A 103 LEU C C 13 178.72 0.3 A 103 LEU CA C 13 57.95 0.3 A 103 LEU CB C 13 45.20 0.3 A 103 LEU CDx C 13 24.34 0.3 A 103 LEU CDy C 13 24.46 0.3 A 103 LEU CG C 13 27.01 0.3 A 103 LEU N N 15 116.27 0.3 A 104 VAL H H 1 6.81 0.02 A 104 VAL HA H 1 3.90 0.02 A 104 VAL HB H 1 2.08 0.02 A 104 VAL HG1% H 1 1.00 0.02 A 104 VAL HG2% H 1 1.00 0.02 A 104 VAL C C 13 180.38 0.3 A 104 VAL CA C 13 64.86 0.3 A 104 VAL CB C 13 32.04 0.3 A 104 VAL CGx C 13 22.89 0.3 A 104 VAL CGy C 13 23.86 0.3 A 104 VAL N N 15 116.56 0.3 A 105 ARG H H 1 9.17 0.02 A 105 ARG HA H 1 4.11 0.02 A 105 ARG HBx H 1 2.01 0.02 A 105 ARG HBy H 1 2.04 0.02 A 105 ARG HE H 1 7.40 0.02 A 105 ARG HG2 H 1 1.54 0.02 A 105 ARG HG3 H 1 1.54 0.02 A 105 ARG C C 13 176.10 0.3 A 105 ARG CA C 13 57.15 0.3 A 105 ARG CB C 13 28.32 0.3 A 105 ARG CD C 13 41.82 0.3 A 105 ARG CG C 13 27.21 0.3 A 105 ARG N N 15 122.85 0.3 A 106 GLN H H 1 7.19 0.02 A 106 GLN HA H 1 4.30 0.02 A 106 GLN HBx H 1 1.47 0.02 A 106 GLN HBy H 1 1.99 0.02 A 106 GLN HGx H 1 2.39 0.02 A 106 GLN HGy H 1 2.41 0.02 A 106 GLN C C 13 175.69 0.3 A 106 GLN CA C 13 54.10 0.3 A 106 GLN CB C 13 28.46 0.3 A 106 GLN CG C 13 33.91 0.3 A 106 GLN N N 15 112.11 0.3 A 107 GLY H H 1 8.04 0.02 A 107 GLY HAx H 1 4.03 0.02 A 107 GLY HAy H 1 4.24 0.02 A 107 GLY C C 13 172.25 0.3 A 107 GLY CA C 13 46.52 0.3 A 107 GLY N N 15 107.03 0.3 A 108 LEU H H 1 7.70 0.02 A 108 LEU HA H 1 4.32 0.02 A 108 LEU HBx H 1 1.26 0.02 A 108 LEU HBy H 1 1.41 0.02 A 108 LEU HDx% H 1 0.76 0.02 A 108 LEU HDy% H 1 0.43 0.02 A 108 LEU HG H 1 1.07 0.02 A 108 LEU C C 13 173.21 0.3 A 108 LEU CA C 13 53.43 0.3 A 108 LEU CB C 13 43.60 0.3 A 108 LEU CD1 C 13 22.83 0.3 A 108 LEU CD2 C 13 22.83 0.3 A 108 LEU CG C 13 26.24 0.3 A 108 LEU N N 15 114.55 0.3 A 109 ALA H H 1 7.10 0.02 A 109 ALA HA H 1 4.47 0.02 A 109 ALA HB% H 1 1.06 0.02 A 109 ALA C C 13 174.42 0.3 A 109 ALA CA C 13 50.38 0.3 A 109 ALA CB C 13 24.60 0.3 A 109 ALA N N 15 113.74 0.3 A 110 LYS H H 1 8.15 0.02 A 110 LYS HA H 1 5.08 0.02 A 110 LYS HBx H 1 1.84 0.02 A 110 LYS HBy H 1 1.87 0.02 A 110 LYS C C 13 175.52 0.3 A 110 LYS CA C 13 53.96 0.3 A 110 LYS CB C 13 35.63 0.3 A 110 LYS CD C 13 29.53 0.3 A 110 LYS CE C 13 41.94 0.3 A 110 LYS CG C 13 24.66 0.3 A 110 LYS N N 15 117.98 0.3 A 111 VAL H H 1 9.13 0.02 A 111 VAL HA H 1 4.52 0.02 A 111 VAL HB H 1 1.98 0.02 A 111 VAL HGx% H 1 0.92 0.02 A 111 VAL HGy% H 1 1.00 0.02 A 111 VAL C C 13 176.65 0.3 A 111 VAL CA C 13 63.43 0.3 A 111 VAL CB C 13 31.02 0.3 A 111 VAL CGx C 13 20.98 0.3 A 111 VAL CGy C 13 24.46 0.3 A 111 VAL N N 15 122.40 0.3 A 112 ALA H H 1 7.92 0.02 A 112 ALA HA H 1 4.16 0.02 A 112 ALA HB% H 1 1.00 0.02 A 112 ALA C C 13 174.42 0.3 A 112 ALA CA C 13 51.21 0.3 A 112 ALA CB C 13 22.48 0.3 A 112 ALA N N 15 132.09 0.3 A 113 TYR H H 1 8.09 0.02 A 113 TYR HA H 1 3.90 0.02 A 113 TYR HBx H 1 2.90 0.02 A 113 TYR HBy H 1 3.03 0.02 A 113 TYR HD1 H 1 6.77 0.02 A 113 TYR HD2 H 1 6.77 0.02 A 113 TYR HE1 H 1 6.90 0.02 A 113 TYR HE2 H 1 6.90 0.02 A 113 TYR C C 13 175.21 0.3 A 113 TYR CA C 13 58.61 0.3 A 113 TYR CB C 13 36.56 0.3 A 113 TYR N N 15 115.96 0.3 A 114 VAL H H 1 7.69 0.02 A 114 VAL HA H 1 3.66 0.02 A 114 VAL HB H 1 1.81 0.02 A 114 VAL HGx% H 1 0.71 0.02 A 114 VAL HGy% H 1 0.72 0.02 A 114 VAL C C 13 174.48 0.3 A 114 VAL CA C 13 62.24 0.3 A 114 VAL CB C 13 31.97 0.3 A 114 VAL CG1 C 13 22.14 0.3 A 114 VAL CG2 C 13 22.14 0.3 A 114 VAL N N 15 124.11 0.3 A 115 TYR H H 1 8.94 0.02 A 115 TYR HA H 1 4.81 0.02 A 115 TYR HBy H 1 3.01 0.02 A 115 TYR HBx H 1 2.97 0.02 A 115 TYR HD1 H 1 7.21 0.02 A 115 TYR HD2 H 1 7.21 0.02 A 115 TYR HE1 H 1 6.83 0.02 A 115 TYR HE2 H 1 6.83 0.02 A 115 TYR C C 13 175.74 0.3 A 115 TYR CA C 13 56.99 0.3 A 115 TYR CB C 13 39.45 0.3 A 115 TYR N N 15 128.02 0.3 A 116 LYS H H 1 8.79 0.02 A 116 LYS HA H 1 3.90 0.02 A 116 LYS HB2 H 1 1.76 0.02 A 116 LYS HB3 H 1 1.76 0.02 A 116 LYS HD2 H 1 1.73 0.02 A 116 LYS HD3 H 1 1.73 0.02 A 116 LYS HE2 H 1 2.98 0.02 A 116 LYS HE3 H 1 2.98 0.02 A 116 LYS HGy H 1 1.51 0.02 A 116 LYS HGx H 1 1.28 0.02 A 116 LYS C C 13 175.11 0.3 A 116 LYS CA C 13 56.30 0.3 A 116 LYS CB C 13 31.54 0.3 A 116 LYS CD C 13 29.51 0.3 A 116 LYS CE C 13 41.93 0.3 A 116 LYS CG C 13 24.71 0.3 A 116 LYS N N 15 125.62 0.3 A 117 PRO HA H 1 4.57 0.02 A 117 PRO HBx H 1 2.15 0.02 A 117 PRO HBy H 1 2.38 0.02 A 117 PRO HD2 H 1 3.59 0.02 A 117 PRO HD3 H 1 3.59 0.02 A 117 PRO C C 13 174.37 0.3 A 117 PRO CA C 13 64.02 0.3 A 117 PRO CB C 13 32.75 0.3 A 117 PRO CD C 13 49.55 0.3 A 117 PRO CG C 13 23.75 0.3 A 118 ASN H H 1 8.66 0.02 A 118 ASN HA H 1 5.28 0.02 A 118 ASN HBx H 1 3.13 0.02 A 118 ASN HBy H 1 3.53 0.02 A 118 ASN HD2x H 1 7.42 0.02 A 118 ASN HD2y H 1 8.09 0.02 A 118 ASN C C 13 174.40 0.3 A 118 ASN CA C 13 51.68 0.3 A 118 ASN CB C 13 36.24 0.3 A 118 ASN N N 15 128.27 0.3 A 118 ASN ND2 N 15 107.95 0.3 A 119 ASN H H 1 8.11 0.02 A 119 ASN HA H 1 4.88 0.02 A 119 ASN HBx H 1 2.07 0.02 A 119 ASN HBy H 1 3.25 0.02 A 119 ASN HD2y H 1 7.65 0.02 A 119 ASN HD2x H 1 6.87 0.02 A 119 ASN C C 13 177.96 0.3 A 119 ASN CA C 13 52.10 0.3 A 119 ASN CB C 13 39.75 0.3 A 119 ASN N N 15 117.92 0.3 A 119 ASN ND2 N 15 111.18 0.3 A 120 THR H H 1 10.71 0.02 A 120 THR HA H 1 3.88 0.02 A 120 THR HB H 1 3.78 0.02 A 120 THR HG2% H 1 0.74 0.02 A 120 THR C C 13 175.55 0.3 A 120 THR CA C 13 66.59 0.3 A 120 THR CB C 13 69.11 0.3 A 120 THR N N 15 124.11 0.3 A 121 HIS H H 1 6.88 0.02 A 121 HIS HA H 1 5.46 0.02 A 121 HIS HBx H 1 2.35 0.02 A 121 HIS HBy H 1 3.24 0.02 A 121 HIS C C 13 174.04 0.3 A 121 HIS CA C 13 53.03 0.3 A 121 HIS CB C 13 28.32 0.3 A 121 HIS N N 15 112.02 0.3 A 122 GLU H H 1 7.53 0.02 A 122 GLU HA H 1 3.70 0.02 A 122 GLU HBx H 1 1.96 0.02 A 122 GLU HBy H 1 2.21 0.02 A 122 GLU HG2 H 1 2.13 0.02 A 122 GLU HG3 H 1 2.13 0.02 A 122 GLU C C 13 177.17 0.3 A 122 GLU CA C 13 61.27 0.3 A 122 GLU CB C 13 30.33 0.3 A 122 GLU CG C 13 35.25 0.3 A 122 GLU N N 15 120.28 0.3 A 123 GLN H H 1 8.92 0.02 A 123 GLN HA H 1 3.98 0.02 A 123 GLN HBy H 1 2.15 0.02 A 123 GLN HBx H 1 2.12 0.02 A 123 GLN HG2 H 1 2.45 0.02 A 123 GLN HG3 H 1 2.45 0.02 A 123 GLN C C 13 178.55 0.3 A 123 GLN CA C 13 59.68 0.3 A 123 GLN CB C 13 27.39 0.3 A 123 GLN CG C 13 34.03 0.3 A 123 GLN N N 15 117.55 0.3 A 124 LEU H H 1 7.93 0.02 A 124 LEU HA H 1 4.11 0.02 A 124 LEU HBx H 1 1.78 0.02 A 124 LEU HBy H 1 1.79 0.02 A 124 LEU HDx% H 1 0.74 0.02 A 124 LEU HDy% H 1 0.90 0.02 A 124 LEU HG H 1 1.49 0.02 A 124 LEU C C 13 179.10 0.3 A 124 LEU CA C 13 58.32 0.3 A 124 LEU CB C 13 42.30 0.3 A 124 LEU CDx C 13 24.11 0.3 A 124 LEU CDy C 13 25.85 0.3 A 124 LEU CG C 13 27.13 0.3 A 124 LEU N N 15 121.87 0.3 A 125 LEU H H 1 7.89 0.02 A 125 LEU HA H 1 4.00 0.02 A 125 LEU HBx H 1 1.55 0.02 A 125 LEU HBy H 1 1.88 0.02 A 125 LEU HDx% H 1 0.75 0.02 A 125 LEU HDy% H 1 0.91 0.02 A 125 LEU HG H 1 1.80 0.02 A 125 LEU C C 13 179.10 0.3 A 125 LEU CA C 13 59.01 0.3 A 125 LEU CB C 13 41.21 0.3 A 125 LEU CDx C 13 24.10 0.3 A 125 LEU CDy C 13 26.04 0.3 A 125 LEU CG C 13 29.43 0.3 A 125 LEU N N 15 119.15 0.3 A 126 ARG H H 1 8.96 0.02 A 126 ARG HA H 1 4.02 0.02 A 126 ARG HBx H 1 1.98 0.02 A 126 ARG HBy H 1 2.06 0.02 A 126 ARG HD2 H 1 3.19 0.02 A 126 ARG HD3 H 1 3.19 0.02 A 126 ARG HG2 H 1 1.81 0.02 A 126 ARG HG3 H 1 1.81 0.02 A 126 ARG C C 13 179.72 0.3 A 126 ARG CA C 13 60.61 0.3 A 126 ARG CB C 13 29.25 0.3 A 126 ARG CD C 13 43.24 0.3 A 126 ARG CG C 13 25.03 0.3 A 126 ARG N N 15 119.00 0.3 A 127 LYS H H 1 8.17 0.02 A 127 LYS HA H 1 4.16 0.02 A 127 LYS HB2 H 1 2.03 0.02 A 127 LYS HB3 H 1 2.03 0.02 A 127 LYS HDx H 1 1.83 0.02 A 127 LYS HDy H 1 1.85 0.02 A 127 LYS HGx H 1 1.42 0.02 A 127 LYS HGy H 1 1.63 0.02 A 127 LYS C C 13 179.86 0.3 A 127 LYS CA C 13 59.99 0.3 A 127 LYS CB C 13 31.97 0.3 A 127 LYS CD C 13 29.57 0.3 A 127 LYS CE C 13 42.22 0.3 A 127 LYS CG C 13 25.39 0.3 A 127 LYS N N 15 122.68 0.3 A 128 SER H H 1 7.80 0.02 A 128 SER HA H 1 4.31 0.02 A 128 SER HBx H 1 3.62 0.02 A 128 SER HBy H 1 4.10 0.02 A 128 SER C C 13 175.59 0.3 A 128 SER CA C 13 62.47 0.3 A 128 SER CB C 13 63.60 0.3 A 128 SER N N 15 118.20 0.3 A 129 GLU H H 1 8.54 0.02 A 129 GLU HA H 1 3.86 0.02 A 129 GLU HB2 H 1 2.20 0.02 A 129 GLU HB3 H 1 2.20 0.02 A 129 GLU C C 13 177.41 0.3 A 129 GLU CA C 13 59.39 0.3 A 129 GLU CB C 13 31.02 0.3 A 129 GLU CG C 13 38.02 0.3 A 129 GLU N N 15 125.03 0.3 A 130 ALA H H 1 7.96 0.02 A 130 ALA HA H 1 3.86 0.02 A 130 ALA HB% H 1 1.50 0.02 A 130 ALA C C 13 181.03 0.3 A 130 ALA CA C 13 55.03 0.3 A 130 ALA CB C 13 17.70 0.3 A 130 ALA N N 15 119.61 0.3 A 131 GLN H H 1 7.51 0.02 A 131 GLN HA H 1 4.00 0.02 A 131 GLN HBx H 1 1.95 0.02 A 131 GLN HBy H 1 2.19 0.02 A 131 GLN HG2 H 1 2.39 0.02 A 131 GLN HG3 H 1 2.39 0.02 A 131 GLN C C 13 177.31 0.3 A 131 GLN CA C 13 58.61 0.3 A 131 GLN CB C 13 28.19 0.3 A 131 GLN CG C 13 33.79 0.3 A 131 GLN N N 15 118.58 0.3 A 132 ALA H H 1 7.94 0.02 A 132 ALA HA H 1 3.94 0.02 A 132 ALA HB% H 1 1.73 0.02 A 132 ALA C C 13 179.55 0.3 A 132 ALA CA C 13 55.71 0.3 A 132 ALA CB C 13 18.55 0.3 A 132 ALA N N 15 123.14 0.3 A 133 LYS H H 1 8.14 0.02 A 133 LYS HA H 1 3.49 0.02 A 133 LYS HBy H 1 1.27 0.02 A 133 LYS HBx H 1 0.77 0.02 A 133 LYS HDy H 1 1.01 0.02 A 133 LYS HDx H 1 0.80 0.02 A 133 LYS HEy H 1 2.19 0.02 A 133 LYS HEx H 1 1.97 0.02 A 133 LYS HGx H 1 0.45 0.02 A 133 LYS HGy H 1 0.58 0.02 A 133 LYS C C 13 180.93 0.3 A 133 LYS CA C 13 59.54 0.3 A 133 LYS CB C 13 32.44 0.3 A 133 LYS CD C 13 29.19 0.3 A 133 LYS CE C 13 41.19 0.3 A 133 LYS CG C 13 24.22 0.3 A 133 LYS N N 15 117.35 0.3 A 134 LYS H H 1 7.81 0.02 A 134 LYS HA H 1 3.97 0.02 A 134 LYS HBx H 1 1.94 0.02 A 134 LYS HBy H 1 1.97 0.02 A 134 LYS HDx H 1 1.69 0.02 A 134 LYS HDy H 1 1.70 0.02 A 134 LYS HE2 H 1 3.04 0.02 A 134 LYS HE3 H 1 3.04 0.02 A 134 LYS HG2 H 1 1.50 0.02 A 134 LYS HG3 H 1 1.50 0.02 A 134 LYS C C 13 178.69 0.3 A 134 LYS CA C 13 59.28 0.3 A 134 LYS CB C 13 32.31 0.3 A 134 LYS CD C 13 29.16 0.3 A 134 LYS CE C 13 41.94 0.3 A 134 LYS CG C 13 24.54 0.3 A 134 LYS N N 15 122.41 0.3 A 135 GLU H H 1 7.65 0.02 A 135 GLU HA H 1 4.05 0.02 A 135 GLU HBy H 1 2.15 0.02 A 135 GLU HBx H 1 2.07 0.02 A 135 GLU HGx H 1 2.21 0.02 A 135 GLU HGy H 1 2.52 0.02 A 135 GLU C C 13 174.73 0.3 A 135 GLU CA C 13 56.49 0.3 A 135 GLU CB C 13 30.18 0.3 A 135 GLU CG C 13 36.94 0.3 A 135 GLU N N 15 116.70 0.3 A 136 LYS H H 1 7.89 0.02 A 136 LYS HA H 1 3.67 0.02 A 136 LYS HB2 H 1 1.98 0.02 A 136 LYS HB3 H 1 1.98 0.02 A 136 LYS HD2 H 1 1.74 0.02 A 136 LYS HD3 H 1 1.74 0.02 A 136 LYS HE2 H 1 2.84 0.02 A 136 LYS HE3 H 1 2.84 0.02 A 136 LYS HGx H 1 1.41 0.02 A 136 LYS HGy H 1 1.42 0.02 A 136 LYS C C 13 175.62 0.3 A 136 LYS CA C 13 57.15 0.3 A 136 LYS CB C 13 28.99 0.3 A 136 LYS CD C 13 29.43 0.3 A 136 LYS CE C 13 42.40 0.3 A 136 LYS CG C 13 25.07 0.3 A 136 LYS N N 15 117.75 0.3 A 137 LEU H H 1 7.84 0.02 A 137 LEU HA H 1 4.20 0.02 A 137 LEU HBx H 1 1.46 0.02 A 137 LEU HBy H 1 1.55 0.02 A 137 LEU HDx% H 1 0.97 0.02 A 137 LEU HDy% H 1 0.81 0.02 A 137 LEU HG H 1 1.70 0.02 A 137 LEU C C 13 176.93 0.3 A 137 LEU CA C 13 55.29 0.3 A 137 LEU CB C 13 43.46 0.3 A 137 LEU CDx C 13 23.49 0.3 A 137 LEU CDy C 13 24.83 0.3 A 137 LEU CG C 13 27.01 0.3 A 137 LEU N N 15 118.49 0.3 A 138 ASN H H 1 8.64 0.02 A 138 ASN HA H 1 3.87 0.02 A 138 ASN HB2 H 1 2.84 0.02 A 138 ASN HB3 H 1 2.84 0.02 A 138 ASN HD2x H 1 7.13 0.02 A 138 ASN HD2y H 1 8.09 0.02 A 138 ASN CA C 13 53.17 0.3 A 138 ASN CB C 13 38.82 0.3 A 138 ASN N N 15 117.65 0.3 A 138 ASN ND2 N 15 115.74 0.3 A 139 ILE H H 1 7.76 0.02 A 139 ILE HA H 1 3.44 0.02 A 139 ILE HB H 1 1.34 0.02 A 139 ILE HD1% H 1 -0.34 0.02 A 139 ILE HG12 H 1 0.47 0.02 A 139 ILE HG13 H 1 0.47 0.02 A 139 ILE HG2% H 1 0.00 0.02 A 139 ILE C C 13 175.53 0.3 A 139 ILE CA C 13 64.29 0.3 A 139 ILE CB C 13 37.01 0.3 A 139 ILE CD1 C 13 12.90 0.3 A 139 ILE CG1 C 13 25.84 0.3 A 139 ILE CG2 C 13 17.10 0.3 A 139 ILE N N 15 118.94 0.3 A 140 TRP H H 1 7.55 0.02 A 140 TRP HA H 1 4.65 0.02 A 140 TRP HBx H 1 2.84 0.02 A 140 TRP HBy H 1 3.53 0.02 A 140 TRP HD1 H 1 7.03 0.02 A 140 TRP HE1 H 1 10.12 0.02 A 140 TRP HE3 H 1 7.71 0.02 A 140 TRP HH2 H 1 7.17 0.02 A 140 TRP HZ2 H 1 7.51 0.02 A 140 TRP HZ3 H 1 7.09 0.02 A 140 TRP C C 13 179.37 0.3 A 140 TRP CA C 13 56.62 0.3 A 140 TRP CB C 13 31.22 0.3 A 140 TRP N N 15 128.03 0.3 A 140 TRP NE1 N 15 128.74 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 SER HA A 3 SER HBy 1.0 1.8 4.5 2 2 A 3 SER H A 2 THR HA 1.0 1.8 3.7 3 3 A 3 SER H A 3 SER HBx 1.0 1.8 4.5 4 4 A 4 THR HA A 4 THR HG2% 1.0 1.8 5.7 5 5 A 3 SER HA A 4 THR H 1.0 1.8 3.7 6 6 A 4 THR H A 5 LYS HA 1.0 1.8 4.5 7 7 A 5 LYS HA A 5 LYS H 1.0 1.8 3.7 8 8 A 5 LYS H A 5 LYS HB2 1.0 1.8 3.7 9 9 A 5 LYS H A 5 LYS HG2 1.0 1.8 3.7 10 10 A 6 LYS HBx A 6 LYS HA 1.0 1.8 3.7 11 11 A 6 LYS HA A 6 LYS HBy 1.0 1.8 3.7 12 12 A 5 LYS HA A 6 LYS H 1.0 1.8 2.8 13 13 A 6 LYS HA A 6 LYS H 1.0 1.8 3.7 14 14 A 6 LYS HBx A 6 LYS H 1.0 1.8 2.8 15 15 A 6 LYS HBy A 6 LYS H 1.0 1.8 2.8 16 16 A 6 LYS H A 6 LYS HE3 1.0 1.8 4.5 17 17 A 7 LEU HA A 7 LEU HBy 1.0 1.8 3.7 18 18 A 7 LEU HA A 7 LEU HD1% 1.0 1.8 4.5 19 19 A 7 LEU HA A 7 LEU HG 1.0 1.8 3.7 20 20 A 7 LEU HD1% A 7 LEU HG 1.0 1.8 3.7 21 21 A 7 LEU HA A 7 LEU HD2% 1.0 1.8 4.5 22 22 A 6 LYS HA A 7 LEU H 1.0 1.8 2.8 23 23 A 7 LEU H A 6 LYS HG2 1.0 1.8 4.5 24 24 A 7 LEU H A 7 LEU HBx 1.0 1.8 4.0 25 25 A 7 LEU HD1% A 7 LEU H 1.0 1.8 3.7 26 26 A 8 HIS HA A 8 HIS HBx 1.0 1.8 3.7 27 27 A 8 HIS HA A 8 HIS HBy 1.0 1.8 3.7 28 28 A 8 HIS HA A 8 HIS HBx 1.0 1.8 4.5 29 29 A 8 HIS HA A 8 HIS HBy 1.0 1.8 4.5 30 30 A 8 HIS HD2 A 9 LYS HA 1.0 1.8 4.5 31 31 A 7 LEU HA A 8 HIS H 1.0 1.8 4.0 32 32 A 7 LEU HBy A 8 HIS H 1.0 1.8 2.8 33 33 A 8 HIS HA A 8 HIS H 1.0 1.8 3.7 34 34 A 8 HIS HBx A 8 HIS H 1.0 1.8 3.7 35 35 A 9 LYS HA A 8 HIS H 1.0 1.8 4.5 36 36 A 8 HIS H A 9 LYS HDy 1.0 1.8 3.7 37 37 A 9 LYS HA A 10 GLU HA 1.0 1.8 4.5 38 38 A 9 LYS HA A 9 LYS HBx 1.0 1.8 4.5 39 39 A 9 LYS HA A 9 LYS HDy 1.0 1.8 4.5 40 40 A 9 LYS HA A 9 LYS HGy 1.0 1.8 4.5 41 41 A 9 LYS HA A 9 LYS HGx 1.0 1.8 4.5 42 42 A 9 LYS HA A 9 LYS HBy 1.0 1.8 5.7 43 43 A 9 LYS HGy A 9 LYS HBy 1.0 1.8 5.7 44 44 A 9 LYS HA A 9 LYS HBx 1.0 1.8 5.7 45 45 A 9 LYS HDy A 9 LYS HBx 1.0 1.8 5.7 46 46 A 9 LYS HBx A 9 LYS HGy 1.0 1.8 4.5 47 47 A 9 LYS HDy A 9 LYS HE3 1.0 1.8 4.5 48 48 A 9 LYS HDy A 9 LYS HGx 1.0 1.8 3.7 49 49 A 8 HIS HA A 9 LYS H 1.0 1.8 4.0 50 50 A 8 HIS HBy A 9 LYS H 1.0 1.8 3.7 51 51 A 9 LYS HA A 9 LYS H 1.0 1.8 3.7 52 52 A 9 LYS HBx A 9 LYS H 1.0 1.8 3.7 53 53 A 9 LYS HDy A 9 LYS H 1.0 1.8 4.5 54 54 A 9 LYS HE3 A 9 LYS H 1.0 1.8 4.5 55 55 A 9 LYS HGy A 9 LYS H 1.0 1.8 4.5 56 56 A 9 LYS HGx A 9 LYS H 1.0 1.8 4.5 57 57 A 10 GLU HA A 10 GLU HBy 1.0 1.8 3.7 58 58 A 10 GLU HA A 10 GLU HG3 1.0 1.8 3.7 59 59 A 10 GLU HA A 10 GLU HBy 1.0 1.8 4.5 60 60 A 10 GLU HBy A 27 TYR HE1 1.0 1.8 4.5 61 61 A 10 GLU HBy A 74 VAL HGy% 1.0 1.8 5.7 62 62 A 10 GLU HA A 10 GLU HG3 1.0 1.8 3.7 63 63 A 10 GLU HA A 10 GLU HG2 1.0 1.8 4.5 64 64 A 27 TYR HE1 A 10 GLU HG2 1.0 1.8 5.7 65 65 A 74 VAL HGy% A 10 GLU HG2 1.0 1.8 5.7 66 66 A 10 GLU HA A 10 GLU H 1.0 1.8 3.7 67 67 A 10 GLU HBy A 10 GLU H 1.0 1.8 3.7 68 68 A 10 GLU H A 10 GLU HBx 1.0 1.8 3.7 69 69 A 74 VAL HGy% A 10 GLU H 1.0 1.8 5.7 70 70 A 9 LYS HA A 10 GLU H 1.0 1.8 2.8 71 71 A 9 LYS HBx A 10 GLU H 1.0 1.8 3.7 72 72 A 9 LYS HGy A 10 GLU H 1.0 1.8 4.5 73 73 A 9 LYS HGx A 10 GLU H 1.0 1.8 4.5 74 74 A 9 LYS H A 10 GLU H 1.0 1.8 4.5 75 75 A 11 PRO HA A 11 PRO HBy 1.0 1.8 3.7 76 76 A 11 PRO HA A 11 PRO HBx 1.0 1.8 4.5 77 77 A 11 PRO HA A 12 ALA HB% 1.0 1.8 5.7 78 78 A 11 PRO HA A 73 GLU HA 1.0 1.8 4.5 79 79 A 11 PRO HA A 73 GLU HBx 1.0 1.8 3.7 80 80 A 11 