data_nef_c25527_2n0k save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2N0K stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 64 GLY start . false 2 A 65 LEU middle . . 3 A 66 SER middle . . 4 A 67 GLU middle . . 5 A 68 MET middle . . 6 A 69 ARG middle . . 7 A 70 LEU middle . . 8 A 71 GLU middle . . 9 A 72 LYS middle . . 10 A 73 ASP middle . . 11 A 74 ARG middle . . 12 A 75 PHE middle . . 13 A 76 SER middle . . 14 A 77 VAL middle . . 15 A 78 ASN middle . . 16 A 79 LEU middle . . 17 A 80 ASP middle . . 18 A 81 VAL middle . . 19 A 82 LYS middle . . 20 A 83 HIS middle . . 21 A 84 PHE middle . . 22 A 85 SER middle . . 23 A 86 PRO middle . false 24 A 87 GLU middle . . 25 A 88 GLU middle . . 26 A 89 LEU middle . . 27 A 90 LYS middle . . 28 A 91 VAL middle . . 29 A 92 LYS middle . . 30 A 93 VAL middle . . 31 A 94 LEU middle . . 32 A 95 GLY middle . false 33 A 96 ASP middle . . 34 A 97 VAL middle . . 35 A 98 ILE middle . . 36 A 99 GLU middle . . 37 A 100 VAL middle . . 38 A 101 HIS middle . . 39 A 102 GLY middle . false 40 A 103 LYS middle . . 41 A 104 HIS middle . . 42 A 105 GLU middle . . 43 A 106 GLU middle . . 44 A 107 ARG middle . . 45 A 108 GLN middle . . 46 A 109 ASP middle . . 47 A 110 GLU middle . . 48 A 111 HIS middle . . 49 A 112 GLY middle . false 50 A 113 PHE middle . true 51 A 114 ILE middle . . 52 A 115 SER middle . . 53 A 116 ARG middle . . 54 A 117 GLU middle . . 55 A 118 PHE middle . . 56 A 119 HIS middle . . 57 A 120 ARG middle . . 58 A 121 LYS middle . . 59 A 122 TYR middle . . 60 A 123 ARG middle . . 61 A 124 ILE middle . . 62 A 125 PRO middle . false 63 A 126 ALA middle . . 64 A 127 ASP middle . . 65 A 128 VAL middle . . 66 A 129 ASP middle . . 67 A 130 PRO middle . false 68 A 131 LEU middle . . 69 A 132 THR middle . . 70 A 133 ILE middle . . 71 A 134 THR middle . . 72 A 135 SER middle . . 73 A 136 SER middle . . 74 A 137 LEU middle . . 75 A 138 SER middle . . 76 A 139 SER middle . . 77 A 140 ASP middle . . 78 A 141 GLY middle . false 79 A 142 VAL middle . . 80 A 143 LEU middle . . 81 A 144 THR middle . . 82 A 145 VAL middle . . 83 A 146 ASP middle . . 84 A 147 GLY middle . false 85 A 148 PRO middle . false 86 A 149 ARG middle . . 87 A 150 LYS middle . . 88 A 151 GLN middle . . 89 A 152 VAL end . . 90 B 64 GLY start . false 91 B 65 LEU middle . . 92 B 66 SER middle . . 93 B 67 GLU middle . . 94 B 68 MET middle . . 95 B 69 ARG middle . . 96 B 70 LEU middle . . 97 B 71 GLU middle . . 98 B 72 LYS middle . . 99 B 73 ASP middle . . 100 B 74 ARG middle . . 101 B 75 PHE middle . . 102 B 76 SER middle . . 103 B 77 VAL middle . . 104 B 78 ASN middle . . 105 B 79 LEU middle . . 106 B 80 ASP middle . . 107 B 81 VAL middle . . 108 B 82 LYS middle . . 109 B 83 HIS middle . . 110 B 84 PHE middle . . 111 B 85 SER middle . . 112 B 86 PRO middle . false 113 B 87 GLU middle . . 114 B 88 GLU middle . . 115 B 89 LEU middle . . 116 B 90 LYS middle . . 117 B 91 VAL middle . . 118 B 92 LYS middle . . 119 B 93 VAL middle . . 120 B 94 LEU middle . . 121 B 95 GLY middle . false 122 B 96 ASP middle . . 123 B 97 VAL middle . . 124 B 98 ILE middle . . 125 B 99 GLU middle . . 126 B 100 VAL middle . . 127 B 101 HIS middle . . 128 B 102 GLY middle . false 129 B 103 LYS middle . . 130 B 104 HIS middle . . 131 B 105 GLU middle . . 132 B 106 GLU middle . . 133 B 107 ARG middle . . 134 B 108 GLN middle . . 135 B 109 ASP middle . . 136 B 110 GLU middle . . 137 B 111 HIS middle . . 138 B 112 GLY middle . false 139 B 113 PHE middle . true 140 B 114 ILE middle . . 141 B 115 SER middle . . 142 B 116 ARG middle . . 143 B 117 GLU middle . . 144 B 118 PHE middle . . 145 B 119 HIS middle . . 146 B 120 ARG middle . . 147 B 121 LYS middle . . 148 B 122 TYR middle . . 149 B 123 ARG middle . . 150 B 124 ILE middle . . 151 B 125 PRO middle . false 152 B 126 ALA middle . . 153 B 127 ASP middle . . 154 B 128 VAL middle . . 155 B 129 ASP middle . . 156 B 130 PRO middle . false 157 B 131 LEU middle . . 158 B 132 THR middle . . 159 B 133 ILE middle . . 160 B 134 THR middle . . 161 B 135 SER middle . . 162 B 136 SER middle . . 163 B 137 LEU middle . . 164 B 138 SER middle . . 165 B 139 SER middle . . 166 B 140 ASP middle . . 167 B 141 GLY middle . false 168 B 142 VAL middle . . 169 B 143 LEU middle . . 170 B 144 THR middle . . 171 B 145 VAL middle . . 172 B 146 ASP middle . . 173 B 147 GLY middle . false 174 B 148 PRO middle . false 175 B 149 ARG middle . . 176 B 150 LYS middle . . 177 B 151 GLN middle . . 178 B 152 VAL end . . stop_ save_ save_HSPB5_ACD_chemical_shifts _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode HSPB5_ACD_chemical_shifts 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 65 LEU HA H 1 4.47 0.01 A 65 LEU HBy H 1 1.82 0.01 A 65 LEU HBx H 1 1.74 0.01 A 65 LEU HDx% H 1 0.94 0.01 A 65 LEU HDy% H 1 0.88 0.01 A 65 LEU HG H 1 1.57 0.01 A 65 LEU C C 13 177.76 0.1 A 65 LEU CA C 13 55.73 0.1 A 65 LEU CB C 13 41.88 0.1 A 65 LEU CDy C 13 24.20 0.1 A 65 LEU CDx C 13 23.04 0.1 A 66 SER H H 1 8.49 0.01 A 66 SER HA H 1 4.83 0.01 A 66 SER HBy H 1 4.39 0.01 A 66 SER HBx H 1 4.04 0.01 A 66 SER C C 13 174.50 0.1 A 66 SER CA C 13 57.49 0.1 A 66 SER CB C 13 63.33 0.1 A 66 SER N N 15 116.81 0.2 A 67 GLU H H 1 8.44 0.01 A 67 GLU HA H 1 4.52 0.01 A 67 GLU HG2 H 1 2.22 0.01 A 67 GLU HG3 H 1 2.22 0.01 A 67 GLU C C 13 176.10 0.1 A 67 GLU CA C 13 56.86 0.1 A 67 GLU CB C 13 29.95 0.1 A 67 GLU CG C 13 36.00 0.1 A 67 GLU N N 15 123.15 0.2 A 68 MET H H 1 8.21 0.01 A 68 MET HA H 1 4.60 0.01 A 68 MET HB2 H 1 2.01 0.01 A 68 MET HB3 H 1 2.01 0.01 A 68 MET HE% H 1 2.16 0.01 A 68 MET HGy H 1 2.48 0.01 A 68 MET HGx H 1 2.43 0.01 A 68 MET C C 13 175.69 0.1 A 68 MET CA C 13 55.52 0.1 A 68 MET CB C 13 32.54 0.1 A 68 MET CE C 13 17.26 0.1 A 68 MET CG C 13 31.60 0.1 A 68 MET N N 15 121.08 0.2 A 69 ARG H H 1 8.67 0.01 A 69 ARG HA H 1 4.46 0.01 A 69 ARG HBy H 1 2.41 0.01 A 69 ARG HBx H 1 2.27 0.01 A 69 ARG HD2 H 1 3.10 0.01 A 69 ARG HD3 H 1 3.10 0.01 A 69 ARG HG2 H 1 1.95 0.01 A 69 ARG HG3 H 1 1.95 0.01 A 69 ARG C C 13 175.52 0.1 A 69 ARG CA C 13 56.20 0.1 A 69 ARG CB C 13 30.57 0.1 A 69 ARG CD C 13 43.08 0.1 A 69 ARG CG C 13 26.60 0.1 A 69 ARG N N 15 124.43 0.2 A 70 LEU H H 1 8.56 0.01 A 70 LEU HA H 1 4.33 0.01 A 70 LEU HBy H 1 1.80 0.01 A 70 LEU HBx H 1 1.61 0.01 A 70 LEU HDx% H 1 0.95 0.01 A 70 LEU HDy% H 1 0.91 0.01 A 70 LEU HG H 1 1.66 0.01 A 70 LEU C C 13 177.09 0.1 A 70 LEU CA C 13 54.63 0.1 A 70 LEU CB C 13 41.74 0.1 A 70 LEU CDy C 13 24.17 0.1 A 70 LEU CDx C 13 23.12 0.1 A 70 LEU CG C 13 26.82 0.1 A 70 LEU N N 15 125.32 0.2 A 71 GLU H H 1 8.46 0.01 A 71 GLU HA H 1 4.43 0.01 A 71 GLU HB2 H 1 2.01 0.01 A 71 GLU HB3 H 1 2.01 0.01 A 71 GLU HG2 H 1 2.19 0.01 A 71 GLU HG3 H 1 2.19 0.01 A 71 GLU C C 13 176.66 0.1 A 71 GLU CA C 13 55.93 0.1 A 71 GLU CB C 13 30.15 0.1 A 71 GLU CG C 13 35.94 0.1 A 71 GLU N N 15 122.78 0.2 A 72 LYS H H 1 8.61 0.01 A 72 LYS HA H 1 4.14 0.01 A 72 LYS HB2 H 1 1.80 0.01 A 72 LYS HB3 H 1 1.80 0.01 A 72 LYS HG2 H 1 1.44 0.01 A 72 LYS HG3 H 1 1.44 0.01 A 72 LYS C C 13 176.67 0.1 A 72 LYS CA C 13 57.25 0.1 A 72 LYS CB C 13 32.30 0.1 A 72 LYS CD C 13 28.52 0.1 A 72 LYS CE C 13 42.04 0.1 A 72 LYS CG C 13 23.91 0.1 A 72 LYS N N 15 121.10 0.2 A 73 ASP H H 1 8.34 0.01 A 73 ASP HA H 1 4.64 0.01 A 73 ASP HB2 H 1 2.71 0.01 A 73 ASP HB3 H 1 2.71 0.01 A 73 ASP C C 13 172.35 0.1 A 73 ASP CA C 13 57.14 0.1 A 73 ASP CB C 13 41.49 0.1 A 73 ASP N N 15 115.63 0.2 A 74 ARG H H 1 7.70 0.01 A 74 ARG HA H 1 4.15 0.01 A 74 ARG HBx H 1 2.16 0.01 A 74 ARG HBy H 1 2.20 0.01 A 74 ARG HD2 H 1 3.08 0.01 A 74 ARG HD3 H 1 3.08 0.01 A 74 ARG HGy H 1 1.71 0.01 A 74 ARG HGx H 1 1.45 0.01 A 74 ARG C C 13 174.91 0.1 A 74 ARG CA C 13 58.33 0.1 A 74 ARG CB C 13 31.74 0.1 A 74 ARG N N 15 118.89 0.2 A 75 PHE H H 1 8.86 0.01 A 75 PHE HA H 1 4.91 0.01 A 75 PHE HBy H 1 3.22 0.01 A 75 PHE HBx H 1 3.05 0.01 A 75 PHE HD1 H 1 7.32 0.01 A 75 PHE HD2 H 1 7.32 0.01 A 75 PHE HE1 H 1 7.41 0.01 A 75 PHE HE2 H 1 7.41 0.01 A 75 PHE C C 13 173.25 0.1 A 75 PHE CA C 13 57.33 0.1 A 75 PHE CB C 13 39.73 0.1 A 75 PHE CD1 C 13 131.60 0.1 A 75 PHE CD2 C 13 131.60 0.1 A 75 PHE CZ C 13 130.60 0.1 A 75 PHE N N 15 123.55 0.2 A 76 SER H H 1 8.00 0.01 A 76 SER HA H 1 5.03 0.01 A 76 SER HBy H 1 3.54 0.01 A 76 SER HBx H 1 3.38 0.01 A 76 SER C C 13 172.97 0.1 A 76 SER CA C 13 57.06 0.1 A 76 SER CB C 13 65.08 0.1 A 76 SER N N 15 119.90 0.2 A 77 VAL H H 1 8.55 0.01 A 77 VAL HA H 1 4.40 0.01 A 77 VAL HB H 1 1.52 0.01 A 77 VAL HGx% H 1 0.28 0.01 A 77 VAL HGy% H 1 0.08 0.01 A 77 VAL C C 13 173.56 0.1 A 77 VAL CA C 13 60.00 0.1 A 77 VAL CB C 13 34.34 0.1 A 77 VAL CGy C 13 20.41 0.1 A 77 VAL CGx C 13 18.77 0.1 A 77 VAL N N 15 122.00 0.2 A 78 ASN H H 1 8.33 0.01 A 78 ASN HA H 1 5.66 0.01 A 78 ASN HBy H 1 2.45 0.01 A 78 ASN HBx H 1 2.29 0.01 A 78 ASN HD21 H 1 7.07 0.01 A 78 ASN HD22 H 1 6.79 0.01 A 78 ASN C C 13 173.76 0.1 A 78 ASN CA C 13 51.82 0.1 A 78 ASN CB C 13 41.72 0.1 A 78 ASN N N 15 121.09 0.2 A 78 ASN ND2 N 15 114.05 0.2 A 79 LEU H H 1 9.28 0.01 A 79 LEU HA H 1 4.63 0.01 A 79 LEU HB2 H 1 1.80 0.01 A 79 LEU HB3 H 1 1.80 0.01 A 79 LEU HDx% H 1 0.82 0.01 A 79 LEU HDy% H 1 0.66 0.01 A 79 LEU HG H 1 1.52 0.01 A 79 LEU C C 13 174.58 0.1 A 79 LEU CA C 13 54.61 0.1 A 79 LEU CB C 13 45.10 0.1 A 79 LEU N N 15 123.17 0.2 A 80 ASP H H 1 8.56 0.01 A 80 ASP HA H 1 4.65 0.01 A 80 ASP HBy H 1 2.80 0.01 A 80 ASP HBx H 1 2.58 0.01 A 80 ASP CA C 13 54.71 0.1 A 80 ASP CB C 13 41.12 0.1 A 80 ASP N N 15 124.85 0.2 A 81 VAL H H 1 7.85 0.01 A 81 VAL HA H 1 4.20 0.01 A 81 VAL HB H 1 1.70 0.01 A 81 VAL HGx% H 1 0.78 0.01 A 81 VAL HGy% H 1 0.69 0.01 A 81 VAL CA C 13 58.90 0.1 A 81 VAL CB C 13 31.40 0.1 A 81 VAL CGy C 13 21.71 0.1 A 81 VAL CGx C 13 20.81 0.1 A 81 VAL N N 15 120.15 0.2 A 82 LYS H H 1 8.78 0.01 A 82 LYS HA H 1 4.48 0.01 A 82 LYS HD2 H 1 1.53 0.01 A 82 LYS HD3 H 1 1.53 0.01 A 82 LYS HE2 H 1 2.79 0.01 A 82 LYS HE3 H 1 2.79 0.01 A 82 LYS HG2 H 1 1.25 0.01 A 82 LYS HG3 H 1 1.25 0.01 A 82 LYS N N 15 122.50 0.2 A 83 HIS H H 1 7.97 0.01 A 83 HIS HA H 1 4.43 0.01 A 83 HIS HBy H 1 2.91 0.01 A 83 HIS HBx H 1 2.51 0.01 A 83 HIS HD2 H 1 6.93 0.01 A 83 HIS HE1 H 1 7.71 0.01 A 83 HIS CA C 13 56.40 0.1 A 83 HIS CB C 13 30.50 0.1 A 83 HIS CD2 C 13 118.70 0.1 A 83 HIS CE1 C 13 138.50 0.1 A 83 HIS N N 15 115.13 0.2 A 83 HIS ND1 N 15 230.20 0.2 A 83 HIS NE2 N 15 176.80 0.2 A 84 PHE H H 1 8.28 0.01 A 84 PHE HA H 1 4.73 0.01 A 84 PHE HBy H 1 3.17 0.01 A 84 PHE HBx H 1 3.02 0.01 A 84 PHE HD1 H 1 7.44 0.01 A 84 PHE HD2 H 1 7.44 0.01 A 84 PHE HE1 H 1 7.26 0.01 A 84 PHE HE2 H 1 7.26 0.01 A 84 PHE C C 13 174.50 0.1 A 84 PHE CA C 13 57.85 0.1 A 84 PHE CB C 13 41.58 0.1 A 84 PHE CD1 C 13 131.46 0.1 A 84 PHE CD2 C 13 131.46 0.1 A 84 PHE N N 15 117.50 0.2 A 85 SER H H 1 9.46 0.01 A 85 SER HA H 1 4.89 0.01 A 85 SER HBy H 1 4.08 0.01 A 85 SER HBx H 1 3.93 0.01 A 85 SER CA C 13 57.22 0.1 A 85 SER CB C 13 62.81 0.1 A 85 SER N N 15 121.02 0.2 A 86 PRO HA H 1 4.71 0.01 A 86 PRO HBy H 1 2.92 0.01 A 86 PRO HBx H 1 2.70 0.01 A 86 PRO HDy H 1 3.94 0.01 A 86 PRO HDx H 1 3.70 0.01 A 86 PRO HG2 H 1 1.99 0.01 A 86 PRO HG3 H 1 1.99 0.01 A 86 PRO C C 13 178.82 0.1 A 86 PRO CA C 13 57.72 0.1 A 86 PRO CB C 13 31.25 0.1 A 86 PRO CD C 13 51.26 0.1 A 86 PRO CG C 13 27.42 0.1 A 87 GLU H H 1 8.60 0.01 A 87 GLU HA H 1 4.35 0.01 A 87 GLU HB2 H 1 2.01 0.01 A 87 GLU HB3 H 1 2.01 0.01 A 87 GLU HG2 H 1 2.37 0.01 A 87 GLU HG3 H 1 2.37 0.01 A 87 GLU C C 13 177.53 0.1 A 87 GLU CA C 13 58.37 0.1 A 87 GLU CB C 13 28.27 0.1 A 87 GLU CG C 13 36.42 0.1 A 87 GLU N N 15 112.89 0.2 A 88 GLU H H 1 8.11 0.01 A 88 GLU HA H 1 4.42 0.01 A 88 GLU HB2 H 1 2.19 0.01 A 88 GLU HB3 H 1 2.19 0.01 A 88 GLU HG2 H 1 2.64 0.01 A 88 GLU HG3 H 1 2.64 0.01 A 88 GLU C C 13 174.53 0.1 A 88 GLU CA C 13 55.87 0.1 A 88 GLU CB C 13 29.98 0.1 A 88 GLU CG C 13 37.09 0.1 A 88 GLU N N 15 120.85 0.2 A 89 LEU H H 1 7.19 0.01 A 89 LEU HA H 1 5.16 0.01 A 89 LEU HB2 H 1 1.72 0.01 A 89 LEU HB3 H 1 1.72 0.01 A 89 LEU HDx% H 1 0.84 0.01 A 89 LEU HDy% H 1 0.67 0.01 A 89 LEU HG H 1 1.17 0.01 A 89 LEU C C 13 175.76 0.1 A 89 LEU CA C 13 53.40 0.1 A 89 LEU CB C 13 45.74 0.1 A 89 LEU CDy C 13 23.86 0.1 A 89 LEU CDx C 13 23.45 0.1 A 89 LEU CG C 13 25.62 0.1 A 89 LEU N N 15 120.35 0.2 A 90 LYS H H 1 8.78 0.01 A 90 LYS HA H 1 4.67 0.01 A 90 LYS HB2 H 1 1.83 0.01 A 90 LYS HB3 H 1 1.83 0.01 A 90 LYS HE2 H 1 2.92 0.01 A 90 LYS HE3 H 1 2.92 0.01 A 90 LYS HG2 H 1 1.39 0.01 A 90 LYS HG3 H 1 1.39 0.01 A 90 LYS C C 13 174.95 0.1 A 90 LYS CA C 13 54.80 0.1 A 90 LYS CB C 13 35.29 0.1 A 90 LYS CD C 13 28.14 0.1 A 90 LYS CE C 13 41.99 0.1 A 90 LYS CG C 13 23.95 0.1 A 90 LYS N N 15 121.62 0.2 A 91 VAL H H 1 8.64 0.01 A 91 VAL HA H 1 4.96 0.01 A 91 VAL HB H 1 1.94 0.01 A 91 VAL HGx% H 1 0.93 0.01 A 91 VAL HGy% H 1 0.89 0.01 A 91 VAL C C 13 175.50 0.1 A 91 VAL CA C 13 61.23 0.1 A 91 VAL CB C 13 33.09 0.1 A 91 VAL CGy C 13 21.20 0.1 A 91 VAL CGx C 13 20.29 0.1 A 91 VAL N N 15 125.23 0.2 A 92 LYS H H 1 9.39 0.01 A 92 LYS HA H 1 4.76 0.01 A 92 LYS HB2 H 1 1.83 0.01 A 92 LYS HB3 H 1 1.83 0.01 A 92 LYS HD2 H 1 1.69 0.01 A 92 LYS HD3 H 1 1.69 0.01 A 92 LYS HE2 H 1 2.90 0.01 A 92 LYS HE3 H 1 2.90 0.01 A 92 LYS HG2 H 1 1.35 0.01 A 92 LYS HG3 H 1 1.35 0.01 A 92 LYS C C 13 174.03 0.1 A 92 LYS CA C 13 54.99 0.1 A 92 LYS CB C 13 35.69 0.1 A 92 LYS CD C 13 28.75 0.1 A 92 LYS CE C 13 41.81 0.1 A 92 LYS CG C 13 23.99 0.1 A 92 LYS N N 15 128.14 0.2 A 93 VAL H H 1 8.75 0.01 A 93 VAL HA H 1 4.47 0.01 A 93 VAL HB H 1 2.06 0.01 A 93 VAL HGx% H 1 0.95 0.01 A 93 VAL HGy% H 1 0.89 0.01 A 93 VAL C C 13 175.43 0.1 A 93 VAL CA C 13 62.67 0.1 A 93 VAL CB C 13 31.61 0.1 A 93 VAL CG1 C 13 20.77 0.1 A 93 VAL CG2 C 13 20.77 0.1 A 93 VAL N N 15 125.18 0.2 A 94 LEU H H 1 8.86 0.01 A 94 LEU HA H 1 4.71 0.01 A 94 LEU HB2 H 1 1.71 0.01 A 94 LEU HB3 H 1 1.71 0.01 A 94 LEU HD1% H 1 0.90 0.01 A 94 LEU HD2% H 1 0.90 0.01 A 94 LEU HG H 1 1.46 0.01 A 94 LEU C C 13 176.47 0.1 A 94 LEU CA C 13 53.85 0.1 A 94 LEU CB C 13 42.47 0.1 A 94 LEU CDy C 13 24.46 0.1 A 94 LEU CDx C 13 23.57 0.1 A 94 LEU CG C 13 35.67 0.1 A 94 LEU N N 15 131.02 0.2 A 95 GLY H H 1 8.64 0.01 A 95 GLY HAy H 1 3.94 0.01 A 95 GLY HAx H 1 3.63 0.01 A 95 GLY C C 13 173.44 0.1 A 95 GLY CA C 13 47.11 0.1 A 95 GLY N N 15 113.69 0.2 A 96 ASP H H 1 8.31 0.01 A 96 ASP HA H 1 4.63 0.01 A 96 ASP HBy H 1 3.05 0.01 A 96 ASP HBx H 1 2.56 0.01 A 96 ASP C C 13 174.90 0.1 A 96 ASP CA C 13 53.25 0.1 A 96 ASP CB C 13 40.11 0.1 A 96 ASP N N 15 122.13 0.2 A 97 VAL H H 1 7.67 0.01 A 97 VAL HA H 1 5.23 0.01 A 97 VAL HB H 1 2.14 0.01 A 97 VAL HG1% H 1 0.98 0.01 A 97 VAL HG2% H 1 0.98 0.01 A 97 VAL C C 13 174.58 0.1 A 97 VAL CA C 13 60.45 0.1 A 97 VAL CB C 13 35.87 0.1 A 97 VAL CGy C 13 21.24 0.1 A 97 VAL CGx C 13 20.48 0.1 A 97 VAL N N 15 117.30 0.2 A 98 ILE H H 1 9.06 0.01 A 98 ILE HA H 1 4.80 0.01 A 98 ILE HB H 1 1.72 0.01 A 98 ILE HD1% H 1 0.91 0.01 A 98 ILE HG12 H 1 1.47 0.01 A 98 ILE HG13 H 1 1.47 0.01 A 98 ILE HG2% H 1 0.97 0.01 A 98 ILE C C 13 175.03 0.1 A 98 ILE CA C 13 59.73 0.1 A 98 ILE CB C 13 40.53 0.1 A 98 ILE CD1 C 13 15.30 0.1 A 98 ILE CG1 C 13 26.91 0.1 A 98 ILE CG2 C 13 17.50 0.1 A 98 ILE N N 15 122.88 0.2 A 99 GLU H H 1 9.57 0.01 A 99 GLU HA H 1 5.33 0.01 A 99 GLU HB2 H 1 2.06 0.01 A 99 GLU HB3 H 1 2.06 0.01 A 99 GLU HG2 H 1 2.28 0.01 A 99 GLU HG3 H 1 2.28 0.01 A 99 GLU C C 13 175.38 0.1 A 99 GLU CA C 13 54.75 0.1 A 99 GLU CB C 13 32.88 0.1 A 99 GLU CG C 13 36.85 0.1 A 99 GLU N N 15 126.66 0.2 A 100 VAL H H 1 9.42 0.01 A 100 VAL HA H 1 4.83 0.01 A 100 VAL HB H 1 1.96 0.01 A 100 VAL HGx% H 1 0.96 0.01 A 100 VAL HGy% H 1 0.84 0.01 A 100 VAL C C 13 173.53 0.1 A 100 VAL CA C 13 61.38 0.1 A 100 VAL CB C 13 34.10 0.1 A 100 VAL CGy C 13 21.05 0.1 A 100 VAL CGx C 13 20.01 0.1 A 100 VAL N N 15 123.66 0.2 A 101 HIS H H 1 9.01 0.01 A 101 HIS HA H 1 5.05 0.01 A 101 HIS HBy H 1 2.95 0.01 A 101 HIS HBx H 1 2.72 0.01 A 101 HIS HD2 H 1 6.52 0.01 A 101 HIS HE1 H 1 7.68 0.01 A 101 HIS C C 13 174.01 0.1 A 101 HIS CA C 13 53.30 0.1 A 101 HIS CB C 13 34.45 0.1 A 101 HIS CD2 C 13 117.80 0.1 A 101 HIS N N 15 127.43 0.2 A 101 HIS ND1 N 15 231.60 0.2 A 101 HIS NE2 N 15 173.10 0.2 A 102 GLY H H 1 7.10 0.01 A 102 GLY HAy H 1 4.81 0.01 A 102 GLY HAx H 1 1.95 0.01 A 102 GLY C C 13 171.05 0.1 A 102 GLY CA C 13 43.61 0.1 A 102 GLY N N 15 112.89 0.2 A 103 LYS H H 1 8.06 0.01 A 103 LYS HA H 1 5.16 0.01 A 103 LYS HB2 H 1 1.75 0.01 A 103 LYS HB3 H 1 1.75 0.01 A 103 LYS HD2 H 1 1.62 0.01 A 103 LYS HD3 H 1 1.62 0.01 A 103 LYS HE2 H 1 2.91 0.01 A 103 LYS HE3 H 1 2.91 0.01 A 103 LYS HG2 H 1 1.31 0.01 A 103 LYS HG3 H 1 1.31 0.01 A 103 LYS C C 13 174.65 0.1 A 103 LYS CA C 13 56.24 0.1 A 103 LYS CB C 13 35.11 0.1 A 103 LYS N N 15 123.26 0.2 A 104 HIS H H 1 9.32 0.01 A 104 HIS HA H 1 5.41 0.01 A 104 HIS HBy H 1 3.45 0.01 A 104 HIS HBx H 1 3.29 0.01 A 104 HIS HD2 H 1 5.86 0.01 A 104 HIS HE1 H 1 7.73 0.01 A 104 HIS C C 13 175.24 0.1 A 104 HIS CA C 13 54.66 0.1 A 104 HIS CB C 13 32.47 0.1 A 104 HIS CD2 C 13 130.40 0.1 A 104 HIS N N 15 123.49 0.2 A 104 HIS ND1 N 15 168.80 0.2 A 104 HIS NE2 N 15 249.70 0.2 A 105 GLU H H 1 9.11 0.01 A 105 GLU HA H 1 4.40 0.01 A 105 GLU HB2 H 1 2.01 0.01 A 105 GLU HB3 H 1 2.01 0.01 A 105 GLU HGy H 1 2.43 0.01 A 105 GLU HGx H 1 2.34 0.01 A 105 GLU C C 13 176.37 0.1 A 105 GLU CA C 13 54.98 0.1 A 105 GLU CB C 13 29.66 0.1 A 105 GLU CG C 13 36.22 0.1 A 105 GLU N N 15 122.91 0.2 A 106 GLU H H 1 8.89 0.01 A 106 GLU HA H 1 4.72 0.01 A 106 GLU HB2 H 1 2.10 0.01 A 106 GLU HB3 H 1 2.10 0.01 A 106 GLU HG2 H 1 2.61 0.01 A 106 GLU HG3 H 1 2.61 0.01 A 106 GLU C C 13 175.92 0.1 A 106 GLU CA C 13 58.38 0.1 A 106 GLU CB C 13 30.15 0.1 A 106 GLU CG C 13 37.61 0.1 A 106 GLU N N 15 121.62 0.2 A 107 ARG H H 1 8.97 0.01 A 107 ARG HA H 1 4.93 0.01 A 107 ARG HBy H 1 2.05 0.01 A 107 ARG HBx H 1 1.83 0.01 A 107 ARG HDy H 1 3.18 0.01 A 107 ARG HDx H 1 2.91 0.01 A 107 ARG HGy H 1 1.75 0.01 A 107 ARG HGx H 1 1.51 0.01 A 107 ARG C C 13 174.50 0.1 A 107 ARG CA C 13 54.32 0.1 A 107 ARG CB C 13 32.73 0.1 A 107 ARG CD C 13 43.43 0.1 A 107 ARG N N 15 125.15 0.2 A 108 GLN H H 1 8.79 0.01 A 108 GLN HA H 1 4.66 0.01 A 108 GLN HBy H 1 2.00 0.01 A 108 GLN HBx H 1 1.98 0.01 A 108 GLN HE21 H 1 7.64 0.01 A 108 GLN HE22 H 1 6.92 0.01 A 108 GLN HG2 H 1 2.23 0.01 A 108 GLN HG3 H 1 2.23 0.01 A 108 GLN C C 13 176.13 0.1 A 108 GLN CA C 13 55.00 0.1 A 108 GLN CB C 13 29.15 0.1 A 108 GLN CG C 13 33.66 0.1 A 108 GLN N N 15 122.35 0.2 A 108 GLN NE2 N 15 113.25 0.2 A 109 ASP H H 1 8.98 0.01 A 109 ASP HA H 1 4.52 0.01 A 109 ASP HBy H 1 2.54 0.01 A 109 ASP HBx H 1 2.51 0.01 A 109 ASP C C 13 176.29 0.1 A 109 ASP CA C 13 52.23 0.1 A 109 ASP CB C 13 41.42 0.1 A 109 ASP N N 15 128.19 0.2 A 110 GLU H H 1 9.04 0.01 A 110 GLU HA H 1 4.83 0.01 A 110 GLU HB2 H 1 2.60 0.01 A 110 GLU HB3 H 1 2.60 0.01 A 110 GLU HG2 H 1 2.83 0.01 A 110 GLU HG3 H 1 2.83 0.01 A 110 GLU C C 13 176.72 0.1 A 110 GLU CA C 13 58.44 0.1 A 110 GLU CB C 13 28.13 0.1 A 110 GLU N N 15 116.22 0.2 A 111 HIS H H 1 7.85 0.01 A 111 HIS HA H 1 4.96 0.01 A 111 HIS HBy H 1 3.39 0.01 A 111 HIS HBx H 1 2.91 0.01 A 111 HIS HD2 H 1 6.98 0.01 A 111 HIS HE1 H 1 7.77 0.01 A 111 HIS C C 13 175.66 0.1 A 111 HIS CA C 13 55.92 0.1 A 111 HIS CB C 13 32.46 0.1 A 111 HIS CD2 C 13 118.80 0.1 A 111 HIS CE1 C 13 138.96 0.1 A 111 HIS N N 15 115.83 0.2 A 111 HIS ND1 N 15 235.40 0.2 A 111 HIS NE2 N 15 174.97 0.2 A 112 GLY H H 1 7.50 0.01 A 112 GLY HAy H 1 4.77 0.01 A 112 GLY HAx H 1 3.65 0.01 A 112 GLY C C 13 170.78 0.1 A 112 GLY CA C 13 45.97 0.1 A 112 GLY N N 15 107.87 0.2 A 113 PHE H H 1 8.71 0.01 A 113 PHE HA H 1 5.53 0.01 A 113 PHE HBy H 1 2.91 0.01 A 113 PHE HBx H 1 2.68 0.01 A 113 PHE HD1 H 1 7.01 0.01 A 113 PHE HD2 H 1 7.01 0.01 A 113 PHE HE1 H 1 7.34 0.01 A 113 PHE HE2 H 1 7.34 0.01 A 113 PHE C C 13 175.42 0.1 A 113 PHE CA C 13 56.66 0.1 A 113 PHE CB C 13 42.81 0.1 A 113 PHE CD1 C 13 132.03 0.1 A 113 PHE CD2 C 13 132.03 0.1 A 113 PHE CE1 C 13 131.12 0.1 A 113 PHE CE2 C 13 131.12 0.1 A 113 PHE N N 15 122.11 0.2 A 114 ILE H H 1 9.52 0.01 A 114 ILE HA H 1 5.79 0.01 A 114 ILE HB H 1 2.10 0.01 A 114 ILE HD1% H 1 1.00 0.01 A 114 ILE HG1x H 1 1.39 0.01 A 114 ILE HG1y H 1 1.70 