data_nef_c15490_2jvv save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 SER middle . . 3 A 3 GLU middle . . 4 A 4 ALA middle . . 5 A 5 PRO middle . false 6 A 6 LYS middle . . 7 A 7 LYS middle . . 8 A 8 ARG middle . . 9 A 9 TRP middle . . 10 A 10 TYR middle . . 11 A 11 VAL middle . . 12 A 12 VAL middle . . 13 A 13 GLN middle . . 14 A 14 ALA middle . . 15 A 15 PHE middle . . 16 A 16 SER middle . . 17 A 17 GLY middle . false 18 A 18 PHE middle . . 19 A 19 GLU middle . . 20 A 20 GLY middle . false 21 A 21 ARG middle . . 22 A 22 VAL middle . . 23 A 23 ALA middle . . 24 A 24 THR middle . . 25 A 25 SER middle . . 26 A 26 LEU middle . . 27 A 27 ARG middle . . 28 A 28 GLU middle . . 29 A 29 HIS middle . . 30 A 30 ILE middle . . 31 A 31 LYS middle . . 32 A 32 LEU middle . . 33 A 33 HIS middle . . 34 A 34 ASN middle . . 35 A 35 MET middle . . 36 A 36 GLU middle . . 37 A 37 ASP middle . . 38 A 38 LEU middle . . 39 A 39 PHE middle . . 40 A 40 GLY middle . false 41 A 41 GLU middle . . 42 A 42 VAL middle . . 43 A 43 MET middle . . 44 A 44 VAL middle . . 45 A 45 PRO middle . false 46 A 46 THR middle . . 47 A 47 GLU middle . . 48 A 48 GLU middle . . 49 A 49 VAL middle . . 50 A 50 VAL middle . . 51 A 51 GLU middle . . 52 A 52 ILE middle . . 53 A 53 ARG middle . . 54 A 54 GLY middle . false 55 A 55 GLY middle . false 56 A 56 GLN middle . . 57 A 57 ARG middle . . 58 A 58 ARG middle . . 59 A 59 LYS middle . . 60 A 60 SER middle . . 61 A 61 GLU middle . . 62 A 62 ARG middle . . 63 A 63 LYS middle . . 64 A 64 PHE middle . . 65 A 65 PHE middle . . 66 A 66 PRO middle . false 67 A 67 GLY middle . false 68 A 68 TYR middle . . 69 A 69 VAL middle . . 70 A 70 LEU middle . . 71 A 71 VAL middle . . 72 A 72 GLN middle . . 73 A 73 MET middle . . 74 A 74 VAL middle . . 75 A 75 MET middle . . 76 A 76 ASN middle . . 77 A 77 ASP middle . . 78 A 78 ALA middle . . 79 A 79 SER middle . . 80 A 80 TRP middle . . 81 A 81 HIS middle . . 82 A 82 LEU middle . . 83 A 83 VAL middle . . 84 A 84 ARG middle . . 85 A 85 SER middle . . 86 A 86 VAL middle . . 87 A 87 PRO middle . false 88 A 88 ARG middle . . 89 A 89 VAL middle . . 90 A 90 MET middle . . 91 A 91 GLY middle . false 92 A 92 PHE middle . . 93 A 93 ILE middle . . 94 A 94 GLY middle . false 95 A 95 GLY middle . false 96 A 96 THR middle . . 97 A 97 SER middle . . 98 A 98 ASP middle . . 99 A 99 ARG middle . . 100 A 100 PRO middle . false 101 A 101 ALA middle . . 102 A 102 PRO middle . false 103 A 103 ILE middle . . 104 A 104 SER middle . . 105 A 105 ASP middle . . 106 A 106 LYS middle . . 107 A 107 GLU middle . . 108 A 108 VAL middle . . 109 A 109 ASP middle . . 110 A 110 ALA middle . . 111 A 111 ILE middle . . 112 A 112 MET middle . . 113 A 113 ASN middle . . 114 A 114 ARG middle . . 115 A 115 LEU middle . . 116 A 116 GLN middle . . 117 A 117 GLN middle . . 118 A 118 VAL middle . . 119 A 119 GLY middle . false 120 A 120 ASP middle . . 121 A 121 LYS middle . . 122 A 122 PRO middle . false 123 A 123 ARG middle . . 124 A 124 PRO middle . false 125 A 125 LYS middle . . 126 A 126 THR middle . . 127 A 127 LEU middle . . 128 A 128 PHE middle . . 129 A 129 GLU middle . . 130 A 130 PRO middle . false 131 A 131 GLY middle . false 132 A 132 GLU middle . . 133 A 133 MET middle . . 134 A 134 VAL middle . . 135 A 135 ARG middle . . 136 A 136 VAL middle . . 137 A 137 ASN middle . . 138 A 138 ASP middle . . 139 A 139 GLY middle . false 140 A 140 PRO middle . false 141 A 141 PHE middle . . 142 A 142 ALA middle . . 143 A 143 ASP middle . . 144 A 144 PHE middle . . 145 A 145 ASN middle . . 146 A 146 GLY middle . false 147 A 147 VAL middle . . 148 A 148 VAL middle . . 149 A 149 GLU middle . . 150 A 150 GLU middle . . 151 A 151 VAL middle . . 152 A 152 ASP middle . . 153 A 153 TYR middle . . 154 A 154 GLU middle . . 155 A 155 LYS middle . . 156 A 156 SER middle . . 157 A 157 ARG middle . . 158 A 158 LEU middle . . 159 A 159 LYS middle . . 160 A 160 VAL middle . . 161 A 161 SER middle . . 162 A 162 VAL middle . . 163 A 163 SER middle . . 164 A 164 ILE middle . . 165 A 165 PHE middle . . 166 A 166 GLY middle . false 167 A 167 ARG middle . . 168 A 168 ALA middle . . 169 A 169 THR middle . . 170 A 170 PRO middle . false 171 A 171 VAL middle . . 172 A 172 GLU middle . . 173 A 173 LEU middle . . 174 A 174 ASP middle . . 175 A 175 PHE middle . . 176 A 176 SER middle . . 177 A 177 GLN middle . . 178 A 178 VAL middle . . 179 A 179 GLU middle . . 180 A 180 LYS middle . . 181 A 181 ALA end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 124 PRO HA H 1 4.43 0.03 A 124 PRO HBx H 1 1.86 0.03 A 124 PRO HBy H 1 2.31 0.03 A 124 PRO HDy H 1 3.86 0.03 A 124 PRO HDx H 1 3.63 0.03 A 124 PRO HGy H 1 2.04 0.03 A 124 PRO HGx H 1 1.99 0.03 A 124 PRO C C 13 176.76 0.2 A 124 PRO CA C 13 62.93 0.2 A 124 PRO CB C 13 32.21 0.2 A 124 PRO CD C 13 50.60 0.2 A 124 PRO CG C 13 27.50 0.2 A 125 LYS H H 1 8.52 0.03 A 125 LYS HA H 1 4.27 0.03 A 125 LYS HBx H 1 1.74 0.03 A 125 LYS HBy H 1 1.83 0.03 A 125 LYS HDy H 1 1.70 0.03 A 125 LYS HEy H 1 2.99 0.03 A 125 LYS HGx H 1 1.43 0.03 A 125 LYS HGy H 1 1.50 0.03 A 125 LYS C C 13 176.62 0.2 A 125 LYS CA C 13 56.79 0.2 A 125 LYS CB C 13 32.66 0.2 A 125 LYS CD C 13 29.21 0.2 A 125 LYS CE C 13 42.10 0.2 A 125 LYS CG C 13 24.91 0.2 A 125 LYS N N 15 121.94 0.1 A 126 THR H H 1 8.02 0.03 A 126 THR HA H 1 4.14 0.03 A 126 THR HB H 1 4.00 0.03 A 126 THR HG2% H 1 0.91 0.03 A 126 THR C C 13 172.84 0.2 A 126 THR CA C 13 61.89 0.2 A 126 THR CB C 13 69.84 0.2 A 126 THR CG2 C 13 22.20 0.2 A 126 THR N N 15 116.37 0.1 A 127 LEU H H 1 7.93 0.03 A 127 LEU HA H 1 4.55 0.03 A 127 LEU HBx H 1 1.38 0.03 A 127 LEU HBy H 1 1.49 0.03 A 127 LEU HDx% H 1 0.85 0.03 A 127 LEU HDy% H 1 0.78 0.03 A 127 LEU HG H 1 1.46 0.03 A 127 LEU C C 13 175.75 0.2 A 127 LEU CA C 13 54.56 0.2 A 127 LEU CB C 13 43.48 0.2 A 127 LEU CDy C 13 25.11 0.2 A 127 LEU CDx C 13 23.76 0.2 A 127 LEU CG C 13 27.00 0.2 A 127 LEU N N 15 124.51 0.1 A 128 PHE H H 1 7.62 0.03 A 128 PHE HA H 1 4.97 0.03 A 128 PHE HBx H 1 2.19 0.03 A 128 PHE HBy H 1 2.60 0.03 A 128 PHE HD1 H 1 6.38 0.03 A 128 PHE HD2 H 1 6.38 0.03 A 128 PHE HE1 H 1 6.49 0.03 A 128 PHE HE2 H 1 6.49 0.03 A 128 PHE HZ H 1 6.97 0.03 A 128 PHE C C 13 174.32 0.2 A 128 PHE CA C 13 56.63 0.2 A 