PRO HA A 11 PRO HBy 1.0 1.8 3.7 81 81 A 11 PRO HA A 11 PRO HBx 1.0 1.8 3.7 82 82 A 11 PRO HBx A 73 GLU HA 1.0 1.8 4.5 83 83 A 12 ALA HB% A 12 ALA HA 1.0 1.8 4.5 84 84 A 12 ALA HB% A 27 TYR HD1 1.0 1.8 5.7 85 85 A 12 ALA HB% A 73 GLU HA 1.0 1.8 5.7 86 86 A 11 PRO HA A 12 ALA H 1.0 1.8 2.8 87 87 A 11 PRO HBy A 12 ALA H 1.0 1.8 3.7 88 88 A 11 PRO HBx A 12 ALA H 1.0 1.8 3.7 89 89 A 12 ALA HA A 12 ALA H 1.0 1.8 2.8 90 90 A 12 ALA HB% A 12 ALA H 1.0 1.8 4.5 91 91 A 12 ALA H A 72 ILE HB 1.0 1.8 3.7 92 92 A 12 ALA H A 72 ILE H 1.0 1.8 4.5 93 93 A 73 GLU HA A 12 ALA H 1.0 1.8 3.7 94 94 A 12 ALA H A 74 VAL H 1.0 1.8 4.5 95 95 A 13 THR HA A 13 THR HB 1.0 1.8 4.5 96 96 A 13 THR HA A 13 THR HG2% 1.0 1.8 4.5 97 97 A 13 THR HA A 14 LEU HDy% 1.0 1.8 5.7 98 98 A 13 THR HA A 15 ILE HD1% 1.0 1.8 5.7 99 99 A 72 ILE HB A 13 THR HA 1.0 1.8 4.5 100 100 A 13 THR HA A 13 THR HG2% 1.0 1.8 4.5 101 101 A 13 THR HB A 13 THR HG2% 1.0 1.8 4.5 102 102 A 12 ALA HA A 13 THR H 1.0 1.8 2.8 103 103 A 12 ALA HB% A 13 THR H 1.0 1.8 3.7 104 104 A 13 THR HA A 13 THR H 1.0 1.8 3.7 105 105 A 13 THR HB A 13 THR H 1.0 1.8 3.7 106 106 A 13 THR H A 25 LEU HDx% 1.0 1.8 5.7 107 107 A 13 THR H A 26 MET HBx 1.0 1.8 5.0 108 108 A 13 THR H A 26 MET H 1.0 1.8 3.7 109 109 A 13 THR H A 72 ILE HG2% 1.0 1.8 4.5 110 110 A 14 LEU HA A 14 LEU HDx% 1.0 1.8 4.5 111 111 A 14 LEU HA A 25 LEU HA 1.0 1.8 5.7 112 112 A 14 LEU HA A 14 LEU HBy 1.0 1.8 3.7 113 113 A 14 LEU HDx% A 14 LEU HBy 1.0 1.8 4.5 114 114 A 14 LEU HDy% A 14 LEU HBy 1.0 1.8 4.5 115 115 A 14 LEU HBy A 15 ILE HA 1.0 1.8 5.7 116 116 A 14 LEU HBy A 16 LYS HA 1.0 1.8 4.5 117 117 A 14 LEU HDy% A 14 LEU HBy 1.0 1.8 4.5 118 118 A 14 LEU HDx% A 14 LEU HBx 1.0 1.8 5.7 119 119 A 14 LEU HDy% A 14 LEU HBx 1.0 1.8 4.5 120 120 A 14 LEU HA A 14 LEU HDx% 1.0 1.8 4.5 121 121 A 14 LEU HDx% A 14 LEU HBy 1.0 1.8 3.7 122 122 A 14 LEU HDx% A 14 LEU HBx 1.0 1.8 3.7 123 123 A 14 LEU HDx% A 16 LYS HA 1.0 1.8 4.5 124 124 A 14 LEU HDx% A 66 VAL HB 1.0 1.8 5.7 125 125 A 14 LEU HDy% A 14 LEU HA 1.0 1.8 4.5 126 126 A 14 LEU HDy% A 14 LEU HA 1.0 1.8 5.7 127 127 A 14 LEU HDy% A 14 LEU HBx 1.0 1.8 4.5 128 128 A 14 LEU HDy% A 16 LYS HA 1.0 1.8 5.7 129 129 A 14 LEU HDy% A 25 LEU HBy 1.0 1.8 4.5 130 130 A 14 LEU HDy% A 66 VAL HB 1.0 1.8 5.7 131 131 A 14 LEU HDy% A 67 GLU HA 1.0 1.8 5.7 132 132 A 14 LEU HDy% A 67 GLU HGy 1.0 1.8 5.7 133 133 A 13 THR HA A 14 LEU H 1.0 1.8 2.8 134 134 A 13 THR HG2% A 14 LEU H 1.0 1.8 4.5 135 135 A 13 THR H A 14 LEU H 1.0 1.8 4.5 136 136 A 14 LEU HA A 14 LEU H 1.0 1.8 3.7 137 137 A 14 LEU HBy A 14 LEU H 1.0 1.8 3.7 138 138 A 14 LEU HBx A 14 LEU H 1.0 1.8 3.7 139 139 A 14 LEU HDy% A 14 LEU H 1.0 1.8 4.5 140 140 A 14 LEU H A 15 ILE H 1.0 1.8 4.5 141 141 A 14 LEU H A 25 LEU HDy% 1.0 1.8 4.5 142 142 A 15 ILE HB A 15 ILE HG2% 1.0 1.8 4.5 143 143 A 15 ILE HB A 16 LYS HBx 1.0 1.8 5.7 144 144 A 15 ILE HB A 24 LYS HBy 1.0 1.8 4.5 145 145 A 15 ILE HB A 24 LYS HBx 1.0 1.8 5.7 146 146 A 14 LEU HA A 15 ILE HG13 1.0 1.8 5.7 147 147 A 15 ILE HA A 15 ILE HG2% 1.0 1.8 4.5 148 148 A 15 ILE HB A 15 ILE HG2% 1.0 1.8 4.5 149 149 A 15 ILE HG2% A 16 LYS HBx 1.0 1.8 4.5 150 150 A 15 ILE HG2% A 24 LYS HBy 1.0 1.8 4.5 151 151 A 14 LEU HDx% A 15 ILE H 1.0 1.8 3.7 152 152 A 14 LEU HDy% A 15 ILE H 1.0 1.8 4.5 153 153 A 15 ILE HA A 15 ILE H 1.0 1.8 3.7 154 154 A 15 ILE H A 15 ILE HB 1.0 1.8 3.7 155 155 A 15 ILE H A 16 LYS H 1.0 1.8 3.7 156 156 A 15 ILE H A 24 LYS HBy 1.0 1.8 3.7 157 157 A 25 LEU HA A 15 ILE H 1.0 1.8 3.7 158 158 A 14 LEU HDx% A 16 LYS HA 1.0 1.8 4.5 159 159 A 16 LYS HA A 15 ILE HG2% 1.0 1.8 4.5 160 160 A 15 ILE HG2% A 16 LYS HBx 1.0 1.8 4.5 161 161 A 16 LYS HA A 16 LYS HBx 1.0 1.8 3.7 162 162 A 15 ILE HG2% A 16 LYS HG2 1.0 1.8 4.5 163 163 A 14 LEU HDx% A 16 LYS H 1.0 1.8 4.5 164 164 A 15 ILE HA A 16 LYS H 1.0 1.8 3.7 165 165 A 15 ILE HB A 16 LYS H 1.0 1.8 3.7 166 166 A 15 ILE HG2% A 16 LYS H 1.0 1.8 3.7 167 167 A 15 ILE H A 16 LYS H 1.0 1.8 3.7 168 168 A 16 LYS HA A 16 LYS H 1.0 1.8 4.5 169 169 A 16 LYS HBx A 16 LYS H 1.0 1.8 3.7 170 170 A 24 LYS HBy A 16 LYS H 1.0 1.8 3.7 171 171 A 24 LYS HBx A 16 LYS H 1.0 1.8 3.7 172 172 A 16 LYS H A 24 LYS H 1.0 1.8 3.7 173 173 A 25 LEU HA A 16 LYS H 1.0 1.8 4.5 174 174 A 14 LEU HDy% A 17 ALA HA 1.0 1.8 4.5 175 175 A 17 ALA HA A 17 ALA HB% 1.0 1.8 4.5 176 176 A 17 ALA HA A 23 VAL HA 1.0 1.8 4.5 177 177 A 17 ALA HA A 23 VAL HB 1.0 1.8 4.5 178 178 A 17 ALA HA A 23 VAL HGx% 1.0 1.8 4.5 179 179 A 17 ALA HA A 66 VAL HGy% 1.0 1.8 5.7 180 180 A 17 ALA HA A 17 ALA HB% 1.0 1.8 4.5 181 181 A 17 ALA HB% A 18 ILE HA 1.0 1.8 4.5 182 182 A 17 ALA HB% A 23 VAL HA 1.0 1.8 5.7 183 183 A 17 ALA HB% A 23 VAL HGx% 1.0 1.8 4.5 184 184 A 17 ALA HB% A 63 LYS HA 1.0 1.8 4.5 185 185 A 17 ALA HB% A 63 LYS HBx 1.0 1.8 4.5 186 186 A 17 ALA HB% A 63 LYS HGy 1.0 1.8 4.5 187 187 A 17 ALA HB% A 66 VAL HGy% 1.0 1.8 4.5 188 188 A 14 LEU HDx% A 17 ALA H 1.0 1.8 4.5 189 189 A 17 ALA H A 16 LYS HBy 1.0 1.8 3.7 190 190 A 17 ALA H A 16 LYS HD3 1.0 1.8 4.5 191 191 A 16 LYS H A 17 ALA H 1.0 1.8 4.5 192 192 A 17 ALA HA A 17 ALA H 1.0 1.8 2.8 193 193 A 17 ALA HB% A 17 ALA H 1.0 1.8 3.7 194 194 A 18 ILE HA A 18 ILE HB 1.0 1.8 4.5 195 195 A 18 ILE HA A 18 ILE HG1y 1.0 1.8 4.5 196 196 A 18 ILE HA A 18 ILE HG2% 1.0 1.8 4.5 197 197 A 23 VAL HA A 18 ILE HA 1.0 1.8 4.5 198 198 A 23 VAL HGx% A 18 ILE HA 1.0 1.8 5.7 199 199 A 18 ILE HA A 18 ILE HB 1.0 1.8 5.7 200 200 A 18 ILE HB A 18 ILE HG2% 1.0 1.8 4.5 201 201 A 18 ILE HB A 22 THR HB 1.0 1.8 4.5 202 202 A 18 ILE HB A 22 THR HG2% 1.0 1.8 5.7 203 203 A 18 ILE HA A 18 ILE HD1% 1.0 1.8 4.5 204 204 A 18 ILE HD1% A 24 LYS HE3 1.0 1.8 5.7 205 205 A 18 ILE HG1y A 18 ILE HD1% 1.0 1.8 4.5 206 206 A 16 LYS HBy A 18 ILE HG2% 1.0 1.8 5.7 207 207 A 18 ILE HA A 18 ILE HG2% 1.0 1.8 4.5 208 208 A 18 ILE HB A 18 ILE HG2% 1.0 1.8 4.5 209 209 A 18 ILE HG2% A 18 ILE HD1% 1.0 1.8 4.5 210 210 A 18 ILE HG1y A 18 ILE HG2% 1.0 1.8 4.5 211 211 A 18 ILE HG2% A 18 ILE HG1x 1.0 1.8 4.5 212 212 A 18 ILE HG2% A 22 THR HB 1.0 1.8 5.7 213 213 A 23 VAL HA A 18 ILE HG2% 1.0 1.8 5.7 214 214 A 17 ALA HA A 18 ILE H 1.0 1.8 3.7 215 215 A 17 ALA HB% A 18 ILE H 1.0 1.8 4.5 216 216 A 18 ILE HA A 18 ILE H 1.0 1.8 3.7 217 217 A 18 ILE HB A 18 ILE H 1.0 1.8 3.7 218 218 A 18 ILE HG1y A 18 ILE H 1.0 1.8 3.7 219 219 A 18 ILE H A 19 ASP H 1.0 1.8 3.7 220 220 A 23 VAL HA A 18 ILE H 1.0 1.8 3.7 221 221 A 23 VAL HGx% A 18 ILE H 1.0 1.8 4.5 222 222 A 24 LYS H A 18 ILE H 1.0 1.8 3.7 223 223 A 18 ILE HG2% A 19 ASP HA 1.0 1.8 5.7 224 224 A 19 ASP HA A 19 ASP HBy 1.0 1.8 3.7 225 225 A 19 ASP HA A 19 ASP HBx 1.0 1.8 3.7 226 226 A 18 ILE HG2% A 19 ASP HBy 1.0 1.8 5.7 227 227 A 19 ASP HA A 19 ASP HBy 1.0 1.8 3.7 228 228 A 19 ASP HA A 19 ASP HBx 1.0 1.8 3.7 229 229 A 18 ILE HA A 19 ASP H 1.0 1.8 3.7 230 230 A 18 ILE HB A 19 ASP H 1.0 1.8 3.7 231 231 A 18 ILE HG1y A 19 ASP H 1.0 1.8 3.7 232 232 A 18 ILE HG1x A 19 ASP H 1.0 1.8 3.7 233 233 A 18 ILE HG2% A 19 ASP H 1.0 1.8 4.5 234 234 A 18 ILE H A 19 ASP H 1.0 1.8 3.7 235 235 A 19 ASP H A 19 ASP HA 1.0 1.8 3.7 236 236 A 19 ASP H A 19 ASP HBy 1.0 1.8 4.5 237 237 A 19 ASP H A 19 ASP HBx 1.0 1.8 3.7 238 238 A 22 THR HB A 19 ASP H 1.0 1.8 3.7 239 239 A 19 ASP H A 22 THR H 1.0 1.8 3.7 240 240 A 20 GLY HAy A 41 THR HG2% 1.0 1.8 5.7 241 241 A 20 GLY HAy A 58 ALA HB% 1.0 1.8 5.7 242 242 A 20 GLY HAy A 62 THR HB 1.0 1.8 4.5 243 243 A 23 VAL HGx% A 20 GLY HAx 1.0 1.8 5.7 244 244 A 41 THR HG2% A 20 GLY HAx 1.0 1.8 5.7 245 245 A 58 ALA HB% A 20 GLY HAx 1.0 1.8 5.7 246 246 A 62 THR HB A 20 GLY HAx 1.0 1.8 4.5 247 247 A 18 ILE HB A 20 GLY H 1.0 1.8 4.5 248 248 A 19 ASP HA A 20 GLY H 1.0 1.8 3.7 249 249 A 19 ASP HBx A 20 GLY H 1.0 1.8 3.7 250 250 A 20 GLY HAy A 20 GLY H 1.0 1.8 3.7 251 251 A 20 GLY HAx A 20 GLY H 1.0 1.8 3.7 252 252 A 20 GLY H A 21 ASP H 1.0 1.8 4.5 253 253 A 23 VAL HGx% A 20 GLY H 1.0 1.8 5.7 254 254 A 41 THR HG2% A 20 GLY H 1.0 1.8 5.7 255 255 A 20 GLY H A 59 SER HA 1.0 1.8 4.5 256 256 A 21 ASP HA A 21 ASP HBy 1.0 1.8 4.5 257 257 A 21 ASP HA A 21 ASP HBx 1.0 1.8 4.5 258 258 A 21 ASP HA A 36 LEU HBx 1.0 1.8 4.5 259 259 A 21 ASP HA A 36 LEU HDx% 1.0 1.8 4.5 260 260 A 21 ASP HA A 21 ASP HBy 1.0 1.8 4.5 261 261 A 21 ASP HA A 21 ASP HBy 1.0 1.8 4.5 262 262 A 21 ASP HBy A 36 LEU HBx 1.0 1.8 5.7 263 263 A 21 ASP HBy A 36 LEU HDx% 1.0 1.8 5.7 264 264 A 41 THR HG2% A 21 ASP HBy 1.0 1.8 5.7 265 265 A 19 ASP HBy A 21 ASP H 1.0 1.8 4.5 266 266 A 20 GLY HAy A 21 ASP H 1.0 1.8 4.5 267 267 A 20 GLY HAx A 21 ASP H 1.0 1.8 3.7 268 268 A 20 GLY H A 21 ASP H 1.0 1.8 3.7 269 269 A 21 ASP H A 21 ASP HA 1.0 1.8 3.7 270 270 A 21 ASP H A 21 ASP HBy 1.0 1.8 4.5 271 271 A 21 ASP H A 21 ASP HBx 1.0 1.8 4.5 272 272 A 21 ASP H A 22 THR HA 1.0 1.8 5.7 273 273 A 22 THR H A 21 ASP H 1.0 1.8 3.7 274 274 A 21 ASP H A 36 LEU HBx 1.0 1.8 4.5 275 275 A 21 ASP H A 36 LEU HDx% 1.0 1.8 5.7 276 276 A 41 THR HG2% A 21 ASP H 1.0 1.8 4.5 277 277 A 18 ILE HB A 22 THR HA 1.0 1.8 5.7 278 278 A 22 THR HB A 22 THR HA 1.0 1.8 5.7 279 279 A 22 THR HG2% A 22 THR HA 1.0 1.8 5.7 280 280 A 23 VAL HGx% A 22 THR HA 1.0 1.8 5.7 281 281 A 22 THR HA A 35 ARG HA 1.0 1.8 4.5 282 282 A 22 THR HA A 35 ARG HGy 1.0 1.8 5.7 283 283 A 22 THR HG2% A 22 THR HA 1.0 1.8 4.5 284 284 A 22 THR HG2% A 35 ARG HA 1.0 1.8 5.7 285 285 A 19 ASP H A 22 THR H 1.0 1.8 3.7 286 286 A 22 THR H A 20 GLY H 1.0 1.8 4.5 287 287 A 22 THR H A 21 ASP HA 1.0 1.8 3.7 288 288 A 22 THR H A 21 ASP HBy 1.0 1.8 4.5 289 289 A 22 THR H A 21 ASP HBx 1.0 1.8 4.5 290 290 A 22 THR H A 21 ASP H 1.0 1.8 2.8 291 291 A 22 THR H A 22 THR HA 1.0 1.8 3.7 292 292 A 22 THR HB A 22 THR H 1.0 1.8 3.7 293 293 A 22 THR HG2% A 22 THR H 1.0 1.8 4.5 294 294 A 23 VAL HGx% A 22 THR H 1.0 1.8 4.5 295 295 A 22 THR H A 23 VAL H 1.0 1.8 4.5 296 296 A 17 ALA HA A 23 VAL HA 1.0 1.8 3.7 297 297 A 17 ALA HB% A 23 VAL HA 1.0 1.8 4.5 298 298 A 23 VAL HA A 18 ILE HB 1.0 1.8 4.5 299 299 A 23 VAL HA A 18 ILE HG1y 1.0 1.8 4.5 300 300 A 23 VAL HA A 22 THR HB 1.0 1.8 5.7 301 301 A 23 VAL HA A 23 VAL HB 1.0 1.8 4.5 302 302 A 23 VAL HA A 23 VAL HGx% 1.0 1.8 4.5 303 303 A 17 ALA HA A 23 VAL HB 1.0 1.8 4.5 304 304 A 23 VAL HA A 23 VAL HB 1.0 1.8 4.5 305 305 A 23 VAL HB A 23 VAL HGx% 1.0 1.8 4.5 306 306 A 25 LEU HDx% A 23 VAL HB 1.0 1.8 5.7 307 307 A 23 VAL HB A 92 ILE HD1% 1.0 1.8 5.7 308 308 A 17 ALA HA A 23 VAL HGx% 1.0 1.8 5.7 309 309 A 23 VAL HA A 23 VAL HGx% 1.0 1.8 4.5 310 310 A 23 VAL HB A 23 VAL HGx% 1.0 1.8 3.7 311 311 A 23 VAL HGx% A 23 VAL HGy% 1.0 1.8 3.7 312 312 A 19 ASP H A 23 VAL H 1.0 1.8 5.0 313 313 A 22 THR HA A 23 VAL H 1.0 1.8 2.8 314 314 A 22 THR HB A 23 VAL H 1.0 1.8 4.5 315 315 A 22 THR H A 23 VAL H 1.0 1.8 5.7 316 316 A 23 VAL HA A 23 VAL H 1.0 1.8 3.7 317 317 A 23 VAL HB A 23 VAL H 1.0 1.8 4.5 318 318 A 23 VAL HGx% A 23 VAL H 1.0 1.8 4.5 319 319 A 23 VAL H A 23 VAL HGy% 1.0 1.8 4.5 320 320 A 23 VAL H A 34 PHE H 1.0 1.8 4.5 321 321 A 35 ARG HA A 23 VAL H 1.0 1.8 4.5 322 322 A 15 ILE HB A 24 LYS HA 1.0 1.8 4.5 323 323 A 18 ILE HD1% A 24 LYS HA 1.0 1.8 5.7 324 324 A 18 ILE HG1y A 24 LYS HA 1.0 1.8 4.5 325 325 A 24 LYS HBy A 24 LYS HA 1.0 1.8 4.5 326 326 A 24 LYS HBx A 24 LYS HA 1.0 1.8 4.5 327 327 A 24 LYS HA A 24 LYS HDy 1.0 1.8 4.5 328 328 A 24 LYS HE3 A 24 LYS HA 1.0 1.8 5.7 329 329 A 24 LYS HA A 24 LYS HGy 1.0 1.8 4.5 330 330 A 24 LYS HA A 24 LYS HGx 1.0 1.8 4.5 331 331 A 24 LYS HA A 31 PRO HBx 1.0 1.8 5.7 332 332 A 24 LYS HA A 33 THR HA 1.0 1.8 4.5 333 333 A 24 LYS HA A 33 THR HB 1.0 1.8 5.7 334 334 A 15 ILE HB A 24 LYS HBy 1.0 1.8 3.7 335 335 A 24 LYS HBy A 24 LYS HA 1.0 1.8 5.7 336 336 A 24 LYS HBy A 24 LYS HGy 1.0 1.8 4.5 337 337 A 24 LYS HBx A 24 LYS HA 1.0 1.8 5.7 338 338 A 24 LYS HBx A 24 LYS HDy 1.0 1.8 3.7 339 339 A 24 LYS HBx A 24 LYS HE3 1.0 1.8 4.5 340 340 A 24 LYS HBx A 24 LYS HGy 1.0 1.8 3.7 341 341 A 24 LYS HBx A 33 THR HA 1.0 1.8 4.5 342 342 A 16 LYS H A 24 LYS H 1.0 1.8 3.7 343 343 A 24 LYS H A 17 ALA HA 1.0 1.8 3.7 344 344 A 24 LYS H A 18 ILE HD1% 1.0 1.8 3.7 345 345 A 24 LYS H A 18 ILE HG1y 1.0 1.8 3.7 346 346 A 24 LYS H A 18 ILE HG1x 1.0 1.8 2.8 347 347 A 24 LYS H A 23 VAL HA 1.0 1.8 2.8 348 348 A 24 LYS H A 23 VAL H 1.0 1.8 4.5 349 349 A 24 LYS HBy A 24 LYS H 1.0 1.8 3.7 350 350 A 24 LYS HBx A 24 LYS H 1.0 1.8 3.7 351 351 A 14 LEU HA A 25 LEU HA 1.0 1.8 4.5 352 352 A 25 LEU HA A 25 LEU HBy 1.0 1.8 3.7 353 353 A 25 LEU HA A 25 LEU HBx 1.0 1.8 3.7 354 354 A 25 LEU HDx% A 25 LEU HA 1.0 1.8 5.7 355 355 A 25 LEU HA A 25 LEU HBy 1.0 1.8 5.7 356 356 A 25 LEU HDx% A 25 LEU HBy 1.0 1.8 5.7 357 357 A 25 LEU HBy A 25 LEU HDy% 1.0 1.8 5.7 358 358 A 25 LEU HBy A 34 PHE HD2 1.0 1.8 5.7 359 359 A 25 LEU HA A 25 LEU HBx 1.0 1.8 5.7 360 360 A 25 LEU HDx% A 25 LEU HBx 1.0 1.8 5.7 361 361 A 25 LEU HDy% A 25 LEU HBx 1.0 1.8 5.7 362 362 A 25 LEU HBx A 34 PHE HE2 1.0 1.8 5.7 363 363 A 25 LEU HDx% A 92 ILE HD1% 1.0 1.8 5.7 364 364 A 14 LEU HA A 25 LEU HDy% 1.0 1.8 4.5 365 365 A 25 LEU HDy% A 23 VAL HGy% 1.0 1.8 4.5 366 366 A 25 LEU HA A 25 LEU HDy% 1.0 1.8 4.5 367 367 A 25 LEU HBy A 25 LEU HDy% 1.0 1.8 4.5 368 368 A 25 LEU HDy% A 34 PHE HBx 1.0 1.8 4.5 369 369 A 24 LYS HA A 25 LEU H 1.0 1.8 2.8 370 370 A 25 LEU HA A 25 LEU H 1.0 1.8 4.5 371 371 A 25 LEU HDx% A 25 LEU H 1.0 1.8 5.7 372 372 A 25 LEU H A 31 PRO HA 1.0 1.8 4.5 373 373 A 25 LEU H A 34 PHE HD1 1.0 1.8 3.7 374 374 A 26 MET HA A 26 MET HBy 1.0 1.8 3.7 375 375 A 26 MET HBx A 26 MET HA 1.0 1.8 4.5 376 376 A 26 MET HA A 26 MET HGy 1.0 1.8 4.5 377 377 A 26 MET HA A 26 MET HGx 1.0 1.8 4.5 378 378 A 26 MET HA A 31 PRO HBy 1.0 1.8 4.5 379 379 A 26 MET HBx A 26 MET HA 1.0 1.8 4.5 380 380 A 26 MET HBx A 26 MET HGx 1.0 1.8 4.5 381 381 A 26 MET HA A 26 MET HGx 1.0 1.8 4.5 382 382 A 26 MET HBy A 26 MET HGx 1.0 1.8 4.5 383 383 A 26 MET HGx A 26 MET HE1 1.0 1.8 4.5 384 384 A 26 MET HGx A 29 GLY HAy 1.0 1.8 5.7 385 385 A 26 MET HGx A 29 GLY HAx 1.0 1.8 5.7 386 386 A 13 THR HB A 26 MET H 1.0 1.8 4.5 387 387 A 13 THR H A 26 MET H 1.0 1.8 3.7 388 388 A 15 ILE HD1% A 26 MET H 1.0 1.8 5.7 389 389 A 26 MET H A 15 ILE HG12 1.0 1.8 3.7 390 390 A 26 MET H A 15 ILE H 1.0 1.8 4.5 391 391 A 26 MET H A 25 LEU HA 1.0 1.8 3.7 392 392 A 25 LEU HDx% A 26 MET H 1.0 1.8 5.7 393 393 A 26 MET H A 26 MET HA 1.0 1.8 3.7 394 394 A 26 MET H A 26 MET HBy 1.0 1.8 3.7 395 395 A 26 MET HBx A 26 MET H 1.0 1.8 3.7 396 396 A 27 TYR HA A 27 TYR HBy 1.0 1.8 4.5 397 397 A 27 TYR HA A 27 TYR HBx 1.0 1.8 4.5 398 398 A 27 TYR HD1 A 27 TYR HA 1.0 1.8 4.5 399 399 A 27 TYR HA A 28 LYS HBy 1.0 1.8 4.5 400 400 A 27 TYR HBy A 34 PHE HZ 1.0 1.8 4.5 401 401 A 27 TYR HD1 A 27 TYR HA 1.0 1.8 3.7 402 402 A 27 TYR HD1 A 27 TYR HBy 1.0 1.8 3.7 403 403 A 27 TYR HD1 A 28 LYS HA 1.0 1.8 5.7 404 404 A 74 VAL HGy% A 27 TYR HD1 1.0 1.8 4.5 405 405 A 27 TYR HBx A 27 TYR HD2 1.0 1.8 3.7 406 406 A 27 TYR HD2 A 27 TYR HE2 1.0 1.8 2.8 407 407 A 27 TYR HD2 A 28 LYS HD2 1.0 1.8 4.5 408 408 A 27 TYR HD2 A 28 LYS HGy 1.0 1.8 4.5 409 409 A 27 TYR HD2 A 32 MET HBy 1.0 1.8 4.5 410 410 A 27 TYR HD2 A 32 MET HBx 1.0 1.8 4.5 411 411 A 27 TYR HD2 A 27 TYR HE2 1.0 1.8 2.8 412 412 A 15 ILE HG13 A 27 TYR H 1.0 1.8 4.5 413 413 A 26 MET HA A 27 TYR H 1.0 1.8 2.8 414 414 A 26 MET HBy A 27 TYR H 1.0 1.8 4.5 415 415 A 26 MET HGy A 27 TYR H 1.0 1.8 3.7 416 416 A 27 TYR HA A 27 TYR H 1.0 1.8 3.7 417 417 A 27 TYR HBy A 27 TYR H 1.0 1.8 3.7 418 418 A 27 TYR HBx A 27 TYR H 1.0 1.8 3.7 419 419 A 27 TYR HD1 A 27 TYR H 1.0 1.8 5.7 420 420 A 27 TYR H A 30 GLN H 1.0 1.8 3.7 421 421 A 27 TYR H A 32 MET H 1.0 1.8 4.5 422 422 A 27 TYR H A 34 PHE HE1 1.0 1.8 4.5 423 423 A 28 LYS HA A 28 LYS HBx 1.0 1.8 4.5 424 424 A 28 LYS HBy A 