0.01 A 114 ILE HG2% H 1 0.90 0.01 A 114 ILE C C 13 172.89 0.1 A 114 ILE CA C 13 57.49 0.1 A 114 ILE CB C 13 41.63 0.1 A 114 ILE CD1 C 13 15.20 0.1 A 114 ILE CG2 C 13 14.30 0.1 A 114 ILE N N 15 120.97 0.2 A 115 SER H H 1 8.93 0.01 A 115 SER HA H 1 4.45 0.01 A 115 SER HBy H 1 4.19 0.01 A 115 SER HBx H 1 3.60 0.01 A 115 SER C C 13 172.53 0.1 A 115 SER CA C 13 57.49 0.1 A 115 SER CB C 13 66.11 0.1 A 115 SER N N 15 122.24 0.2 A 116 ARG H H 1 6.14 0.01 A 116 ARG HA H 1 5.24 0.01 A 116 ARG HB2 H 1 1.94 0.01 A 116 ARG HB3 H 1 1.94 0.01 A 116 ARG HD2 H 1 3.28 0.01 A 116 ARG HD3 H 1 3.28 0.01 A 116 ARG HG2 H 1 1.46 0.01 A 116 ARG HG3 H 1 1.46 0.01 A 116 ARG C C 13 175.00 0.1 A 116 ARG CA C 13 55.71 0.1 A 116 ARG CB C 13 36.87 0.1 A 116 ARG N N 15 115.96 0.2 A 117 GLU H H 1 9.05 0.01 A 117 GLU HA H 1 5.40 0.01 A 117 GLU HBy H 1 2.11 0.01 A 117 GLU HBx H 1 2.02 0.01 A 117 GLU HG2 H 1 2.20 0.01 A 117 GLU HG3 H 1 2.20 0.01 A 117 GLU C C 13 174.55 0.1 A 117 GLU CA C 13 54.71 0.1 A 117 GLU CB C 13 32.84 0.1 A 117 GLU N N 15 119.95 0.2 A 118 PHE H H 1 9.26 0.01 A 118 PHE HA H 1 5.52 0.01 A 118 PHE HB2 H 1 3.26 0.01 A 118 PHE HB3 H 1 3.26 0.01 A 118 PHE HD1 H 1 7.10 0.01 A 118 PHE HD2 H 1 7.10 0.01 A 118 PHE HE1 H 1 6.58 0.01 A 118 PHE HE2 H 1 6.58 0.01 A 118 PHE HZ H 1 7.38 0.01 A 118 PHE C C 13 172.40 0.1 A 118 PHE CA C 13 56.92 0.1 A 118 PHE CB C 13 42.17 0.1 A 118 PHE CE1 C 13 130.30 0.1 A 118 PHE CE2 C 13 130.30 0.1 A 118 PHE N N 15 122.69 0.2 A 119 HIS H H 1 8.40 0.01 A 119 HIS HA H 1 5.12 0.01 A 119 HIS HBy H 1 3.08 0.01 A 119 HIS HBx H 1 2.99 0.01 A 119 HIS HD2 H 1 6.85 0.01 A 119 HIS HE1 H 1 7.72 0.01 A 119 HIS C C 13 173.73 0.1 A 119 HIS CA C 13 55.28 0.1 A 119 HIS CB C 13 32.20 0.1 A 119 HIS CD2 C 13 117.50 0.1 A 119 HIS N N 15 118.87 0.2 A 119 HIS ND1 N 15 210.00 0.2 A 119 HIS NE2 N 15 180.20 0.2 A 120 ARG H H 1 9.63 0.01 A 120 ARG HA H 1 5.48 0.01 A 120 ARG HB2 H 1 1.73 0.01 A 120 ARG HB3 H 1 1.73 0.01 A 120 ARG HD2 H 1 3.39 0.01 A 120 ARG HD3 H 1 3.39 0.01 A 120 ARG HG2 H 1 1.55 0.01 A 120 ARG HG3 H 1 1.55 0.01 A 120 ARG CA C 13 53.20 0.1 A 120 ARG CB C 13 32.82 0.1 A 120 ARG CD C 13 43.17 0.1 A 120 ARG CG C 13 26.68 0.1 A 120 ARG N N 15 128.51 0.2 A 121 LYS H H 1 8.95 0.01 A 121 LYS HA H 1 5.58 0.01 A 121 LYS HB2 H 1 1.64 0.01 A 121 LYS HB3 H 1 1.64 0.01 A 121 LYS HE2 H 1 3.00 0.01 A 121 LYS HE3 H 1 3.00 0.01 A 121 LYS HG2 H 1 1.39 0.01 A 121 LYS HG3 H 1 1.39 0.01 A 121 LYS C C 13 175.80 0.1 A 121 LYS CA C 13 54.90 0.1 A 121 LYS CB C 13 29.20 0.1 A 121 LYS N N 15 123.65 0.2 A 122 TYR H H 1 9.43 0.01 A 122 TYR HA H 1 5.13 0.01 A 122 TYR HBy H 1 3.20 0.01 A 122 TYR HBx H 1 2.75 0.01 A 122 TYR HD1 H 1 7.03 0.01 A 122 TYR HD2 H 1 7.03 0.01 A 122 TYR HE1 H 1 6.54 0.01 A 122 TYR HE2 H 1 6.54 0.01 A 122 TYR C C 13 175.31 0.1 A 122 TYR CA C 13 56.80 0.1 A 122 TYR CB C 13 41.48 0.1 A 122 TYR CD1 C 13 130.50 0.1 A 122 TYR CD2 C 13 130.50 0.1 A 122 TYR CE1 C 13 117.02 0.1 A 122 TYR CE2 C 13 117.02 0.1 A 122 TYR N N 15 121.60 0.2 A 123 ARG H H 1 8.89 0.01 A 123 ARG HA H 1 4.79 0.01 A 123 ARG HBy H 1 1.89 0.01 A 123 ARG HBx H 1 1.72 0.01 A 123 ARG HD2 H 1 3.21 0.01 A 123 ARG HD3 H 1 3.21 0.01 A 123 ARG HG2 H 1 1.63 0.01 A 123 ARG HG3 H 1 1.63 0.01 A 123 ARG C C 13 175.81 0.1 A 123 ARG CA C 13 55.81 0.1 A 123 ARG CB C 13 29.78 0.1 A 123 ARG CD C 13 42.99 0.1 A 123 ARG CG C 13 26.75 0.1 A 123 ARG N N 15 123.09 0.2 A 124 ILE H H 1 8.43 0.01 A 124 ILE HA H 1 3.74 0.01 A 124 ILE HB H 1 1.80 0.01 A 124 ILE HD1% H 1 0.54 0.01 A 124 ILE HG12 H 1 1.56 0.01 A 124 ILE HG13 H 1 1.56 0.01 A 124 ILE HG2% H 1 0.70 0.01 A 124 ILE CA C 13 59.66 0.1 A 124 ILE CB C 13 38.23 0.1 A 124 ILE CD1 C 13 14.00 0.1 A 124 ILE N N 15 126.42 0.2 A 125 PRO HA H 1 4.30 0.01 A 125 PRO HB2 H 1 2.29 0.01 A 125 PRO HB3 H 1 2.29 0.01 A 125 PRO HDy H 1 3.39 0.01 A 125 PRO HDx H 1 2.45 0.01 A 125 PRO HGy H 1 2.03 0.01 A 125 PRO HGx H 1 1.93 0.01 A 125 PRO C C 13 176.49 0.1 A 125 PRO CA C 13 62.61 0.1 A 125 PRO CB C 13 31.97 0.1 A 125 PRO CD C 13 50.00 0.1 A 125 PRO CG C 13 26.98 0.1 A 126 ALA H H 1 8.45 0.01 A 126 ALA HA H 1 4.11 0.01 A 126 ALA HB% H 1 1.40 0.01 A 126 ALA C C 13 177.71 0.1 A 126 ALA CA C 13 54.38 0.1 A 126 ALA CB C 13 18.32 0.1 A 126 ALA N N 15 121.43 0.2 A 127 ASP H H 1 8.16 0.01 A 127 ASP HA H 1 4.51 0.01 A 127 ASP HBy H 1 3.12 0.01 A 127 ASP HBx H 1 2.46 0.01 A 127 ASP C C 13 173.80 0.1 A 127 ASP CA C 13 52.81 0.1 A 127 ASP CB C 13 38.82 0.1 A 127 ASP N N 15 113.06 0.2 A 128 VAL H H 1 7.46 0.01 A 128 VAL HA H 1 4.12 0.01 A 128 VAL HB H 1 2.09 0.01 A 128 VAL HGx% H 1 0.94 0.01 A 128 VAL HGy% H 1 0.56 0.01 A 128 VAL C C 13 174.32 0.1 A 128 VAL CA C 13 61.20 0.1 A 128 VAL CB C 13 32.75 0.1 A 128 VAL CGy C 13 21.35 0.1 A 128 VAL CGx C 13 20.55 0.1 A 128 VAL N N 15 119.97 0.2 A 129 ASP H H 1 8.78 0.01 A 129 ASP HA H 1 4.83 0.01 A 129 ASP HBy H 1 2.88 0.01 A 129 ASP HBx H 1 2.49 0.01 A 129 ASP CA C 13 51.10 0.1 A 129 ASP CB C 13 41.40 0.1 A 129 ASP N N 15 127.56 0.2 A 130 PRO HA H 1 4.18 0.01 A 130 PRO HB2 H 1 2.39 0.01 A 130 PRO HB3 H 1 2.39 0.01 A 130 PRO HD2 H 1 3.68 0.01 A 130 PRO HD3 H 1 3.68 0.01 A 130 PRO HG2 H 1 2.10 0.01 A 130 PRO HG3 H 1 2.10 0.01 A 130 PRO C C 13 177.80 0.1 A 130 PRO CA C 13 64.57 0.1 A 130 PRO CB C 13 32.66 0.1 A 130 PRO CG C 13 27.17 0.1 A 131 LEU H H 1 8.35 0.01 A 131 LEU HA H 1 4.25 0.01 A 131 LEU HB2 H 1 1.63 0.01 A 131 LEU HB3 H 1 1.63 0.01 A 131 LEU HDx% H 1 0.98 0.01 A 131 LEU HDy% H 1 0.86 0.01 A 131 LEU HG H 1 1.37 0.01 A 131 LEU C C 13 178.82 0.1 A 131 LEU CA C 13 56.29 0.1 A 131 LEU CB C 13 40.29 0.1 A 131 LEU CD1 C 13 21.98 0.1 A 131 LEU CD2 C 13 21.98 0.1 A 131 LEU CG C 13 24.46 0.1 A 131 LEU N N 15 115.01 0.2 A 132 THR H H 1 8.02 0.01 A 132 THR HA H 1 4.48 0.01 A 132 THR HB H 1 4.54 0.01 A 132 THR HG1 H 1 5.90 0.01 A 132 THR HG2% H 1 1.15 0.01 A 132 THR C C 13 173.77 0.1 A 132 THR CA C 13 60.57 0.1 A 132 THR CB C 13 69.42 0.1 A 132 THR CG2 C 13 21.82 0.1 A 132 THR N N 15 107.06 0.2 A 133 ILE H H 1 6.92 0.01 A 133 ILE HA H 1 4.78 0.01 A 133 ILE HB H 1 2.14 0.01 A 133 ILE HD1% H 1 0.78 0.01 A 133 ILE HG12 H 1 1.22 0.01 A 133 ILE HG13 H 1 1.22 0.01 A 133 ILE HG2% H 1 0.91 0.01 A 133 ILE C C 13 176.74 0.1 A 133 ILE CA C 13 59.95 0.1 A 133 ILE CB C 13 36.93 0.1 A 133 ILE CD1 C 13 13.10 0.1 A 133 ILE CG1 C 13 27.40 0.1 A 133 ILE CG2 C 13 17.76 0.1 A 133 ILE N N 15 122.06 0.2 A 134 THR H H 1 9.18 0.01 A 134 THR HA H 1 4.76 0.01 A 134 THR HB H 1 4.28 0.01 A 134 THR HG2% H 1 1.19 0.01 A 134 THR C C 13 172.29 0.1 A 134 THR CA C 13 60.28 0.1 A 134 THR CB C 13 72.19 0.1 A 134 THR CG2 C 13 21.14 0.1 A 134 THR N N 15 120.16 0.2 A 135 SER H H 1 8.41 0.01 A 135 SER HA H 1 5.62 0.01 A 135 SER HBy H 1 3.72 0.01 A 135 SER HBx H 1 3.64 0.01 A 135 SER C C 13 173.69 0.1 A 135 SER CA C 13 57.02 0.1 A 135 SER CB C 13 67.06 0.1 A 135 SER N N 15 113.28 0.2 A 136 SER H H 1 8.85 0.01 A 136 SER HA H 1 4.67 0.01 A 136 SER HBy H 1 3.30 0.01 A 136 SER HBx H 1 3.02 0.01 A 136 SER C C 13 171.51 0.1 A 136 SER CA C 13 57.78 0.1 A 136 SER CB C 13 65.29 0.1 A 136 SER N N 15 114.66 0.2 A 137 LEU H H 1 8.61 0.01 A 137 LEU HA H 1 5.20 0.01 A 137 LEU HB2 H 1 1.80 0.01 A 137 LEU HB3 H 1 1.80 0.01 A 137 LEU HD1% H 1 0.79 0.01 A 137 LEU HD2% H 1 0.79 0.01 A 137 LEU HG H 1 1.60 0.01 A 137 LEU C C 13 176.57 0.1 A 137 LEU CA C 13 53.21 0.1 A 137 LEU CB C 13 43.86 0.1 A 137 LEU CDy C 13 23.77 0.1 A 137 LEU CDx C 13 23.15 0.1 A 137 LEU CG C 13 25.30 0.1 A 137 LEU N N 15 126.37 0.2 A 138 SER H H 1 8.91 0.01 A 138 SER HA H 1 4.72 0.01 A 138 SER HB2 H 1 3.83 0.01 A 138 SER HB3 H 1 3.83 0.01 A 138 SER C C 13 173.77 0.1 A 138 SER CA C 13 57.24 0.1 A 138 SER CB C 13 63.93 0.1 A 138 SER N N 15 122.88 0.2 A 139 SER HA H 1 4.83 0.01 A 139 SER HBy H 1 4.08 0.01 A 139 SER HBx H 1 3.98 0.01 A 139 SER C C 13 174.62 0.1 A 139 SER CA C 13 62.60 0.1 A 139 SER CB C 13 63.10 0.1 A 140 ASP H H 1 8.05 0.01 A 140 ASP HA H 1 4.79 0.01 A 140 ASP HB2 H 1 2.65 0.01 A 140 ASP HB3 H 1 2.65 0.01 A 140 ASP C C 13 176.03 0.1 A 140 ASP CA C 13 53.13 0.1 A 140 ASP CB C 13 40.45 0.1 A 140 ASP N N 15 117.57 0.2 A 141 GLY H H 1 7.86 0.01 A 141 GLY HAy H 1 4.00 0.01 A 141 GLY HAx H 1 3.60 0.01 A 141 GLY C C 13 172.02 0.1 A 141 GLY CA C 13 47.11 0.1 A 141 GLY N N 15 107.87 0.2 A 142 VAL H H 1 7.56 0.01 A 142 VAL HA H 1 4.51 0.01 A 142 VAL HB H 1 1.91 0.01 A 142 VAL HG1% H 1 0.70 0.01 A 142 VAL HG2% H 1 0.70 0.01 A 142 VAL C C 13 176.02 0.1 A 142 VAL CA C 13 61.65 0.1 A 142 VAL CB C 13 32.44 0.1 A 142 VAL CGy C 13 20.97 0.1 A 142 VAL CGx C 13 20.40 0.1 A 142 VAL N N 15 118.04 0.2 A 143 LEU H H 1 9.46 0.01 A 143 LEU HA H 1 5.11 0.01 A 143 LEU HBy H 1 2.01 0.01 A 143 LEU HBx H 1 1.44 0.01 A 143 LEU HDx% H 1 0.89 0.01 A 143 LEU HDy% H 1 0.80 0.01 A 143 LEU HG H 1 1.35 0.01 A 143 LEU C C 13 174.99 0.1 A 143 LEU CA C 13 55.81 0.1 A 143 LEU CB C 13 43.82 0.1 A 143 LEU CDy C 13 23.53 0.1 A 143 LEU CDx C 13 23.11 0.1 A 143 LEU CG C 13 26.54 0.1 A 143 LEU N N 15 134.43 0.2 A 144 THR H H 1 9.30 0.01 A 144 THR HA H 1 5.26 0.01 A 144 THR HB H 1 3.75 0.01 A 144 THR HG1 H 1 5.62 0.01 A 144 THR HG2% H 1 1.01 0.01 A 144 THR C C 13 173.98 0.1 A 144 THR CA C 13 61.62 0.1 A 144 THR CB C 13 70.68 0.1 A 144 THR CG2 C 13 21.26 0.1 A 144 THR N N 15 123.82 0.2 A 145 VAL H H 1 8.82 0.01 A 145 VAL HA H 1 4.76 0.01 A 145 VAL HB H 1 1.70 0.01 A 145 VAL HGx% H 1 0.82 0.01 A 145 VAL HGy% H 1 0.65 0.01 A 145 VAL C C 13 173.52 0.1 A 145 VAL CA C 13 61.16 0.1 A 145 VAL CB C 13 32.45 0.1 A 145 VAL CGy C 13 21.86 0.1 A 145 VAL CGx C 13 20.39 0.1 A 145 VAL N N 15 127.57 0.2 A 146 ASP H H 1 9.04 0.01 A 146 ASP HA H 1 5.40 0.01 A 146 ASP HBy H 1 2.56 0.01 A 146 ASP HBx H 1 2.37 0.01 A 146 ASP C C 13 174.79 0.1 A 146 ASP CA C 13 53.00 0.1 A 146 ASP CB C 13 46.03 0.1 A 146 ASP N N 15 122.24 0.2 A 147 GLY H H 1 8.56 0.01 A 147 GLY HAy H 1 4.60 0.01 A 147 GLY HAx H 1 3.65 0.01 A 147 GLY CA C 13 45.41 0.1 A 147 GLY N N 15 106.47 0.2 A 148 PRO HA H 1 4.37 0.01 A 148 PRO HB2 H 1 2.30 0.01 A 148 PRO HB3 H 1 2.30 0.01 A 148 PRO HD2 H 1 3.83 0.01 A 148 PRO HD3 H 1 3.83 0.01 A 148 PRO HG2 H 1 1.87 0.01 A 148 PRO HG3 H 1 1.87 0.01 A 148 PRO C C 13 176.62 0.1 A 148 PRO CA C 13 62.07 0.1 A 148 PRO CB C 13 31.95 0.1 A 148 PRO CG C 13 25.47 0.1 A 149 ARG H H 1 8.09 0.01 A 149 ARG HA H 1 4.12 0.01 A 149 ARG HB2 H 1 1.79 0.01 A 149 ARG HB3 H 1 1.79 0.01 A 149 ARG HD2 H 1 3.18 0.01 A 149 ARG HD3 H 1 3.18 0.01 A 149 ARG HG2 H 1 1.57 0.01 A 149 ARG HG3 H 1 1.57 0.01 A 149 ARG C C 13 176.84 0.1 A 149 ARG CA C 13 54.54 0.1 A 149 ARG CB C 13 30.89 0.1 A 149 ARG CD C 13 43.45 0.1 A 149 ARG CG C 13 27.23 0.1 A 149 ARG N N 15 119.79 0.2 A 150 LYS H H 1 8.89 0.01 A 150 LYS HA H 1 4.28 0.01 A 150 LYS HB2 H 1 1.84 0.01 A 150 LYS HB3 H 1 1.84 0.01 A 150 LYS HD2 H 1 1.70 0.01 A 150 LYS HD3 H 1 1.70 0.01 A 150 LYS HE2 H 1 3.10 0.01 A 150 LYS HE3 H 1 3.10 0.01 A 150 LYS HG2 H 1 1.39 0.01 A 150 LYS HG3 H 1 1.39 0.01 A 150 LYS C C 13 176.17 0.1 A 150 LYS CA C 13 56.65 0.1 A 150 LYS CB C 13 32.81 0.1 A 150 LYS CD C 13 28.76 0.1 A 150 LYS CE C 13 42.06 0.1 A 150 LYS CG C 13 24.25 0.1 A 150 LYS N N 15 123.86 0.2 A 151 GLN H H 1 8.60 0.01 A 151 GLN HA H 1 4.43 0.01 A 151 GLN HB2 H 1 1.96 0.01 A 151 GLN HB3 H 1 1.96 0.01 A 151 GLN HE21 H 1 7.44 0.01 A 151 GLN HE22 H 1 6.75 0.01 A 151 GLN HG2 H 1 2.14 0.01 A 151 GLN HG3 H 1 2.14 0.01 A 151 GLN C C 13 175.17 0.1 A 151 GLN CA C 13 55.72 0.1 A 151 GLN CB C 13 29.37 0.1 A 151 GLN CG C 13 33.73 0.1 A 151 GLN N N 15 123.11 0.2 A 151 GLN NE2 N 15 111.40 0.2 A 152 VAL H H 1 7.86 0.01 A 152 VAL HA H 1 4.07 0.01 A 152 VAL HB H 1 2.11 0.01 A 152 VAL HG1% H 1 0.87 0.01 A 152 VAL HG2% H 1 0.87 0.01 A 152 VAL CA C 13 63.65 0.1 A 152 VAL CB C 13 32.71 0.1 A 152 VAL CG1 C 13 21.29 0.1 A 152 VAL CG2 C 13 21.29 0.1 A 152 VAL N N 15 125.73 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 66 SER HA A 66 SER HBx 1.0 2.06 3.09 2 2 A 66 SER HA A 66 SER HBy 1.0 2.07 3.10 3 3 A 66 SER HBx A 66 SER H 1.0 3.01 4.51 4 4 A 66 SER HA A 79 LEU HDx% 1.0 3.72 5.59 5 4 A 66 SER HA A 79 LEU HDy% 1.0 3.72 5.59 6 5 A 67 GLU HA A 67 GLU H 1.0 1.80 2.68 7 6 A 67 GLU HG3 A 67 GLU H 1.0 2.00 3.00 8 6 A 67 GLU H A 67 GLU HG2 1.0 2.00 3.00 9 7 A 68 MET HA A 68 MET HGy 1.0 2.56 3.84 10 7 A 68 MET HA A 68 MET HGx 1.0 2.56 3.84 11 8 A 68 MET HGx A 68 MET H 1.0 2.76 4.14 12 8 A 68 MET H A 68 MET HGy 1.0 2.76 4.14 13 9 A 68 MET HE% A 68 MET H 1.0 3.19 4.79 14 10 A 68 MET HA A 68 MET H 1.0 2.68 4.03 15 11 A 68 MET HGx A 69 ARG H 1.0 2.99 4.49 16 11 A 69 ARG H A 68 MET HGy 1.0 2.99 4.49 17 12 A 68 MET HE% A 70 LEU HDx% 1.0 3.32 4.98 18 12 A 68 MET HE% A 70 LEU HDy% 1.0 3.32 4.98 19 13 A 68 MET HE% A 122 TYR HE% 1.0 3.72 5.58 20 14 A 68 MET HE% A 122 TYR HD% 1.0 3.21 4.82 21 15 A 69 ARG HA A 70 LEU H 1.0 1.91 2.86 22 16 A 70 LEU HBx A 70 LEU H 1.0 2.48 3.72 23 17 A 70 LEU HBy A 70 LEU H 1.0 1.99 2.98 24 18 A 70 LEU HDy% A 70 LEU H 1.0 3.82 4.78 25 18 A 70 LEU H A 70 LEU HDx% 1.0 3.82 4.78 26 19 A 70 LEU HDy% A 70 LEU H 1.0 3.82 5.00 27 19 A 70 LEU H A 70 LEU HDx% 1.0 3.82 5.00 28 20 A 70 LEU HBy A 71 GLU H 1.0 2.06 3.10 29 21 A 70 LEU HDy% A 71 GLU H 1.0 2.74 4.11 30 21 A 71 GLU H A 70 LEU HDx% 1.0 2.74 4.11 31 22 A 70 LEU HBy A 74 ARG H 1.0 2.54 3.81 32 23 A 70 LEU HBx A 74 ARG H 1.0 2.47 3.70 33 24 A 69 ARG HG3 A 71 GLU H 1.0 2.06 3.09 34 24 A 71 GLU H A 69 ARG HG2 1.0 2.06 3.09 35 25 A 71 GLU HG3 A 71 GLU H 1.0 2.78 4.17 36 25 A 71 GLU H A 71 GLU HG2 1.0 2.78 4.17 37 26 A 71 GLU H A 76 SER H 1.0 2.72 4.08 38 27 A 71 GLU HA A 72 LYS H 1.0 2.55 3.82 39 28 A 72 LYS HA A 72 LYS H 1.0 2.84 4.26 40 29 A 72 LYS HB3 A 72 LYS H 1.0 2.44 3.66 41 29 A 72 LYS H A 72 LYS HB2 1.0 2.44 3.66 42 30 A 72 LYS HG3 A 72 LYS H 1.0 2.90 4.35 43 30 A 72 LYS H A 72 LYS HG2 1.0 2.90 4.35 44 31 A 72 LYS HB3 A 73 ASP H 1.0 2.41 3.62 45 31 A 73 ASP H A 72 LYS HB2 1.0 2.41 3.62 46 32 A 72 LYS H A 73 ASP H 1.0 3.01 4.51 47 33 A 73 ASP HA A 73 ASP H 1.0 2.43 3.65 48 34 A 73 ASP HB3 A 73 ASP H 1.0 2.37 3.55 49 34 A 73 ASP H A 73 ASP HB2 1.0 2.37 3.55 50 35 A 74 ARG HBx A 73 ASP H 1.0 3.02 4.53 51 36 A 74 ARG H A 73 ASP HB2 1.0 2.64 3.95 52 36 A 73 ASP HB3 A 74 ARG H 1.0 2.64 3.95 53 37 A 73 ASP H A 74 ARG H 1.0 2.48 3.67 54 38 A 73 ASP H A 74 ARG H 1.0 2.48 3.72 55 39 A 74 ARG HGx A 73 ASP H 1.0 2.66 4.00 56 39 A 73 ASP H A 74 ARG HGy 1.0 2.66 4.00 57 40 A 73 ASP HA A 74 ARG H 1.0 2.20 3.30 58 41 A 74 ARG HGx A 74 ARG H 1.0 2.34 3.51 59 41 A 74 ARG H A 74 ARG HGy 1.0 2.34 3.51 60 42 A 74 ARG HBy A 74 ARG H 1.0 3.06 4.59 61 43 A 74 ARG H A 75 PHE H 1.0 2.93 4.84 62 44 A 74 ARG H A 75 PHE H 1.0 2.93 4.40 63 45 A 75 PHE HA A 74 ARG HGy 1.0 2.91 4.37 64 45 A 74 ARG HGx A 75 PHE HA 1.0 2.91 4.37 65 46 A 75 PHE HA A 75 PHE HBx 1.0 2.75 4.12 66 47 A 75 PHE HA A 75 PHE HD% 1.0 2.94 4.41 67 48 A 75 PHE HA A 75 PHE HBy 1.0 2.71 4.07 68 49 A 75 PHE HA A 75 PHE H 1.0 2.83 4.24 69 50 A 75 PHE HD% A 75 PHE H 1.0 3.38 5.00 70 51 A 75 PHE HA A 76 SER H 1.0 2.41 3.62 71 52 A 75 PHE HE% A 98 ILE HD1% 1.0 3.68 5.51 72 53 A 75 PHE HE% A 133 ILE HD1% 1.0 3.43 5.14 73 54 A 75 PHE HD% A 146 ASP HBy 1.0 3.78 5.67 74 55 A 75 PHE HD% A 146 ASP HBx 1.0 3.81 5.71 75 56 A 75 PHE HD% A 148 PRO HA 1.0 3.55 5.33 76 57 A 75 PHE H A 149 ARG H 1.0 3.38 5.00 77 58 A 75 PHE HD% A 76 SER HBy 1.0 3.83 5.74 78 59 A 75 PHE HD% A 76 SER HBx 1.0 3.92 5.89 79 60 A 76 SER HBy A 76 SER HA 1.0 2.34 3.51 80 61 A 76 SER HBx A 76 SER HA 1.0 2.40 3.60 81 62 A 76 SER HBy A 76 SER H 1.0 3.20 4.80 82 63 A 76 SER HBx A 77 VAL H 1.0 3.03 4.55 83 64 A 76 SER HBy A 77 VAL H 1.0 2.89 4.34 84 65 A 76 SER HBx A 144 THR HG2% 1.0 3.46 5.19 85 66 A 76 SER HBy A 144 THR HG2% 1.0 3.30 4.95 86 67 A 146 ASP HBx A 76 SER HBx 1.0 2.84 4.39 87 68 A 146 ASP HBy A 76 SER HBy 1.0 2.78 4.31 88 69 A 76 SER HBy A 146 ASP HA 1.0 2.77 4.21 89 70 A 146 ASP HBx A 76 SER HBx 1.0 2.84 4.32 90 71 A 146 ASP HBx A 76 SER HBy 1.0 2.80 4.28 91 72 A 146 ASP HBx A 76 SER HBy 1.0 2.80 4.21 92 73 A 146 ASP HBx A 76 SER HBx 1.0 2.84 4.26 93 74 A 76 SER HA A 146 ASP HA 1.0 2.39 3.48 94 75 A 146 ASP HBy A 76 SER HBy 1.0 2.78 4.17 95 76 A 76 SER HBy A 146 ASP HA 1.0 2.77 4.16 96 77 A 146 ASP HBy A 76 SER HBx 1.0 2.78 4.17 97 78 A 76 SER HA A 146 ASP HA 1.0 2.39 3.58 98 79 A 68 MET HE% A 77 VAL HGy% 1.0 3.48 6.32 99 80 A 68 MET HA A 77 VAL HA 1.0 2.51 3.77 100 81 A 68 MET HE% A 77 VAL HGx% 1.0 4.01 6.02 101 82 A 68 MET HA A 77 VAL HGy% 1.0 3.40 5.10 102 83 A 68 MET HA A 77 VAL HGx% 1.0 3.73 5.59 103 84 A 68 MET HE% A 77 VAL HGy% 1.0 3.48 5.22 104 85 A 75 PHE HD% A 77 VAL HB 1.0 3.80 5.71 105 86 A 77 VAL HGy% A 75 PHE HZ 1.0 3.41 5.11 106 87 A 75 PHE HD% A 77 VAL HGy% 1.0 3.38 5.07 107 88 A 76 SER HA A 77 VAL HGx% 1.0 1.80 5.00 108 89 A 77 VAL HGy% A 77 VAL HA 1.0 3.01 4.74 109 90 A 77 VAL HA A 77 VAL HB 1.0 2.67 4.12 110 91 A 77 VAL HGx% A 77 VAL HB 1.0 2.91 4.37 111 92 A 77 VAL HA A 77 VAL HGx% 1.0 3.09 4.46 112 93 A 77 VAL HA A 77 VAL HGx% 1.0 3.09 4.64 113 94 A 77 VAL HA A 77 VAL HB 1.0 2.67 4.00 114 95 A 77 VAL HGy% A 77 VAL HA 1.0 3.01 4.52 115 96 A 77 VAL HGy% A 77 VAL HB 1.0 3.07 4.60 116 97 A 77 VAL HGy% A 77 VAL H 1.0 3.31 4.97 117 98 A 77 VAL HGx% A 77 VAL H 1.0 3.81 5.00 118 99 A 77 VAL HGy% A 78 ASN HBx 1.0 3.30 4.95 119 100 A 77 VAL HGx% A 78 ASN HBx 1.0 3.58 5.36 120 101 A 77 VAL HA A 78 ASN HBx 1.0 3.18 4.77 121 102 A 77 VAL HGx% A 78 ASN H 1.0 2.95 4.42 122 103 A 77 VAL H A 78 ASN H 1.0 2.80 4.20 123 104 A 77 VAL HGy% A 79 LEU HB2 1.0 2.99 4.49 124 104 A 77 VAL HGy% A 79 LEU HB3 1.0 2.99 4.49 125 105 A 77 VAL HGy% A 79 LEU HG 1.0 2.83 4.25 126 106 A 77 VAL HGx% A 79 LEU HB2 1.0 3.25 4.88 127 106 A 77 VAL HGx% A 79 LEU HB3 1.0 3.25 4.88 128 107 A 77 VAL HGx% A 79 LEU HG 1.0 2.69 4.03 129 108 A 77 VAL HGx% A 79 LEU H 1.0 4.00 5.00 130 109 A 77 VAL HGy% A 79 LEU H 1.0 4.00 5.00 131 110 A 98 ILE HD1% A 77 VAL HGx% 1.0 4.02 6.02 132 111 A 122 TYR HE% A 77 VAL HGx% 1.0 3.65 5.48 133 112 A 122 TYR HD% A 77 VAL HGx% 1.0 3.60 5.40 134 113 A 77 VAL HB A 145 VAL HGy% 1.0 3.18 4.76 135 114 A 77 VAL HGy% A 145 VAL HGx% 1.0 4.08 6.11 136 115 A 77 VAL HGx% A 145 VAL H 1.0 3.84 5.00 137 116 A 77 VAL H A 145 VAL H 1.0 3.00 4.51 138 117 A 77 VAL HGy% A 145 VAL H 1.0 3.54 5.00 139 118 A 146 ASP HBx A 77 VAL HB 1.0 3.13 4.70 140 119 A 146 ASP HBy A 77 VAL HB 1.0 3.19 4.78 141 120 A 78 ASN HA A 78 ASN HBy 1.0 2.70 4.06 142 121 A 78 ASN HBx A 78 ASN HA 1.0 2.66 3.99 143 122 A 78 ASN HA A 78 ASN H 1.0 2.84 4.25 144 123 A 78 ASN HBy A 78 ASN H 1.0 2.64 3.96 145 124 A 78 ASN HD21 A 78 ASN HD22 1.0 1.80 2.42 146 125 A 78 ASN HBx A 78 ASN H 1.0 2.51 3.76 147 126 A 78 ASN HD22 A 78 ASN H 1.0 3.36 5.00 148 127 A 78 ASN HA A 79 LEU HDx% 1.0 3.26 4.89 149 127 A 79 LEU HDy% A 78 ASN HA 1.0 3.26 4.89 150 128 A 78 ASN HA A 79 LEU H 1.0 2.47 3.70 151 129 A 78 ASN HBy A 79 LEU H 1.0 2.80 4.21 152 130 A 78 ASN HBx A 79 LEU H 1.0 2.85 4.27 153 131 A 78 ASN HA A 144 THR HA 1.0 2.49 3.81 154 132 A 78 ASN HA A 144 THR HA 1.0 2.49 3.73 155 133 A 78 ASN HA A 145 VAL H 1.0 2.99 4.48 156 134 A 78 ASN H A 79 LEU H 1.0 3.09 4.82 157 135 A 78 ASN H A 79 LEU H 1.0 3.09 4.63 158 136 A 79 LEU HDy% A 78 ASN H 1.0 3.65 5.00 159 136 A 78 ASN H A 79 LEU HDx% 1.0 3.65 5.00 160 137 A 79 LEU HG A 79 LEU HA 1.0 2.20 3.30 161 138 A 79 LEU HA A 79 LEU HDx% 1.0 2.45 3.67 162 138 A 79 LEU HDy% A 79 LEU HA 1.0 2.45 3.67 163 139 A 79 LEU HDy% A 79 LEU H 1.0 2.89 4.51 164 139 A 79 LEU H A 79 LEU HDx% 1.0 2.89 4.51 165 140 A 79 LEU HDy% A 79 LEU H 1.0 2.89 4.34 166 140 A 79 LEU H A 79 LEU HDx% 1.0 2.89 4.34 167 141 A 79 LEU HA A 79 LEU H 1.0 2.83 4.25 168 142 A 79 LEU HDy% A 80 ASP H 1.0 3.07 5.00 169 142 A 80 ASP H A 79 LEU HDx% 1.0 3.07 5.00 170 143 A 79 LEU HG A 80 ASP H 1.0 2.85 4.27 171 144 A 79 LEU HDy% A 80 ASP H 1.0 3.07 4.61 172 144 A 80 ASP H A 79 LEU HDx% 1.0 3.07 4.61 173 145 A 79 LEU H A 80 ASP H 1.0 3.17 4.75 174 146 A 80 ASP HBx A 80 ASP H 1.0 2.60 3.90 175 147 A 80 ASP HA A 80 ASP H 1.0 2.39 3.59 176 148 A 80 ASP HBy A 80 ASP H 1.0 2.67 4.01 177 149 A 80 ASP HA A 81 VAL H 1.0 2.82 4.23 178 150 A 81 VAL HGx% A 79 LEU HB2 1.0 2.87 4.30 179 150 A 79 LEU HB3 A 81 VAL HGx% 1.0 2.87 4.30 180 151 A 79 LEU HG A 81 VAL HGx% 1.0 3.25 4.88 181 152 A 80 ASP HA