128 PHE CB C 13 44.08 0.2 A 128 PHE CD1 C 13 131.50 0.2 A 128 PHE CD2 C 13 131.50 0.2 A 128 PHE CE1 C 13 130.70 0.2 A 128 PHE CE2 C 13 130.70 0.2 A 128 PHE CZ C 13 129.70 0.2 A 128 PHE N N 15 117.32 0.1 A 129 GLU H H 1 9.02 0.03 A 129 GLU HA H 1 4.94 0.03 A 129 GLU HBx H 1 1.78 0.03 A 129 GLU HBy H 1 2.02 0.03 A 129 GLU HG2 H 1 2.22 0.03 A 129 GLU HG3 H 1 2.22 0.03 A 129 GLU CA C 13 52.80 0.2 A 129 GLU CB C 13 32.00 0.2 A 129 GLU CG C 13 35.78 0.2 A 129 GLU N N 15 120.56 0.1 A 130 PRO HA H 1 3.93 0.03 A 130 PRO HBx H 1 1.93 0.03 A 130 PRO HBy H 1 2.23 0.03 A 130 PRO HDx H 1 3.75 0.03 A 130 PRO HDy H 1 3.83 0.03 A 130 PRO HGx H 1 1.74 0.03 A 130 PRO HGy H 1 2.33 0.03 A 130 PRO C C 13 177.35 0.2 A 130 PRO CA C 13 63.78 0.2 A 130 PRO CB C 13 31.45 0.2 A 130 PRO CD C 13 50.83 0.2 A 130 PRO CG C 13 28.77 0.2 A 131 GLY H H 1 9.36 0.03 A 131 GLY HAx H 1 3.48 0.03 A 131 GLY HAy H 1 4.45 0.03 A 131 GLY C C 13 174.25 0.2 A 131 GLY CA C 13 44.89 0.2 A 131 GLY N N 15 112.98 0.1 A 132 GLU H H 1 7.84 0.03 A 132 GLU HA H 1 4.40 0.03 A 132 GLU HB2 H 1 2.06 0.03 A 132 GLU HB3 H 1 2.06 0.03 A 132 GLU HG2 H 1 2.39 0.03 A 132 GLU HG3 H 1 2.39 0.03 A 132 GLU C C 13 175.03 0.2 A 132 GLU CA C 13 56.69 0.2 A 132 GLU CB C 13 31.60 0.2 A 132 GLU CG C 13 36.70 0.2 A 132 GLU N N 15 120.83 0.1 A 133 MET H H 1 8.68 0.03 A 133 MET HA H 1 5.28 0.03 A 133 MET HB2 H 1 2.10 0.03 A 133 MET HB3 H 1 2.10 0.03 A 133 MET HE% H 1 2.04 0.03 A 133 MET HGx H 1 2.55 0.03 A 133 MET HGy H 1 2.65 0.03 A 133 MET C C 13 176.67 0.2 A 133 MET CA C 13 54.60 0.2 A 133 MET CB C 13 33.03 0.2 A 133 MET CE C 13 16.60 0.2 A 133 MET CG C 13 32.16 0.2 A 133 MET N N 15 121.97 0.1 A 134 VAL H H 1 9.08 0.03 A 134 VAL HA H 1 5.06 0.03 A 134 VAL HB H 1 2.05 0.03 A 134 VAL HGx% H 1 0.43 0.03 A 134 VAL HGy% H 1 0.67 0.03 A 134 VAL C C 13 173.77 0.2 A 134 VAL CA C 13 58.65 0.2 A 134 VAL CB C 13 36.09 0.2 A 134 VAL CGx C 13 17.96 0.2 A 134 VAL CGy C 13 22.35 0.2 A 134 VAL N N 15 116.28 0.1 A 135 ARG H H 1 9.03 0.03 A 135 ARG HA H 1 4.98 0.03 A 135 ARG HBx H 1 1.61 0.03 A 135 ARG HBy H 1 1.70 0.03 A 135 ARG HDx H 1 3.19 0.03 A 135 ARG HDy H 1 3.24 0.03 A 135 ARG HGx H 1 1.42 0.03 A 135 ARG HGy H 1 1.46 0.03 A 135 ARG C C 13 175.54 0.2 A 135 ARG CA C 13 54.62 0.2 A 135 ARG CB C 13 33.24 0.2 A 135 ARG CD C 13 43.50 0.2 A 135 ARG CG C 13 27.67 0.2 A 135 ARG N N 15 121.68 0.1 A 136 VAL H H 1 8.75 0.03 A 136 VAL HA H 1 4.24 0.03 A 136 VAL HB H 1 2.56 0.03 A 136 VAL HGx% H 1 1.08 0.03 A 136 VAL HGy% H 1 0.72 0.03 A 136 VAL C C 13 177.25 0.2 A 136 VAL CA C 13 63.22 0.2 A 136 VAL CB C 13 31.02 0.2 A 136 VAL CGy C 13 22.90 0.2 A 136 VAL CGx C 13 21.06 0.2 A 136 VAL N N 15 127.25 0.1 A 137 ASN H H 1 9.16 0.03 A 137 ASN HA H 1 5.14 0.03 A 137 ASN HBy H 1 2.93 0.03 A 137 ASN HBx H 1 2.52 0.03 A 137 ASN C C 13 175.26 0.2 A 137 ASN CA C 13 52.56 0.2 A 137 ASN CB C 13 40.72 0.2 A 137 ASN N N 15 125.31 0.1 A 138 ASP H H 1 7.31 0.03 A 138 ASP HA H 1 4.99 0.03 A 138 ASP HBx H 1 2.39 0.03 A 138 ASP HBy H 1 2.99 0.03 A 138 ASP C C 13 174.63 0.2 A 138 ASP CA C 13 54.03 0.2 A 138 ASP CB C 13 45.99 0.2 A 138 ASP N N 15 117.20 0.1 A 139 GLY H H 1 8.27 0.03 A 139 GLY HAx H 1 3.85 0.03 A 139 GLY HAy H 1 4.37 0.03 A 139 GLY CA C 13 45.27 0.2 A 139 GLY N N 15 108.68 0.1 A 140 PRO HA H 1 4.19 0.03 A 140 PRO HBx H 1 1.14 0.03 A 140 PRO HBy H 1 2.06 0.03 A 140 PRO HDx H 1 3.50 0.03 A 140 PRO HDy H 1 3.80 0.03 A 140 PRO HGx H 1 1.78 0.03 A 140 PRO HGy H 1 1.87 0.03 A 140 PRO C C 13 177.81 0.2 A 140 PRO CA C 13 64.49 0.2 A 140 PRO CB C 13 31.61 0.2 A 140 PRO CD C 13 49.56 0.2 A 140 PRO CG C 13 27.15 0.2 A 141 PHE H H 1 8.96 0.03 A 141 PHE HA H 1 4.58 0.03 A 141 PHE HBx H 1 2.94 0.03 A 141 PHE HBy H 1 3.23 0.03 A 141 PHE HD1 H 1 6.76 0.03 A 141 PHE HD2 H 1 6.76 0.03 A 141 PHE HE1 H 1 7.10 0.03 A 141 PHE HE2 H 1 7.10 0.03 A 141 PHE HZ H 1 7.33 0.03 A 141 PHE C C 13 173.30 0.2 A 141 PHE CA C 13 56.74 0.2 A 141 PHE CB C 13 37.00 0.2 A 141 PHE CD1 C 13 131.20 0.2 A 141 PHE CD2 C 13 131.20 0.2 A 141 PHE CE1 C 13 131.20 0.2 A 141 PHE CE2 C 13 131.20 0.2 A 141 PHE N N 15 116.14 0.1 A 142 ALA H H 1 7.40 0.03 A 142 ALA HA H 1 3.52 0.03 A 142 ALA HB% H 1 1.23 0.03 A 142 ALA C C 13 178.01 0.2 A 142 ALA CA C 13 54.09 0.2 A 142 ALA CB C 13 17.99 0.2 A 142 ALA N N 15 121.25 0.1 A 143 ASP H H 1 8.93 0.03 A 143 ASP HA H 1 4.19 0.03 A 143 ASP HBx H 1 2.81 0.03 A 143 ASP HBy H 1 3.00 0.03 A 143 ASP C C 13 176.18 0.2 A 143 ASP CA C 13 57.21 0.2 A 143 ASP CB C 13 39.67 0.2 A 143 ASP N N 15 113.70 0.1 A 144 PHE H H 1 8.28 0.03 A 144 PHE HA H 1 4.72 0.03 A 144 PHE HBx H 1 3.08 0.03 A 144 PHE HBy H 1 3.38 0.03 A 144 PHE HD1 H 1 7.37 0.03 A 144 PHE HD2 H 1 7.37 0.03 A 144 PHE HE1 H 1 7.13 0.03 A 144 PHE HE2 H 1 7.13 0.03 A 144 PHE C C 13 174.94 0.2 A 144 PHE CA C 13 58.38 0.2 A 144 PHE CB C 13 39.69 0.2 A 144 PHE N N 15 119.10 0.1 A 145 ASN H H 1 8.85 0.03 A 145 ASN HA H 1 5.74 0.03 A 145 ASN HBx H 1 2.75 0.03 A 145 ASN HBy H 1 2.81 0.03 A 145 ASN C C 13 175.29 0.2 A 145 ASN CA C 13 52.01 0.2 A 145 ASN CB C 13 41.20 0.2 A 145 ASN N N 15 117.59 0.1 A 146 GLY H H 1 8.95 0.03 A 146 GLY HAx H 1 3.48 0.03 A 146 GLY HAy H 1 4.72 0.03 A 146 GLY C C 13 170.78 0.2 A 146 GLY CA C 13 45.76 0.2 A 146 GLY N N 15 105.84 0.1 A 147 VAL H H 1 8.01 0.03 A 147 VAL HA H 1 4.90 0.03 A 147 VAL HB H 1 1.88 0.03 A 147 VAL HGx% H 1 0.94 0.03 A 147 VAL HGy% H 1 0.87 0.03 A 147 VAL C C 13 176.20 0.2 A 147 VAL CA C 13 59.90 0.2 A 147 VAL CB C 13 34.81 0.2 A 147 VAL CGy C 13 21.53 0.2 A 147 VAL CGx C 13 20.82 0.2 A 147 VAL N N 15 118.32 0.1 A 148 VAL H H 1 9.05 0.03 A 148 VAL HA H 1 3.67 0.03 A 148 VAL HB H 1 2.34 0.03 A 148 VAL HGx% H 1 0.89 0.03 A 148 VAL HGy% H 1 0.57 0.03 A 148 VAL C C 13 176.28 0.2 A 148 VAL CA C 13 64.99 0.2 A 148 VAL CB C 13 32.05 0.2 A 148 VAL CGy C 13 23.70 0.2 A 148 VAL CGx C 13 22.94 0.2 A 148 VAL N N 15 126.69 0.1 A 149 GLU H H 1 9.57 0.03 A 149 GLU HA H 1 4.66 0.03 A 149 GLU HBx H 1 1.68 0.03 A 149 GLU HBy H 1 2.03 0.03 A 149 GLU HGx H 1 2.13 0.03 A 149 GLU HGy H 1 2.23 0.03 A 149 GLU C C 13 176.01 0.2 A 149 GLU CA C 13 57.46 0.2 A 149 GLU CB C 13 31.91 0.2 A 149 GLU CG C 13 36.01 0.2 A 149 GLU N N 15 129.00 0.1 A 150 GLU H H 1 7.66 0.03 A 150 GLU HA H 1 4.62 0.03 A 150 GLU HBx H 1 1.88 0.03 A 150 GLU HBy H 1 