28 LYS HA 1.0 1.8 4.5 425 425 A 28 LYS HA A 28 LYS HGy 1.0 1.8 4.5 426 426 A 28 LYS HA A 28 LYS HGx 1.0 1.8 4.5 427 427 A 28 LYS HBy A 28 LYS HA 1.0 1.8 4.5 428 428 A 28 LYS HBy A 28 LYS HGy 1.0 1.8 4.5 429 429 A 28 LYS HBy A 28 LYS HGx 1.0 1.8 4.5 430 430 A 28 LYS HBy A 28 LYS HD3 1.0 1.8 2.8 431 431 A 28 LYS HGy A 28 LYS HD3 1.0 1.8 3.7 432 432 A 28 LYS HGx A 28 LYS HD3 1.0 1.8 4.5 433 433 A 28 LYS HD2 A 28 LYS HGy 1.0 1.8 3.7 434 434 A 28 LYS HD2 A 28 LYS HGx 1.0 1.8 3.7 435 435 A 28 LYS HA A 28 LYS HGx 1.0 1.8 3.7 436 436 A 27 TYR HA A 28 LYS H 1.0 1.8 2.8 437 437 A 27 TYR HBy A 28 LYS H 1.0 1.8 4.5 438 438 A 27 TYR HBx A 28 LYS H 1.0 1.8 4.5 439 439 A 27 TYR HD1 A 28 LYS H 1.0 1.8 3.7 440 440 A 27 TYR HE1 A 28 LYS H 1.0 1.8 5.7 441 441 A 28 LYS HA A 28 LYS H 1.0 1.8 2.8 442 442 A 28 LYS HBx A 28 LYS H 1.0 1.8 4.0 443 443 A 28 LYS HBy A 28 LYS H 1.0 1.8 3.7 444 444 A 28 LYS HGy A 28 LYS H 1.0 1.8 3.7 445 445 A 28 LYS HGx A 28 LYS H 1.0 1.8 3.7 446 446 A 28 LYS H A 29 GLY H 1.0 1.8 3.7 447 447 A 26 MET HGy A 29 GLY HAy 1.0 1.8 5.7 448 448 A 29 GLY HAy A 30 GLN HBy 1.0 1.8 5.7 449 449 A 26 MET HGy A 29 GLY H 1.0 1.8 4.5 450 450 A 27 TYR HA A 29 GLY H 1.0 1.8 4.5 451 451 A 28 LYS HBx A 29 GLY H 1.0 1.8 4.5 452 452 A 28 LYS HGy A 29 GLY H 1.0 1.8 5.7 453 453 A 28 LYS HGx A 29 GLY H 1.0 1.8 5.7 454 454 A 28 LYS H A 29 GLY H 1.0 1.8 3.7 455 455 A 29 GLY HAy A 29 GLY H 1.0 1.8 2.8 456 456 A 29 GLY HAx A 29 GLY H 1.0 1.8 3.7 457 457 A 30 GLN H A 29 GLY H 1.0 1.8 3.7 458 458 A 26 MET HE1 A 30 GLN HA 1.0 1.8 4.5 459 459 A 26 MET HGy A 30 GLN HA 1.0 1.8 4.5 460 460 A 30 GLN HBy A 30 GLN HA 1.0 1.8 3.7 461 461 A 30 GLN HA A 30 GLN HBx 1.0 1.8 3.7 462 462 A 28 LYS HBy A 30 GLN HBy 1.0 1.8 3.7 463 463 A 30 GLN HBy A 30 GLN HA 1.0 1.8 4.5 464 464 A 30 GLN HA A 30 GLN HBx 1.0 1.8 4.5 465 465 A 26 MET HA A 30 GLN H 1.0 1.8 4.5 466 466 A 26 MET HGy A 30 GLN H 1.0 1.8 3.7 467 467 A 27 TYR H A 30 GLN H 1.0 1.8 3.7 468 468 A 29 GLY HAy A 30 GLN H 1.0 1.8 3.7 469 469 A 29 GLY HAx A 30 GLN H 1.0 1.8 3.7 470 470 A 30 GLN H A 29 GLY H 1.0 1.8 3.7 471 471 A 30 GLN H A 30 GLN HA 1.0 1.8 3.7 472 472 A 30 GLN H A 30 GLN HBy 1.0 1.8 3.7 473 473 A 30 GLN H A 30 GLN HGx 1.0 1.8 3.7 474 474 A 31 PRO HA A 31 PRO HBy 1.0 1.8 3.7 475 475 A 31 PRO HBy A 30 GLN HA 1.0 1.8 4.5 476 476 A 31 PRO HA A 31 PRO HBy 1.0 1.8 4.5 477 477 A 32 MET HBy A 32 MET HA 1.0 1.8 3.7 478 478 A 32 MET HBx A 32 MET HA 1.0 1.8 4.5 479 479 A 32 MET HA A 32 MET HGy 1.0 1.8 4.5 480 480 A 32 MET HBy A 32 MET HA 1.0 1.8 4.5 481 481 A 32 MET HBy A 32 MET HGy 1.0 1.8 3.7 482 482 A 32 MET HBy A 34 PHE HE1 1.0 1.8 4.5 483 483 A 32 MET HBx A 32 MET HA 1.0 1.8 4.5 484 484 A 32 MET HBx A 34 PHE HE1 1.0 1.8 5.7 485 485 A 32 MET HA A 32 MET HGy 1.0 1.8 4.5 486 486 A 32 MET HBy A 32 MET HGy 1.0 1.8 2.8 487 487 A 34 PHE HE1 A 32 MET HGy 1.0 1.8 4.5 488 488 A 32 MET HA A 32 MET HGx 1.0 1.8 5.7 489 489 A 32 MET H A 24 LYS HDx 1.0 1.8 3.7 490 490 A 31 PRO HA A 32 MET H 1.0 1.8 2.8 491 491 A 31 PRO HBx A 32 MET H 1.0 1.8 3.7 492 492 A 32 MET H A 32 MET HA 1.0 1.8 3.7 493 493 A 32 MET HBx A 32 MET H 1.0 1.8 2.8 494 494 A 32 MET H A 33 THR H 1.0 1.8 4.5 495 495 A 24 LYS HA A 33 THR HA 1.0 1.8 4.5 496 496 A 33 THR HA A 33 THR HB 1.0 1.8 4.5 497 497 A 33 THR HA A 33 THR HG2% 1.0 1.8 4.5 498 498 A 24 LYS HA A 33 THR H 1.0 1.8 5.7 499 499 A 24 LYS HDx A 33 THR H 1.0 1.8 4.5 500 500 A 32 MET HA A 33 THR H 1.0 1.8 2.8 501 501 A 32 MET HBy A 33 THR H 1.0 1.8 3.7 502 502 A 32 MET HGy A 33 THR H 1.0 1.8 3.7 503 503 A 32 MET H A 33 THR H 1.0 1.8 4.5 504 504 A 33 THR HB A 33 THR H 1.0 1.8 3.7 505 505 A 33 THR H A 33 THR HG2% 1.0 1.8 4.5 506 506 A 34 PHE HD1 A 33 THR H 1.0 1.8 4.5 507 507 A 33 THR H A 87 ARG HA 1.0 1.8 4.5 508 508 A 33 THR H A 88 GLY HAy 1.0 1.8 5.7 509 509 A 33 THR HA A 34 PHE HA 1.0 1.8 4.5 510 510 A 34 PHE HA A 34 PHE HBy 1.0 1.8 4.5 511 511 A 34 PHE HBx A 34 PHE HA 1.0 1.8 4.5 512 512 A 34 PHE HD1 A 34 PHE HA 1.0 1.8 4.5 513 513 A 34 PHE HA A 34 PHE HBy 1.0 1.8 4.5 514 514 A 34 PHE HD1 A 34 PHE HBy 1.0 1.8 4.5 515 515 A 92 ILE HD1% A 34 PHE HBy 1.0 1.8 5.7 516 516 A 24 LYS HA A 34 PHE HD1 1.0 1.8 4.5 517 517 A 25 LEU HA A 34 PHE HD1 1.0 1.8 4.5 518 518 A 34 PHE HD1 A 32 MET HBy 1.0 1.8 3.7 519 519 A 34 PHE HD1 A 34 PHE HA 1.0 1.8 3.7 520 520 A 34 PHE HBx A 34 PHE HD1 1.0 1.8 2.8 521 521 A 34 PHE HD2 A 34 PHE HBy 1.0 1.8 2.8 522 522 A 34 PHE HD2 A 76 PHE HE2 1.0 1.8 3.7 523 523 A 92 ILE HD1% A 34 PHE HD2 1.0 1.8 4.5 524 524 A 34 PHE HD2 A 92 ILE HG13 1.0 1.8 3.7 525 525 A 23 VAL H A 34 PHE H 1.0 1.8 4.5 526 526 A 34 PHE H A 24 LYS HA 1.0 1.8 3.7 527 527 A 34 PHE H A 33 THR HA 1.0 1.8 2.8 528 528 A 34 PHE H A 33 THR HB 1.0 1.8 4.5 529 529 A 34 PHE H A 33 THR HG2% 1.0 1.8 4.5 530 530 A 34 PHE H A 34 PHE HBy 1.0 1.8 3.7 531 531 A 34 PHE H A 34 PHE HBx 1.0 1.8 3.7 532 532 A 34 PHE H A 34 PHE HD1 1.0 1.8 3.7 533 533 A 34 PHE HZ A 74 VAL HGx% 1.0 1.8 4.5 534 534 A 22 THR HA A 35 ARG HA 1.0 1.8 4.5 535 535 A 22 THR HG2% A 35 ARG HA 1.0 1.8 5.7 536 536 A 35 ARG HA A 35 ARG HBy 1.0 1.8 4.5 537 537 A 35 ARG HA A 35 ARG HD3 1.0 1.8 4.5 538 538 A 35 ARG HGy A 35 ARG HBy 1.0 1.8 2.8 539 539 A 36 LEU HBx A 35 ARG HD3 1.0 1.8 4.5 540 540 A 35 ARG HA A 35 ARG HD2 1.0 1.8 4.5 541 541 A 35 ARG HD2 A 35 ARG HBx 1.0 1.8 4.5 542 542 A 35 ARG HD2 A 35 ARG HGx 1.0 1.8 4.5 543 543 A 35 ARG HD2 A 37 LEU HDy% 1.0 1.8 5.7 544 544 A 35 ARG HGx A 35 ARG HE 1.0 1.8 3.7 545 545 A 35 ARG HGy A 35 ARG HD3 1.0 1.8 5.7 546 546 A 35 ARG HGy A 89 LEU HA 1.0 1.8 5.7 547 547 A 22 THR HG2% A 35 ARG H 1.0 1.8 5.7 548 548 A 34 PHE HA A 35 ARG H 1.0 1.8 2.8 549 549 A 34 PHE HBy A 35 ARG H 1.0 1.8 4.5 550 550 A 34 PHE HBx A 35 ARG H 1.0 1.8 4.5 551 551 A 34 PHE HD2 A 35 ARG H 1.0 1.8 4.5 552 552 A 35 ARG HBy A 35 ARG H 1.0 1.8 3.7 553 553 A 35 ARG HD3 A 35 ARG H 1.0 1.8 5.7 554 554 A 35 ARG HGx A 35 ARG H 1.0 1.8 4.5 555 555 A 35 ARG H A 88 GLY HAx 1.0 1.8 4.5 556 556 A 89 LEU HA A 35 ARG H 1.0 1.8 4.5 557 557 A 35 ARG H A 90 ALA H 1.0 1.8 5.7 558 558 A 36 LEU HA A 36 LEU HDy% 1.0 1.8 4.5 559 559 A 36 LEU HBy A 100 ASN HA 1.0 1.8 3.7 560 560 A 36 LEU HDx% A 36 LEU HBy 1.0 1.8 4.5 561 561 A 36 LEU HBy A 39 VAL HGx% 1.0 1.8 3.7 562 562 A 36 LEU HBx A 103 LEU HD1% 1.0 1.8 5.7 563 563 A 36 LEU HBx A 36 LEU HDx% 1.0 1.8 3.7 564 564 A 21 ASP HA A 36 LEU HDx% 1.0 1.8 5.7 565 565 A 21 ASP HA A 36 LEU HDx% 1.0 1.8 5.7 566 566 A 21 ASP HBx A 36 LEU HDx% 1.0 1.8 5.7 567 567 A 36 LEU HDx% A 36 LEU HA 1.0 1.8 4.5 568 568 A 36 LEU HDx% A 36 LEU HBy 1.0 1.8 3.7 569 569 A 36 LEU HBx A 36 LEU HDx% 1.0 1.8 3.7 570 570 A 36 LEU HDx% A 39 VAL HB 1.0 1.8 4.5 571 571 A 36 LEU HDx% A 39 VAL HGy% 1.0 1.8 3.7 572 572 A 21 ASP HA A 36 LEU HDy% 1.0 1.8 5.7 573 573 A 36 LEU HA A 36 LEU HDy% 1.0 1.8 5.7 574 574 A 36 LEU HBx A 36 LEU HDy% 1.0 1.8 3.7 575 575 A 36 LEU HDy% A 99 VAL HB 1.0 1.8 4.5 576 576 A 22 THR HA A 36 LEU H 1.0 1.8 4.5 577 577 A 35 ARG HA A 36 LEU H 1.0 1.8 3.7 578 578 A 36 LEU HBx A 36 LEU H 1.0 1.8 2.8 579 579 A 36 LEU HDy% A 36 LEU H 1.0 1.8 4.5 580 580 A 37 LEU HA A 37 LEU HBy 1.0 1.8 3.7 581 581 A 37 LEU HA A 37 LEU HBx 1.0 1.8 3.7 582 582 A 37 LEU HA A 37 LEU HDx% 1.0 1.8 4.5 583 583 A 37 LEU HDy% A 37 LEU HA 1.0 1.8 4.5 584 584 A 37 LEU HA A 37 LEU HBy 1.0 1.8 5.7 585 585 A 37 LEU HBy A 38 LEU HG 1.0 1.8 5.7 586 586 A 37 LEU HA A 37 LEU HBx 1.0 1.8 4.5 587 587 A 37 LEU HBx A 38 LEU HG 1.0 1.8 5.7 588 588 A 37 LEU HDy% A 37 LEU HBx 1.0 1.8 2.8 589 589 A 37 LEU HDy% A 37 LEU HG 1.0 1.8 5.7 590 590 A 37 LEU HG A 38 LEU HA 1.0 1.8 4.5 591 591 A 37 LEU HG A 38 LEU HD2% 1.0 1.8 5.7 592 592 A 37 LEU HG A 89 LEU HBy 1.0 1.8 4.5 593 593 A 37 LEU H A 100 ASN HD2x 1.0 1.8 4.5 594 594 A 35 ARG H A 37 LEU H 1.0 1.8 4.5 595 595 A 36 LEU HA A 37 LEU H 1.0 1.8 3.7 596 596 A 37 LEU HA A 37 LEU H 1.0 1.8 4.5 597 597 A 37 LEU HBy A 37 LEU H 1.0 1.8 3.7 598 598 A 37 LEU HBx A 37 LEU H 1.0 1.8 3.7 599 599 A 37 LEU HDx% A 37 LEU H 1.0 1.8 4.5 600 600 A 37 LEU HG A 37 LEU H 1.0 1.8 4.5 601 601 A 90 ALA H A 37 LEU H 1.0 1.8 3.7 602 602 A 37 LEU H A 91 TYR HA 1.0 1.8 5.7 603 603 A 38 LEU HA A 114 VAL HA 1.0 1.8 5.0 604 604 A 38 LEU HBy A 114 VAL HGy% 1.0 1.8 4.5 605 605 A 37 LEU HDy% A 38 LEU HBy 1.0 1.8 4.5 606 606 A 38 LEU HA A 38 LEU HBy 1.0 1.8 4.5 607 607 A 38 LEU HBy A 38 LEU HD1% 1.0 1.8 4.5 608 608 A 38 LEU HBx A 111 VAL HGx% 1.0 1.8 4.5 609 609 A 114 VAL HGy% A 38 LEU HBx 1.0 1.8 5.7 610 610 A 38 LEU HA A 38 LEU HBx 1.0 1.8 5.7 611 611 A 38 LEU HD1% A 38 LEU HBx 1.0 1.8 4.5 612 612 A 38 LEU HD1% A 121 HIS HBx 1.0 1.8 5.7 613 613 A 38 LEU HD2% A 119 ASN HA 1.0 1.8 5.7 614 614 A 38 LEU HD2% A 122 GLU HA 1.0 1.8 5.7 615 615 A 38 LEU HA A 38 LEU HD2% 1.0 1.8 5.7 616 616 A 38 LEU HD2% A 38 LEU HBy 1.0 1.8 4.5 617 617 A 38 LEU HD2% A 38 LEU HBx 1.0 1.8 5.7 618 618 A 38 LEU HD2% A 39 VAL HA 1.0 1.8 5.7 619 619 A 37 LEU HBy A 38 LEU H 1.0 1.8 3.7 620 620 A 37 LEU HDy% A 38 LEU H 1.0 1.8 4.5 621 621 A 38 LEU HA A 38 LEU H 1.0 1.8 2.8 622 622 A 38 LEU HBy A 38 LEU H 1.0 1.8 4.5 623 623 A 38 LEU HBx A 38 LEU H 1.0 1.8 4.5 624 624 A 38 LEU HD2% A 38 LEU H 1.0 1.8 4.5 625 625 A 38 LEU H A 39 VAL H 1.0 1.8 4.5 626 626 A 39 VAL HA A 111 VAL HA 1.0 1.8 4.5 627 627 A 39 VAL HB A 39 VAL HA 1.0 1.8 4.5 628 628 A 39 VAL HGx% A 39 VAL HA 1.0 1.8 4.5 629 629 A 39 VAL HGy% A 39 VAL HA 1.0 1.8 4.5 630 630 A 36 LEU HDx% A 39 VAL HB 1.0 1.8 4.5 631 631 A 39 VAL HB A 39 VAL HA 1.0 1.8 4.5 632 632 A 39 VAL HB A 39 VAL HGy% 1.0 1.8 4.5 633 633 A 21 ASP HA A 39 VAL HGx% 1.0 1.8 5.7 634 634 A 39 VAL HGx% A 39 VAL HA 1.0 1.8 5.7 635 635 A 39 VAL H A 112 ALA H 1.0 1.8 4.5 636 636 A 36 LEU HBx A 39 VAL H 1.0 1.8 4.5 637 637 A 38 LEU HA A 39 VAL H 1.0 1.8 3.7 638 638 A 38 LEU HBx A 39 VAL H 1.0 1.8 4.5 639 639 A 38 LEU H A 39 VAL H 1.0 1.8 3.7 640 640 A 39 VAL HA A 39 VAL H 1.0 1.8 3.7 641 641 A 39 VAL HB A 39 VAL H 1.0 1.8 4.5 642 642 A 39 VAL HGx% A 39 VAL H 1.0 1.8 4.5 643 643 A 39 VAL HGy% A 39 VAL H 1.0 1.8 4.5 644 644 A 40 ASP HBy A 40 ASP HA 1.0 1.8 4.5 645 645 A 40 ASP HBx A 112 ALA HB% 1.0 1.8 5.7 646 646 A 40 ASP HA A 40 ASP HBx 1.0 1.8 4.5 647 647 A 40 ASP H A 109 ALA HA 1.0 1.8 4.5 648 648 A 40 ASP H A 109 ALA HB% 1.0 1.8 4.5 649 649 A 40 ASP H A 110 LYS H 1.0 1.8 4.5 650 650 A 112 ALA H A 40 ASP H 1.0 1.8 4.5 651 651 A 39 VAL HA A 40 ASP H 1.0 1.8 2.8 652 652 A 39 VAL HB A 40 ASP H 1.0 1.8 4.5 653 653 A 39 VAL HGx% A 40 ASP H 1.0 1.8 4.5 654 654 A 40 ASP HA A 40 ASP H 1.0 1.8 3.7 655 655 A 40 ASP HBy A 40 ASP H 1.0 1.8 4.5 656 656 A 40 ASP HBx A 40 ASP H 1.0 1.8 3.7 657 657 A 109 ALA HA A 41 THR HA 1.0 1.8 4.5 658 658 A 41 THR HG2% A 41 THR HA 1.0 1.8 5.7 659 659 A 40 ASP HA A 41 THR H 1.0 1.8 2.8 660 660 A 40 ASP HBy A 41 THR H 1.0 1.8 3.7 661 661 A 41 THR HA A 41 THR H 1.0 1.8 3.7 662 662 A 41 THR H A 41 THR HB 1.0 1.8 3.7 663 663 A 41 THR HG2% A 41 THR H 1.0 1.8 3.7 664 664 A 44 THR HA A 44 THR HG2% 1.0 1.8 4.5 665 665 A 44 THR HG2% A 45 LYS HG2 1.0 1.8 4.5 666 666 A 44 THR HA A 44 THR H 1.0 1.8 3.7 667 667 A 44 THR HG2% A 44 THR H 1.0 1.8 5.7 668 668 A 44 THR HA A 45 LYS H 1.0 1.8 3.7 669 669 A 44 THR HG2% A 45 LYS H 1.0 1.8 4.5 670 670 A 46 HIS HA A 46 HIS HB2 1.0 1.8 3.7 671 671 A 46 HIS H A 45 LYS HA 1.0 1.8 3.7 672 672 A 45 LYS H A 46 HIS H 1.0 1.8 3.7 673 673 A 46 HIS HA A 46 HIS H 1.0 1.8 3.7 674 674 A 46 HIS HB2 A 46 HIS H 1.0 1.8 3.7 675 675 A 47 PRO HA A 46 HIS HB3 1.0 1.8 5.7 676 676 A 47 PRO HA A 47 PRO HBx 1.0 1.8 5.7 677 677 A 47 PRO HBy A 51 VAL HGy% 1.0 1.8 4.5 678 678 A 49 LYS H A 48 LYS HG2 1.0 1.8 3.7 679 679 A 49 LYS H A 49 LYS HA 1.0 1.8 4.5 680 680 A 49 LYS H A 49 LYS HB2 1.0 1.8 5.7 681 681 A 49 LYS H A 49 LYS HG2 1.0 1.8 4.5 682 682 A 51 VAL HGy% A 50 GLY HAy 1.0 1.8 5.7 683 683 A 50 GLY H A 48 LYS HA 1.0 1.8 4.5 684 684 A 51 VAL HA A 51 VAL HB 1.0 1.8 4.5 685 685 A 51 VAL HA A 51 VAL HB 1.0 1.8 3.7 686 686 A 51 VAL HB A 51 VAL HGx% 1.0 1.8 3.7 687 687 A 51 VAL HA A 51 VAL HGx% 1.0 1.8 4.5 688 688 A 51 VAL HB A 51 VAL HGx% 1.0 1.8 3.7 689 689 A 51 VAL HA A 51 VAL H 1.0 1.8 3.7 690 690 A 51 VAL HGy% A 51 VAL H 1.0 1.8 3.7 691 691 A 52 GLU HA A 52 GLU HG3 1.0 1.8 3.7 692 692 A 52 GLU HA A 52 GLU HG3 1.0 1.8 3.7 693 693 A 52 GLU HG3 A 52 GLU HB2 1.0 1.8 2.8 694 694 A 44 THR HG2% A 55 GLY HAy 1.0 1.8 5.7 695 695 A 58 ALA HB% A 55 GLY HAy 1.0 1.8 5.7 696 696 A 58 ALA HB% A 55 GLY HAx 1.0 1.8 5.7 697 697 A 55 GLY HAy A 55 GLY H 1.0 1.8 3.7 698 698 A 55 GLY H A 59 SER H 1.0 1.8 4.5 699 699 A 57 GLU HB2 A 57 GLU HG2 1.0 1.8 2.8 700 700 A 58 ALA HA A 108 LEU HDx% 1.0 1.8 5.7 701 701 A 58 ALA HA A 108 LEU HDy% 1.0 1.8 3.7 702 702 A 58 ALA HA A 108 LEU HDy% 1.0 1.8 5.7 703 703 A 58 ALA HB% A 58 ALA HA 1.0 1.8 3.7 704 704 A 58 ALA HA A 61 PHE HBy 1.0 1.8 3.7 705 705 A 58 ALA HA A 61 PHE HBx 1.0 1.8 4.5 706 706 A 58 ALA HB% A 108 LEU HDx% 1.0 1.8 5.7 707 707 A 58 ALA HB% A 58 ALA HA 1.0 1.8 3.7 708 708 A 108 LEU HDx% A 58 ALA H 1.0 1.8 5.7 709 709 A 108 LEU HDy% A 58 ALA H 1.0 1.8 4.5 710 710 A 55 GLY HAx A 58 ALA H 1.0 1.8 4.5 711 711 A 57 GLU HB2 A 58 ALA H 1.0 1.8 4.5 712 712 A 58 ALA HA A 58 ALA H 1.0 1.8 3.7 713 713 A 58 ALA HB% A 58 ALA H 1.0 1.8 3.7 714 714 A 58 ALA H A 59 SER HBx 1.0 1.8 4.5 715 715 A 59 SER H A 58 ALA H 1.0 1.8 3.7 716 716 A 41 THR HG2% A 59 SER H 1.0 1.8 5.7 717 717 A 58 ALA HB% A 59 SER H 1.0 1.8 4.5 718 718 A 59 SER H A 58 ALA H 1.0 1.8 3.7 719 719 A 59 SER HA A 59 SER H 1.0 1.8 3.7 720 720 A 59 SER H A 59 SER HBx 1.0 1.8 3.7 721 721 A 59 SER H A 60 ALA HA 1.0 1.8 5.7 722 722 A 59 SER H A 60 ALA HB% 1.0 1.8 5.7 723 723 A 59 SER H A 62 THR H 1.0 1.8 5.7 724 724 A 60 ALA HB% A 61 PHE HA 1.0 1.8 3.7 725 725 A 60 ALA HA A 60 ALA H 1.0 1.8 2.8 726 726 A 108 LEU HDx% A 61 PHE HA 1.0 1.8 5.7 727 727 A 60 ALA HB% A 61 PHE HA 1.0 1.8 5.7 728 728 A 61 PHE HBy A 61 PHE HA 1.0 1.8 4.5 729 729 A 61 PHE HBx A 61 PHE HA 1.0 1.8 4.5 730 730 A 61 PHE HA A 61 PHE HD1 1.0 1.8 4.5 731 731 A 61 PHE HA A 64 LYS HBy 1.0 1.8 3.7 732 732 A 61 PHE HBy A 103 LEU HD2% 1.0 1.8 5.7 733 733 A 108 LEU HDx% A 61 PHE HBy 1.0 1.8 5.7 734 734 A 61 PHE HBy A 61 PHE HA 1.0 1.8 4.5 735 735 A 108 LEU HDx% A 61 PHE HBx 1.0 1.8 5.7 736 736 A 61 PHE HBx A 61 PHE HA 1.0 1.8 4.5 737 737 A 61 PHE HBx A 61 PHE HD2 1.0 1.8 4.5 738 738 A 61 PHE HBx A 64 LYS HBx 1.0 1.8 5.7 739 739 A 61 PHE HD2 A 103 LEU HA 1.0 1.8 3.7 740 740 A 108 LEU HDx% A 61 PHE HD2 1.0 1.8 4.5 741 741 A 61 PHE HE2 A 102 ALA HB% 1.0 1.8 3.7 742 742 A 103 LEU HD1% A 61 PHE HE2 1.0 1.8 4.5 743 743 A 108 LEU HDx% A 61 PHE HE2 1.0 1.8 4.5 744 744 A 61 PHE HD2 A 61 PHE HE2 1.0 1.8 2.8 745 745 A 61 PHE HE2 A 62 THR HA 1.0 1.8 4.5 746 746 A 103 LEU HD2% A 61 PHE H 1.0 1.8 4.5 747 747 A 108 LEU HDx% A 61 PHE H 1.0 1.8 4.5 748 748 A 60 ALA HB% A 61 PHE H 1.0 1.8 3.7 749 749 A 61 PHE HA A 61 PHE H 1.0 1.8 2.8 750 750 A 61 PHE HBy A 61 PHE H 1.0 1.8 3.7 751 751 A 61 PHE HBx A 61 PHE H 1.0 1.8 3.7 752 752 A 61 PHE HD1 A 61 PHE H 1.0 1.8 4.5 753 753 A 62 THR H A 61 PHE H 1.0 1.8 3.7 754 754 A 61 PHE H A 63 LYS H 1.0 1.8 4.5 755 755 A 20 GLY HAx A 62 THR HG2% 1.0 1.8 3.7 756 756 A 62 THR H A 103 LEU HD2% 1.0 1.8 4.5 757 757 A 61 PHE HBy A 62 THR H 1.0 1.8 3.7 758 758 A 61 PHE HBx A 62 THR H 1.0 1.8 3.7 759 759 A 62 THR H A 61 PHE HD2 1.0 1.8 3.7 760 760 A 62 THR H A 61 PHE H 1.0 1.8 3.7 761 761 A 62 THR H A 62 THR HA 1.0 1.8 3.7 762 762 A 62 THR HB A 62 THR H 1.0 1.8 2.8 763 763 A 62 THR H A 62 THR HG2% 1.0 1.8 4.5 764 764 A 62 THR H A 63 LYS H 1.0 1.8 3.7 765 765 A 17 ALA HB% A 63 LYS HA 1.0 1.8 4.5 766 766 A 63 LYS HA A 63 LYS HBy 1.0 1.8 4.5 767 767 A 63 LYS HA A 63 LYS