A 81 VAL HGy% 1.0 2.91 4.37 182 153 A 80 ASP HA A 81 VAL HGx% 1.0 3.29 4.94 183 154 A 81 VAL HGy% A 81 VAL HA 1.0 2.84 4.26 184 155 A 81 VAL HGx% A 81 VAL HA 1.0 2.89 4.34 185 156 A 81 VAL HGx% A 81 VAL H 1.0 2.94 4.41 186 157 A 81 VAL HGy% A 81 VAL H 1.0 2.83 4.25 187 158 A 81 VAL HB A 81 VAL H 1.0 2.26 3.39 188 159 A 82 LYS H A 81 VAL H 1.0 2.79 3.84 189 160 A 82 LYS H A 81 VAL H 1.0 2.79 4.18 190 161 A 82 LYS HA A 81 VAL H 1.0 3.13 4.69 191 162 A 81 VAL HGy% A 82 LYS H 1.0 2.99 4.48 192 163 A 81 VAL HGy% A 83 HIS H 1.0 3.46 5.00 193 164 A 81 VAL HGy% A 84 PHE H 1.0 3.28 4.92 194 165 A 81 VAL HGy% A 118 PHE HD% 1.0 3.34 5.01 195 166 A 81 VAL HGx% A 118 PHE HD% 1.0 3.48 5.23 196 167 A 141 GLY HAx A 81 VAL H 1.0 2.61 3.91 197 168 A 81 VAL HGy% A 143 LEU HA 1.0 3.60 5.41 198 169 A 82 LYS H A 82 LYS HA 1.0 2.68 4.03 199 170 A 81 VAL HB A 83 HIS H 1.0 2.96 4.44 200 171 A 83 HIS H A 82 LYS HG2 1.0 3.12 4.68 201 171 A 82 LYS HG3 A 83 HIS H 1.0 3.12 4.68 202 172 A 83 HIS HA A 83 HIS HBx 1.0 2.99 3.41 203 173 A 83 HIS HA A 83 HIS HD2 1.0 2.83 4.25 204 174 A 83 HIS HA A 83 HIS HBy 1.0 2.67 3.70 205 175 A 83 HIS HA A 83 HIS HBy 1.0 2.67 4.00 206 176 A 83 HIS HD2 A 83 HIS HBy 1.0 3.30 4.95 207 177 A 83 HIS HA A 83 HIS HBx 1.0 2.99 4.48 208 178 A 83 HIS HBy A 83 HIS H 1.0 2.89 4.33 209 179 A 83 HIS HA A 83 HIS H 1.0 2.77 4.16 210 180 A 83 HIS HBx A 83 HIS H 1.0 3.07 4.61 211 181 A 83 HIS HBx A 84 PHE HBy 1.0 3.36 5.03 212 181 A 83 HIS HBx A 84 PHE HBx 1.0 3.36 5.03 213 182 A 84 PHE H A 83 HIS HA 1.0 2.97 4.46 214 183 A 84 PHE H A 83 HIS H 1.0 2.92 4.16 215 184 A 84 PHE H A 83 HIS H 1.0 2.92 4.38 216 185 A 83 HIS HBy A 104 HIS HBx 1.0 3.07 4.61 217 186 A 83 HIS HBx A 104 HIS HBx 1.0 3.46 5.18 218 187 A 83 HIS HBy A 104 HIS HD2 1.0 3.63 5.44 219 188 A 141 GLY HAx A 83 HIS H 1.0 3.10 4.65 220 189 A 81 VAL HB A 84 PHE H 1.0 3.27 4.91 221 190 A 82 LYS H A 84 PHE HE% 1.0 3.52 5.00 222 191 A 82 LYS H A 84 PHE HD% 1.0 3.58 5.00 223 192 A 83 HIS HBy A 84 PHE HD% 1.0 3.43 5.15 224 193 A 83 HIS HA A 84 PHE HD% 1.0 3.28 4.92 225 194 A 84 PHE HD% A 83 HIS H 1.0 3.92 5.00 226 195 A 84 PHE H A 84 PHE HD% 1.0 3.36 5.00 227 196 A 84 PHE H A 84 PHE HBy 1.0 2.99 4.30 228 196 A 84 PHE H A 84 PHE HBx 1.0 2.99 4.30 229 197 A 84 PHE H A 84 PHE HE% 1.0 3.38 5.00 230 198 A 84 PHE H A 84 PHE HBy 1.0 2.99 4.49 231 198 A 84 PHE H A 84 PHE HBx 1.0 2.99 4.49 232 199 A 84 PHE HBx A 85 SER H 1.0 3.03 4.54 233 199 A 85 SER H A 84 PHE HBy 1.0 3.03 4.54 234 200 A 84 PHE HD% A 85 SER H 1.0 3.70 5.00 235 201 A 84 PHE HD% A 89 LEU HA 1.0 3.87 5.81 236 202 A 84 PHE HD% A 104 HIS HA 1.0 3.28 4.92 237 203 A 84 PHE HE% A 116 ARG H 1.0 3.90 5.00 238 204 A 84 PHE H A 85 SER H 1.0 3.28 4.96 239 205 A 84 PHE H A 85 SER H 1.0 3.28 4.92 240 206 A 85 SER HA A 85 SER HBx 1.0 2.30 3.45 241 207 A 85 SER HA A 85 SER HBy 1.0 2.24 3.36 242 208 A 85 SER HBy A 85 SER H 1.0 2.69 4.04 243 209 A 85 SER HBx A 87 GLU HB2 1.0 2.51 3.77 244 209 A 85 SER HBx A 87 GLU HB3 1.0 2.51 3.77 245 210 A 85 SER HBx A 87 GLU HG2 1.0 2.76 4.15 246 210 A 85 SER HBx A 87 GLU HG3 1.0 2.76 4.15 247 211 A 85 SER HBx A 87 GLU H 1.0 2.68 4.02 248 212 A 85 SER HBx A 88 GLU H 1.0 2.99 4.48 249 213 A 85 SER H A 88 GLU H 1.0 3.10 4.60 250 214 A 85 SER H A 88 GLU H 1.0 3.10 4.64 251 215 A 85 SER HBy A 89 LEU H 1.0 3.20 4.81 252 216 A 85 SER HBx A 89 LEU H 1.0 2.86 4.29 253 217 A 84 PHE HD% A 86 PRO HBy 1.0 3.61 5.41 254 217 A 84 PHE HD% A 86 PRO HBx 1.0 3.61 5.41 255 218 A 85 SER HA A 86 PRO HBy 1.0 2.87 4.30 256 218 A 85 SER HA A 86 PRO HBx 1.0 2.87 4.30 257 219 A 89 LEU HDy% A 86 PRO HBy 1.0 2.84 4.26 258 219 A 86 PRO HBx A 89 LEU HDy% 1.0 2.84 4.26 259 220 A 87 GLU HA A 87 GLU H 1.0 2.45 3.67 260 221 A 87 GLU HG3 A 87 GLU H 1.0 2.25 3.38 261 221 A 87 GLU H A 87 GLU HG2 1.0 2.25 3.38 262 222 A 87 GLU HB3 A 87 GLU H 1.0 2.21 3.32 263 222 A 87 GLU H A 87 GLU HB2 1.0 2.21 3.32 264 223 A 88 GLU HB3 A 87 GLU H 1.0 2.35 3.53 265 223 A 87 GLU H A 88 GLU HB2 1.0 2.35 3.53 266 224 A 88 GLU HG3 A 87 GLU H 1.0 3.03 4.55 267 224 A 87 GLU H A 88 GLU HG2 1.0 3.03 4.55 268 225 A 87 GLU H A 88 GLU H 1.0 2.59 3.98 269 226 A 87 GLU HG3 A 88 GLU H 1.0 2.63 3.95 270 226 A 88 GLU H A 87 GLU HG2 1.0 2.63 3.95 271 227 A 87 GLU HB3 A 88 GLU H 1.0 2.78 4.18 272 227 A 88 GLU H A 87 GLU HB2 1.0 2.78 4.18 273 228 A 87 GLU H A 88 GLU H 1.0 2.59 3.89 274 229 A 87 GLU H A 89 LEU H 1.0 2.75 4.54 275 230 A 87 GLU H A 89 LEU H 1.0 2.75 4.12 276 231 A 89 LEU H A 87 GLU HB2 1.0 2.81 4.21 277 231 A 87 GLU HB3 A 89 LEU H 1.0 2.81 4.21 278 232 A 88 GLU H A 86 PRO HDy 1.0 3.17 4.76 279 232 A 86 PRO HDx A 88 GLU H 1.0 3.17 4.76 280 233 A 87 GLU HA A 88 GLU H 1.0 2.88 4.32 281 234 A 88 GLU HA A 88 GLU H 1.0 2.59 3.89 282 235 A 89 LEU HB3 A 88 GLU H 1.0 3.07 4.61 283 235 A 88 GLU H A 89 LEU HB2 1.0 3.07 4.61 284 236 A 85 SER HBy A 89 LEU HDy% 1.0 3.48 5.22 285 237 A 85 SER H A 89 LEU H 1.0 3.10 4.66 286 238 A 89 LEU HDx% A 85 SER H 1.0 3.94 5.00 287 239 A 87 GLU HA A 89 LEU H 1.0 2.46 3.69 288 240 A 89 LEU H A 88 GLU HG2 1.0 2.57 3.85 289 240 A 88 GLU HG3 A 89 LEU H 1.0 2.57 3.85 290 241 A 88 GLU H A 89 LEU H 1.0 2.18 3.63 291 242 A 88 GLU H A 89 LEU H 1.0 2.18 3.27 292 243 A 89 LEU HDx% A 88 GLU H 1.0 4.00 5.00 293 244 A 89 LEU HDy% A 88 GLU H 1.0 3.48 5.00 294 245 A 89 LEU HA A 89 LEU HDy% 1.0 2.49 3.74 295 246 A 89 LEU HG A 89 LEU H 1.0 2.36 3.54 296 247 A 89 LEU HB3 A 89 LEU H 1.0 2.21 3.31 297 247 A 89 LEU H A 89 LEU HB2 1.0 2.21 3.31 298 248 A 89 LEU HDx% A 89 LEU H 1.0 3.02 4.52 299 249 A 89 LEU HA A 89 LEU H 1.0 2.61 3.91 300 250 A 89 LEU HDy% A 89 LEU H 1.0 2.75 4.13 301 251 A 89 LEU HG A 90 LYS H 1.0 2.90 4.35 302 252 A 89 LEU H A 90 LYS H 1.0 2.78 4.17 303 253 A 89 LEU HA A 90 LYS H 1.0 2.47 3.71 304 254 A 89 LEU HDx% A 91 VAL HB 1.0 2.33 3.49 305 255 A 89 LEU HA A 102 GLY HAx 1.0 2.81 3.89 306 256 A 89 LEU HA A 102 GLY HAx 1.0 2.81 4.22 307 257 A 89 LEU HDx% A 102 GLY HAx 1.0 3.63 5.04 308 258 A 89 LEU HDx% A 102 GLY HAx 1.0 3.63 5.45 309 259 A 89 LEU HDx% A 103 LYS H 1.0 3.37 5.00 310 260 A 89 LEU HDy% A 103 LYS H 1.0 3.64 5.00 311 261 A 90 LYS HB3 A 90 LYS HG2 1.0 2.12 3.18 312 261 A 90 LYS HB2 A 90 LYS HG2 1.0 2.12 3.18 313 261 A 90 LYS HG3 A 90 LYS HB2 1.0 2.12 3.18 314 261 A 90 LYS HB3 A 90 LYS HG3 1.0 2.12 3.18 315 262 A 90 LYS HA A 90 LYS HB2 1.0 2.13 3.20 316 262 A 90 LYS HB3 A 90 LYS HA 1.0 2.13 3.20 317 263 A 90 LYS HDy A 90 LYS H 1.0 2.94 4.42 318 263 A 90 LYS H A 90 LYS HDx 1.0 2.94 4.42 319 264 A 90 LYS HG3 A 90 LYS H 1.0 2.84 4.26 320 264 A 90 LYS H A 90 LYS HG2 1.0 2.84 4.26 321 265 A 90 LYS HA A 91 VAL H 1.0 2.21 3.32 322 266 A 101 HIS HBx A 90 LYS HB2 1.0 2.68 4.02 323 266 A 90 LYS HB3 A 101 HIS HBx 1.0 2.68 4.02 324 267 A 101 HIS HBy A 90 LYS HB2 1.0 2.35 3.53 325 267 A 90 LYS HB3 A 101 HIS HBy 1.0 2.35 3.53 326 268 A 91 VAL HGy% A 91 VAL H 1.0 2.96 4.44 327 269 A 91 VAL HGx% A 91 VAL H 1.0 2.85 4.28 328 270 A 91 VAL HB A 91 VAL H 1.0 2.42 3.63 329 271 A 91 VAL HB A 92 LYS H 1.0 2.55 3.83 330 272 A 91 VAL HA A 92 LYS H 1.0 2.38 3.58 331 273 A 92 LYS HD3 A 92 LYS H 1.0 2.50 5.00 332 273 A 92 LYS H A 92 LYS HD2 1.0 2.50 5.00 333 274 A 92 LYS HD3 A 92 LYS H 1.0 2.50 3.75 334 274 A 92 LYS H A 92 LYS HD2 1.0 2.50 3.75 335 275 A 92 LYS HG3 A 92 LYS H 1.0 2.60 3.89 336 275 A 92 LYS H A 92 LYS HG2 1.0 2.60 3.89 337 276 A 92 LYS HA A 92 LYS H 1.0 3.20 4.81 338 277 A 92 LYS H A 93 VAL H 1.0 2.82 4.54 339 278 A 92 LYS H A 93 VAL H 1.0 2.82 4.23 340 279 A 92 LYS H A 99 GLU H 1.0 2.94 4.41 341 280 A 100 VAL HA A 92 LYS H 1.0 2.69 4.03 342 281 A 92 LYS H A 101 HIS H 1.0 3.14 4.71 343 282 A 93 VAL H A 92 LYS HG2 1.0 2.45 3.67 344 282 A 92 LYS HG3 A 93 VAL H 1.0 2.45 3.67 345 283 A 92 LYS HA A 93 VAL H 1.0 2.14 3.20 346 284 A 93 VAL HA A 93 VAL H 1.0 2.89 4.34 347 285 A 93 VAL HGy% A 93 VAL H 1.0 2.44 3.66 348 285 A 93 VAL H A 93 VAL HGx% 1.0 2.44 3.66 349 286 A 93 VAL HA A 94 LEU H 1.0 2.22 3.33 350 287 A 93 VAL HA A 98 ILE HA 1.0 2.46 3.69 351 288 A 93 VAL HA A 99 GLU H 1.0 3.11 4.67 352 289 A 94 LEU H A 93 VAL HB 1.0 2.72 4.08 353 290 A 94 LEU H A 94 LEU HA 1.0 2.32 3.48 354 291 A 94 LEU H A 94 LEU HD1% 1.0 2.34 3.51 355 291 A 94 LEU H A 94 LEU HD2% 1.0 2.34 3.51 356 292 A 94 LEU HD2% A 95 GLY H 1.0 2.60 3.90 357 292 A 95 GLY H A 94 LEU HD1% 1.0 2.60 3.90 358 293 A 94 LEU H A 95 GLY H 1.0 3.26 4.89 359 294 A 94 LEU H A 97 VAL H 1.0 2.73 4.31 360 295 A 94 LEU H A 97 VAL H 1.0 2.73 4.10 361 296 A 94 LEU H A 99 GLU H 1.0 2.93 4.40 362 297 A 95 GLY HAx A 94 LEU HD1% 1.0 3.03 4.55 363 297 A 94 LEU HD2% A 95 GLY HAx 1.0 3.03 4.55 364 298 A 95 GLY HAx A 94 LEU HB2 1.0 2.62 3.92 365 298 A 95 GLY HAx A 94 LEU HB3 1.0 2.62 3.92 366 299 A 95 GLY HAy A 94 LEU HD1% 1.0 3.32 4.99 367 299 A 94 LEU HD2% A 95 GLY HAy 1.0 3.32 4.99 368 300 A 95 GLY HAy A 94 LEU HB2 1.0 2.88 4.31 369 300 A 94 LEU HB3 A 95 GLY HAy 1.0 2.88 4.31 370 301 A 94 LEU HG A 95 GLY H 1.0 2.66 4.00 371 302 A 95 GLY HAy A 95 GLY H 1.0 2.22 3.33 372 303 A 95 GLY HAx A 95 GLY H 1.0 2.22 3.33 373 304 A 95 GLY HAy A 96 ASP H 1.0 2.03 3.05 374 305 A 95 GLY HAx A 96 ASP H 1.0 2.12 3.18 375 306 A 95 GLY HAx A 97 VAL H 1.0 2.73 4.09 376 307 A 95 GLY HAy A 97 VAL H 1.0 2.56 3.85 377 308 A 95 GLY H A 96 ASP H 1.0 2.51 3.78 378 309 A 95 GLY H A 96 ASP H 1.0 2.51 3.77 379 310 A 96 ASP HA A 96 ASP HBy 1.0 2.11 3.17 380 310 A 96 ASP HA A 96 ASP HBx 1.0 2.11 3.17 381 311 A 96 ASP HBx A 96 ASP H 1.0 2.66 3.81 382 311 A 96 ASP H A 96 ASP HBy 1.0 2.66 3.81 383 312 A 96 ASP HA A 96 ASP H 1.0 2.26 3.39 384 313 A 96 ASP HBx A 96 ASP H 1.0 2.66 3.68 385 313 A 96 ASP H A 96 ASP HBy 1.0 2.66 3.68 386 314 A 96 ASP HBx A 96 ASP H 1.0 2.66 3.99 387 314 A 96 ASP H A 96 ASP HBy 1.0 2.66 3.99 388 315 A 96 ASP H A 97 VAL H 1.0 2.09 3.08 389 316 A 96 ASP HA A 97 VAL H 1.0 2.34 3.51 390 317 A 97 VAL H A 96 ASP HBy 1.0 2.84 4.25 391 317 A 96 ASP HBx A 97 VAL H 1.0 2.84 4.25 392 318 A 96 ASP H A 97 VAL H 1.0 2.09 3.13 393 319 A 123 ARG HG3 A 96 ASP H 1.0 2.68 4.03 394 319 A 96 ASP H A 123 ARG HG2 1.0 2.68 4.03 395 320 A 96 ASP HA A 124 ILE H 1.0 2.62 3.93 396 321 A 93 VAL HB A 97 VAL H 1.0 2.19 3.29 397 322 A 94 LEU HA A 97 VAL HB 1.0 2.79 4.18 398 323 A 97 VAL HB A 94 LEU HB2 1.0 2.56 3.83 399 323 A 94 LEU HB3 A 97 VAL HB 1.0 2.56 3.83 400 324 A 95 GLY H A 97 VAL H 1.0 3.05 4.57 401 325 A 97 VAL HB A 97 VAL HA 1.0 2.57 3.80 402 326 A 97 VAL HB A 97 VAL HA 1.0 2.57 3.86 403 327 A 97 VAL HA A 97 VAL HG1% 1.0 2.53 3.79 404 327 A 97 VAL HA A 97 VAL HG2% 1.0 2.53 3.79 405 328 A 98 ILE HD1% A 97 VAL HA 1.0 3.53 5.30 406 329 A 97 VAL HA A 123 ARG HA 1.0 2.44 3.61 407 330 A 97 VAL HA A 123 ARG HA 1.0 2.44 3.67 408 331 A 97 VAL HA A 123 ARG HD2 1.0 3.23 4.85 409 331 A 97 VAL HA A 123 ARG HD3 1.0 3.23 4.85 410 332 A 97 VAL HA A 124 ILE HG12 1.0 2.89 4.34 411 332 A 97 VAL HA A 124 ILE HG13 1.0 2.89 4.34 412 333 A 97 VAL HA A 124 ILE HD1% 1.0 3.22 5.04 413 334 A 97 VAL HA A 124 ILE HD1% 1.0 3.22 4.84 414 335 A 97 VAL H A 98 ILE H 1.0 3.12 4.36 415 336 A 97 VAL H A 98 ILE H 1.0 3.12 4.67 416 337 A 98 ILE HD1% A 98 ILE HB 1.0 2.73 4.10 417 338 A 98 ILE HB A 98 ILE HG2% 1.0 2.93 4.40 418 339 A 98 ILE HB A 98 ILE H 1.0 2.86 4.28 419 340 A 98 ILE HD1% A 98 ILE H 1.0 2.64 3.96 420 341 A 98 ILE HB A 99 GLU H 1.0 2.89 4.34 421 342 A 122 TYR HD% A 98 ILE HD1% 1.0 3.82 5.73 422 343 A 122 TYR HD% A 98 ILE HG2% 1.0 3.29 4.94 423 344 A 98 ILE HB A 122 TYR H 1.0 2.94 4.41 424 345 A 98 ILE H A 122 TYR H 1.0 3.28 4.55 425 346 A 98 ILE H A 122 TYR H 1.0 3.28 4.91 426 347 A 98 ILE HD1% A 124 ILE H 1.0 3.43 5.00 427 348 A 98 ILE H A 124 ILE H 1.0 3.20 4.80 428 349 A 99 GLU H A 93 VAL HGx% 1.0 2.75 4.12 429 349 A 93 VAL HGy% A 99 GLU H 1.0 2.75 4.12 430 350 A 98 ILE HG2% A 99 GLU HA 1.0 2.90 4.35 431 351 A 99 GLU HA A 99 GLU H 1.0 3.16 4.74 432 352 A 100 VAL HGy% A 99 GLU HB2 1.0 2.84 4.26 433 352 A 99 GLU HB3 A 100 VAL HGy% 1.0 2.84 4.26 434 353 A 99 GLU H A 100 VAL H 1.0 3.14 4.72 435 354 A 99 GLU HA A 100 VAL H 1.0 2.72 4.08 436 355 A 99 GLU HB3 A 121 LYS HG2 1.0 2.83 4.24 437 355 A 99 GLU HB2 A 121 LYS HG2 1.0 2.83 4.24 438 355 A 121 LYS HG3 A 99 GLU HB2 1.0 2.83 4.24 439 355 A 99 GLU HB3 A 121 LYS HG3 1.0 2.83 4.24 440 356 A 121 LYS HA A 99 GLU HB2 1.0 2.71 4.06 441 356 A 99 GLU HB3 A 121 LYS HA 1.0 2.71 4.06 442 357 A 80 ASP HA A 100 VAL HGx% 1.0 2.56 3.85 443 358 A 100 VAL HGx% A 92 LYS H 1.0 2.76 4.13 444 359 A 100 VAL HGy% A 92 LYS H 1.0 2.81 4.22 445 360 A 100 VAL HA A 100 VAL H 1.0 3.15 4.72 446 361 A 100 VAL HGx% A 100 VAL H 1.0 3.19 4.78 447 362 A 100 VAL HB A 100 VAL H 1.0 2.55 3.83 448 363 A 100 VAL HGy% A 101 HIS H 1.0 3.34 5.00 449 364 A 100 VAL HGx% A 101 HIS H 1.0 2.93 4.40 450 365 A 100 VAL HGx% A 102 GLY H 1.0 3.89 5.00 451 366 A 100 VAL HGx% A 120 ARG H 1.0 3.49 5.00 452 367 A 101 HIS HBy A 92 LYS HB2 1.0 2.68 4.02 453 367 A 101 HIS HBy A 92 LYS HB3 1.0 2.68 4.02 454 368 A 101 HIS HBx A 92 LYS HB2 1.0 2.75 4.12 455 368 A 101 HIS HBx A 92 LYS HB3 1.0 2.75 4.12 456 369 A 100 VAL HA A 101 HIS H 1.0 2.46 3.69 457 370 A 100 VAL HB A 101 HIS H 1.0 3.01 4.51 458 371 A 100 VAL H A 101 HIS H 1.0 3.06 4.58 459 372 A 101 HIS HA A 101 HIS HD2 1.0 2.58 3.87 460 373 A 101 HIS HBy A 101 HIS HA 1.0 2.69 3.40 461 374 A 101 HIS HBx A 101 HIS HA 1.0 2.53 4.19 462 375 A 101 HIS HBx A 101 HIS HA 1.0 2.53 3.79 463 376 A 101 HIS HBx A 101 HIS HD2 1.0 3.18 4.76 464 377 A 101 HIS HBy A 101 HIS HA 1.0 2.69 4.03 465 378 A 101 HIS HBy A 101 HIS H 1.0 2.79 4.19 466 379 A 101 HIS HBx A 101 HIS H 1.0 2.86 4.30 467 380 A 101 HIS HBy A 102 GLY H 1.0 3.08 4.62 468 381 A 101 HIS HA A 102 GLY H 1.0 3.14 4.72 469 382 A 101 HIS HBx A 102 GLY H 1.0 3.24 4.85 470 383 A 101 HIS HA A 119 HIS HD2 1.0 3.11 4.67 471 384 A 101 HIS HA A 120 ARG H 1.0 2.76 4.14 472 385 A 102 GLY HAx A 84 PHE HZ 1.0 3.20 4.81 473 386 A 102 GLY HAx A 102 GLY HAy 1.0 2.76 4.14 474 387 A 102 GLY HAy A 102 GLY H 1.0 2.93 4.40 475 388 A 102 GLY HAx A 102 GLY H 1.0 2.58 3.86 476 389 A 102 GLY HAx A 103 LYS HB2 1.0 3.30 4.95 477 389 A 102 GLY HAx A 103 LYS HB3 1.0 3.30 4.95 478 390 A 102 GLY HAx A 103 LYS H 1.0 2.55 3.82 479 391 A 102 GLY HAy A 118 PHE H 1.0 3.03 4.54 480 392 A 102 GLY H A 118 PHE H 1.0 3.09 4.63 481 393 A 103 LYS H A 88 GLU HG2 1.0 3.20 4.80 482 393 A 88 GLU HG3 A 103 LYS H 1.0 3.20 4.80 483 394 A 103 LYS HA A 103 LYS HD2 1.0 2.39 3.58 484 394 A 103 LYS HA A 103 LYS HD3 1.0 2.39 3.58 485 395 A 103 LYS HG3 A 103 LYS H 1.0 3.12 4.68 486 395 A 103 LYS H A 103 LYS HG2 1.0 3.12 4.68 487 396 A 103 LYS HA A 103 LYS H 1.0 2.76 4.14 488 397 A 116 ARG H A 103 LYS HG2 1.0 3.12 4.68 489 397 A 103 LYS HG3 A 116 ARG H 1.0 3.12 4.68 490 398 A 103 LYS HD3 A 118 PHE H 1.0 3.32 4.98 491 398 A 118 PHE H A 103 LYS HD2 1.0 3.32 4.98 492 399 A 103 LYS HA A 118 PHE H 1.0 3.10 4.66 493 400 A 84 PHE HE% A 104 HIS HA 1.0 3.39 5.08 494 401 A 103 LYS H A 104 HIS H 1.0 3.08 4.62 495 402 A 104 HIS HBx A 104 HIS HA 1.0 2.48 4.62 496 403 A 104 HIS HD2 A 104 HIS HA 1.0 3.31 4.96 497 404 A 104 HIS HA A 104 HIS HBy 1.0 2.89 3.71 498 405 A 104 HIS HA A 104 HIS HBy 1.0 2.89 4.33 499 406 A 104 HIS HBx A 104 HIS HA 1.0 2.48 3.72 500 407 A 104 HIS HA A 105 GLU H 1.0 2.58 3.87 501 408 A 104 HIS HBy A 105 GLU H 1.0 2.95 4.43 502 409 A 116 ARG HB3 A 104 HIS H 1.0 2.96 4.44 503 409 A 104 HIS H A 116 ARG HB2 1.0 2.96 4.44 504 410 A 105 GLU HA A 105 GLU HGy 1.0 1.96 2.94 505 410 A 105 GLU HGx A 105 GLU HA 1.0 1.96 2.94 506 411 A 105 GLU HB3 A 105 GLU H 1.0 2.61 3.92 507 411 A 105 GLU H A 105 GLU HB2 1.0 2.61 3.92 508 412 A 105 GLU HA A 105 GLU H 1.0 2.82 4.23 509 413 A 105 GLU HGx A 105 GLU H 1.0 2.58 4.16 510 413 A 105 GLU H A 105 GLU HGy 1.0 2.58 4.16 511 414 A 105 GLU HGx A 105 GLU H 1.0 2.58 3.88 512 414 A 105 GLU H A 105 GLU HGy 1.0 2.58 3.88 513 415 A 105 GLU HA A 106 GLU H 1.0 2.44 3.66 514 416 A 106 GLU H A 105 GLU HGy 1.0 2.57 4.34 515 416 A 105 GLU HGx A 106 GLU H 1.0 2.57 4.34 516 417 A 106 GLU H A 105 GLU HGy 1.0 2.57 3.86 517 417 A 105 GLU HGx A 106 GLU H 1.0 2.57 3.86 518 418 A 115 SER HBy A 105 GLU HGy 1.0 2.90 4.35 519 418 A 105 GLU HGx A 115 SER HBy 1.0 2.90 4.35 520 419 A 105 GLU HA A 116 ARG H 1.0 2.63 3.94 521 420 A 106 GLU HB3 A 106 GLU H 1.0 2.62 3.93 522 420 A 106 GLU H A 106 GLU HB2 1.0 2.62 3.93 523 421 A 107 ARG HDx A 105 GLU H 1.0 3.08 4.62 524 422 A 107 ARG HBy A 107 ARG HA 1.0 2.20 3.14 525 423 A 107 ARG HBy A 107 ARG HA 1.0 2.20 3.30 526 424 A 107 ARG HA A 107 ARG HGy 1.0 2.55 3.83 527 424 A 107 ARG HA A 107 ARG HGx 1.0 2.55 3.83 528 425 A 107 ARG HA A 107 ARG H 1.0 3.09 4.63 529 426 A 107 ARG HDx A 107 ARG H 1.0 3.08 4.62 530 427 A 107 ARG HBy A 107 ARG H 1.0 2.61 3.92 531 428 A 107 ARG HGx A 107 ARG H 1.0 2.90 4.08 532 428 A 107 ARG H A 107 ARG HGy 1.0 2.90 4.08 533 429 A 107 ARG HGx A 107 ARG H 1.0 2.90 4.35 534 429 A 107 ARG H A 107 ARG HGy 1.0 2.90 4.35 535 430 A 107 ARG H A 108 GLN H 1.0 2.59 3.88 536 431 A 107 ARG HGx A 108 GLN H 1.0 2.14 4.06 537 431 A 108 GLN H A 107 ARG HGy 1.0 2.14 4.06 538 432 A 107 ARG HGx A 108 GLN H 1.0 2.14 3.21 539 432 A 108 GLN H A 107 ARG HGy 1.0 2.14 3.21 540 433 A 107 ARG HBy A 108 GLN H 1.0 2.39 3.59 541 434 A 107 ARG HDy A 109 ASP H 1.0 3.05 4.58 542 435 A 107 ARG HBy A 109 ASP H 1.0 2.64 3.97 543 436 A 107 ARG HBx A 109 ASP H 1.0 2.59 3.89 544 437 A 107 ARG HBx A 113 PHE HD% 1.0 3.10 4.65 545 438 A 107 ARG HBy A 113 PHE HD% 1.0 3.39 5.08 546 439 A 107 ARG HDy A 114 ILE HG2% 1.0 3.04 4.57 547 440 A 107 ARG HBx A 114 ILE HG2% 1.0 2.99 4.48 548 441 A 108 GLN HA A 108 GLN HG2 1.0 2.01 3.01 549 441 A 108 GLN HA A 108 GLN HG3 1.0 2.01 3.01 550 442 A 108 GLN HA A 108 GLN HBy 1.0 2.46 3.69 551 442 A 108 GLN HA A 108 GLN HBx 1.0 2.46 3.69 552 443 A 108 GLN HA A 109 ASP H 1.0 2.73 4.09 553 444 A 108 GLN HA A 113 PHE HE% 1.0 3.24 4.86 554 445 A 108 GLN HA A 113 PHE H 1.0 2.65 3.98 555 446 A 108 GLN H A 109 ASP H 1.0 3.23 4.84 556 447 A 109 ASP HBx A 109 ASP H 1.0 3.05 4.57 557 447 A 109 ASP H A 109 ASP HBy 1.0 3.05 4.57 558 448 A 109 ASP HA A 109 ASP H 1.0 2.33 3.50 559 449 A 109 ASP HA A 111 HIS H 1.0 3.09 4.64 560 450 A 109 ASP H A 112 GLY H 1.0 2.53 4.31 561 451 A 109 ASP H A 112 GLY H 1.0 2.53 3.80 562 452 A 114 ILE HG1x A 109 ASP H 1.0 2.87 4.31 563 453 A 109 ASP HBx A 110 GLU H 1.0 2.88 4.32 564 453 A 110 GLU H A 109 ASP HBy 1.0 2.88 4.32 565 454 A 110 GLU HA A 110 GLU H 1.0 3.03 4.54 566 455 A 109 ASP HA A 111 HIS HA 1.0 3.21 4.82 567 456 A 109 ASP H A 111 HIS H 1.0 3.27 4.91 568 457 A 111 HIS H A 109 ASP HBy 1.0 3.44 5.00 569 457 A 109 ASP HBx A 111 HIS H 1.0 3.44 5.00 570 458 A 110 GLU H A 111 HIS H 1.0 3.39 4.21 571 459 A 110 GLU H A 111 HIS H 1.0 3.39 5.00 572 460 A 110 GLU HA A 111 HIS H 1.0 2.88 4.33 573 461 A 111 HIS HA A 111 HIS HBx 1.0 2.48 3.72 574 462 A 111 HIS HA A 111 HIS HBy 1.0 2.25 4.25 575 463 A 111 HIS HA A 111 HIS HBy 1.0 2.25 3.38 576 464 A 111 HIS HD2 A 111 HIS H 1.0 3.38 5.00 577 465 A 111 HIS HBx A 111 HIS H 1.0 2.89 4.33 578 466 A 111 HIS HA A 111 HIS H 1.0 2.77 4.16 579 467 A 111 HIS HBy A 111 HIS H 1.0 2.86 4.29 580 468 A 111 HIS H A 112 GLY H 1.0 2.54 3.43 581 469 A 111 HIS HBx A 112 GLY H 1.0 2.82 4.24 582 470 A 111 HIS HA A 112 GLY H 1.0 2.71 4.07 583 471 A 111 HIS H A 112 GLY H 1.0 2.54 3.81 584 472 A 111 HIS HBy A 112 GLY H 1.0 2.96 4.43 585 473 A 114 ILE HG2% A 111 HIS HBy 1.0 1.80 5.00 586 474 A 114 ILE HG2% A 111 HIS HBx 1.0 1.80 5.00 587 475 A 112 GLY HAx A 112 GLY HAy 1.0 2.44 3.51 588 476 A 112 GLY HAx A 112 GLY HAy 1.0 2.44 3.67 589 477 A 112 GLY HAy A 112 GLY H 1.0 2.68 4.02 590 478 A 112 GLY HAx A 112 GLY H 1.0 2.51 3.76 591 479 A 112 GLY HAx A 113 PHE H 1.0 2.71 4.07 592 480 A 112 GLY HAy A 113 PHE H 1.0 2.99 4.48 593 481 A 107 ARG HBx A 113 PHE HA 1.0 2.97 4.46 594 482 A 107 ARG HA A 113 PHE HD% 1.0 3.15 4.72 595 483 A 107 ARG HA A 113 PHE HE% 1.0 3.48 5.22 596 484 A 113 PHE HD% A 108 GLN HA 1.0 2.90 4.35 597 485 A 108 GLN HA A 113 PHE HA 1.0 2.39 3.58 598 486 A 112 GLY H A 113 PHE H 1.0 2.89 4.85 599 487 A 112 GLY H A 113 PHE H 1.0 2.89 4.34 600 488 A 113 PHE HA A 113 PHE HBx 1.0 2.83 4.24 601 489 A 113 PHE HA A 113 PHE HBy 1.0 2.92 4.06 602 490 A 113 PHE HD% A 113 PHE HBx 1.0 3.33 5.00 603 491 A 113 PHE HA A 113 PHE HBy 1.0 2.92 4.38 