2.01 0.03 A 150 GLU HGx H 1 2.18 0.03 A 150 GLU HGy H 1 2.27 0.03 A 150 GLU C C 13 173.74 0.2 A 150 GLU CA C 13 55.39 0.2 A 150 GLU CB C 13 34.58 0.2 A 150 GLU CG C 13 36.43 0.2 A 150 GLU N N 15 115.69 0.1 A 151 VAL H H 1 8.89 0.03 A 151 VAL HA H 1 4.24 0.03 A 151 VAL HB H 1 1.80 0.03 A 151 VAL HG1% H 1 0.58 0.03 A 151 VAL HG2% H 1 0.58 0.03 A 151 VAL C C 13 173.46 0.2 A 151 VAL CA C 13 61.78 0.2 A 151 VAL CB C 13 34.94 0.2 A 151 VAL CGx C 13 21.17 0.2 A 151 VAL CGy C 13 21.17 0.2 A 151 VAL N N 15 122.37 0.1 A 152 ASP H H 1 8.77 0.03 A 152 ASP HA H 1 5.00 0.03 A 152 ASP HBx H 1 2.44 0.03 A 152 ASP HBy H 1 2.91 0.03 A 152 ASP C C 13 176.92 0.2 A 152 ASP CA C 13 52.01 0.2 A 152 ASP CB C 13 41.68 0.2 A 152 ASP N N 15 126.68 0.1 A 153 TYR H H 1 8.96 0.03 A 153 TYR HA H 1 4.32 0.03 A 153 TYR HBx H 1 3.01 0.03 A 153 TYR HBy H 1 3.29 0.03 A 153 TYR HD1 H 1 7.46 0.03 A 153 TYR HD2 H 1 7.46 0.03 A 153 TYR HE1 H 1 7.16 0.03 A 153 TYR HE2 H 1 7.16 0.03 A 153 TYR C C 13 178.19 0.2 A 153 TYR CA C 13 61.91 0.2 A 153 TYR CB C 13 38.52 0.2 A 153 TYR CD1 C 13 133.30 0.2 A 153 TYR CD2 C 13 133.30 0.2 A 153 TYR CE1 C 13 118.80 0.2 A 153 TYR CE2 C 13 118.80 0.2 A 153 TYR N N 15 122.73 0.1 A 154 GLU H H 1 8.47 0.03 A 154 GLU HA H 1 4.17 0.03 A 154 GLU HBx H 1 2.19 0.03 A 154 GLU HBy H 1 2.28 0.03 A 154 GLU HGx H 1 2.31 0.03 A 154 GLU HGy H 1 2.41 0.03 A 154 GLU C C 13 175.96 0.2 A 154 GLU CA C 13 59.38 0.2 A 154 GLU CB C 13 29.40 0.2 A 154 GLU CG C 13 36.68 0.2 A 154 GLU N N 15 120.47 0.1 A 155 LYS H H 1 7.51 0.03 A 155 LYS HA H 1 4.31 0.03 A 155 LYS HBx H 1 1.29 0.03 A 155 LYS HBy H 1 1.83 0.03 A 155 LYS HD2 H 1 1.57 0.03 A 155 LYS HD3 H 1 1.57 0.03 A 155 LYS HEx H 1 2.94 0.03 A 155 LYS HEy H 1 3.03 0.03 A 155 LYS HGx H 1 1.29 0.03 A 155 LYS HGy H 1 1.45 0.03 A 155 LYS C C 13 175.60 0.2 A 155 LYS CA C 13 55.12 0.2 A 155 LYS CB C 13 33.00 0.2 A 155 LYS CD C 13 29.45 0.2 A 155 LYS CE C 13 42.24 0.2 A 155 LYS CG C 13 25.45 0.2 A 155 LYS N N 15 115.61 0.1 A 156 SER H H 1 7.42 0.03 A 156 SER HA H 1 2.46 0.03 A 156 SER HBx H 1 3.22 0.03 A 156 SER HBy H 1 3.92 0.03 A 156 SER C C 13 173.97 0.2 A 156 SER CA C 13 58.28 0.2 A 156 SER CB C 13 61.03 0.2 A 156 SER N N 15 114.11 0.1 A 157 ARG H H 1 7.76 0.03 A 157 ARG HA H 1 5.18 0.03 A 157 ARG HBx H 1 1.45 0.03 A 157 ARG HBy H 1 1.73 0.03 A 157 ARG HDx H 1 3.04 0.03 A 157 ARG HDy H 1 3.15 0.03 A 157 ARG HGx H 1 1.53 0.03 A 157 ARG HGy H 1 1.58 0.03 A 157 ARG C C 13 174.09 0.2 A 157 ARG CA C 13 53.33 0.2 A 157 ARG CB C 13 35.10 0.2 A 157 ARG CD C 13 43.22 0.2 A 157 ARG CG C 13 26.57 0.2 A 157 ARG N N 15 117.59 0.1 A 158 LEU H H 1 9.45 0.03 A 158 LEU HA H 1 5.01 0.03 A 158 LEU HBy H 1 1.52 0.03 A 158 LEU HBx H 1 1.27 0.03 A 158 LEU HDx% H 1 0.04 0.03 A 158 LEU HDy% H 1 0.39 0.03 A 158 LEU HG H 1 1.34 0.03 A 158 LEU C C 13 175.11 0.2 A 158 LEU CA C 13 53.39 0.2 A 158 LEU CB C 13 46.43 0.2 A 158 LEU CDy C 13 26.69 0.2 A 158 LEU CDx C 13 25.77 0.2 A 158 LEU CG C 13 26.49 0.2 A 158 LEU N N 15 121.51 0.1 A 159 LYS H H 1 8.46 0.03 A 159 LYS HA H 1 5.02 0.03 A 159 LYS HBx H 1 1.67 0.03 A 159 LYS HBy H 1 1.73 0.03 A 159 LYS HDx H 1 1.53 0.03 A 159 LYS HDy H 1 1.60 0.03 A 159 LYS HE2 H 1 2.85 0.03 A 159 LYS HE3 H 1 2.85 0.03 A 159 LYS HGx H 1 1.16 0.03 A 159 LYS HGy H 1 1.30 0.03 A 159 LYS C C 13 175.51 0.2 A 159 LYS CA C 13 55.60 0.2 A 159 LYS CB C 13 34.38 0.2 A 159 LYS CD C 13 29.45 0.2 A 159 LYS CE C 13 41.95 0.2 A 159 LYS CG C 13 25.29 0.2 A 159 LYS N N 15 121.37 0.1 A 160 VAL H H 1 9.19 0.03 A 160 VAL HA H 1 4.69 0.03 A 160 VAL HB H 1 1.61 0.03 A 160 VAL HGx% H 1 0.41 0.03 A 160 VAL HGy% H 1 0.58 0.03 A 160 VAL C C 13 174.11 0.2 A 160 VAL CA C 13 59.51 0.2 A 160 VAL CB C 13 35.23 0.2 A 160 VAL CGx C 13 21.35 0.2 A 160 VAL CGy C 13 22.54 0.2 A 160 VAL N N 15 125.89 0.1 A 161 SER H H 1 9.00 0.03 A 161 SER HA H 1 4.72 0.03 A 161 SER HBx H 1 3.68 0.03 A 161 SER HBy H 1 3.68 0.03 A 161 SER C C 13 175.06 0.2 A 161 SER CA C 13 56.95 0.2 A 161 SER CB C 13 62.93 0.2 A 161 SER N N 15 120.52 0.1 A 162 VAL H H 1 8.76 0.03 A 162 VAL HA H 1 4.37 0.03 A 162 VAL HB H 1 1.75 0.03 A 162 VAL HGx% H 1 0.65 0.03 A 162 VAL HGy% H 1 0.47 0.03 A 162 VAL C C 13 174.96 0.2 A 162 VAL CA C 13 60.91 0.2 A 162 VAL CB C 13 33.63 0.2 A 162 VAL CGy C 13 21.92 0.2 A 162 VAL CGx C 13 20.91 0.2 A 162 VAL N N 15 127.97 0.1 A 163 SER H H 1 8.80 0.03 A 163 SER HA H 1 4.61 0.03 A 163 SER HBx H 1 3.68 0.03 A 163 SER HBy H 1 3.83 0.03 A 163 SER C C 13 173.93 0.2 A 163 SER CA C 13 57.37 0.2 A 163 SER CB C 13 63.03 0.2 A 163 SER N N 15 120.41 0.1 A 164 ILE H H 1 8.27 0.03 A 164 ILE HA H 1 4.06 0.03 A 164 ILE HB H 1 1.69 0.03 A 164 ILE HD1% H 1 0.46 0.03 A 164 ILE HG1x H 1 0.55 0.03 A 164 ILE HG1y H 1 1.16 0.03 A 164 ILE HG2% H 1 0.69 0.03 A 164 ILE C C 13 175.87 0.2 A 164 ILE CA C 13 60.23 0.2 A 164 ILE CB C 13 38.24 0.2 A 164 ILE CD1 C 13 13.17 0.2 A 164 ILE CG1 C 13 26.80 0.2 A 164 ILE CG2 C 13 17.01 0.2 A 164 ILE N N 15 127.59 0.1 A 165 PHE H H 1 8.94 0.03 A 165 PHE HA H 1 4.34 0.03 A 165 PHE HBx H 1 3.12 0.03 A 165 PHE HBy H 1 3.42 0.03 A 165 PHE HD1 H 1 7.28 0.03 A 165 PHE HD2 H 1 7.28 0.03 A 165 PHE C C 13 176.27 0.2 A 165 PHE CA C 13 58.52 0.2 A 165 PHE CB C 13 36.99 0.2 A 165 PHE CD1 C 13 131.80 0.2 A 165 PHE CD2 C 13 131.80 0.2 A 165 PHE N N 15 126.14 0.1 A 166 GLY H H 1 8.18 0.03 A 166 GLY HAx H 1 3.55 0.03 A 166 GLY HAy H 1 4.22 0.03 A 166 GLY C C 13 173.80 0.2 A 166 GLY CA C 13 45.42 0.2 A 166 GLY N N 15 103.47 0.1 A 167 ARG H H 1 7.80 0.03 A 167 ARG HA H 1 4.59 0.03 A 167 ARG HBx H 1 1.81 0.03 A 167 ARG HBy H 1 1.89 0.03 A 167 ARG HDx H 1 3.20 0.03 A 167 ARG HDy H 1 3.25 0.03 A 167 ARG HGy H 1 1.64 0.03 A 167 ARG HGx H 1 1.54 0.03 A 167 ARG C C 13 175.62 0.2 A 167 ARG CA C 13 54.75 0.2 A 167 ARG CB C 13 31.72 0.2 A 167 ARG CD C 13 43.60 0.2 A 167 ARG CG C 13 27.20 0.2 A 167 ARG N N 15 120.96 0.1 A 168 ALA H H 1 8.72 0.03 A 168 ALA HA H 1 4.52 0.03 A 168 ALA HB% H 1 1.25 0.03 A 168 ALA C C 13 177.69 0.2 A 168 ALA CA C 13 52.83 0.2 A 168 ALA CB C 13 18.73 0.2 A 168 ALA N N 15 130.96 0.1 A 169 THR H H 1 9.06 0.03 A 169 THR HA H 1 4.74 0.03 A 169 THR HB H 1 3.88 0.03 A 169 THR HG2% H 1 1.03 0.03 A 169 THR CA C 13 59.87 0.2 A 169 THR CB C 13 72.27 0.2 A 169 THR CG2 C 13 19.60 0.2 A 169 THR N N 15 122.74 0.1 A 170 