HBx 1.0 1.8 4.5 768 768 A 63 LYS HA A 63 LYS HDy 1.0 1.8 4.5 769 769 A 63 LYS HA A 63 LYS HGx 1.0 1.8 4.5 770 770 A 66 VAL HGy% A 63 LYS HA 1.0 1.8 4.5 771 771 A 63 LYS HGy A 63 LYS HDy 1.0 1.8 4.5 772 772 A 63 LYS HGy A 67 GLU HBy 1.0 1.8 4.5 773 773 A 61 PHE H A 63 LYS H 1.0 1.8 4.5 774 774 A 62 THR HB A 63 LYS H 1.0 1.8 3.7 775 775 A 63 LYS H A 62 THR HG2% 1.0 1.8 4.5 776 776 A 62 THR H A 63 LYS H 1.0 1.8 3.7 777 777 A 63 LYS HA A 63 LYS H 1.0 1.8 3.7 778 778 A 63 LYS HBx A 63 LYS H 1.0 1.8 2.8 779 779 A 64 LYS HD3 A 64 LYS HGy 1.0 1.8 2.8 780 780 A 61 PHE HD1 A 64 LYS HGx 1.0 1.8 4.5 781 781 A 64 LYS H A 63 LYS HE2 1.0 1.8 5.7 782 782 A 63 LYS HGy A 64 LYS H 1.0 1.8 5.7 783 783 A 64 LYS H A 64 LYS HA 1.0 1.8 2.8 784 784 A 64 LYS HBx A 64 LYS H 1.0 1.8 2.8 785 785 A 64 LYS HGx A 64 LYS H 1.0 1.8 4.5 786 786 A 64 LYS HGy A 64 LYS H 1.0 1.8 4.5 787 787 A 64 LYS H A 65 MET H 1.0 1.8 2.8 788 788 A 65 MET HA A 65 MET HBx 1.0 1.8 3.7 789 789 A 65 MET HA A 65 MET HBy 1.0 1.8 3.7 790 790 A 65 MET HA A 65 MET HG2 1.0 1.8 4.5 791 791 A 65 MET HA A 68 ASN HBx 1.0 1.8 4.5 792 792 A 65 MET HA A 65 MET HBx 1.0 1.8 3.7 793 793 A 62 THR HA A 65 MET H 1.0 1.8 4.5 794 794 A 64 LYS HBy A 65 MET H 1.0 1.8 2.8 795 795 A 64 LYS H A 65 MET H 1.0 1.8 2.8 796 796 A 65 MET H A 65 MET HA 1.0 1.8 2.8 797 797 A 65 MET H A 65 MET HG2 1.0 1.8 4.5 798 798 A 65 MET H A 66 VAL HGx% 1.0 1.8 4.5 799 799 A 66 VAL HGy% A 65 MET H 1.0 1.8 4.5 800 800 A 65 MET H A 66 VAL H 1.0 1.8 3.7 801 801 A 66 VAL HB A 66 VAL HA 1.0 1.8 4.5 802 802 A 66 VAL HGx% A 66 VAL HA 1.0 1.8 4.5 803 803 A 66 VAL HGy% A 66 VAL HA 1.0 1.8 4.5 804 804 A 66 VAL HA A 69 ALA HB% 1.0 1.8 5.7 805 805 A 14 LEU HDx% A 66 VAL HB 1.0 1.8 5.7 806 806 A 66 VAL HB A 66 VAL HGx% 1.0 1.8 3.7 807 807 A 66 VAL HB A 66 VAL HGy% 1.0 1.8 4.5 808 808 A 63 LYS HA A 66 VAL H 1.0 1.8 4.5 809 809 A 64 LYS H A 66 VAL H 1.0 1.8 5.7 810 810 A 65 MET HA A 66 VAL H 1.0 1.8 4.5 811 811 A 65 MET HBy A 66 VAL H 1.0 1.8 3.7 812 812 A 65 MET H A 66 VAL H 1.0 1.8 3.7 813 813 A 66 VAL H A 66 VAL HA 1.0 1.8 3.7 814 814 A 66 VAL HB A 66 VAL H 1.0 1.8 3.7 815 815 A 66 VAL HGx% A 66 VAL H 1.0 1.8 3.7 816 816 A 66 VAL HGy% A 66 VAL H 1.0 1.8 3.7 817 817 A 67 GLU HGy A 66 VAL H 1.0 1.8 4.5 818 818 A 66 VAL H A 67 GLU H 1.0 1.8 3.7 819 819 A 66 VAL H A 69 ALA HB% 1.0 1.8 5.7 820 820 A 67 GLU HA A 68 ASN HA 1.0 1.8 5.7 821 821 A 63 LYS HDy A 67 GLU HBx 1.0 1.8 4.5 822 822 A 72 ILE HG2% A 67 GLU HBx 1.0 1.8 4.5 823 823 A 67 GLU HBy A 64 LYS HA 1.0 1.8 3.7 824 824 A 67 GLU HBy A 67 GLU HGx 1.0 1.8 2.8 825 825 A 67 GLU HGy A 66 VAL HGx% 1.0 1.8 5.7 826 826 A 67 GLU HGy A 66 VAL HGy% 1.0 1.8 5.7 827 827 A 67 GLU HA A 67 GLU HGy 1.0 1.8 4.5 828 828 A 67 GLU HGy A 67 GLU HBx 1.0 1.8 4.5 829 829 A 66 VAL HA A 67 GLU H 1.0 1.8 3.7 830 830 A 66 VAL HGy% A 67 GLU H 1.0 1.8 4.5 831 831 A 66 VAL H A 67 GLU H 1.0 1.8 3.7 832 832 A 67 GLU HA A 67 GLU H 1.0 1.8 2.8 833 833 A 67 GLU H A 67 GLU HBx 1.0 1.8 3.7 834 834 A 67 GLU HBy A 67 GLU H 1.0 1.8 2.8 835 835 A 67 GLU HGy A 67 GLU H 1.0 1.8 3.7 836 836 A 67 GLU H A 68 ASN HD2y 1.0 1.8 4.5 837 837 A 67 GLU H A 68 ASN H 1.0 1.8 3.7 838 838 A 67 GLU H A 69 ALA H 1.0 1.8 4.5 839 839 A 68 ASN HA A 68 ASN HBy 1.0 1.8 3.7 840 840 A 65 MET HA A 68 ASN HBx 1.0 1.8 4.5 841 841 A 65 MET HA A 68 ASN HD2y 1.0 1.8 4.5 842 842 A 68 ASN HA A 68 ASN HD2y 1.0 1.8 4.5 843 843 A 68 ASN HD2y A 68 ASN HBy 1.0 1.8 3.7 844 844 A 68 ASN HD2y A 68 ASN H 1.0 1.8 4.5 845 845 A 69 ALA HB% A 68 ASN HD2y 1.0 1.8 5.7 846 846 A 64 LYS HA A 68 ASN HD2x 1.0 1.8 4.5 847 847 A 68 ASN HBx A 68 ASN HD2x 1.0 1.8 3.7 848 848 A 66 VAL HGy% A 68 ASN H 1.0 1.8 5.7 849 849 A 67 GLU HA A 68 ASN H 1.0 1.8 3.7 850 850 A 67 GLU HBx A 68 ASN H 1.0 1.8 3.7 851 851 A 67 GLU HBy A 68 ASN H 1.0 1.8 3.7 852 852 A 67 GLU HGy A 68 ASN H 1.0 1.8 4.5 853 853 A 67 GLU H A 68 ASN H 1.0 1.8 3.7 854 854 A 68 ASN HA A 68 ASN H 1.0 1.8 3.7 855 855 A 68 ASN HBx A 68 ASN H 1.0 1.8 4.0 856 856 A 68 ASN HD2y A 68 ASN H 1.0 1.8 4.5 857 857 A 68 ASN H A 69 ALA HA 1.0 1.8 5.7 858 858 A 69 ALA HB% A 68 ASN H 1.0 1.8 4.5 859 859 A 68 ASN H A 69 ALA H 1.0 1.8 3.7 860 860 A 68 ASN HBx A 69 ALA HA 1.0 1.8 5.7 861 861 A 69 ALA HB% A 69 ALA HA 1.0 1.8 4.5 862 862 A 94 ALA HB% A 69 ALA HA 1.0 1.8 5.7 863 863 A 66 VAL HA A 69 ALA HB% 1.0 1.8 4.5 864 864 A 69 ALA HB% A 69 ALA HA 1.0 1.8 4.5 865 865 A 69 ALA HB% A 72 ILE HA 1.0 1.8 5.7 866 866 A 72 ILE HG2% A 69 ALA HB% 1.0 1.8 4.5 867 867 A 69 ALA HB% A 94 ALA HA 1.0 1.8 5.7 868 868 A 94 ALA HB% A 69 ALA HB% 1.0 1.8 4.5 869 869 A 65 MET HA A 69 ALA H 1.0 1.8 4.5 870 870 A 66 VAL HA A 69 ALA H 1.0 1.8 4.5 871 871 A 66 VAL H A 69 ALA H 1.0 1.8 5.7 872 872 A 67 GLU H A 69 ALA H 1.0 1.8 4.5 873 873 A 68 ASN HA A 69 ALA H 1.0 1.8 3.7 874 874 A 68 ASN HBx A 69 ALA H 1.0 1.8 3.7 875 875 A 68 ASN H A 69 ALA H 1.0 1.8 3.7 876 876 A 69 ALA H A 69 ALA HA 1.0 1.8 3.7 877 877 A 69 ALA HB% A 69 ALA H 1.0 1.8 3.7 878 878 A 69 ALA H A 70 LYS H 1.0 1.8 4.5 879 879 A 69 ALA H A 71 LYS H 1.0 1.8 5.7 880 880 A 69 ALA H A 94 ALA HA 1.0 1.8 5.7 881 881 A 94 ALA HB% A 69 ALA H 1.0 1.8 4.5 882 882 A 70 LYS HA A 70 LYS HBy 1.0 1.8 4.5 883 883 A 70 LYS HA A 70 LYS HBx 1.0 1.8 3.7 884 884 A 70 LYS HA A 70 LYS HG3 1.0 1.8 3.7 885 885 A 70 LYS HA A 70 LYS HBy 1.0 1.8 3.7 886 886 A 69 ALA HA A 70 LYS H 1.0 1.8 2.8 887 887 A 69 ALA HB% A 70 LYS H 1.0 1.8 4.5 888 888 A 69 ALA H A 70 LYS H 1.0 1.8 5.7 889 889 A 70 LYS H A 70 LYS HA 1.0 1.8 3.7 890 890 A 70 LYS H A 70 LYS HBx 1.0 1.8 3.7 891 891 A 70 LYS H A 70 LYS HG3 1.0 1.8 3.7 892 892 A 70 LYS H A 71 LYS H 1.0 1.8 3.7 893 893 A 71 LYS HA A 71 LYS HBy 1.0 1.8 3.7 894 894 A 71 LYS HA A 71 LYS HBy 1.0 1.8 4.5 895 895 A 71 LYS HBy A 71 LYS HE2 1.0 1.8 4.5 896 896 A 71 LYS HBy A 71 LYS HG3 1.0 1.8 3.7 897 897 A 71 LYS HBy A 71 LYS HG2 1.0 1.8 3.7 898 898 A 71 LYS HA A 71 LYS HBx 1.0 1.8 3.7 899 899 A 71 LYS HG3 A 71 LYS HBx 1.0 1.8 3.7 900 900 A 69 ALA HB% A 71 LYS H 1.0 1.8 4.5 901 901 A 71 LYS H A 70 LYS HBx 1.0 1.8 3.7 902 902 A 70 LYS H A 71 LYS H 1.0 1.8 2.8 903 903 A 71 LYS H A 71 LYS HA 1.0 1.8 3.7 904 904 A 71 LYS H A 71 LYS HBy 1.0 1.8 3.7 905 905 A 71 LYS H A 71 LYS HBx 1.0 1.8 3.7 906 906 A 71 LYS H A 95 ASP HA 1.0 1.8 4.5 907 907 A 71 LYS H A 95 ASP H 1.0 1.8 4.5 908 908 A 69 ALA HB% A 72 ILE HA 1.0 1.8 5.7 909 909 A 72 ILE HA A 71 LYS HG2 1.0 1.8 4.5 910 910 A 72 ILE HB A 72 ILE HA 1.0 1.8 4.5 911 911 A 72 ILE HA A 72 ILE HD1% 1.0 1.8 4.5 912 912 A 72 ILE HA A 72 ILE HG12 1.0 1.8 4.5 913 913 A 72 ILE HG2% A 72 ILE HA 1.0 1.8 3.7 914 914 A 72 ILE HA A 94 ALA HA 1.0 1.8 4.5 915 915 A 72 ILE HB A 13 THR HA 1.0 1.8 4.5 916 916 A 72 ILE HB A 14 LEU HDy% 1.0 1.8 4.5 917 917 A 72 ILE HB A 69 ALA HB% 1.0 1.8 5.7 918 918 A 72 ILE HB A 71 LYS HA 1.0 1.8 5.7 919 919 A 72 ILE HB A 72 ILE HA 1.0 1.8 4.5 920 920 A 72 ILE HB A 72 ILE HD1% 1.0 1.8 4.5 921 921 A 72 ILE HB A 72 ILE HG12 1.0 1.8 4.5 922 922 A 73 GLU HA A 72 ILE HB 1.0 1.8 5.7 923 923 A 72 ILE HB A 92 ILE HG2% 1.0 1.8 5.7 924 924 A 12 ALA HB% A 72 ILE HD1% 1.0 1.8 4.5 925 925 A 13 THR HA A 72 ILE HD1% 1.0 1.8 5.7 926 926 A 14 LEU HDy% A 72 ILE HD1% 1.0 1.8 3.7 927 927 A 25 LEU HDx% A 72 ILE HD1% 1.0 1.8 4.5 928 928 A 66 VAL HA A 72 ILE HD1% 1.0 1.8 5.7 929 929 A 66 VAL HB A 72 ILE HD1% 1.0 1.8 4.5 930 930 A 72 ILE HA A 72 ILE HD1% 1.0 1.8 4.5 931 931 A 72 ILE HB A 72 ILE HD1% 1.0 1.8 3.7 932 932 A 72 ILE HD1% A 72 ILE HG12 1.0 1.8 3.7 933 933 A 92 ILE HD1% A 72 ILE HD1% 1.0 1.8 4.5 934 934 A 94 ALA HA A 72 ILE HD1% 1.0 1.8 4.5 935 935 A 13 THR HA A 72 ILE HG2% 1.0 1.8 4.5 936 936 A 72 ILE HG2% A 66 VAL HA 1.0 1.8 4.5 937 937 A 72 ILE HG2% A 66 VAL HB 1.0 1.8 4.5 938 938 A 72 ILE HG2% A 69 ALA HB% 1.0 1.8 4.5 939 939 A 72 ILE HG2% A 72 ILE HA 1.0 1.8 4.5 940 940 A 72 ILE HB A 72 ILE HG2% 1.0 1.8 3.7 941 941 A 72 ILE HG2% A 72 ILE HD1% 1.0 1.8 2.8 942 942 A 72 ILE HG2% A 72 ILE HG12 1.0 1.8 3.7 943 943 A 72 ILE HG2% A 94 ALA HA 1.0 1.8 4.5 944 944 A 72 ILE HG2% A 94 ALA HB% 1.0 1.8 5.7 945 945 A 12 ALA H A 72 ILE H 1.0 1.8 4.5 946 946 A 72 ILE H A 71 LYS HA 1.0 1.8 2.8 947 947 A 72 ILE H A 71 LYS HBy 1.0 1.8 3.7 948 948 A 72 ILE H A 71 LYS HG2 1.0 1.8 3.7 949 949 A 72 ILE H A 72 ILE HA 1.0 1.8 4.5 950 950 A 72 ILE HB A 72 ILE H 1.0 1.8 2.8 951 951 A 72 ILE H A 72 ILE HD1% 1.0 1.8 4.5 952 952 A 72 ILE H A 72 ILE HG12 1.0 1.8 3.7 953 953 A 72 ILE H A 72 ILE HG2% 1.0 1.8 3.7 954 954 A 11 PRO HA A 73 GLU HA 1.0 1.8 4.5 955 955 A 73 GLU HA A 73 GLU HBx 1.0 1.8 3.7 956 956 A 11 PRO HA A 73 GLU HBx 1.0 1.8 5.7 957 957 A 72 ILE HA A 73 GLU H 1.0 1.8 2.8 958 958 A 72 ILE HB A 73 GLU H 1.0 1.8 3.7 959 959 A 73 GLU H A 73 GLU HG3 1.0 1.8 4.5 960 960 A 73 GLU H A 92 ILE HA 1.0 1.8 4.5 961 961 A 92 ILE HG2% A 73 GLU H 1.0 1.8 4.5 962 962 A 73 GLU H A 93 TYR HBx 1.0 1.8 4.5 963 963 A 73 GLU H A 93 TYR H 1.0 1.8 3.7 964 964 A 74 VAL HA A 74 VAL HB 1.0 1.8 4.5 965 965 A 74 VAL HGy% A 74 VAL HA 1.0 1.8 5.7 966 966 A 92 ILE HA A 74 VAL HA 1.0 1.8 4.5 967 967 A 34 PHE HE2 A 74 VAL HB 1.0 1.8 5.7 968 968 A 74 VAL HGx% A 74 VAL HB 1.0 1.8 5.7 969 969 A 74 VAL HGy% A 74 VAL HB 1.0 1.8 4.5 970 970 A 74 VAL HB A 76 PHE HE1 1.0 1.8 5.7 971 971 A 74 VAL HB A 90 ALA HB% 1.0 1.8 5.7 972 972 A 74 VAL HB A 93 TYR HE2 1.0 1.8 5.7 973 973 A 74 VAL HGx% A 74 VAL HA 1.0 1.8 5.7 974 974 A 74 VAL HGx% A 74 VAL HB 1.0 1.8 4.5 975 975 A 74 VAL HGy% A 74 VAL HGx% 1.0 1.8 5.7 976 976 A 74 VAL HGx% A 92 ILE HA 1.0 1.8 5.7 977 977 A 74 VAL HGy% A 25 LEU HBx 1.0 1.8 5.7 978 978 A 74 VAL HGy% A 25 LEU HDx% 1.0 1.8 5.7 979 979 A 74 VAL HGy% A 34 PHE HE2 1.0 1.8 4.5 980 980 A 74 VAL HGy% A 73 GLU HA 1.0 1.8 5.7 981 981 A 74 VAL HGy% A 74 VAL HA 1.0 1.8 5.7 982 982 A 74 VAL HGy% A 74 VAL HB 1.0 1.8 4.5 983 983 A 11 PRO HA A 74 VAL H 1.0 1.8 3.7 984 984 A 74 VAL H A 72 ILE HG2% 1.0 1.8 4.5 985 985 A 73 GLU HA A 74 VAL H 1.0 1.8 3.7 986 986 A 74 VAL H A 73 GLU H 1.0 1.8 4.5 987 987 A 74 VAL H A 74 VAL HA 1.0 1.8 4.5 988 988 A 74 VAL H A 74 VAL HB 1.0 1.8 3.7 989 989 A 74 VAL H A 74 VAL HGx% 1.0 1.8 5.7 990 990 A 74 VAL HGy% A 74 VAL H 1.0 1.8 4.5 991 991 A 75 GLU HA A 75 GLU HBx 1.0 1.8 4.5 992 992 A 75 GLU HA A 75 GLU HG3 1.0 1.8 3.7 993 993 A 75 GLU HA A 76 PHE HA 1.0 1.8 4.5 994 994 A 75 GLU HA A 75 GLU HBy 1.0 1.8 4.5 995 995 A 75 GLU HBy A 91 TYR HD2 1.0 1.8 5.7 996 996 A 75 GLU HBy A 93 TYR HD2 1.0 1.8 5.7 997 997 A 75 GLU HBx A 93 TYR HD2 1.0 1.8 5.7 998 998 A 74 VAL HA A 75 GLU H 1.0 1.8 2.8 999 999 A 74 VAL HB A 75 GLU H 1.0 1.8 4.5 1000 1000 A 74 VAL HGx% A 75 GLU H 1.0 1.8 4.5 1001 1001 A 74 VAL HGy% A 75 GLU H 1.0 1.8 5.7 1002 1002 A 75 GLU HA A 75 GLU H 1.0 1.8 3.7 1003 1003 A 75 GLU HBy A 75 GLU H 1.0 1.8 3.7 1004 1004 A 75 GLU HBx A 75 GLU H 1.0 1.8 3.7 1005 1005 A 75 GLU H A 75 GLU HG2 1.0 1.8 4.5 1006 1006 A 90 ALA HB% A 75 GLU H 1.0 1.8 4.5 1007 1007 A 75 GLU H A 91 TYR HBx 1.0 1.8 4.5 1008 1008 A 93 TYR HD2 A 75 GLU H 1.0 1.8 4.5 1009 1009 A 37 LEU HDx% A 76 PHE HA 1.0 1.8 5.7 1010 1010 A 76 PHE HA A 76 PHE HBy 1.0 1.8 4.5 1011 1011 A 76 PHE HA A 76 PHE HBx 1.0 1.8 4.5 1012 1012 A 76 PHE HA A 76 PHE HD2 1.0 1.8 4.5 1013 1013 A 90 ALA HB% A 76 PHE HA 1.0 1.8 5.7 1014 1014 A 76 PHE HBy A 76 PHE HD2 1.0 1.8 4.5 1015 1015 A 76 PHE HA A 76 PHE HBx 1.0 1.8 4.5 1016 1016 A 76 PHE HBx A 76 PHE HD2 1.0 1.8 4.5 1017 1017 A 76 PHE HE2 A 76 PHE HBx 1.0 1.8 5.7 1018 1018 A 76 PHE HBx A 81 ARG HBy 1.0 1.8 5.7 1019 1019 A 76 PHE HBx A 81 ARG HG2 1.0 1.8 5.7 1020 1020 A 34 PHE HE2 A 76 PHE HD2 1.0 1.8 4.5 1021 1021 A 74 VAL HGx% A 76 PHE HD2 1.0 1.8 5.7 1022 1022 A 74 VAL HGy% A 76 PHE HD2 1.0 1.8 5.7 1023 1023 A 76 PHE HE2 A 76 PHE HD2 1.0 1.8 3.7 1024 1024 A 76 PHE HD2 A 81 ARG HA 1.0 1.8 3.7 1025 1025 A 76 PHE HD2 A 89 LEU HD2% 1.0 1.8 4.5 1026 1026 A 34 PHE HZ A 76 PHE HE2 1.0 1.8 3.7 1027 1027 A 76 PHE HE2 A 74 VAL HGx% 1.0 1.8 5.7 1028 1028 A 74 VAL HGy% A 76 PHE HE2 1.0 1.8 5.7 1029 1029 A 76 PHE HE2 A 76 PHE HD2 1.0 1.8 3.7 1030 1030 A 76 PHE HE2 A 76 PHE HZ 1.0 1.8 3.7 1031 1031 A 88 GLY HAy A 76 PHE HE2 1.0 1.8 4.5 1032 1032 A 76 PHE HE2 A 88 GLY HAx 1.0 1.8 4.5 1033 1033 A 76 PHE HE2 A 89 LEU HD2% 1.0 1.8 4.5 1034 1034 A 75 GLU HA A 76 PHE H 1.0 1.8 2.8 1035 1035 A 75 GLU HBy A 76 PHE H 1.0 1.8 4.5 1036 1036 A 75 GLU HG2 A 76 PHE H 1.0 1.8 4.5 1037 1037 A 76 PHE HA A 76 PHE H 1.0 1.8 3.7 1038 1038 A 76 PHE HBy A 76 PHE H 1.0 1.8 3.7 1039 1039 A 76 PHE HBx A 76 PHE H 1.0 1.8 3.7 1040 1040 A 76 PHE H A 76 PHE HD1 1.0 1.8 3.7 1041 1041 A 76 PHE HE1 A 76 PHE H 1.0 1.8 5.7 1042 1042 A 90 ALA HB% A 76 PHE H 1.0 1.8 4.5 1043 1043 A 37 LEU HDx% A 77 ASP HA 1.0 1.8 5.7 1044 1044 A 77 ASP HA A 77 ASP HBy 1.0 1.8 4.5 1045 1045 A 77 ASP HA A 77 ASP HBx 1.0 1.8 4.5 1046 1046 A 77 ASP HA A 78 LYS HBy 1.0 1.8 5.7 1047 1047 A 77 ASP HA A 78 LYS HGx 1.0 1.8 4.0 1048 1048 A 37 LEU HDx% A 77 ASP HBy 1.0 1.8 5.7 1049 1049 A 77 ASP HA A 77 ASP HBy 1.0 1.8 4.5 1050 1050 A 77 ASP HBx A 78 LYS HGx 1.0 1.8 4.5 1051 1051 A 81 ARG HA A 77 ASP HBy 1.0 1.8 5.7 1052 1052 A 81 ARG HG2 A 77 ASP HBy 1.0 1.8 4.5 1053 1053 A 89 LEU HBy A 77 ASP HBy 1.0 1.8 4.0 1054 1054 A 37 LEU HDx% A 77 ASP HBx 1.0 1.8 5.7 1055 1055 A 77 ASP HA A 77 ASP HBx 1.0 1.8 4.5 1056 1056 A 77 ASP HBy A 78 LYS HGx 1.0 1.8 5.7 1057 1057 A 76 PHE HBy A 77 ASP H 1.0 1.8 3.7 1058 1058 A 76 PHE HBx A 77 ASP H 1.0 1.8 4.5 1059 1059 A 76 PHE HD2 A 77 ASP H 1.0 1.8 4.5 1060 1060 A 76 PHE H A 77 ASP H 1.0 1.8 4.5 1061 1061 A 77 ASP HA A 77 ASP H 1.0 1.8 3.7 1062 1062 A 77 ASP HBx A 77 ASP H 1.0 1.8 3.7 1063 1063 A 78 LYS HA A 78 LYS HBx 1.0 1.8 3.7 1064 1064 A 78 LYS HA A 78 LYS HD2 1.0 1.8 3.7 1065 1065 A 78 LYS HGx A 78 LYS HA 1.0 1.8 4.0 1066 1066 A 78 LYS HA A 78 LYS HBx 1.0 1.8 4.5 1067 1067 A 77 ASP HA A 78 LYS HGx 1.0 1.8 4.5 1068 1068 A 78 LYS H A 120 THR HG1 1.0 1.8 4.5 1069 1069 A 77 ASP HA A 78 LYS H 1.0 1.8 3.7 1070 1070 A 77 ASP HBy A 78 LYS H 1.0 1.8 4.5 1071 1071 A 77 ASP HBx A 78 LYS H 1.0 1.8 3.7 1072 1072 A 78 LYS HA A 78 LYS H 1.0 1.8 3.7 1073 1073 A 78 LYS HBy A 78 LYS H 1.0 1.8 3.7 1074 1074 A 78 LYS HD2 A 78 LYS H 1.0 1.8 4.5 1075 1075 A 78 LYS H A 79 GLY H 1.0 1.8 3.7 1076 1076 A 79 GLY HAy A 81 ARG HG3 1.0 1.8 5.7 1077 1077 A 78 LYS HBx A 79 GLY HAx 1.0 1.8 4.5 1078 1078 A 81 ARG HG3 A 79 GLY HAx 1.0 1.8 5.7 1079 1079 A 79 GLY H A 118 ASN HA 1.0 1.8 3.7 1080 1080 A 79 GLY H A 118 ASN HD2y 1.0 1.8 4.5 1081 1081 A 77 ASP HBy A 79 GLY H 1.0 1.8 4.5 1082 1082 A 77 ASP HBx A 79 GLY H 1.0 1.8 3.7 1083 1083 A 78 LYS HBx A 79 GLY H 1.0 1.8 3.7 1084 1084 A 79 GLY H A 78 LYS HD3 1.0 1.8 4.5 1085 1085 A 78 LYS H A 79 GLY H 1.0 1.8 3.7 1086 1086 A 79 GLY H A 79 GLY HAy 1.0 1.8 3.7 1087 1087 A 79 GLY H A 79 GLY HAx 1.0 1.8 3.7 1088 1088 A 79 GLY H A 81 ARG HG3 1.0 1.8 4.5 1089 1089 A 80 GLN HA A 80 GLN HBx 1.0 1.8 3.7 1090 1090 A 80 GLN HA A 80 GLN HG3 1.0 1.8 4.5 1091 1091 A 80 GLN HA A 80 GLN HBx 1.0 1.8 3.7 1092 1092 A 80 GLN HA A 80 GLN HBy 1.0 1.8 3.7 1093 1093 A 80 GLN HE2x A 80 GLN HG2 1.0 1.8 3.7 1094 1094 A 80 GLN HG3 A 80 GLN HE2y 1.0 1.8 3.7 1095 1095 A 118 ASN HD2y A 80 GLN H 1.0 1.8 3.7 1096 1096 A 79 GLY HAy A 80 GLN H 1.0 1.8 3.7 1097 1097 A 79 GLY HAx A 80 GLN H 1.0 1.8 3.7 1098 1098 A 80 GLN HA A 80 GLN H 1.0 1.8 3.7 1099 1099 A 80 GLN HBy A 80 GLN H 1.0 1.8 3.7 1100 1100 A 80 GLN HG3 A 80 GLN H 1.0 1.8 3.7 1101 1101 A 80 GLN H A 89 LEU HD1% 1.0 1.8 5.7 1102 1102 A 76 PHE HD2 A 81 ARG HA 1.0 1.8 4.5 1103 1103 A 81 ARG HA A 80 GLN HG2 1.0 1.8 5.7 1104 1104 A 81 ARG HBy A 81 ARG HA 1.0 1.8 3.7 1105 1105 A 81 ARG HG2 A 81 ARG HA 1.0 1.8 4.5 1106 1106 A 81 ARG HA A 81 ARG