604 492 A 113 PHE HE% A 113 PHE HA 1.0 3.39 5.09 605 493 A 113 PHE HE% A 113 PHE HBy 1.0 3.73 5.59 606 494 A 113 PHE HD% A 113 PHE HA 1.0 3.05 4.57 607 495 A 113 PHE HE% A 113 PHE HBx 1.0 3.95 5.93 608 496 A 113 PHE HBy A 113 PHE H 1.0 3.10 4.65 609 497 A 113 PHE HD% A 113 PHE H 1.0 3.64 5.00 610 498 A 113 PHE HBx A 113 PHE H 1.0 3.09 4.63 611 499 A 113 PHE HA A 113 PHE H 1.0 2.98 4.47 612 500 A 113 PHE H A 114 ILE H 1.0 3.25 4.87 613 501 A 114 ILE HD1% A 104 HIS HE1 1.0 2.89 4.33 614 502 A 104 HIS HBx A 114 ILE HD1% 1.0 3.27 4.91 615 503 A 114 ILE HD1% A 106 GLU HB2 1.0 3.66 5.49 616 503 A 106 GLU HB3 A 114 ILE HD1% 1.0 3.66 5.49 617 504 A 107 ARG HDx A 114 ILE HD1% 1.0 3.41 5.12 618 505 A 114 ILE HD1% A 107 ARG HGy 1.0 2.65 3.97 619 505 A 107 ARG HGx A 114 ILE HD1% 1.0 2.65 3.97 620 506 A 107 ARG HDy A 114 ILE HB 1.0 2.43 3.64 621 507 A 107 ARG HDy A 114 ILE HD1% 1.0 3.28 4.91 622 508 A 109 ASP H A 114 ILE H 1.0 3.37 5.00 623 509 A 114 ILE HG2% A 109 ASP H 1.0 3.70 5.00 624 510 A 114 ILE HG2% A 111 HIS H 1.0 4.00 5.00 625 511 A 114 ILE HG2% A 112 GLY H 1.0 3.72 5.00 626 512 A 113 PHE HA A 114 ILE HD1% 1.0 3.36 5.04 627 513 A 114 ILE HB A 114 ILE HA 1.0 3.30 4.94 628 514 A 114 ILE HD1% A 114 ILE HA 1.0 2.88 4.33 629 515 A 114 ILE HD1% A 114 ILE HA 1.0 2.88 4.32 630 516 A 114 ILE HG1y A 114 ILE H 1.0 3.32 4.98 631 517 A 114 ILE HG1x A 114 ILE H 1.0 2.97 4.46 632 518 A 114 ILE HG2% A 114 ILE H 1.0 3.12 4.68 633 519 A 114 ILE HB A 114 ILE H 1.0 3.08 4.63 634 520 A 104 HIS HE1 A 115 SER HA 1.0 2.81 4.21 635 521 A 115 SER HBx A 105 GLU HB2 1.0 2.51 3.77 636 521 A 105 GLU HB3 A 115 SER HBx 1.0 2.51 3.77 637 522 A 115 SER HBy A 105 GLU HB2 1.0 2.59 3.88 638 522 A 105 GLU HB3 A 115 SER HBy 1.0 2.59 3.88 639 523 A 115 SER HBy A 106 GLU H 1.0 2.94 4.41 640 524 A 115 SER HBx A 106 GLU H 1.0 3.12 4.68 641 525 A 115 SER HBy A 107 ARG H 1.0 2.54 3.81 642 526 A 114 ILE HD1% A 115 SER HA 1.0 3.43 4.89 643 527 A 114 ILE HD1% A 115 SER HA 1.0 3.43 5.14 644 528 A 115 SER HA A 115 SER HBx 1.0 2.32 3.80 645 529 A 115 SER HA A 115 SER HBx 1.0 2.32 3.49 646 530 A 115 SER HBy A 115 SER HBx 1.0 2.25 3.38 647 531 A 115 SER HBy A 115 SER HA 1.0 2.61 3.91 648 532 A 115 SER HBy A 116 ARG H 1.0 2.91 4.36 649 533 A 115 SER HBx A 116 ARG H 1.0 2.95 4.42 650 534 A 104 HIS H A 116 ARG H 1.0 3.11 4.68 651 535 A 104 HIS H A 116 ARG H 1.0 3.11 4.67 652 536 A 115 SER H A 116 ARG H 1.0 3.15 4.72 653 537 A 116 ARG HA A 116 ARG HD2 1.0 2.80 4.21 654 537 A 116 ARG HA A 116 ARG HD3 1.0 2.80 4.21 655 538 A 116 ARG HB3 A 116 ARG H 1.0 3.13 4.69 656 538 A 116 ARG H A 116 ARG HB2 1.0 3.13 4.69 657 539 A 116 ARG HG3 A 116 ARG H 1.0 3.23 4.84 658 539 A 116 ARG H A 116 ARG HG2 1.0 3.23 4.84 659 540 A 116 ARG HA A 117 GLU H 1.0 2.78 4.17 660 541 A 117 GLU HA A 103 LYS HG2 1.0 2.70 4.05 661 541 A 103 LYS HG3 A 117 GLU HA 1.0 2.70 4.05 662 542 A 117 GLU HA A 103 LYS HD2 1.0 2.52 3.79 663 542 A 103 LYS HD3 A 117 GLU HA 1.0 2.52 3.79 664 543 A 103 LYS HA A 117 GLU HA 1.0 2.72 4.06 665 544 A 103 LYS HA A 117 GLU HA 1.0 2.72 4.08 666 545 A 116 ARG HB3 A 117 GLU H 1.0 2.85 4.28 667 545 A 117 GLU H A 116 ARG HB2 1.0 2.85 4.28 668 546 A 117 GLU HA A 117 GLU H 1.0 3.22 4.82 669 547 A 117 GLU HG3 A 117 GLU H 1.0 3.08 4.62 670 547 A 117 GLU H A 117 GLU HG2 1.0 3.08 4.62 671 548 A 117 GLU HA A 118 PHE H 1.0 2.79 4.18 672 549 A 100 VAL HGy% A 118 PHE HB3 1.0 2.65 3.97 673 550 A 118 PHE HE% A 102 GLY H 1.0 3.42 5.00 674 551 A 118 PHE HD% A 103 LYS HA 1.0 3.42 5.12 675 552 A 118 PHE HE% A 103 LYS H 1.0 3.44 5.00 676 553 A 118 PHE HD% A 103 LYS H 1.0 3.43 5.00 677 554 A 117 GLU H A 118 PHE H 1.0 3.29 5.00 678 555 A 118 PHE HB3 A 117 GLU H 1.0 3.42 5.00 679 556 A 117 GLU H A 118 PHE H 1.0 3.29 4.93 680 557 A 118 PHE HB3 A 118 PHE HA 1.0 2.50 4.67 681 558 A 118 PHE HA A 118 PHE HZ 1.0 3.50 5.25 682 559 A 118 PHE HD% A 118 PHE HA 1.0 3.12 4.68 683 560 A 118 PHE HB3 A 118 PHE HA 1.0 2.50 3.75 684 561 A 118 PHE HA A 118 PHE HB2 1.0 2.37 3.55 685 562 A 118 PHE HA A 118 PHE H 1.0 3.43 5.00 686 563 A 118 PHE HB3 A 118 PHE H 1.0 3.52 5.00 687 564 A 118 PHE HD% A 118 PHE H 1.0 3.50 5.00 688 565 A 118 PHE HB3 A 119 HIS H 1.0 2.96 4.44 689 566 A 118 PHE HA A 119 HIS H 1.0 2.88 4.32 690 567 A 101 HIS HBx A 119 HIS HA 1.0 3.02 4.53 691 568 A 101 HIS HA A 119 HIS HBy 1.0 2.60 3.90 692 569 A 101 HIS HA A 119 HIS HA 1.0 2.51 3.76 693 570 A 101 HIS HBy A 119 HIS HA 1.0 3.21 4.82 694 571 A 101 HIS HD2 A 119 HIS HA 1.0 2.71 4.06 695 572 A 119 HIS HA A 119 HIS HBx 1.0 2.71 4.06 696 573 A 119 HIS HD2 A 119 HIS HA 1.0 2.99 4.48 697 574 A 119 HIS HD2 A 119 HIS HBy 1.0 3.14 4.71 698 575 A 119 HIS HA A 119 HIS HBy 1.0 2.65 3.87 699 576 A 119 HIS HA A 119 HIS HBy 1.0 2.65 3.98 700 577 A 119 HIS H A 119 HIS HBy 1.0 2.92 4.38 701 578 A 119 HIS H A 119 HIS HA 1.0 3.29 4.94 702 579 A 119 HIS H A 120 ARG H 1.0 3.45 5.00 703 580 A 100 VAL H A 120 ARG H 1.0 3.26 4.89 704 581 A 121 LYS H A 120 ARG H 1.0 3.40 5.00 705 582 A 121 LYS HA A 97 VAL HG1% 1.0 2.99 4.49 706 582 A 97 VAL HG2% A 121 LYS HA 1.0 2.99 4.49 707 583 A 99 GLU HA A 121 LYS HA 1.0 2.70 4.04 708 584 A 121 LYS HA A 120 ARG HB2 1.0 2.65 3.98 709 584 A 121 LYS HA A 120 ARG HB3 1.0 2.65 3.98 710 585 A 121 LYS HA A 121 LYS HG2 1.0 2.76 4.13 711 585 A 121 LYS HG3 A 121 LYS HA 1.0 2.76 4.13 712 586 A 121 LYS HA A 122 TYR H 1.0 2.74 4.11 713 587 A 122 TYR H A 121 LYS HG2 1.0 3.17 4.75 714 587 A 121 LYS HG3 A 122 TYR H 1.0 3.17 4.75 715 588 A 98 ILE HD1% A 122 TYR HBy 1.0 3.00 4.51 716 588 A 98 ILE HD1% A 122 TYR HBx 1.0 3.00 4.51 717 589 A 122 TYR HE% A 98 ILE HG2% 1.0 3.69 5.53 718 590 A 122 TYR HA A 98 ILE H 1.0 2.53 3.79 719 591 A 122 TYR HA A 122 TYR HBy 1.0 2.55 4.39 720 591 A 122 TYR HBx A 122 TYR HA 1.0 2.55 4.39 721 592 A 122 TYR HD% A 122 TYR HA 1.0 2.79 4.18 722 593 A 122 TYR HA A 122 TYR HBy 1.0 2.55 3.83 723 593 A 122 TYR HBx A 122 TYR HA 1.0 2.55 3.83 724 594 A 122 TYR HE% A 122 TYR HBy 1.0 3.54 5.31 725 594 A 122 TYR HE% A 122 TYR HBx 1.0 3.54 5.31 726 595 A 122 TYR HD% A 122 TYR H 1.0 3.65 5.00 727 596 A 122 TYR HA A 122 TYR H 1.0 3.00 4.50 728 597 A 122 TYR HBx A 122 TYR H 1.0 3.22 4.94 729 597 A 122 TYR H A 122 TYR HBy 1.0 3.22 4.94 730 598 A 122 TYR HBx A 122 TYR H 1.0 3.22 4.83 731 598 A 122 TYR H A 122 TYR HBy 1.0 3.22 4.83 732 599 A 122 TYR HA A 123 ARG HBx 1.0 3.02 4.53 733 600 A 122 TYR HA A 123 ARG HBy 1.0 3.12 4.68 734 601 A 122 TYR H A 123 ARG H 1.0 3.31 4.96 735 602 A 122 TYR HA A 123 ARG H 1.0 2.19 3.28 736 603 A 124 ILE HD1% A 122 TYR HA 1.0 3.86 5.78 737 604 A 123 ARG HBx A 97 VAL HG1% 1.0 3.39 5.09 738 604 A 97 VAL HG2% A 123 ARG HBx 1.0 3.39 5.09 739 605 A 123 ARG HD3 A 98 ILE H 1.0 3.15 4.72 740 605 A 98 ILE H A 123 ARG HD2 1.0 3.15 4.72 741 606 A 123 ARG HBx A 123 ARG HD2 1.0 2.42 3.62 742 606 A 123 ARG HD3 A 123 ARG HBx 1.0 2.42 3.62 743 607 A 123 ARG HBy A 123 ARG HD2 1.0 2.44 3.66 744 607 A 123 ARG HD3 A 123 ARG HBy 1.0 2.44 3.66 745 608 A 123 ARG HA A 123 ARG HD2 1.0 2.29 4.00 746 608 A 123 ARG HA A 123 ARG HD3 1.0 2.29 4.00 747 609 A 123 ARG HA A 123 ARG HD2 1.0 2.29 3.44 748 609 A 123 ARG HA A 123 ARG HD3 1.0 2.29 3.44 749 610 A 123 ARG HA A 123 ARG H 1.0 2.48 3.72 750 611 A 124 ILE H A 123 ARG HD2 1.0 3.25 4.87 751 611 A 123 ARG HD3 A 124 ILE H 1.0 3.25 4.87 752 612 A 123 ARG HBy A 124 ILE H 1.0 2.91 4.37 753 613 A 94 LEU H A 124 ILE HD1% 1.0 3.39 5.00 754 614 A 124 ILE HD1% A 96 ASP H 1.0 3.35 5.00 755 615 A 97 VAL HA A 124 ILE HB 1.0 2.70 4.05 756 616 A 124 ILE HD1% A 97 VAL H 1.0 3.00 4.50 757 617 A 124 ILE HD1% A 98 ILE H 1.0 3.44 5.00 758 618 A 122 TYR HD% A 124 ILE HG2% 1.0 3.71 5.56 759 619 A 122 TYR HD% A 124 ILE HA 1.0 3.34 5.01 760 620 A 123 ARG HA A 124 ILE HD1% 1.0 2.93 5.06 761 621 A 123 ARG HA A 124 ILE HD1% 1.0 2.93 4.39 762 622 A 123 ARG H A 124 ILE H 1.0 3.39 5.00 763 623 A 124 ILE HB A 124 ILE HA 1.0 2.68 3.80 764 624 A 124 ILE HD1% A 124 ILE HB 1.0 3.02 4.54 765 625 A 124 ILE HD1% A 124 ILE HG2% 1.0 2.84 4.26 766 626 A 124 ILE HB A 124 ILE HA 1.0 2.68 4.03 767 627 A 124 ILE HD1% A 124 ILE HG12 1.0 2.64 3.96 768 627 A 124 ILE HG13 A 124 ILE HD1% 1.0 2.64 3.96 769 628 A 124 ILE HD1% A 124 ILE HA 1.0 2.84 5.25 770 629 A 124 ILE HG2% A 124 ILE HG12 1.0 2.67 4.01 771 629 A 124 ILE HG13 A 124 ILE HG2% 1.0 2.67 4.01 772 630 A 124 ILE HD1% A 124 ILE HA 1.0 2.84 4.26 773 631 A 124 ILE HG2% A 124 ILE HA 1.0 3.07 5.27 774 632 A 124 ILE HG2% A 124 ILE HA 1.0 3.07 4.61 775 633 A 124 ILE HA A 124 ILE H 1.0 3.37 5.00 776 634 A 124 ILE HD1% A 124 ILE H 1.0 3.97 4.88 777 635 A 124 ILE HD1% A 124 ILE H 1.0 3.97 5.00 778 636 A 124 ILE HA A 125 PRO HA 1.0 3.22 4.83 779 637 A 124 ILE HG2% A 126 ALA HA 1.0 3.31 4.96 780 638 A 124 ILE HG2% A 127 ASP H 1.0 3.73 5.00 781 639 A 124 ILE HD1% A 128 VAL H 1.0 2.64 3.96 782 640 A 124 ILE HG2% A 128 VAL H 1.0 2.59 3.89 783 641 A 148 PRO HA A 124 ILE HG2% 1.0 3.64 5.46 784 642 A 122 TYR HD% A 125 PRO HDy 1.0 3.70 5.55 785 643 A 122 TYR HD% A 125 PRO HDx 1.0 4.05 6.08 786 644 A 124 ILE HB A 125 PRO HDx 1.0 3.07 4.61 787 645 A 125 PRO HDy A 124 ILE HG12 1.0 3.09 4.63 788 645 A 124 ILE HG13 A 125 PRO HDy 1.0 3.09 4.63 789 646 A 124 ILE HG2% A 125 PRO HDy 1.0 3.14 4.71 790 647 A 124 ILE HD1% A 125 PRO HDy 1.0 3.42 5.13 791 648 A 124 ILE HD1% A 125 PRO HDx 1.0 3.55 5.33 792 649 A 124 ILE HG2% A 125 PRO HDx 1.0 3.35 5.03 793 650 A 124 ILE HB A 125 PRO HDy 1.0 3.02 4.53 794 651 A 124 ILE HA A 125 PRO HDx 1.0 3.27 4.90 795 652 A 124 ILE HA A 125 PRO HDy 1.0 3.19 4.79 796 653 A 125 PRO HA A 125 PRO HDx 1.0 2.96 4.44 797 654 A 126 ALA H A 125 PRO HB2 1.0 2.46 3.69 798 654 A 125 PRO HB3 A 126 ALA H 1.0 2.46 3.69 799 655 A 125 PRO HA A 126 ALA H 1.0 2.15 3.23 800 656 A 125 PRO HA A 127 ASP H 1.0 2.50 3.75 801 657 A 126 ALA HA A 126 ALA H 1.0 2.31 3.47 802 658 A 126 ALA HB% A 126 ALA H 1.0 2.31 3.47 803 659 A 126 ALA HB% A 127 ASP H 1.0 2.51 3.76 804 660 A 126 ALA HA A 128 VAL H 1.0 2.32 3.47 805 661 A 126 ALA HB% A 128 VAL H 1.0 2.85 4.27 806 662 A 125 PRO HB3 A 127 ASP H 1.0 2.45 3.67 807 662 A 127 ASP H A 125 PRO HB2 1.0 2.45 3.67 808 663 A 126 ALA HB% A 127 ASP HA 1.0 3.06 4.59 809 664 A 126 ALA H A 127 ASP H 1.0 2.40 3.66 810 665 A 126 ALA H A 127 ASP H 1.0 2.40 3.60 811 666 A 127 ASP HA A 127 ASP HBx 1.0 2.12 3.18 812 667 A 127 ASP HA A 127 ASP HBy 1.0 2.10 3.15 813 668 A 127 ASP HA A 127 ASP H 1.0 2.19 3.28 814 669 A 127 ASP HBx A 127 ASP H 1.0 2.40 3.60 815 670 A 127 ASP HBy A 127 ASP H 1.0 2.32 3.48 816 671 A 127 ASP HBx A 128 VAL H 1.0 2.79 4.18 817 672 A 127 ASP HA A 128 VAL H 1.0 2.34 3.51 818 673 A 127 ASP HBy A 128 VAL H 1.0 2.66 3.99 819 674 A 128 VAL HGy% A 127 ASP H 1.0 3.93 5.00 820 674 A 127 ASP H A 128 VAL HGx% 1.0 3.93 5.00 821 675 A 126 ALA H A 128 VAL H 1.0 3.15 4.40 822 676 A 126 ALA H A 128 VAL H 1.0 3.15 4.73 823 677 A 127 ASP H A 128 VAL H 1.0 2.20 3.25 824 678 A 127 ASP H A 128 VAL H 1.0 2.20 3.30 825 679 A 128 VAL H A 129 ASP H 1.0 2.84 4.90 826 680 A 128 VAL H A 129 ASP H 1.0 2.84 4.27 827 681 A 150 LYS HD3 A 128 VAL H 1.0 2.20 3.30 828 681 A 128 VAL H A 150 LYS HD2 1.0 2.20 3.30 829 682 A 128 VAL HA A 129 ASP H 1.0 2.45 3.67 830 683 A 129 ASP HBx A 129 ASP H 1.0 2.44 3.67 831 684 A 129 ASP HBy A 129 ASP H 1.0 2.51 3.76 832 685 A 129 ASP HA A 129 ASP H 1.0 2.54 3.80 833 686 A 132 THR HG1 A 129 ASP H 1.0 3.07 4.60 834 687 A 130 PRO HG3 A 131 LEU H 1.0 2.94 4.41 835 687 A 131 LEU H A 130 PRO HG2 1.0 2.94 4.41 836 688 A 129 ASP HA A 131 LEU H 1.0 2.89 4.34 837 689 A 131 LEU HB3 A 131 LEU H 1.0 2.35 3.52 838 689 A 131 LEU H A 131 LEU HB2 1.0 2.35 3.52 839 690 A 131 LEU HDy% A 131 LEU H 1.0 2.84 4.26 840 691 A 131 LEU HA A 131 LEU H 1.0 2.34 3.51 841 692 A 131 LEU HDx% A 131 LEU H 1.0 2.83 4.24 842 693 A 132 THR HG2% A 131 LEU H 1.0 3.25 4.87 843 694 A 131 LEU H A 132 THR H 1.0 2.50 3.99 844 695 A 131 LEU H A 132 THR H 1.0 2.50 3.75 845 696 A 131 LEU H A 133 ILE H 1.0 2.97 4.46 846 697 A 132 THR HG2% A 129 ASP H 1.0 3.36 5.00 847 698 A 131 LEU HA A 132 THR H 1.0 3.00 4.50 848 699 A 132 THR HG1 A 132 THR H 1.0 2.74 4.12 849 700 A 132 THR HG2% A 132 THR H 1.0 2.83 4.24 850 701 A 132 THR HA A 132 THR H 1.0 2.58 3.87 851 702 A 132 THR HB A 133 ILE HG12 1.0 2.05 3.07 852 702 A 132 THR HB A 133 ILE HG13 1.0 2.05 3.07 853 703 A 132 THR HA A 133 ILE HA 1.0 2.59 3.89 854 704 A 132 THR HA A 133 ILE H 1.0 2.61 3.92 855 705 A 132 THR HG1 A 133 ILE H 1.0 2.98 4.47 856 706 A 132 THR H A 133 ILE H 1.0 2.46 3.77 857 707 A 132 THR HG2% A 133 ILE H 1.0 2.83 4.25 858 708 A 132 THR H A 133 ILE H 1.0 2.46 3.68 859 709 A 132 THR HB A 147 GLY HAy 1.0 2.67 4.00 860 710 A 132 THR HB A 148 PRO HD2 1.0 2.84 4.27 861 710 A 132 THR HB A 148 PRO HD3 1.0 2.84 4.27 862 711 A 75 PHE HE% A 133 ILE HG2% 1.0 3.86 5.79 863 712 A 133 ILE HD1% A 130 PRO HD2 1.0 3.46 5.18 864 712 A 133 ILE HD1% A 130 PRO HD3 1.0 3.46 5.18 865 713 A 133 ILE HD1% A 130 PRO HB2 1.0 3.33 5.00 866 713 A 133 ILE HD1% A 130 PRO HB3 1.0 3.33 5.00 867 714 A 133 ILE HD1% A 130 PRO HA 1.0 2.91 4.37 868 715 A 133 ILE HD1% A 130 PRO HG2 1.0 2.93 4.39 869 715 A 133 ILE HD1% A 130 PRO HG3 1.0 2.93 4.39 870 716 A 131 LEU HA A 133 ILE H 1.0 3.03 4.54 871 717 A 133 ILE HG2% A 132 THR H 1.0 3.45 5.00 872 718 A 133 ILE HD1% A 133 ILE HA 1.0 2.93 4.39 873 719 A 133 ILE HA A 133 ILE HG2% 1.0 2.68 4.02 874 720 A 133 ILE HG2% A 133 ILE HG12 1.0 2.93 4.40 875 720 A 133 ILE HG13 A 133 ILE HG2% 1.0 2.93 4.40 876 721 A 133 ILE HD1% A 133 ILE H 1.0 2.66 4.00 877 722 A 133 ILE HA A 133 ILE H 1.0 2.61 3.91 878 723 A 133 ILE HG2% A 133 ILE H 1.0 3.23 4.85 879 724 A 133 ILE HD1% A 134 THR H 1.0 2.71 4.06 880 725 A 133 ILE H A 134 THR H 1.0 3.05 4.53 881 726 A 133 ILE H A 134 THR H 1.0 3.05 4.58 882 727 A 133 ILE HG2% A 145 VAL HB 1.0 3.00 4.50 883 728 A 147 GLY HAx A 133 ILE HG12 1.0 3.11 4.67 884 728 A 133 ILE HG13 A 147 GLY HAx 1.0 3.11 4.67 885 729 A 134 THR HG2% A 134 THR H 1.0 2.91 4.36 886 730 A 134 THR HA A 134 THR H 1.0 2.25 3.38 887 731 A 134 THR HG2% A 135 SER H 1.0 2.62 3.93 888 732 A 134 THR H A 135 SER H 1.0 3.11 4.62 889 733 A 134 THR H A 135 SER H 1.0 3.11 4.66 890 734 A 134 THR HB A 135 SER H 1.0 2.21 3.31 891 735 A 135 SER HA A 135 SER HBx 1.0 2.24 3.36 892 736 A 135 SER HA A 135 SER H 1.0 2.70 4.05 893 737 A 135 SER HA A 136 SER H 1.0 2.28 3.42 894 738 A 145 VAL HGy% A 135 SER HA 1.0 3.20 4.80 895 739 A 135 SER HBy A 145 VAL HA 1.0 2.52 3.78 896 740 A 135 SER HA A 145 VAL HA 1.0 2.28 3.63 897 741 A 145 VAL HGx% A 135 SER HA 1.0 2.66 4.65 898 742 A 135 SER HA A 145 VAL HA 1.0 2.28 3.42 899 743 A 145 VAL HGx% A 135 SER HA 1.0 2.66 3.99 900 744 A 135 SER HBy A 146 ASP H 1.0 2.89 4.34 901 745 A 135 SER H A 136 SER H 1.0 2.97 4.38 902 746 A 135 SER H A 136 SER H 1.0 2.97 4.45 903 747 A 136 SER HA A 136 SER H 1.0 2.59 3.88 904 748 A 136 SER HBx A 136 SER H 1.0 2.21 3.31 905 748 A 136 SER H A 136 SER HBy 1.0 2.21 3.31 906 749 A 136 SER HA A 137 LEU H 1.0 2.39 3.59 907 750 A 143 LEU HDy% A 136 SER H 1.0 2.76 4.13 908 750 A 136 SER H A 143 LEU HDx% 1.0 2.76 4.13 909 751 A 143 LEU HG A 136 SER H 1.0 3.24 4.86 910 752 A 137 LEU HB3 A 137 LEU H 1.0 2.75 4.13 911 752 A 137 LEU H A 137 LEU HB2 1.0 2.75 4.13 912 753 A 137 LEU HG A 137 LEU H 1.0 3.10 4.64 913 754 A 137 LEU HD2% A 137 LEU H 1.0 3.27 4.90 914 754 A 137 LEU H A 137 LEU HD1% 1.0 3.27 4.90 915 755 A 137 LEU H A 138 SER H 1.0 2.92 4.37 916 756 A 138 SER HA A 138 SER HB2 1.0 1.93 2.89 917 756 A 138 SER HA A 138 SER HB3 1.0 1.93 2.89 918 757 A 138 SER H A 141 GLY H 1.0 3.06 4.54 919 758 A 138 SER HA A 141 GLY H 1.0 2.54 3.81 920 759 A 138 SER H A 141 GLY H 1.0 3.06 4.59 921 760 A 138 SER H A 142 VAL H 1.0 2.64 3.92 922 761 A 142 VAL HB A 138 SER H 1.0 2.80 4.20 923 762 A 138 SER HB3 A 142 VAL H 1.0 2.67 4.01 924 762 A 142 VAL H A 138 SER HB2 1.0 2.67 4.01 925 763 A 138 SER H A 142 VAL H 1.0 2.64 3.96 926 764 A 140 ASP H A 139 SER HBy 1.0 2.73 4.09 927 764 A 139 SER HBx A 140 ASP H 1.0 2.73 4.09 928 765 A 140 ASP HA A 140 ASP H 1.0 2.30 3.46 929 766 A 140 ASP HB3 A 140 ASP H 1.0 2.36 3.54 930 766 A 140 ASP H A 140 ASP HB2 1.0 2.36 3.54 931 767 A 141 GLY H A 140 ASP HB2 1.0 2.63 3.94 932 767 A 140 ASP HB3 A 141 GLY H 1.0 2.63 3.94 933 768 A 140 ASP H A 141 GLY H 1.0 2.59 3.77 934 769 A 140 ASP HA A 141 GLY H 1.0 2.57 3.85 935 770 A 140 ASP H A 141 GLY H 1.0 2.59 3.89 936 771 A 141 GLY HAx A 141 GLY H 1.0 2.62 3.94 937 772 A 141 GLY HAy A 141 GLY H 1.0 2.24 3.35 938 773 A 142 VAL HG2% A 140 ASP H 1.0 3.68 5.00 939 773 A 140 ASP H A 142 VAL HG1% 1.0 3.68 5.00 940 774 A 140 ASP HB3 A 142 VAL H 1.0 3.03 4.54 941 774 A 142 VAL H A 140 ASP HB2 1.0 3.03 4.54 942 775 A 140 ASP H A 142 VAL H 1.0 3.06 4.59 943 776 A 142 VAL HG2% A 141 GLY H 1.0 2.92 4.38 944 776 A 141 GLY H A 142 VAL HG1% 1.0 2.92 4.38 945 777 A 141 GLY H A 142 VAL H 1.0 2.28 3.42 946 778 A 141 GLY H A 142 VAL H 1.0 2.28 3.43 947 779 A 142 VAL HA A 142 VAL HG1% 1.0 2.42 3.62 948 779 A 142 VAL HG2% A 142 VAL HA 1.0 2.42 3.62 949 780 A 142 VAL HB A 142 VAL H 1.0 2.33 3.50 950 781 A 142 VAL HA A 142 VAL H 1.0 2.74 4.11 951 782 A 142 VAL HG2% A 142 VAL H 1.0 2.67 3.69 952 782 A 142 VAL H A 142 VAL HG1% 1.0 2.67 3.69 953 783 A 142 VAL HG2% A 142 VAL H 1.0 2.67 4.00 954 783 A 142 VAL H A 142 VAL HG1% 1.0 2.67 4.00 955 784 A 142 VAL H A 143 LEU H 1.0 2.86 4.29 956 785 A 142 VAL HG2% A 143 LEU H 1.0 3.02 4.52 957 785 A 143 LEU H A 142 VAL HG1% 1.0 3.02 4.52 958 786 A 142 VAL HB A 143 LEU H 1.0 3.10 4.65 959 787 A 79 LEU H A 143 LEU H 1.0 3.39 5.00 960 788 A 143 LEU HA A 136 SER H 1.0 3.12 4.68 961 789 A 143 LEU HG A 143 LEU H 1.0 3.11 4.66 962 790 A 143 LEU HDy% A 143 LEU H 1.0 3.04 4.56 963 790 A 143 LEU H A 143 LEU HDx% 1.0 3.04 4.56 964 791 A 143 LEU HA A 144 THR H 1.0 2.56 3.84 965 792 A 76 SER HA A 144 THR HG2% 1.0 3.51 5.27 966 793 A 144 THR HA A 77 VAL H 1.0 2.97 4.45 967 794 A 144 THR HG2% A 78 ASN HA 1.0 3.31 4.96 968 795 A 79 LEU HG A 144 THR HA 1.0 3.56 5.34 969 796 A 144 THR HA A 79 LEU HDx% 1.0 3.52 5.28 970 796 A 79 LEU HDy% A 144 THR HA 1.0 3.52 5.28 971 797 A 143 LEU HG A 144 THR H 1.0 2.76 4.15 972 798 A 143 LEU HDy% A 144 THR H 1.0 2.83 4.25 973 798 A 144 THR H A 143 LEU HDx% 1.0 2.83 4.25 974 799 A 144 THR HG2% A 144 THR HA 1.0 2.86 4.30 975 800 A 144 THR HA A 144 THR HB 1.0 2.64 3.96 976 801 A 144 THR HG2% A 144 THR H 1.0 3.26 4.90 977 802 A 144 THR HB A 144 THR H 1.0 2.66 3.99 978 803 A 144 THR H A 145 VAL H 1.0 2.79 4.18 979 804 A 144 THR HA A 145 VAL H 1.0 2.48 3.71 980 805 A 144 THR HG2% A 145 VAL H 1.0 2.91 4.37 981 806 A 144 THR H A 145 VAL H 1.0 2.79 4.45 982 807 A 144 THR HB A 145 VAL H 1.0 3.15 4.72 983 808 A 144 THR H A 145 VAL H 1.0 2.79 4.18 984 809 A 146 ASP HBy A 144 THR HG2% 1.0 2.86 4.29 985 810 A 146 ASP HBx A 144 THR HG2% 1.0 2.88 4.32 986 811 A 77 VAL HB A 145 VAL HB 1.0 2.80 4.21 987 812 A 145 VAL HB A 135 SER HA 1.0 3.14 4.71 988 813 A 145 VAL HA A 135 SER H 1.0 2.10 3.15 989 814 A 145 VAL HGx% A 135 SER H 1.0 3.21 4.82 990 815 A 145 VAL HGy% A 136 SER H 1.0 3.32 4.98 991 816 A 145 VAL HA A 145 VAL H 1.0 3.20 4.80 992 817 A 145 VAL HB A 145 VAL H 1.0 2.84 4.25 993 818 A 145 VAL HGx% A 145 VAL H 1.0 3.12 4.68 994 819 A 145 VAL HGy% A 145 VAL H 1.0 3.17 4.75 995 820 A 146 ASP HBx A 145 VAL HGx% 1.0 3.76 5.64 996 821 A 145 VAL HGx% A 146 ASP H 1.0 2.56 3.85 997 822 A 145 VAL HA A 146 ASP H 1.0 2.31 3.47 998 823 A 145 VAL HGy% A 146 ASP H 1.0 3.06 4.59 999 824 A 146 ASP HBx A 76 SER HA 1.0 2.64 3.76 1000 825 A 146 ASP HBx A 76 SER HA 1.0 2.64 3.96 1001 826 A 146 ASP HBy A 76 SER HA 1.0 2.51 3.88 1002 827 A 146 ASP HBy A 76 SER HA 1.0 2.51 3.77 1003 828 A 134 THR H A 146 ASP H 1.0 2.86 4.02 1004 829 A 134 THR H A 146 ASP H 1.0 2.86 4.28 1005 830 A 146 ASP HBy A 145 VAL HA 1.0 3.23 4.84 1006 831 A 146 ASP HBx A 145 VAL HA 1.0 3.27 4.91 1007 832 A 146 ASP HBx A 146 ASP HA 1.0 2.60 3.61 1008 833 A 146 ASP HBy A 146 ASP HA 1.0 2.62 3.65 1009 834 A 146 ASP HBy A 146 ASP HA 1.0 2.62 3.93 1010 835 A 146 ASP HBx A 146 ASP HA 1.0 2.60 3.91 1011 836 A 146 ASP HA A 146 ASP H 1.0 2.86 4.29 1012 837 A 146 ASP HBx A 146 ASP H 1.0 2.74 4.11 1013 838 A 146 ASP HBy A 146 ASP H 1.0 2.73 4.09 1014 839 A 146 ASP HBx A 147 GLY H 1.0 2.96 4.43 1015 840 