PRO HA H 1 4.96 0.03 A 170 PRO HBx H 1 1.76 0.03 A 170 PRO HBy H 1 2.06 0.03 A 170 PRO HDy H 1 3.83 0.03 A 170 PRO HDx H 1 3.62 0.03 A 170 PRO HGx H 1 2.03 0.03 A 170 PRO HGy H 1 2.20 0.03 A 170 PRO C C 13 177.05 0.2 A 170 PRO CA C 13 62.15 0.2 A 170 PRO CB C 13 31.63 0.2 A 170 PRO CD C 13 50.64 0.2 A 170 PRO CG C 13 27.16 0.2 A 171 VAL H H 1 9.08 0.03 A 171 VAL HA H 1 4.26 0.03 A 171 VAL HB H 1 1.72 0.03 A 171 VAL HGx% H 1 0.42 0.03 A 171 VAL HGy% H 1 0.61 0.03 A 171 VAL C C 13 173.82 0.2 A 171 VAL CA C 13 60.91 0.2 A 171 VAL CB C 13 35.40 0.2 A 171 VAL CGx C 13 20.40 0.2 A 171 VAL CGy C 13 21.17 0.2 A 171 VAL N N 15 122.94 0.1 A 172 GLU H H 1 8.44 0.03 A 172 GLU HA H 1 5.26 0.03 A 172 GLU HBx H 1 1.83 0.03 A 172 GLU HBy H 1 1.88 0.03 A 172 GLU HGx H 1 2.01 0.03 A 172 GLU HGy H 1 2.17 0.03 A 172 GLU C C 13 175.52 0.2 A 172 GLU CA C 13 55.23 0.2 A 172 GLU CB C 13 31.50 0.2 A 172 GLU CG C 13 37.30 0.2 A 172 GLU N N 15 126.17 0.1 A 173 LEU H H 1 8.89 0.03 A 173 LEU HA H 1 4.83 0.03 A 173 LEU HBx H 1 1.21 0.03 A 173 LEU HBy H 1 1.66 0.03 A 173 LEU HDx% H 1 0.61 0.03 A 173 LEU HDy% H 1 0.90 0.03 A 173 LEU HG H 1 1.36 0.03 A 173 LEU C C 13 175.73 0.2 A 173 LEU CA C 13 53.40 0.2 A 173 LEU CB C 13 47.16 0.2 A 173 LEU CDy C 13 27.99 0.2 A 173 LEU CDx C 13 23.95 0.2 A 173 LEU CG C 13 26.90 0.2 A 173 LEU N N 15 125.38 0.1 A 174 ASP H H 1 9.03 0.03 A 174 ASP HA H 1 5.20 0.03 A 174 ASP HBx H 1 2.63 0.03 A 174 ASP HBy H 1 2.94 0.03 A 174 ASP C C 13 178.15 0.2 A 174 ASP CA C 13 54.33 0.2 A 174 ASP CB C 13 42.87 0.2 A 174 ASP N N 15 120.39 0.1 A 175 PHE H H 1 8.15 0.03 A 175 PHE HA H 1 4.14 0.03 A 175 PHE HBx H 1 3.42 0.03 A 175 PHE HBy H 1 3.42 0.03 A 175 PHE HD1 H 1 7.07 0.03 A 175 PHE HD2 H 1 7.07 0.03 A 175 PHE HE1 H 1 7.33 0.03 A 175 PHE HE2 H 1 7.33 0.03 A 175 PHE HZ H 1 6.75 0.03 A 175 PHE C C 13 177.71 0.2 A 175 PHE CA C 13 58.80 0.2 A 175 PHE CB C 13 37.96 0.2 A 175 PHE CD1 C 13 129.60 0.2 A 175 PHE CD2 C 13 129.60 0.2 A 175 PHE CE1 C 13 131.80 0.2 A 175 PHE CE2 C 13 131.80 0.2 A 175 PHE CZ C 13 128.60 0.2 A 175 PHE N N 15 121.89 0.1 A 176 SER H H 1 8.58 0.03 A 176 SER HA H 1 4.42 0.03 A 176 SER HBy H 1 4.17 0.03 A 176 SER HBx H 1 4.01 0.03 A 176 SER C C 13 175.79 0.2 A 176 SER CA C 13 60.29 0.2 A 176 SER CB C 13 63.21 0.2 A 176 SER N N 15 109.76 0.1 A 177 GLN H H 1 7.93 0.03 A 177 GLN HA H 1 4.72 0.03 A 177 GLN HBx H 1 2.36 0.03 A 177 GLN HBy H 1 2.36 0.03 A 177 GLN HGx H 1 2.52 0.03 A 177 GLN HGy H 1 2.52 0.03 A 177 GLN C C 13 174.53 0.2 A 177 GLN CA C 13 56.64 0.2 A 177 GLN CB C 13 31.63 0.2 A 177 GLN CG C 13 36.25 0.2 A 177 GLN N N 15 119.20 0.1 A 178 VAL H H 1 7.39 0.03 A 178 VAL HA H 1 5.32 0.03 A 178 VAL HB H 1 1.80 0.03 A 178 VAL HGx% H 1 0.66 0.03 A 178 VAL HGy% H 1 0.51 0.03 A 178 VAL C C 13 173.95 0.2 A 178 VAL CA C 13 58.57 0.2 A 178 VAL CB C 13 36.09 0.2 A 178 VAL CGy C 13 23.08 0.2 A 178 VAL CGx C 13 19.93 0.2 A 178 VAL N N 15 109.92 0.1 A 179 GLU H H 1 8.76 0.03 A 179 GLU HA H 1 4.86 0.03 A 179 GLU HBy H 1 2.12 0.03 A 179 GLU HBx H 1 2.03 0.03 A 179 GLU HGy H 1 2.34 0.03 A 179 GLU HGx H 1 2.22 0.03 A 179 GLU C C 13 175.39 0.2 A 179 GLU CA C 13 53.97 0.2 A 179 GLU CB C 13 33.82 0.2 A 179 GLU CG C 13 35.78 0.2 A 179 GLU N N 15 117.55 0.1 A 180 LYS H H 1 8.87 0.03 A 180 LYS HA H 1 4.37 0.03 A 180 LYS HBx H 1 1.78 0.03 A 180 LYS HBy H 1 1.83 0.03 A 180 LYS HD2 H 1 1.64 0.03 A 180 LYS HD3 H 1 1.64 0.03 A 180 LYS HEx H 1 2.69 0.03 A 180 LYS HEy H 1 2.77 0.03 A 180 LYS HG2 H 1 1.59 0.03 A 180 LYS HG3 H 1 1.59 0.03 A 180 LYS C C 13 175.84 0.2 A 180 LYS CA C 13 58.04 0.2 A 180 LYS CB C 13 33.09 0.2 A 180 LYS CD C 13 28.99 0.2 A 180 LYS CE C 13 42.11 0.2 A 180 LYS CG C 13 26.06 0.2 A 180 LYS N N 15 122.53 0.1 A 181 ALA H H 1 7.98 0.03 A 181 ALA HA H 1 4.19 0.03 A 181 ALA HB% H 1 1.21 0.03 A 181 ALA CA C 13 53.58 0.2 A 181 ALA CB C 13 20.36 0.2 A 181 ALA N N 15 131.73 0.1 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 181 ALA H A 134 VAL HA 1.0 0.0 4.0 2 2 A 181 ALA H A 180 LYS HA 1.0 0.0 3.0 3 3 A 134 VAL HA A 181 ALA HB% 1.0 0.0 4.0 4 4 A 181 ALA HB% A 133 MET HGy 1.0 0.0 5.0 5 5 A 181 ALA HB% A 133 MET HGx 1.0 0.0 4.0 6 6 A 181 ALA HB% A 133 MET HB2 1.0 0.0 3.0 7 6 A 181 ALA HB% A 133 MET HB3 1.0 0.0 3.0 8 7 A 181 ALA H A 180 LYS H 1.0 0.0 5.0 9 8 A 180 LYS H A 128 PHE HE% 1.0 0.0 5.0 10 9 A 180 LYS H A 128 PHE HZ 1.0 0.0 5.0 11 10 A 180 LYS H A 179 GLU HA 1.0 0.0 3.0 12 11 A 180 LYS H A 179 GLU HBy 1.0 0.0 5.0 13 12 A 180 LYS H A 179 GLU HBx 1.0 0.0 5.0 14 13 A 134 VAL HA A 180 LYS HA 1.0 0.0 3.0 15 14 A 180 LYS HA A 134 VAL HGy% 1.0 0.0 5.0 16 15 A 128 PHE HE% A 180 LYS HG2 1.0 0.0 5.0 17 15 A 128 PHE HE% A 180 LYS HG3 1.0 0.0 5.0 18 16 A 134 VAL HGy% A 180 LYS HG2 1.0 0.0 5.0 19 16 A 134 VAL HGy% A 180 LYS HG3 1.0 0.0 5.0 20 17 A 128 PHE HD% A 180 LYS HD2 1.0 0.0 5.0 21 17 A 180 LYS HD3 A 128 PHE HD% 1.0 0.0 5.0 22 18 A 128 PHE HE% A 180 LYS HD2 1.0 0.0 5.0 23 18 A 128 PHE HE% A 180 LYS HD3 1.0 0.0 5.0 24 19 A 128 PHE HD% A 180 LYS HEy 1.0 0.0 5.0 25 20 A 128 PHE HE% A 180 LYS HEy 1.0 0.0 5.0 26 21 A 128 PHE HD% A 180 LYS HEx 1.0 0.0 5.0 27 22 A 128 PHE HE% A 180 LYS HEx 1.0 0.0 5.0 28 23 A 179 GLU H A 135 ARG H 1.0 0.0 3.0 29 24 A 179 GLU H A 137 ASN H 1.0 0.0 5.0 30 25 A 179 GLU H A 178 VAL HA 1.0 0.0 4.0 31 26 A 179 GLU H A 178 VAL HB 1.0 0.0 5.0 32 27 A 179 GLU H A 178 VAL HGy% 1.0 0.0 5.0 33 28 A 134 VAL HGy% A 179 GLU H 1.0 0.0 5.0 34 29 A 179 GLU H A 136 VAL HA 1.0 0.0 5.0 35 30 A 179 GLU HBy A 137 ASN HD2x 1.0 0.0 5.0 36 31 A 178 VAL H A 177 GLN H 1.0 0.0 4.0 37 32 A 178 VAL H A 176 SER H 1.0 0.0 5.0 38 33 A 178 VAL H A 176 SER HA 1.0 0.0 5.0 39 34 A 178 VAL H A 176 SER HBy 1.0 0.0 6.0 40 35 A 178 VAL H A 176 SER HBx 1.0 0.0 6.0 41 36 A 178 VAL H A 158 LEU HDx% 1.0 0.0 5.0 42 37 A 137 ASN H A 178 VAL HA 1.0 0.0 4.0 43 38 A 178 VAL HA A 136 VAL HA 1.0 0.0 3.0 44 39 A 178 VAL HA A 136 VAL HGx% 1.0 0.0 5.0 45 40 A 178 VAL HB A 134 VAL HB 1.0 0.0 4.0 46 41 A 128 PHE HZ A 178 VAL HGy% 1.0 0.0 4.0 47 42 A 178 VAL HGy% A 175 PHE HA 1.0 0.0 5.0 48 43 A 178 VAL HGy% A 134 VAL HB 1.0 0.0 5.0 49 44 A 178 VAL HGy% A 158 LEU HDx% 1.0 0.0 4.0 50 45 A 178 VAL HGx% A 177 GLN HA 1.0 0.0 5.0 51 46 A 158 LEU HDx% A 178 VAL HGx% 1.0 0.0 4.0 52 47 A 136 VAL HGx% A 178 VAL HGx% 1.0 0.0 5.0 