HBx 1.0 1.8 4.5 1107 1107 A 81 ARG HBx A 81 ARG HD3 1.0 1.8 4.5 1108 1108 A 81 ARG HBx A 82 THR HG2% 1.0 1.8 4.5 1109 1109 A 81 ARG HBy A 81 ARG HA 1.0 1.8 3.7 1110 1110 A 81 ARG HBx A 81 ARG HD2 1.0 1.8 3.7 1111 1111 A 81 ARG HG2 A 81 ARG HD2 1.0 1.8 4.5 1112 1112 A 81 ARG HBy A 81 ARG HE 1.0 1.8 3.7 1113 1113 A 81 ARG HD3 A 81 ARG HE 1.0 1.8 3.7 1114 1114 A 81 ARG HD3 A 81 ARG HE 1.0 1.8 3.7 1115 1115 A 81 ARG HG2 A 81 ARG HE 1.0 1.8 3.7 1116 1116 A 81 ARG HBy A 81 ARG HG3 1.0 1.8 2.8 1117 1117 A 80 GLN HA A 81 ARG H 1.0 1.8 4.0 1118 1118 A 80 GLN HBx A 81 ARG H 1.0 1.8 3.7 1119 1119 A 80 GLN HG2 A 81 ARG H 1.0 1.8 3.7 1120 1120 A 81 ARG HA A 81 ARG H 1.0 1.8 3.7 1121 1121 A 81 ARG HBy A 81 ARG H 1.0 1.8 3.7 1122 1122 A 81 ARG HG3 A 81 ARG H 1.0 1.8 4.5 1123 1123 A 81 ARG H A 82 THR H 1.0 1.8 3.7 1124 1124 A 82 THR HA A 82 THR HB 1.0 1.8 4.5 1125 1125 A 82 THR HG2% A 82 THR HA 1.0 1.8 4.5 1126 1126 A 88 GLY HAy A 82 THR HA 1.0 1.8 5.7 1127 1127 A 88 GLY HAx A 82 THR HA 1.0 1.8 4.5 1128 1128 A 89 LEU HD1% A 82 THR HA 1.0 1.8 5.7 1129 1129 A 82 THR HA A 89 LEU HG 1.0 1.8 4.5 1130 1130 A 82 THR HG2% A 82 THR HB 1.0 1.8 4.5 1131 1131 A 80 GLN HA A 82 THR H 1.0 1.8 3.7 1132 1132 A 80 GLN HBx A 82 THR H 1.0 1.8 4.5 1133 1133 A 80 GLN HG2 A 82 THR H 1.0 1.8 4.5 1134 1134 A 81 ARG HA A 82 THR H 1.0 1.8 4.5 1135 1135 A 81 ARG HBy A 82 THR H 1.0 1.8 3.7 1136 1136 A 81 ARG H A 82 THR H 1.0 1.8 2.8 1137 1137 A 82 THR H A 82 THR HA 1.0 1.8 3.7 1138 1138 A 82 THR H A 82 THR HB 1.0 1.8 4.5 1139 1139 A 82 THR HG2% A 82 THR H 1.0 1.8 4.5 1140 1140 A 89 LEU HD1% A 82 THR H 1.0 1.8 5.7 1141 1141 A 82 THR H A 89 LEU HG 1.0 1.8 3.7 1142 1142 A 83 ASP HA A 83 ASP HBy 1.0 1.8 4.5 1143 1143 A 83 ASP HA A 83 ASP HBx 1.0 1.8 4.5 1144 1144 A 89 LEU HD1% A 83 ASP HA 1.0 1.8 5.7 1145 1145 A 83 ASP HA A 83 ASP HBy 1.0 1.8 4.5 1146 1146 A 83 ASP HA A 83 ASP HBx 1.0 1.8 4.5 1147 1147 A 83 ASP HBx A 87 ARG HBx 1.0 1.8 4.5 1148 1148 A 89 LEU HD1% A 83 ASP HBx 1.0 1.8 5.7 1149 1149 A 89 LEU HG A 83 ASP HBx 1.0 1.8 5.7 1150 1150 A 82 THR HA A 83 ASP H 1.0 1.8 2.8 1151 1151 A 82 THR HG2% A 83 ASP H 1.0 1.8 3.7 1152 1152 A 83 ASP HA A 83 ASP H 1.0 1.8 3.7 1153 1153 A 83 ASP HBx A 83 ASP H 1.0 1.8 3.7 1154 1154 A 89 LEU HD1% A 83 ASP H 1.0 1.8 4.5 1155 1155 A 89 LEU HG A 83 ASP H 1.0 1.8 3.7 1156 1156 A 84 LYS HA A 84 LYS HBy 1.0 1.8 3.7 1157 1157 A 84 LYS HA A 84 LYS HBx 1.0 1.8 3.7 1158 1158 A 84 LYS HA A 84 LYS HGy 1.0 1.8 4.5 1159 1159 A 84 LYS HA A 84 LYS HBy 1.0 1.8 3.7 1160 1160 A 84 LYS HA A 84 LYS HBy 1.0 1.8 4.5 1161 1161 A 84 LYS HBy A 84 LYS HGy 1.0 1.8 4.5 1162 1162 A 84 LYS HBy A 84 LYS HGx 1.0 1.8 4.5 1163 1163 A 84 LYS HA A 84 LYS HBx 1.0 1.8 3.7 1164 1164 A 84 LYS HBx A 84 LYS HGy 1.0 1.8 4.5 1165 1165 A 84 LYS HBx A 84 LYS HGx 1.0 1.8 5.7 1166 1166 A 84 LYS HGy A 84 LYS HD2 1.0 1.8 3.7 1167 1167 A 84 LYS HGx A 84 LYS HD2 1.0 1.8 3.7 1168 1168 A 84 LYS HA A 84 LYS HGy 1.0 1.8 5.7 1169 1169 A 84 LYS HBy A 84 LYS HGy 1.0 1.8 3.7 1170 1170 A 84 LYS HGy A 84 LYS HD3 1.0 1.8 3.7 1171 1171 A 83 ASP HBy A 84 LYS H 1.0 1.8 3.7 1172 1172 A 83 ASP HBx A 84 LYS H 1.0 1.8 3.7 1173 1173 A 83 ASP H A 84 LYS H 1.0 1.8 4.5 1174 1174 A 84 LYS HA A 84 LYS H 1.0 1.8 3.7 1175 1175 A 84 LYS HBy A 84 LYS H 1.0 1.8 3.7 1176 1176 A 84 LYS HBx A 84 LYS H 1.0 1.8 3.7 1177 1177 A 84 LYS HGy A 84 LYS H 1.0 1.8 4.5 1178 1178 A 84 LYS HGx A 84 LYS H 1.0 1.8 3.7 1179 1179 A 84 LYS HBx A 85 TYR HA 1.0 1.8 3.7 1180 1180 A 85 TYR HA A 85 TYR HBy 1.0 1.8 3.7 1181 1181 A 85 TYR HA A 85 TYR HBx 1.0 1.8 4.5 1182 1182 A 85 TYR HA A 85 TYR HD2 1.0 1.8 4.5 1183 1183 A 85 TYR HA A 85 TYR HE1 1.0 1.8 5.7 1184 1184 A 85 TYR HBy A 85 TYR HD1 1.0 1.8 4.5 1185 1185 A 87 ARG HBx A 85 TYR HBy 1.0 1.8 4.5 1186 1186 A 84 LYS HBx A 85 TYR HBx 1.0 1.8 5.7 1187 1187 A 85 TYR HA A 85 TYR HBx 1.0 1.8 4.5 1188 1188 A 85 TYR HBx A 85 TYR HD1 1.0 1.8 4.5 1189 1189 A 85 TYR HBx A 87 ARG HBy 1.0 1.8 5.7 1190 1190 A 85 TYR HA A 85 TYR HD1 1.0 1.8 3.7 1191 1191 A 85 TYR HBy A 85 TYR HD1 1.0 1.8 3.7 1192 1192 A 85 TYR HBx A 85 TYR HD1 1.0 1.8 3.7 1193 1193 A 85 TYR HD2 A 85 TYR HE2 1.0 1.8 2.8 1194 1194 A 84 LYS HGy A 85 TYR H 1.0 1.8 4.5 1195 1195 A 85 TYR HA A 85 TYR H 1.0 1.8 3.7 1196 1196 A 85 TYR HBy A 85 TYR H 1.0 1.8 3.7 1197 1197 A 85 TYR HBx A 85 TYR H 1.0 1.8 3.7 1198 1198 A 85 TYR HD1 A 85 TYR H 1.0 1.8 3.7 1199 1199 A 82 THR HB A 86 GLY HAy 1.0 1.8 3.7 1200 1200 A 82 THR HG2% A 86 GLY HAy 1.0 1.8 5.7 1201 1201 A 82 THR HG2% A 86 GLY HAx 1.0 1.8 5.7 1202 1202 A 84 LYS HBx A 86 GLY H 1.0 1.8 4.5 1203 1203 A 84 LYS HGx A 86 GLY H 1.0 1.8 4.5 1204 1204 A 85 TYR HA A 86 GLY H 1.0 1.8 3.7 1205 1205 A 85 TYR HBy A 86 GLY H 1.0 1.8 4.5 1206 1206 A 85 TYR HBx A 86 GLY H 1.0 1.8 4.5 1207 1207 A 85 TYR H A 86 GLY H 1.0 1.8 2.8 1208 1208 A 86 GLY HAy A 86 GLY H 1.0 1.8 3.7 1209 1209 A 86 GLY HAx A 86 GLY H 1.0 1.8 3.7 1210 1210 A 86 GLY H A 87 ARG H 1.0 1.8 3.7 1211 1211 A 33 THR HB A 87 ARG HA 1.0 1.8 3.7 1212 1212 A 87 ARG HA A 87 ARG HBy 1.0 1.8 3.7 1213 1213 A 85 TYR HBx A 87 ARG HBy 1.0 1.8 5.7 1214 1214 A 88 GLY HAx A 87 ARG HBy 1.0 1.8 5.7 1215 1215 A 85 TYR HBy A 87 ARG HE 1.0 1.8 4.5 1216 1216 A 85 TYR HBx A 87 ARG HE 1.0 1.8 4.5 1217 1217 A 85 TYR HD2 A 87 ARG HE 1.0 1.8 4.5 1218 1218 A 87 ARG HBy A 87 ARG HE 1.0 1.8 3.7 1219 1219 A 87 ARG HBx A 87 ARG HE 1.0 1.8 4.5 1220 1220 A 82 THR HB A 87 ARG H 1.0 1.8 4.5 1221 1221 A 82 THR HG2% A 87 ARG H 1.0 1.8 4.5 1222 1222 A 83 ASP H A 87 ARG H 1.0 1.8 4.5 1223 1223 A 85 TYR HBy A 87 ARG H 1.0 1.8 3.7 1224 1224 A 85 TYR HBx A 87 ARG H 1.0 1.8 3.7 1225 1225 A 85 TYR H A 87 ARG H 1.0 1.8 3.7 1226 1226 A 86 GLY HAy A 87 ARG H 1.0 1.8 3.7 1227 1227 A 86 GLY H A 87 ARG H 1.0 1.8 3.7 1228 1228 A 87 ARG HA A 87 ARG H 1.0 1.8 3.7 1229 1229 A 87 ARG HBy A 87 ARG H 1.0 1.8 3.7 1230 1230 A 87 ARG HBx A 87 ARG H 1.0 1.8 3.7 1231 1231 A 87 ARG H A 87 ARG HE 1.0 1.8 4.5 1232 1232 A 34 PHE HD2 A 88 GLY HAy 1.0 1.8 5.7 1233 1233 A 88 GLY HAy A 35 ARG HBy 1.0 1.8 5.7 1234 1234 A 88 GLY HAy A 76 PHE HE2 1.0 1.8 5.7 1235 1235 A 88 GLY HAy A 82 THR HA 1.0 1.8 5.7 1236 1236 A 88 GLY HAy A 82 THR HG2% 1.0 1.8 5.7 1237 1237 A 34 PHE HE2 A 88 GLY HAx 1.0 1.8 5.7 1238 1238 A 35 ARG HBy A 88 GLY HAx 1.0 1.8 5.7 1239 1239 A 76 PHE HE2 A 88 GLY HAx 1.0 1.8 5.7 1240 1240 A 88 GLY HAx A 82 THR HA 1.0 1.8 4.5 1241 1241 A 88 GLY HAx A 82 THR HG2% 1.0 1.8 5.7 1242 1242 A 34 PHE HA A 88 GLY H 1.0 1.8 3.7 1243 1243 A 34 PHE HD2 A 88 GLY H 1.0 1.8 5.7 1244 1244 A 35 ARG HBy A 88 GLY H 1.0 1.8 4.5 1245 1245 A 35 ARG H A 88 GLY H 1.0 1.8 4.5 1246 1246 A 87 ARG HBy A 88 GLY H 1.0 1.8 3.7 1247 1247 A 87 ARG HBx A 88 GLY H 1.0 1.8 4.5 1248 1248 A 88 GLY HAy A 88 GLY H 1.0 1.8 3.7 1249 1249 A 88 GLY HAx A 88 GLY H 1.0 1.8 3.7 1250 1250 A 88 GLY H A 89 LEU H 1.0 1.8 4.5 1251 1251 A 37 LEU HDy% A 89 LEU HA 1.0 1.8 4.5 1252 1252 A 89 LEU HA A 89 LEU HBy 1.0 1.8 3.7 1253 1253 A 89 LEU HA A 89 LEU HBx 1.0 1.8 3.7 1254 1254 A 89 LEU HA A 89 LEU HD1% 1.0 1.8 4.5 1255 1255 A 89 LEU HA A 89 LEU HG 1.0 1.8 3.7 1256 1256 A 37 LEU HDy% A 89 LEU HBx 1.0 1.8 4.5 1257 1257 A 88 GLY HAx A 89 LEU HBx 1.0 1.8 4.5 1258 1258 A 89 LEU HA A 89 LEU HBx 1.0 1.8 5.7 1259 1259 A 89 LEU HD1% A 89 LEU HBx 1.0 1.8 4.5 1260 1260 A 89 LEU HD2% A 89 LEU HBx 1.0 1.8 3.7 1261 1261 A 89 LEU HBy A 89 LEU HD1% 1.0 1.8 4.5 1262 1262 A 76 PHE HD2 A 89 LEU H 1.0 1.8 4.5 1263 1263 A 76 PHE HE2 A 89 LEU H 1.0 1.8 3.7 1264 1264 A 82 THR HA A 89 LEU H 1.0 1.8 3.7 1265 1265 A 82 THR HG2% A 89 LEU H 1.0 1.8 4.5 1266 1266 A 88 GLY HAy A 89 LEU H 1.0 1.8 3.7 1267 1267 A 88 GLY HAx A 89 LEU H 1.0 1.8 3.7 1268 1268 A 89 LEU HA A 89 LEU H 1.0 1.8 4.5 1269 1269 A 89 LEU HBy A 89 LEU H 1.0 1.8 3.7 1270 1270 A 89 LEU H A 89 LEU HBx 1.0 1.8 3.7 1271 1271 A 89 LEU HD2% A 89 LEU H 1.0 1.8 4.5 1272 1272 A 89 LEU HG A 89 LEU H 1.0 1.8 3.7 1273 1273 A 37 LEU HBx A 90 ALA HA 1.0 1.8 4.5 1274 1274 A 37 LEU HDx% A 90 ALA HA 1.0 1.8 5.7 1275 1275 A 90 ALA HB% A 90 ALA HA 1.0 1.8 4.5 1276 1276 A 34 PHE HD2 A 90 ALA HB% 1.0 1.8 4.5 1277 1277 A 90 ALA HB% A 76 PHE HBy 1.0 1.8 4.5 1278 1278 A 90 ALA HB% A 90 ALA HA 1.0 1.8 4.5 1279 1279 A 92 ILE HD1% A 90 ALA HB% 1.0 1.8 5.7 1280 1280 A 34 PHE HD2 A 90 ALA H 1.0 1.8 4.5 1281 1281 A 90 ALA H A 36 LEU HA 1.0 1.8 5.7 1282 1282 A 90 ALA H A 37 LEU HG 1.0 1.8 5.7 1283 1283 A 89 LEU HA A 90 ALA H 1.0 1.8 2.8 1284 1284 A 90 ALA H A 89 LEU HBx 1.0 1.8 4.5 1285 1285 A 90 ALA H A 90 ALA HA 1.0 1.8 3.7 1286 1286 A 90 ALA H A 90 ALA HB% 1.0 1.8 3.7 1287 1287 A 37 LEU HBx A 91 TYR HA 1.0 1.8 4.5 1288 1288 A 91 TYR HA A 90 ALA HB% 1.0 1.8 5.7 1289 1289 A 91 TYR HA A 91 TYR HBy 1.0 1.8 3.7 1290 1290 A 91 TYR HA A 91 TYR HBx 1.0 1.8 3.7 1291 1291 A 91 TYR HD2 A 91 TYR HBy 1.0 1.8 4.5 1292 1292 A 91 TYR HD1 A 125 LEU HDy% 1.0 1.8 4.5 1293 1293 A 91 TYR HA A 91 TYR HD1 1.0 1.8 4.5 1294 1294 A 91 TYR HBx A 91 TYR HD1 1.0 1.8 4.5 1295 1295 A 91 TYR HD1 A 91 TYR HE1 1.0 1.8 3.7 1296 1296 A 91 TYR HE1 A 121 HIS HBy 1.0 1.8 4.5 1297 1297 A 91 TYR HE1 A 125 LEU HDx% 1.0 1.8 4.5 1298 1298 A 125 LEU HDy% A 91 TYR HE1 1.0 1.8 4.5 1299 1299 A 38 LEU HD1% A 91 TYR HE1 1.0 1.8 4.5 1300 1300 A 75 GLU HBy A 91 TYR H 1.0 1.8 4.5 1301 1301 A 90 ALA HA A 91 TYR H 1.0 1.8 2.8 1302 1302 A 90 ALA HB% A 91 TYR H 1.0 1.8 3.7 1303 1303 A 91 TYR HA A 91 TYR H 1.0 1.8 3.7 1304 1304 A 91 TYR HBy A 91 TYR H 1.0 1.8 4.5 1305 1305 A 91 TYR HBx A 91 TYR H 1.0 1.8 3.7 1306 1306 A 91 TYR HD2 A 91 TYR H 1.0 1.8 4.5 1307 1307 A 91 TYR H A 91 TYR HE2 1.0 1.8 4.5 1308 1308 A 66 VAL HGx% A 92 ILE HA 1.0 1.8 4.5 1309 1309 A 72 ILE HB A 92 ILE HA 1.0 1.8 5.7 1310 1310 A 91 TYR HA A 92 ILE HA 1.0 1.8 4.5 1311 1311 A 92 ILE HA A 92 ILE HB 1.0 1.8 5.7 1312 1312 A 92 ILE HD1% A 23 VAL HGy% 1.0 1.8 5.7 1313 1313 A 25 LEU HDx% A 92 ILE HD1% 1.0 1.8 5.7 1314 1314 A 92 ILE HD1% A 34 PHE HBy 1.0 1.8 5.7 1315 1315 A 92 ILE HD1% A 34 PHE HBx 1.0 1.8 5.7 1316 1316 A 92 ILE HD1% A 34 PHE HD2 1.0 1.8 5.7 1317 1317 A 92 ILE HD1% A 36 LEU HA 1.0 1.8 5.7 1318 1318 A 92 ILE HD1% A 36 LEU HDy% 1.0 1.8 4.5 1319 1319 A 92 ILE HD1% A 74 VAL HA 1.0 1.8 5.7 1320 1320 A 92 ILE HD1% A 74 VAL HB 1.0 1.8 5.7 1321 1321 A 92 ILE HD1% A 74 VAL HGx% 1.0 1.8 5.7 1322 1322 A 92 ILE HD1% A 92 ILE HA 1.0 1.8 4.5 1323 1323 A 92 ILE HD1% A 92 ILE HB 1.0 1.8 4.5 1324 1324 A 92 ILE HD1% A 92 ILE HG12 1.0 1.8 4.5 1325 1325 A 92 ILE HD1% A 92 ILE HG2% 1.0 1.8 4.5 1326 1326 A 92 ILE HD1% A 99 VAL HB 1.0 1.8 5.7 1327 1327 A 92 ILE HD1% A 92 ILE HG12 1.0 1.8 5.7 1328 1328 A 25 LEU HDx% A 92 ILE HG2% 1.0 1.8 5.7 1329 1329 A 72 ILE HA A 92 ILE HG2% 1.0 1.8 4.5 1330 1330 A 92 ILE HG2% A 74 VAL HA 1.0 1.8 5.7 1331 1331 A 74 VAL HGx% A 92 ILE HG2% 1.0 1.8 5.7 1332 1332 A 92 ILE HG2% A 92 ILE HA 1.0 1.8 4.5 1333 1333 A 92 ILE HD1% A 92 ILE HG2% 1.0 1.8 5.7 1334 1334 A 92 ILE HG2% A 92 ILE HG12 1.0 1.8 3.7 1335 1335 A 100 ASN HD2x A 92 ILE H 1.0 1.8 3.7 1336 1336 A 36 LEU HDy% A 92 ILE H 1.0 1.8 3.7 1337 1337 A 91 TYR HA A 92 ILE H 1.0 1.8 3.7 1338 1338 A 91 TYR HBy A 92 ILE H 1.0 1.8 3.7 1339 1339 A 92 ILE HA A 92 ILE H 1.0 1.8 4.5 1340 1340 A 92 ILE HB A 92 ILE H 1.0 1.8 2.8 1341 1341 A 92 ILE HD1% A 92 ILE H 1.0 1.8 5.7 1342 1342 A 92 ILE HG13 A 92 ILE H 1.0 1.8 3.7 1343 1343 A 92 ILE HG2% A 93 TYR HA 1.0 1.8 5.7 1344 1344 A 93 TYR HA A 93 TYR HBy 1.0 1.8 4.5 1345 1345 A 93 TYR HBx A 93 TYR HA 1.0 1.8 4.5 1346 1346 A 93 TYR HD2 A 93 TYR HA 1.0 1.8 4.5 1347 1347 A 94 ALA HB% A 93 TYR HA 1.0 1.8 5.7 1348 1348 A 93 TYR HA A 98 MET HA 1.0 1.8 4.5 1349 1349 A 93 TYR HBx A 93 TYR HA 1.0 1.8 4.5 1350 1350 A 93 TYR HBx A 93 TYR HD2 1.0 1.8 4.5 1351 1351 A 93 TYR HD2 A 91 TYR HBx 1.0 1.8 3.7 1352 1352 A 92 ILE HG2% A 93 TYR HD2 1.0 1.8 4.5 1353 1353 A 93 TYR HD2 A 93 TYR HA 1.0 1.8 4.5 1354 1354 A 93 TYR HD2 A 93 TYR HBy 1.0 1.8 3.7 1355 1355 A 93 TYR HD2 A 98 MET HA 1.0 1.8 4.5 1356 1356 A 93 TYR HD2 A 98 MET HBy 1.0 1.8 3.7 1357 1357 A 93 TYR HD2 A 98 MET HG2 1.0 1.8 4.5 1358 1358 A 93 TYR HD2 A 99 VAL HGy% 1.0 1.8 4.5 1359 1359 A 93 TYR HE1 A 73 GLU HBy 1.0 1.8 4.5 1360 1360 A 93 TYR HE2 A 75 GLU HBy 1.0 1.8 3.7 1361 1361 A 91 TYR HA A 93 TYR HE2 1.0 1.8 4.5 1362 1362 A 93 TYR HE2 A 91 TYR HBy 1.0 1.8 3.7 1363 1363 A 92 ILE HA A 93 TYR HE2 1.0 1.8 4.5 1364 1364 A 93 TYR HE2 A 93 TYR HD2 1.0 1.8 3.7 1365 1365 A 72 ILE HA A 93 TYR H 1.0 1.8 4.5 1366 1366 A 73 GLU HG3 A 93 TYR H 1.0 1.8 4.5 1367 1367 A 73 GLU H A 93 TYR H 1.0 1.8 3.7 1368 1368 A 92 ILE HA A 93 TYR H 1.0 1.8 2.8 1369 1369 A 93 TYR H A 92 ILE HB 1.0 1.8 4.5 1370 1370 A 92 ILE HG2% A 93 TYR H 1.0 1.8 4.5 1371 1371 A 93 TYR HBx A 93 TYR H 1.0 1.8 4.5 1372 1372 A 93 TYR H A 93 TYR HE2 1.0 1.8 4.5 1373 1373 A 66 VAL HGx% A 94 ALA HA 1.0 1.8 5.7 1374 1374 A 69 ALA HB% A 94 ALA HA 1.0 1.8 5.7 1375 1375 A 72 ILE HA A 94 ALA HA 1.0 1.8 4.5 1376 1376 A 94 ALA HA A 92 ILE HG2% 1.0 1.8 5.7 1377 1377 A 94 ALA HB% A 94 ALA HA 1.0 1.8 4.5 1378 1378 A 94 ALA HB% A 72 ILE HA 1.0 1.8 5.7 1379 1379 A 94 ALA HB% A 94 ALA HA 1.0 1.8 4.5 1380 1380 A 69 ALA HB% A 94 ALA H 1.0 1.8 5.7 1381 1381 A 93 TYR HA A 94 ALA H 1.0 1.8 2.8 1382 1382 A 93 TYR HBy A 94 ALA H 1.0 1.8 4.5 1383 1383 A 93 TYR HBx A 94 ALA H 1.0 1.8 4.5 1384 1384 A 94 ALA HB% A 94 ALA H 1.0 1.8 3.7 1385 1385 A 95 ASP H A 94 ALA H 1.0 1.8 4.5 1386 1386 A 94 ALA H A 97 LYS HBy 1.0 1.8 4.5 1387 1387 A 94 ALA H A 97 LYS HBx 1.0 1.8 4.5 1388 1388 A 94 ALA H A 97 LYS H 1.0 1.8 3.7 1389 1389 A 98 MET HA A 94 ALA H 1.0 1.8 3.7 1390 1390 A 94 ALA H A 99 VAL H 1.0 1.8 4.5 1391 1391 A 95 ASP HA A 95 ASP HBy 1.0 1.8 4.5 1392 1392 A 95 ASP HA A 95 ASP HBx 1.0 1.8 3.7 1393 1393 A 95 ASP HA A 95 ASP HBy 1.0 1.8 4.5 1394 1394 A 95 ASP HA A 95 ASP HBx 1.0 1.8 4.5 1395 1395 A 69 ALA HB% A 95 ASP H 1.0 1.8 4.5 1396 1396 A 71 LYS HBy A 95 ASP H 1.0 1.8 4.5 1397 1397 A 71 LYS HBx A 95 ASP H 1.0 1.8 5.0 1398 1398 A 71 LYS H A 95 ASP H 1.0 1.8 4.5 1399 1399 A 72 ILE HA A 95 ASP H 1.0 1.8 4.5 1400 1400 A 95 ASP H A 72 ILE HD1% 1.0 1.8 4.5 1401 1401 A 72 ILE HG2% A 95 ASP H 1.0 1.8 5.7 1402 1402 A 94 ALA HA A 95 ASP H 1.0 1.8 2.8 1403 1403 A 94 ALA HB% A 95 ASP H 1.0 1.8 4.5 1404 1404 A 95 ASP HA A 95 ASP H 1.0 1.8 2.8 1405 1405 A 95 ASP H A 95 ASP HBy 1.0 1.8 4.5 1406 1406 A 95 ASP H A 95 ASP HBx 1.0 1.8 4.5 1407 1407 A 95 ASP H A 96 GLY H 1.0 1.8 3.7 1408 1408 A 93 TYR HBx A 96 GLY H 1.0 1.8 4.5 1409 1409 A 94 ALA HA A 96 GLY H 1.0 1.8 4.5 1410 1410 A 95 ASP HA A 96 GLY H 1.0 1.8 3.7 1411 1411 A 95 ASP HBx A 96 GLY H 1.0 1.8 4.5 1412 1412 A 95 ASP H A 96 GLY H 1.0 1.8 3.7 1413 1413 A 96 GLY H A 96 GLY HAy 1.0 1.8 3.7 1414 1414 A 96 GLY H A 96 GLY HAx 1.0 1.8 3.7 1415 1415 A 97 LYS HBy A 96 GLY H 1.0 1.8 5.7 1416 1416 A 97 LYS HBx A 96 GLY H 1.0 1.8 4.5 1417 1417 A 97 LYS H A 96 GLY H 1.0 1.8 3.7 1418 1418 A 97 LYS HA A 93 TYR HD1 1.0 1.8 5.7 1419 1419 A 96 GLY HAy A 97 LYS HA 1.0 1.8 4.5 1420 1420 A 97 LYS HBy A 97 LYS HA 1.0 1.8 3.7 1421 1421 A 97 LYS HBx A 97 LYS HA 1.0 1.8 3.7 1422 1422 A 97 LYS HA A 97 LYS HG3 1.0 1.8 3.7 1423 1423 A 97 LYS HA A 97 LYS HG2 1.0 1.8 3.7 1424 1424 A 97 LYS HBy A 97 LYS HA 1.0 1.8 3.7 1425 1425 A 97 LYS HBx A 97 LYS HA 1.0 1.8 4.5 1426 1426 A 97 LYS HG2 A 97 LYS HE3 1.0 1.8 3.7 1427 1427 A 97 LYS HE2 A 97 LYS HD3 1.0 1.8 4.5 1428 1428 A 97 LYS HA A 97 LYS HG2 1.0 1.8 4.5 1429 1429 A 93 TYR HBx A 97 LYS H 1.0 1.8 4.5 1430 1430 A 94 ALA HB% A 97 LYS H 1.0 1.8 5.7 1431 1431 A 97 LYS H A 96 GLY HAy 1.0 1.8 3.7 1432 1432 A 97 LYS H A 96 GLY HAx 1.0 1.8 3.7 1433 1433 A 97 LYS H A 96 GLY H 1.0 1.8 3.7 1434 1434 A 97 LYS H A 97 LYS HA 1.0 1.8 3.7 1435 1435 A 