A 146 ASP HA A 147 GLY H 1.0 2.73 4.09 1016 841 A 132 THR HA A 147 GLY HAx 1.0 2.88 4.32 1017 842 A 147 GLY HAy A 133 ILE HB 1.0 3.09 4.85 1018 843 A 147 GLY HAx A 133 ILE HB 1.0 2.96 4.43 1019 844 A 147 GLY HAy A 133 ILE HB 1.0 3.09 4.64 1020 845 A 133 ILE HD1% A 147 GLY HAx 1.0 3.75 5.62 1021 846 A 147 GLY HAy A 147 GLY HAx 1.0 2.61 3.92 1022 847 A 147 GLY HAx A 147 GLY H 1.0 3.09 4.63 1023 848 A 147 GLY HAy A 147 GLY H 1.0 3.18 4.77 1024 849 A 147 GLY HAx A 148 PRO HD2 1.0 3.02 4.53 1025 849 A 148 PRO HD3 A 147 GLY HAx 1.0 3.02 4.53 1026 850 A 147 GLY HAx A 149 ARG H 1.0 2.58 3.87 1027 851 A 148 PRO HA A 148 PRO HD2 1.0 3.19 4.78 1028 851 A 148 PRO HA A 148 PRO HD3 1.0 3.19 4.78 1029 852 A 148 PRO HA A 148 PRO HB2 1.0 2.18 3.27 1030 852 A 148 PRO HA A 148 PRO HB3 1.0 2.18 3.27 1031 853 A 148 PRO HA A 148 PRO HG2 1.0 2.24 3.36 1032 853 A 148 PRO HA A 148 PRO HG3 1.0 2.24 3.36 1033 854 A 149 ARG H A 148 PRO HB2 1.0 3.21 4.81 1034 854 A 148 PRO HB3 A 149 ARG H 1.0 3.21 4.81 1035 855 A 149 ARG HB3 A 149 ARG H 1.0 2.95 4.43 1036 855 A 149 ARG H A 149 ARG HB2 1.0 2.95 4.43 1037 856 A 149 ARG H A 150 LYS H 1.0 3.00 4.51 1038 857 A 150 LYS HD3 A 150 LYS H 1.0 2.21 3.32 1039 857 A 150 LYS H A 150 LYS HD2 1.0 2.21 3.32 1040 858 A 150 LYS HA A 150 LYS H 1.0 2.42 3.62 1041 859 A 150 LYS HG3 A 150 LYS H 1.0 2.11 3.16 1042 859 A 150 LYS H A 150 LYS HG2 1.0 2.11 3.16 1043 860 A 150 LYS H A 151 GLN H 1.0 2.42 4.29 1044 861 A 150 LYS HA A 151 GLN H 1.0 1.80 2.55 1045 862 A 150 LYS HG3 A 151 GLN H 1.0 2.28 3.42 1046 862 A 151 GLN H A 150 LYS HG2 1.0 2.28 3.42 1047 863 A 150 LYS H A 151 GLN H 1.0 2.42 3.63 1048 864 A 151 GLN HB3 A 151 GLN H 1.0 1.93 2.90 1049 864 A 151 GLN H A 151 GLN HB2 1.0 1.93 2.90 1050 865 A 151 GLN HG3 A 151 GLN H 1.0 2.09 3.14 1051 865 A 151 GLN H A 151 GLN HG2 1.0 2.09 3.14 1052 866 A 151 GLN H A 152 VAL H 1.0 2.53 3.79 1053 867 A 152 VAL HG2% A 152 VAL H 1.0 2.09 3.14 1054 867 A 152 VAL H A 152 VAL HG1% 1.0 2.09 3.14 1055 868 B 66 SER HA B 66 SER HBy 1.0 2.06 3.09 1056 869 B 66 SER HA B 66 SER HBx 1.0 2.07 3.10 1057 870 B 66 SER HBy B 66 SER H 1.0 3.01 4.51 1058 871 B 66 SER HA B 79 LEU HD11 1.0 3.72 5.59 1059 871 B 66 SER HA B 79 LEU HD21 1.0 3.72 5.59 1060 872 B 67 GLU H B 67 GLU HA 1.0 1.80 2.68 1061 873 B 67 GLU H B 67 GLU HGx 1.0 2.00 3.00 1062 873 B 67 GLU H B 67 GLU HGy 1.0 2.00 3.00 1063 874 B 68 MET HA B 68 MET HGx 1.0 2.56 3.84 1064 874 B 68 MET HA B 68 MET HGy 1.0 2.56 3.84 1065 875 B 68 MET H B 68 MET HGx 1.0 2.76 4.14 1066 875 B 68 MET HGy B 68 MET H 1.0 2.76 4.14 1067 876 B 68 MET H B 68 MET HE1 1.0 3.19 4.79 1068 877 B 68 MET HA B 68 MET H 1.0 2.68 4.03 1069 878 B 69 ARG H B 68 MET HGx 1.0 2.99 4.49 1070 878 B 68 MET HGy B 69 ARG H 1.0 2.99 4.49 1071 879 B 68 MET HE1 B 70 LEU HD11 1.0 3.32 4.98 1072 879 B 68 MET HE1 B 70 LEU HD21 1.0 3.32 4.98 1073 880 B 68 MET HE1 B 122 TYR HE% 1.0 3.72 5.58 1074 881 B 68 MET HE1 B 122 TYR HD% 1.0 3.21 4.82 1075 882 B 70 LEU H B 69 ARG HA 1.0 1.91 2.86 1076 883 B 70 LEU H B 70 LEU HBy 1.0 2.48 3.72 1077 884 B 70 LEU H B 70 LEU HBx 1.0 1.99 2.98 1078 885 B 70 LEU H B 70 LEU HD11 1.0 3.82 4.78 1079 885 B 70 LEU HD21 B 70 LEU H 1.0 3.82 4.78 1080 886 B 70 LEU H B 70 LEU HD11 1.0 3.82 5.00 1081 886 B 70 LEU HD21 B 70 LEU H 1.0 3.82 5.00 1082 887 B 70 LEU HBx B 71 GLU H 1.0 2.06 3.10 1083 888 B 71 GLU H B 70 LEU HD11 1.0 2.74 4.11 1084 888 B 70 LEU HD21 B 71 GLU H 1.0 2.74 4.11 1085 889 B 70 LEU HBx B 74 ARG H 1.0 2.54 3.81 1086 890 B 70 LEU HBy B 74 ARG H 1.0 2.47 3.70 1087 891 B 71 GLU H B 69 ARG HGx 1.0 2.06 3.09 1088 891 B 71 GLU H B 69 ARG HGy 1.0 2.06 3.09 1089 892 B 71 GLU H B 71 GLU HGx 1.0 2.78 4.17 1090 892 B 71 GLU H B 71 GLU HGy 1.0 2.78 4.17 1091 893 B 71 GLU H B 76 SER H 1.0 2.72 4.08 1092 894 B 72 LYS H B 71 GLU HA 1.0 2.55 3.82 1093 895 B 72 LYS H B 72 LYS HA 1.0 2.84 4.26 1094 896 B 72 LYS H B 72 LYS HBx 1.0 2.44 3.66 1095 896 B 72 LYS H B 72 LYS HBy 1.0 2.44 3.66 1096 897 B 72 LYS H B 72 LYS HGx 1.0 2.90 4.35 1097 897 B 72 LYS H B 72 LYS HGy 1.0 2.90 4.35 1098 898 B 73 ASP H B 72 LYS HBx 1.0 2.41 3.62 1099 898 B 72 LYS HBy B 73 ASP H 1.0 2.41 3.62 1100 899 B 72 LYS H B 73 ASP H 1.0 3.01 4.51 1101 900 B 73 ASP H B 73 ASP HA 1.0 2.43 3.65 1102 901 B 73 ASP H B 73 ASP HBx 1.0 2.37 3.55 1103 901 B 73 ASP H B 73 ASP HBy 1.0 2.37 3.55 1104 902 B 73 ASP H B 74 ARG HBx 1.0 3.02 4.53 1105 903 B 74 ARG H B 73 ASP HBx 1.0 2.64 3.95 1106 903 B 74 ARG H B 73 ASP HBy 1.0 2.64 3.95 1107 904 B 74 ARG H B 73 ASP H 1.0 2.48 3.67 1108 905 B 74 ARG H B 73 ASP H 1.0 2.48 3.72 1109 906 B 73 ASP H B 74 ARG HGx 1.0 2.66 4.00 1110 906 B 73 ASP H B 74 ARG HGy 1.0 2.66 4.00 1111 907 B 74 ARG H B 73 ASP HA 1.0 2.20 3.30 1112 908 B 74 ARG H B 74 ARG HGx 1.0 2.34 3.51 1113 908 B 74 ARG H B 74 ARG HGy 1.0 2.34 3.51 1114 909 B 74 ARG H B 74 ARG HBy 1.0 3.06 4.59 1115 910 B 74 ARG H B 75 PHE H 1.0 2.93 4.84 1116 911 B 74 ARG H B 75 PHE H 1.0 2.93 4.40 1117 912 B 75 PHE HA B 74 ARG HGx 1.0 2.91 4.37 1118 912 B 74 ARG HGy B 75 PHE HA 1.0 2.91 4.37 1119 913 B 75 PHE HA B 75 PHE HBy 1.0 2.75 4.12 1120 914 B 75 PHE HA B 75 PHE HD% 1.0 2.94 4.41 1121 915 B 75 PHE HA B 75 PHE HBx 1.0 2.71 4.07 1122 916 B 75 PHE H B 75 PHE HA 1.0 2.83 4.24 1123 917 B 75 PHE H B 75 PHE HD% 1.0 3.38 5.00 1124 918 B 76 SER H B 75 PHE HA 1.0 2.41 3.62 1125 919 B 75 PHE HE% B 98 ILE HD11 1.0 3.68 5.51 1126 920 B 75 PHE HE% B 133 ILE HD11 1.0 3.43 5.14 1127 921 B 75 PHE HD% B 146 ASP HBx 1.0 3.78 5.67 1128 922 B 75 PHE HD% B 146 ASP HBy 1.0 3.81 5.71 1129 923 B 75 PHE HD% B 148 PRO HA 1.0 3.55 5.33 1130 924 B 75 PHE H B 149 ARG H 1.0 3.38 5.00 1131 925 B 75 PHE HD% B 76 SER HBx 1.0 3.83 5.74 1132 926 B 75 PHE HD% B 76 SER HBy 1.0 3.92 5.89 1133 927 B 76 SER HBx B 76 SER HA 1.0 2.34 3.51 1134 928 B 76 SER HBy B 76 SER HA 1.0 2.40 3.60 1135 929 B 76 SER H B 76 SER HBx 1.0 3.20 4.80 1136 930 B 76 SER HBy B 77 VAL H 1.0 3.03 4.55 1137 931 B 76 SER HBx B 77 VAL H 1.0 2.89 4.34 1138 932 B 76 SER HBy B 144 THR HG21 1.0 3.46 5.19 1139 933 B 76 SER HBx B 144 THR HG21 1.0 3.30 4.95 1140 934 B 146 ASP HBy B 76 SER HBy 1.0 2.84 4.39 1141 935 B 146 ASP HBx B 76 SER HBx 1.0 2.78 4.31 1142 936 B 76 SER HBx B 146 ASP HA 1.0 2.77 4.21 1143 937 B 146 ASP HBy B 76 SER HBy 1.0 2.84 4.32 1144 938 B 146 ASP HBy B 76 SER HBx 1.0 2.80 4.28 1145 939 B 146 ASP HBy B 76 SER HBx 1.0 2.80 4.21 1146 940 B 146 ASP HBy B 76 SER HBy 1.0 2.84 4.26 1147 941 B 76 SER HA B 146 ASP HA 1.0 2.39 3.48 1148 942 B 146 ASP HBx B 76 SER HBx 1.0 2.78 4.17 1149 943 B 76 SER HBx B 146 ASP HA 1.0 2.77 4.16 1150 944 B 146 ASP HBx B 76 SER HBy 1.0 2.78 4.17 1151 945 B 76 SER HA B 146 ASP HA 1.0 2.39 3.58 1152 946 B 68 MET HE1 B 77 VAL HG21 1.0 3.48 6.32 1153 947 B 68 MET HA B 77 VAL HA 1.0 2.51 3.77 1154 948 B 68 MET HE1 B 77 VAL HG11 1.0 4.01 6.02 1155 949 B 68 MET HA B 77 VAL HG21 1.0 3.40 5.10 1156 950 B 68 MET HA B 77 VAL HG11 1.0 3.73 5.59 1157 951 B 68 MET HE1 B 77 VAL HG21 1.0 3.48 5.22 1158 952 B 75 PHE HD% B 77 VAL HB 1.0 3.80 5.71 1159 953 B 77 VAL HG21 B 75 PHE HZ 1.0 3.41 5.11 1160 954 B 75 PHE HD% B 77 VAL HG21 1.0 3.38 5.07 1161 955 B 76 SER HA B 77 VAL HG11 1.0 1.80 5.00 1162 956 B 77 VAL HG21 B 77 VAL HA 1.0 3.01 4.74 1163 957 B 77 VAL HA B 77 VAL HB 1.0 2.67 4.12 1164 958 B 77 VAL HG11 B 77 VAL HB 1.0 2.91 4.37 1165 959 B 77 VAL HA B 77 VAL HG11 1.0 3.09 4.46 1166 960 B 77 VAL HA B 77 VAL HG11 1.0 3.09 4.64 1167 961 B 77 VAL HA B 77 VAL HB 1.0 2.67 4.00 1168 962 B 77 VAL HG21 B 77 VAL HA 1.0 3.01 4.52 1169 963 B 77 VAL HG21 B 77 VAL HB 1.0 3.07 4.60 1170 964 B 77 VAL H B 77 VAL HG21 1.0 3.31 4.97 1171 965 B 77 VAL H B 77 VAL HG11 1.0 3.81 5.00 1172 966 B 77 VAL HG21 B 78 ASN HBy 1.0 3.30 4.95 1173 967 B 77 VAL HG11 B 78 ASN HBy 1.0 3.58 5.36 1174 968 B 77 VAL HA B 78 ASN HBy 1.0 3.18 4.77 1175 969 B 77 VAL HG11 B 78 ASN H 1.0 2.95 4.42 1176 970 B 77 VAL H B 78 ASN H 1.0 2.80 4.20 1177 971 B 77 VAL HG21 B 79 LEU HBx 1.0 2.99 4.49 1178 971 B 77 VAL HG21 B 79 LEU HBy 1.0 2.99 4.49 1179 972 B 77 VAL HG21 B 79 LEU HG 1.0 2.83 4.25 1180 973 B 77 VAL HG11 B 79 LEU HBx 1.0 3.25 4.88 1181 973 B 77 VAL HG11 B 79 LEU HBy 1.0 3.25 4.88 1182 974 B 77 VAL HG11 B 79 LEU HG 1.0 2.69 4.03 1183 975 B 77 VAL HG11 B 79 LEU H 1.0 4.00 5.00 1184 976 B 77 VAL HG21 B 79 LEU H 1.0 4.00 5.00 1185 977 B 98 ILE HD11 B 77 VAL HG11 1.0 4.02 6.02 1186 978 B 122 TYR HE% B 77 VAL HG11 1.0 3.65 5.48 1187 979 B 122 TYR HD% B 77 VAL HG11 1.0 3.60 5.40 1188 980 B 77 VAL HB B 145 VAL HG21 1.0 3.18 4.76 1189 981 B 77 VAL HG21 B 145 VAL HG11 1.0 4.08 6.11 1190 982 B 77 VAL HG11 B 145 VAL H 1.0 3.84 5.00 1191 983 B 77 VAL H B 145 VAL H 1.0 3.00 4.51 1192 984 B 77 VAL HG21 B 145 VAL H 1.0 3.54 5.00 1193 985 B 146 ASP HBy B 77 VAL HB 1.0 3.13 4.70 1194 986 B 146 ASP HBx B 77 VAL HB 1.0 3.19 4.78 1195 987 B 78 ASN HA B 78 ASN HBx 1.0 2.70 4.06 1196 988 B 78 ASN HBy B 78 ASN HA 1.0 2.66 3.99 1197 989 B 78 ASN H B 78 ASN HA 1.0 2.84 4.25 1198 990 B 78 ASN H B 78 ASN HBx 1.0 2.64 3.96 1199 991 B 78 ASN HD2x B 78 ASN HD2y 1.0 1.80 2.42 1200 992 B 78 ASN HBy B 78 ASN H 1.0 2.51 3.76 1201 993 B 78 ASN H B 78 ASN HD2y 1.0 3.36 5.00 1202 994 B 78 ASN HA B 79 LEU HD11 1.0 3.26 4.89 1203 994 B 79 LEU HD21 B 78 ASN HA 1.0 3.26 4.89 1204 995 B 79 LEU H B 78 ASN HA 1.0 2.47 3.70 1205 996 B 79 LEU H B 78 ASN HBx 1.0 2.80 4.21 1206 997 B 78 ASN HBy B 79 LEU H 1.0 2.85 4.27 1207 998 B 78 ASN HA B 144 THR HA 1.0 2.49 3.81 1208 999 B 78 ASN HA B 144 THR HA 1.0 2.49 3.73 1209 1000 B 145 VAL H B 78 ASN HA 1.0 2.99 4.48 1210 1001 B 78 ASN H B 79 LEU H 1.0 3.09 4.82 1211 1002 B 78 ASN H B 79 LEU H 1.0 3.09 4.63 1212 1003 B 78 ASN H B 79 LEU HD11 1.0 3.65 5.00 1213 1003 B 79 LEU HD21 B 78 ASN H 1.0 3.65 5.00 1214 1004 B 79 LEU HG B 79 LEU HA 1.0 2.20 3.30 1215 1005 B 79 LEU HA B 79 LEU HD11 1.0 2.45 3.67 1216 1005 B 79 LEU HD21 B 79 LEU HA 1.0 2.45 3.67 1217 1006 B 79 LEU H B 79 LEU HD11 1.0 2.89 4.51 1218 1006 B 79 LEU HD21 B 79 LEU H 1.0 2.89 4.51 1219 1007 B 79 LEU H B 79 LEU HD11 1.0 2.89 4.34 1220 1007 B 79 LEU HD21 B 79 LEU H 1.0 2.89 4.34 1221 1008 B 79 LEU H B 79 LEU HA 1.0 2.83 4.25 1222 1009 B 80 ASP H B 79 LEU HD11 1.0 3.07 5.00 1223 1009 B 79 LEU HD21 B 80 ASP H 1.0 3.07 5.00 1224 1010 B 79 LEU HG B 80 ASP H 1.0 2.85 4.27 1225 1011 B 80 ASP H B 79 LEU HD11 1.0 3.07 4.61 1226 1011 B 79 LEU HD21 B 80 ASP H 1.0 3.07 4.61 1227 1012 B 79 LEU H B 80 ASP H 1.0 3.17 4.75 1228 1013 B 80 ASP H B 80 ASP HBy 1.0 2.60 3.90 1229 1014 B 80 ASP H B 80 ASP HA 1.0 2.39 3.59 1230 1015 B 80 ASP H B 80 ASP HBx 1.0 2.67 4.01 1231 1016 B 80 ASP HA B 81 VAL H 1.0 2.82 4.23 1232 1017 B 81 VAL HG11 B 79 LEU HBx 1.0 2.87 4.30 1233 1017 B 79 LEU HBy B 81 VAL HG11 1.0 2.87 4.30 1234 1018 B 79 LEU HG B 81 VAL HG11 1.0 3.25 4.88 1235 1019 B 80 ASP HA B 81 VAL HG21 1.0 2.91 4.37 1236 1020 B 80 ASP HA B 81 VAL HG11 1.0 3.29 4.94 1237 1021 B 81 VAL HG21 B 81 VAL HA 1.0 2.84 4.26 1238 1022 B 81 VAL HG11 B 81 VAL HA 1.0 2.89 4.34 1239 1023 B 81 VAL H B 81 VAL HG11 1.0 2.94 4.41 1240 1024 B 81 VAL H B 81 VAL HG21 1.0 2.83 4.25 1241 1025 B 81 VAL H B 81 VAL HB 1.0 2.26 3.39 1242 1026 B 81 VAL H B 82 LYS H 1.0 2.79 3.84 1243 1027 B 81 VAL H B 82 LYS H 1.0 2.79 4.18 1244 1028 B 81 VAL H B 82 LYS HA 1.0 3.13 4.69 1245 1029 B 81 VAL HG21 B 82 LYS H 1.0 2.99 4.48 1246 1030 B 81 VAL HG21 B 83 HIS H 1.0 3.46 5.00 1247 1031 B 81 VAL HG21 B 84 PHE H 1.0 3.28 4.92 1248 1032 B 81 VAL HG21 B 118 PHE HD% 1.0 3.34 5.01 1249 1033 B 81 VAL HG11 B 118 PHE HD% 1.0 3.48 5.23 1250 1034 B 81 VAL H B 141 GLY HAy 1.0 2.61 3.91 1251 1035 B 81 VAL HG21 B 143 LEU HA 1.0 3.60 5.41 1252 1036 B 82 LYS H B 82 LYS HA 1.0 2.68 4.03 1253 1037 B 81 VAL HB B 83 HIS H 1.0 2.96 4.44 1254 1038 B 83 HIS H B 82 LYS HGx 1.0 3.12 4.68 1255 1038 B 83 HIS H B 82 LYS HGy 1.0 3.12 4.68 1256 1039 B 83 HIS HA B 83 HIS HBy 1.0 2.99 3.41 1257 1040 B 83 HIS HA B 83 HIS HD2 1.0 2.83 4.25 1258 1041 B 83 HIS HA B 83 HIS HBx 1.0 2.67 3.70 1259 1042 B 83 HIS HA B 83 HIS HBx 1.0 2.67 4.00 1260 1043 B 83 HIS HD2 B 83 HIS HBx 1.0 3.30 4.95 1261 1044 B 83 HIS HA B 83 HIS HBy 1.0 2.99 4.48 1262 1045 B 83 HIS H B 83 HIS HBx 1.0 2.89 4.33 1263 1046 B 83 HIS H B 83 HIS HA 1.0 2.77 4.16 1264 1047 B 83 HIS H B 83 HIS HBy 1.0 3.07 4.61 1265 1048 B 83 HIS HBy B 84 PHE HBx 1.0 3.36 5.03 1266 1048 B 83 HIS HBy B 84 PHE HBy 1.0 3.36 5.03 1267 1049 B 84 PHE H B 83 HIS HA 1.0 2.97 4.46 1268 1050 B 83 HIS H B 84 PHE H 1.0 2.92 4.16 1269 1051 B 83 HIS H B 84 PHE H 1.0 2.92 4.38 1270 1052 B 83 HIS HBx B 104 HIS HBy 1.0 3.07 4.61 1271 1053 B 83 HIS HBy B 104 HIS HBy 1.0 3.46 5.18 1272 1054 B 83 HIS HBx B 104 HIS HD2 1.0 3.63 5.44 1273 1055 B 83 HIS H B 141 GLY HAy 1.0 3.10 4.65 1274 1056 B 81 VAL HB B 84 PHE H 1.0 3.27 4.91 1275 1057 B 82 LYS H B 84 PHE HE% 1.0 3.52 5.00 1276 1058 B 82 LYS H B 84 PHE HD% 1.0 3.58 5.00 1277 1059 B 83 HIS HBx B 84 PHE HD% 1.0 3.43 5.15 1278 1060 B 83 HIS HA B 84 PHE HD% 1.0 3.28 4.92 1279 1061 B 83 HIS H B 84 PHE HD% 1.0 3.92 5.00 1280 1062 B 84 PHE H B 84 PHE HD% 1.0 3.36 5.00 1281 1063 B 84 PHE H B 84 PHE HBx 1.0 2.99 4.30 1282 1063 B 84 PHE H B 84 PHE HBy 1.0 2.99 4.30 1283 1064 B 84 PHE H B 84 PHE HE% 1.0 3.38 5.00 1284 1065 B 84 PHE H B 84 PHE HBx 1.0 2.99 4.49 1285 1065 B 84 PHE H B 84 PHE HBy 1.0 2.99 4.49 1286 1066 B 85 SER H B 84 PHE HBx 1.0 3.03 4.54 1287 1066 B 84 PHE HBy B 85 SER H 1.0 3.03 4.54 1288 1067 B 84 PHE HD% B 85 SER H 1.0 3.70 5.00 1289 1068 B 84 PHE HD% B 89 LEU HA 1.0 3.87 5.81 1290 1069 B 84 PHE HD% B 104 HIS HA 1.0 3.28 4.92 1291 1070 B 84 PHE HE% B 116 ARG H 1.0 3.90 5.00 1292 1071 B 84 PHE H B 85 SER H 1.0 3.28 4.96 1293 1072 B 84 PHE H B 85 SER H 1.0 3.28 4.92 1294 1073 B 85 SER HA B 85 SER HBy 1.0 2.30 3.45 1295 1074 B 85 SER HA B 85 SER HBx 1.0 2.24 3.36 1296 1075 B 85 SER H B 85 SER HBx 1.0 2.69 4.04 1297 1076 B 85 SER HBy B 87 GLU HBx 1.0 2.51 3.77 1298 1076 B 85 SER HBy B 87 GLU HBy 1.0 2.51 3.77 1299 1077 B 85 SER HBy B 87 GLU HGx 1.0 2.76 4.15 1300 1077 B 85 SER HBy B 87 GLU HGy 1.0 2.76 4.15 1301 1078 B 85 SER HBy B 87 GLU H 1.0 2.68 4.02 1302 1079 B 85 SER HBy B 88 GLU H 1.0 2.99 4.48 1303 1080 B 85 SER H B 88 GLU H 1.0 3.10 4.60 1304 1081 B 85 SER H B 88 GLU H 1.0 3.10 4.64 1305 1082 B 85 SER HBx B 89 LEU H 1.0 3.20 4.81 1306 1083 B 85 SER HBy B 89 LEU H 1.0 2.86 4.29 1307 1084 B 84 PHE HD% B 86 PRO HBx 1.0 3.61 5.41 1308 1084 B 84 PHE HD% B 86 PRO HBy 1.0 3.61 5.41 1309 1085 B 85 SER HA B 86 PRO HBx 1.0 2.87 4.30 1310 1085 B 85 SER HA B 86 PRO HBy 1.0 2.87 4.30 1311 1086 B 89 LEU HD21 B 86 PRO HBx 1.0 2.84 4.26 1312 1086 B 86 PRO HBy B 89 LEU HD21 1.0 2.84 4.26 1313 1087 B 87 GLU H B 87 GLU HA 1.0 2.45 3.67 1314 1088 B 87 GLU H B 87 GLU HGx 1.0 2.25 3.38 1315 1088 B 87 GLU HGy B 87 GLU H 1.0 2.25 3.38 1316 1089 B 87 GLU H B 87 GLU HBx 1.0 2.21 3.32 1317 1089 B 87 GLU HBy B 87 GLU H 1.0 2.21 3.32 1318 1090 B 87 GLU H B 88 GLU HBx 1.0 2.35 3.53 1319 1090 B 87 GLU H B 88 GLU HBy 1.0 2.35 3.53 1320 1091 B 87 GLU H B 88 GLU HGx 1.0 3.03 4.55 1321 1091 B 87 GLU H B 88 GLU HGy 1.0 3.03 4.55 1322 1092 B 87 GLU H B 88 GLU H 1.0 2.59 3.98 1323 1093 B 88 GLU H B 87 GLU HGx 1.0 2.63 3.95 1324 1093 B 87 GLU HGy B 88 GLU H 1.0 2.63 3.95 1325 1094 B 88 GLU H B 87 GLU HBx 1.0 2.78 4.18 1326 1094 B 87 GLU HBy B 88 GLU H 1.0 2.78 4.18 1327 1095 B 87 GLU H B 88 GLU H 1.0 2.59 3.89 1328 1096 B 87 GLU H B 89 LEU H 1.0 2.75 4.54 1329 1097 B 87 GLU H B 89 LEU H 1.0 2.75 4.12 1330 1098 B 89 LEU H B 87 GLU HBx 1.0 2.81 4.21 1331 1098 B 87 GLU HBy B 89 LEU H 1.0 2.81 4.21 1332 1099 B 88 GLU H B 86 PRO HDx 1.0 3.17 4.76 1333 1099 B 88 GLU H B 86 PRO HDy 1.0 3.17 4.76 1334 1100 B 88 GLU H B 87 GLU HA 1.0 2.88 4.32 1335 1101 B 88 GLU H B 88 GLU HA 1.0 2.59 3.89 1336 1102 B 88 GLU H B 89 LEU HBx 1.0 3.07 4.61 1337 1102 B 88 GLU H B 89 LEU HBy 1.0 3.07 4.61 1338 1103 B 85 SER HBx B 89 LEU HD21 1.0 3.48 5.22 1339 1104 B 85 SER H B 89 LEU H 1.0 3.10 4.66 1340 1105 B 85 SER H B 89 LEU HD11 1.0 3.94 5.00 1341 1106 B 89 LEU H B 87 GLU HA 1.0 2.46 3.69 1342 1107 B 89 LEU H B 88 GLU HGx 1.0 2.57 3.85 1343 1107 B 89 LEU H B 88 GLU HGy 1.0 2.57 3.85 1344 1108 B 88 GLU H B 89 LEU H 1.0 2.18 3.63 1345 1109 B 88 GLU H B 89 LEU H 1.0 2.18 3.27 1346 1110 B 88 GLU H B 89 LEU HD11 1.0 4.00 5.00 1347 1111 B 88 GLU H B 89 LEU HD21 1.0 3.48 5.00 1348 1112 B 89 LEU HA B 89 LEU HD21 1.0 2.49 3.74 1349 1113 B 89 LEU H B 89 LEU HG 1.0 2.36 3.54 1350 1114 B 89 LEU H B 89 LEU HBx 1.0 2.21 3.31 1351 1114 B 89 LEU H B 89 LEU HBy 1.0 2.21 3.31 1352 1115 B 89 LEU H B 89 LEU HD11 1.0 3.02 4.52 1353 1116 B 89 LEU HA B 89 LEU H 1.0 2.61 3.91 1354 1117 B 89 LEU H B 89 LEU HD21 1.0 2.75 4.13 1355 1118 B 89 LEU HG B 90 LYS H 1.0 2.90 4.35 1356 1119 B 89 LEU H B 90 LYS H 1.0 2.78 4.17 1357 1120 B 89 LEU HA B 90 LYS H 1.0 2.47 3.71 1358 1121 B 89 LEU HD11 B 91 VAL HB 1.0 2.33 3.49 1359 1122 B 89 LEU HA B 102 GLY HAy 1.0 2.81 3.89 1360 1123 B 89 LEU HA B 102 GLY HAy 1.0 2.81 4.22 1361 1124 B 89 LEU HD11 B 102 GLY HAy 1.0 3.63 5.04 1362 1125 B 89 LEU HD11 B 102 GLY HAy 1.0 3.63 5.45 1363 1126 B 89 LEU HD11 B 103 LYS H 1.0 3.37 5.00 1364 1127 B 89 LEU HD21 B 103 LYS H 1.0 3.64 5.00 1365 1128 B 90 LYS HBy B 90 LYS HGx 1.0 2.12 3.18 1366 1128 B 90 LYS HBx B 90 LYS HGx 1.0 2.12 3.18 1367 1128 B 90 LYS HGy B 90 LYS HBx 1.0 2.12 3.18 1368 1128 B 90 LYS HBy B 90 LYS HGy 1.0 2.12 3.18 1369 1129 B 90 LYS HA B 90 LYS HBx 1.0 2.13 3.20 1370 1129 B 90 LYS HBy B 90 LYS HA 1.0 2.13 3.20 1371 1130 B 90 LYS H B 90 LYS HDx 1.0 2.94 4.42 1372 1130 B 90 LYS H B 90 LYS HDy 1.0 2.94 4.42 1373 1131 B 90 LYS H B 90 LYS HGx 1.0 2.84 4.26 1374 1131 B 90 LYS H B 90 LYS HGy 1.0 2.84 4.26 1375 1132 B 90 LYS HA B 91 VAL H 1.0 2.21 3.32 1376 1133 B 101 HIS HBy B 90 LYS HBx 1.0 2.68 4.02 1377 1133 B 90 LYS HBy B 101 HIS HBy 1.0 2.68 4.02 1378 1134 B 101 HIS HBx B 90 LYS HBx 1.0 2.35 3.53 1379 1134 B 90 LYS HBy B 101 HIS HBx 1.0 2.35 3.53 1380 1135 B 91 VAL H B 91 VAL HG21 1.0 2.96 4.44 1381 1136 B 91 VAL H B 91 VAL HG11 1.0 2.85 4.28 1382 1137 B 91 VAL HB B 91 VAL H 1.0 2.42 3.63 1383 1138 B 91 VAL HB B 92 LYS H 1.0 2.55 3.83 1384 1139 B 92 LYS H B 91 VAL HA 1.0 2.38 3.58 1385 1140 B 92 LYS H B 92 LYS HDx 1.0 2.50 5.00 1386 1140 B 92 LYS H B 92 LYS HDy 1.0 2.50 5.00 1387 1141 B 92 LYS H B 92 LYS HDx 1.0 2.50 3.75 1388 1141 B 92 LYS H B 92 LYS HDy 1.0 2.50 3.75 1389 1142 B 92 LYS H B 92 LYS HGx 1.0 2.60 3.89 1390 1142 B 92 LYS H B 92 LYS HGy 1.0 2.60 3.89 1391 1143 B 92 LYS H B 92 LYS HA 1.0 3.20 4.81 1392 1144 B 92 LYS H B 93 VAL H 1.0 2.82 4.54 1393 1145 B 92 LYS H B 93 VAL H 1.0 2.82 4.23 1394 1146 B 92 LYS H B 99 GLU H 1.0 2.94 4.41 1395 1147 B 92 LYS H B 100 VAL HA 1.0 2.69 4.03 1396 1148 B 92 LYS H B 101 HIS H 1.0 3.14 4.71 1397 1149 B 93 VAL H B 92 LYS HGx 1.0 2.45 3.67 1398 1149 B 92 LYS HGy B 93 VAL H 1.0 2.45 3.67 1399 1150 B 92 LYS HA B 93 VAL H 1.0 2.14 3.20 1400 1151 B 93 VAL H B 93 VAL HA 1.0 2.89 4.34 1401 1152 B 93 VAL H B 93 VAL HG11 1.0 2.44 3.66 1402 1152 B 93 VAL H B 93 VAL HG21 1.0 2.44 3.66 1403 1153 B 93 VAL HA B 94 LEU H 1.0 2.22 3.33 1404 1154 B 93 VAL HA B 98 ILE HA 1.0 2.46 3.69 1405 1155 B 99 GLU H B 93 VAL HA 1.0 3.11 4.67 1406 1156 B 94 LEU H B 93 VAL HB 1.0 2.72 4.08 1407 1157 B 94 LEU H B 94 LEU HA 1.0 2.32 3.48 1408 1158 B 94 LEU H B 94 LEU HD11 1.0 2.34 3.51 1409 1158 B 94 LEU H B 94 LEU HD21 1.0 2.34 3.51 1410 1159 B 95 GLY H B 94 LEU HD11 1.0 2.60 3.90 1411 1159 B 94 LEU HD21 B 95 GLY H 1.0 2.60 3.90 1412 1160 B 94 LEU H B 95 GLY H 1.0 3.26 4.89 1413 1161 B 94 LEU H B 97 VAL H 1.0 2.73 4.31 1414 1162 B 94 LEU H B 97 VAL H 1.0 2.73 4.10 1415 1163 B 99 GLU H B 94 LEU H 1.0 2.93 4.40 1416 1164 B 95 GLY HAy B 94 LEU HD11 1.0 3.03 4.55 1417 1164 B 94 LEU HD21 B 95 GLY HAy 1.0 3.03 4.55 1418 1165 B 95 GLY HAy B 94 LEU HBx 1.0 2.62 3.92 1419 1165 B 95 GLY HAy B 94 LEU HBy 1.0 2.62 3.92 1420 1166 B 95 GLY HAx B 94 LEU HD11 1.0 3.32 4.99 1421 1166 B 94 LEU HD21 B 95 GLY HAx 1.0 3.32 4.99 1422 1167 B 95 GLY HAx B 94 LEU HBx 1.0 2.88 4.31 1423 1167 B 94 LEU HBy B 95 GLY HAx 1.0 2.88 4.31 1424 1168 B 95 GLY H B 94 LEU HG 1.0 2.66 4.00 1425 1169 B 95 GLY H B 95 GLY HAx 1.0 2.22 3.33 1426 1170 B 95 GLY H B 95 GLY HAy 1.0 2.22 3.33 