53 48 A 177 GLN H A 176 SER H 1.0 0.0 5.0 54 49 A 177 GLN H A 174 ASP H 1.0 0.0 5.0 55 50 A 177 GLN H A 176 SER HA 1.0 0.0 5.0 56 51 A 177 GLN H A 175 PHE HA 1.0 0.0 5.0 57 52 A 176 SER H A 174 ASP H 1.0 0.0 6.0 58 53 A 176 SER H A 175 PHE H 1.0 0.0 5.0 59 54 A 176 SER H A 174 ASP HA 1.0 0.0 5.0 60 55 A 176 SER H A 175 PHE HBx 1.0 0.0 5.0 61 55 A 176 SER H A 175 PHE HBy 1.0 0.0 5.0 62 56 A 175 PHE H A 174 ASP HA 1.0 0.0 2.7 63 57 A 175 PHE H A 174 ASP HBy 1.0 0.0 5.0 64 58 A 178 VAL HGy% A 175 PHE H 1.0 0.0 5.0 65 59 A 158 LEU HDx% A 175 PHE H 1.0 0.0 5.0 66 60 A 158 LEU HDx% A 175 PHE HA 1.0 0.0 5.0 67 61 A 175 PHE HD% A 158 LEU H 1.0 0.0 5.0 68 62 A 128 PHE HD% A 175 PHE HD% 1.0 0.0 5.0 69 63 A 128 PHE HE% A 175 PHE HD% 1.0 0.0 5.0 70 64 A 175 PHE HD% A 157 ARG HA 1.0 0.0 5.0 71 65 A 175 PHE HD% A 158 LEU HA 1.0 0.0 6.0 72 66 A 175 PHE HD% A 158 LEU HBy 1.0 0.0 5.0 73 67 A 175 PHE HD% A 158 LEU HG 1.0 0.0 5.0 74 68 A 158 LEU HDx% A 175 PHE HD% 1.0 0.0 5.0 75 69 A 158 LEU H A 175 PHE HE% 1.0 0.0 5.0 76 70 A 158 LEU HA A 175 PHE HE% 1.0 0.0 5.0 77 71 A 158 LEU HBy A 175 PHE HE% 1.0 0.0 5.0 78 72 A 158 LEU HG A 175 PHE HE% 1.0 0.0 5.0 79 73 A 158 LEU HDx% A 175 PHE HE% 1.0 0.0 5.0 80 74 A 157 ARG HA A 175 PHE HE% 1.0 0.0 5.0 81 75 A 175 PHE HE% A 152 ASP H 1.0 0.0 5.0 82 76 A 158 LEU HG A 175 PHE HZ 1.0 0.0 5.0 83 77 A 174 ASP H A 173 LEU HA 1.0 0.0 4.0 84 78 A 174 ASP H A 173 LEU HDy% 1.0 0.0 5.0 85 79 A 174 ASP HBy A 177 GLN HBx 1.0 0.0 5.0 86 79 A 174 ASP HBy A 177 GLN HBy 1.0 0.0 5.0 87 80 A 174 ASP HBx A 177 GLN HBx 1.0 0.0 5.0 88 80 A 177 GLN HBy A 174 ASP HBx 1.0 0.0 5.0 89 81 A 158 LEU H A 173 LEU H 1.0 0.0 4.0 90 82 A 173 LEU H A 159 LYS HA 1.0 0.0 5.0 91 83 A 173 LEU H A 172 GLU HA 1.0 0.0 4.0 92 84 A 136 VAL HGx% A 173 LEU HDx% 1.0 0.0 5.0 93 85 A 173 LEU HDx% A 160 VAL HGx% 1.0 0.0 4.0 94 86 A 173 LEU HDy% A 139 GLY HAx 1.0 0.0 5.0 95 87 A 172 GLU H A 171 VAL HA 1.0 0.0 4.0 96 88 A 172 GLU H A 171 VAL HB 1.0 0.0 5.0 97 89 A 172 GLU H A 171 VAL HGx% 1.0 0.0 5.0 98 90 A 172 GLU H A 171 VAL HGy% 1.0 0.0 5.0 99 91 A 172 GLU HA A 160 VAL H 1.0 0.0 5.0 100 92 A 158 LEU H A 172 GLU HA 1.0 0.0 5.0 101 93 A 158 LEU H A 172 GLU HBy 1.0 0.0 5.0 102 94 A 160 VAL H A 171 VAL H 1.0 0.0 5.0 103 95 A 171 VAL H A 162 VAL H 1.0 0.0 4.0 104 96 A 171 VAL H A 161 SER HA 1.0 0.0 5.0 105 97 A 171 VAL HGy% A 162 VAL H 1.0 0.0 4.0 106 98 A 171 VAL HGy% A 141 PHE HZ 1.0 0.0 5.0 107 99 A 171 VAL HGy% A 141 PHE HE% 1.0 0.0 4.0 108 100 A 171 VAL HGy% A 141 PHE HD% 1.0 0.0 4.0 109 101 A 171 VAL HGx% A 162 VAL H 1.0 0.0 4.0 110 102 A 171 VAL HGx% A 141 PHE HE% 1.0 0.0 4.0 111 103 A 171 VAL HGx% A 141 PHE HD% 1.0 0.0 4.0 112 104 A 171 VAL HGx% A 169 THR HB 1.0 0.0 5.0 113 105 A 162 VAL H A 169 THR H 1.0 0.0 4.0 114 106 A 169 THR H A 164 ILE H 1.0 0.0 5.0 115 107 A 169 THR H A 168 ALA HA 1.0 0.0 4.0 116 108 A 169 THR HB A 162 VAL HB 1.0 0.0 4.0 117 109 A 169 THR HB A 162 VAL HGy% 1.0 0.0 4.0 118 110 A 162 VAL H A 169 THR HG2% 1.0 0.0 5.0 119 111 A 141 PHE HE% A 169 THR HG2% 1.0 0.0 4.0 120 112 A 171 VAL HGy% A 169 THR HG2% 1.0 0.0 4.0 121 113 A 171 VAL HGx% A 169 THR HG2% 1.0 0.0 3.0 122 114 A 168 ALA H A 167 ARG HA 1.0 0.0 3.0 123 115 A 168 ALA H A 167 ARG HBy 1.0 0.0 5.0 124 116 A 164 ILE H A 168 ALA HA 1.0 0.0 5.0 125 117 A 168 ALA HA A 163 SER HA 1.0 0.0 3.0 126 118 A 169 THR H A 168 ALA HB% 1.0 0.0 5.0 127 119 A 164 ILE H A 167 ARG H 1.0 0.0 4.0 128 120 A 167 ARG H A 166 GLY H 1.0 0.0 3.0 129 121 A 167 ARG H A 166 GLY HAy 1.0 0.0 5.0 130 122 A 167 ARG H A 166 GLY HAx 1.0 0.0 5.0 131 123 A 166 GLY H A 165 PHE HA 1.0 0.0 4.0 132 124 A 165 PHE H A 164 ILE HA 1.0 0.0 3.0 133 125 A 165 PHE HD% A 164 ILE HG2% 1.0 0.0 5.0 134 126 A 164 ILE H A 163 SER HA 1.0 0.0 4.0 135 127 A 164 ILE HA A 144 PHE HD% 1.0 0.0 5.0 136 128 A 164 ILE HG2% A 144 PHE HD% 1.0 0.0 5.0 137 129 A 164 ILE HG2% A 144 PHE HE% 1.0 0.0 5.0 138 130 A 141 PHE HZ A 164 ILE HD1% 1.0 0.0 5.0 139 131 A 141 PHE HE% A 164 ILE HD1% 1.0 0.0 5.0 140 132 A 141 PHE HD% A 164 ILE HD1% 1.0 0.0 5.0 141 133 A 169 THR HB A 164 ILE HD1% 1.0 0.0 4.0 142 134 A 162 VAL HB A 164 ILE HD1% 1.0 0.0 5.0 143 135 A 169 THR HG2% A 164 ILE HD1% 1.0 0.0 4.0 144 136 A 163 SER H A 146 GLY HAy 1.0 0.0 5.0 145 137 A 163 SER H A 162 VAL HA 1.0 0.0 4.0 146 138 A 163 SER H A 146 GLY HAx 1.0 0.0 5.0 147 139 A 162 VAL HB A 163 SER H 1.0 0.0 5.0 148 140 A 163 SER H A 162 VAL HGx% 1.0 0.0 3.0 149 141 A 162 VAL HGy% A 163 SER H 1.0 0.0 5.0 150 142 A 163 SER H A 163 SER HBx 1.0 0.0 3.0 151 143 A 169 THR H A 163 SER HA 1.0 0.0 5.0 152 144 A 163 SER HA A 168 ALA HB% 1.0 0.0 5.0 153 145 A 162 VAL H A 161 SER HA 1.0 0.0 4.0 154 146 A 162 VAL H A 169 THR HB 1.0 0.0 5.0 155 147 A 162 VAL H A 168 ALA HB% 1.0 0.0 5.0 156 148 A 146 GLY HAy A 162 VAL HA 1.0 0.0 4.0 157 149 A 162 VAL HA A 146 GLY HAx 1.0 0.0 4.0 158 150 A 162 VAL HB A 144 PHE HBx 1.0 0.0 5.0 159 151 A 162 VAL HB A 164 ILE HD1% 1.0 0.0 4.0 160 152 A 141 PHE HD% A 162 VAL HGx% 1.0 0.0 5.0 161 153 A 162 VAL HGx% A 144 PHE HBy 1.0 0.0 4.0 162 154 A 162 VAL HGx% A 141 PHE HBy 1.0 0.0 5.0 163 155 A 162 VAL HGx% A 144 PHE HBx 1.0 0.0 4.0 164 156 A 162 VAL HGx% A 141 PHE HBx 1.0 0.0 5.0 165 157 A 169 THR H A 162 VAL HGy% 1.0 0.0 5.0 166 158 A 162 VAL HGy% A 164 ILE HG1y 1.0 0.0 4.0 167 159 A 161 SER H A 149 GLU H 1.0 0.0 5.0 168 160 A 161 SER H A 147 VAL H 1.0 0.0 4.0 169 161 A 161 SER H A 160 VAL HA 1.0 0.0 4.0 170 162 A 161 SER H A 160 VAL HGy% 1.0 0.0 5.0 171 163 A 160 VAL HGx% A 161 SER H 1.0 0.0 5.0 172 164 A 147 VAL H A 161 SER HBx 1.0 0.0 5.0 173 164 A 147 VAL H A 161 SER HBy 1.0 0.0 5.0 174 165 A 168 ALA HB% A 161 SER HBx 1.0 0.0 5.0 175 165 A 168 ALA HB% A 161 SER HBy 1.0 0.0 5.0 176 166 A 173 LEU H A 160 VAL H 1.0 0.0 5.0 177 167 A 160 VAL HA A 148 VAL HA 1.0 0.0 3.0 178 168 A 149 GLU H A 160 VAL HGy% 1.0 0.0 4.0 179 169 A 160 VAL HGy% A 150 GLU H 1.0 0.0 5.0 180 170 A 160 VAL HGy% A 147 VAL HA 1.0 0.0 5.0 181 171 A 160 VAL HGy% A 148 VAL HA 1.0 0.0 3.0 182 172 A 160 VAL HGx% A 149 GLU H 1.0 0.0 5.0 183 173 A 160 VAL HGx% A 147 VAL H 1.0 0.0 4.0 184 174 A 160 VAL HGx% A 147 VAL HA 1.0 0.0 5.0 185 175 A 160 VAL HGx% A 148 VAL HA 1.0 0.0 4.0 186 176 A 160 VAL HGx% A 146 GLY HAx 1.0 0.0 4.0 187 177 A 158 LEU HA A 159 LYS H 1.0 0.0 