97 LYS HBy A 97 LYS H 1.0 1.8 3.7 1436 1436 A 97 LYS HBx A 97 LYS H 1.0 1.8 3.7 1437 1437 A 97 LYS H A 97 LYS HE3 1.0 1.8 4.5 1438 1438 A 97 LYS H A 97 LYS HG3 1.0 1.8 3.7 1439 1439 A 93 TYR HA A 98 MET HA 1.0 1.8 4.5 1440 1440 A 98 MET HA A 98 MET HBy 1.0 1.8 3.7 1441 1441 A 98 MET HBy A 124 LEU HDy% 1.0 1.8 4.5 1442 1442 A 91 TYR HBx A 98 MET HBy 1.0 1.8 3.7 1443 1443 A 93 TYR HE1 A 98 MET H 1.0 1.8 4.5 1444 1444 A 97 LYS HA A 98 MET H 1.0 1.8 2.8 1445 1445 A 97 LYS HBy A 98 MET H 1.0 1.8 3.7 1446 1446 A 97 LYS HG2 A 98 MET H 1.0 1.8 3.7 1447 1447 A 97 LYS H A 98 MET H 1.0 1.8 4.5 1448 1448 A 98 MET HA A 98 MET H 1.0 1.8 3.7 1449 1449 A 98 MET H A 98 MET HBx 1.0 1.8 3.7 1450 1450 A 98 MET H A 98 MET HG3 1.0 1.8 3.7 1451 1451 A 102 ALA HB% A 99 VAL HA 1.0 1.8 4.5 1452 1452 A 99 VAL HA A 99 VAL HGx% 1.0 1.8 4.5 1453 1453 A 99 VAL HGy% A 99 VAL HA 1.0 1.8 5.7 1454 1454 A 99 VAL HB A 92 ILE HG2% 1.0 1.8 4.5 1455 1455 A 99 VAL HB A 99 VAL HGx% 1.0 1.8 3.7 1456 1456 A 99 VAL H A 100 ASN H 1.0 1.8 4.5 1457 1457 A 92 ILE HB A 99 VAL H 1.0 1.8 4.5 1458 1458 A 92 ILE HG2% A 99 VAL H 1.0 1.8 5.7 1459 1459 A 93 TYR HA A 99 VAL H 1.0 1.8 4.5 1460 1460 A 93 TYR HD2 A 99 VAL H 1.0 1.8 4.5 1461 1461 A 94 ALA H A 99 VAL H 1.0 1.8 4.5 1462 1462 A 98 MET HA A 99 VAL H 1.0 1.8 3.7 1463 1463 A 98 MET HBy A 99 VAL H 1.0 1.8 3.7 1464 1464 A 99 VAL HB A 99 VAL H 1.0 1.8 3.7 1465 1465 A 99 VAL H A 99 VAL HGx% 1.0 1.8 4.5 1466 1466 A 100 ASN HA A 100 ASN HBy 1.0 1.8 4.5 1467 1467 A 100 ASN HA A 100 ASN HBx 1.0 1.8 4.5 1468 1468 A 100 ASN HA A 39 VAL HGy% 1.0 1.8 4.5 1469 1469 A 100 ASN HA A 100 ASN HBy 1.0 1.8 5.7 1470 1470 A 125 LEU HDy% A 100 ASN HBy 1.0 1.8 5.7 1471 1471 A 36 LEU HDy% A 100 ASN HBy 1.0 1.8 5.7 1472 1472 A 36 LEU HA A 100 ASN HBy 1.0 1.8 4.5 1473 1473 A 100 ASN HA A 100 ASN HBx 1.0 1.8 5.7 1474 1474 A 125 LEU HDy% A 100 ASN HBx 1.0 1.8 5.7 1475 1475 A 36 LEU HDy% A 100 ASN HBx 1.0 1.8 5.7 1476 1476 A 100 ASN HA A 100 ASN H 1.0 1.8 3.7 1477 1477 A 100 ASN H A 100 ASN HBy 1.0 1.8 4.5 1478 1478 A 100 ASN HBx A 100 ASN H 1.0 1.8 3.7 1479 1479 A 100 ASN H A 101 GLU H 1.0 1.8 4.5 1480 1480 A 36 LEU HDy% A 100 ASN H 1.0 1.8 4.5 1481 1481 A 92 ILE H A 100 ASN H 1.0 1.8 4.5 1482 1482 A 99 VAL HA A 100 ASN H 1.0 1.8 3.7 1483 1483 A 99 VAL HB A 100 ASN H 1.0 1.8 3.7 1484 1484 A 99 VAL HGx% A 100 ASN H 1.0 1.8 4.5 1485 1485 A 99 VAL H A 100 ASN H 1.0 1.8 4.5 1486 1486 A 101 GLU HA A 101 GLU HBy 1.0 1.8 3.7 1487 1487 A 101 GLU HA A 101 GLU HBx 1.0 1.8 4.5 1488 1488 A 101 GLU HA A 104 VAL HB 1.0 1.8 4.5 1489 1489 A 101 GLU HA A 104 VAL HG2% 1.0 1.8 5.7 1490 1490 A 125 LEU HDx% A 101 GLU HA 1.0 1.8 5.7 1491 1491 A 100 ASN HA A 101 GLU H 1.0 1.8 4.5 1492 1492 A 100 ASN HBy A 101 GLU H 1.0 1.8 4.5 1493 1493 A 100 ASN HBx A 101 GLU H 1.0 1.8 4.5 1494 1494 A 100 ASN H A 101 GLU H 1.0 1.8 4.5 1495 1495 A 101 GLU H A 101 GLU HA 1.0 1.8 4.5 1496 1496 A 101 GLU H A 101 GLU HBy 1.0 1.8 3.7 1497 1497 A 101 GLU H A 101 GLU HBx 1.0 1.8 3.7 1498 1498 A 102 ALA HB% A 101 GLU H 1.0 1.8 5.7 1499 1499 A 101 GLU H A 102 ALA H 1.0 1.8 3.7 1500 1500 A 101 GLU H A 104 VAL HG2% 1.0 1.8 5.7 1501 1501 A 125 LEU HDx% A 101 GLU H 1.0 1.8 4.5 1502 1502 A 125 LEU HDy% A 101 GLU H 1.0 1.8 5.7 1503 1503 A 102 ALA HA A 105 ARG HBy 1.0 1.8 4.5 1504 1504 A 102 ALA HA A 105 ARG HBy 1.0 1.8 4.5 1505 1505 A 61 PHE HE2 A 102 ALA HA 1.0 1.8 4.5 1506 1506 A 103 LEU HD2% A 102 ALA HB% 1.0 1.8 5.7 1507 1507 A 101 GLU HBx A 102 ALA H 1.0 1.8 3.7 1508 1508 A 101 GLU H A 102 ALA H 1.0 1.8 3.7 1509 1509 A 102 ALA HB% A 102 ALA H 1.0 1.8 3.7 1510 1510 A 102 ALA H A 104 VAL H 1.0 1.8 4.5 1511 1511 A 61 PHE HE2 A 102 ALA H 1.0 1.8 4.5 1512 1512 A 99 VAL HA A 102 ALA H 1.0 1.8 3.7 1513 1513 A 103 LEU HA A 103 LEU HBy 1.0 1.8 4.5 1514 1514 A 103 LEU HA A 103 LEU HBx 1.0 1.8 4.5 1515 1515 A 103 LEU HD2% A 103 LEU HA 1.0 1.8 4.5 1516 1516 A 103 LEU HA A 103 LEU HG 1.0 1.8 4.5 1517 1517 A 103 LEU HA A 106 GLN H 1.0 1.8 5.7 1518 1518 A 108 LEU HDx% A 103 LEU HA 1.0 1.8 5.7 1519 1519 A 103 LEU HA A 103 LEU HBy 1.0 1.8 5.7 1520 1520 A 103 LEU HD2% A 103 LEU HBy 1.0 1.8 4.5 1521 1521 A 103 LEU HBy A 103 LEU HG 1.0 1.8 4.5 1522 1522 A 103 LEU HA A 103 LEU HBx 1.0 1.8 5.7 1523 1523 A 103 LEU HD2% A 103 LEU HBx 1.0 1.8 4.5 1524 1524 A 109 ALA HB% A 103 LEU HBx 1.0 1.8 4.5 1525 1525 A 109 ALA HB% A 103 LEU HBx 1.0 1.8 4.5 1526 1526 A 100 ASN HA A 103 LEU HD1% 1.0 1.8 5.7 1527 1527 A 103 LEU HD1% A 103 LEU HA 1.0 1.8 5.7 1528 1528 A 103 LEU HD1% A 103 LEU HD2% 1.0 1.8 3.7 1529 1529 A 103 LEU HD1% A 103 LEU HG 1.0 1.8 4.5 1530 1530 A 103 LEU HD2% A 103 LEU HA 1.0 1.8 4.5 1531 1531 A 103 LEU HD2% A 103 LEU HBy 1.0 1.8 3.7 1532 1532 A 103 LEU HD2% A 103 LEU HBy 1.0 1.8 3.7 1533 1533 A 108 LEU HDx% A 103 LEU HD2% 1.0 1.8 4.5 1534 1534 A 103 LEU HD2% A 61 PHE HE2 1.0 1.8 4.5 1535 1535 A 100 ASN HA A 103 LEU H 1.0 1.8 3.7 1536 1536 A 102 ALA H A 103 LEU H 1.0 1.8 3.7 1537 1537 A 103 LEU HA A 103 LEU H 1.0 1.8 3.7 1538 1538 A 103 LEU HBy A 103 LEU H 1.0 1.8 3.7 1539 1539 A 103 LEU HBx A 103 LEU H 1.0 1.8 2.8 1540 1540 A 103 LEU HD1% A 103 LEU H 1.0 1.8 3.7 1541 1541 A 103 LEU HG A 103 LEU H 1.0 1.8 3.7 1542 1542 A 104 VAL H A 103 LEU H 1.0 1.8 3.7 1543 1543 A 103 LEU H A 106 GLN HBx 1.0 1.8 4.5 1544 1544 A 106 GLN H A 103 LEU H 1.0 1.8 4.5 1545 1545 A 104 VAL HB A 104 VAL HA 1.0 1.8 4.5 1546 1546 A 104 VAL HA A 104 VAL HG1% 1.0 1.8 4.5 1547 1547 A 100 ASN HBy A 104 VAL HG1% 1.0 1.8 5.7 1548 1548 A 101 GLU HA A 104 VAL HG1% 1.0 1.8 5.7 1549 1549 A 104 VAL HA A 104 VAL HG1% 1.0 1.8 4.5 1550 1550 A 104 VAL HB A 104 VAL HG1% 1.0 1.8 4.5 1551 1551 A 104 VAL HG2% A 104 VAL HG1% 1.0 1.8 3.7 1552 1552 A 104 VAL HG1% A 110 LYS HA 1.0 1.8 5.7 1553 1553 A 104 VAL HG1% A 125 LEU HG 1.0 1.8 4.5 1554 1554 A 39 VAL HA A 104 VAL HG1% 1.0 1.8 5.7 1555 1555 A 104 VAL HB A 104 VAL HG2% 1.0 1.8 3.7 1556 1556 A 101 GLU HA A 104 VAL H 1.0 1.8 4.5 1557 1557 A 102 ALA HA A 104 VAL H 1.0 1.8 4.5 1558 1558 A 102 ALA H A 104 VAL H 1.0 1.8 5.7 1559 1559 A 103 LEU HA A 104 VAL H 1.0 1.8 4.5 1560 1560 A 104 VAL H A 103 LEU HBx 1.0 1.8 3.7 1561 1561 A 103 LEU HD1% A 104 VAL H 1.0 1.8 4.5 1562 1562 A 104 VAL H A 103 LEU H 1.0 1.8 3.7 1563 1563 A 104 VAL H A 104 VAL HA 1.0 1.8 3.7 1564 1564 A 104 VAL HB A 104 VAL H 1.0 1.8 3.7 1565 1565 A 104 VAL HG2% A 104 VAL H 1.0 1.8 3.7 1566 1566 A 104 VAL H A 105 ARG H 1.0 1.8 3.7 1567 1567 A 104 VAL HB A 105 ARG HBy 1.0 1.8 4.5 1568 1568 A 105 ARG HBy A 106 GLN HA 1.0 1.8 5.7 1569 1569 A 102 ALA HA A 105 ARG HE 1.0 1.8 4.5 1570 1570 A 106 GLN HA A 105 ARG HE 1.0 1.8 5.7 1571 1571 A 105 ARG HE A 106 GLN HBy 1.0 1.8 4.5 1572 1572 A 106 GLN HBx A 105 ARG HE 1.0 1.8 3.7 1573 1573 A 105 ARG HE A 106 GLN HGy 1.0 1.8 4.5 1574 1574 A 101 GLU HA A 105 ARG H 1.0 1.8 4.5 1575 1575 A 103 LEU H A 105 ARG H 1.0 1.8 4.5 1576 1576 A 104 VAL HA A 105 ARG H 1.0 1.8 4.5 1577 1577 A 104 VAL HG1% A 105 ARG H 1.0 1.8 4.5 1578 1578 A 104 VAL H A 105 ARG H 1.0 1.8 3.7 1579 1579 A 105 ARG H A 105 ARG HA 1.0 1.8 3.7 1580 1580 A 105 ARG H A 105 ARG HBx 1.0 1.8 3.7 1581 1581 A 106 GLN H A 105 ARG H 1.0 1.8 3.7 1582 1582 A 106 GLN HA A 106 GLN HBy 1.0 1.8 3.7 1583 1583 A 106 GLN HBx A 106 GLN HA 1.0 1.8 4.5 1584 1584 A 106 GLN HA A 106 GLN HGx 1.0 1.8 4.5 1585 1585 A 106 GLN HA A 137 LEU HDx% 1.0 1.8 4.5 1586 1586 A 103 LEU HA A 106 GLN HBy 1.0 1.8 4.5 1587 1587 A 106 GLN HA A 106 GLN HBy 1.0 1.8 4.5 1588 1588 A 106 GLN HBy A 106 GLN HGx 1.0 1.8 3.7 1589 1589 A 108 LEU HDx% A 106 GLN HBy 1.0 1.8 4.5 1590 1590 A 106 GLN HBx A 106 GLN HA 1.0 1.8 3.7 1591 1591 A 108 LEU HDx% A 106 GLN HBx 1.0 1.8 5.7 1592 1592 A 106 GLN HBy A 106 GLN HE2x 1.0 1.8 4.5 1593 1593 A 106 GLN HBx A 106 GLN HE2x 1.0 1.8 3.7 1594 1594 A 106 GLN HGy A 106 GLN HE2x 1.0 1.8 3.7 1595 1595 A 106 GLN HA A 106 GLN HE2y 1.0 1.8 4.5 1596 1596 A 106 GLN HGy A 106 GLN HE2y 1.0 1.8 3.7 1597 1597 A 106 GLN HA A 106 GLN HGy 1.0 1.8 3.7 1598 1598 A 106 GLN HBy A 106 GLN HGy 1.0 1.8 3.7 1599 1599 A 108 LEU HDy% A 106 GLN HGx 1.0 1.8 4.5 1600 1600 A 106 GLN HGx A 61 PHE HE1 1.0 1.8 4.5 1601 1601 A 106 GLN H A 105 ARG HA 1.0 1.8 4.5 1602 1602 A 103 LEU HBx A 106 GLN H 1.0 1.8 5.7 1603 1603 A 106 GLN H A 105 ARG H 1.0 1.8 3.7 1604 1604 A 106 GLN H A 106 GLN HA 1.0 1.8 3.7 1605 1605 A 106 GLN H A 106 GLN HBy 1.0 1.8 3.7 1606 1606 A 106 GLN H A 106 GLN HBx 1.0 1.8 3.7 1607 1607 A 106 GLN H A 106 GLN HGy 1.0 1.8 4.0 1608 1608 A 106 GLN H A 107 GLY H 1.0 1.8 3.7 1609 1609 A 107 GLY HAy A 109 ALA H 1.0 1.8 5.7 1610 1610 A 107 GLY HAy A 132 ALA HB% 1.0 1.8 5.7 1611 1611 A 109 ALA H A 107 GLY HAx 1.0 1.8 5.7 1612 1612 A 132 ALA HB% A 107 GLY HAx 1.0 1.8 5.7 1613 1613 A 104 VAL HG1% A 107 GLY H 1.0 1.8 5.7 1614 1614 A 106 GLN HBy A 107 GLY H 1.0 1.8 3.7 1615 1615 A 106 GLN HBx A 107 GLY H 1.0 1.8 4.5 1616 1616 A 106 GLN H A 107 GLY H 1.0 1.8 3.7 1617 1617 A 107 GLY H A 107 GLY HAy 1.0 1.8 3.7 1618 1618 A 107 GLY H A 107 GLY HAx 1.0 1.8 3.7 1619 1619 A 107 GLY H A 108 LEU H 1.0 1.8 3.7 1620 1620 A 107 GLY H A 132 ALA HB% 1.0 1.8 4.5 1621 1621 A 137 LEU HDx% A 107 GLY H 1.0 1.8 5.7 1622 1622 A 108 LEU HA A 108 LEU HBy 1.0 1.8 3.7 1623 1623 A 108 LEU HA A 108 LEU HBx 1.0 1.8 3.7 1624 1624 A 108 LEU HDx% A 108 LEU HA 1.0 1.8 5.7 1625 1625 A 108 LEU HDy% A 108 LEU HA 1.0 1.8 4.5 1626 1626 A 108 LEU HA A 108 LEU HG 1.0 1.8 3.7 1627 1627 A 108 LEU HA A 108 LEU HG 1.0 1.8 3.7 1628 1628 A 58 ALA HB% A 108 LEU HA 1.0 1.8 5.7 1629 1629 A 103 LEU HD2% A 108 LEU HBy 1.0 1.8 4.5 1630 1630 A 108 LEU HDx% A 108 LEU HBy 1.0 1.8 5.7 1631 1631 A 58 ALA HB% A 108 LEU HBy 1.0 1.8 5.7 1632 1632 A 103 LEU HD2% A 108 LEU HBx 1.0 1.8 4.5 1633 1633 A 108 LEU HA A 108 LEU HBx 1.0 1.8 4.5 1634 1634 A 108 LEU HDx% A 108 LEU HBx 1.0 1.8 5.7 1635 1635 A 108 LEU HBx A 108 LEU HG 1.0 1.8 4.5 1636 1636 A 58 ALA HB% A 108 LEU HBx 1.0 1.8 4.5 1637 1637 A 108 LEU HDx% A 103 LEU HA 1.0 1.8 5.7 1638 1638 A 108 LEU HDx% A 106 GLN HBx 1.0 1.8 5.7 1639 1639 A 108 LEU HDx% A 108 LEU HA 1.0 1.8 5.7 1640 1640 A 108 LEU HDx% A 108 LEU HBy 1.0 1.8 4.5 1641 1641 A 108 LEU HDx% A 108 LEU HBx 1.0 1.8 4.5 1642 1642 A 108 LEU HDx% A 108 LEU HDy% 1.0 1.8 4.5 1643 1643 A 108 LEU HDx% A 108 LEU HG 1.0 1.8 4.5 1644 1644 A 58 ALA HA A 108 LEU HDx% 1.0 1.8 5.7 1645 1645 A 58 ALA HB% A 108 LEU HDx% 1.0 1.8 5.7 1646 1646 A 108 LEU HDx% A 61 PHE HBy 1.0 1.8 5.7 1647 1647 A 108 LEU HDy% A 103 LEU HA 1.0 1.8 4.5 1648 1648 A 108 LEU HDy% A 106 GLN HBy 1.0 1.8 4.5 1649 1649 A 108 LEU HDy% A 106 GLN HBx 1.0 1.8 4.5 1650 1650 A 108 LEU HDy% A 108 LEU HA 1.0 1.8 4.5 1651 1651 A 108 LEU HDx% A 108 LEU HDy% 1.0 1.8 4.5 1652 1652 A 108 LEU HDy% A 108 LEU HG 1.0 1.8 3.7 1653 1653 A 108 LEU HDy% A 139 ILE HG2% 1.0 1.8 4.5 1654 1654 A 58 ALA HA A 108 LEU HDy% 1.0 1.8 5.7 1655 1655 A 58 ALA HB% A 108 LEU HDy% 1.0 1.8 5.7 1656 1656 A 108 LEU HDy% A 61 PHE HBy 1.0 1.8 4.5 1657 1657 A 107 GLY H A 108 LEU H 1.0 1.8 3.7 1658 1658 A 108 LEU H A 108 LEU HA 1.0 1.8 3.7 1659 1659 A 108 LEU H A 108 LEU HBy 1.0 1.8 3.7 1660 1660 A 108 LEU H A 108 LEU HBx 1.0 1.8 3.7 1661 1661 A 108 LEU HDx% A 108 LEU H 1.0 1.8 4.5 1662 1662 A 108 LEU HDy% A 108 LEU H 1.0 1.8 4.5 1663 1663 A 108 LEU H A 108 LEU HG 1.0 1.8 4.5 1664 1664 A 109 ALA H A 108 LEU H 1.0 1.8 3.7 1665 1665 A 109 ALA HA A 109 ALA HB% 1.0 1.8 4.5 1666 1666 A 109 ALA HA A 41 THR HA 1.0 1.8 4.5 1667 1667 A 109 ALA HA A 109 ALA HB% 1.0 1.8 4.5 1668 1668 A 104 VAL HA A 109 ALA H 1.0 1.8 3.7 1669 1669 A 109 ALA H A 108 LEU HA 1.0 1.8 4.5 1670 1670 A 109 ALA H A 108 LEU HBx 1.0 1.8 4.5 1671 1671 A 108 LEU HDx% A 109 ALA H 1.0 1.8 5.7 1672 1672 A 108 LEU HDy% A 109 ALA H 1.0 1.8 5.7 1673 1673 A 109 ALA H A 108 LEU H 1.0 1.8 2.8 1674 1674 A 109 ALA HA A 109 ALA H 1.0 1.8 4.5 1675 1675 A 109 ALA HB% A 109 ALA H 1.0 1.8 4.5 1676 1676 A 104 VAL HA A 110 LYS HA 1.0 1.8 3.7 1677 1677 A 110 LYS HA A 110 LYS HBy 1.0 1.8 3.7 1678 1678 A 40 ASP HBx A 110 LYS HA 1.0 1.8 4.5 1679 1679 A 109 ALA HA A 110 LYS H 1.0 1.8 3.7 1680 1680 A 111 VAL HA A 111 VAL HB 1.0 1.8 4.5 1681 1681 A 111 VAL HA A 111 VAL HGy% 1.0 1.8 4.5 1682 1682 A 111 VAL HA A 114 VAL HGx% 1.0 1.8 5.7 1683 1683 A 111 VAL HA A 129 GLU HB2 1.0 1.8 4.5 1684 1684 A 39 VAL HA A 111 VAL HA 1.0 1.8 4.5 1685 1685 A 111 VAL HA A 40 ASP HBx 1.0 1.8 4.5 1686 1686 A 111 VAL HB A 111 VAL HGy% 1.0 1.8 3.7 1687 1687 A 111 VAL HGx% A 114 VAL HB 1.0 1.8 3.7 1688 1688 A 111 VAL HGx% A 129 GLU HB2 1.0 1.8 3.7 1689 1689 A 110 LYS HA A 111 VAL H 1.0 1.8 3.7 1690 1690 A 110 LYS H A 111 VAL H 1.0 1.8 4.5 1691 1691 A 111 VAL HA A 111 VAL H 1.0 1.8 4.5 1692 1692 A 111 VAL HB A 111 VAL H 1.0 1.8 3.7 1693 1693 A 111 VAL HGx% A 111 VAL H 1.0 1.8 3.7 1694 1694 A 112 ALA HB% A 112 ALA HA 1.0 1.8 4.5 1695 1695 A 112 ALA HB% A 112 ALA HA 1.0 1.8 3.7 1696 1696 A 40 ASP HBx A 112 ALA HB% 1.0 1.8 4.5 1697 1697 A 111 VAL HA A 112 ALA H 1.0 1.8 2.8 1698 1698 A 112 ALA H A 111 VAL H 1.0 1.8 4.5 1699 1699 A 112 ALA H A 112 ALA HA 1.0 1.8 3.7 1700 1700 A 112 ALA H A 112 ALA HB% 1.0 1.8 3.7 1701 1701 A 38 LEU HBx A 112 ALA H 1.0 1.8 4.5 1702 1702 A 39 VAL HA A 112 ALA H 1.0 1.8 3.7 1703 1703 A 39 VAL H A 112 ALA H 1.0 1.8 5.7 1704 1704 A 112 ALA H A 40 ASP H 1.0 1.8 4.5 1705 1705 A 112 ALA HB% A 113 TYR HA 1.0 1.8 5.7 1706 1706 A 113 TYR HA A 113 TYR HBy 1.0 1.8 4.5 1707 1707 A 113 TYR HA A 113 TYR HBx 1.0 1.8 4.5 1708 1708 A 114 VAL HGx% A 113 TYR HA 1.0 1.8 4.5 1709 1709 A 113 TYR HA A 113 TYR HBy 1.0 1.8 4.5 1710 1710 A 113 TYR HBy A 115 TYR HE1 1.0 1.8 5.0 1711 1711 A 113 TYR HA A 113 TYR HBx 1.0 1.8 4.5 1712 1712 A 112 ALA HA A 113 TYR HD2 1.0 1.8 4.5 1713 1713 A 112 ALA HB% A 113 TYR HD2 1.0 1.8 4.5 1714 1714 A 113 TYR HBy A 113 TYR HD2 1.0 1.8 3.7 1715 1715 A 113 TYR HD2 A 113 TYR HE2 1.0 1.8 2.8 1716 1716 A 113 TYR HE1 A 113 TYR HD1 1.0 1.8 2.8 1717 1717 A 112 ALA HA A 113 TYR H 1.0 1.8 2.8 1718 1718 A 112 ALA HB% A 113 TYR H 1.0 1.8 3.7 1719 1719 A 113 TYR HA A 113 TYR H 1.0 1.8 3.7 1720 1720 A 113 TYR HBy A 113 TYR H 1.0 1.8 4.5 1721 1721 A 113 TYR HBx A 113 TYR H 1.0 1.8 3.7 1722 1722 A 114 VAL HGx% A 113 TYR H 1.0 1.8 4.5 1723 1723 A 113 TYR H A 114 VAL H 1.0 1.8 3.7 1724 1724 A 114 VAL HA A 114 VAL HB 1.0 1.8 4.5 1725 1725 A 114 VAL HA A 114 VAL HGx% 1.0 1.8 4.5 1726 1726 A 114 VAL HGy% A 114 VAL HB 1.0 1.8 4.5 1727 1727 A 112 ALA HB% A 114 VAL H 1.0 1.8 5.7 1728 1728 A 113 TYR HA A 114 VAL H 1.0 1.8 2.8 1729 1729 A 113 TYR HBy A 114 VAL H 1.0 1.8 4.5 1730 1730 A 113 TYR H A 114 VAL H 1.0 1.8 3.7 1731 1731 A 114 VAL HA A 114 VAL H 1.0 1.8 3.7 1732 1732 A 114 VAL HB A 114 VAL H 1.0 1.8 3.7 1733 1733 A 114 VAL HGx% A 114 VAL H 1.0 1.8 3.7 1734 1734 A 38 LEU HA A 114 VAL H 1.0 1.8 5.7 1735 1735 A 115 TYR HA A 115 TYR HBx 1.0 1.8 4.5 1736 1736 A 115 TYR HA A 115 TYR HD2 1.0 1.8 4.5 1737 1737 A 115 TYR HD1 A 115 TYR HBy 1.0 1.8 3.7 1738 1738 A 115 TYR HA A 115 TYR HD2 1.0 1.8 4.5 1739 1739 A 115 TYR HBx A 115 TYR HD2 1.0 1.8 3.7 1740 1740 A 115 TYR HD2 A 115 TYR HE2 1.0 1.8 2.8 1741 1741 A 115 TYR HD2 A 116 LYS HD2 1.0 1.8 5.0 1742 1742 A 114 VAL HA A 115 TYR H 1.0 1.8 2.8 1743 1743 A 114 VAL HB A 115 TYR H 1.0 1.8 4.5 1744 1744 A 114 VAL HGy% A 115 TYR H 1.0 1.8 4.5 1745 1745 A 114 VAL H A 115 TYR H 1.0 1.8 4.5 1746 1746 A 115 TYR HA A 115 TYR H 1.0 1.8 3.7 1747 1747 A 115 TYR HBx A 115 TYR H 1.0 1.8 3.7 1748 1748 A 115 TYR HD1 A 115 TYR H 1.0 1.8 4.5 1749 1749 A 116 LYS HA A 116 LYS HB2 1.0 1.8 3.7 1750 1750 A 116 LYS HA A 116 LYS HGx 1.0 1.8 4.5 1751 1751 A 116 LYS HA A 117 PRO HA 1.0 1.8 3.7 1752 1752 A 116 LYS HGx A 116 LYS HB3 1.0 1.8 3.7 