1427 1171 B 95 GLY HAx B 96 ASP H 1.0 2.03 3.05 1428 1172 B 95 GLY HAy B 96 ASP H 1.0 2.12 3.18 1429 1173 B 97 VAL H B 95 GLY HAy 1.0 2.73 4.09 1430 1174 B 97 VAL H B 95 GLY HAx 1.0 2.56 3.85 1431 1175 B 95 GLY H B 96 ASP H 1.0 2.51 3.78 1432 1176 B 95 GLY H B 96 ASP H 1.0 2.51 3.77 1433 1177 B 96 ASP HA B 96 ASP HBx 1.0 2.11 3.17 1434 1177 B 96 ASP HA B 96 ASP HBy 1.0 2.11 3.17 1435 1178 B 96 ASP H B 96 ASP HBx 1.0 2.66 3.81 1436 1178 B 96 ASP H B 96 ASP HBy 1.0 2.66 3.81 1437 1179 B 96 ASP H B 96 ASP HA 1.0 2.26 3.39 1438 1180 B 96 ASP H B 96 ASP HBx 1.0 2.66 3.68 1439 1180 B 96 ASP H B 96 ASP HBy 1.0 2.66 3.68 1440 1181 B 96 ASP H B 96 ASP HBx 1.0 2.66 3.99 1441 1181 B 96 ASP H B 96 ASP HBy 1.0 2.66 3.99 1442 1182 B 97 VAL H B 96 ASP H 1.0 2.09 3.08 1443 1183 B 97 VAL H B 96 ASP HA 1.0 2.34 3.51 1444 1184 B 97 VAL H B 96 ASP HBx 1.0 2.84 4.25 1445 1184 B 97 VAL H B 96 ASP HBy 1.0 2.84 4.25 1446 1185 B 97 VAL H B 96 ASP H 1.0 2.09 3.13 1447 1186 B 96 ASP H B 123 ARG HGx 1.0 2.68 4.03 1448 1186 B 96 ASP H B 123 ARG HGy 1.0 2.68 4.03 1449 1187 B 96 ASP HA B 124 ILE H 1.0 2.62 3.93 1450 1188 B 93 VAL HB B 97 VAL H 1.0 2.19 3.29 1451 1189 B 94 LEU HA B 97 VAL HB 1.0 2.79 4.18 1452 1190 B 97 VAL HB B 94 LEU HBx 1.0 2.56 3.83 1453 1190 B 94 LEU HBy B 97 VAL HB 1.0 2.56 3.83 1454 1191 B 95 GLY H B 97 VAL H 1.0 3.05 4.57 1455 1192 B 97 VAL HB B 97 VAL HA 1.0 2.57 3.80 1456 1193 B 97 VAL HB B 97 VAL HA 1.0 2.57 3.86 1457 1194 B 97 VAL HA B 97 VAL HG11 1.0 2.53 3.79 1458 1194 B 97 VAL HA B 97 VAL HG21 1.0 2.53 3.79 1459 1195 B 98 ILE HD11 B 97 VAL HA 1.0 3.53 5.30 1460 1196 B 97 VAL HA B 123 ARG HA 1.0 2.44 3.61 1461 1197 B 97 VAL HA B 123 ARG HA 1.0 2.44 3.67 1462 1198 B 97 VAL HA B 123 ARG HDx 1.0 3.23 4.85 1463 1198 B 97 VAL HA B 123 ARG HDy 1.0 3.23 4.85 1464 1199 B 97 VAL HA B 124 ILE HG1x 1.0 2.89 4.34 1465 1199 B 97 VAL HA B 124 ILE HG1y 1.0 2.89 4.34 1466 1200 B 97 VAL HA B 124 ILE HD11 1.0 3.22 5.04 1467 1201 B 97 VAL HA B 124 ILE HD11 1.0 3.22 4.84 1468 1202 B 97 VAL H B 98 ILE H 1.0 3.12 4.36 1469 1203 B 97 VAL H B 98 ILE H 1.0 3.12 4.67 1470 1204 B 98 ILE HD11 B 98 ILE HB 1.0 2.73 4.10 1471 1205 B 98 ILE HB B 98 ILE HG21 1.0 2.93 4.40 1472 1206 B 98 ILE H B 98 ILE HB 1.0 2.86 4.28 1473 1207 B 98 ILE HD11 B 98 ILE H 1.0 2.64 3.96 1474 1208 B 99 GLU H B 98 ILE HB 1.0 2.89 4.34 1475 1209 B 122 TYR HD% B 98 ILE HD11 1.0 3.82 5.73 1476 1210 B 122 TYR HD% B 98 ILE HG21 1.0 3.29 4.94 1477 1211 B 98 ILE HB B 122 TYR H 1.0 2.94 4.41 1478 1212 B 98 ILE H B 122 TYR H 1.0 3.28 4.55 1479 1213 B 98 ILE H B 122 TYR H 1.0 3.28 4.91 1480 1214 B 98 ILE HD11 B 124 ILE H 1.0 3.43 5.00 1481 1215 B 124 ILE H B 98 ILE H 1.0 3.20 4.80 1482 1216 B 99 GLU H B 93 VAL HG11 1.0 2.75 4.12 1483 1216 B 99 GLU H B 93 VAL HG21 1.0 2.75 4.12 1484 1217 B 98 ILE HG21 B 99 GLU HA 1.0 2.90 4.35 1485 1218 B 99 GLU H B 99 GLU HA 1.0 3.16 4.74 1486 1219 B 100 VAL HG21 B 99 GLU HBx 1.0 2.84 4.26 1487 1219 B 99 GLU HBy B 100 VAL HG21 1.0 2.84 4.26 1488 1220 B 99 GLU H B 100 VAL H 1.0 3.14 4.72 1489 1221 B 99 GLU HA B 100 VAL H 1.0 2.72 4.08 1490 1222 B 99 GLU HBy B 121 LYS HGx 1.0 2.83 4.24 1491 1222 B 99 GLU HBx B 121 LYS HGx 1.0 2.83 4.24 1492 1222 B 121 LYS HGy B 99 GLU HBx 1.0 2.83 4.24 1493 1222 B 99 GLU HBy B 121 LYS HGy 1.0 2.83 4.24 1494 1223 B 121 LYS HA B 99 GLU HBx 1.0 2.71 4.06 1495 1223 B 99 GLU HBy B 121 LYS HA 1.0 2.71 4.06 1496 1224 B 80 ASP HA B 100 VAL HG11 1.0 2.56 3.85 1497 1225 B 92 LYS H B 100 VAL HG11 1.0 2.76 4.13 1498 1226 B 92 LYS H B 100 VAL HG21 1.0 2.81 4.22 1499 1227 B 100 VAL HA B 100 VAL H 1.0 3.15 4.72 1500 1228 B 100 VAL H B 100 VAL HG11 1.0 3.19 4.78 1501 1229 B 100 VAL H B 100 VAL HB 1.0 2.55 3.83 1502 1230 B 101 HIS H B 100 VAL HG21 1.0 3.34 5.00 1503 1231 B 101 HIS H B 100 VAL HG11 1.0 2.93 4.40 1504 1232 B 100 VAL HG11 B 102 GLY H 1.0 3.89 5.00 1505 1233 B 100 VAL HG11 B 120 ARG H 1.0 3.49 5.00 1506 1234 B 101 HIS HBx B 92 LYS HBx 1.0 2.68 4.02 1507 1234 B 101 HIS HBx B 92 LYS HBy 1.0 2.68 4.02 1508 1235 B 101 HIS HBy B 92 LYS HBx 1.0 2.75 4.12 1509 1235 B 101 HIS HBy B 92 LYS HBy 1.0 2.75 4.12 1510 1236 B 100 VAL HA B 101 HIS H 1.0 2.46 3.69 1511 1237 B 101 HIS H B 100 VAL HB 1.0 3.01 4.51 1512 1238 B 101 HIS H B 100 VAL H 1.0 3.06 4.58 1513 1239 B 101 HIS HA B 101 HIS HD2 1.0 2.58 3.87 1514 1240 B 101 HIS HBx B 101 HIS HA 1.0 2.69 3.40 1515 1241 B 101 HIS HBy B 101 HIS HA 1.0 2.53 4.19 1516 1242 B 101 HIS HBy B 101 HIS HA 1.0 2.53 3.79 1517 1243 B 101 HIS HBy B 101 HIS HD2 1.0 3.18 4.76 1518 1244 B 101 HIS HBx B 101 HIS HA 1.0 2.69 4.03 1519 1245 B 101 HIS HBx B 101 HIS H 1.0 2.79 4.19 1520 1246 B 101 HIS HBy B 101 HIS H 1.0 2.86 4.30 1521 1247 B 101 HIS HBx B 102 GLY H 1.0 3.08 4.62 1522 1248 B 102 GLY H B 101 HIS HA 1.0 3.14 4.72 1523 1249 B 101 HIS HBy B 102 GLY H 1.0 3.24 4.85 1524 1250 B 101 HIS HA B 119 HIS HD2 1.0 3.11 4.67 1525 1251 B 120 ARG H B 101 HIS HA 1.0 2.76 4.14 1526 1252 B 102 GLY HAy B 84 PHE HZ 1.0 3.20 4.81 1527 1253 B 102 GLY HAy B 102 GLY HAx 1.0 2.76 4.14 1528 1254 B 102 GLY H B 102 GLY HAx 1.0 2.93 4.40 1529 1255 B 102 GLY HAy B 102 GLY H 1.0 2.58 3.86 1530 1256 B 102 GLY HAy B 103 LYS HBx 1.0 3.30 4.95 1531 1256 B 102 GLY HAy B 103 LYS HBy 1.0 3.30 4.95 1532 1257 B 102 GLY HAy B 103 LYS H 1.0 2.55 3.82 1533 1258 B 102 GLY HAx B 118 PHE H 1.0 3.03 4.54 1534 1259 B 102 GLY H B 118 PHE H 1.0 3.09 4.63 1535 1260 B 103 LYS H B 88 GLU HGx 1.0 3.20 4.80 1536 1260 B 88 GLU HGy B 103 LYS H 1.0 3.20 4.80 1537 1261 B 103 LYS HA B 103 LYS HDx 1.0 2.39 3.58 1538 1261 B 103 LYS HA B 103 LYS HDy 1.0 2.39 3.58 1539 1262 B 103 LYS H B 103 LYS HGx 1.0 3.12 4.68 1540 1262 B 103 LYS H B 103 LYS HGy 1.0 3.12 4.68 1541 1263 B 103 LYS H B 103 LYS HA 1.0 2.76 4.14 1542 1264 B 116 ARG H B 103 LYS HGx 1.0 3.12 4.68 1543 1264 B 116 ARG H B 103 LYS HGy 1.0 3.12 4.68 1544 1265 B 118 PHE H B 103 LYS HDx 1.0 3.32 4.98 1545 1265 B 118 PHE H B 103 LYS HDy 1.0 3.32 4.98 1546 1266 B 118 PHE H B 103 LYS HA 1.0 3.10 4.66 1547 1267 B 84 PHE HE% B 104 HIS HA 1.0 3.39 5.08 1548 1268 B 103 LYS H B 104 HIS H 1.0 3.08 4.62 1549 1269 B 104 HIS HBy B 104 HIS HA 1.0 2.48 4.62 1550 1270 B 104 HIS HD2 B 104 HIS HA 1.0 3.31 4.96 1551 1271 B 104 HIS HA B 104 HIS HBx 1.0 2.89 3.71 1552 1272 B 104 HIS HA B 104 HIS HBx 1.0 2.89 4.33 1553 1273 B 104 HIS HBy B 104 HIS HA 1.0 2.48 3.72 1554 1274 B 104 HIS HA B 105 GLU H 1.0 2.58 3.87 1555 1275 B 104 HIS HBx B 105 GLU H 1.0 2.95 4.43 1556 1276 B 104 HIS H B 116 ARG HBx 1.0 2.96 4.44 1557 1276 B 104 HIS H B 116 ARG HBy 1.0 2.96 4.44 1558 1277 B 105 GLU HA B 105 GLU HGx 1.0 1.96 2.94 1559 1277 B 105 GLU HGy B 105 GLU HA 1.0 1.96 2.94 1560 1278 B 105 GLU H B 105 GLU HBx 1.0 2.61 3.92 1561 1278 B 105 GLU H B 105 GLU HBy 1.0 2.61 3.92 1562 1279 B 105 GLU H B 105 GLU HA 1.0 2.82 4.23 1563 1280 B 105 GLU H B 105 GLU HGx 1.0 2.58 4.16 1564 1280 B 105 GLU H B 105 GLU HGy 1.0 2.58 4.16 1565 1281 B 105 GLU H B 105 GLU HGx 1.0 2.58 3.88 1566 1281 B 105 GLU H B 105 GLU HGy 1.0 2.58 3.88 1567 1282 B 105 GLU HA B 106 GLU H 1.0 2.44 3.66 1568 1283 B 106 GLU H B 105 GLU HGx 1.0 2.57 4.34 1569 1283 B 105 GLU HGy B 106 GLU H 1.0 2.57 4.34 1570 1284 B 106 GLU H B 105 GLU HGx 1.0 2.57 3.86 1571 1284 B 105 GLU HGy B 106 GLU H 1.0 2.57 3.86 1572 1285 B 115 SER HBx B 105 GLU HGx 1.0 2.90 4.35 1573 1285 B 105 GLU HGy B 115 SER HBx 1.0 2.90 4.35 1574 1286 B 116 ARG H B 105 GLU HA 1.0 2.63 3.94 1575 1287 B 106 GLU H B 106 GLU HBx 1.0 2.62 3.93 1576 1287 B 106 GLU H B 106 GLU HBy 1.0 2.62 3.93 1577 1288 B 105 GLU H B 107 ARG HDy 1.0 3.08 4.62 1578 1289 B 107 ARG HBx B 107 ARG HA 1.0 2.20 3.14 1579 1290 B 107 ARG HBx B 107 ARG HA 1.0 2.20 3.30 1580 1291 B 107 ARG HA B 107 ARG HGx 1.0 2.55 3.83 1581 1291 B 107 ARG HA B 107 ARG HGy 1.0 2.55 3.83 1582 1292 B 107 ARG HA B 107 ARG H 1.0 3.09 4.63 1583 1293 B 107 ARG HDy B 107 ARG H 1.0 3.08 4.62 1584 1294 B 107 ARG HBx B 107 ARG H 1.0 2.61 3.92 1585 1295 B 107 ARG H B 107 ARG HGx 1.0 2.90 4.08 1586 1295 B 107 ARG HGy B 107 ARG H 1.0 2.90 4.08 1587 1296 B 107 ARG H B 107 ARG HGx 1.0 2.90 4.35 1588 1296 B 107 ARG HGy B 107 ARG H 1.0 2.90 4.35 1589 1297 B 107 ARG H B 108 GLN H 1.0 2.59 3.88 1590 1298 B 108 GLN H B 107 ARG HGx 1.0 2.14 4.06 1591 1298 B 107 ARG HGy B 108 GLN H 1.0 2.14 4.06 1592 1299 B 108 GLN H B 107 ARG HGx 1.0 2.14 3.21 1593 1299 B 107 ARG HGy B 108 GLN H 1.0 2.14 3.21 1594 1300 B 107 ARG HBx B 108 GLN H 1.0 2.39 3.59 1595 1301 B 107 ARG HDx B 109 ASP H 1.0 3.05 4.58 1596 1302 B 107 ARG HBx B 109 ASP H 1.0 2.64 3.97 1597 1303 B 109 ASP H B 107 ARG HBy 1.0 2.59 3.89 1598 1304 B 107 ARG HBy B 113 PHE HD% 1.0 3.10 4.65 1599 1305 B 107 ARG HBx B 113 PHE HD% 1.0 3.39 5.08 1600 1306 B 107 ARG HDx B 114 ILE HG21 1.0 3.04 4.57 1601 1307 B 107 ARG HBy B 114 ILE HG21 1.0 2.99 4.48 1602 1308 B 108 GLN HA B 108 GLN HGx 1.0 2.01 3.01 1603 1308 B 108 GLN HA B 108 GLN HGy 1.0 2.01 3.01 1604 1309 B 108 GLN HA B 108 GLN HBx 1.0 2.46 3.69 1605 1309 B 108 GLN HA B 108 GLN HBy 1.0 2.46 3.69 1606 1310 B 109 ASP H B 108 GLN HA 1.0 2.73 4.09 1607 1311 B 108 GLN HA B 113 PHE HE% 1.0 3.24 4.86 1608 1312 B 108 GLN HA B 113 PHE H 1.0 2.65 3.98 1609 1313 B 108 GLN H B 109 ASP H 1.0 3.23 4.84 1610 1314 B 109 ASP H B 109 ASP HBx 1.0 3.05 4.57 1611 1314 B 109 ASP H B 109 ASP HBy 1.0 3.05 4.57 1612 1315 B 109 ASP H B 109 ASP HA 1.0 2.33 3.50 1613 1316 B 109 ASP HA B 111 HIS H 1.0 3.09 4.64 1614 1317 B 109 ASP H B 112 GLY H 1.0 2.53 4.31 1615 1318 B 109 ASP H B 112 GLY H 1.0 2.53 3.80 1616 1319 B 109 ASP H B 114 ILE HG1x 1.0 2.87 4.31 1617 1320 B 110 GLU H B 109 ASP HBx 1.0 2.88 4.32 1618 1320 B 109 ASP HBy B 110 GLU H 1.0 2.88 4.32 1619 1321 B 110 GLU H B 110 GLU HA 1.0 3.03 4.54 1620 1322 B 109 ASP HA B 111 HIS HA 1.0 3.21 4.82 1621 1323 B 109 ASP H B 111 HIS H 1.0 3.27 4.91 1622 1324 B 111 HIS H B 109 ASP HBx 1.0 3.44 5.00 1623 1324 B 109 ASP HBy B 111 HIS H 1.0 3.44 5.00 1624 1325 B 111 HIS H B 110 GLU H 1.0 3.39 4.21 1625 1326 B 111 HIS H B 110 GLU H 1.0 3.39 5.00 1626 1327 B 111 HIS H B 110 GLU HA 1.0 2.88 4.33 1627 1328 B 111 HIS HA B 111 HIS HBy 1.0 2.48 3.72 1628 1329 B 111 HIS HA B 111 HIS HBx 1.0 2.25 4.25 1629 1330 B 111 HIS HA B 111 HIS HBx 1.0 2.25 3.38 1630 1331 B 111 HIS H B 111 HIS HD2 1.0 3.38 5.00 1631 1332 B 111 HIS H B 111 HIS HBy 1.0 2.89 4.33 1632 1333 B 111 HIS H B 111 HIS HA 1.0 2.77 4.16 1633 1334 B 111 HIS H B 111 HIS HBx 1.0 2.86 4.29 1634 1335 B 111 HIS H B 112 GLY H 1.0 2.54 3.43 1635 1336 B 112 GLY H B 111 HIS HBy 1.0 2.82 4.24 1636 1337 B 112 GLY H B 111 HIS HA 1.0 2.71 4.07 1637 1338 B 111 HIS H B 112 GLY H 1.0 2.54 3.81 1638 1339 B 112 GLY H B 111 HIS HBx 1.0 2.96 4.43 1639 1340 B 114 ILE HG21 B 111 HIS HBx 1.0 1.80 5.00 1640 1341 B 114 ILE HG21 B 111 HIS HBy 1.0 1.80 5.00 1641 1342 B 112 GLY HAy B 112 GLY HAx 1.0 2.44 3.51 1642 1343 B 112 GLY HAy B 112 GLY HAx 1.0 2.44 3.67 1643 1344 B 112 GLY H B 112 GLY HAx 1.0 2.68 4.02 1644 1345 B 112 GLY H B 112 GLY HAy 1.0 2.51 3.76 1645 1346 B 113 PHE H B 112 GLY HAy 1.0 2.71 4.07 1646 1347 B 113 PHE H B 112 GLY HAx 1.0 2.99 4.48 1647 1348 B 107 ARG HBy B 113 PHE HA 1.0 2.97 4.46 1648 1349 B 107 ARG HA B 113 PHE HD% 1.0 3.15 4.72 1649 1350 B 107 ARG HA B 113 PHE HE% 1.0 3.48 5.22 1650 1351 B 113 PHE HD% B 108 GLN HA 1.0 2.90 4.35 1651 1352 B 108 GLN HA B 113 PHE HA 1.0 2.39 3.58 1652 1353 B 113 PHE H B 112 GLY H 1.0 2.89 4.85 1653 1354 B 113 PHE H B 112 GLY H 1.0 2.89 4.34 1654 1355 B 113 PHE HA B 113 PHE HBy 1.0 2.83 4.24 1655 1356 B 113 PHE HA B 113 PHE HBx 1.0 2.92 4.06 1656 1357 B 113 PHE HD% B 113 PHE HBy 1.0 3.33 5.00 1657 1358 B 113 PHE HA B 113 PHE HBx 1.0 2.92 4.38 1658 1359 B 113 PHE HE% B 113 PHE HA 1.0 3.39 5.09 1659 1360 B 113 PHE HE% B 113 PHE HBx 1.0 3.73 5.59 1660 1361 B 113 PHE HD% B 113 PHE HA 1.0 3.05 4.57 1661 1362 B 113 PHE HE% B 113 PHE HBy 1.0 3.95 5.93 1662 1363 B 113 PHE H B 113 PHE HBx 1.0 3.10 4.65 1663 1364 B 113 PHE HD% B 113 PHE H 1.0 3.64 5.00 1664 1365 B 113 PHE H B 113 PHE HBy 1.0 3.09 4.63 1665 1366 B 113 PHE H B 113 PHE HA 1.0 2.98 4.47 1666 1367 B 113 PHE H B 114 ILE H 1.0 3.25 4.87 1667 1368 B 114 ILE HD11 B 104 HIS HE1 1.0 2.89 4.33 1668 1369 B 104 HIS HBy B 114 ILE HD11 1.0 3.27 4.91 1669 1370 B 114 ILE HD11 B 106 GLU HBx 1.0 3.66 5.49 1670 1370 B 106 GLU HBy B 114 ILE HD11 1.0 3.66 5.49 1671 1371 B 107 ARG HDy B 114 ILE HD11 1.0 3.41 5.12 1672 1372 B 114 ILE HD11 B 107 ARG HGx 1.0 2.65 3.97 1673 1372 B 107 ARG HGy B 114 ILE HD11 1.0 2.65 3.97 1674 1373 B 107 ARG HDx B 114 ILE HB 1.0 2.43 3.64 1675 1374 B 107 ARG HDx B 114 ILE HD11 1.0 3.28 4.91 1676 1375 B 109 ASP H B 114 ILE H 1.0 3.37 5.00 1677 1376 B 109 ASP H B 114 ILE HG21 1.0 3.70 5.00 1678 1377 B 114 ILE HG21 B 111 HIS H 1.0 4.00 5.00 1679 1378 B 114 ILE HG21 B 112 GLY H 1.0 3.72 5.00 1680 1379 B 113 PHE HA B 114 ILE HD11 1.0 3.36 5.04 1681 1380 B 114 ILE HB B 114 ILE HA 1.0 3.30 4.94 1682 1381 B 114 ILE HD11 B 114 ILE HA 1.0 2.88 4.33 1683 1382 B 114 ILE HD11 B 114 ILE HA 1.0 2.88 4.32 1684 1383 B 114 ILE H B 114 ILE HG1y 1.0 3.32 4.98 1685 1384 B 114 ILE H B 114 ILE HG1x 1.0 2.97 4.46 1686 1385 B 114 ILE HG21 B 114 ILE H 1.0 3.12 4.68 1687 1386 B 114 ILE H B 114 ILE HB 1.0 3.08 4.63 1688 1387 B 104 HIS HE1 B 115 SER HA 1.0 2.81 4.21 1689 1388 B 115 SER HBy B 105 GLU HBx 1.0 2.51 3.77 1690 1388 B 105 GLU HBy B 115 SER HBy 1.0 2.51 3.77 1691 1389 B 115 SER HBx B 105 GLU HBx 1.0 2.59 3.88 1692 1389 B 105 GLU HBy B 115 SER HBx 1.0 2.59 3.88 1693 1390 B 106 GLU H B 115 SER HBx 1.0 2.94 4.41 1694 1391 B 106 GLU H B 115 SER HBy 1.0 3.12 4.68 1695 1392 B 115 SER HBx B 107 ARG H 1.0 2.54 3.81 1696 1393 B 114 ILE HD11 B 115 SER HA 1.0 3.43 4.89 1697 1394 B 114 ILE HD11 B 115 SER HA 1.0 3.43 5.14 1698 1395 B 115 SER HA B 115 SER HBy 1.0 2.32 3.80 1699 1396 B 115 SER HA B 115 SER HBy 1.0 2.32 3.49 1700 1397 B 115 SER HBx B 115 SER HBy 1.0 2.25 3.38 1701 1398 B 115 SER HBx B 115 SER HA 1.0 2.61 3.91 1702 1399 B 116 ARG H B 115 SER HBx 1.0 2.91 4.36 1703 1400 B 116 ARG H B 115 SER HBy 1.0 2.95 4.42 1704 1401 B 116 ARG H B 104 HIS H 1.0 3.11 4.68 1705 1402 B 116 ARG H B 104 HIS H 1.0 3.11 4.67 1706 1403 B 116 ARG H B 115 SER H 1.0 3.15 4.72 1707 1404 B 116 ARG HA B 116 ARG HDx 1.0 2.80 4.21 1708 1404 B 116 ARG HA B 116 ARG HDy 1.0 2.80 4.21 1709 1405 B 116 ARG H B 116 ARG HBx 1.0 3.13 4.69 1710 1405 B 116 ARG H B 116 ARG HBy 1.0 3.13 4.69 1711 1406 B 116 ARG H B 116 ARG HGx 1.0 3.23 4.84 1712 1406 B 116 ARG H B 116 ARG HGy 1.0 3.23 4.84 1713 1407 B 116 ARG HA B 117 GLU H 1.0 2.78 4.17 1714 1408 B 117 GLU HA B 103 LYS HGx 1.0 2.70 4.05 1715 1408 B 103 LYS HGy B 117 GLU HA 1.0 2.70 4.05 1716 1409 B 117 GLU HA B 103 LYS HDx 1.0 2.52 3.79 1717 1409 B 103 LYS HDy B 117 GLU HA 1.0 2.52 3.79 1718 1410 B 103 LYS HA B 117 GLU HA 1.0 2.72 4.06 1719 1411 B 103 LYS HA B 117 GLU HA 1.0 2.72 4.08 1720 1412 B 117 GLU H B 116 ARG HBx 1.0 2.85 4.28 1721 1412 B 116 ARG HBy B 117 GLU H 1.0 2.85 4.28 1722 1413 B 117 GLU H B 117 GLU HA 1.0 3.22 4.82 1723 1414 B 117 GLU H B 117 GLU HGx 1.0 3.08 4.62 1724 1414 B 117 GLU H B 117 GLU HGy 1.0 3.08 4.62 1725 1415 B 118 PHE H B 117 GLU HA 1.0 2.79 4.18 1726 1416 B 100 VAL HG21 B 118 PHE HBy 1.0 2.65 3.97 1727 1417 B 102 GLY H B 118 PHE HE% 1.0 3.42 5.00 1728 1418 B 118 PHE HD% B 103 LYS HA 1.0 3.42 5.12 1729 1419 B 103 LYS H B 118 PHE HE% 1.0 3.44 5.00 1730 1420 B 118 PHE HD% B 103 LYS H 1.0 3.43 5.00 1731 1421 B 118 PHE H B 117 GLU H 1.0 3.29 5.00 1732 1422 B 117 GLU H B 118 PHE HBy 1.0 3.42 5.00 1733 1423 B 118 PHE H B 117 GLU H 1.0 3.29 4.93 1734 1424 B 118 PHE HBy B 118 PHE HA 1.0 2.50 4.67 1735 1425 B 118 PHE HA B 118 PHE HZ 1.0 3.50 5.25 1736 1426 B 118 PHE HD% B 118 PHE HA 1.0 3.12 4.68 1737 1427 B 118 PHE HBy B 118 PHE HA 1.0 2.50 3.75 1738 1428 B 118 PHE HA B 118 PHE HBx 1.0 2.37 3.55 1739 1429 B 118 PHE H B 118 PHE HA 1.0 3.43 5.00 1740 1430 B 118 PHE H B 118 PHE HBy 1.0 3.52 5.00 1741 1431 B 118 PHE HD% B 118 PHE H 1.0 3.50 5.00 1742 1432 B 118 PHE HBy B 119 HIS H 1.0 2.96 4.44 1743 1433 B 118 PHE HA B 119 HIS H 1.0 2.88 4.32 1744 1434 B 101 HIS HBy B 119 HIS HA 1.0 3.02 4.53 1745 1435 B 101 HIS HA B 119 HIS HBx 1.0 2.60 3.90 1746 1436 B 101 HIS HA B 119 HIS HA 1.0 2.51 3.76 1747 1437 B 101 HIS HBx B 119 HIS HA 1.0 3.21 4.82 1748 1438 B 101 HIS HD2 B 119 HIS HA 1.0 2.71 4.06 1749 1439 B 119 HIS HA B 119 HIS HBy 1.0 2.71 4.06 1750 1440 B 119 HIS HD2 B 119 HIS HA 1.0 2.99 4.48 1751 1441 B 119 HIS HD2 B 119 HIS HBx 1.0 3.14 4.71 1752 1442 B 119 HIS HA B 119 HIS HBx 1.0 2.65 3.87 1753 1443 B 119 HIS HA B 119 HIS HBx 1.0 2.65 3.98 1754 1444 B 119 HIS H B 119 HIS HBx 1.0 2.92 4.38 1755 1445 B 119 HIS H B 119 HIS HA 1.0 3.29 4.94 1756 1446 B 120 ARG H B 119 HIS H 1.0 3.45 5.00 1757 1447 B 100 VAL H B 120 ARG H 1.0 3.26 4.89 1758 1448 B 120 ARG H B 121 LYS H 1.0 3.40 5.00 1759 1449 B 121 LYS HA B 97 VAL HG11 1.0 2.99 4.49 1760 1449 B 97 VAL HG21 B 121 LYS HA 1.0 2.99 4.49 1761 1450 B 99 GLU HA B 121 LYS HA 1.0 2.70 4.04 1762 1451 B 121 LYS HA B 120 ARG HBx 1.0 2.65 3.98 1763 1451 B 121 LYS HA B 120 ARG HBy 1.0 2.65 3.98 1764 1452 B 121 LYS HA B 121 LYS HGx 1.0 2.76 4.13 1765 1452 B 121 LYS HGy B 121 LYS HA 1.0 2.76 4.13 1766 1453 B 122 TYR H B 121 LYS HA 1.0 2.74 4.11 1767 1454 B 122 TYR H B 121 LYS HGx 1.0 3.17 4.75 1768 1454 B 122 TYR H B 121 LYS HGy 1.0 3.17 4.75 1769 1455 B 98 ILE HD11 B 122 TYR HBx 1.0 3.00 4.51 1770 1455 B 98 ILE HD11 B 122 TYR HBy 1.0 3.00 4.51 1771 1456 B 122 TYR HE% B 98 ILE HG21 1.0 3.69 5.53 1772 1457 B 98 ILE H B 122 TYR HA 1.0 2.53 3.79 1773 1458 B 122 TYR HA B 122 TYR HBx 1.0 2.55 4.39 1774 1458 B 122 TYR HBy B 122 TYR HA 1.0 2.55 4.39 1775 1459 B 122 TYR HD% B 122 TYR HA 1.0 2.79 4.18 1776 1460 B 122 TYR HA B 122 TYR HBx 1.0 2.55 3.83 1777 1460 B 122 TYR HBy B 122 TYR HA 1.0 2.55 3.83 1778 1461 B 122 TYR HE% B 122 TYR HBx 1.0 3.54 5.31 1779 1461 B 122 TYR HE% B 122 TYR HBy 1.0 3.54 5.31 1780 1462 B 122 TYR HD% B 122 TYR H 1.0 3.65 5.00 1781 1463 B 122 TYR H B 122 TYR HA 1.0 3.00 4.50 1782 1464 B 122 TYR H B 122 TYR HBx 1.0 3.22 4.94 1783 1464 B 122 TYR H B 122 TYR HBy 1.0 3.22 4.94 1784 1465 B 122 TYR H B 122 TYR HBx 1.0 3.22 4.83 1785 1465 B 122 TYR H B 122 TYR HBy 1.0 3.22 4.83 1786 1466 B 122 TYR HA B 123 ARG HBy 1.0 3.02 4.53 1787 1467 B 122 TYR HA B 123 ARG HBx 1.0 3.12 4.68 1788 1468 B 122 TYR H B 123 ARG H 1.0 3.31 4.96 1789 1469 B 122 TYR HA B 123 ARG H 1.0 2.19 3.28 1790 1470 B 124 ILE HD11 B 122 TYR HA 1.0 3.86 5.78 1791 1471 B 123 ARG HBy B 97 VAL HG11 1.0 3.39 5.09 1792 1471 B 97 VAL HG21 B 123 ARG HBy 1.0 3.39 5.09 1793 1472 B 98 ILE H B 123 ARG HDx 1.0 3.15 4.72 1794 1472 B 123 ARG HDy B 98 ILE H 1.0 3.15 4.72 1795 1473 B 123 ARG HBy B 123 ARG HDx 1.0 2.42 3.62 1796 1473 B 123 ARG HDy B 123 ARG HBy 1.0 2.42 3.62 1797 1474 B 123 ARG HBx B 123 ARG HDx 1.0 2.44 3.66 1798 1474 B 123 ARG HDy B 123 ARG HBx 1.0 2.44 3.66 1799 1475 B 123 ARG HA B 123 ARG HDx 1.0 2.29 4.00 1800 1475 B 123 ARG HA B 123 ARG HDy 1.0 2.29 4.00 1801 1476 B 123 ARG HA B 123 ARG HDx 1.0 2.29 3.44 1802 1476 B 123 ARG HA B 123 ARG HDy 1.0 2.29 3.44 1803 1477 B 123 ARG HA B 123 ARG H 1.0 2.48 3.72 1804 1478 B 124 ILE H B 123 ARG HDx 1.0 3.25 4.87 1805 1478 B 124 ILE H B 123 ARG HDy 1.0 3.25 4.87 1806 1479 B 124 ILE H B 123 ARG HBx 1.0 2.91 4.37 1807 1480 B 94 LEU H B 124 ILE HD11 1.0 3.39 5.00 1808 1481 B 96 ASP H B 124 ILE HD11 1.0 3.35 5.00 1809 1482 B 97 VAL HA B 124 ILE HB 1.0 2.70 4.05 1810 1483 B 97 VAL H B 124 ILE HD11 1.0 3.00 4.50 1811 1484 B 124 ILE HD11 B 98 ILE H 1.0 3.44 5.00 1812 1485 B 122 TYR HD% B 124 ILE HG21 1.0 3.71 5.56 1813 1486 B 122 TYR HD% B 124 ILE HA 1.0 3.34 5.01 1814 1487 B 123 ARG HA B 124 ILE HD11 1.0 2.93 5.06 1815 1488 B 123 ARG HA B 124 ILE HD11 1.0 2.93 4.39 1816 1489 B 124 ILE H B 123 ARG H 1.0 3.39 5.00 1817 1490 B 124 ILE HB B 124 ILE HA 1.0 2.68 3.80 1818 1491 B 124 ILE HD11 B 124 ILE HB 1.0 3.02 4.54 1819 1492 B 124 ILE HD11 B 124 ILE HG21 1.0 2.84 4.26 1820 1493 B 124 ILE HB B 124 ILE HA 1.0 2.68 4.03 1821 1494 B 124 ILE HD11 B 124 ILE HG1x 1.0 2.64 3.96 1822 1494 B 124 ILE HG1y B 124 ILE HD11 1.0 2.64 3.96 1823 1495 B 124 ILE HD11 B 124 ILE HA 1.0 2.84 5.25 1824 1496 B 124 ILE