4.0 188 178 A 159 LYS H A 151 VAL HA 1.0 0.0 5.0 189 179 A 159 LYS H A 150 GLU HBy 1.0 0.0 5.0 190 180 A 158 LEU HBy A 159 LYS H 1.0 0.0 5.0 191 181 A 159 LYS HA A 160 VAL H 1.0 0.0 3.0 192 182 A 159 LYS HA A 172 GLU HA 1.0 0.0 3.0 193 183 A 150 GLU H A 159 LYS HBy 1.0 0.0 5.0 194 184 A 158 LEU H A 157 ARG HA 1.0 0.0 4.0 195 185 A 158 LEU H A 157 ARG HBy 1.0 0.0 5.0 196 186 A 158 LEU HA A 151 VAL HA 1.0 0.0 3.0 197 187 A 158 LEU HA A 151 VAL HG1% 1.0 0.0 4.0 198 188 A 151 VAL HA A 158 LEU HBx 1.0 0.0 5.0 199 189 A 158 LEU HBx A 128 PHE HBy 1.0 0.0 5.0 200 190 A 128 PHE HD% A 158 LEU HDx% 1.0 0.0 5.0 201 191 A 158 LEU HDx% A 128 PHE HBy 1.0 0.0 5.0 202 192 A 158 LEU HDx% A 148 VAL HGy% 1.0 0.0 4.0 203 193 A 158 LEU HDx% A 148 VAL HGx% 1.0 0.0 4.0 204 194 A 152 ASP H A 157 ARG H 1.0 0.0 4.0 205 195 A 157 ARG H A 156 SER H 1.0 0.0 4.0 206 196 A 157 ARG H A 153 TYR HA 1.0 0.0 5.0 207 197 A 157 ARG H A 152 ASP HBy 1.0 0.0 5.0 208 198 A 157 ARG H A 156 SER HA 1.0 0.0 2.7 209 199 A 174 ASP HA A 157 ARG HDy 1.0 0.0 4.0 210 200 A 156 SER H A 154 GLU H 1.0 0.0 5.0 211 201 A 156 SER H A 155 LYS H 1.0 0.0 4.0 212 202 A 156 SER H A 152 ASP HA 1.0 0.0 6.0 213 203 A 156 SER H A 155 LYS HA 1.0 0.0 5.0 214 204 A 156 SER H A 154 GLU HA 1.0 0.0 5.0 215 205 A 153 TYR HA A 156 SER HA 1.0 0.0 5.0 216 206 A 155 LYS H A 153 TYR H 1.0 0.0 5.0 217 207 A 154 GLU H A 155 LYS H 1.0 0.0 4.0 218 208 A 157 ARG H A 155 LYS H 1.0 0.0 5.0 219 209 A 155 LYS H A 152 ASP HA 1.0 0.0 5.0 220 210 A 155 LYS H A 154 GLU HBy 1.0 0.0 5.0 221 211 A 155 LYS H A 154 GLU HBx 1.0 0.0 5.0 222 212 A 154 GLU H A 153 TYR H 1.0 0.0 4.0 223 213 A 154 GLU H A 152 ASP HA 1.0 0.0 4.0 224 214 A 153 TYR HA A 154 GLU H 1.0 0.0 5.0 225 215 A 154 GLU H A 153 TYR HBx 1.0 0.0 5.0 226 216 A 152 ASP HA A 153 TYR H 1.0 0.0 3.0 227 217 A 175 PHE HZ A 153 TYR HA 1.0 0.0 4.0 228 218 A 175 PHE HE% A 153 TYR HD% 1.0 0.0 5.0 229 219 A 175 PHE HZ A 153 TYR HD% 1.0 0.0 5.0 230 220 A 153 TYR HD% A 151 VAL HB 1.0 0.0 5.0 231 221 A 153 TYR HD% A 151 VAL HG2% 1.0 0.0 5.0 232 222 A 153 TYR HE% A 128 PHE H 1.0 0.0 5.0 233 223 A 175 PHE HZ A 153 TYR HE% 1.0 0.0 5.0 234 224 A 151 VAL HB A 153 TYR HE% 1.0 0.0 5.0 235 225 A 151 VAL HG2% A 153 TYR HE% 1.0 0.0 4.0 236 226 A 152 ASP H A 151 VAL HA 1.0 0.0 3.0 237 227 A 158 LEU HG A 152 ASP H 1.0 0.0 5.0 238 228 A 152 ASP H A 151 VAL HG1% 1.0 0.0 5.0 239 229 A 151 VAL H A 150 GLU HA 1.0 0.0 4.0 240 230 A 151 VAL H A 150 GLU HGy 1.0 0.0 5.0 241 231 A 149 GLU H A 150 GLU H 1.0 0.0 4.0 242 232 A 150 GLU H A 159 LYS H 1.0 0.0 4.0 243 233 A 150 GLU H A 149 GLU HA 1.0 0.0 5.0 244 234 A 148 VAL HA A 150 GLU H 1.0 0.0 5.0 245 235 A 150 GLU H A 149 GLU HGy 1.0 0.0 5.0 246 236 A 150 GLU H A 149 GLU HGx 1.0 0.0 5.0 247 237 A 150 GLU H A 159 LYS HBx 1.0 0.0 4.0 248 238 A 150 GLU H A 159 LYS HGx 1.0 0.0 5.0 249 239 A 148 VAL HGy% A 150 GLU HA 1.0 0.0 5.0 250 240 A 151 VAL H A 150 GLU HGx 1.0 0.0 5.0 251 241 A 149 GLU H A 148 VAL HA 1.0 0.0 4.0 252 242 A 149 GLU H A 147 VAL HGy% 1.0 0.0 5.0 253 243 A 161 SER H A 149 GLU HGy 1.0 0.0 5.0 254 244 A 161 SER H A 149 GLU HGx 1.0 0.0 5.0 255 245 A 160 VAL HA A 149 GLU HGx 1.0 0.0 5.0 256 246 A 148 VAL H A 131 GLY H 1.0 0.0 5.0 257 247 A 148 VAL H A 133 MET HA 1.0 0.0 4.0 258 248 A 147 VAL HA A 148 VAL H 1.0 0.0 4.0 259 249 A 148 VAL H A 132 GLU HA 1.0 0.0 5.0 260 250 A 148 VAL H A 132 GLU HB2 1.0 0.0 5.0 261 250 A 148 VAL H A 132 GLU HB3 1.0 0.0 5.0 262 251 A 148 VAL H A 134 VAL HGx% 1.0 0.0 5.0 263 252 A 151 VAL HG1% A 148 VAL HB 1.0 0.0 5.0 264 253 A 147 VAL HA A 148 VAL HGx% 1.0 0.0 5.0 265 254 A 160 VAL HA A 148 VAL HGx% 1.0 0.0 5.0 266 255 A 148 VAL HGx% A 134 VAL HGx% 1.0 0.0 5.0 267 256 A 149 GLU H A 148 VAL HGy% 1.0 0.0 5.0 268 257 A 148 VAL HGy% A 132 GLU H 1.0 0.0 5.0 269 258 A 150 GLU H A 148 VAL HGy% 1.0 0.0 4.0 270 259 A 160 VAL HA A 148 VAL HGy% 1.0 0.0 4.0 271 260 A 148 VAL HGy% A 130 PRO HA 1.0 0.0 3.0 272 261 A 148 VAL HGy% A 128 PHE HBx 1.0 0.0 4.0 273 262 A 146 GLY HAy A 147 VAL H 1.0 0.0 5.0 274 263 A 162 VAL HA A 147 VAL H 1.0 0.0 5.0 275 264 A 146 GLY HAx A 147 VAL H 1.0 0.0 4.0 276 265 A 147 VAL HA A 133 MET HA 1.0 0.0 3.0 277 266 A 133 MET HA A 147 VAL HB 1.0 0.0 5.0 278 267 A 148 VAL H A 147 VAL HGx% 1.0 0.0 4.0 279 268 A 133 MET HGx A 147 VAL HGx% 1.0 0.0 5.0 280 269 A 148 VAL H A 147 VAL HGy% 1.0 0.0 4.0 281 270 A 133 MET HA A 147 VAL HGy% 1.0 0.0 5.0 282 271 A 149 GLU HA A 147 VAL HGy% 1.0 0.0 5.0 283 272 A 148 VAL HA A 147 VAL HGy% 1.0 0.0 5.0 284 273 A 146 GLY H A 134 VAL H 1.0 0.0 4.0 285 274 A 146 GLY H A 145 ASN HA 1.0 0.0 4.0 286 275 A 133 MET HA A 146 GLY H 1.0 0.0 5.0 287 276 A 146 GLY H A 135 ARG HA 1.0 0.0 5.0 288 277 A 146 GLY H A 145 ASN HBx 1.0 0.0 5.0 289 278 A 134 VAL HB A 146 GLY H 1.0 0.0 6.0 290 279 A 146 GLY H A 136 VAL HGy% 1.0 0.0 5.0 291 280 A 160 VAL HGx% A 146 GLY HAy 1.0 0.0 5.0 292 281 A 160 VAL HGx% A 146 GLY HAx 1.0 0.0 5.0 293 282 A 145 ASN H A 144 PHE HA 1.0 0.0 3.0 294 283 A 144 PHE HBy A 145 ASN H 1.0 0.0 5.0 295 284 A 144 PHE HBx A 145 ASN H 1.0 0.0 5.0 296 285 A 145 ASN HA A 135 ARG HA 1.0 0.0 3.0 297 286 A 145 ASN HA A 135 ARG HGx 1.0 0.0 5.0 298 287 A 145 ASN HA A 136 VAL HGy% 1.0 0.0 5.0 299 288 A 144 PHE H A 143 ASP H 1.0 0.0 5.0 300 289 A 144 PHE H A 136 VAL H 1.0 0.0 5.0 301 290 A 144 PHE H A 143 ASP HA 1.0 0.0 3.0 302 291 A 144 PHE H A 142 ALA HA 1.0 0.0 5.0 303 292 A 144 PHE H A 136 VAL HB 1.0 0.0 4.0 304 293 A 144 PHE H A 142 ALA HB% 1.0 0.0 5.0 305 294 A 136 VAL HGx% A 144 PHE H 1.0 0.0 5.0 306 295 A 136 VAL HGy% A 144 PHE H 1.0 0.0 5.0 307 296 A 163 SER H A 144 PHE HBy 1.0 0.0 5.0 308 297 A 162 VAL HGy% A 144 PHE HBy 1.0 0.0 5.0 309 298 A 162 VAL HGy% A 144 PHE HBx 1.0 0.0 5.0 310 299 A 141 PHE HD% A 144 PHE HD% 1.0 0.0 5.0 311 300 A 144 PHE HD% A 141 PHE HA 1.0 0.0 4.0 312 301 A 144 PHE HD% A 141 PHE HBy 1.0 0.0 5.0 313 302 A 143 ASP H A 136 VAL H 1.0 0.0 5.0 314 303 A 143 ASP H A 137 ASN HA 1.0 0.0 4.0 315 304 A 143 ASP H A 142 ALA HA 1.0 0.0 4.0 316 305 A 143 ASP H A 136 VAL HB 1.0 0.0 5.0 317 306 A 143 ASP H A 142 ALA HB% 1.0 0.0 4.0 318 307 A 136 VAL HGx% A 143 ASP H 1.0 0.0 5.0 319 308 A 143 ASP HA A 136 VAL HB 1.0 0.0 6.0 320 309 A 142 ALA H A 141 PHE H 1.0 0.0 4.0 321 310 A 141 PHE HA A 142 ALA H 1.0 0.0 5.0 322 311 A 