1753 1753 A 116 LYS HD3 A 116 LYS HE3 1.0 1.8 4.5 1754 1754 A 115 TYR HA A 116 LYS HD2 1.0 1.8 5.7 1755 1755 A 114 VAL HGy% A 116 LYS H 1.0 1.8 5.0 1756 1756 A 115 TYR HA A 116 LYS H 1.0 1.8 4.0 1757 1757 A 115 TYR HBy A 116 LYS H 1.0 1.8 4.5 1758 1758 A 115 TYR HD2 A 116 LYS H 1.0 1.8 4.5 1759 1759 A 116 LYS HA A 116 LYS H 1.0 1.8 3.7 1760 1760 A 116 LYS HB2 A 116 LYS H 1.0 1.8 3.7 1761 1761 A 116 LYS HGx A 116 LYS H 1.0 1.8 4.5 1762 1762 A 116 LYS H A 116 LYS HGy 1.0 1.8 3.7 1763 1763 A 117 PRO HA A 117 PRO HBx 1.0 1.8 3.7 1764 1764 A 117 PRO HA A 117 PRO HBy 1.0 1.8 4.5 1765 1765 A 118 ASN HA A 118 ASN HBy 1.0 1.8 4.5 1766 1766 A 118 ASN HA A 118 ASN HBy 1.0 1.8 4.5 1767 1767 A 37 LEU HDx% A 118 ASN HBy 1.0 1.8 5.7 1768 1768 A 37 LEU HDy% A 118 ASN HBy 1.0 1.8 5.7 1769 1769 A 116 LYS HGy A 118 ASN HD2x 1.0 1.8 5.0 1770 1770 A 116 LYS HA A 118 ASN H 1.0 1.8 4.5 1771 1771 A 116 LYS HB3 A 118 ASN H 1.0 1.8 5.0 1772 1772 A 117 PRO HA A 118 ASN H 1.0 1.8 3.7 1773 1773 A 117 PRO HBx A 118 ASN H 1.0 1.8 4.5 1774 1774 A 118 ASN HA A 118 ASN H 1.0 1.8 3.7 1775 1775 A 118 ASN H A 118 ASN HBx 1.0 1.8 3.7 1776 1776 A 118 ASN HD2y A 118 ASN H 1.0 1.8 4.5 1777 1777 A 114 VAL HGy% A 119 ASN HA 1.0 1.8 5.7 1778 1778 A 119 ASN HA A 119 ASN HBy 1.0 1.8 3.7 1779 1779 A 119 ASN HA A 119 ASN HBx 1.0 1.8 4.5 1780 1780 A 38 LEU HD2% A 119 ASN HA 1.0 1.8 5.7 1781 1781 A 114 VAL HGy% A 119 ASN HBy 1.0 1.8 5.7 1782 1782 A 119 ASN HA A 119 ASN HBy 1.0 1.8 4.5 1783 1783 A 114 VAL HGy% A 119 ASN HBx 1.0 1.8 5.7 1784 1784 A 119 ASN HA A 119 ASN HBx 1.0 1.8 4.5 1785 1785 A 114 VAL HGy% A 119 ASN HD2y 1.0 1.8 5.7 1786 1786 A 116 LYS HD3 A 119 ASN HD2y 1.0 1.8 4.5 1787 1787 A 116 LYS HD2 A 119 ASN HD2y 1.0 1.8 4.5 1788 1788 A 116 LYS HGx A 119 ASN HD2y 1.0 1.8 5.7 1789 1789 A 119 ASN HA A 119 ASN HD2y 1.0 1.8 4.5 1790 1790 A 119 ASN HBy A 119 ASN HD2y 1.0 1.8 3.7 1791 1791 A 119 ASN HBx A 119 ASN HD2y 1.0 1.8 4.5 1792 1792 A 118 ASN HA A 119 ASN H 1.0 1.8 2.8 1793 1793 A 118 ASN HBy A 119 ASN H 1.0 1.8 3.7 1794 1794 A 118 ASN H A 119 ASN H 1.0 1.8 4.5 1795 1795 A 119 ASN HA A 119 ASN H 1.0 1.8 3.7 1796 1796 A 119 ASN HBx A 119 ASN H 1.0 1.8 4.5 1797 1797 A 119 ASN HD2y A 119 ASN H 1.0 1.8 4.5 1798 1798 A 119 ASN H A 119 ASN HD2x 1.0 1.8 4.5 1799 1799 A 119 ASN H A 120 THR HA 1.0 1.8 5.0 1800 1800 A 119 ASN H A 120 THR H 1.0 1.8 3.7 1801 1801 A 118 ASN HA A 120 THR H 1.0 1.8 4.5 1802 1802 A 119 ASN H A 120 THR H 1.0 1.8 3.7 1803 1803 A 120 THR HA A 120 THR H 1.0 1.8 3.7 1804 1804 A 120 THR H A 121 HIS H 1.0 1.8 4.5 1805 1805 A 120 THR H A 78 LYS HGy 1.0 1.8 4.5 1806 1806 A 78 LYS HGx A 120 THR H 1.0 1.8 4.5 1807 1807 A 91 TYR HE2 A 120 THR H 1.0 1.8 4.5 1808 1808 A 121 HIS HBy A 121 HIS HA 1.0 1.8 4.5 1809 1809 A 121 HIS HBx A 121 HIS HA 1.0 1.8 4.5 1810 1810 A 121 HIS HA A 124 LEU HBy 1.0 1.8 4.5 1811 1811 A 124 LEU HDy% A 121 HIS HA 1.0 1.8 5.7 1812 1812 A 125 LEU HDx% A 121 HIS HA 1.0 1.8 5.7 1813 1813 A 121 HIS HBy A 121 HIS HA 1.0 1.8 4.5 1814 1814 A 121 HIS HBx A 120 THR HG1 1.0 1.8 5.7 1815 1815 A 121 HIS HBx A 121 HIS HA 1.0 1.8 4.5 1816 1816 A 121 HIS HBx A 124 LEU HDy% 1.0 1.8 5.7 1817 1817 A 121 HIS HBx A 125 LEU HG 1.0 1.8 5.7 1818 1818 A 119 ASN HA A 121 HIS H 1.0 1.8 3.7 1819 1819 A 121 HIS H A 120 THR HB 1.0 1.8 3.7 1820 1820 A 120 THR HG1 A 121 HIS H 1.0 1.8 3.7 1821 1821 A 120 THR H A 121 HIS H 1.0 1.8 3.7 1822 1822 A 121 HIS HBx A 121 HIS H 1.0 1.8 3.7 1823 1823 A 121 HIS H A 122 GLU H 1.0 1.8 2.8 1824 1824 A 38 LEU HD2% A 121 HIS H 1.0 1.8 4.5 1825 1825 A 91 TYR HE1 A 121 HIS H 1.0 1.8 4.5 1826 1826 A 122 GLU HA A 122 GLU HBy 1.0 1.8 3.7 1827 1827 A 122 GLU HA A 122 GLU HBx 1.0 1.8 3.7 1828 1828 A 122 GLU HA A 125 LEU HDx% 1.0 1.8 4.5 1829 1829 A 38 LEU HD1% A 122 GLU HA 1.0 1.8 4.5 1830 1830 A 119 ASN HA A 122 GLU HBx 1.0 1.8 4.5 1831 1831 A 125 LEU HDx% A 122 GLU HBx 1.0 1.8 5.7 1832 1832 A 119 ASN HA A 122 GLU H 1.0 1.8 4.5 1833 1833 A 119 ASN HBx A 122 GLU H 1.0 1.8 4.5 1834 1834 A 121 HIS HA A 122 GLU H 1.0 1.8 3.7 1835 1835 A 121 HIS H A 122 GLU H 1.0 1.8 3.7 1836 1836 A 122 GLU HA A 122 GLU H 1.0 1.8 3.7 1837 1837 A 122 GLU H A 122 GLU HBy 1.0 1.8 2.8 1838 1838 A 122 GLU H A 122 GLU HBx 1.0 1.8 2.8 1839 1839 A 122 GLU H A 123 GLN H 1.0 1.8 3.7 1840 1840 A 125 LEU HDx% A 122 GLU H 1.0 1.8 4.5 1841 1841 A 38 LEU HD1% A 122 GLU H 1.0 1.8 4.5 1842 1842 A 123 GLN HA A 123 GLN HBx 1.0 1.8 3.7 1843 1843 A 123 GLN HA A 123 GLN HBy 1.0 1.8 3.7 1844 1844 A 123 GLN HA A 123 GLN HG2 1.0 1.8 4.5 1845 1845 A 123 GLN HA A 126 ARG HBx 1.0 1.8 3.7 1846 1846 A 123 GLN HA A 123 GLN HBx 1.0 1.8 3.7 1847 1847 A 123 GLN HBy A 123 GLN HG3 1.0 1.8 3.7 1848 1848 A 123 GLN HBy A 123 GLN HG2 1.0 1.8 2.8 1849 1849 A 123 GLN HG3 A 123 GLN HE2x 1.0 1.8 3.7 1850 1850 A 123 GLN HA A 123 GLN HE2y 1.0 1.8 3.7 1851 1851 A 121 HIS HA A 123 GLN H 1.0 1.8 4.5 1852 1852 A 122 GLU HA A 123 GLN H 1.0 1.8 4.5 1853 1853 A 122 GLU H A 123 GLN H 1.0 1.8 3.7 1854 1854 A 123 GLN H A 123 GLN HA 1.0 1.8 3.7 1855 1855 A 123 GLN H A 123 GLN HBy 1.0 1.8 2.8 1856 1856 A 123 GLN H A 123 GLN HG2 1.0 1.8 3.7 1857 1857 A 123 GLN H A 124 LEU H 1.0 1.8 3.7 1858 1858 A 124 LEU HBy A 124 LEU HA 1.0 1.8 3.7 1859 1859 A 124 LEU HBy A 124 LEU HA 1.0 1.8 3.7 1860 1860 A 124 LEU HA A 124 LEU HDx% 1.0 1.8 4.5 1861 1861 A 124 LEU HDy% A 124 LEU HA 1.0 1.8 4.5 1862 1862 A 124 LEU HA A 124 LEU HG 1.0 1.8 3.7 1863 1863 A 121 HIS HA A 124 LEU HBy 1.0 1.8 5.7 1864 1864 A 121 HIS HBx A 124 LEU HBy 1.0 1.8 5.7 1865 1865 A 124 LEU HBy A 124 LEU HA 1.0 1.8 4.5 1866 1866 A 124 LEU HBy A 124 LEU HDx% 1.0 1.8 4.5 1867 1867 A 124 LEU HDy% A 124 LEU HBy 1.0 1.8 4.5 1868 1868 A 124 LEU HBy A 124 LEU HG 1.0 1.8 3.7 1869 1869 A 124 LEU HA A 124 LEU HDx% 1.0 1.8 4.5 1870 1870 A 121 HIS HBx A 124 LEU HDy% 1.0 1.8 5.7 1871 1871 A 124 LEU HA A 124 LEU HG 1.0 1.8 3.7 1872 1872 A 121 HIS HA A 124 LEU H 1.0 1.8 4.5 1873 1873 A 121 HIS HBx A 124 LEU H 1.0 1.8 5.7 1874 1874 A 122 GLU H A 124 LEU H 1.0 1.8 5.7 1875 1875 A 123 GLN HBy A 124 LEU H 1.0 1.8 3.7 1876 1876 A 123 GLN HG2 A 124 LEU H 1.0 1.8 4.5 1877 1877 A 123 GLN H A 124 LEU H 1.0 1.8 3.7 1878 1878 A 124 LEU H A 124 LEU HA 1.0 1.8 3.7 1879 1879 A 124 LEU HBy A 124 LEU H 1.0 1.8 2.8 1880 1880 A 124 LEU HDy% A 124 LEU H 1.0 1.8 4.5 1881 1881 A 125 LEU HA A 125 LEU HBx 1.0 1.8 3.7 1882 1882 A 125 LEU HDx% A 125 LEU HA 1.0 1.8 4.5 1883 1883 A 125 LEU HDy% A 125 LEU HBy 1.0 1.8 3.7 1884 1884 A 125 LEU HBy A 126 ARG HA 1.0 1.8 4.5 1885 1885 A 125 LEU HA A 125 LEU HBx 1.0 1.8 4.5 1886 1886 A 125 LEU HDy% A 125 LEU HBx 1.0 1.8 3.7 1887 1887 A 121 HIS HBy A 125 LEU HDx% 1.0 1.8 4.5 1888 1888 A 122 GLU HA A 125 LEU HDx% 1.0 1.8 4.5 1889 1889 A 125 LEU HDx% A 125 LEU HBy 1.0 1.8 3.7 1890 1890 A 125 LEU HDx% A 125 LEU HG 1.0 1.8 3.7 1891 1891 A 125 LEU HDy% A 100 ASN HBx 1.0 1.8 5.7 1892 1892 A 125 LEU HDy% A 101 GLU HA 1.0 1.8 5.7 1893 1893 A 125 LEU HDy% A 125 LEU HA 1.0 1.8 4.5 1894 1894 A 125 LEU HDy% A 125 LEU HBy 1.0 1.8 3.7 1895 1895 A 125 LEU HDy% A 125 LEU HBx 1.0 1.8 3.7 1896 1896 A 125 LEU HDy% A 125 LEU HG 1.0 1.8 3.7 1897 1897 A 124 LEU HBy A 125 LEU H 1.0 1.8 2.8 1898 1898 A 125 LEU HA A 125 LEU H 1.0 1.8 3.7 1899 1899 A 125 LEU HBy A 125 LEU H 1.0 1.8 3.7 1900 1900 A 125 LEU HDx% A 125 LEU H 1.0 1.8 4.5 1901 1901 A 125 LEU HDy% A 125 LEU H 1.0 1.8 4.5 1902 1902 A 126 ARG HBx A 125 LEU H 1.0 1.8 4.5 1903 1903 A 125 LEU H A 126 ARG H 1.0 1.8 3.7 1904 1904 A 126 ARG HA A 126 ARG HD2 1.0 1.8 4.5 1905 1905 A 126 ARG HD2 A 126 ARG HBy 1.0 1.8 4.5 1906 1906 A 123 GLN HA A 126 ARG HD2 1.0 1.8 3.7 1907 1907 A 126 ARG HD2 A 126 ARG HBy 1.0 1.8 3.7 1908 1908 A 126 ARG HD2 A 126 ARG HG2 1.0 1.8 3.7 1909 1909 A 124 LEU H A 126 ARG H 1.0 1.8 3.7 1910 1910 A 125 LEU HBy A 126 ARG H 1.0 1.8 4.5 1911 1911 A 125 LEU HDx% A 126 ARG H 1.0 1.8 4.5 1912 1912 A 126 ARG HA A 126 ARG H 1.0 1.8 3.7 1913 1913 A 126 ARG H A 126 ARG HBy 1.0 1.8 4.0 1914 1914 A 126 ARG H A 126 ARG HG3 1.0 1.8 4.5 1915 1915 A 126 ARG H A 127 LYS H 1.0 1.8 3.7 1916 1916 A 127 LYS HA A 127 LYS HB2 1.0 1.8 3.7 1917 1917 A 127 LYS HGx A 128 SER HBy 1.0 1.8 5.7 1918 1918 A 126 ARG HA A 127 LYS H 1.0 1.8 3.7 1919 1919 A 126 ARG H A 127 LYS H 1.0 1.8 3.7 1920 1920 A 127 LYS H A 127 LYS HA 1.0 1.8 3.7 1921 1921 A 127 LYS H A 127 LYS HB2 1.0 1.8 2.8 1922 1922 A 127 LYS H A 127 LYS HGy 1.0 1.8 3.7 1923 1923 A 127 LYS H A 127 LYS HGx 1.0 1.8 3.7 1924 1924 A 127 LYS H A 128 SER H 1.0 1.8 3.7 1925 1925 A 127 LYS H A 129 GLU H 1.0 1.8 4.5 1926 1926 A 104 VAL HG1% A 128 SER HA 1.0 1.8 5.7 1927 1927 A 104 VAL HG1% A 128 SER HA 1.0 1.8 5.7 1928 1928 A 105 ARG HBx A 128 SER HA 1.0 1.8 3.7 1929 1929 A 128 SER HA A 131 GLN HBy 1.0 1.8 3.7 1930 1930 A 128 SER HBy A 128 SER HA 1.0 1.8 4.5 1931 1931 A 104 VAL HG1% A 128 SER H 1.0 1.8 4.5 1932 1932 A 127 LYS HB2 A 128 SER H 1.0 1.8 2.8 1933 1933 A 127 LYS H A 128 SER H 1.0 1.8 3.7 1934 1934 A 128 SER H A 128 SER HA 1.0 1.8 3.7 1935 1935 A 128 SER HBy A 128 SER H 1.0 1.8 2.8 1936 1936 A 128 SER H A 128 SER HBx 1.0 1.8 2.8 1937 1937 A 128 SER H A 129 GLU H 1.0 1.8 3.7 1938 1938 A 104 VAL HG1% A 129 GLU HA 1.0 1.8 4.5 1939 1939 A 129 GLU HA A 129 GLU HB3 1.0 1.8 4.5 1940 1940 A 129 GLU HB2 A 129 GLU HA 1.0 1.8 3.7 1941 1941 A 104 VAL HG1% A 129 GLU H 1.0 1.8 3.7 1942 1942 A 125 LEU HA A 129 GLU H 1.0 1.8 3.7 1943 1943 A 129 GLU H A 128 SER HA 1.0 1.8 3.7 1944 1944 A 128 SER HBy A 129 GLU H 1.0 1.8 4.5 1945 1945 A 128 SER H A 129 GLU H 1.0 1.8 3.7 1946 1946 A 129 GLU H A 129 GLU HA 1.0 1.8 3.7 1947 1947 A 129 GLU HB2 A 129 GLU H 1.0 1.8 2.8 1948 1948 A 129 GLU H A 130 ALA HB% 1.0 1.8 4.5 1949 1949 A 129 GLU H A 130 ALA H 1.0 1.8 3.7 1950 1950 A 132 ALA HB% A 129 GLU H 1.0 1.8 5.7 1951 1951 A 130 ALA HB% A 130 ALA HA 1.0 1.8 4.5 1952 1952 A 130 ALA HA A 133 LYS HBy 1.0 1.8 4.5 1953 1953 A 127 LYS HA A 130 ALA HB% 1.0 1.8 3.7 1954 1954 A 130 ALA HB% A 130 ALA HA 1.0 1.8 4.5 1955 1955 A 129 GLU HB3 A 130 ALA H 1.0 1.8 2.8 1956 1956 A 129 GLU H A 130 ALA H 1.0 1.8 2.8 1957 1957 A 130 ALA H A 130 ALA HA 1.0 1.8 2.8 1958 1958 A 130 ALA HB% A 130 ALA H 1.0 1.8 3.7 1959 1959 A 130 ALA H A 131 GLN H 1.0 1.8 3.7 1960 1960 A 130 ALA HB% A 131 GLN HA 1.0 1.8 3.7 1961 1961 A 131 GLN HA A 131 GLN HBx 1.0 1.8 3.7 1962 1962 A 131 GLN HA A 131 GLN HG2 1.0 1.8 4.5 1963 1963 A 131 GLN HBy A 131 GLN HA 1.0 1.8 3.7 1964 1964 A 131 GLN HBy A 131 GLN HG2 1.0 1.8 2.8 1965 1965 A 128 SER HA A 131 GLN HBx 1.0 1.8 4.5 1966 1966 A 131 GLN HA A 131 GLN HBx 1.0 1.8 3.7 1967 1967 A 131 GLN HBx A 131 GLN HG2 1.0 1.8 2.8 1968 1968 A 131 GLN HA A 131 GLN HG3 1.0 1.8 3.7 1969 1969 A 128 SER HA A 131 GLN H 1.0 1.8 4.5 1970 1970 A 130 ALA HB% A 131 GLN H 1.0 1.8 4.5 1971 1971 A 131 GLN H A 131 GLN HA 1.0 1.8 3.7 1972 1972 A 131 GLN HBy A 131 GLN H 1.0 1.8 3.7 1973 1973 A 131 GLN H A 131 GLN HBx 1.0 1.8 3.7 1974 1974 A 131 GLN H A 131 GLN HG3 1.0 1.8 3.7 1975 1975 A 132 ALA HB% A 131 GLN H 1.0 1.8 5.7 1976 1976 A 131 GLN H A 132 ALA H 1.0 1.8 2.8 1977 1977 A 133 LYS HBy A 131 GLN H 1.0 1.8 4.5 1978 1978 A 132 ALA HB% A 132 ALA HA 1.0 1.8 4.5 1979 1979 A 132 ALA HA A 135 GLU HBy 1.0 1.8 4.5 1980 1980 A 132 ALA HB% A 132 ALA HA 1.0 1.8 3.7 1981 1981 A 131 GLN HBy A 132 ALA H 1.0 1.8 3.7 1982 1982 A 131 GLN HBx A 132 ALA H 1.0 1.8 3.7 1983 1983 A 131 GLN HG2 A 132 ALA H 1.0 1.8 5.7 1984 1984 A 131 GLN H A 132 ALA H 1.0 1.8 3.7 1985 1985 A 132 ALA H A 132 ALA HA 1.0 1.8 3.7 1986 1986 A 132 ALA HB% A 132 ALA H 1.0 1.8 3.7 1987 1987 A 132 ALA H A 133 LYS H 1.0 1.8 3.7 1988 1988 A 133 LYS HBy A 133 LYS HA 1.0 1.8 4.5 1989 1989 A 133 LYS HA A 133 LYS HGx 1.0 1.8 5.7 1990 1990 A 130 ALA HA A 133 LYS HBy 1.0 1.8 5.7 1991 1991 A 133 LYS HBy A 133 LYS HA 1.0 1.8 5.7 1992 1992 A 133 LYS HBy A 133 LYS HDx 1.0 1.8 4.5 1993 1993 A 133 LYS HA A 133 LYS HEx 1.0 1.8 4.5 1994 1994 A 133 LYS HEx A 133 LYS HDy 1.0 1.8 4.5 1995 1995 A 133 LYS HGx A 133 LYS HEx 1.0 1.8 5.7 1996 1996 A 133 LYS HBy A 133 LYS HEy 1.0 1.8 4.5 1997 1997 A 130 ALA HA A 133 LYS H 1.0 1.8 3.7 1998 1998 A 130 ALA HB% A 133 LYS H 1.0 1.8 5.7 1999 1999 A 131 GLN H A 133 LYS H 1.0 1.8 4.5 2000 2000 A 132 ALA HB% A 133 LYS H 1.0 1.8 4.5 2001 2001 A 132 ALA H A 133 LYS H 1.0 1.8 2.8 2002 2002 A 133 LYS H A 133 LYS HA 1.0 1.8 3.7 2003 2003 A 133 LYS H A 133 LYS HBx 1.0 1.8 3.7 2004 2004 A 133 LYS HBy A 133 LYS H 1.0 1.8 3.7 2005 2005 A 133 LYS H A 133 LYS HDy 1.0 1.8 3.7 2006 2006 A 133 LYS H A 134 LYS HBy 1.0 1.8 5.7 2007 2007 A 133 LYS H A 134 LYS H 1.0 1.8 3.7 2008 2008 A 133 LYS H A 135 GLU HGy 1.0 1.8 4.5 2009 2009 A 134 LYS HA A 134 LYS HE3 1.0 1.8 4.5 2010 2010 A 134 LYS HBy A 134 LYS HA 1.0 1.8 3.7 2011 2011 A 134 LYS HDx A 134 LYS HG2 1.0 1.8 2.8 2012 2012 A 134 LYS HE3 A 134 LYS HDx 1.0 1.8 2.8 2013 2013 A 134 LYS HA A 134 LYS HG3 1.0 1.8 4.5 2014 2014 A 133 LYS HA A 134 LYS H 1.0 1.8 4.5 2015 2015 A 133 LYS HBx A 134 LYS H 1.0 1.8 3.7 2016 2016 A 133 LYS HBy A 134 LYS H 1.0 1.8 3.7 2017 2017 A 133 LYS H A 134 LYS H 1.0 1.8 3.7 2018 2018 A 134 LYS H A 134 LYS HA 1.0 1.8 2.8 2019 2019 A 134 LYS HBy A 134 LYS H 1.0 1.8 2.8 2020 2020 A 134 LYS H A 135 GLU H 1.0 1.8 3.7 2021 2021 A 135 GLU HBy A 135 GLU HA 1.0 1.8 3.7 2022 2022 A 135 GLU HA A 135 GLU HGx 1.0 1.8 3.7 2023 2023 A 135 GLU HA A 136 LYS HGy 1.0 1.8 4.5 2024 2024 A 135 GLU HA A 135 GLU HGx 1.0 1.8 4.5 2025 2025 A 135 GLU HBy A 135 GLU HGx 1.0 1.8 3.7 2026 2026 A 135 GLU HGx A 137 LEU HG 1.0 1.8 5.7 2027 2027 A 133 LYS H A 135 GLU H 1.0 1.8 4.5 2028 2028 A 134 LYS HBy A 135 GLU H 1.0 1.8 3.7 2029 2029 A 134 LYS HG2 A 135 GLU H 1.0 1.8 3.7 2030 2030 A 134 LYS H A 135 GLU H 1.0 1.8 2.8 2031 2031 A 135 GLU H A 135 GLU HA 1.0 1.8 3.7 2032 2032 A 135 GLU H A 135 GLU HGx 1.0 1.8 3.7 2033 2033 A 135 GLU H A 136 LYS HA 1.0 1.8 4.5 2034 2034 A 135 GLU H A 137 LEU HDy% 1.0 1.8 5.7 2035 2035 A 136 LYS HA A 136 LYS HB3 1.0 1.8 4.5 2036 2036 A 136 LYS HA A 136 LYS HE2 1.0 1.8 4.5 2037 2037 A 136 LYS HGy A 136 LYS HA 1.0 1.8 3.7 2038 2038 A 136 LYS HB3 A 140 TRP HA 1.0 1.8 5.7 2039 2039 A 136 LYS HA A 136 LYS HB2 1.0 1.8 3.7 2040 2040 A 136 LYS HB2 A 140 TRP HBx 1.0 1.8 5.7 2041 2041 A 133 LYS HA A 136 LYS H 1.0 1.8 3.7 2042 2042 A 135 GLU HA A 136 LYS H 1.0 1.8 3.7 2043 2043 A 135 GLU HGx A 136 LYS H 1.0 1.8 5.7 2044 2044 A 136 LYS HA A 136 LYS H 1.0 1.8 2.8 2045 2045 A 136 LYS HB2 A 136 LYS H 1.0 1.8 3.7 2046 2046 A 136 LYS HGy A 136 LYS H 1.0 1.8 2.8 2047 2047 A 136 LYS H A 140 TRP HBy 1.0 1.8 4.5 2048 2048 A 135 GLU HBy A 137 LEU HA 1.0 1.8 3.7 2049 2049 A 137 LEU HA A 137 LEU HBy 1.0 1.8 3.7 2050 2050 A 137 LEU HG A 137 LEU HA 1.0 1.8 3.7 2051 2051 A 137 LEU HDx% A 137 LEU HBy 1.0 1.8 3.7 2052 2052 A 137 LEU HDx% A 137 LEU HBy 1.0 1.8 3.7 2053 2053 A 137 LEU HDx% A 137 LEU HBy 1.0 1.8 3.7 2054 2054 A 137 LEU HDx% A 137 LEU HG 1.0 1.8 4.5 2055 2055 A 132 ALA HA A 137 LEU HDy% 1.0 1.8 4.5 2056 2056 A 137 LEU HDy% A 137 LEU HBy 1.0 1.8 4.5 2057 2057 A 137 LEU HDx% A 137 LEU HG 1.0 1.8 5.7 2058 2058 A 136 LYS HA A 137 LEU H 1.0 1.8 3.7 2059 2059 A 137 LEU HBy A 137 LEU H 1.0 1.8 3.7 2060 2060 A 137 LEU HDx% A 137 LEU H 1.0 1.8 4.5 2061 2061 A 137 LEU HDy% A 137 LEU H 1.0 1.8 4.5 2062 2062 A 137 LEU HG A 137 LEU H 1.0 1.8 2.8 2063 2063 A 140 TRP HBy A 137 LEU H 1.0 1.8 4.5 2064 2064 A 140 TRP HBx A 137 LEU H 1.0 1.8 3.7 2065 2065 A 106 GLN HBx A 138 ASN HD2y 1.0 1.8 3.7 2066 2066 A 106 GLN HGx A 138 ASN HD2y 1.0 1.8 4.5 2067 2067 A 108 LEU HDy% A 138 ASN HD2y 1.0 1.8 5.7 2068 2068 A 137 LEU HA A 138 ASN H 1.0 1.8 4.5 2069 2069 A 138 ASN HD2y A 138 ASN H 1.0 1.8 4.5 2070 