HG21 B 124 ILE HG1x 1.0 2.67 4.01 1825 1496 B 124 ILE HG1y B 124 ILE HG21 1.0 2.67 4.01 1826 1497 B 124 ILE HD11 B 124 ILE HA 1.0 2.84 4.26 1827 1498 B 124 ILE HG21 B 124 ILE HA 1.0 3.07 5.27 1828 1499 B 124 ILE HG21 B 124 ILE HA 1.0 3.07 4.61 1829 1500 B 124 ILE H B 124 ILE HA 1.0 3.37 5.00 1830 1501 B 124 ILE H B 124 ILE HD11 1.0 3.97 4.88 1831 1502 B 124 ILE H B 124 ILE HD11 1.0 3.97 5.00 1832 1503 B 124 ILE HA B 125 PRO HA 1.0 3.22 4.83 1833 1504 B 124 ILE HG21 B 126 ALA HA 1.0 3.31 4.96 1834 1505 B 124 ILE HG21 B 127 ASP H 1.0 3.73 5.00 1835 1506 B 124 ILE HD11 B 128 VAL H 1.0 2.64 3.96 1836 1507 B 124 ILE HG21 B 128 VAL H 1.0 2.59 3.89 1837 1508 B 148 PRO HA B 124 ILE HG21 1.0 3.64 5.46 1838 1509 B 122 TYR HD% B 125 PRO HDx 1.0 3.70 5.55 1839 1510 B 122 TYR HD% B 125 PRO HDy 1.0 4.05 6.08 1840 1511 B 124 ILE HB B 125 PRO HDy 1.0 3.07 4.61 1841 1512 B 125 PRO HDx B 124 ILE HG1x 1.0 3.09 4.63 1842 1512 B 124 ILE HG1y B 125 PRO HDx 1.0 3.09 4.63 1843 1513 B 124 ILE HG21 B 125 PRO HDx 1.0 3.14 4.71 1844 1514 B 124 ILE HD11 B 125 PRO HDx 1.0 3.42 5.13 1845 1515 B 124 ILE HD11 B 125 PRO HDy 1.0 3.55 5.33 1846 1516 B 124 ILE HG21 B 125 PRO HDy 1.0 3.35 5.03 1847 1517 B 124 ILE HB B 125 PRO HDx 1.0 3.02 4.53 1848 1518 B 124 ILE HA B 125 PRO HDy 1.0 3.27 4.90 1849 1519 B 124 ILE HA B 125 PRO HDx 1.0 3.19 4.79 1850 1520 B 125 PRO HA B 125 PRO HDy 1.0 2.96 4.44 1851 1521 B 126 ALA H B 125 PRO HBx 1.0 2.46 3.69 1852 1521 B 125 PRO HBy B 126 ALA H 1.0 2.46 3.69 1853 1522 B 125 PRO HA B 126 ALA H 1.0 2.15 3.23 1854 1523 B 125 PRO HA B 127 ASP H 1.0 2.50 3.75 1855 1524 B 126 ALA HA B 126 ALA H 1.0 2.31 3.47 1856 1525 B 126 ALA H B 126 ALA HB1 1.0 2.31 3.47 1857 1526 B 127 ASP H B 126 ALA HB1 1.0 2.51 3.76 1858 1527 B 126 ALA HA B 128 VAL H 1.0 2.32 3.47 1859 1528 B 128 VAL H B 126 ALA HB1 1.0 2.85 4.27 1860 1529 B 127 ASP H B 125 PRO HBx 1.0 2.45 3.67 1861 1529 B 127 ASP H B 125 PRO HBy 1.0 2.45 3.67 1862 1530 B 126 ALA HB1 B 127 ASP HA 1.0 3.06 4.59 1863 1531 B 127 ASP H B 126 ALA H 1.0 2.40 3.66 1864 1532 B 127 ASP H B 126 ALA H 1.0 2.40 3.60 1865 1533 B 127 ASP HA B 127 ASP HBy 1.0 2.12 3.18 1866 1534 B 127 ASP HA B 127 ASP HBx 1.0 2.10 3.15 1867 1535 B 127 ASP H B 127 ASP HA 1.0 2.19 3.28 1868 1536 B 127 ASP H B 127 ASP HBy 1.0 2.40 3.60 1869 1537 B 127 ASP H B 127 ASP HBx 1.0 2.32 3.48 1870 1538 B 128 VAL H B 127 ASP HBy 1.0 2.79 4.18 1871 1539 B 128 VAL H B 127 ASP HA 1.0 2.34 3.51 1872 1540 B 128 VAL H B 127 ASP HBx 1.0 2.66 3.99 1873 1541 B 127 ASP H B 128 VAL HG11 1.0 3.93 5.00 1874 1541 B 127 ASP H B 128 VAL HG21 1.0 3.93 5.00 1875 1542 B 128 VAL H B 126 ALA H 1.0 3.15 4.40 1876 1543 B 128 VAL H B 126 ALA H 1.0 3.15 4.73 1877 1544 B 127 ASP H B 128 VAL H 1.0 2.20 3.25 1878 1545 B 127 ASP H B 128 VAL H 1.0 2.20 3.30 1879 1546 B 128 VAL H B 129 ASP H 1.0 2.84 4.90 1880 1547 B 128 VAL H B 129 ASP H 1.0 2.84 4.27 1881 1548 B 128 VAL H B 150 LYS HDx 1.0 2.20 3.30 1882 1548 B 128 VAL H B 150 LYS HDy 1.0 2.20 3.30 1883 1549 B 129 ASP H B 128 VAL HA 1.0 2.45 3.67 1884 1550 B 129 ASP H B 129 ASP HBy 1.0 2.44 3.67 1885 1551 B 129 ASP H B 129 ASP HBx 1.0 2.51 3.76 1886 1552 B 129 ASP H B 129 ASP HA 1.0 2.54 3.80 1887 1553 B 129 ASP H B 132 THR HG1 1.0 3.07 4.60 1888 1554 B 131 LEU H B 130 PRO HGx 1.0 2.94 4.41 1889 1554 B 130 PRO HGy B 131 LEU H 1.0 2.94 4.41 1890 1555 B 129 ASP HA B 131 LEU H 1.0 2.89 4.34 1891 1556 B 131 LEU H B 131 LEU HBx 1.0 2.35 3.52 1892 1556 B 131 LEU H B 131 LEU HBy 1.0 2.35 3.52 1893 1557 B 131 LEU H B 131 LEU HD21 1.0 2.84 4.26 1894 1558 B 131 LEU H B 131 LEU HA 1.0 2.34 3.51 1895 1559 B 131 LEU H B 131 LEU HD11 1.0 2.83 4.24 1896 1560 B 131 LEU H B 132 THR HG21 1.0 3.25 4.87 1897 1561 B 131 LEU H B 132 THR H 1.0 2.50 3.99 1898 1562 B 131 LEU H B 132 THR H 1.0 2.50 3.75 1899 1563 B 131 LEU H B 133 ILE H 1.0 2.97 4.46 1900 1564 B 129 ASP H B 132 THR HG21 1.0 3.36 5.00 1901 1565 B 131 LEU HA B 132 THR H 1.0 3.00 4.50 1902 1566 B 132 THR HG1 B 132 THR H 1.0 2.74 4.12 1903 1567 B 132 THR HG21 B 132 THR H 1.0 2.83 4.24 1904 1568 B 132 THR H B 132 THR HA 1.0 2.58 3.87 1905 1569 B 132 THR HB B 133 ILE HG1x 1.0 2.05 3.07 1906 1569 B 132 THR HB B 133 ILE HG1y 1.0 2.05 3.07 1907 1570 B 132 THR HA B 133 ILE HA 1.0 2.59 3.89 1908 1571 B 133 ILE H B 132 THR HA 1.0 2.61 3.92 1909 1572 B 132 THR HG1 B 133 ILE H 1.0 2.98 4.47 1910 1573 B 132 THR H B 133 ILE H 1.0 2.46 3.77 1911 1574 B 132 THR HG21 B 133 ILE H 1.0 2.83 4.25 1912 1575 B 132 THR H B 133 ILE H 1.0 2.46 3.68 1913 1576 B 132 THR HB B 147 GLY HAx 1.0 2.67 4.00 1914 1577 B 132 THR HB B 148 PRO HDx 1.0 2.84 4.27 1915 1577 B 132 THR HB B 148 PRO HDy 1.0 2.84 4.27 1916 1578 B 75 PHE HE% B 133 ILE HG21 1.0 3.86 5.79 1917 1579 B 133 ILE HD11 B 130 PRO HDx 1.0 3.46 5.18 1918 1579 B 133 ILE HD11 B 130 PRO HDy 1.0 3.46 5.18 1919 1580 B 133 ILE HD11 B 130 PRO HBx 1.0 3.33 5.00 1920 1580 B 133 ILE HD11 B 130 PRO HBy 1.0 3.33 5.00 1921 1581 B 133 ILE HD11 B 130 PRO HA 1.0 2.91 4.37 1922 1582 B 133 ILE HD11 B 130 PRO HGx 1.0 2.93 4.39 1923 1582 B 133 ILE HD11 B 130 PRO HGy 1.0 2.93 4.39 1924 1583 B 131 LEU HA B 133 ILE H 1.0 3.03 4.54 1925 1584 B 132 THR H B 133 ILE HG21 1.0 3.45 5.00 1926 1585 B 133 ILE HD11 B 133 ILE HA 1.0 2.93 4.39 1927 1586 B 133 ILE HA B 133 ILE HG21 1.0 2.68 4.02 1928 1587 B 133 ILE HG21 B 133 ILE HG1x 1.0 2.93 4.40 1929 1587 B 133 ILE HG1y B 133 ILE HG21 1.0 2.93 4.40 1930 1588 B 133 ILE HD11 B 133 ILE H 1.0 2.66 4.00 1931 1589 B 133 ILE H B 133 ILE HA 1.0 2.61 3.91 1932 1590 B 133 ILE H B 133 ILE HG21 1.0 3.23 4.85 1933 1591 B 133 ILE HD11 B 134 THR H 1.0 2.71 4.06 1934 1592 B 133 ILE H B 134 THR H 1.0 3.05 4.53 1935 1593 B 133 ILE H B 134 THR H 1.0 3.05 4.58 1936 1594 B 133 ILE HG21 B 145 VAL HB 1.0 3.00 4.50 1937 1595 B 147 GLY HAy B 133 ILE HG1x 1.0 3.11 4.67 1938 1595 B 133 ILE HG1y B 147 GLY HAy 1.0 3.11 4.67 1939 1596 B 134 THR H B 134 THR HG21 1.0 2.91 4.36 1940 1597 B 134 THR H B 134 THR HA 1.0 2.25 3.38 1941 1598 B 134 THR HG21 B 135 SER H 1.0 2.62 3.93 1942 1599 B 134 THR H B 135 SER H 1.0 3.11 4.62 1943 1600 B 134 THR H B 135 SER H 1.0 3.11 4.66 1944 1601 B 135 SER H B 134 THR HB 1.0 2.21 3.31 1945 1602 B 135 SER HA B 135 SER HBy 1.0 2.24 3.36 1946 1603 B 135 SER H B 135 SER HA 1.0 2.70 4.05 1947 1604 B 135 SER HA B 136 SER H 1.0 2.28 3.42 1948 1605 B 145 VAL HG21 B 135 SER HA 1.0 3.20 4.80 1949 1606 B 135 SER HBx B 145 VAL HA 1.0 2.52 3.78 1950 1607 B 135 SER HA B 145 VAL HA 1.0 2.28 3.63 1951 1608 B 145 VAL HG11 B 135 SER HA 1.0 2.66 4.65 1952 1609 B 135 SER HA B 145 VAL HA 1.0 2.28 3.42 1953 1610 B 145 VAL HG11 B 135 SER HA 1.0 2.66 3.99 1954 1611 B 135 SER HBx B 146 ASP H 1.0 2.89 4.34 1955 1612 B 135 SER H B 136 SER H 1.0 2.97 4.38 1956 1613 B 135 SER H B 136 SER H 1.0 2.97 4.45 1957 1614 B 136 SER H B 136 SER HA 1.0 2.59 3.88 1958 1615 B 136 SER H B 136 SER HBx 1.0 2.21 3.31 1959 1615 B 136 SER H B 136 SER HBy 1.0 2.21 3.31 1960 1616 B 136 SER HA B 137 LEU H 1.0 2.39 3.59 1961 1617 B 136 SER H B 143 LEU HD11 1.0 2.76 4.13 1962 1617 B 136 SER H B 143 LEU HD21 1.0 2.76 4.13 1963 1618 B 136 SER H B 143 LEU HG 1.0 3.24 4.86 1964 1619 B 137 LEU H B 137 LEU HBx 1.0 2.75 4.13 1965 1619 B 137 LEU H B 137 LEU HBy 1.0 2.75 4.13 1966 1620 B 137 LEU H B 137 LEU HG 1.0 3.10 4.64 1967 1621 B 137 LEU H B 137 LEU HD11 1.0 3.27 4.90 1968 1621 B 137 LEU H B 137 LEU HD21 1.0 3.27 4.90 1969 1622 B 137 LEU H B 138 SER H 1.0 2.92 4.37 1970 1623 B 138 SER HA B 138 SER HBx 1.0 1.93 2.89 1971 1623 B 138 SER HA B 138 SER HBy 1.0 1.93 2.89 1972 1624 B 138 SER H B 141 GLY H 1.0 3.06 4.54 1973 1625 B 138 SER HA B 141 GLY H 1.0 2.54 3.81 1974 1626 B 138 SER H B 141 GLY H 1.0 3.06 4.59 1975 1627 B 138 SER H B 142 VAL H 1.0 2.64 3.92 1976 1628 B 138 SER H B 142 VAL HB 1.0 2.80 4.20 1977 1629 B 142 VAL H B 138 SER HBx 1.0 2.67 4.01 1978 1629 B 138 SER HBy B 142 VAL H 1.0 2.67 4.01 1979 1630 B 138 SER H B 142 VAL H 1.0 2.64 3.96 1980 1631 B 140 ASP H B 139 SER HBx 1.0 2.73 4.09 1981 1631 B 139 SER HBy B 140 ASP H 1.0 2.73 4.09 1982 1632 B 140 ASP H B 140 ASP HA 1.0 2.30 3.46 1983 1633 B 140 ASP H B 140 ASP HBx 1.0 2.36 3.54 1984 1633 B 140 ASP H B 140 ASP HBy 1.0 2.36 3.54 1985 1634 B 141 GLY H B 140 ASP HBx 1.0 2.63 3.94 1986 1634 B 141 GLY H B 140 ASP HBy 1.0 2.63 3.94 1987 1635 B 141 GLY H B 140 ASP H 1.0 2.59 3.77 1988 1636 B 141 GLY H B 140 ASP HA 1.0 2.57 3.85 1989 1637 B 141 GLY H B 140 ASP H 1.0 2.59 3.89 1990 1638 B 141 GLY HAy B 141 GLY H 1.0 2.62 3.94 1991 1639 B 141 GLY H B 141 GLY HAx 1.0 2.24 3.35 1992 1640 B 140 ASP H B 142 VAL HG11 1.0 3.68 5.00 1993 1640 B 140 ASP H B 142 VAL HG21 1.0 3.68 5.00 1994 1641 B 142 VAL H B 140 ASP HBx 1.0 3.03 4.54 1995 1641 B 142 VAL H B 140 ASP HBy 1.0 3.03 4.54 1996 1642 B 142 VAL H B 140 ASP H 1.0 3.06 4.59 1997 1643 B 141 GLY H B 142 VAL HG11 1.0 2.92 4.38 1998 1643 B 141 GLY H B 142 VAL HG21 1.0 2.92 4.38 1999 1644 B 141 GLY H B 142 VAL H 1.0 2.28 3.42 2000 1645 B 141 GLY H B 142 VAL H 1.0 2.28 3.43 2001 1646 B 142 VAL HA B 142 VAL HG11 1.0 2.42 3.62 2002 1646 B 142 VAL HG21 B 142 VAL HA 1.0 2.42 3.62 2003 1647 B 142 VAL H B 142 VAL HB 1.0 2.33 3.50 2004 1648 B 142 VAL H B 142 VAL HA 1.0 2.74 4.11 2005 1649 B 142 VAL H B 142 VAL HG11 1.0 2.67 3.69 2006 1649 B 142 VAL H B 142 VAL HG21 1.0 2.67 3.69 2007 1650 B 142 VAL H B 142 VAL HG11 1.0 2.67 4.00 2008 1650 B 142 VAL H B 142 VAL HG21 1.0 2.67 4.00 2009 1651 B 142 VAL H B 143 LEU H 1.0 2.86 4.29 2010 1652 B 143 LEU H B 142 VAL HG11 1.0 3.02 4.52 2011 1652 B 142 VAL HG21 B 143 LEU H 1.0 3.02 4.52 2012 1653 B 142 VAL HB B 143 LEU H 1.0 3.10 4.65 2013 1654 B 79 LEU H B 143 LEU H 1.0 3.39 5.00 2014 1655 B 143 LEU HA B 136 SER H 1.0 3.12 4.68 2015 1656 B 143 LEU HG B 143 LEU H 1.0 3.11 4.66 2016 1657 B 143 LEU H B 143 LEU HD11 1.0 3.04 4.56 2017 1657 B 143 LEU HD21 B 143 LEU H 1.0 3.04 4.56 2018 1658 B 143 LEU HA B 144 THR H 1.0 2.56 3.84 2019 1659 B 76 SER HA B 144 THR HG21 1.0 3.51 5.27 2020 1660 B 77 VAL H B 144 THR HA 1.0 2.97 4.45 2021 1661 B 144 THR HG21 B 78 ASN HA 1.0 3.31 4.96 2022 1662 B 79 LEU HG B 144 THR HA 1.0 3.56 5.34 2023 1663 B 144 THR HA B 79 LEU HD11 1.0 3.52 5.28 2024 1663 B 79 LEU HD21 B 144 THR HA 1.0 3.52 5.28 2025 1664 B 143 LEU HG B 144 THR H 1.0 2.76 4.15 2026 1665 B 144 THR H B 143 LEU HD11 1.0 2.83 4.25 2027 1665 B 143 LEU HD21 B 144 THR H 1.0 2.83 4.25 2028 1666 B 144 THR HG21 B 144 THR HA 1.0 2.86 4.30 2029 1667 B 144 THR HA B 144 THR HB 1.0 2.64 3.96 2030 1668 B 144 THR HG21 B 144 THR H 1.0 3.26 4.90 2031 1669 B 144 THR H B 144 THR HB 1.0 2.66 3.99 2032 1670 B 145 VAL H B 144 THR H 1.0 2.79 4.18 2033 1671 B 145 VAL H B 144 THR HA 1.0 2.48 3.71 2034 1672 B 144 THR HG21 B 145 VAL H 1.0 2.91 4.37 2035 1673 B 145 VAL H B 144 THR H 1.0 2.79 4.45 2036 1674 B 145 VAL H B 144 THR HB 1.0 3.15 4.72 2037 1675 B 145 VAL H B 144 THR H 1.0 2.79 4.18 2038 1676 B 146 ASP HBx B 144 THR HG21 1.0 2.86 4.29 2039 1677 B 146 ASP HBy B 144 THR HG21 1.0 2.88 4.32 2040 1678 B 77 VAL HB B 145 VAL HB 1.0 2.80 4.21 2041 1679 B 145 VAL HB B 135 SER HA 1.0 3.14 4.71 2042 1680 B 135 SER H B 145 VAL HA 1.0 2.10 3.15 2043 1681 B 145 VAL HG11 B 135 SER H 1.0 3.21 4.82 2044 1682 B 145 VAL HG21 B 136 SER H 1.0 3.32 4.98 2045 1683 B 145 VAL H B 145 VAL HA 1.0 3.20 4.80 2046 1684 B 145 VAL H B 145 VAL HB 1.0 2.84 4.25 2047 1685 B 145 VAL HG11 B 145 VAL H 1.0 3.12 4.68 2048 1686 B 145 VAL HG21 B 145 VAL H 1.0 3.17 4.75 2049 1687 B 146 ASP HBy B 145 VAL HG11 1.0 3.76 5.64 2050 1688 B 145 VAL HG11 B 146 ASP H 1.0 2.56 3.85 2051 1689 B 145 VAL HA B 146 ASP H 1.0 2.31 3.47 2052 1690 B 145 VAL HG21 B 146 ASP H 1.0 3.06 4.59 2053 1691 B 146 ASP HBy B 76 SER HA 1.0 2.64 3.76 2054 1692 B 146 ASP HBy B 76 SER HA 1.0 2.64 3.96 2055 1693 B 146 ASP HBx B 76 SER HA 1.0 2.51 3.88 2056 1694 B 146 ASP HBx B 76 SER HA 1.0 2.51 3.77 2057 1695 B 134 THR H B 146 ASP H 1.0 2.86 4.02 2058 1696 B 134 THR H B 146 ASP H 1.0 2.86 4.28 2059 1697 B 146 ASP HBx B 145 VAL HA 1.0 3.23 4.84 2060 1698 B 146 ASP HBy B 145 VAL HA 1.0 3.27 4.91 2061 1699 B 146 ASP HBy B 146 ASP HA 1.0 2.60 3.61 2062 1700 B 146 ASP HBx B 146 ASP HA 1.0 2.62 3.65 2063 1701 B 146 ASP HBx B 146 ASP HA 1.0 2.62 3.93 2064 1702 B 146 ASP HBy B 146 ASP HA 1.0 2.60 3.91 2065 1703 B 146 ASP HA B 146 ASP H 1.0 2.86 4.29 2066 1704 B 146 ASP HBy B 146 ASP H 1.0 2.74 4.11 2067 1705 B 146 ASP HBx B 146 ASP H 1.0 2.73 4.09 2068 1706 B 146 ASP HBy B 147 GLY H 1.0 2.96 4.43 2069 1707 B 146 ASP HA B 147 GLY H 1.0 2.73 4.09 2070 1708 B 132 THR HA B 147 GLY HAy 1.0 2.88 4.32 2071 1709 B 147 GLY HAx B 133 ILE HB 1.0 3.09 4.85 2072 1710 B 147 GLY HAy B 133 ILE HB 1.0 2.96 4.43 2073 1711 B 147 GLY HAx B 133 ILE HB 1.0 3.09 4.64 2074 1712 B 133 ILE HD11 B 147 GLY HAy 1.0 3.75 5.62 2075 1713 B 147 GLY HAx B 147 GLY HAy 1.0 2.61 3.92 2076 1714 B 147 GLY HAy B 147 GLY H 1.0 3.09 4.63 2077 1715 B 147 GLY HAx B 147 GLY H 1.0 3.18 4.77 2078 1716 B 147 GLY HAy B 148 PRO HDx 1.0 3.02 4.53 2079 1716 B 148 PRO HDy B 147 GLY HAy 1.0 3.02 4.53 2080 1717 B 149 ARG H B 147 GLY HAy 1.0 2.58 3.87 2081 1718 B 148 PRO HA B 148 PRO HDx 1.0 3.19 4.78 2082 1718 B 148 PRO HA B 148 PRO HDy 1.0 3.19 4.78 2083 1719 B 148 PRO HA B 148 PRO HBx 1.0 2.18 3.27 2084 1719 B 148 PRO HA B 148 PRO HBy 1.0 2.18 3.27 2085 1720 B 148 PRO HA B 148 PRO HGx 1.0 2.24 3.36 2086 1720 B 148 PRO HA B 148 PRO HGy 1.0 2.24 3.36 2087 1721 B 149 ARG H B 148 PRO HBx 1.0 3.21 4.81 2088 1721 B 149 ARG H B 148 PRO HBy 1.0 3.21 4.81 2089 1722 B 149 ARG H B 149 ARG HBx 1.0 2.95 4.43 2090 1722 B 149 ARG H B 149 ARG HBy 1.0 2.95 4.43 2091 1723 B 149 ARG H B 150 LYS H 1.0 3.00 4.51 2092 1724 B 150 LYS H B 150 LYS HDx 1.0 2.21 3.32 2093 1724 B 150 LYS HDy B 150 LYS H 1.0 2.21 3.32 2094 1725 B 150 LYS H B 150 LYS HA 1.0 2.42 3.62 2095 1726 B 150 LYS H B 150 LYS HGx 1.0 2.11 3.16 2096 1726 B 150 LYS H B 150 LYS HGy 1.0 2.11 3.16 2097 1727 B 150 LYS H B 151 GLN H 1.0 2.42 4.29 2098 1728 B 150 LYS HA B 151 GLN H 1.0 1.80 2.55 2099 1729 B 151 GLN H B 150 LYS HGx 1.0 2.28 3.42 2100 1729 B 150 LYS HGy B 151 GLN H 1.0 2.28 3.42 2101 1730 B 150 LYS H B 151 GLN H 1.0 2.42 3.63 2102 1731 B 151 GLN H B 151 GLN HBx 1.0 1.93 2.90 2103 1731 B 151 GLN H B 151 GLN HBy 1.0 1.93 2.90 2104 1732 B 151 GLN H B 151 GLN HGx 1.0 2.09 3.14 2105 1732 B 151 GLN H B 151 GLN HGy 1.0 2.09 3.14 2106 1733 B 151 GLN H B 152 VAL H 1.0 2.53 3.79 2107 1734 B 152 VAL H B 152 VAL HG11 1.0 2.09 3.14 2108 1734 B 152 VAL H B 152 VAL HG21 1.0 2.09 3.14 2109 1735 A 111 HIS HBx B 122 TYR HD% 1.0 1.80 5.36 2110 1736 A 111 HIS HBx B 122 TYR HE% 1.0 1.80 4.83 2111 1737 A 111 HIS HBy B 122 TYR HE% 1.0 1.80 5.00 2112 1738 A 111 HIS HA B 122 TYR HD% 1.0 1.80 4.09 2113 1739 A 111 HIS HA B 122 TYR HE% 1.0 1.80 4.74 2114 1740 A 113 PHE HD% B 121 LYS H 1.0 1.80 4.37 2115 1741 A 114 ILE HA B 116 ARG HA 1.0 1.80 4.05 2116 1742 A 114 ILE HG2% B 118 PHE HE% 1.0 1.80 5.00 2117 1743 A 114 ILE HG2% B 119 HIS H 1.0 1.80 4.38 2118 1744 A 114 ILE HA B 120 ARG HBx 1.0 1.80 3.98 2119 1744 A 114 ILE HA B 120 ARG HBy 1.0 1.80 3.98 2120 1745 B 121 LYS H A 114 ILE H 1.0 1.80 3.62 2121 1746 A 114 ILE HD1% B 122 TYR HD% 1.0 1.80 4.79 2122 1747 A 115 SER HBy B 119 HIS HBy 1.0 1.80 4.13 2123 1747 A 115 SER HBy B 119 HIS HBx 1.0 1.80 4.13 2124 1748 A 115 SER HBx B 119 HIS HBy 1.0 1.80 4.25 2125 1748 A 115 SER HBx B 119 HIS HBx 1.0 1.80 4.25 2126 1749 A 115 SER HBy B 119 HIS HE1 1.0 1.80 4.50 2127 1750 A 115 SER HBx B 119 HIS HE1 1.0 1.80 4.78 2128 1751 A 118 PHE HD% B 114 ILE HG21 1.0 1.80 4.62 2129 1752 A 118 PHE HA B 116 ARG HA 1.0 1.80 3.79 2130 1753 A 118 PHE HA B 116 ARG HA 1.0 1.80 3.61 2131 1754 A 118 PHE HZ B 116 ARG HA 1.0 1.80 4.46 2132 1755 A 118 PHE HD% B 116 ARG HA 1.0 1.80 4.73 2133 1756 A 118 PHE HA B 117 GLU H 1.0 1.80 3.83 2134 1757 A 119 HIS H B 114 ILE HG1x 1.0 1.80 3.87 2135 1757 A 119 HIS H B 114 ILE HG1y 1.0 1.80 3.87 2136 1758 A 119 HIS H B 115 SER H 1.0 1.80 3.81 2137 1759 A 119 HIS H B 115 SER H 1.0 1.80 3.88 2138 1760 B 111 HIS H A 120 ARG HB2 1.0 1.80 3.92 2139 1760 A 120 ARG HB3 B 111 HIS H 1.0 1.80 3.92 2140 1761 B 111 HIS H A 120 ARG HB2 1.0 1.80 3.29 2141 1761 A 120 ARG HB3 B 111 HIS H 1.0 1.80 3.29 2142 1762 B 111 HIS H A 122 TYR HBy 1.0 1.80 5.00 2143 1762 A 122 TYR HBx B 111 HIS H 1.0 1.80 5.00 2144 1763 A 122 TYR HA B 112 GLY HAx 1.0 1.80 3.75 2145 1764 A 122 TYR HA B 112 GLY HAy 1.0 1.80 3.91 2146 1765 A 122 TYR HA B 112 GLY HAx 1.0 1.80 4.30 2147 1766 A 122 TYR HA B 112 GLY HAy 1.0 1.80 4.18 2148 1767 B 112 GLY HAx A 122 TYR HBy 1.0 1.80 2.95 2149 1767 A 122 TYR HBx B 112 GLY HAx 1.0 1.80 2.95 2150 1768 A 122 TYR HA B 112 GLY H 1.0 1.80 3.95 2151 1769 A 122 TYR HD% B 121 LYS H 1.0 1.80 5.00 2152 1770 B 113 PHE H A 123 ARG HD2 1.0 1.80 4.16 2153 1770 A 123 ARG HD3 B 113 PHE H 1.0 1.80 4.16 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 83 HIS C A 84 PHE N A 84 PHE CA A 84 PHE C 1.0 -147.2 -50.2 PHI 2 2 A 93 VAL C A 94 LEU N A 94 LEU CA A 94 LEU C 1.0 -140.4 -85.7 PHI 3 3 A 118 PHE C A 119 HIS N A 119 HIS CA A 119 HIS C 1.0 -146.2 -113.2 PHI 4 4 A 120 ARG C A 121 LYS N A 121 LYS CA A 121 LYS C 1.0 -119.8 -64.7 PHI 5 5 A 138 SER C A 139 SER N A 139 SER CA A 139 SER C 1.0 -77.5 -45.7 PHI 6 6 B 74 ARG C B 75 PHE N B 75 PHE CA B 75 PHE C 1.0 -165.4 -67.7 PHI 7 7 B 75 PHE N B 75 PHE CA B 75 PHE C B 76 SER N 1.0 61.1 172.4 PSI 8 8 B 75 PHE C B 76 SER N B 76 SER CA B 76 SER C 1.0 -142.5 -80.3 PHI 9 9 B 76 SER N B 76 SER CA B 76 SER C B 77 VAL N 1.0 118.6 160.4 PSI 10 10 B 76 SER C B 77 VAL N B 77 VAL CA B 77 VAL C 1.0 -167.4 -101.3 PHI 11 11 B 77 VAL N B 77 VAL CA B 77 VAL C B 78 ASN N 1.0 117.2 181.0 PSI 12 12 B 77 VAL C B 78 ASN N B 78 ASN CA B 78 ASN C 1.0 -149.9 -87.1 PHI 13 13 B 78 ASN N B 78 ASN CA B 78 ASN C B 79 LEU N 1.0 110.6 159.6 PSI 14 14 B 78 ASN C B 79 LEU N B 79 LEU CA B 79 LEU C 1.0 -165.5 -101.3 PHI 15 15 B 79 LEU N B 79 LEU CA B 79 LEU C B 80 ASP N 1.0 102.7 169.1 PSI 16 16 B 79 LEU C B 80 ASP N B 80 ASP CA B 80 ASP C 1.0 -97.5 -52.6 PHI 17 17 B 80 ASP N B 80 ASP CA B 80 ASP C B 81 VAL N 1.0 115.0 150.2 PSI 18 18 B 83 HIS C B 84 PHE N B 84 PHE CA B 84 PHE C 1.0 -147.2 -50.2 PHI 19 19 B 84 PHE N B 84 PHE CA B 84 PHE C B 85 SER N 1.0 90.2 180.7 PSI 20 20 B 84 PHE C B 85 SER N B 85 SER CA B 85 SER C 1.0 -132.2 -46.3 PHI 21 21 B 85 SER N B 85 SER CA B 85 SER C B 86 PRO N 1.0 90.8 173.7 PSI 22 22 B 88 GLU C B 89 LEU N B 89 LEU CA B 89 LEU C 1.0 -166.1 -92.7 PHI 23 23 B 89 LEU N B 89 LEU CA B 89 LEU C B 90 LYS N 1.0 125.5 178.1 PSI 24 24 B 89 LEU C B 90 LYS N B 90 LYS CA B 90 LYS C 1.0 -148.4 -95.4 PHI 25 25 B 90 LYS N B 90 LYS CA B 90 LYS C B 91 VAL N 1.0 93.2 154.5 PSI 26 26 B 90 LYS C B 91 VAL N B 91 VAL CA B 91 VAL C 1.0 -127.4 -79.4 PHI 27 27 B 91 VAL N B 91 VAL CA B 91 VAL C B 92 LYS N 1.0 111.9 141.9 PSI 28 28 B 91 VAL C B 92 LYS N B 92 LYS CA B 92 LYS C 1.0 -158.6 -77.9 PHI 29 29 B 92 LYS N B 92 LYS CA B 92 LYS C B 93 VAL N 1.0 110.9 147.4 PSI 30 30 B 92 LYS C B 93 VAL N B 93 VAL CA B 93 VAL C 1.0 -121.4 -73.5 PHI 31 31 B 93 VAL N B 93 VAL CA B 93 VAL C B 94 LEU N 1.0 105.4 135.4 PSI 32 32 B 93 VAL C B 94 LEU N B 94 LEU CA B 94 LEU C 1.0 -140.4 -85.7 PHI 33 33 B 94 LEU N B 94 LEU CA B 94 LEU C B 95 GLY N 1.0 99.5 143.1 PSI 34 34 B 96 ASP C B 97 VAL N B 97 VAL CA B 97 VAL C 1.0 -177.7 -95.3 PHI 35 35 B 97 VAL N B 97 VAL CA B 97 VAL C B 98 ILE N 1.0 135.5 183.1 PSI 36 36 B 97 VAL C B 98 ILE N B 98 ILE CA B 98 ILE C 1.0 -141.6 -106.9 PHI 37 37 B 98 ILE N B 98 ILE CA B 98 ILE C B 99 GLU N 1.0 104.6 146.5 PSI 38 38 B 98 ILE C B 99 GLU N B 99 GLU CA B 99 GLU C 1.0 -135.8 -95.8 PHI 39 39 B 99 GLU N B 99 GLU CA B 99 GLU C B 100 VAL N 1.0 104.5 164.8 PSI 40 40 B 99 GLU C B 100 VAL N B 100 VAL CA B 100 VAL C 1.0 -136.2 -86.4 PHI 41 41 B 100 VAL N B 100 VAL CA B 100 VAL C B 101 HIS N 1.0 112.2 147.3 PSI 42 42 B 100 VAL C B 101 HIS N B 101 HIS CA B 101 HIS C 1.0 -129.3 -98.3 PHI 43 43 B 101 HIS N B 101 HIS CA B 101 HIS C B 102 GLY N 1.0 111.7 164.7 PSI 44 44 B 101 HIS C B 102 GLY N B 102 GLY CA B 102 GLY C 1.0 -143.8 -108.4 PHI 45 45 B 102 GLY N B 102 GLY CA B 102 GLY C B 103 LYS N 1.0 98.6 177.7 PSI 46 46 B 102 GLY C B 103 LYS N B 103 LYS CA B 103 LYS