136 VAL HB A 142 ALA H 1.0 0.0 5.0 323 312 A 142 ALA HA A 136 VAL HB 1.0 0.0 5.0 324 313 A 136 VAL HGy% A 142 ALA HA 1.0 0.0 5.0 325 314 A 142 ALA HB% A 139 GLY H 1.0 0.0 4.0 326 315 A 142 ALA HB% A 137 ASN HA 1.0 0.0 4.0 327 316 A 142 ALA HB% A 138 ASP HA 1.0 0.0 3.0 328 317 A 136 VAL HGx% A 141 PHE H 1.0 0.0 5.0 329 318 A 136 VAL HGx% A 141 PHE HBy 1.0 0.0 5.0 330 319 A 141 PHE HD% A 144 PHE HBy 1.0 0.0 5.0 331 320 A 141 PHE HD% A 144 PHE HBx 1.0 0.0 5.0 332 321 A 141 PHE HD% A 162 VAL HB 1.0 0.0 5.0 333 322 A 141 PHE HD% A 164 ILE HG1y 1.0 0.0 5.0 334 323 A 141 PHE HD% A 162 VAL HGy% 1.0 0.0 5.0 335 324 A 171 VAL HGx% A 141 PHE HZ 1.0 0.0 4.0 336 325 A 139 GLY H A 138 ASP HA 1.0 0.0 3.0 337 326 A 137 ASN H A 138 ASP H 1.0 0.0 4.0 338 327 A 178 VAL HA A 138 ASP H 1.0 0.0 5.0 339 328 A 137 ASN HA A 138 ASP H 1.0 0.0 5.0 340 329 A 136 VAL HA A 138 ASP H 1.0 0.0 4.0 341 330 A 142 ALA HA A 138 ASP H 1.0 0.0 5.0 342 331 A 138 ASP H A 137 ASN HBx 1.0 0.0 5.0 343 332 A 142 ALA HB% A 138 ASP H 1.0 0.0 4.0 344 333 A 136 VAL HGx% A 138 ASP H 1.0 0.0 3.0 345 334 A 137 ASN H A 136 VAL HA 1.0 0.0 4.0 346 335 A 137 ASN H A 136 VAL HGx% 1.0 0.0 4.0 347 336 A 142 ALA HA A 137 ASN HA 1.0 0.0 4.0 348 337 A 137 ASN HD2x A 179 GLU HGy 1.0 0.0 5.0 349 338 A 179 GLU HGy A 137 ASN HD2y 1.0 0.0 5.0 350 339 A 145 ASN HA A 136 VAL H 1.0 0.0 4.0 351 340 A 136 VAL H A 135 ARG HGy 1.0 0.0 5.0 352 341 A 135 ARG HGx A 136 VAL H 1.0 0.0 5.0 353 342 A 136 VAL HB A 142 ALA HB% 1.0 0.0 5.0 354 343 A 136 VAL HGx% A 142 ALA HA 1.0 0.0 4.0 355 344 A 136 VAL HGx% A 141 PHE HBx 1.0 0.0 4.0 356 345 A 136 VAL HGx% A 142 ALA HB% 1.0 0.0 5.0 357 346 A 136 VAL HGx% A 173 LEU HDy% 1.0 0.0 5.0 358 347 A 145 ASN HA A 136 VAL HGy% 1.0 0.0 5.0 359 348 A 178 VAL HA A 136 VAL HGy% 1.0 0.0 5.0 360 349 A 141 PHE HBy A 136 VAL HGy% 1.0 0.0 5.0 361 350 A 141 PHE HBx A 136 VAL HGy% 1.0 0.0 5.0 362 351 A 160 VAL HGx% A 136 VAL HGy% 1.0 0.0 5.0 363 352 A 135 ARG H A 178 VAL HA 1.0 0.0 5.0 364 353 A 134 VAL HA A 135 ARG H 1.0 0.0 4.0 365 354 A 179 GLU HBy A 135 ARG H 1.0 0.0 5.0 366 355 A 135 ARG H A 134 VAL HB 1.0 0.0 4.0 367 356 A 135 ARG H A 178 VAL HB 1.0 0.0 4.0 368 357 A 135 ARG HA A 136 VAL H 1.0 0.0 5.0 369 358 A 179 GLU H A 135 ARG HBy 1.0 0.0 5.0 370 359 A 135 ARG HBy A 179 GLU HGx 1.0 0.0 5.0 371 360 A 181 ALA H A 134 VAL H 1.0 0.0 5.0 372 361 A 134 VAL H A 145 ASN HA 1.0 0.0 5.0 373 362 A 133 MET HA A 134 VAL H 1.0 0.0 4.0 374 363 A 147 VAL HA A 134 VAL H 1.0 0.0 4.0 375 364 A 146 GLY HAx A 134 VAL H 1.0 0.0 5.0 376 365 A 128 PHE HE% A 134 VAL HGy% 1.0 0.0 4.0 377 366 A 146 GLY HAx A 134 VAL HGx% 1.0 0.0 5.0 378 367 A 178 VAL HB A 134 VAL HGx% 1.0 0.0 5.0 379 368 A 134 VAL HGx% A 180 LYS HG2 1.0 0.0 6.0 380 368 A 180 LYS HG3 A 134 VAL HGx% 1.0 0.0 6.0 381 369 A 134 VAL H A 133 MET H 1.0 0.0 5.0 382 370 A 132 GLU HA A 133 MET H 1.0 0.0 3.0 383 371 A 133 MET H A 132 GLU HB2 1.0 0.0 4.0 384 371 A 132 GLU HB3 A 133 MET H 1.0 0.0 4.0 385 372 A 181 ALA HB% A 133 MET H 1.0 0.0 5.0 386 373 A 147 VAL H A 133 MET HA 1.0 0.0 5.0 387 374 A 133 MET HB3 A 147 VAL HGx% 1.0 0.0 4.0 388 374 A 133 MET HB2 A 147 VAL HGx% 1.0 0.0 4.0 389 375 A 133 MET HGy A 147 VAL HGx% 1.0 0.0 5.0 390 376 A 133 MET HGx A 134 VAL H 1.0 0.0 5.0 391 377 A 147 VAL HA A 133 MET HE% 1.0 0.0 5.0 392 378 A 146 GLY HAy A 133 MET HE% 1.0 0.0 5.0 393 379 A 146 GLY HAx A 133 MET HE% 1.0 0.0 5.0 394 380 A 181 ALA HB% A 133 MET HE% 1.0 0.0 4.0 395 381 A 133 MET HE% A 147 VAL HGx% 1.0 0.0 4.0 396 382 A 131 GLY H A 132 GLU H 1.0 0.0 2.7 397 383 A 148 VAL H A 132 GLU H 1.0 0.0 4.0 398 384 A 132 GLU H A 131 GLY HAy 1.0 0.0 5.0 399 385 A 132 GLU H A 130 PRO HA 1.0 0.0 4.0 400 386 A 132 GLU H A 131 GLY HAx 1.0 0.0 5.0 401 387 A 132 GLU H A 147 VAL HGy% 1.0 0.0 4.0 402 388 A 132 GLU HA A 147 VAL HGx% 1.0 0.0 6.0 403 388 A 132 GLU HA A 147 VAL HGy% 1.0 0.0 6.0 404 389 A 129 GLU H A 132 GLU HB2 1.0 0.0 5.0 405 389 A 132 GLU HB3 A 129 GLU H 1.0 0.0 5.0 406 390 A 128 PHE H A 132 GLU HB2 1.0 0.0 6.0 407 390 A 128 PHE H A 132 GLU HB3 1.0 0.0 6.0 408 391 A 148 VAL HGx% A 132 GLU HB2 1.0 0.0 4.0 409 391 A 148 VAL HGx% A 132 GLU HB3 1.0 0.0 4.0 410 392 A 128 PHE HE% A 132 GLU HB2 1.0 0.0 6.0 411 392 A 128 PHE HE% A 132 GLU HB3 1.0 0.0 6.0 412 393 A 131 GLY H A 130 PRO HA 1.0 0.0 4.0 413 394 A 131 GLY H A 130 PRO HBy 1.0 0.0 5.0 414 395 A 148 VAL HGy% A 130 PRO HBy 1.0 0.0 5.0 415 396 A 128 PHE HD% A 129 GLU H 1.0 0.0 5.0 416 397 A 129 GLU H A 128 PHE HA 1.0 0.0 3.0 417 398 A 129 GLU H A 132 GLU HG2 1.0 0.0 4.0 418 398 A 129 GLU H A 132 GLU HG3 1.0 0.0 4.0 419 399 A 129 GLU HA A 130 PRO HDy 1.0 0.0 4.0 420 400 A 130 PRO HDy A 129 GLU HG2 1.0 0.0 5.0 421 400 A 130 PRO HDy A 129 GLU HG3 1.0 0.0 5.0 422 401 A 128 PHE H A 127 LEU H 1.0 0.0 5.0 423 402 A 128 PHE H A 127 LEU HA 1.0 0.0 3.0 424 403 A 128 PHE H A 126 THR HA 1.0 0.0 5.0 425 404 A 128 PHE HBy A 148 VAL HGy% 1.0 0.0 5.0 426 405 A 151 VAL HG1% A 128 PHE HBy 1.0 0.0 5.0 427 406 A 151 VAL HG1% A 128 PHE HBx 1.0 0.0 5.0 428 407 A 128 PHE HD% A 180 LYS HG2 1.0 0.0 5.0 429 407 A 180 LYS HG3 A 128 PHE HD% 1.0 0.0 5.0 430 408 A 128 PHE HD% A 134 VAL HGx% 1.0 0.0 5.0 431 409 A 128 PHE HZ A 179 GLU HA 1.0 0.0 5.0 432 410 A 128 PHE HZ A 180 LYS HG2 1.0 0.0 5.0 433 410 A 128 PHE HZ A 180 LYS HG3 1.0 0.0 5.0 434 411 A 127 LEU H A 126 THR HA 1.0 0.0 4.0 435 412 A 180 LYS HEx A 127 LEU HA 1.0 0.0 5.0 436 413 A 127 LEU HG A 125 LYS HBy 1.0 0.0 4.0 437 414 A 126 THR H A 125 LYS H 1.0 0.0 5.0 438 415 A 125 LYS HBy A 126 THR H 1.0 0.0 5.0 439 416 A 126 THR H A 125 LYS HBx 1.0 0.0 5.0 440 417 A 126 THR HA A 180 LYS HBy 1.0 0.0 5.0 441 418 A 125 LYS H A 124 PRO HA 1.0 0.0 4.0 442 419 A 126 THR H A 125 LYS HA 1.0 0.0 5.0 443 420 A 124 PRO HA A 123 ARG H 1.0 0.0 5.0 444 421 A 125 LYS HBx A 124 PRO HA 1.0 0.0 5.0 445 422 A 125 LYS H A 124 PRO HBy 1.0 0.0 5.0 446 423 A 162 VAL HGx% A 145 ASN H 1.0 0.0 5.0 447 424 A 162 VAL H A 162 VAL HB 1.0 0.0 3.0 448 425 A 128 PHE HD% A 158 LEU HDy% 1.0 0.0 5.0 449 426 A 128 PHE HE% A 158 LEU HDy% 1.0 0.0 5.0 450 427 A 158 LEU HA A 158 LEU HDy% 1.0 0.0 3.0 451 428 A 175 PHE HD% A 158 LEU HDy% 1.0 0.0 3.0 452 429 A 175 PHE HE% A 158 LEU HDy% 1.0 0.0 3.0 453 430 A 174 ASP HA A 158 LEU HDy% 1.0 0.0 5.0 454 431 A 128 PHE HBy A 158 LEU