2070 A 139 ILE HA A 139 ILE HB 1.0 1.8 4.5 2071 2071 A 108 LEU HBx A 139 ILE HD1% 1.0 1.8 4.5 2072 2072 A 139 ILE HA A 139 ILE HD1% 1.0 1.8 5.7 2073 2073 A 139 ILE HD1% A 139 ILE HG13 1.0 1.8 3.7 2074 2074 A 140 TRP HA A 139 ILE HD1% 1.0 1.8 5.7 2075 2075 A 140 TRP HBy A 140 TRP HD1 1.0 1.8 4.5 2076 2076 A 140 TRP HBy A 140 TRP HD1 1.0 1.8 4.5 2077 2077 A 133 LYS HA A 140 TRP HE3 1.0 1.8 4.5 2078 2078 A 133 LYS HGx A 140 TRP HE3 1.0 1.8 4.5 2079 2079 A 136 LYS HA A 140 TRP HE3 1.0 1.8 5.7 2080 2080 A 140 TRP HE3 A 136 LYS HE3 1.0 1.8 4.5 2081 2081 A 140 TRP HE3 A 140 TRP HZ3 1.0 1.8 3.7 2082 2082 A 107 GLY HAy A 140 TRP H 1.0 1.8 4.5 2083 2083 A 136 LYS HA A 140 TRP H 1.0 1.8 4.5 2084 2084 A 139 ILE HB A 140 TRP H 1.0 1.8 4.5 2085 2085 A 140 TRP HA A 140 TRP H 1.0 1.8 3.7 2086 2086 A 140 TRP HBx A 140 TRP H 1.0 1.8 3.7 2087 2087 A 140 TRP HZ2 A 137 LEU HBx 1.0 1.8 3.7 2088 2088 A 110 LYS HBy A 140 TRP HZ3 1.0 1.8 3.7 2089 2089 A 129 GLU HA A 140 TRP HZ3 1.0 1.8 4.5 2090 2090 A 133 LYS HDy A 140 TRP HZ3 1.0 1.8 4.5 2091 2091 A 140 TRP HZ3 A 140 TRP HH2 1.0 1.8 3.7 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 74 VAL H A 10 GLU O 1.0 1.5 2.5 2 2 A 10 GLU O A 74 VAL N 1.0 2.5 3.5 3 3 A 24 LYS H A 16 LYS O 1.0 1.5 2.5 4 4 A 16 LYS O A 24 LYS N 1.0 2.5 3.5 5 5 A 36 LEU H A 21 ASP O 1.0 1.5 2.5 6 6 A 21 ASP O A 36 LEU N 1.0 2.5 3.5 7 7 A 34 PHE H A 23 VAL O 1.0 1.5 2.5 8 8 A 23 VAL O A 34 PHE N 1.0 2.5 3.5 9 9 A 16 LYS H A 24 LYS O 1.0 1.5 2.5 10 10 A 24 LYS O A 16 LYS N 1.0 2.5 3.5 11 11 A 32 MET H A 25 LEU O 1.0 1.5 2.5 12 12 A 25 LEU O A 32 MET N 1.0 2.5 3.5 13 13 A 30 GLN H A 27 TYR O 1.0 1.5 2.5 14 14 A 27 TYR O A 30 GLN N 1.0 2.5 3.5 15 15 A 27 TYR H A 30 GLN O 1.0 1.5 2.5 16 16 A 30 GLN O A 27 TYR N 1.0 2.5 3.5 17 17 A 25 LEU H A 32 MET O 1.0 1.5 2.5 18 18 A 32 MET O A 25 LEU N 1.0 2.5 3.5 19 19 A 23 VAL H A 34 PHE O 1.0 1.5 2.5 20 20 A 34 PHE O A 23 VAL N 1.0 2.5 3.5 21 21 A 58 ALA O A 62 THR N 1.0 2.5 3.5 22 22 A 62 THR H A 58 ALA O 1.0 1.5 2.5 23 23 A 63 LYS H A 59 SER O 1.0 1.5 2.5 24 24 A 59 SER O A 63 LYS N 1.0 2.5 3.5 25 25 A 64 LYS H A 60 ALA O 1.0 1.5 2.5 26 26 A 60 ALA O A 64 LYS N 1.0 2.5 3.5 27 27 A 65 MET H A 61 PHE O 1.0 1.5 2.5 28 28 A 61 PHE O A 65 MET N 1.0 2.5 3.5 29 29 A 66 VAL H A 62 THR O 1.0 1.5 2.5 30 30 A 62 THR O A 66 VAL N 1.0 2.5 3.5 31 31 A 67 GLU H A 63 LYS O 1.0 1.5 2.5 32 32 A 63 LYS O A 67 GLU N 1.0 2.5 3.5 33 33 A 69 ALA H A 65 MET O 1.0 1.5 2.5 34 34 A 65 MET O A 69 ALA N 1.0 2.5 3.5 35 35 A 12 ALA H A 72 ILE O 1.0 1.5 2.5 36 36 A 72 ILE O A 12 ALA N 1.0 2.5 3.5 37 37 A 73 GLU O A 93 TYR N 1.0 2.5 3.5 38 38 A 93 TYR H A 73 GLU O 1.0 1.5 2.5 39 39 A 91 TYR H A 75 GLU O 1.0 1.5 2.5 40 40 A 75 GLU O A 91 TYR N 1.0 2.5 3.5 41 41 A 89 LEU H A 81 ARG O 1.0 1.5 2.5 42 42 A 81 ARG O A 89 LEU N 1.0 2.5 3.5 43 43 A 35 ARG H A 88 GLY O 1.0 1.5 2.5 44 44 A 88 GLY O A 35 ARG N 1.0 2.5 3.5 45 45 A 37 LEU H A 90 ALA O 1.0 1.5 2.5 46 46 A 90 ALA O A 37 LEU N 1.0 2.5 3.5 47 47 A 75 GLU H A 91 TYR O 1.0 1.5 2.5 48 48 A 91 TYR O A 75 GLU N 1.0 2.5 3.5 49 49 A 99 VAL H A 92 ILE O 1.0 1.5 2.5 50 50 A 92 ILE O A 99 VAL N 1.0 2.5 3.5 51 51 A 93 TYR O A 73 GLU N 1.0 2.5 3.5 52 52 A 73 GLU H A 93 TYR O 1.0 1.5 2.5 53 53 A 97 LYS H A 94 ALA O 1.0 1.5 2.5 54 54 A 94 ALA O A 97 LYS N 1.0 2.5 3.5 55 55 A 94 ALA H A 97 LYS O 1.0 1.5 2.5 56 56 A 97 LYS O A 94 ALA N 1.0 2.5 3.5 57 57 A 102 ALA H A 98 MET O 1.0 1.5 2.5 58 58 A 98 MET O A 102 ALA N 1.0 2.5 3.5 59 59 A 103 LEU H A 99 VAL O 1.0 1.5 2.5 60 60 A 99 VAL O A 103 LEU N 1.0 2.5 3.5 61 61 A 104 VAL H A 100 ASN O 1.0 1.5 2.5 62 62 A 100 ASN O A 104 VAL N 1.0 2.5 3.5 63 63 A 105 ARG H A 101 GLU O 1.0 1.5 2.5 64 64 A 101 GLU O A 105 ARG N 1.0 2.5 3.5 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 8 HIS C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -116.68 -76.68 PHI 2 2 A 9 LYS C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -156.55 -116.55 PHI 3 3 A 11 PRO C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -164.02 -124.02 PHI 4 4 A 12 ALA C A 13 THR N A 13 THR CA A 13 THR C 1.0 -137.66 -97.66 PHI 5 5 A 13 THR C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -93.28 -53.28 PHI 6 6 A 15 ILE C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -169.00 -139.00 PHI 7 7 A 16 LYS C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -119.00 -79.00 PHI 8 8 A 21 ASP C A 22 THR N A 22 THR CA A 22 THR C 1.0 -125.00 -95.00 PHI 9 9 A 22 THR C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -155.00 -125.00 PHI 10 10 A 23 VAL C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -128.00 -88.00 PHI 11 11 A 24 LYS C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -134.00 -104.00 PHI 12 12 A 25 LEU C A 26 MET N A 26 MET CA A 26 MET C 1.0 -131.32 -81.32 PHI 13 13 A 26 MET C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -139.00 -109.00 PHI 14 14 A 27 TYR C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 38.00 68.00 PHI 15 15 A 29 GLY C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -134.81 -94.81 PHI 16 16 A 31 PRO C A 32 MET N A 32 MET CA A 32 MET C 1.0 -135.72 -95.72 PHI 17 17 A 32 MET C A 33 THR N A 33 THR CA A 33 THR C 1.0 -123.24 -73.24 PHI 18 18 A 33 THR C A 34 PHE N A 34 PHE CA A 34 PHE C 1.0 -141.87 -101.87 PHI 19 19 A 34 PHE C A 35 ARG N A 35 ARG CA A 35 ARG C 1.0 -132.50 -102.50 PHI 20 20 A 38 LEU C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -139.29 -109.29 PHI 21 21 A 39 VAL C A 40 ASP N A 40 ASP CA A 40 ASP C 1.0 -124.58 -94.58 PHI 22 22 A 40 ASP C A 41 THR N A 41 THR CA A 41 THR C 1.0 -110.76 -80.76 PHI 23 23 A 56 PRO C A 57 GLU N A 57 GLU CA A 57 GLU C 1.0 -79.00 -49.00 PHI 24 24 A 57 GLU C A 58 ALA N A 58 ALA CA A 58 ALA C 1.0 -80.00 -50.00 PHI 25 25 A 58 ALA C A 59 SER N A 59 SER CA A 59 SER C 1.0 -82.00 -52.00 PHI 26 26 A 59 SER C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -84.00 -54.00 PHI 27 27 A 60 ALA C A 61 PHE N A 61 PHE CA A 61 PHE C 1.0 -78.00 -48.00 PHI 28 28 A 61 PHE C A 62 THR N A 62 THR CA A 62 THR C 1.0 -82.00 -52.00 PHI 29 29 A 62 THR C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -78.00 -48.00 PHI 30 30 A 63 LYS C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -75.54 -45.54 PHI 31 31 A 64 LYS C A 65 MET N A 65 MET CA A 65 MET C 1.0 -82.34 -42.34 PHI 32 32 A 65 MET C A 66 VAL N A 66 VAL CA A 66 VAL C 1.0 -86.28 -56.28 PHI 33 33 A 66 VAL C A 67 GLU N A 67 GLU CA A 67 GLU C 1.0 -81.06 -51.06 PHI 34 34 A 67 GLU C A 68 ASN N A 68 ASN CA A 68 ASN C 1.0 -95.42 -65.42 PHI 35 35 A 68 ASN C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -106.00 -66.00 PHI 36 36 A 70 LYS C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -145.00 -115.00 PHI 37 37 A 71 LYS C A 72 ILE N A 72 ILE CA A 72 ILE C 1.0 -127.00 -97.00 PHI 38 38 A 72 ILE C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -142.00 -112.00 PHI 39 39 A 73 GLU C A 74 VAL N A 74 VAL CA A 74 VAL C 1.0 -149.00 -109.00 PHI 40 40 A 74 VAL C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -139.00 -99.00 PHI 41 41 A 75 GLU C A 76 PHE N A 76 PHE CA A 76 PHE C 1.0 -114.00 -74.00 PHI 42 42 A 89 LEU C A 90 ALA N A 90 ALA CA A 90 ALA C 1.0 -152.00 -112.00 PHI 43 43 A 90 ALA C A 91 TYR N A 91 TYR CA A 91 TYR C 1.0 -121.00 -81.00 PHI 44 44 A 91 TYR C A 92 ILE N A 92 ILE CA A 92 ILE C 1.0 -124.39 -94.39 PHI 45 45 A 92 ILE C A 93 TYR N A 93 TYR CA A 93 TYR C 1.0 -135.00 -95.00 PHI 46 46 A 93 TYR C A 94 ALA N A 94 ALA CA A 94 ALA C 1.0 -144.00 -94.00 PHI 47 47 A 97 LYS C A 98 MET N A 98 MET CA A 98 MET C 1.0 -96.00 -56.00 PHI 48 48 A 98 MET C A 99 VAL N A 99 VAL CA A 99 VAL C 1.0 -73.00 -43.00 PHI 49 49 A 99 VAL C A 100 ASN N A 100 ASN CA A 100 ASN C 1.0 -74.00 -44.00 PHI 50 50 A 100 ASN C A 101 GLU N A 101 GLU CA A 101 GLU C 1.0 -75.53 -45.53 PHI 51 51 A 101 GLU C A 102 ALA N A 102 ALA CA A 102 ALA C 1.0 -81.14 -51.14 PHI 52 52 A 102 ALA C A 103 LEU N A 103 LEU CA A 103 LEU C 1.0 -78.77 -48.77 PHI 53 53 A 103 LEU C A 104 VAL N A 104 VAL CA A 104 VAL C 1.0 -75.73 -45.73 PHI 54 54 A 104 VAL C A 105 ARG N A 105 ARG CA A 105 ARG C 1.0 -78.00 -48.00 PHI 55 55 A 109 ALA C A 110 LYS N A 110 LYS CA A 110 LYS C 1.0 -151.00 -91.00 PHI 56 56 A 110 LYS C A 111 VAL N A 111 VAL CA A 111 VAL C 1.0 -110.00 -60.00 PHI 57 57 A 111 VAL C A 112 ALA N A 112 ALA CA A 112 ALA C 1.0 -144.00 -114.00 PHI 58 58 A 115 TYR C A 116 LYS N A 116 LYS CA A 116 LYS C 1.0 -102.00 -52.00 PHI 59 59 A 119 ASN C A 120 THR N A 120 THR CA A 120 THR C 1.0 -84.00 -44.00 PHI 60 60 A 120 THR C A 121 HIS N A 121 HIS CA A 121 HIS C 1.0 -123.00 -83.00 PHI 61 61 A 121 HIS C A 122 GLU N A 122 GLU CA A 122 GLU C 1.0 -73.00 -43.00 PHI 62 62 A 122 GLU C A 123 GLN N A 123 GLN CA A 123 GLN C 1.0 -82.00 -52.00 PHI 63 63 A 123 GLN C A 124 LEU N A 124 LEU CA A 124 LEU C 1.0 -82.00 -52.00 PHI 64 64 A 124 LEU C A 125 LEU N A 125 LEU CA A 125 LEU C 1.0 -79.00 -49.00 PHI 65 65 A 125 LEU C A 126 ARG N A 126 ARG CA A 126 ARG C 1.0 -82.00 -52.00 PHI 66 66 A 126 ARG C A 127 LYS N A 127 LYS CA A 127 LYS C 1.0 -80.00 -50.00 PHI 67 67 A 127 LYS C A 128 SER N A 128 SER CA A 128 SER C 1.0 -83.00 -53.00 PHI 68 68 A 128 SER C A 129 GLU N A 129 GLU CA A 129 GLU C 1.0 -84.00 -44.00 PHI 69 69 A 129 GLU C A 130 ALA N A 130 ALA CA A 130 ALA C 1.0 -79.00 -49.00 PHI 70 70 A 130 ALA C A 131 GLN N A 131 GLN CA A 131 GLN C 1.0 -80.00 -50.00 PHI 71 71 A 131 GLN C A 132 ALA N A 132 ALA CA A 132 ALA C 1.0 -91.00 -41.00 PHI 72 72 A 132 ALA C A 133 LYS N A 133 LYS CA A 133 LYS C 1.0 -83.00 -53.00 PHI 73 73 A 133 LYS C A 134 LYS N A 134 LYS CA A 134 LYS C 1.0 -87.00 -47.00 PHI 74 74 A 134 LYS C A 135 GLU N A 135 GLU CA A 135 GLU C 1.0 -108.00 -78.00 PHI 75 75 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 GLU N 1.0 102.08 162.08 PSI 76 76 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 PRO N 1.0 132.03 172.03 PSI 77 77 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 THR N 1.0 134.89 174.89 PSI 78 78 A 13 THR N A 13 THR CA A 13 THR C A 14 LEU N 1.0 128.89 168.89 PSI 79 79 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 ILE N 1.0 108.50 138.50 PSI 80 80 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 ALA N 1.0 121.00 161.00 PSI 81 81 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 ILE N 1.0 107.00 137.00 PSI 82 82 A 22 THR N A 22 THR CA A 22 THR C A 23 VAL N 1.0 125.00 165.00 PSI 83 83 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 LYS N 1.0 131.00 161.00 PSI 84 84 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 LEU N 1.0 115.00 145.00 PSI 85 85 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 MET N 1.0 127.00 157.00 PSI 86 86 A 26 MET N A 26 MET CA A 26 MET C A 27 TYR N 1.0 101.75 141.75 PSI 87 87 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 LYS N 1.0 100.00 140.00 PSI 88 88 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 GLY N 1.0 28.00 58.00 PSI 89 89 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 PRO N 1.0 126.04 156.04 PSI 90 90 A 32 MET N A 32 MET CA A 32 MET C A 33 THR N 1.0 110.27 150.27 PSI 91 91 A 33 THR N A 33 THR CA A 33 THR C A 34 PHE N 1.0 112.70 152.70 PSI 92 92 A 34 PHE N A 34 PHE CA A 34 PHE C A 35 ARG N 1.0 126.01 166.01 PSI 93 93 A 35 ARG N A 35 ARG CA A 35 ARG C A 36 LEU N 1.0 117.85 147.85 PSI 94 94 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 ASP N 1.0 140.60 170.60 PSI 95 95 A 40 ASP N A 40 ASP CA A 40 ASP C A 41 THR N 1.0 120.08 150.08 PSI 96 96 A 41 THR N A 41 THR CA A 41 THR C A 42 PRO N 1.0 121.35 151.35 PSI 97 97 A 57 GLU N A 57 GLU CA A 57 GLU C A 58 ALA N 1.0 -54.00 -24.00 PSI 98 98 A 58 ALA N A 58 ALA CA A 58 ALA C A 59 SER N 1.0 -57.00 -27.00 PSI 99 99 A 59 SER N A 59 SER CA A 59 SER C A 60 ALA N 1.0 -50.00 -20.00 PSI 100 100 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 PHE N 1.0 -57.00 -27.00 PSI 101 101 A 61 PHE N A 61 PHE CA A 61 PHE C A 62 THR N 1.0 -55.00 -25.00 PSI 102 102 A 62 THR N A 62 THR CA A 62 THR C A 63 LYS N 1.0 -57.00 -27.00 PSI 103 103 A 63 LYS N A 63 LYS CA A 63 LYS C A 64 LYS N 1.0 -67.00 -27.00 PSI 104 104 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 MET N 1.0 -61.84 -21.84 PSI 105 105 A 65 MET N A 65 MET CA A 65 MET C A 66 VAL N 1.0 -52.34 -22.34 PSI 106 106 A 66 VAL N A 66 VAL CA A 66 VAL C A 67 GLU N 1.0 -49.22 -19.22 PSI 107 107 A 67 GLU N A 67 GLU CA A 67 GLU C A 68 ASN N 1.0 -52.48 -22.48 PSI 108 108 A 68 ASN N A 68 ASN CA A 68 ASN C A 69 ALA N 1.0 -45.31 -5.31 PSI 109 109 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 LYS N 1.0 112.00 152.00 PSI 110 110 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 ILE N 1.0 127.00 157.00 PSI 111 111 A 72 ILE N A 72 ILE CA A 72 ILE C A 73 GLU N 1.0 114.00 144.00 PSI 112 112 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 VAL N 1.0 134.00 164.00 PSI 113 113 A 74 VAL N A 74 VAL CA A 74 VAL C A 75 GLU N 1.0 110.00 160.00 PSI 114 114 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 PHE N 1.0 104.00 154.00 PSI 115 115 A 76 PHE N A 76 PHE CA A 76 PHE C A 77 ASP N 1.0 106.00 156.00 PSI 116 116 A 90 ALA N A 90 ALA CA A 90 ALA C A 91 TYR N 1.0 126.00 176.00 PSI 117 117 A 91 TYR N A 91 TYR CA A 91 TYR C A 92 ILE N 1.0 108.00 138.00 PSI 118 118 A 92 ILE N A 92 ILE CA A 92 ILE C A 93 TYR N 1.0 115.07 155.07 PSI 119 119 A 94 ALA N A 94 ALA CA A 94 ALA C A 95 ASP N 1.0 115.00 155.00 PSI 120 120 A 98 MET N A 98 MET CA A 98 MET C A 99 VAL N 1.0 104.00 134.00 PSI 121 121 A 99 VAL N A 99 VAL CA A 99 VAL C A 100 ASN N 1.0 -59.00 -29.00 PSI 122 122 A 100 ASN N A 100 ASN CA A 100 ASN C A 101 GLU N 1.0 -59.00 -29.00 PSI 123 123 A 101 GLU N A 101 GLU CA A 101 GLU C A 102 ALA N 1.0 -58.78 -28.78 PSI 124 124 A 102 ALA N A 102 ALA CA A 102 ALA C A 103 LEU N 1.0 -59.42 -19.42 PSI 125 125 A 103 LEU N A 103 LEU CA A 103 LEU C A 104 VAL N 1.0 -59.30 -29.30 PSI 126 126 A 104 VAL N A 104 VAL CA A 104 VAL C A 105 ARG N 1.0 -56.23 -26.23 PSI 127 127 A 105 ARG N A 105 ARG CA A 105 ARG C A 106 GLN N 1.0 -54.00 -4.00 PSI 128 128 A 110 LYS N A 110 LYS CA A 110 LYS C A 111 VAL N 1.0 116.00 166.00 PSI 129 129 A 111 VAL N A 111 VAL CA A 111 VAL C A 112 ALA N 1.0 107.00 147.00 PSI 130 130 A 112 ALA N A 112 ALA CA A 112 ALA C A 113 TYR N 1.0 128.00 168.00 PSI 131 131 A 116 LYS N A 116 LYS CA A 116 LYS C A 117 PRO N 1.0 109.00 159.00 PSI 132 132 A 120 THR N A 120 THR CA A 120 THR C A 121 HIS N 1.0 -49.00 -19.00 PSI 133 133 A 121 HIS N A 121 HIS CA A 121 HIS C A 122 GLU N 1.0 -1.00 29.00 PSI 134 134 A 122 GLU N A 122 GLU CA A 122 GLU C A 123 GLN N 1.0 -56.00 -26.00 PSI 135 135 A 123 GLN N A 123 GLN CA A 123 GLN C A 124 LEU N 1.0 -54.00 -24.00 PSI 136 136 A 124 LEU N A 124 LEU CA A 124 LEU C A 125 LEU N 1.0 -58.00 -28.00 PSI 137 137 A 125 LEU N A 125 LEU CA A 125 LEU C A 126 ARG N 1.0 -55.00 -25.00 PSI 138 138 A 126 ARG N A 126 ARG CA A 126 ARG C A 127 LYS N 1.0 -58.00 -18.00 PSI 139 139 A 127 LYS N A 127 LYS CA A 127 LYS C A 128 SER N 1.0 -58.00 -28.00 PSI 140 140 A 128 SER N A 128 SER CA A 128 SER C A 129 GLU N 1.0 -55.00 -25.00 PSI 141 141 A 129 GLU N A 129 GLU CA A 129 GLU C A 130 ALA N 1.0 -63.00 -23.00 PSI 142 142 A 130 ALA N A 130 ALA CA A 130 ALA C A 131 GLN N 1.0 -56.00 -26.00 PSI 143 143 A 131 GLN N A 131 GLN CA A 131 GLN C A 132 ALA N 1.0 -56.00 -26.00 PSI 144 144 A 132 ALA N A 132 ALA CA A 132 ALA C A 133 LYS N 1.0 -64.00 -24.00 PSI 145 145 A 133 LYS N A 133 LYS CA A 133 LYS C A 134 LYS N 1.0 -53.00 -23.00 PSI 146 146 A 134 LYS N A 134 LYS CA A 134 LYS C A 135 GLU N 1.0 -46.00 -16.00 PSI 147 147 A 135 GLU N A 135 GLU CA A 135 GLU C A 136 LYS N 1.0 -12.00 18.00 PSI stop_ save_