C 1.0 -158.3 -70.8 PHI 47 47 B 103 LYS N B 103 LYS CA B 103 LYS C B 104 HIS N 1.0 99.2 155.6 PSI 48 48 B 103 LYS C B 104 HIS N B 104 HIS CA B 104 HIS C 1.0 -167.9 -74.1 PHI 49 49 B 104 HIS N B 104 HIS CA B 104 HIS C B 105 GLU N 1.0 99.1 168.9 PSI 50 50 B 104 HIS C B 105 GLU N B 105 GLU CA B 105 GLU C 1.0 -165.7 -36.4 PHI 51 51 B 105 GLU N B 105 GLU CA B 105 GLU C B 106 GLU N 1.0 109.1 166.5 PSI 52 52 B 105 GLU C B 106 GLU N B 106 GLU CA B 106 GLU C 1.0 -109.9 -59.2 PHI 53 53 B 106 GLU N B 106 GLU CA B 106 GLU C B 107 ARG N 1.0 103.4 164.9 PSI 54 54 B 106 GLU C B 107 ARG N B 107 ARG CA B 107 ARG C 1.0 -148.3 -60.9 PHI 55 55 B 107 ARG N B 107 ARG CA B 107 ARG C B 108 GLN N 1.0 114.2 160.4 PSI 56 56 B 107 ARG C B 108 GLN N B 108 GLN CA B 108 GLN C 1.0 -115.0 -64.9 PHI 57 57 B 108 GLN N B 108 GLN CA B 108 GLN C B 109 ASP N 1.0 103.5 137.8 PSI 58 58 B 110 GLU C B 111 HIS N B 111 HIS CA B 111 HIS C 1.0 -113.9 -71.8 PHI 59 59 B 111 HIS N B 111 HIS CA B 111 HIS C B 112 GLY N 1.0 -51.6 34.2 PSI 60 60 B 112 GLY C B 113 PHE N B 113 PHE CA B 113 PHE C 1.0 -146.2 -87.5 PHI 61 61 B 113 PHE N B 113 PHE CA B 113 PHE C B 114 ILE N 1.0 116.2 170.6 PSI 62 62 B 113 PHE C B 114 ILE N B 114 ILE CA B 114 ILE C 1.0 -164.1 -107.5 PHI 63 63 B 114 ILE N B 114 ILE CA B 114 ILE C B 115 SER N 1.0 131.9 161.9 PSI 64 64 B 114 ILE C B 115 SER N B 115 SER CA B 115 SER C 1.0 -162.2 -98.1 PHI 65 65 B 115 SER N B 115 SER CA B 115 SER C B 116 ARG N 1.0 124.3 179.2 PSI 66 66 B 115 SER C B 116 ARG N B 116 ARG CA B 116 ARG C 1.0 -174.5 -114.1 PHI 67 67 B 116 ARG N B 116 ARG CA B 116 ARG C B 117 GLU N 1.0 139.3 176.4 PSI 68 68 B 116 ARG C B 117 GLU N B 117 GLU CA B 117 GLU C 1.0 -157.9 -107.2 PHI 69 69 B 117 GLU N B 117 GLU CA B 117 GLU C B 118 PHE N 1.0 103.3 168.7 PSI 70 70 B 117 GLU C B 118 PHE N B 118 PHE CA B 118 PHE C 1.0 -158.3 -78.6 PHI 71 71 B 118 PHE N B 118 PHE CA B 118 PHE C B 119 HIS N 1.0 116.9 154.1 PSI 72 72 B 118 PHE C B 119 HIS N B 119 HIS CA B 119 HIS C 1.0 -146.2 -113.2 PHI 73 73 B 119 HIS N B 119 HIS CA B 119 HIS C B 120 ARG N 1.0 98.5 159.9 PSI 74 74 B 119 HIS C B 120 ARG N B 120 ARG CA B 120 ARG C 1.0 -140.1 -91.9 PHI 75 75 B 120 ARG N B 120 ARG CA B 120 ARG C B 121 LYS N 1.0 88.5 133.2 PSI 76 76 B 120 ARG C B 121 LYS N B 121 LYS CA B 121 LYS C 1.0 -119.8 -64.7 PHI 77 77 B 121 LYS N B 121 LYS CA B 121 LYS C B 122 TYR N 1.0 83.1 152.6 PSI 78 78 B 121 LYS C B 122 TYR N B 122 TYR CA B 122 TYR C 1.0 -171.6 -74.2 PHI 79 79 B 122 TYR N B 122 TYR CA B 122 TYR C B 123 ARG N 1.0 82.8 191.6 PSI 80 80 B 122 TYR C B 123 ARG N B 123 ARG CA B 123 ARG C 1.0 -136.1 -66.6 PHI 81 81 B 123 ARG N B 123 ARG CA B 123 ARG C B 124 ILE N 1.0 76.6 149.3 PSI 82 82 B 123 ARG C B 124 ILE N B 124 ILE CA B 124 ILE C 1.0 -115.9 -55.2 PHI 83 83 B 124 ILE N B 124 ILE CA B 124 ILE C B 125 PRO N 1.0 97.0 147.3 PSI 84 84 B 125 PRO C B 126 ALA N B 126 ALA CA B 126 ALA C 1.0 -84.8 -27.5 PHI 85 85 B 126 ALA N B 126 ALA CA B 126 ALA C B 127 ASP N 1.0 -63.1 5.2 PSI 86 86 B 127 ASP C B 128 VAL N B 128 VAL CA B 128 VAL C 1.0 -155.2 -77.5 PHI 87 87 B 128 VAL N B 128 VAL CA B 128 VAL C B 129 ASP N 1.0 98.3 171.9 PSI 88 88 B 128 VAL C B 129 ASP N B 129 ASP CA B 129 ASP C 1.0 -133.3 -37.7 PHI 89 89 B 129 ASP N B 129 ASP CA B 129 ASP C B 130 PRO N 1.0 77.7 173.9 PSI 90 90 B 130 PRO N B 130 PRO CA B 130 PRO C B 131 LEU N 1.0 -45.2 -15.2 PSI 91 91 B 131 LEU C B 132 THR N B 132 THR CA B 132 THR C 1.0 -130.8 -77.1 PHI 92 92 B 132 THR N B 132 THR CA B 132 THR C B 133 ILE N 1.0 -25.9 21.4 PSI 93 93 B 132 THR C B 133 ILE N B 133 ILE CA B 133 ILE C 1.0 -128.4 -42.5 PHI 94 94 B 133 ILE N B 133 ILE CA B 133 ILE C B 134 THR N 1.0 108.6 165.6 PSI 95 95 B 133 ILE C B 134 THR N B 134 THR CA B 134 THR C 1.0 -138.2 -99.1 PHI 96 96 B 134 THR N B 134 THR CA B 134 THR C B 135 SER N 1.0 141.3 180.2 PSI 97 97 B 134 THR C B 135 SER N B 135 SER CA B 135 SER C 1.0 -174.4 -84.8 PHI 98 98 B 135 SER N B 135 SER CA B 135 SER C B 136 SER N 1.0 132.3 172.2 PSI 99 99 B 135 SER C B 136 SER N B 136 SER CA B 136 SER C 1.0 -175.5 -95.7 PHI 100 100 B 136 SER N B 136 SER CA B 136 SER C B 137 LEU N 1.0 91.0 170.2 PSI 101 101 B 136 SER C B 137 LEU N B 137 LEU CA B 137 LEU C 1.0 -148.4 -68.5 PHI 102 102 B 137 LEU N B 137 LEU CA B 137 LEU C B 138 SER N 1.0 88.0 152.4 PSI 103 103 B 137 LEU C B 138 SER N B 138 SER CA B 138 SER C 1.0 -148.3 -32.0 PHI 104 104 B 138 SER N B 138 SER CA B 138 SER C B 139 SER N 1.0 147.7 182.0 PSI 105 105 B 138 SER C B 139 SER N B 139 SER CA B 139 SER C 1.0 -77.5 -45.7 PHI 106 106 B 139 SER N B 139 SER CA B 139 SER C B 140 ASP N 1.0 -50.4 -8.5 PSI 107 107 B 139 SER C B 140 ASP N B 140 ASP CA B 140 ASP C 1.0 -119.0 -57.7 PHI 108 108 B 140 ASP N B 140 ASP CA B 140 ASP C B 141 GLY N 1.0 -36.3 19.8 PSI 109 109 B 141 GLY C B 142 VAL N B 142 VAL CA B 142 VAL C 1.0 -124.6 -67.7 PHI 110 110 B 142 VAL N B 142 VAL CA B 142 VAL C B 143 LEU N 1.0 102.3 147.5 PSI 111 111 B 142 VAL C B 143 LEU N B 143 LEU CA B 143 LEU C 1.0 -132.7 -76.1 PHI 112 112 B 143 LEU N B 143 LEU CA B 143 LEU C B 144 THR N 1.0 101.0 141.2 PSI 113 113 B 143 LEU C B 144 THR N B 144 THR CA B 144 THR C 1.0 -142.4 -82.3 PHI 114 114 B 144 THR N B 144 THR CA B 144 THR C B 145 VAL N 1.0 110.4 140.4 PSI 115 115 B 144 THR C B 145 VAL N B 145 VAL CA B 145 VAL C 1.0 -147.4 -81.2 PHI 116 116 B 145 VAL N B 145 VAL CA B 145 VAL C B 146 ASP N 1.0 114.4 144.4 PSI 117 117 B 145 VAL C B 146 ASP N B 146 ASP CA B 146 ASP C 1.0 -169.6 -104.2 PHI 118 118 B 146 ASP N B 146 ASP CA B 146 ASP C B 147 GLY N 1.0 140.4 185.7 PSI 119 119 A 74 ARG C A 75 PHE N A 75 PHE CA A 75 PHE C 1.0 -165.4 -67.7 PHI 120 120 A 75 PHE C A 76 SER N A 76 SER CA A 76 SER C 1.0 -142.5 -80.3 PHI 121 121 A 75 PHE N A 75 PHE CA A 75 PHE C A 76 SER N 1.0 61.1 172.4 PSI 122 122 A 76 SER C A 77 VAL N A 77 VAL CA A 77 VAL C 1.0 -167.4 -101.3 PHI 123 123 A 76 SER N A 76 SER CA A 76 SER C A 77 VAL N 1.0 118.6 160.4 PSI 124 124 A 77 VAL C A 78 ASN N A 78 ASN CA A 78 ASN C 1.0 -149.9 -87.1 PHI 125 125 A 77 VAL N A 77 VAL CA A 77 VAL C A 78 ASN N 1.0 117.2 181.0 PSI 126 126 A 78 ASN C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -165.5 -101.3 PHI 127 127 A 78 ASN N A 78 ASN CA A 78 ASN C A 79 LEU N 1.0 110.6 159.6 PSI 128 128 A 79 LEU C A 80 ASP N A 80 ASP CA A 80 ASP C 1.0 -97.5 -52.6 PHI 129 129 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 ASP N 1.0 102.7 169.1 PSI 130 130 A 80 ASP N A 80 ASP CA A 80 ASP C A 81 VAL N 1.0 115.0 150.2 PSI 131 131 A 84 PHE N A 84 PHE CA A 84 PHE C A 85 SER N 1.0 90.2 180.7 PSI 132 132 A 84 PHE C A 85 SER N A 85 SER CA A 85 SER C 1.0 -132.2 -46.3 PHI 133 133 A 85 SER N A 85 SER CA A 85 SER C A 86 PRO N 1.0 90.8 173.7 PSI 134 134 A 88 GLU C A 89 LEU N A 89 LEU CA A 89 LEU C 1.0 -166.1 -92.7 PHI 135 135 A 89 LEU C A 90 LYS N A 90 LYS CA A 90 LYS C 1.0 -148.4 -95.4 PHI 136 136 A 89 LEU N A 89 LEU CA A 89 LEU C A 90 LYS N 1.0 125.5 178.1 PSI 137 137 A 90 LYS C A 91 VAL N A 91 VAL CA A 91 VAL C 1.0 -127.4 -79.4 PHI 138 138 A 90 LYS N A 90 LYS CA A 90 LYS C A 91 VAL N 1.0 93.2 154.5 PSI 139 139 A 91 VAL C A 92 LYS N A 92 LYS CA A 92 LYS C 1.0 -158.6 -77.9 PHI 140 140 A 91 VAL N A 91 VAL CA A 91 VAL C A 92 LYS N 1.0 111.9 141.9 PSI 141 141 A 92 LYS C A 93 VAL N A 93 VAL CA A 93 VAL C 1.0 -121.4 -73.5 PHI 142 142 A 93 VAL N A 93 VAL CA A 93 VAL C A 94 LEU N 1.0 105.4 135.4 PSI 143 143 A 92 LYS N A 92 LYS CA A 92 LYS C A 93 VAL N 1.0 110.9 147.4 PSI 144 144 A 94 LEU N A 94 LEU CA A 94 LEU C A 95 GLY N 1.0 99.5 143.1 PSI 145 145 A 96 ASP C A 97 VAL N A 97 VAL CA A 97 VAL C 1.0 -177.7 -95.3 PHI 146 146 A 97 VAL C A 98 ILE N A 98 ILE CA A 98 ILE C 1.0 -141.6 -106.9 PHI 147 147 A 97 VAL N A 97 VAL CA A 97 VAL C A 98 ILE N 1.0 135.5 183.1 PSI 148 148 A 98 ILE C A 99 GLU N A 99 GLU CA A 99 GLU C 1.0 -135.8 -95.8 PHI 149 149 A 98 ILE N A 98 ILE CA A 98 ILE C A 99 GLU N 1.0 104.6 146.5 PSI 150 150 A 99 GLU C A 100 VAL N A 100 VAL CA A 100 VAL C 1.0 -136.2 -86.4 PHI 151 151 A 99 GLU N A 99 GLU CA A 99 GLU C A 100 VAL N 1.0 104.5 164.8 PSI 152 152 A 100 VAL C A 101 HIS N A 101 HIS CA A 101 HIS C 1.0 -129.3 -98.3 PHI 153 153 A 100 VAL N A 100 VAL CA A 100 VAL C A 101 HIS N 1.0 112.2 147.3 PSI 154 154 A 101 HIS C A 102 GLY N A 102 GLY CA A 102 GLY C 1.0 -143.8 -108.4 PHI 155 155 A 101 HIS N A 101 HIS CA A 101 HIS C A 102 GLY N 1.0 111.7 164.7 PSI 156 156 A 102 GLY C A 103 LYS N A 103 LYS CA A 103 LYS C 1.0 -158.3 -70.8 PHI 157 157 A 102 GLY N A 102 GLY CA A 102 GLY C A 103 LYS N 1.0 98.6 177.7 PSI 158 158 A 103 LYS C A 104 HIS N A 104 HIS CA A 104 HIS C 1.0 -167.9 -74.1 PHI 159 159 A 103 LYS N A 103 LYS CA A 103 LYS C A 104 HIS N 1.0 99.2 155.6 PSI 160 160 A 104 HIS C A 105 GLU N A 105 GLU CA A 105 GLU C 1.0 -165.7 -36.4 PHI 161 161 A 104 HIS N A 104 HIS CA A 104 HIS C A 105 GLU N 1.0 99.1 168.9 PSI 162 162 A 105 GLU C A 106 GLU N A 106 GLU CA A 106 GLU C 1.0 -109.9 -59.2 PHI 163 163 A 105 GLU N A 105 GLU CA A 105 GLU C A 106 GLU N 1.0 109.1 166.5 PSI 164 164 A 106 GLU C A 107 ARG N A 107 ARG CA A 107 ARG C 1.0 -148.3 -60.9 PHI 165 165 A 106 GLU N A 106 GLU CA A 106 GLU C A 107 ARG N 1.0 103.4 164.9 PSI 166 166 A 107 ARG C A 108 GLN N A 108 GLN CA A 108 GLN C 1.0 -115.0 -64.9 PHI 167 167 A 107 ARG N A 107 ARG CA A 107 ARG C A 108 GLN N 1.0 114.2 160.4 PSI 168 168 A 108 GLN N A 108 GLN CA A 108 GLN C A 109 ASP N 1.0 103.5 137.8 PSI 169 169 A 110 GLU C A 111 HIS N A 111 HIS CA A 111 HIS C 1.0 -113.9 -71.8 PHI 170 170 A 111 HIS N A 111 HIS CA A 111 HIS C A 112 GLY N 1.0 -51.6 34.2 PSI 171 171 A 112 GLY C A 113 PHE N A 113 PHE CA A 113 PHE C 1.0 -146.2 -87.5 PHI 172 172 A 113 PHE C A 114 ILE N A 114 ILE CA A 114 ILE C 1.0 -164.1 -107.5 PHI 173 173 A 113 PHE N A 113 PHE CA A 113 PHE C A 114 ILE N 1.0 116.2 170.6 PSI 174 174 A 114 ILE C A 115 SER N A 115 SER CA A 115 SER C 1.0 -162.2 -98.1 PHI 175 175 A 114 ILE N A 114 ILE CA A 114 ILE C A 115 SER N 1.0 131.9 161.9 PSI 176 176 A 115 SER C A 116 ARG N A 116 ARG CA A 116 ARG C 1.0 -174.5 -114.1 PHI 177 177 A 115 SER N A 115 SER CA A 115 SER C A 116 ARG N 1.0 124.3 179.2 PSI 178 178 A 116 ARG C A 117 GLU N A 117 GLU CA A 117 GLU C 1.0 -157.9 -107.2 PHI 179 179 A 116 ARG N A 116 ARG CA A 116 ARG C A 117 GLU N 1.0 139.3 176.4 PSI 180 180 A 117 GLU C A 118 PHE N A 118 PHE CA A 118 PHE C 1.0 -158.3 -78.6 PHI 181 181 A 117 GLU N A 117 GLU CA A 117 GLU C A 118 PHE N 1.0 103.3 168.7 PSI 182 182 A 118 PHE N A 118 PHE CA A 118 PHE C A 119 HIS N 1.0 116.9 154.1 PSI 183 183 A 119 HIS N A 119 HIS CA A 119 HIS C A 120 ARG N 1.0 98.5 159.9 PSI 184 184 A 119 HIS C A 120 ARG N A 120 ARG CA A 120 ARG C 1.0 -140.1 -91.9 PHI 185 185 A 120 ARG N A 120 ARG CA A 120 ARG C A 121 LYS N 1.0 88.5 133.2 PSI 186 186 A 121 LYS N A 121 LYS CA A 121 LYS C A 122 TYR N 1.0 83.1 152.6 PSI 187 187 A 121 LYS C A 122 TYR N A 122 TYR CA A 122 TYR C 1.0 -171.6 -74.2 PHI 188 188 A 122 TYR C A 123 ARG N A 123 ARG CA A 123 ARG C 1.0 -136.1 -66.6 PHI 189 189 A 122 TYR N A 122 TYR CA A 122 TYR C A 123 ARG N 1.0 82.8 191.6 PSI 190 190 A 123 ARG C A 124 ILE N A 124 ILE CA A 124 ILE C 1.0 -115.9 -55.2 PHI 191 191 A 124 ILE N A 124 ILE CA A 124 ILE C A 125 PRO N 1.0 97.0 147.3 PSI 192 192 A 123 ARG N A 123 ARG CA A 123 ARG C A 124 ILE N 1.0 76.6 149.3 PSI 193 193 A 125 PRO C A 126 ALA N A 126 ALA CA A 126 ALA C 1.0 -84.8 -27.5 PHI 194 194 A 126 ALA N A 126 ALA CA A 126 ALA C A 127 ASP N 1.0 -63.1 5.2 PSI 195 195 A 127 ASP C A 128 VAL N A 128 VAL CA A 128 VAL C 1.0 -155.2 -77.5 PHI 196 196 A 128 VAL C A 129 ASP N A 129 ASP CA A 129 ASP C 1.0 -133.3 -37.7 PHI 197 197 A 128 VAL N A 128 VAL CA A 128 VAL C A 129 ASP N 1.0 98.3 171.9 PSI 198 198 A 129 ASP N A 129 ASP CA A 129 ASP C A 130 PRO N 1.0 77.7 173.9 PSI 199 199 A 130 PRO N A 130 PRO CA A 130 PRO C A 131 LEU N 1.0 -45.2 -15.2 PSI 200 200 A 131 LEU C A 132 THR N A 132 THR CA A 132 THR C 1.0 -130.8 -77.1 PHI 201 201 A 132 THR C A 133 ILE N A 133 ILE CA A 133 ILE C 1.0 -128.4 -42.5 PHI 202 202 A 132 THR N A 132 THR CA A 132 THR C A 133 ILE N 1.0 -25.9 21.4 PSI 203 203 A 133 ILE C A 134 THR N A 134 THR CA A 134 THR C 1.0 -138.2 -99.1 PHI 204 204 A 133 ILE N A 133 ILE CA A 133 ILE C A 134 THR N 1.0 108.6 165.6 PSI 205 205 A 134 THR C A 135 SER N A 135 SER CA A 135 SER C 1.0 -174.4 -84.8 PHI 206 206 A 134 THR N A 134 THR CA A 134 THR C A 135 SER N 1.0 141.3 180.2 PSI 207 207 A 135 SER C A 136 SER N A 136 SER CA A 136 SER C 1.0 -175.5 -95.7 PHI 208 208 A 135 SER N A 135 SER CA A 135 SER C A 136 SER N 1.0 132.3 172.2 PSI 209 209 A 136 SER C A 137 LEU N A 137 LEU CA A 137 LEU C 1.0 -148.4 -68.5 PHI 210 210 A 136 SER N A 136 SER CA A 136 SER C A 137 LEU N 1.0 91.0 170.2 PSI 211 211 A 137 LEU C A 138 SER N A 138 SER CA A 138 SER C 1.0 -148.3 -32.0 PHI 212 212 A 138 SER N A 138 SER CA A 138 SER C A 139 SER N 1.0 147.7 182.0 PSI 213 213 A 137 LEU N A 137 LEU CA A 137 LEU C A 138 SER N 1.0 88.0 152.4 PSI 214 214 A 139 SER N A 139 SER CA A 139 SER C A 140 ASP N 1.0 -50.4 -8.5 PSI 215 215 A 139 SER C A 140 ASP N A 140 ASP CA A 140 ASP C 1.0 -119.0 -57.7 PHI 216 216 A 140 ASP N A 140 ASP CA A 140 ASP C A 141 GLY N 1.0 -36.3 19.8 PSI 217 217 A 141 GLY C A 142 VAL N A 142 VAL CA A 142 VAL C 1.0 -124.6 -67.7 PHI 218 218 A 142 VAL C A 143 LEU N A 143 LEU CA A 143 LEU C 1.0 -132.7 -76.1 PHI 219 219 A 142 VAL N A 142 VAL CA A 142 VAL C A 143 LEU N 1.0 102.3 147.5 PSI 220 220 A 143 LEU C A 144 THR N A 144 THR CA A 144 THR C 1.0 -142.4 -82.3 PHI 221 221 A 143 LEU N A 143 LEU CA A 143 LEU C A 144 THR N 1.0 101.0 141.2 PSI 222 222 A 144 THR C A 145 VAL N A 145 VAL CA A 145 VAL C 1.0 -147.4 -81.2 PHI 223 223 A 144 THR N A 144 THR CA A 144 THR C A 145 VAL N 1.0 110.4 140.4 PSI 224 224 A 145 VAL C A 146 ASP N A 146 ASP CA A 146 ASP C 1.0 -169.6 -104.2 PHI 225 225 A 145 VAL N A 145 VAL CA A 145 VAL C A 146 ASP N 1.0 114.4 144.4 PSI 226 226 A 146 ASP N A 146 ASP CA A 146 ASP C A 147 GLY N 1.0 140.4 185.7 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 66 SER H A 66 SER N 1.0 . . . 2 2 A 67 GLU H A 67 GLU N 1.0 . . . 3 3 A 68 MET H A 68 MET N 1.0 . . . 4 4 A 69 ARG H A 69 ARG N 1.0 . . . 5 5 A 70 LEU H A 70 LEU N 1.0 . . . 6 6 A 71 GLU H A 71 GLU N 1.0 . . . 7 7 A 72 LYS H A 72 LYS N 1.0 . . . 8 8 A 73 ASP H A 73 ASP N 1.0 . . . 9 9 A 74 ARG H A 74 ARG N 1.0 . . . 10 10 A 75 PHE H A 75 PHE N 1.0 . . . 11 11 A 76 SER H A 76 SER N 1.0 . . . 12 12 A 77 VAL H A 77 VAL N 1.0 . . . 13 13 A 78 ASN H A 78 ASN N 1.0 . . . 14 14 A 79 LEU H A 79 LEU N 1.0 . . . 15 15 A 80 ASP H A 80 ASP N 1.0 . . . 16 16 A 81 VAL H A 81 VAL N 1.0 . . . 17 17 A 83 HIS H A 83 HIS N 1.0 . . . 18 18 A 85 SER H A 85 SER N 1.0 . . . 19 19 A 87 GLU H A 87 GLU N 1.0 . . . 20 20 A 88 GLU H A 88 GLU N 1.0 . . . 21 21 A 89 LEU H A 89 LEU N 1.0 . . . 22 22 A 90 LYS H A 90 LYS N 1.0 . . . 23 23 A 91 VAL H A 91 VAL N 1.0 . . . 24 24 A 92 LYS H A 92 LYS N 1.0 . . . 25 25 A 93 VAL H A 93 VAL N 1.0 . . . 26 26 A 95 GLY H A 95 GLY N 1.0 . . . 27 27 A 96 ASP H A 96 ASP N 1.0 . . . 28 28 A 97 VAL H A 97 VAL N 1.0 . . . 29 29 A 98 ILE H A 98 ILE N 1.0 . . . 30 30 A 99 GLU H A 99 GLU N 1.0 . . . 31 31 A 100 VAL H A 100 VAL N 1.0 . . . 32 32 A 101 HIS H A 101 HIS N 1.0 . . . 33 33 A 102 GLY H A 102 GLY N 1.0 . . . 34 34 A 103 LYS H A 103 LYS N 1.0 . . . 35 35 A 104 HIS H A 104 HIS N 1.0 . . . 36 36 A 105 GLU H A 105 GLU N 1.0 . . . 37 37 A 106 GLU H A 106 GLU N 1.0 . . . 38 38 A 107 ARG H A 107 ARG N 1.0 . . . 39 39 A 108 GLN H A 108 GLN N 1.0 . . . 40 40 A 109 ASP H A 109 ASP N 1.0 . . . 41 41 A 110 GLU H A 110 GLU N 1.0 . . . 42 42 A 111 HIS H A 111 HIS N 1.0 . . . 43 43 A 112 GLY H A 112 GLY N 1.0 . . . 44 44 A 113 PHE H A 113 PHE N 1.0 . . . 45 45 A 114 ILE H A 114 ILE N 1.0 . . . 46 46 A 115 SER H A 115 SER N 1.0 . . . 47 47 A 116 ARG H A 116 ARG N 1.0 . . . 48 48 A 117 GLU H A 117 GLU N 1.0 . . . 49 49 A 118 PHE H A 118 PHE N 1.0 . . . 50 50 A 120 ARG H A 120 ARG N 1.0 . . . 51 51 A 122 TYR H A 122 TYR N 1.0 . . . 52 52 A 123 ARG H A 123 ARG N 1.0 . . . 53 53 A 124 ILE H A 124 ILE N 1.0 . . . 54 54 A 126 ALA H A 126 ALA N 1.0 . . . 55 55 A 127 ASP H A 127 ASP N 1.0 . . . 56 56 A 128 VAL H A 128 VAL N 1.0 . . . 57 57 A 129 ASP H A 129 ASP N 1.0 . . . 58 58 A 131 LEU H A 131 LEU N 1.0 . . . 59 59 A 132 THR H A 132 THR N 1.0 . . . 60 60 A 133 ILE H A 133 ILE N 1.0 . . . 61 61 A 134 THR H A 134 THR N 1.0 . . . 62 62 A 135 SER H A 135 SER N 1.0 . . . 63 63 A 136 SER H A 136 SER N 1.0 . . . 64 64 A 137 LEU H A 137 LEU N 1.0 . . . 65 65 A 138 SER H A 138 SER N 1.0 . . . 66 66 A 140 ASP H A 140 ASP N 1.0 . . . 67 67 A 141 GLY H A 141 GLY N 1.0 . . . 68 68 A 142 VAL H A 142 VAL N 1.0 . . . 69 69 A 143 LEU H A 143 LEU N 1.0 . . . 70 70 A 144 THR H A 144 THR N 1.0 . . . 71 71 A 145 VAL H A 145 VAL N 1.0 . . . 72 72 A 146 ASP H A 146 ASP N 1.0 . . . 73 73 A 147 GLY H A 147 GLY N 1.0 . . . 74 74 A 149 ARG H A 149 ARG N 1.0 . . . 75 75 A 150 LYS H A 150 LYS N 1.0 . . . 76 76 A 151 GLN H A 151 GLN N 1.0 . . . 77 77 A 152 VAL H A 152 VAL N 1.0 . . . 78 78 A 66 SER H A 66 SER N 1.0 . . . 79 79 A 67 GLU H A 67 GLU N 1.0 . . . 80 80 A 68 MET H A 68 MET N 1.0 . . . 81 81 A 69 ARG H A 69 ARG N 1.0 . . . 82 82 A 70 LEU H A 70 LEU N 1.0 . . . 83 83 A 71 GLU H A 71 GLU N 1.0 . . . 84 84 A 72 LYS H A 72 LYS N 1.0 . . . 85 85 A 73 ASP H A 73 ASP N 1.0 . . . 86 86 A 74 ARG H A 74 ARG N 1.0 . . . 87 87 A 75 PHE H A 75 PHE N 1.0 . . . 88 88 A 76 SER H A 76 SER N 1.0 . . . 89 89 A 77 VAL H A 77 VAL N 1.0 . . . 90 90 A 78 ASN H A 78 ASN N 1.0 . . . 91 91 A 79 LEU H A 79 LEU N 1.0 . . . 92 92 A 80 ASP H A 80 ASP N 1.0 . . . 93 93 A 81 VAL H A 81 VAL N 1.0 . . . 94 94 A 83 HIS H A 83 HIS N 1.0 . . . 95 95 A 85 SER H A 85 SER N 1.0 . . . 96 96 A 87 GLU H A 87 GLU N 1.0 . . . 97 97 A 88 GLU H A 88 GLU N 1.0 . . . 98 98 A 89 LEU H A 89 LEU N 1.0 . . . 99 99 A 90 LYS H A 90 LYS N 1.0 . . . 100 100 A 91 VAL H A 91 VAL N 1.0 . . . 101 101 A 92 LYS H A 92 LYS N 1.0 . . . 102 102 A 93 VAL H A 93 VAL N 1.0 . . . 103 103 A 95 GLY H A 95 GLY N 1.0 . . . 104 104 A 96 ASP H A 96 ASP N 1.0 . . . 105 105 A 97 VAL H A 97 VAL N 1.0 . . . 106 106 A 98 ILE H A 98 ILE N 1.0 . . . 107 107 A 99 GLU H A 99 GLU N 1.0 . . . 108 108 A 100 VAL H A 100 VAL N 1.0 . . . 109 109 A 101 HIS H A 101 HIS N 1.0 . . . 110 110 A 102 GLY H A 102 GLY N 1.0 . . . 111 111 A 103 LYS H A 103 LYS N 1.0 . . . 112 112 A 104 HIS H A 104 HIS N 1.0 . . . 113 113 A 105 GLU H A 105 GLU N 1.0 . . . 114 114 A 106 GLU H A 106 GLU N 1.0 . . . 115 115 A 107 ARG H A 107 ARG N 1.0 . . . 116 116 A 108 GLN H A 108 GLN N 1.0 . . . 117 117 A 109 ASP H A 109 ASP N 1.0 . . . 118 118 A 110 GLU H A 110 GLU N 1.0 . . . 119 119 A 111 HIS H A 111 HIS N 1.0 . . . 120 120 A 112 GLY H A 112 GLY N 1.0 . . . 121 121 A 113 PHE H A 113 PHE N 1.0 . . . 122 122 A 114 ILE H A 114 ILE N 1.0 . . . 123 123 A 115 SER H A 115 SER N 1.0 . . . 124 124 A 116 ARG H A 116 ARG N 1.0 . . . 125 125 A 117 GLU H A 117 GLU N 1.0 . . . 126 126 A 118 PHE H A 118 PHE N 1.0 . . . 127 127 A 120 ARG H A 120 ARG N 1.0 . . . 128 128 A 122 TYR H A 122 TYR N 1.0 . . . 129 129 A 123 ARG H A 123 ARG N 1.0 . . . 130 130 A 124 ILE H A 124 ILE N 1.0 . . . 131 131 A 126 ALA H A 126 ALA N 1.0 . . . 132 132 A 127 ASP H A 127 ASP N 1.0 . . . 133 133 A 128 VAL H A 128 VAL N 1.0 . . . 134 134 A 129 ASP H A 129 ASP N 1.0 . . . 135 135 A 131 LEU H A 131 LEU N 1.0 . . . 136 136 A 132 THR H A 132 THR N 1.0 . . . 137 137 A 133 ILE H A 133 ILE N 1.0 . . . 138 138 A 134 THR H A 134 THR N 1.0 . . . 139 139 A 135 SER H A 135 SER N 1.0 . . . 140 140 A 136 SER H A 136 SER N 1.0 . . . 141 141 A 137 LEU H A 137 LEU N 1.0 . . . 142 142 A 138 SER H A 138 SER N 1.0 . . . 143 143 A 140 ASP H A 140 ASP N 1.0 . . . 144 144 A 141 GLY H A 141 GLY N 1.0 . . . 145 145 A 142 VAL H A 142 VAL N 1.0 . . . 146 146 A 143 LEU H A 143 LEU N 1.0 . . . 147 147 A 144 THR H A 144 THR N 1.0 . . . 148 148 A 145 VAL H A 145 VAL N 1.0 . . . 149 149 A 146 ASP H A 146 ASP N 1.0 . . . 150 150 A 147 GLY H A 147 GLY N 1.0 . . . 151 151 A 149 ARG H A 149 ARG N 1.0 . . . 152 152 A 150 LYS H A 150 LYS N 1.0 . . . 153 153 A 151 GLN H A 151 GLN N 1.0 . . . 154 154 A 152 VAL H A 152 VAL N 1.0 . . . stop_ save_