HDy% 1.0 0.0 5.0 455 432 A 128 PHE HBx A 158 LEU HDy% 1.0 0.0 5.0 456 433 A 136 VAL H A 136 VAL HB 1.0 0.0 3.0 457 434 A 147 VAL H A 147 VAL HB 1.0 0.0 3.0 458 435 A 139 GLY HAx A 142 ALA H 1.0 0.0 5.0 459 436 A 142 ALA H A 139 GLY H 1.0 0.0 5.0 460 437 A 150 GLU H A 159 LYS HGy 1.0 0.0 5.0 461 438 A 150 GLU H A 159 LYS HGx 1.0 0.0 5.0 462 439 A 174 ASP H A 173 LEU HBy 1.0 0.0 3.0 463 440 A 166 GLY H A 166 GLY HAx 1.0 0.0 2.5 464 441 A 134 VAL HGx% A 134 VAL H 1.0 0.0 3.0 465 442 A 134 VAL HA A 134 VAL HGy% 1.0 0.0 3.0 466 443 A 133 MET HA A 134 VAL HGx% 1.0 0.0 4.0 467 444 A 158 LEU HDx% A 134 VAL HGx% 1.0 0.0 5.0 468 445 A 134 VAL HGy% A 158 LEU HDx% 1.0 0.0 4.0 469 446 A 148 VAL HGx% A 148 VAL H 1.0 0.0 3.0 470 447 A 148 VAL HA A 148 VAL HGy% 1.0 0.0 3.0 471 448 A 160 VAL HA A 160 VAL HGy% 1.0 0.0 3.0 472 449 A 160 VAL HGx% A 160 VAL HA 1.0 0.0 3.0 473 450 A 178 VAL HGy% A 178 VAL H 1.0 0.0 3.0 474 451 A 178 VAL HA A 178 VAL HGx% 1.0 0.0 3.0 475 452 A 134 VAL HB A 134 VAL H 1.0 0.0 3.5 476 453 A 135 ARG H A 134 VAL HB 1.0 0.0 3.0 477 454 A 137 ASN HA A 137 ASN HBy 1.0 0.0 3.0 478 455 A 137 ASN HA A 137 ASN HBx 1.0 0.0 3.0 479 456 A 150 GLU H A 149 GLU HBx 1.0 0.0 3.0 480 457 A 151 VAL HB A 151 VAL H 1.0 0.0 3.0 481 458 A 160 VAL H A 160 VAL HB 1.0 0.0 3.0 482 459 A 162 VAL HA A 162 VAL HGx% 1.0 0.0 3.0 483 460 A 162 VAL HGy% A 162 VAL HA 1.0 0.0 3.0 484 461 A 128 PHE HE% A 126 THR HG2% 1.0 0.0 5.0 485 462 A 128 PHE HZ A 126 THR HG2% 1.0 0.0 5.0 486 463 A 126 THR H A 125 LYS HA 1.0 0.0 3.0 487 464 A 125 LYS H A 124 PRO HA 1.0 0.0 3.0 488 465 A 141 PHE H A 139 GLY HAy 1.0 0.0 5.0 489 466 A 144 PHE HD% A 145 ASN H 1.0 0.0 4.0 490 467 A 160 VAL H A 159 LYS H 1.0 3.5 8.5 491 468 A 180 LYS H A 179 GLU H 1.0 3.5 8.5 492 469 A 128 PHE H A 127 LEU H 1.0 3.5 8.5 493 470 A 128 PHE H A 129 GLU H 1.0 3.5 8.5 494 471 A 139 GLY H A 138 ASP H 1.0 3.5 8.5 495 472 A 141 PHE HBy A 142 ALA H 1.0 3.0 8.0 496 473 A 141 PHE HBx A 142 ALA H 1.0 3.0 8.0 497 474 A 164 ILE H A 163 SER H 1.0 4.0 9.0 498 475 A 164 ILE H A 165 PHE H 1.0 3.5 8.5 499 476 A 135 ARG H A 136 VAL H 1.0 4.0 9.0 500 477 A 167 ARG H A 166 GLY HAx 1.0 3.0 8.0 501 478 A 167 ARG H A 166 GLY HAy 1.0 3.0 8.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 181 ALA H A 133 MET O 1.0 0.0 2.3 2 2 A 133 MET O A 181 ALA N 1.0 0.0 3.3 3 3 A 148 VAL H A 132 GLU O 1.0 0.0 2.3 4 4 A 132 GLU O A 148 VAL N 1.0 0.0 3.3 5 5 A 132 GLU H A 129 GLU O 1.0 0.0 2.3 6 6 A 129 GLU O A 132 GLU N 1.0 0.0 3.3 7 7 A 134 VAL H A 146 GLY O 1.0 0.0 2.3 8 8 A 146 GLY O A 134 VAL N 1.0 0.0 3.3 9 9 A 146 GLY H A 134 VAL O 1.0 0.0 2.3 10 10 A 134 VAL O A 146 GLY N 1.0 0.0 3.3 11 11 A 135 ARG H A 179 GLU O 1.0 0.0 2.3 12 12 A 179 GLU O A 135 ARG N 1.0 0.0 3.3 13 13 A 179 GLU H A 135 ARG O 1.0 0.0 2.3 14 14 A 135 ARG O A 179 GLU N 1.0 0.0 3.3 15 15 A 137 ASN H A 177 GLN O 1.0 0.0 2.3 16 16 A 177 GLN O A 137 ASN N 1.0 0.0 3.3 17 17 A 149 GLU H A 159 LYS O 1.0 0.0 2.3 18 18 A 159 LYS O A 149 GLU N 1.0 0.0 3.3 19 19 A 159 LYS H A 150 GLU O 1.0 0.0 2.3 20 20 A 150 GLU O A 159 LYS N 1.0 0.0 3.3 21 21 A 152 ASP H A 157 ARG O 1.0 0.0 2.3 22 22 A 157 ARG O A 152 ASP N 1.0 0.0 3.3 23 23 A 157 ARG H A 152 ASP O 1.0 0.0 2.3 24 24 A 152 ASP O A 157 ARG N 1.0 0.0 3.3 25 25 A 158 LEU H A 173 LEU O 1.0 0.0 2.3 26 26 A 173 LEU O A 158 LEU N 1.0 0.0 3.3 27 27 A 173 LEU H A 158 LEU O 1.0 0.0 2.3 28 28 A 158 LEU O A 173 LEU N 1.0 0.0 3.3 29 29 A 160 VAL H A 171 VAL O 1.0 0.0 2.3 30 30 A 171 VAL O A 160 VAL N 1.0 0.0 3.3 31 31 A 171 VAL H A 160 VAL O 1.0 0.0 2.3 32 32 A 160 VAL O A 171 VAL N 1.0 0.0 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 128 PHE N A 128 PHE CA A 128 PHE CB A 128 PHE HB3 1.0 160.0 200.0 . 2 2 A 128 PHE N A 128 PHE CA A 128 PHE CB A 128 PHE HB3 1.0 160.0 200.0 . 3 3 A 128 PHE HA A 128 PHE CA A 128 PHE CB A 128 PHE HB2 1.0 160.0 200.0 . 4 4 A 128 PHE HA A 128 PHE CA A 128 PHE CB A 128 PHE HB2 1.0 160.0 200.0 . 5 5 A 134 VAL N A 134 VAL CA A 134 VAL CB A 134 VAL CG2 1.0 160.0 200.0 . 6 6 A 134 VAL N A 134 VAL CA A 134 VAL CB A 134 VAL CG2 1.0 160.0 200.0 . 7 7 A 135 ARG HA A 135 ARG CA A 135 ARG CB A 135 ARG HB2 1.0 160.0 200.0 . 8 8 A 135 ARG HA A 135 ARG CA A 135 ARG CB A 135 ARG HB2 1.0 160.0 200.0 . 9 9 A 137 ASN N A 137 ASN CA A 137 ASN CB A 137 ASN HB2 1.0 160.0 200.0 . 10 10 A 137 ASN N A 137 ASN CA A 137 ASN CB A 137 ASN HB2 1.0 160.0 200.0 . 11 11 A 137 ASN HA A 137 ASN CA A 137 ASN CB A 137 ASN CG 1.0 160.0 200.0 . 12 12 A 137 ASN HA A 137 ASN CA A 137 ASN CB A 137 ASN CG 1.0 160.0 200.0 . 13 13 A 141 PHE N A 141 PHE CA A 141 PHE CB A 141 PHE HB3 1.0 160.0 200.0 . 14 14 A 141 PHE N A 141 PHE CA A 141 PHE CB A 141 PHE HB3 1.0 160.0 200.0 . 15 15 A 141 PHE HA A 141 PHE CA A 141 PHE CB A 141 PHE HB2 1.0 160.0 200.0 . 16 16 A 141 PHE HA A 141 PHE CA A 141 PHE CB A 141 PHE HB2 1.0 160.0 200.0 . 17 17 A 149 GLU N A 149 GLU CA A 149 GLU CB A 149 GLU HB3 1.0 160.0 200.0 . 18 18 A 149 GLU N A 149 GLU CA A 149 GLU CB A 149 GLU HB3 1.0 160.0 200.0 . 19 19 A 149 GLU HA A 149 GLU CA A 149 GLU CB A 149 GLU HB2 1.0 160.0 200.0 . 20 20 A 149 GLU HA A 149 GLU CA A 149 GLU CB A 149 GLU HB2 1.0 160.0 200.0 . 21 21 A 152 ASP N A 152 ASP CA A 152 ASP CB A 152 ASP HB3 1.0 160.0 200.0 . 22 22 A 152 ASP N A 152 ASP CA A 152 ASP CB A 152 ASP HB3 1.0 160.0 200.0 . 23 23 A 152 ASP HA A 152 ASP CA A 152 ASP CB A 152 ASP HB2 1.0 160.0 200.0 . 24 24 A 152 ASP HA A 152 ASP CA A 152 ASP CB A 152 ASP HB2 1.0 160.0 200.0 . 25 25 A 153 TYR N A 153 TYR CA A 153 TYR CB A 153 TYR HB3 1.0 160.0 200.0 . 26 26 A 153 TYR N A 153 TYR CA A 153 TYR CB A 153 TYR HB3 1.0 160.0 200.0 . 27 27 A 153 TYR HA A 153 TYR CA A 153 TYR CB A 153 TYR HB2 1.0 160.0 200.0 . 28 28 A 153 TYR HA A 153 TYR CA A 153 TYR CB A 153 TYR HB2 1.0 160.0 200.0 . 29 29 A 160 VAL N A 160 VAL CA A 160 VAL CB A 160 VAL CG1 1.0 160.0 200.0 CHI1 30 30 A 160 VAL N A 160 VAL CA A 160 VAL CB A 160 VAL CG1 1.0 160.0 200.0 CHI1 31 31 A 174 ASP N A 174 ASP CA A 174 ASP CB A 174 ASP HB3 1.0 160.0 200.0 . 32 32 A 174 ASP N A 174 ASP CA A 174 ASP CB A 174 ASP HB3 1.0 160.0 200.0 . 33 33 A 174 ASP HA A 174 ASP CA A 174 ASP CB A 174 ASP HB2 1.0 160.0 200.0 . 34 34 A 174 ASP HA A 174 ASP CA A 174 ASP CB A 174 ASP HB2 1.0 160.0 200.0 . stop_ save_